USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 497 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 Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -1.03 K(o=-1,f=-2.3) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 29 THR OG1 : rot 67:sc= 1.18 USER MOD Single : A 33 SER OG : rot 83:sc= 0.0978 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.2) USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00203) USER MOD Single : A 44 CYS SG : rot 90:sc= -0.974 USER MOD Single : A 45 GLN : amide:sc= 0.463 X(o=0.46,f=-0.0088) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.852 (180deg=-1.24) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.0131 F(o=-0.7,f=-0.013) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.108 F(o=-1.6!,f=-0.11) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 141:sc= -1.48 (180deg=-3.65!) USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= -0.0264 (180deg=-0.225) USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= -1.57 (180deg=-3.14!) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.0461 (180deg=-0.334) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -120:sc= -0.0206 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -160:sc= -0.494 USER MOD Single : A 73 CYS SG : rot -66:sc= -0.518 USER MOD ----------------------------------------------------------------- ATOM 248 N GLU A 17 -3.461 -11.570 -2.928 1.00 0.00 N ATOM 249 CA GLU A 17 -2.323 -10.640 -3.054 1.00 0.00 C ATOM 250 C GLU A 17 -2.502 -9.689 -4.246 1.00 0.00 C ATOM 251 O GLU A 17 -2.044 -8.553 -4.190 1.00 0.00 O ATOM 252 CB GLU A 17 -0.979 -11.414 -3.162 1.00 0.00 C ATOM 253 CG GLU A 17 -0.491 -12.082 -1.849 1.00 0.00 C ATOM 254 CD GLU A 17 -1.447 -13.146 -1.277 1.00 0.00 C ATOM 255 OE1 GLU A 17 -1.702 -14.153 -1.958 1.00 0.00 O ATOM 256 OE2 GLU A 17 -1.936 -12.991 -0.146 1.00 0.00 O ATOM 0 HA GLU A 17 -2.295 -10.034 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.083 -12.185 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.209 -10.725 -3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.479 -12.544 -2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.339 -11.307 -1.097 1.00 0.00 H new ATOM 263 N GLY A 18 -3.100 -10.193 -5.342 1.00 0.00 N ATOM 264 CA GLY A 18 -3.493 -9.358 -6.477 1.00 0.00 C ATOM 265 C GLY A 18 -4.424 -8.207 -6.118 1.00 0.00 C ATOM 266 O GLY A 18 -4.131 -7.051 -6.440 1.00 0.00 O ATOM 0 H GLY A 18 -3.320 -11.182 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.595 -8.951 -6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.981 -9.986 -7.222 1.00 0.00 H new ATOM 270 N HIS A 19 -5.533 -8.535 -5.432 1.00 0.00 N ATOM 271 CA HIS A 19 -6.550 -7.540 -5.021 1.00 0.00 C ATOM 272 C HIS A 19 -5.965 -6.590 -3.972 1.00 0.00 C ATOM 273 O HIS A 19 -6.267 -5.391 -3.960 1.00 0.00 O ATOM 274 CB HIS A 19 -7.828 -8.231 -4.476 1.00 0.00 C ATOM 275 CG HIS A 19 -8.683 -8.861 -5.546 1.00 0.00 C ATOM 276 ND1 HIS A 19 -8.625 -10.193 -5.876 1.00 0.00 N ATOM 277 CD2 HIS A 19 -9.624 -8.326 -6.363 1.00 0.00 C ATOM 278 CE1 HIS A 19 -9.485 -10.444 -6.844 1.00 0.00 C ATOM 279 NE2 HIS A 19 -10.102 -9.330 -7.150 1.00 0.00 N ATOM 0 H HIS A 19 -5.752 -9.489 -5.147 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.834 -6.964 -5.901 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.537 -8.998 -3.758 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.424 -7.497 -3.934 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.937 -7.293 -6.386 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -9.652 -11.406 -7.306 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -10.824 -9.230 -7.863 1.00 0.00 H new ATOM 288 N LEU A 20 -5.118 -7.155 -3.115 1.00 0.00 N ATOM 289 CA LEU A 20 -4.440 -6.430 -2.042 1.00 0.00 C ATOM 290 C LEU A 20 -3.483 -5.369 -2.638 1.00 0.00 C ATOM 291 O LEU A 20 -3.579 -4.188 -2.301 1.00 0.00 O ATOM 292 CB LEU A 20 -3.684 -7.457 -1.129 1.00 0.00 C ATOM 293 CG LEU A 20 -3.675 -7.169 0.407 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.919 -5.876 0.752 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.109 -7.141 0.974 1.00 0.00 C ATOM 0 H LEU A 20 -4.879 -8.146 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.167 -5.898 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.127 -8.440 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.650 -7.515 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.136 -7.989 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.940 -5.719 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.885 -5.959 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.395 -5.032 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.073 -6.939 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.682 -6.359 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.587 -8.106 0.803 1.00 0.00 H new ATOM 307 N GLU A 21 -2.613 -5.819 -3.569 1.00 0.00 N ATOM 308 CA GLU A 21 -1.557 -4.986 -4.184 1.00 0.00 C ATOM 309 C GLU A 21 -2.162 -3.846 -5.002 1.00 0.00 C ATOM 310 O GLU A 21 -1.743 -2.692 -4.859 1.00 0.00 O ATOM 311 CB GLU A 21 -0.642 -5.855 -5.095 1.00 0.00 C ATOM 312 CG GLU A 21 0.549 -5.094 -5.713 1.00 0.00 C ATOM 313 CD GLU A 21 1.439 -5.971 -6.598 1.00 0.00 C ATOM 314 OE1 GLU A 21 2.348 -6.652 -6.069 1.00 0.00 O ATOM 315 OE2 GLU A 21 1.224 -5.998 -7.829 1.00 0.00 O ATOM 0 H GLU A 21 -2.624 -6.778 -3.917 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.961 -4.557 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.259 -6.692 -4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.245 -6.276 -5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.170 -4.260 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.153 -4.668 -4.912 1.00 0.00 H new ATOM 322 N GLN A 22 -3.162 -4.191 -5.849 1.00 0.00 N ATOM 323 CA GLN A 22 -3.815 -3.217 -6.738 1.00 0.00 C ATOM 324 C GLN A 22 -4.493 -2.112 -5.926 1.00 0.00 C ATOM 325 O GLN A 22 -4.451 -0.941 -6.310 1.00 0.00 O ATOM 326 CB GLN A 22 -4.809 -3.893 -7.738 1.00 0.00 C ATOM 327 CG GLN A 22 -6.087 -4.572 -7.166 1.00 0.00 C ATOM 328 CD GLN A 22 -7.269 -3.640 -6.837 1.00 0.00 C ATOM 329 OE1 GLN A 22 -8.058 -3.915 -5.928 1.00 0.00 O ATOM 330 NE2 GLN A 22 -7.428 -2.561 -7.585 1.00 0.00 N ATOM 0 H GLN A 22 -3.530 -5.139 -5.930 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.035 -2.760 -7.347 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.128 -3.134 -8.453 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.255 -4.646 -8.298 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.429 -5.317 -7.885 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.812 -5.108 -6.258 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.763 -2.355 -8.330 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.216 -1.935 -7.417 1.00 0.00 H new ATOM 339 N ARG A 23 -5.091 -2.493 -4.788 1.00 0.00 N ATOM 340 CA ARG A 23 -5.815 -1.568 -3.923 1.00 0.00 C ATOM 341 C ARG A 23 -4.838 -0.625 -3.186 1.00 0.00 C ATOM 342 O ARG A 23 -5.136 0.558 -3.043 1.00 0.00 O ATOM 343 CB ARG A 23 -6.686 -2.385 -2.939 1.00 0.00 C ATOM 344 CG ARG A 23 -7.779 -1.582 -2.219 1.00 0.00 C ATOM 345 CD ARG A 23 -8.779 -0.915 -3.176 1.00 0.00 C ATOM 346 NE ARG A 23 -9.446 -1.885 -4.068 1.00 0.00 N ATOM 347 CZ ARG A 23 -10.521 -1.625 -4.831 1.00 0.00 C ATOM 348 NH1 ARG A 23 -11.097 -0.423 -4.832 1.00 0.00 N ATOM 349 NH2 ARG A 23 -11.004 -2.572 -5.617 1.00 0.00 N ATOM 0 H ARG A 23 -5.083 -3.454 -4.446 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.467 -0.932 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.157 -3.202 -3.486 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.035 -2.837 -2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.321 -2.245 -1.544 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.309 -0.814 -1.604 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.533 -0.383 -2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.258 -0.171 -3.779 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.059 -2.828 -4.108 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.722 0.323 -4.245 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.912 -0.249 -5.420 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.561 -3.490 -5.640 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.820 -2.384 -6.200 1.00 0.00 H new ATOM 363 N ILE A 24 -3.663 -1.160 -2.749 1.00 0.00 N ATOM 364 CA ILE A 24 -2.587 -0.343 -2.132 1.00 0.00 C ATOM 365 C ILE A 24 -2.125 0.751 -3.119 1.00 0.00 C ATOM 366 O ILE A 24 -2.113 1.942 -2.770 1.00 0.00 O ATOM 367 CB ILE A 24 -1.332 -1.202 -1.686 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.721 -2.249 -0.597 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.172 -0.297 -1.184 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.589 -3.180 -0.179 1.00 0.00 C ATOM 0 H ILE A 24 -3.441 -2.153 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.013 0.103 -1.233 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.981 -1.741 -2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.083 -1.720 0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.550 -2.851 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.672 -0.919 -0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.137 0.376 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.511 0.288 -0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.950 -3.873 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.240 -3.741 -1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.234 -2.592 0.228 1.00 0.00 H new ATOM 382 N LEU A 25 -1.787 0.325 -4.369 1.00 0.00 N ATOM 383 CA LEU A 25 -1.360 1.231 -5.456 1.00 0.00 C ATOM 384 C LEU A 25 -2.419 2.312 -5.716 1.00 0.00 C ATOM 385 O LEU A 25 -2.079 3.485 -5.836 1.00 0.00 O ATOM 386 CB LEU A 25 -1.113 0.435 -6.773 1.00 0.00 C ATOM 387 CG LEU A 25 0.082 -0.557 -6.780 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.104 -1.395 -8.068 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.416 0.182 -6.589 1.00 0.00 C ATOM 0 H LEU A 25 -1.805 -0.657 -4.643 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.431 1.706 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.019 -0.124 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.963 1.152 -7.580 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.052 -1.238 -5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.952 -2.079 -8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.821 -1.966 -8.146 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.197 -0.735 -8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.235 -0.537 -6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.554 0.899 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.407 0.709 -5.635 1.00 0.00 H new ATOM 401 N GLN A 26 -3.701 1.888 -5.732 1.00 0.00 N ATOM 402 CA GLN A 26 -4.848 2.756 -6.055 1.00 0.00 C ATOM 403 C GLN A 26 -4.971 3.913 -5.044 1.00 0.00 C ATOM 404 O GLN A 26 -5.037 5.075 -5.443 1.00 0.00 O ATOM 405 CB GLN A 26 -6.152 1.917 -6.066 1.00 0.00 C ATOM 406 CG GLN A 26 -7.426 2.735 -6.353 1.00 0.00 C ATOM 407 CD GLN A 26 -8.719 1.966 -6.094 1.00 0.00 C ATOM 408 OE1 GLN A 26 -8.781 0.749 -6.252 1.00 0.00 O ATOM 409 NE2 GLN A 26 -9.750 2.671 -5.657 1.00 0.00 N ATOM 0 H GLN A 26 -3.968 0.927 -5.519 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.686 3.188 -7.043 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.060 1.133 -6.817 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.261 1.422 -5.101 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.418 3.633 -5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.410 3.063 -7.392 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.664 3.680 -5.537 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.631 2.205 -5.440 1.00 0.00 H new ATOM 418 N VAL A 27 -4.965 3.559 -3.743 1.00 0.00 N ATOM 419 CA VAL A 27 -5.073 4.527 -2.628 1.00 0.00 C ATOM 420 C VAL A 27 -3.939 5.574 -2.693 1.00 0.00 C ATOM 421 O VAL A 27 -4.175 6.782 -2.522 1.00 0.00 O ATOM 422 CB VAL A 27 -5.039 3.772 -1.243 1.00 0.00 C ATOM 423 CG1 VAL A 27 -5.028 4.753 -0.052 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.223 2.782 -1.119 1.00 0.00 C ATOM 0 H VAL A 27 -4.885 2.591 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.025 5.049 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.109 3.205 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.005 4.191 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.146 5.391 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.925 5.371 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.175 2.276 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.163 3.328 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.166 2.044 -1.919 1.00 0.00 H new ATOM 434 N LEU A 28 -2.724 5.086 -3.000 1.00 0.00 N ATOM 435 CA LEU A 28 -1.516 5.920 -3.101 1.00 0.00 C ATOM 436 C LEU A 28 -1.572 6.839 -4.342 1.00 0.00 C ATOM 437 O LEU A 28 -1.041 7.952 -4.302 1.00 0.00 O ATOM 438 CB LEU A 28 -0.251 5.017 -3.135 1.00 0.00 C ATOM 439 CG LEU A 28 0.048 4.212 -1.833 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.183 3.205 -2.052 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.371 5.147 -0.652 1.00 0.00 C ATOM 0 H LEU A 28 -2.553 4.098 -3.186 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.465 6.563 -2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.354 4.311 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.613 5.643 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.856 3.657 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.369 2.659 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.901 2.504 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.088 3.736 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.574 4.552 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.247 5.749 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.479 5.803 -0.464 1.00 0.00 H new ATOM 453 N THR A 29 -2.207 6.358 -5.443 1.00 0.00 N ATOM 454 CA THR A 29 -2.380 7.135 -6.687 1.00 0.00 C ATOM 455 C THR A 29 -3.406 8.271 -6.523 1.00 0.00 C ATOM 456 O THR A 29 -3.121 9.419 -6.885 1.00 0.00 O ATOM 457 CB THR A 29 -2.831 6.215 -7.868 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.921 5.116 -8.017 1.00 0.00 O ATOM 459 CG2 THR A 29 -2.912 6.984 -9.205 1.00 0.00 C ATOM 0 H THR A 29 -2.610 5.422 -5.487 1.00 0.00 H new ATOM 0 HA THR A 29 -1.407 7.572 -6.912 1.00 0.00 H new ATOM 0 HB THR A 29 -3.828 5.848 -7.623 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.991 4.525 -7.238 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.229 6.305 -9.997 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.632 7.797 -9.114 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.932 7.393 -9.449 1.00 0.00 H new ATOM 467 N GLU A 30 -4.600 7.946 -5.971 1.00 0.00 N ATOM 468 CA GLU A 30 -5.714 8.912 -5.819 1.00 0.00 C ATOM 