USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 707 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 75 THR OG1 : rot 126:sc= 0.589 USER MOD Set 1.2: A 88 GLN : amide:sc= -0.24 K(o=0.35,f=-3.3) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.413 K(o=0.16,f=-5.1!) USER MOD Set 2.2: A 92 SER OG : rot -91:sc= -0.249 USER MOD Single : A 15 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.16) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0031 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.801 X(o=-0.8,f=-0.35!) USER MOD Single : A 40 HIS : no HE2:sc= -1.39! C(o=-1.4!,f=-3.2!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0.48) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 66 ASN : amide:sc= -1.16 X(o=-1.2,f=-0.87) USER MOD Single : A 71 MET CE :methyl -126:sc= 0 (180deg=-1.18) USER MOD Single : A 77 MET CE :methyl -173:sc= -4.47! (180deg=-4.72!) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -3.02! C(o=-5.8!,f=-3!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N ILE A 12 -7.796 -6.424 -8.664 1.00 0.00 N ATOM 130 CA ILE A 12 -6.801 -5.514 -9.216 1.00 0.00 C ATOM 131 C ILE A 12 -6.096 -4.735 -8.111 1.00 0.00 C ATOM 132 O ILE A 12 -6.638 -3.768 -7.576 1.00 0.00 O ATOM 133 CB ILE A 12 -7.434 -4.519 -10.206 1.00 0.00 C ATOM 134 CG1 ILE A 12 -8.439 -5.236 -11.110 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.356 -3.840 -11.037 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.084 -4.329 -12.135 1.00 0.00 C ATOM 0 HA ILE A 12 -6.073 -6.128 -9.747 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.964 -3.753 -9.640 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.933 -6.052 -11.626 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.217 -5.683 -10.492 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.819 -3.140 -11.732 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.675 -3.301 -10.379 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.800 -4.592 -11.597 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.784 -4.904 -12.740 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.618 -3.527 -11.626 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.315 -3.902 -12.778 1.00 0.00 H new ATOM 148 N TRP A 13 -4.883 -5.161 -7.775 1.00 0.00 N ATOM 149 CA TRP A 13 -4.103 -4.502 -6.734 1.00 0.00 C ATOM 150 C TRP A 13 -3.452 -3.230 -7.265 1.00 0.00 C ATOM 151 O TRP A 13 -2.482 -3.287 -8.019 1.00 0.00 O ATOM 152 CB TRP A 13 -3.031 -5.451 -6.195 1.00 0.00 C ATOM 153 CG TRP A 13 -3.576 -6.506 -5.281 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.158 -7.686 -5.646 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.593 -6.474 -3.849 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.535 -8.390 -4.529 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.199 -7.669 -3.414 1.00 0.00 C ATOM 158 CE3 TRP A 13 -3.154 -5.555 -2.893 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -4.376 -7.965 -2.065 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -3.330 -5.849 -1.555 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.936 -7.046 -1.150 1.00 0.00 C ATOM 0 H TRP A 13 -4.419 -5.959 -8.208 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.780 -4.231 -5.924 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.527 -5.932 -7.033 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.278 -4.871 -5.661 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.301 -8.017 -6.664 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.991 -9.302 -4.530 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.685 -4.630 -3.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -4.844 -8.887 -1.