469 C GLU A 30 -5.297 10.064 -4.890 1.00 0.00 C ATOM 470 O GLU A 30 -5.672 11.216 -5.111 1.00 0.00 O ATOM 471 CB GLU A 30 -6.976 8.192 -5.264 1.00 0.00 C ATOM 472 CG GLU A 30 -7.514 7.055 -6.161 1.00 0.00 C ATOM 473 CD GLU A 30 -8.639 6.255 -5.487 1.00 0.00 C ATOM 474 OE1 GLU A 30 -8.337 5.453 -4.578 1.00 0.00 O ATOM 475 OE2 GLU A 30 -9.827 6.429 -5.840 1.00 0.00 O ATOM 0 H GLU A 30 -4.817 7.013 -5.621 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.955 9.328 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.742 7.782 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.766 8.929 -5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.883 7.478 -7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.697 6.381 -6.417 1.00 0.00 H new ATOM 482 N ALA A 31 -4.503 9.719 -3.859 1.00 0.00 N ATOM 483 CA ALA A 31 -3.865 10.695 -2.968 1.00 0.00 C ATOM 484 C ALA A 31 -2.732 11.437 -3.693 1.00 0.00 C ATOM 485 O ALA A 31 -2.534 12.639 -3.484 1.00 0.00 O ATOM 486 CB ALA A 31 -3.317 9.980 -1.735 1.00 0.00 C ATOM 0 H ALA A 31 -4.288 8.750 -3.623 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.611 11.428 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.843 10.706 -1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.134 9.487 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.582 9.236 -2.042 1.00 0.00 H new ATOM 492 N GLY A 32 -1.989 10.683 -4.533 1.00 0.00 N ATOM 493 CA GLY A 32 -0.827 11.202 -5.258 1.00 0.00 C ATOM 494 C GLY A 32 0.296 11.667 -4.343 1.00 0.00 C ATOM 495 O GLY A 32 1.129 12.475 -4.745 1.00 0.00 O ATOM 0 H GLY A 32 -2.184 9.700 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.447 10.427 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.142 12.035 -5.887 1.00 0.00 H new ATOM 499 N SER A 33 0.310 11.131 -3.111 1.00 0.00 N ATOM 500 CA SER A 33 1.137 11.634 -1.999 1.00 0.00 C ATOM 501 C SER A 33 1.452 10.475 -1.014 1.00 0.00 C ATOM 502 O SER A 33 0.812 9.410 -1.099 1.00 0.00 O ATOM 503 CB SER A 33 0.368 12.781 -1.275 1.00 0.00 C ATOM 504 OG SER A 33 0.085 13.858 -2.153 1.00 0.00 O ATOM 0 H SER A 33 -0.260 10.325 -2.855 1.00 0.00 H new ATOM 0 HA SER A 33 2.081 12.024 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.564 12.392 -0.864 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.961 13.143 -0.435 1.00 0.00 H new ATOM 0 HG SER A 33 -0.722 13.655 -2.670 1.00 0.00 H new ATOM 510 N PRO A 34 2.460 10.642 -0.082 1.00 0.00 N ATOM 511 CA PRO A 34 2.715 9.656 0.998 1.00 0.00 C ATOM 512 C PRO A 34 1.482 9.447 1.914 1.00 0.00 C ATOM 513 O PRO A 34 1.027 10.387 2.568 1.00 0.00 O ATOM 514 CB PRO A 34 3.912 10.268 1.782 1.00 0.00 C ATOM 515 CG PRO A 34 4.577 11.205 0.812 1.00 0.00 C ATOM 516 CD PRO A 34 3.453 11.759 -0.039 1.00 0.00 C ATOM 0 HA PRO A 34 2.928 8.663 0.603 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.571 10.798 2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.601 9.493 2.117 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.105 12.003 1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.313 10.682 0.201 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.024 12.660 0.400 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.800 12.025 -1.037 1.00 0.00 H new ATOM 524 N VAL A 35 0.946 8.210 1.925 1.00 0.00 N ATOM 525 CA VAL A 35 -0.193 7.797 2.768 1.00 0.00 C ATOM 526 C VAL A 35 0.315 6.810 3.826 1.00 0.00 C ATOM 527 O VAL A 35 1.054 5.873 3.503 1.00 0.00 O ATOM 528 CB VAL A 35 -1.335 7.112 1.918 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.528 6.659 2.796 1.00 0.00 C ATOM 530 CG2 VAL A 35 -1.808 8.040 0.780 1.00 0.00 C ATOM 0 H VAL A 35 1.300 7.456 1.337 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.617 8.686 3.235 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.907 6.213 1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.287 6.194 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.181 5.940 3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.956 7.524 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.594 7.545 0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.195 8.967 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.969 8.265 0.121 1.00 0.00 H new ATOM 540 N LYS A 36 -0.091 7.035 5.080 1.00 0.00 N ATOM 541 CA LYS A 36 0.261 6.166 6.211 1.00 0.00 C ATOM 542 C LYS A 36 -0.446 4.806 6.066 1.00 0.00 C ATOM 543 O LYS A 36 -1.580 4.749 5.570 1.00 0.00 O ATOM 544 CB LYS A 36 -0.143 6.857 7.544 1.00 0.00 C ATOM 545 CG LYS A 36 0.565 8.211 7.775 1.00 0.00 C ATOM 546 CD LYS A 36 0.138 8.918 9.086 1.00 0.00 C ATOM 547 CE LYS A 36 0.550 8.155 10.358 1.00 0.00 C ATOM 548 NZ LYS A 36 0.226 8.927 11.594 1.00 0.00 N ATOM 0 H LYS A 36 -0.676 7.829 5.342 1.00 0.00 H new ATOM 0 HA LYS A 36 1.337 5.995 6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.222 7.014 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.087 6.189 8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.643 8.050 7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.356 8.870 6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.578 9.915 9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.944 9.047 9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.040 7.192 10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.620 7.948 10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.518 8.382 12.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.732 9.835 11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.798 9.102 11.635 1.00 0.00 H new ATOM 562 N LEU A 37 0.239 3.729 6.488 1.00 0.00 N ATOM 563 CA LEU A 37 -0.326 2.361 6.495 1.00 0.00 C ATOM 564 C LEU A 37 -1.603 2.300 7.358 1.00 0.00 C ATOM 565 O LEU A 37 -2.562 1.616 6.993 1.00 0.00 O ATOM 566 CB LEU A 37 0.730 1.328 6.981 1.00 0.00 C ATOM 567 CG LEU A 37 0.227 -0.149 7.182 1.00 0.00 C ATOM 568 CD1 LEU A 37 -0.465 -0.689 5.923 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.380 -1.072 7.616 1.00 0.00 C ATOM 0 H LEU A 37 1.197 3.778 6.834 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.601 2.101 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.550 1.314 6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.141 1.680 7.927 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.514 -0.134 7.981 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.798 -1.711 6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.325 -0.063 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.236 -0.676 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.004 -2.087 7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.156 -1.069 6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.797 -0.715 8.557 1.00 0.00 H new ATOM 581 N ALA A 38 -1.576 2.995 8.509 1.00 0.00 N ATOM 582 CA ALA A 38 -2.767 3.290 9.336 1.00 0.00 C ATOM 583 C ALA A 38 -4.012 3.679 8.496 1.00 0.00 C ATOM 584 O ALA A 38 -5.106 3.165 8.735 1.00 0.00 O ATOM 585 CB ALA A 38 -2.422 4.400 10.341 1.00 0.00 C ATOM 0 H ALA A 38 -0.714 3.375 8.900 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.035 2.375 9.864 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.296 4.621 10.953 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.605 4.069 10.982 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.120 5.298 9.802 1.00 0.00 H new ATOM 591 N GLN A 39 -3.828 4.556 7.483 1.00 0.00 N ATOM 592 CA GLN A 39 -4.929 4.977 6.592 1.00 0.00 C ATOM 593 C GLN A 39 -5.165 3.922 5.485 1.00 0.00 C