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.995 -5.144 -0.808 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.058 -7.248 -0.096 1.00 0.00 H new ATOM 172 N GLU A 14 -3.993 -2.083 -6.866 1.00 0.00 N ATOM 173 CA GLU A 14 -3.464 -0.796 -7.304 1.00 0.00 C ATOM 174 C GLU A 14 -2.483 -0.234 -6.279 1.00 0.00 C ATOM 175 O GLU A 14 -2.676 -0.386 -5.073 1.00 0.00 O ATOM 176 CB GLU A 14 -4.605 0.198 -7.533 1.00 0.00 C ATOM 177 CG GLU A 14 -5.714 -0.342 -8.420 1.00 0.00 C ATOM 178 CD GLU A 14 -6.467 0.755 -9.146 1.00 0.00 C ATOM 179 OE1 GLU A 14 -6.463 1.904 -8.655 1.00 0.00 O ATOM 180 OE2 GLU A 14 -7.060 0.466 -10.206 1.00 0.00 O ATOM 0 H GLU A 14 -4.796 -2.018 -6.241 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.933 -0.951 -8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.028 0.481 -6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.201 1.105 -7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.287 -1.029 -9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.413 -0.916 -7.812 1.00 0.00 H new ATOM 187 N GLN A 15 -1.432 0.414 -6.769 1.00 0.00 N ATOM 188 CA GLN A 15 -0.420 0.998 -5.896 1.00 0.00 C ATOM 189 C GLN A 15 -0.727 2.464 -5.610 1.00 0.00 C ATOM 190 O GLN A 15 -1.417 3.126 -6.385 1.00 0.00 O ATOM 191 CB GLN A 15 0.966 0.869 -6.529 1.00 0.00 C ATOM 192 CG GLN A 15 1.700 -0.402 -6.134 1.00 0.00 C ATOM 193 CD GLN A 15 3.056 -0.525 -6.802 1.00 0.00 C ATOM 194 OE1 GLN A 15 4.047 -0.872 -6.159 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.106 -0.240 -8.097 1.00 0.00 N ATOM 0 H GLN A 15 -1.258 0.548 -7.765 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.433 0.453 -4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.865 0.898 -7.614 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.569 1.731 -6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.829 -0.421 -5.052 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.090 -1.266 -6.397 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.259 0.044 -8.590 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.991 -0.305 -8.600 1.00 0.00 H new ATOM 204 N TYR A 16 -0.212 2.965 -4.493 1.00 0.00 N ATOM 205 CA TYR A 16 -0.433 4.352 -4.103 1.00 0.00 C ATOM 206 C TYR A 16 0.822 4.948 -3.474 1.00 0.00 C ATOM 207 O TYR A 16 1.211 4.581 -2.365 1.00 0.00 O ATOM 208 CB TYR A 16 -1.603 4.448 -3.123 1.00 0.00 C ATOM 209 CG TYR A 16 -2.923 4.001 -3.710 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.156 2.665 -4.011 1.00 0.00 C ATOM 211 CD2 TYR A 16 -3.938 4.916 -3.965 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.360 2.253 -4.548 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.145 4.513 -4.501 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.352 3.180 -4.791 1.00 0.00 C ATOM 215 OH TYR A 16 -6.553 2.775 -5.326 1.00 0.00 O ATOM 0 H TYR A 16 0.362 2.430 -3.841 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.672 4.921 -5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.381 3.841 -2.245 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.697 5.479 -2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.382 1.936 -3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.780 5.960 -3.740 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.524 1.210 -4.776 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.923 5.237 -4.692 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.142 3.551 -5.433 1.00 0.00 H new ATOM 225 N THR A 17 1.453 5.873 -4.191 1.00 0.00 N ATOM 226 CA THR A 17 2.665 6.522 -3.705 1.00 0.00 C ATOM 227 C THR A 17 2.340 7.829 -2.991 1.00 0.00 C ATOM 228 O THR A 17 1.998 8.827 -3.625 1.00 0.00 O ATOM 229 CB THR A 17 3.648 6.809 -4.856 1.00 0.00 C ATOM 230 OG1 THR A 17 3.899 5.610 -5.597 1.00 0.00 O ATOM 231 CG2 THR A 17 4.959 7.365 -4.321 1.00 0.00 C ATOM 0 H THR A 17 1.145 6.190 -5.110 1.00 0.00 H new ATOM 0 HA THR A 17 3.132 5.833 -3.001 1.00 0.00 H new ATOM 0 HB THR A 17 3.197 7.553 -5.513 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.523 5.802 -6.328 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.637 7.560 -5.152 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.768 8.293 -3.783 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.412 6.640 -3.645 1.00 0.00 H new ATOM 239 N VAL A 18 2.450 7.817 -1.666 1.00 0.00 N ATOM 240 CA VAL A 18 2.170 9.002 -0.865 1.00 0.00 C ATOM 241 C VAL A 18 3.362 9.366 0.014 1.00 0.00 C ATOM 242 O VAL A 18 4.103 8.493 0.467 1.00 0.00 O ATOM 243 CB VAL A 18 0.932 8.797 0.028 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.342 9.099 -0.748 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.905 7.381 0.583 1.00 0.00 C ATOM 0 H VAL A 18 2.731 6.999 -1.125 1.00 0.00 H new ATOM 0 HA VAL A 18 1.975 9.816 -1.563 1.00 0.00 H new ATOM 0 HB VAL A 18 0.991 9.491 0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.206 8.949 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.322 10.133 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.412 8.432 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.024 7.253 1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.869 6.668 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.802 7.206 1.176 1.00 0.00 H new ATOM 255 N THR A 19 3.541 10.662 0.252 1.00 0.00 N ATOM 256 CA THR A 19 4.643 11.142 1.076 1.00 0.00 C ATOM 257 C THR A 19 4.146 11.614 2.438 1.00 0.00 C ATOM 258 O THR A 19 3.179 12.372 2.529 1.00 0.00 O ATOM 259 CB THR A 19 5.397 12.296 0.389 1.00 0.00 C ATOM 260 OG1 THR A 19 4.531 12.965 -0.535 1.00 0.00 O ATOM 261 CG2 THR A 19 6.626 11.779 -0.343 1.00 0.00 C ATOM 0 H THR A 19 2.937 11.398 -0.114 1.00 0.00 H new ATOM 0 HA THR A 19 5.325 10.303 1.212 1.00 0.00 H new ATOM 0 HB THR A 19 5.720 12.998 1.157 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.017 13.698 -0.967 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.142 12.612 -0.820 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.296 11.296 0.368 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.321 11.058 -1.102 1.00 0.00 H new ATOM 269 N LEU A 20 4.812 11.163 3.495 1.00 0.00 N ATOM 270 CA LEU A 20 4.438 11.540 4.853 1.00 0.00 C ATOM 271 C LEU A 20 5.470 12.485 5.459 1.00 0.00 C ATOM 272 O LEU A 20 6.614 12.541 5.009 1.00 0.00 O ATOM 273 CB LEU A 20 4.295 10.294 5.729 1.00 0.00 C ATOM 274 CG LEU A 20 3.474 9.148 5.137 1.00 0.00 C ATOM 275 CD1 LEU A 20 3.935 7.813 5.701 1.00 0.00 C ATOM 276 CD2 LEU A 20 1.991 9.360 5.407 1.00 0.00 C ATOM 0 H LEU A 20 5.614 10.535 3.438 1.00 0.00 H new ATOM 0 HA LEU A 20 3.480 12.057 4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.292 9.919 5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.840 10.589 6.675 1.00 0.00 H new ATOM 0 HG LEU A 20 3.629 9.135 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.339 7.010 5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.986 7.658 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.811 7.813 6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.422 8.535 4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.819 9.400 6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.669 10.297 4.953 1.00 0.00 H new ATOM 288 N GLN A 21 5.058 13.225 6.484 1.00 0.00 N ATOM 289 CA GLN A 21 5.948 14.167 7.152 1.00 0.00 C ATOM 290 C GLN A 21 6.188 13.755 8.601 1.00 0.00 C ATOM 291 O GLN A 21 5.248 13.448 9.334 1.00 0.00 O ATOM 292 CB GLN A 21 5.362 15.579 7.102 1.00 0.00 C ATOM 293 CG GLN A 21 4.939 16.012 5.707 1.00 0.00 C ATOM 294 CD GLN A 21 4.222 17.348 5.704 1.00 0.00 C ATOM 295 OE1 GLN A 21 3.976 17.936 6.757 1.00 0.00 O ATOM 296 NE2 GLN A 21 3.883 17.835 4.516 1.00 0.00 N ATOM 0 H GLN A 21 4.114 13.190 6.869 1.00 0.00 H new ATOM 0 HA GLN A 21 6.903 14.159 6.627 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.499 15.629 7.766 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.100 16.284 7.484 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.819 16.075 5.067 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.286 15.252 5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.107 17.314 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.399 18.730 4.451 1.00 0.00 H new ATOM 305 N LYS A 22 7.453 13.749 9.007 1.00 0.00 N ATOM 306 CA LYS A 22 7.818 13.376 10.369 1.00 0.00 C ATOM 307 C LYS A 22 7.304 14.403 11.371 1.00 0.00 C ATOM 308 O LYS A 22 8.002 15.360 11.707 1.00 0.00 O ATOM 309 CB LYS A 22 9.338 13.242 10.493 1.00 0.00 C ATOM 310 CG LYS A 22 9.779 12.367 11.653 1.00 0.00 C ATOM 311 CD LYS A 22 11.012 11.553 11.301 1.00 0.00 C ATOM 312 CE LYS A 22 10.639 10.185 10.751 1.00 0.00 C ATOM 313 NZ LYS A 22 10.577 9.155 11.824 1.00 0.00 N ATOM 0 H LYS A 22 8.243 13.998 8.412 1.00 0.00 H new ATOM 0 HA LYS A 22 7.355 12.415 10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.735 12.829 9.566 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.773 14.234 10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.990 12.992 12.521 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.967 11.696 11.933 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.607 12.092 10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.635 11.432 12.187 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.673 10.246 10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.369 