ATOM 594 O GLN A 39 -6.307 3.710 5.071 1.00 0.00 O ATOM 595 CB GLN A 39 -4.656 6.373 5.965 1.00 0.00 C ATOM 596 CG GLN A 39 -5.783 6.849 5.014 1.00 0.00 C ATOM 597 CD GLN A 39 -5.589 8.240 4.419 1.00 0.00 C ATOM 598 OE1 GLN A 39 -5.022 9.133 5.041 1.00 0.00 O ATOM 599 NE2 GLN A 39 -6.062 8.431 3.195 1.00 0.00 N ATOM 0 H GLN A 39 -2.929 4.984 7.264 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.831 5.058 7.198 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.531 7.104 6.764 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.716 6.339 5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.874 6.132 4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.727 6.833 5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.529 7.668 2.704 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.959 9.340 2.745 1.00 0.00 H new ATOM 608 N LEU A 40 -4.081 3.233 5.037 1.00 0.00 N ATOM 609 CA LEU A 40 -4.172 2.195 3.976 1.00 0.00 C ATOM 610 C LEU A 40 -5.140 1.076 4.408 1.00 0.00 C ATOM 611 O LEU A 40 -5.830 0.509 3.575 1.00 0.00 O ATOM 612 CB LEU A 40 -2.773 1.587 3.627 1.00 0.00 C ATOM 613 CG LEU A 40 -1.767 2.519 2.878 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.394 1.836 2.702 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.330 2.963 1.516 1.00 0.00 C ATOM 0 H LEU A 40 -3.137 3.378 5.394 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.553 2.680 3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.305 1.257 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.932 0.698 3.017 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.625 3.408 3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.283 2.510 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.020 1.595 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.515 0.920 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.608 3.610 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.519 2.086 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.262 3.508 1.668 1.00 0.00 H new ATOM 627 N VAL A 41 -5.177 0.789 5.728 1.00 0.00 N ATOM 628 CA VAL A 41 -6.142 -0.154 6.339 1.00 0.00 C ATOM 629 C VAL A 41 -7.608 0.183 5.968 1.00 0.00 C ATOM 630 O VAL A 41 -8.300 -0.645 5.348 1.00 0.00 O ATOM 631 CB VAL A 41 -5.967 -0.199 7.906 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.989 -1.147 8.568 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.520 -0.594 8.300 1.00 0.00 C ATOM 0 H VAL A 41 -4.536 1.206 6.403 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.922 -1.141 5.931 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.158 0.808 8.278 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.836 -1.151 9.647 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.000 -0.805 8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.854 -2.156 8.179 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.432 -0.616 9.386 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.290 -1.580 7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.820 0.136 7.894 1.00 0.00 H new ATOM 643 N LYS A 42 -8.057 1.413 6.313 1.00 0.00 N ATOM 644 CA LYS A 42 -9.470 1.810 6.138 1.00 0.00 C ATOM 645 C LYS A 42 -9.844 1.984 4.657 1.00 0.00 C ATOM 646 O LYS A 42 -10.934 1.565 4.240 1.00 0.00 O ATOM 647 CB LYS A 42 -9.837 3.082 6.963 1.00 0.00 C ATOM 648 CG LYS A 42 -9.006 4.352 6.659 1.00 0.00 C ATOM 649 CD LYS A 42 -9.561 5.630 7.343 1.00 0.00 C ATOM 650 CE LYS A 42 -9.642 5.525 8.876 1.00 0.00 C ATOM 651 NZ LYS A 42 -8.318 5.250 9.494 1.00 0.00 N ATOM 0 H LYS A 42 -7.464 2.141 6.711 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.066 0.987 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.889 3.311 6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.730 2.847 8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.978 4.191 6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.977 4.509 5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.928 6.477 7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.555 5.840 6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.043 6.454 9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.339 4.732 9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.420 5.205 10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.952 4.342 9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.654 6.011 9.245 1.00 0.00 H new ATOM 665 N GLU A 43 -8.944 2.588 3.862 1.00 0.00 N ATOM 666 CA GLU A 43 -9.186 2.835 2.427 1.00 0.00 C ATOM 667 C GLU A 43 -9.199 1.531 1.607 1.00 0.00 C ATOM 668 O GLU A 43 -10.057 1.353 0.734 1.00 0.00 O ATOM 669 CB GLU A 43 -8.103 3.791 1.873 1.00 0.00 C ATOM 670 CG GLU A 43 -7.932 5.103 2.661 1.00 0.00 C ATOM 671 CD GLU A 43 -9.200 5.963 2.729 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.482 6.697 1.763 1.00 0.00 O ATOM 673 OE2 GLU A 43 -9.914 5.923 3.745 1.00 0.00 O ATOM 0 H GLU A 43 -8.036 2.917 4.190 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.171 3.291 2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.148 3.266 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.348 4.034 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.612 4.866 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.134 5.687 2.204 1.00 0.00 H new ATOM 680 N CYS A 44 -8.239 0.629 1.881 1.00 0.00 N ATOM 681 CA CYS A 44 -8.132 -0.649 1.153 1.00 0.00 C ATOM 682 C CYS A 44 -9.164 -1.679 1.637 1.00 0.00 C ATOM 683 O CYS A 44 -9.387 -2.687 0.949 1.00 0.00 O ATOM 684 CB CYS A 44 -6.701 -1.233 1.269 1.00 0.00 C ATOM 685 SG CYS A 44 -5.409 -0.147 0.621 1.00 0.00 S ATOM 0 H CYS A 44 -7.527 0.761 2.600 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.344 -0.435 0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.490 -1.446 2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.663 -2.183 0.737 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.987 0.638 1.567 1.00 0.00 H new ATOM 691 N GLN A 45 -9.781 -1.426 2.828 1.00 0.00 N ATOM 692 CA GLN A 45 -10.702 -2.383 3.504 1.00 0.00 C ATOM 693 C GLN A 45 -9.958 -3.691 3.846 1.00 0.00 C ATOM 694 O GLN A 45 -10.569 -4.751 4.011 1.00 0.00 O ATOM 695 CB GLN A 45 -11.974 -2.652 2.632 1.00 0.00 C ATOM 696 CG GLN A 45 -12.951 -1.464 2.534 1.00 0.00 C ATOM 697 CD GLN A 45 -13.725 -1.213 3.835 1.00 0.00 C ATOM 698 OE1 GLN A 45 -14.785 -1.797 4.067 1.00 0.00 O ATOM 699 NE2 GLN A 45 -13.207 -0.350 4.683 1.00 0.00 N ATOM 0 H GLN A 45 -9.653 -0.555 3.343 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.042 -1.936 4.438 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.657 -2.928 1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.506 -3.509 3.045 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.395 -0.565 2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.659 -1.649 1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.328 0.117 4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.685 -0.148 5.561 1.00 0.00 H new ATOM 708 N ALA A 46 -8.635 -3.568 4.010 1.00 0.00 N ATOM 709 CA ALA A 46 -7.716 -4.701 4.164 1.00 0.00 C ATOM 710 C ALA A 46 -7.062 -4.666 5.559 1.00 0.00 C ATOM 711 O ALA A 46 -6.790 -3.575 6.081 1.00 0.00 O ATOM 712 CB ALA A 46 -6.650 -4.647 3.059 1.00 0.00 C ATOM 0 H ALA A 46 -8.166 -2.663 4.040 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.270 -5.636 4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.966 -5.488 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.134 -4.701 