9.884 10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.320 8.237 11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.506 9.078 12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.862 9.429 12.528 1.00 0.00 H new ATOM 327 N ASP A 23 6.080 14.198 11.847 1.00 0.00 N ATOM 328 CA ASP A 23 5.474 15.106 12.814 1.00 0.00 C ATOM 329 C ASP A 23 6.368 15.273 14.038 1.00 0.00 C ATOM 330 O ASP A 23 7.488 14.762 14.076 1.00 0.00 O ATOM 331 CB ASP A 23 4.098 14.589 13.238 1.00 0.00 C ATOM 332 CG ASP A 23 3.196 15.695 13.747 1.00 0.00 C ATOM 333 OD1 ASP A 23 3.175 16.777 13.125 1.00 0.00 O ATOM 334 OD2 ASP A 23 2.510 15.479 14.769 1.00 0.00 O ATOM 0 H ASP A 23 5.489 13.411 11.579 1.00 0.00 H new ATOM 0 HA ASP A 23 5.357 16.079 12.337 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.621 14.096 12.391 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.220 13.836 14.017 1.00 0.00 H new ATOM 339 N SER A 24 5.867 15.992 15.038 1.00 0.00 N ATOM 340 CA SER A 24 6.622 16.230 16.262 1.00 0.00 C ATOM 341 C SER A 24 7.170 14.922 16.825 1.00 0.00 C ATOM 342 O SER A 24 8.373 14.664 16.770 1.00 0.00 O ATOM 343 CB SER A 24 5.740 16.918 17.305 1.00 0.00 C ATOM 344 OG SER A 24 5.191 18.121 16.796 1.00 0.00 O ATOM 0 H SER A 24 4.941 16.420 15.024 1.00 0.00 H new ATOM 0 HA SER A 24 7.462 16.882 16.021 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.936 16.246 17.606 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.327 17.132 18.198 1.00 0.00 H new ATOM 0 HG SER A 24 4.630 18.540 17.481 1.00 0.00 H new ATOM 350 N LYS A 25 6.279 14.100 17.368 1.00 0.00 N ATOM 351 CA LYS A 25 6.670 12.818 17.942 1.00 0.00 C ATOM 352 C LYS A 25 6.132 11.661 17.105 1.00 0.00 C ATOM 353 O LYS A 25 6.789 10.630 16.961 1.00 0.00 O ATOM 354 CB LYS A 25 6.159 12.702 19.380 1.00 0.00 C ATOM 355 CG LYS A 25 7.033 13.417 20.395 1.00 0.00 C ATOM 356 CD LYS A 25 8.151 12.520 20.900 1.00 0.00 C ATOM 357 CE LYS A 25 7.706 11.696 22.098 1.00 0.00 C ATOM 358 NZ LYS A 25 7.981 12.394 23.384 1.00 0.00 N ATOM 0 H LYS A 25 5.280 14.299 17.423 1.00 0.00 H new ATOM 0 HA LYS A 25 7.759 12.766 17.945 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.149 13.109 19.432 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.092 11.648 19.649 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.460 14.312 19.942 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.422 13.746 21.235 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.475 11.855 20.100 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.012 13.130 21.176 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.639 11.487 22.019 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.220 10.735 22.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.663 11.800 24.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.002 12.571 23.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.470 13.300 23.404 1.00 0.00 H new ATOM 372 N ARG A 26 4.936 11.840 16.556 1.00 0.00 N ATOM 373 CA ARG A 26 4.311 10.811 15.733 1.00 0.00 C ATOM 374 C ARG A 26 4.779 10.914 14.285 1.00 0.00 C ATOM 375 O ARG A 26 3.995 10.734 13.354 1.00 0.00 O ATOM 376 CB ARG A 26 2.787 10.933 15.798 1.00 0.00 C ATOM 377 CG ARG A 26 2.210 10.636 17.172 1.00 0.00 C ATOM 378 CD ARG A 26 2.432 9.184 17.568 1.00 0.00 C ATOM 379 NE ARG A 26 1.566 8.780 18.672 1.00 0.00 N ATOM 380 CZ ARG A 26 1.807 9.081 19.943 1.00 0.00 C ATOM 381 NH1 ARG A 26 2.881 9.787 20.269 1.00 0.00 N ATOM 382 NH2 ARG A 26 0.971 8.677 20.892 1.00 0.00 N ATOM 0 H ARG A 26 4.380 12.688 16.666 1.00 0.00 H new ATOM 0 HA ARG A 26 4.608 9.838 16.124 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.499 11.942 15.503 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.345 10.250 15.072 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.672 11.290 17.911 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.142 10.856 17.175 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.246 8.541 16.708 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.474 9.041 17.854 1.00 0.00 H new ATOM 0 HE ARG A 26 0.730 8.237 18.455 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.525 10.101 19.543 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.063 10.017 21.246 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.143 8.135 20.645 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.157 8.909 21.868 1.00 0.00 H new ATOM 396 N GLY A 27 6.063 11.206 14.102 1.00 0.00 N ATOM 397 CA GLY A 27 6.614 11.328 12.765 1.00 0.00 C ATOM 398 C GLY A 27 5.588 11.040 11.687 1.00 0.00 C ATOM 399 O GLY A 27 4.721 11.868 11.407 1.00 0.00 O ATOM 0 H GLY A 27 6.732 11.360 14.856 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.008 12.335 12.628 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.453 10.641 12.657 1.00 0.00 H new ATOM 403 N PHE A 28 5.686 9.862 11.080 1.00 0.00 N ATOM 404 CA PHE A 28 4.760 9.467 10.024 1.00 0.00 C ATOM 405 C PHE A 28 3.491 8.859 10.613 1.00 0.00 C ATOM 406 O PHE A 28 2.598 8.430 9.883 1.00 0.00 O ATOM 407 CB PHE A 28 5.428 8.465 9.080 1.00 0.00 C ATOM 408 CG PHE A 28 6.841 8.829 8.722 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.167 10.128 8.366 1.00 0.00 C ATOM 410 CD2 PHE A 28 7.843 7.872 8.743 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.466 10.464 8.036 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.144 8.203 8.415 1.00 0.00 C ATOM 413 CZ PHE A 28 9.456 9.502 8.061 1.00 0.00 C ATOM 0 H PHE A 28 6.397 9.164 11.301 1.00 0.00 H new ATOM 0 HA PHE A 28 4.487 10.360 9.462 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.422 7.480 9.546 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.838 8.390 8.167 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.398 10.886 8.346 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.604 6.855 9.019 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.707 11.480 7.758 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.916 7.448 8.435 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.472 9.764 7.805 1.00 0.00 H new ATOM 423 N GLY A 29 3.419 8.824 11.941 1.00 0.00 N ATOM 424 CA GLY A 29 2.256 8.266 12.606 1.00 0.00 C ATOM 425 C GLY A 29 1.799 6.964 11.980 1.00 0.00 C ATOM 426 O GLY A 29 0.642 6.833 11.579 1.00 0.00 O ATOM 0 H GLY A 29 4.145 9.172 12.567 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.489 8.098 13.658 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.440 8.988 12.571 1.00 0.00 H new ATOM 430 N ILE A 30 2.708 5.999 11.894 1.00 0.00 N ATOM 431 CA ILE A 30 2.392 4.701 11.311 1.00 0.00 C ATOM 432 C ILE A 30 3.134 3.580 12.030 1.00 0.00 C ATOM 433 O ILE A 30 4.241 3.776 12.531 1.00 0.00 O ATOM 434 CB ILE A 30 2.744 4.656 9.812 1.00 0.00 C ATOM 435 CG1 ILE A 30 4.016 5.461 9.541 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.586 5.188 8.980 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.835 4.926 8.386 1.00 0.00 C ATOM 0 H ILE A 30 3.670 6.092 12.221 1.00 0.00 H new ATOM 0 HA ILE A 30 1.318 4.556 11.428 1.00 0.00 H new ATOM 0 HB ILE A 30 2.925 3.620 9.527 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.744 6.496 9.334 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.631 5.467 10.441 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.850 5.150 7.923 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.701 4.577 9.155 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.377 6.219 9.265 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.722 5.545 8.251 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.137 3.901 8.599 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.236 4.946 7.475 1.00 0.00 H new ATOM 449 N ALA A 31 2.517 2.404 12.076 1.00 0.00 N ATOM 450 CA ALA A 31 3.120 1.249 12.730 1.00 0.00 C ATOM 451 C ALA A 31 3.050 0.014 11.838 1.00 0.00 C ATOM 452 O ALA A 31 2.040 -0.230 11.178 1.00 0.00 O ATOM 453 CB ALA A 31 2.437 0.981 14.062 1.00 0.00 C ATOM 0 H ALA A 31 1.599 2.226 11.668 1.00 0.00 H new ATOM 0 HA ALA A 31 4.171 1.473 12.912 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.897 0.116 14.539 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.545 1.852 14.708 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.378 0.782 13.895 1.00 0.00 H new ATOM 459 N VAL A 32 4.129 -0.762 11.824 1.00 0.00 N ATOM 460 CA VAL A 32 4.189 -1.973 11.013 1.00 0.00 C ATOM 461 C VAL A 32 4.062 -3.221 11.879 1.00 0.00 C ATOM 462 O VAL A 32 4.580 -3.269 12.995 1.00 0.00 O ATOM 463 CB VAL A 32 5.503 -2.048 10.213 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.511 -1.010 9.101 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.699 -1.862 11.135 1.00 0.00 C ATOM 0 H VAL A 32 4.973 -0.574 12.365 1.00 0.00 H new ATOM 0 HA VAL A 32 3.351 -1.930 10.317 1.00 0.00 H new ATOM 0 HB VAL A 32 5.575 -3.035 9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.447 -1.078 8.547 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.675 -1.194 8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.416 -0.014 9.533 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.619 -1.918 10.553 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.636 -0.889 11.621 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.700 -2.646 11.892 1.00 0.00 H new ATOM 475 N SER A 33 3.371 -4.229 11.358 1.00 0.00 N ATOM 476 CA SER A 33 3.173 -5.477 12.085 1.00 0.00 C ATOM 477 C SER A 33 3.434 -6.679 11.182 1.00 0.00 C ATOM 478 O SER A 33 3.121 -6.656 9.993 1.00 0.00 O ATOM 479 CB SER A 33 1.751 -5.546 12.645 1.00 0.00 C ATOM 480 OG SER A 33 1.705 -6.325 13.827 1.00 0.00 O ATOM 0 H SER A 33 2.939 -4.206 10.435 1.00 0.00 H new ATOM 0 HA SER A 33 3.883 -5.504 12.911 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.391 -4.539 12.855 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.083 -5.974 11.898 1.00 0.00 H new ATOM 0 HG SER A 33 0.786 -6.352 14.166 1.00 0.00 H new ATOM 486 N GLY A 34 4.012 -7.729 11.758 1.00 0.00 N ATOM 487 CA GLY A 34 4.307 -8.926 10.992 1.00 0.00 C ATOM 488 C GLY A 34 5.745 -8.967 10.512 1.00 0.00 C ATOM 489 O GLY A 34 6.614 -8.303 11.075 1.00 0.00 O ATOM 0 H GLY A 34 4.281 -7.772 12.741 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.107 -9.805 11.605 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.639 -8.978 10.133 1.00 0.00 H new ATOM 493 N GLY A 35 5.996 -9.753 9.469 1.00 0.00 N ATOM 494 CA GLY A 35 7.340 -9.865 8.933 1.00 0.00 C ATOM 495 C GLY A 35 7.542 -11.140 8.138 1.00 0.00 C ATOM 496 O GLY A 35 6.690 -12.029 8.150 1.00 0.00 O ATOM 0 H GLY A 35 5.293 -10.313 8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.546 -9.006 8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.058 -9.833 9.752 1.00 0.00 H new ATOM 500 N ARG A 36 8.672 -11.231 7.445 1.00 0.00 N ATOM 501 CA ARG A 36 8.982 -12.405 6.639 1.00 0.00 C ATOM 502 C ARG A 36 9.116 -13.647 7.516 1.00 0.00 C ATOM 503 O ARG A 36 8.666 -14.732 7.146 1.00 0.00 O ATOM 504 CB ARG A 36 10.274 -12.183 5.850 1.00 0.00 C ATOM 505 CG ARG A 36 11.504 -12.022 6.729 1.00 0.00 C ATOM 506 CD ARG A 36 12.784 -12.063 5.909 1.00 0.00 C ATOM 507 NE ARG A 36 12.991 -13.366 5.283 1.00 0.00 N ATOM 508 CZ ARG A 36 14.150 -13.758 4.767 1.00 0.00 C ATOM 509 NH1 ARG A 36 15.202 -12.951 4.803 1.00 0.00 N ATOM 510 NH2 ARG A 36 14.260 -14.959 4.213 1.00 0.00 N ATOM 0 H ARG A 36 9.388 -10.505 7.426 1.00 0.00 H new ATOM 0 HA ARG A 36 8.160 -12.561 5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.427 -13.026 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.163 -11.294 5.229 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.446 -11.076 7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.524 -12.815 7.477 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.746 -11.293 5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.634 -11.830 6.551 1.00 0.00 H new ATOM 0 HE ARG A 36 12.202 -14.011 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.122 -12.027 5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.091 -13.254 4.406 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.453 -15.583 4.183 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.151 -15.258 3.817 1.00 0.00 H new ATOM 524 N ASP A 37 9.736 -13.479 8.678 1.00 0.00 N ATOM 525 CA ASP A 37 9.929 -14.586 9.608 1.00 0.00 C ATOM 526 C ASP A 37 8.867 -14.567 10.703 1.00 0.00 C ATOM 527 O ASP A 37 8.702 -15.539 11.438 1.00 0.00 O ATOM 528 CB ASP A 37 11.324 -14.518 10.232 1.00 0.00 C ATOM 529 CG ASP A 37 12.381 -15.163 9.358 1.00 0.00 C ATOM 530 OD1 ASP A 37 12.259 -16.373 9.072 1.00 0.00 O ATOM 531 OD2 ASP A 37 13.331 -14.457 8.958 1.00 0.00 O ATOM 0 H ASP A 37 10.114 -12.588 8.999 1.00 0.00 H new ATOM 0 HA ASP A 37 9.834 -15.518 9.051 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.589 -13.476 10.409 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.309 -15.012 11.203 1.00 0.00 H new ATOM 536 N ASN A 38 8.150 -13.452 10.806 1.00 0.00 N ATOM 537 CA