2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.093 -3.713 3.136 1.00 0.00 H new ATOM 718 N PRO A 47 -6.818 -5.851 6.200 1.00 0.00 N ATOM 719 CA PRO A 47 -6.082 -5.927 7.479 1.00 0.00 C ATOM 720 C PRO A 47 -4.596 -5.563 7.301 1.00 0.00 C ATOM 721 O PRO A 47 -3.968 -5.973 6.315 1.00 0.00 O ATOM 722 CB PRO A 47 -6.271 -7.406 7.933 1.00 0.00 C ATOM 723 CG PRO A 47 -7.401 -7.924 7.093 1.00 0.00 C ATOM 724 CD PRO A 47 -7.260 -7.204 5.771 1.00 0.00 C ATOM 0 HA PRO A 47 -6.453 -5.218 8.219 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.362 -7.987 7.775 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.508 -7.466 8.995 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.335 -9.004 6.964 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.366 -7.716 7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.529 -7.685 5.121 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.201 -7.171 5.222 1.00 0.00 H new ATOM 732 N LYS A 48 -4.078 -4.788 8.266 1.00 0.00 N ATOM 733 CA LYS A 48 -2.663 -4.375 8.359 1.00 0.00 C ATOM 734 C LYS A 48 -1.680 -5.560 8.176 1.00 0.00 C ATOM 735 O LYS A 48 -0.594 -5.365 7.654 1.00 0.00 O ATOM 736 CB LYS A 48 -2.453 -3.660 9.717 1.00 0.00 C ATOM 737 CG LYS A 48 -1.008 -3.216 10.042 1.00 0.00 C ATOM 738 CD LYS A 48 -0.939 -2.388 11.347 1.00 0.00 C ATOM 739 CE LYS A 48 0.500 -2.147 11.828 1.00 0.00 C ATOM 740 NZ LYS A 48 1.325 -1.440 10.816 1.00 0.00 N ATOM 0 H LYS A 48 -4.647 -4.418 9.028 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.441 -3.690 7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.095 -2.780 9.743 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.793 -4.326 10.510 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.370 -4.095 10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.615 -2.624 9.215 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.429 -1.427 11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.496 -2.904 12.129 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.479 -1.563 12.748 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.965 -3.103 12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.147 -1.005 11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.652 -2.119 10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.755 -0.701 10.358 1.00 0.00 H new ATOM 754 N ARG A 49 -2.104 -6.778 8.580 1.00 0.00 N ATOM 755 CA ARG A 49 -1.339 -8.036 8.380 1.00 0.00 C ATOM 756 C ARG A 49 -1.015 -8.260 6.884 1.00 0.00 C ATOM 757 O ARG A 49 0.145 -8.397 6.494 1.00 0.00 O ATOM 758 CB ARG A 49 -2.161 -9.251 8.887 1.00 0.00 C ATOM 759 CG ARG A 49 -2.765 -9.100 10.297 1.00 0.00 C ATOM 760 CD ARG A 49 -3.777 -10.215 10.600 1.00 0.00 C ATOM 761 NE ARG A 49 -4.803 -10.339 9.536 1.00 0.00 N ATOM 762 CZ ARG A 49 -5.893 -11.111 9.590 1.00 0.00 C ATOM 763 NH1 ARG A 49 -6.170 -11.846 10.668 1.00 0.00 N ATOM 764 NH2 ARG A 49 -6.705 -11.156 8.539 1.00 0.00 N ATOM 0 H ARG A 49 -2.994 -6.920 9.058 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.410 -7.946 8.943 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.971 -9.440 8.182 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.519 -10.132 8.878 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.967 -9.120 11.039 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.255 -8.130 10.382 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.250 -11.163 10.708 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.266 -10.012 11.553 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.665 -9.787 8.689 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.544 -11.826 11.473 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.008 -12.428 10.687 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.493 -10.606 7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.541 -11.740 8.565 1.00 0.00 H new ATOM 778 N GLU A 50 -2.084 -8.285 6.070 1.00 0.00 N ATOM 779 CA GLU A 50 -2.018 -8.537 4.618 1.00 0.00 C ATOM 780 C GLU A 50 -1.293 -7.414 3.898 1.00 0.00 C ATOM 781 O GLU A 50 -0.478 -7.670 3.003 1.00 0.00 O ATOM 782 CB GLU A 50 -3.448 -8.714 4.050 1.00 0.00 C ATOM 783 CG GLU A 50 -4.005 -10.140 4.187 1.00 0.00 C ATOM 784 CD GLU A 50 -3.985 -10.695 5.622 1.00 0.00 C ATOM 785 OE1 GLU A 50 -4.695 -10.144 6.494 1.00 0.00 O ATOM 786 OE2 GLU A 50 -3.255 -11.673 5.889 1.00 0.00 O ATOM 0 H GLU A 50 -3.034 -8.128 6.407 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.453 -9.454 4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.118 -8.023 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.446 -8.436 2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.031 -10.153 3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.428 -10.806 3.545 1.00 0.00 H new ATOM 793 N LEU A 51 -1.616 -6.176 4.298 1.00 0.00 N ATOM 794 CA LEU A 51 -0.965 -4.973 3.791 1.00 0.00 C ATOM 795 C LEU A 51 0.557 -5.076 3.981 1.00 0.00 C ATOM 796 O LEU A 51 1.269 -4.966 3.010 1.00 0.00 O ATOM 797 CB LEU A 51 -1.556 -3.728 4.491 1.00 0.00 C ATOM 798 CG LEU A 51 -3.052 -3.400 4.155 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.647 -2.417 5.165 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.197 -2.840 2.729 1.00 0.00 C ATOM 0 H LEU A 51 -2.343 -5.986 4.988 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.152 -4.873 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.467 -3.864 5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.947 -2.863 4.228 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.605 -4.337 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.685 -2.210 4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.604 -2.851 6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.077 -1.488 5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.246 -2.623 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.613 -1.924 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.835 -3.575 2.011 1.00 0.00 H new ATOM 812 N ASN A 52 1.015 -5.365 5.224 1.00 0.00 N ATOM 813 CA ASN A 52 2.454 -5.577 5.562 1.00 0.00 C ATOM 814 C ASN A 52 3.148 -6.534 4.570 1.00 0.00 C ATOM 815 O ASN A 52 4.126 -6.156 3.909 1.00 0.00 O ATOM 816 CB ASN A 52 2.611 -6.142 7.017 1.00 0.00 C ATOM 817 CG ASN A 52 2.434 -5.111 8.136 1.00 0.00 C ATOM 818 OD1 ASN A 52 2.932 -3.906 7.934 1.00 0.00 O flip ATOM 819 ND2 ASN A 52 1.888 -5.415 9.200 1.00 0.00 N flip ATOM 0 H ASN A 52 0.396 -5.459 6.029 1.00 0.00 H new ATOM 0 HA ASN A 52 2.936 -4.602 5.494 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.883 -6.940 7.161 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.600 -6.592 7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.511 -6.354 9.330 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.813 -4.727 9.950 1.00 0.00 H new ATOM 826 N GLN A 53 2.612 -7.773 4.475 1.00 0.00 N ATOM 827 CA GLN A 53 3.157 -8.851 3.625 1.00 0.00 C ATOM 828 C GLN A 53 3.333 -8.408 2.156 1.00 0.00 C ATOM 829 O GLN A 53 4.405 -8.574 1.570 1.00 0.00 O ATOM 830 CB GLN A 53 2.215 -10.084 3.691 1.00 0.00 C ATOM 831 CG GLN A 53 2.030 -10.674 5.103 1.00 0.00 C ATOM 832 CD GLN A 53 0.970 -11.775 5.156 1.00 0.00 C ATOM 833 OE1 GLN A 53 -0.279 -11.397 5.400 1.00 0.00 O flip ATOM 834 NE2 GLN A 53 1.270 -12.958 4.972 1.00 0.00 N flip ATOM 0 H GLN A 53 1.779 -8.053 4.993 1.00 0.00 H new ATOM 0 HA GLN A 53 4.145 -9.107 4.007 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.238 -9.800 3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.608 -10.861 3.035 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.982 -11.076 5.450 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.751 -9.876 5.791 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.239 -13.215 4.787 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.548 -13.678 5.005 1.00 0.00 H new ATOM 843 N VAL A 54 2.271 -7.841 1.582 1.00 0.00 N ATOM 844 CA VAL A 54 2.255 -7.399 0.178 1.00 0.00 C ATOM 845 C VAL A 54 3.196 -6.185 -0.046 1.00 0.00 C ATOM 846 O VAL A 54 3.945 -6.159 -1.031 1.00 0.00 O ATOM 847 CB VAL A 54 0.772 -7.089 -0.266 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.697 -6.521 -1.697 1.00 0.00 C ATOM 849 CG2 VAL A 54 -0.111 -8.363 -0.130 1.00 0.00 C ATOM 0 H VAL A 54 1.394 -7.673 2.075 1.00 0.00 H new ATOM 0 HA VAL A 54 2.638 -8.204 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 54 0.387 -6.318 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.343 -6.324 -1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.266 -5.593 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.115 -7.244 -2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.131 -8.134 -0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.291 -9.154 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.113 -8.695 0.908 1.00 0.00 H new ATOM 859 N LEU A 55 3.147 -5.208 0.887 1.00 0.00 N ATOM 860 CA LEU A 55 3.956 -3.964 0.860 1.00 0.00 C ATOM 861 C LEU A 55 5.450 -4.189 0.591 1.00 0.00 C ATOM 862 O LEU A 55 6.002 -3.502 -0.264 1.00 0.00 O ATOM 863 CB LEU A 55 3.766 -3.139 2.171 1.00 0.00 C ATOM 864 CG LEU A 55 2.477 -2.256 2.235 1.00 0.00 C ATOM 865 CD1 LEU A 55 2.255 -1.702 3.650 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.537 -1.118 1.195 1.00 0.00 C ATOM 0 H LEU A 55 2.531 -5.261 1.698 1.00 0.00 H new ATOM 0 HA LEU A 55 3.575 -3.397 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.754 -3.829 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.634 -2.493 2.301 1.00 0.00 H new ATOM 0 HG LEU A 55 1.624 -2.889 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.352 -1.092 3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.145 -2.529 4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.110 -1.091 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.629 -0.518 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.403 -0.488 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.621 -1.543 0.195 1.00 0.00 H new ATOM 878 N TYR A 56 6.116 -5.130 1.295 1.00 0.00 N ATOM 879 CA TYR A 56 7.576 -5.343 1.134 1.00 0.00 C ATOM 880 C TYR A 56 7.913 -6.021 -0.211 1.00 0.00 C ATOM 881 O TYR A 56 9.030 -5.848 -0.723 1.00 0.00 O ATOM 882 CB TYR A 56 8.150 -6.169 2.315 1.00 0.00 C ATOM 883 CG TYR A 56 8.187 -5.419 3.656 1.00 0.00 C ATOM 884 CD1 TYR A 56 7.094 -5.428 4.528 1.00 0.00 C ATOM 885 CD2 TYR A 56 9.324 -4.709 4.050 1.00 0.00 C ATOM 886 CE1 TYR A 56 7.139 -4.768 5.742 1.00 0.00 C ATOM 887 CE2 TYR A 56 9.369 -4.047 5.259 1.00 0.00 C ATOM 888 CZ TYR A 56 8.279 -4.078 6.099 1.00 0.00 C ATOM 889 OH TYR A 56 8.331 -3.429 7.316 1.00 0.00 O ATOM 0 H TYR A 56 5.674 -5.750 1.974 1.00 0.00 H new ATOM 0 HA TYR A 56 8.046 -4.359 1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.552 -7.073 2.435 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.162 -6.487 2.062 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.197 -5.961 4.248 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.183 -4.678 3.396 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.288 -4.792 6.406 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.258 -3.505 5.546 1.00 0.00 H new ATOM 0 HH TYR A 56 9.202 -2.992 7.417 1.00 0.00 H new ATOM 899 N ARG A 57 6.956 -6.785 -0.785 1.00 0.00 N ATOM 900 CA ARG A 57 7.130 -7.401 -2.115 1.00 0.00 C ATOM 901 C ARG A 57 7.101 -6.315 -3.198 1.00 0.00 C ATOM 902 O ARG A 57 8.021 -6.202 -4.009 1.00 0.00 O ATOM 903 CB ARG A 57 6.014 -8.444 -2.417 1.00 0.00 C ATOM 904 CG ARG A 57 6.057 -8.970 -3.877 1.00 0.00 C ATOM 905 CD ARG A 57 4.895 -9.888 -4.267 1.00 0.00 C ATOM 906 NE ARG A 57 4.943 -10.175 -5.717 1.00 0.00 N ATOM 907 CZ ARG A 57 4.143 -11.023 -6.371 1.00 0.00 C ATOM 908 NH1 ARG A 57 3.195 -11.711 -5.735 1.00 0.00 N ATOM 909 NH2 ARG A 57 4.296 -11.181 -7.675 1.00 0.00 N ATOM 0 H ARG A 57 6.058 -6.988 -0.347 1.00 0.00 H new ATOM 0 HA ARG A 57 8.092 -7.914 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.114 -9.285 -1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.040 -7.992 -2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.070 -8.116 -4.555 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.992 -9.509 -4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.950 -10.818 -3.702 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.946 -9.416 -4.012 1.00 0.00 H new ATOM 0 HE ARG A 57 5.648 -9.683 -6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.069 -11.596 -4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.596 -12.353 -6.254 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.018 -10.659 -8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.692 -11.825 -8.185 1.00 0.00 H new ATOM 923 N MET A 58 6.011 -5.530 -3.202 1.00 0.00 N ATOM 924 CA MET A 58 5.791 -4.465 -4.183 1.00 0.00 C ATOM 925 C MET A 58 6.806 -3.311 -3.984 1.00 0.00 C ATOM 926 O MET A 58 7.096 -2.578 -4.922 1.00 0.00 O ATOM 927 CB MET A 58 4.314 -3.980 -4.102 1.00 0.00 C ATOM 928 CG MET A 58 3.900 -3.363 -2.757 1.00 0.00 C ATOM 929 SD MET A 58 2.113 -3.279 -2.514 1.00 0.00 S ATOM 930 CE MET A 58 1.586 -2.260 -3.878 1.00 0.00 C ATOM 0 H MET A 58 5.257 -5.620 -2.521 1.00 0.00 H new ATOM 0 HA MET A 58 5.961 -4.854 -5.187 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.147 -3.244 -4.888 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.659 -4.825 -4.313 1.00 0.00 H new ATOM 0 HG2 MET A 58 4.340 -3.947 -1.949 1.00 0.00 H new ATOM 0 HG3 MET A 58 4.315 -2.357 -2.686 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.647 -2.643 -4.277 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.443 -1.236 -3.533 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.346 -2.277 -4.660 1.00 0.00 H new ATOM 940 N LYS A 59 7.354 -3.176 -2.757 1.00 0.00 N ATOM 941 CA LYS A 59 8.461 -2.247 -2.454 1.00 0.00 C ATOM 942 C LYS A 59 9.764 -2.717 -3.122 1.00 0.00 C ATOM 943 O LYS A 59 10.510 -1.905 -3.683 1.00 0.00 O ATOM 944 CB LYS A 59 8.663 -2.154 -0.918 1.00 0.00 C ATOM 945 CG LYS A 59 9.751 -1.163 -0.468 1.00 0.00 C ATOM 946 CD LYS A 59 10.105 -1.297 1.033 1.00 0.00 C ATOM 947 CE LYS A 59 11.180 -0.294 1.455 1.00 0.00 C ATOM 948 NZ LYS A 59 12.432 -0.469 0.671 1.00 0.00 N ATOM 0 H LYS A 59 7.039 -3.710 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 59 8.205 -1.263 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.717 -1.867 -0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.914 -3.144 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.650 -1.323 -1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.414 -0.146 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.208 -1.143 1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.453 -2.310 1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.805 0.720 1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.395 -0.416 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.198 0.079 1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.693 -1.476 0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.282 -0.133 -0.302 1.00 0.00 H new ATOM 962 N LYS A 60 10.022 -4.040 -3.041 1.00 0.00 N ATOM 963 CA LYS A 60 11.163 -4.698 -3.700 1.00 0.00 C ATOM 964 C LYS A 60 11.103 -4.486 -5.229 1.00 0.00 C ATOM 965 O LYS A 60 12.123 -4.276 -5.889 1.00 0.00 O ATOM 966 CB LYS A 60 11.112 -6.219 -3.375 1.00 0.00 C ATOM 967 CG LYS A 60 12.364 -7.028 -3.777 1.00 0.00 C ATOM 968 CD LYS A 60 13.611 -6.729 -2.902 1.00 0.00 C ATOM 969 CE LYS A 60 13.555 -7.387 -1.501 1.00 0.00 C ATOM 970 NZ LYS A 60 12.452 -6.875 -0.636 1.00 0.00 N ATOM 0 H LYS A 60 9.436 -4.685 -2.510 1.00 0.00 H new ATOM 0 HA LYS A 60 12.094 -4.265 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.953 -6.338 -2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.246 -6.651 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.134 -8.092 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.603 -6.815 -4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.503 -7.078 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.712 -5.650 -2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.439 -8.464 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.506 -7.223 -0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.732 -6.948 0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.261 -5.880 -0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.594 -7.440 -0.797 1.00 0.00 H new ATOM 984 N GLU A 61 9.870 -4.526 -5.761 1.00 0.00 N ATOM 985 CA GLU A 61 9.588 -4.329 -7.192 1.00 0.00 C ATOM 986 C GLU A 61 9.428 -2.831 -7.552 1.00 0.00 C ATOM 987 O GLU A 61 9.177 -2.506 -8.716 1.00 0.00 O ATOM 988 CB GLU A 61 8.319 -5.126 -7.586 1.00 0.00 C ATOM 989 CG GLU A 61 8.452 -6.652 -7.412 1.00 0.00 C ATOM 990 CD GLU A 61 7.292 -7.434 -8.048 1.00 0.00 C ATOM 991 OE1 GLU A 61 7.206 -7.451 -9.300 1.00 0.00 O ATOM 992 OE2 GLU A 61 6.463 -8.023 -7.316 1.00 0.00 O ATOM 0 H GLU A 61 9.033 -4.698 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 61 10.441 -4.701 -7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.481 -4.775 -6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.076 -4.910 -8.626 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.391 -6.982 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.502 -6.888 -6.349 1.00 0.00 H new ATOM 999 N LEU A 62 9.555 -1.941 -6.532 1.00 0.00 N ATOM 1000 CA LEU A 62 9.514 -0.459 -6.679 1.00 0.00 C ATOM 1001 C LEU A 62 8.169 0.047 -7.256 1.00 0.00 C ATOM 1002 O LEU A 62 8.088 1.138 -7.834 1.00 0.00 O ATOM 1003 CB LEU A 62 10.741 0.041 -7.499 1.00 0.00 C ATOM 1004 CG LEU A 62 12.155 -0.231 -6.869 1.00 0.00 C ATOM 1005 CD1 LEU A 62 13.296 0.188 -7.829 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.293 0.478 -5.503 1.00 0.00 C ATOM 0 H LEU A 62 9.691 -2.238 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 62 9.581 -0.026 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.709 -0.427 -8.483 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.635 1.115 -7.653 1.00 0.00 H new ATOM 0 HG LEU A 62 12.243 -1.305 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.259 -0.015 -7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.218 -0.379 -8.757 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.215 1.253 -8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.280 0.276 -5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.169 1.553 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.528 0.107 -4.821 1.00 0.00 H new ATOM 1018 N LYS A 63 7.119 -0.773 -7.047 1.00 0.00 N ATOM 1019 CA LYS A 63 5.710 -0.402 -7.278 1.00 0.00 C ATOM 1020 C LYS A 63 5.289 0.665 -6.267 1.00 0.00 C ATOM 1021 O LYS A 63 4.442 1.513 -6.547 1.00 0.00 O ATOM 1022 CB LYS A 63 4.801 -1.650 -7.131 1.00 0.00 C ATOM 1023 CG LYS A 63 5.230 -2.845 -8.000 1.00 0.00 C ATOM 1024 CD LYS A 63 4.246 -4.029 -7.920 1.00 0.00 C ATOM 1025 CE LYS A 63 4.525 -5.101 -8.979 1.00 0.00 C ATOM 1026 NZ LYS A 63 4.342 -4.570 -10.358 1.00 0.00 N ATOM 0 H LYS A 63 7.230 -1.728 -6.707 1.00 0.00 H new ATOM 0 HA LYS A 63 5.606 -0.005 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.793 -1.959 -6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.779 -1.374 -7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.317 -2.521 -9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.219 -3.179 -7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.305 -4.479 -6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.228 -3.659 -8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.544 -5.471 -8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.858 -5.949 -8.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.236 -5.362 -11.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.490 -3.974 -10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.172 -4.003 -10.625 1.00 0.00 H new ATOM 1040 N VAL A 64 5.895 0.568 -5.069 1.00 0.00 N ATOM 1041 CA VAL A 64 5.792 1.566 -4.000 1.00 0.00 C ATOM 1042 C VAL A 64 7.201 1.844 -3.453 1.00 0.00 C ATOM 1043 O VAL A 64 8.135 1.052 -3.657 1.00 0.00 O ATOM 1044 CB VAL A 64 4.842 1.119 -2.818 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.421 0.829 -3.322 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.413 -0.082 -2.034 1.00 0.00 C ATOM 0 H VAL A 64 6.482 -0.227 -4.816 1.00 0.00 H new ATOM 0 HA VAL A 64 5.349 2.464 -4.430 1.00 0.00 H new ATOM 0 HB VAL A 64 4.787 1.957 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.793 0.524 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.006 1.728 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.453 0.029 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.726 -0.353 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.537 -0.930 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.379 0.188 -1.608 1.00 0.00 H new ATOM 1056 N SER A 65 7.347 2.978 -2.778 1.00 0.00 N ATOM 1057 CA SER A 65 8.559 3.324 -2.036 1.00 0.00 C ATOM 1058 C SER A 65 8.163 3.758 -0.624 1.00 0.00 C ATOM 1059 O SER A 65 7.032 4.198 -0.392 1.00 0.00 O ATOM 1060 CB SER A 65 9.332 4.441 -2.772 1.00 0.00 C ATOM 1061 OG SER A 65 9.656 4.052 -4.102 1.00 0.00 O ATOM 0 H SER A 65 6.621 3.693 -2.728 1.00 0.00 H new ATOM 0 HA SER A 65 9.219 2.459 -1.968 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.731 5.350 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.246 4.675 -2.226 1.00 0.00 H new ATOM 0 HG SER A 65 10.143 4.777 -4.546 1.00 0.00 H new ATOM 1067 N LEU A 66 9.102 3.642 0.314 1.00 0.00 N ATOM 1068 CA LEU A 66 8.884 3.993 1.721 1.00 0.00 C ATOM 1069 C LEU A 66 9.555 5.346 1.969 1.00 0.00 C ATOM 1070 O LEU A 66 10.782 5.454 1.884 1.00 0.00 O ATOM 1071 CB LEU A 66 9.484 2.889 2.633 1.00 0.00 C ATOM 1072 CG LEU A 66 9.332 3.104 4.173 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.857 3.028 4.614 1.00 0.00 C ATOM 1074 CD2 LEU A 66 10.211 2.101 4.946 1.00 0.00 C ATOM 0 H LEU A 66 10.043 3.300 0.120 1.00 0.00 H new ATOM 0 HA LEU A 66 7.821 4.065 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.017 1.939 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.546 2.796 2.404 1.00 0.00 H new ATOM 0 HG LEU A 66 9.679 4.109 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.791 3.182 5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.284 3.800 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.452 2.048 4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.093 2.264 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.906 1.084 