ASN A 38 7.105 -13.305 11.812 1.00 0.00 C ATOM 538 C ASN A 38 5.827 -12.748 11.192 1.00 0.00 C ATOM 539 O ASN A 38 5.325 -11.695 11.584 1.00 0.00 O ATOM 540 CB ASN A 38 7.580 -12.387 12.940 1.00 0.00 C ATOM 541 CG ASN A 38 6.592 -12.326 14.090 1.00 0.00 C ATOM 542 OD1 ASN A 38 5.654 -11.529 14.075 1.00 0.00 O ATOM 543 ND2 ASN A 38 6.801 -13.170 15.094 1.00 0.00 N ATOM 0 H ASN A 38 8.274 -12.637 10.205 1.00 0.00 H new ATOM 0 HA ASN A 38 6.889 -14.292 12.222 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.543 -12.739 13.310 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.737 -11.383 12.546 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.170 -13.175 15.896 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.592 -13.813 15.063 1.00 0.00 H new ATOM 550 N PRO A 39 5.287 -13.472 10.200 1.00 0.00 N ATOM 551 CA PRO A 39 4.060 -13.071 9.505 1.00 0.00 C ATOM 552 C PRO A 39 2.826 -13.187 10.393 1.00 0.00 C ATOM 553 O PRO A 39 2.069 -14.153 10.298 1.00 0.00 O ATOM 554 CB PRO A 39 3.974 -14.059 8.339 1.00 0.00 C ATOM 555 CG PRO A 39 4.729 -15.257 8.801 1.00 0.00 C ATOM 556 CD PRO A 39 5.832 -14.738 9.681 1.00 0.00 C ATOM 0 HA PRO A 39 4.090 -12.026 9.196 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.939 -14.309 8.107 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.412 -13.641 7.433 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.080 -15.939 9.350 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.134 -15.813 7.955 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.066 -15.435 10.486 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.753 -14.579 9.120 1.00 0.00 H new ATOM 564 N HIS A 40 2.630 -12.196 11.257 1.00 0.00 N ATOM 565 CA HIS A 40 1.486 -12.187 12.163 1.00 0.00 C ATOM 566 C HIS A 40 0.195 -12.493 11.410 1.00 0.00 C ATOM 567 O HIS A 40 -0.643 -13.262 11.881 1.00 0.00 O ATOM 568 CB HIS A 40 1.373 -10.832 12.862 1.00 0.00 C ATOM 569 CG HIS A 40 -0.026 -10.479 13.262 1.00 0.00 C ATOM 570 ND1 HIS A 40 -0.923 -11.403 13.756 1.00 0.00 N ATOM 571 CD2 HIS A 40 -0.681 -9.295 13.242 1.00 0.00 C ATOM 572 CE1 HIS A 40 -2.070 -10.802 14.020 1.00 0.00 C ATOM 573 NE2 HIS A 40 -1.949 -9.522 13.717 1.00 0.00 N ATOM 0 H HIS A 40 3.248 -11.389 11.349 1.00 0.00 H new ATOM 0 HA HIS A 40 1.641 -12.962 12.913 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.006 -10.837 13.750 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.759 -10.057 12.199 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -0.731 -12.395 13.896 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.281 -8.347 12.913 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.956 -11.277 14.416 1.00 0.00 H new ATOM 582 N PHE A 41 0.040 -11.886 10.238 1.00 0.00 N ATOM 583 CA PHE A 41 -1.149 -12.092 9.420 1.00 0.00 C ATOM 584 C PHE A 41 -1.642 -13.533 9.530 1.00 0.00 C ATOM 585 O PHE A 41 -1.121 -14.429 8.867 1.00 0.00 O ATOM 586 CB PHE A 41 -0.855 -11.752 7.958 1.00 0.00 C ATOM 587 CG PHE A 41 -2.033 -11.171 7.229 1.00 0.00 C ATOM 588 CD1 PHE A 41 -3.320 -11.593 7.518 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.852 -10.204 6.254 1.00 0.00 C ATOM 590 CE1 PHE A 41 -4.406 -11.060 6.849 1.00 0.00 C ATOM 591 CE2 PHE A 41 -2.934 -9.667 5.582 1.00 0.00 C ATOM 592 CZ PHE A 41 -4.212 -10.097 5.879 1.00 0.00 C ATOM 0 H PHE A 41 0.724 -11.247 9.833 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.932 -11.429 9.789 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.027 -11.044 7.917 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.528 -12.655 7.442 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.477 -12.347 8.275 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.854 -9.866 6.016 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.405 -11.396 7.085 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.780 -8.912 4.825 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.059 -9.681 5.353 1.00 0.00 H new ATOM 602 N GLU A 42 -2.647 -13.745 10.373 1.00 0.00 N ATOM 603 CA GLU A 42 -3.209 -15.077 10.571 1.00 0.00 C ATOM 604 C GLU A 42 -3.162 -15.885 9.277 1.00 0.00 C ATOM 605 O GLU A 42 -2.961 -17.098 9.298 1.00 0.00 O ATOM 606 CB GLU A 42 -4.651 -14.977 11.071 1.00 0.00 C ATOM 607 CG GLU A 42 -5.454 -13.876 10.399 1.00 0.00 C ATOM 608 CD GLU A 42 -6.921 -13.908 