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.256 2.244 4.670 1.00 0.00 H new ATOM 1086 N THR A 67 8.751 6.379 2.227 1.00 0.00 N ATOM 1087 CA THR A 67 9.248 7.757 2.370 1.00 0.00 C ATOM 1088 C THR A 67 9.502 8.108 3.849 1.00 0.00 C ATOM 1089 O THR A 67 10.535 8.700 4.182 1.00 0.00 O ATOM 1090 CB THR A 67 8.233 8.760 1.732 1.00 0.00 C ATOM 1091 OG1 THR A 67 6.908 8.489 2.221 1.00 0.00 O ATOM 1092 CG2 THR A 67 8.245 8.687 0.192 1.00 0.00 C ATOM 0 H THR A 67 7.742 6.290 2.343 1.00 0.00 H new ATOM 0 HA THR A 67 10.200 7.834 1.844 1.00 0.00 H new ATOM 0 HB THR A 67 8.536 9.767 2.020 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.320 8.268 1.468 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.526 9.400 -0.212 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.242 8.930 -0.176 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.976 7.680 -0.127 1.00 0.00 H new ATOM 1100 N SER A 68 8.558 7.724 4.725 1.00 0.00 N ATOM 1101 CA SER A 68 8.592 8.067 6.165 1.00 0.00 C ATOM 1102 C SER A 68 8.302 6.806 7.023 1.00 0.00 C ATOM 1103 O SER A 68 7.800 5.813 6.481 1.00 0.00 O ATOM 1104 CB SER A 68 7.563 9.192 6.434 1.00 0.00 C ATOM 1105 OG SER A 68 7.775 10.305 5.576 1.00 0.00 O ATOM 0 H SER A 68 7.747 7.166 4.458 1.00 0.00 H new ATOM 0 HA SER A 68 9.583 8.426 6.444 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.554 8.806 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.636 9.513 7.473 1.00 0.00 H new ATOM 0 HG SER A 68 7.109 10.998 5.768 1.00 0.00 H new ATOM 1111 N PRO A 69 8.641 6.811 8.360 1.00 0.00 N ATOM 1112 CA PRO A 69 8.318 5.686 9.283 1.00 0.00 C ATOM 1113 C PRO A 69 6.805 5.354 9.296 1.00 0.00 C ATOM 1114 O PRO A 69 5.985 6.214 9.644 1.00 0.00 O ATOM 1115 CB PRO A 69 8.804 6.198 10.667 1.00 0.00 C ATOM 1116 CG PRO A 69 9.857 7.219 10.350 1.00 0.00 C ATOM 1117 CD PRO A 69 9.399 7.884 9.070 1.00 0.00 C ATOM 0 HA PRO A 69 8.797 4.754 8.983 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.985 6.638 11.236 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.210 5.385 11.269 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.956 7.945 11.157 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.833 6.750 10.222 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.770 8.751 9.273 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.244 8.235 8.478 1.00 0.00 H new ATOM 1125 N ALA A 70 6.474 4.125 8.835 1.00 0.00 N ATOM 1126 CA ALA A 70 5.099 3.581 8.752 1.00 0.00 C ATOM 1127 C ALA A 70 4.257 4.272 7.652 1.00 0.00 C ATOM 1128 O ALA A 70 3.057 4.025 7.542 1.00 0.00 O ATOM 1129 CB ALA A 70 4.386 3.634 10.127 1.00 0.00 C ATOM 0 H ALA A 70 7.177 3.466 8.501 1.00 0.00 H new ATOM 0 HA ALA A 70 5.192 2.534 8.465 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.379 3.227 10.031 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.948 3.044 10.851 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.329 4.668 10.467 1.00 0.00 H new ATOM 1135 N THR A 71 4.909 5.090 6.808 1.00 0.00 N ATOM 1136 CA THR A 71 4.228 5.908 5.786 1.00 0.00 C ATOM 1137 C THR A 71 4.823 5.598 4.404 1.00 0.00 C ATOM 1138 O THR A 71 6.024 5.779 4.166 1.00 0.00 O ATOM 1139 CB THR A 71 4.351 7.430 6.097 1.00 0.00 C ATOM 1140 OG1 THR A 71 3.921 7.673 7.442 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.524 8.300 5.123 1.00 0.00 C ATOM 0 H THR A 71 5.923 5.204 6.814 1.00 0.00 H new ATOM 0 HA THR A 71 3.168 5.656 5.794 1.00 0.00 H new ATOM 0 HB THR A 71 5.397 7.710 5.972 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.692 8.620 7.546 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.644 9.352 5.383 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.873 8.136 4.103 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.471 8.026 5.195 1.00 0.00 H new ATOM 1149 N TRP A 72 3.949 5.159 3.498 1.00 0.00 N ATOM 1150 CA TRP A 72 4.318 4.652 2.173 1.00 0.00 C ATOM 1151 C TRP A 72 3.922 5.670 1.107 1.00 0.00 C ATOM 1152 O TRP A 72 3.154 6.585 1.373 1.00 0.00 O ATOM 1153 CB TRP A 72 3.608 3.294 1.925 1.00 0.00 C ATOM 1154 CG TRP A 72 4.043 2.222 2.900 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.581 2.011 4.177 1.00 0.00 C ATOM 1156 CD2 TRP A 72 5.048 1.234 2.669 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.249 0.953 4.744 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.147 0.454 3.835 1.00 0.00 C ATOM 1159 CE3 TRP A 72 5.866 0.929 1.580 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 6.039 -0.608 3.942 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 6.745 -0.123 1.689 1.00 0.00 C ATOM 1162 CH2 TRP A 72 6.826 -0.884 2.863 1.00 0.00 C ATOM 0 H TRP A 72 2.943 5.145 3.667 1.00 0.00 H new ATOM 0 HA TRP A 72 5.396 4.498 2.122 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.530 3.433 2.001 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.815 2.961 0.908 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.809 2.590 4.662 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.101 0.596 5.688 1.00 0.00 H new ATOM 0 HE3 TRP A 72 5.810 1.508 0.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 6.106 -1.193 4.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.385 -0.367 0.854 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.525 -1.705 2.914 1.00 0.00 H new ATOM 1173 N CYS A 73 4.449 5.486 -0.098 1.00 0.00 N ATOM 1174 CA CYS A 73 4.157 6.352 -1.249 1.00 0.00 C ATOM 1175 C CYS A 73 4.168 5.501 -2.511 1.00 0.00 C ATOM 1176 O CYS A 73 4.742 4.408 -2.521 1.00 0.00 O ATOM 1177 CB CYS A 73 5.193 7.491 -1.351 1.00 0.00 C ATOM 1178 SG CYS A 73 4.927 8.620 -2.738 1.00 0.00 S ATOM 0 H CYS A 73 5.097 4.728 -0.312 1.00 0.00 H new ATOM 0 HA CYS A 73 3.176 6.811 -1.124 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.178 8.064 -0.424 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.188 7.054 -1.439 1.00 0.00 H new ATOM 0 HG CYS A 73 5.112 7.984 -3.857 1.00 0.00 H new ATOM 1184 N LEU A 74 3.508 5.996 -3.561 1.00 0.00 N ATOM 1185 CA LEU A 74 3.471 5.318 -4.857 1.00 0.00 C ATOM 1186 C LEU A 74 4.861 5.370 -5.525 1.00 0.00 C ATOM 1187 O LEU A 74 5.544 6.401 -5.470 1.00 0.00 O ATOM 1188 CB LEU A 74 2.400 5.974 -5.767 1.00 0.00 C ATOM 1189 CG LEU A 74 2.147 5.270 -7.136 1.00 0.00 C ATOM 1190 CD1 LEU A 74 1.644 3.829 -6.944 1.00 0.00 C ATOM 1191 CD2 LEU A 74 1.180 6.093 -7.999 1.00 0.00 C ATOM 0 H LEU A 74 2.987 6.873 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 74 3.203 4.272 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.458 6.010 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.697 7.005 -5.960 1.00 0.00 H new ATOM 0 HG LEU A 74 3.099 5.209 -7.663 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.478 3.369 -7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.388 3.254 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.709 3.842 -6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.017 5.584 -8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.229 6.201 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.606 7.079 -8.184 1.00 0.00 H new ATOM 1203 N GLY A 75 5.270 4.244 -6.133 1.00 0.00 N ATOM 1204 CA GLY A 75 6.526 4.156 -6.883 1.00 0.00 C ATOM 1205 C GLY A 75 6.384 4.759 -8.271 1.00 0.00 C ATOM 1206 O GLY A 75 6.374 4.035 -9.279 1.00 0.00 O ATOM 0 H GLY A 75 4.738 3.374 -6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.315 4.675 -6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.830 3.113 -6.967 1.00 0.00 H new