10.780 1.00 0.00 C ATOM 609 OE1 GLU A 42 -7.682 -14.667 10.143 1.00 0.00 O ATOM 610 OE2 GLU A 42 -7.309 -13.175 11.713 1.00 0.00 O ATOM 0 H GLU A 42 -3.089 -13.013 10.929 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.607 -15.590 11.321 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.151 -15.932 10.906 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.642 -14.803 12.147 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.033 -12.908 10.670 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.361 -13.972 9.317 1.00 0.00 H new ATOM 617 N ASN A 43 -3.350 -15.201 8.153 1.00 0.00 N ATOM 618 CA ASN A 43 -3.331 -15.855 6.849 1.00 0.00 C ATOM 619 C ASN A 43 -1.954 -16.443 6.556 1.00 0.00 C ATOM 620 O ASN A 43 -1.816 -17.643 6.324 1.00 0.00 O ATOM 621 CB ASN A 43 -3.718 -14.862 5.752 1.00 0.00 C ATOM 622 CG ASN A 43 -5.220 -14.767 5.561 1.00 0.00 C ATOM 623 OD1 ASN A 43 -5.873 -13.886 6.120 1.00 0.00 O ATOM 624 ND2 ASN A 43 -5.774 -15.678 4.769 1.00 0.00 N ATOM 0 H ASN A 43 -3.517 -14.195 8.119 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.057 -16.668 6.867 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.323 -13.877 6.002 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.253 -15.163 4.813 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.780 -15.666 4.603 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.193 -16.390 4.326 1.00 0.00 H new ATOM 631 N GLY A 44 -0.936 -15.587 6.568 1.00 0.00 N ATOM 632 CA GLY A 44 0.417 -16.040 6.302 1.00 0.00 C ATOM 633 C GLY A 44 1.109 -15.208 5.241 1.00 0.00 C ATOM 634 O GLY A 44 1.943 -15.716 4.492 1.00 0.00 O ATOM 0 H GLY A 44 -1.024 -14.589 6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.997 -16.003 7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.392 -17.082 5.983 1.00 0.00 H new ATOM 638 N GLU A 45 0.760 -13.927 5.175 1.00 0.00 N ATOM 639 CA GLU A 45 1.353 -13.024 4.195 1.00 0.00 C ATOM 640 C GLU A 45 2.638 -12.404 4.734 1.00 0.00 C ATOM 641 O GLU A 45 2.619 -11.663 5.718 1.00 0.00 O ATOM 642 CB GLU A 45 0.360 -11.923 3.818 1.00 0.00 C ATOM 643 CG GLU A 45 0.821 -11.061 2.654 1.00 0.00 C ATOM 644 CD GLU A 45 0.380 -11.609 1.311 1.00 0.00 C ATOM 645 OE1 GLU A 45 1.005 -12.578 0.831 1.00 0.00 O ATOM 646 OE2 GLU A 45 -0.591 -11.070 0.741 1.00 0.00 O ATOM 0 H GLU A 45 0.071 -13.491 5.788 1.00 0.00 H new ATOM 0 HA GLU A 45 1.597 -13.604 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.597 -12.379 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.190 -11.286 4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.429 -10.052 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.908 -10.985 2.672 1.00 0.00 H new ATOM 653 N THR A 46 3.756 -12.712 4.083 1.00 0.00 N ATOM 654 CA THR A 46 5.051 -12.187 4.497 1.00 0.00 C ATOM 655 C THR A 46 5.300 -10.806 3.901 1.00 0.00 C ATOM 656 O THR A 46 6.377 -10.533 3.372 1.00 0.00 O ATOM 657 CB THR A 46 6.198 -13.127 4.080 1.00 0.00 C ATOM 658 OG1 THR A 46 6.075 -13.466 2.695 1.00 0.00 O ATOM 659 CG2 THR A 46 6.189 -14.395 4.920 1.00 0.00 C ATOM 0 H THR A 46 3.790 -13.323 3.267 1.00 0.00 H new ATOM 0 HA THR A 46 5.029 -12.113 5.584 1.00 0.00 H new ATOM 0 HB THR A 46 7.142 -12.607 4.243 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.809 -14.062 2.438 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.007 -15.044 4.608 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.312 -14.136 5.972 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.241 -14.915 4.783 1.00 0.00 H new ATOM 667 N SER A 47 4.298 -9.937 3.992 1.00 0.00 N ATOM 668 CA SER A 47 4.407 -8.585 3.459 1.00 0.00 C ATOM 669 C SER A 47 4.075 -7.550 4.530 1.00 0.00 C ATOM 670 O SER A 47 2.950 -7.495 5.027 1.00 0.00 O ATOM 671 CB SER A 47 3.476 -8.410 2.258 1.00 0.00 C ATOM 672 OG SER A 47 4.027 -9.003 1.095 1.00 0.00 O ATOM 0 H SER A 47 3.401 -10.146 4.430 1.00 0.00 H new ATOM 0 HA SER A 47 5.437 -8.431 3.136 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.508 -8.861 2.476 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.301 -7.349 2.081 1.00 0.00 H new ATOM 0 HG SER A 47 3.412 -8.879 0.342 1.00 0.00 H new ATOM 678 N ILE A 48 5.062 -6.732 4.880 1.00 0.00 N ATOM 679 CA ILE A 48 4.874 -5.699 5.891 1.00 0.00 C ATOM 680 C ILE A 48 3.629 -4.867 5.603 1.00 0.00 C ATOM 681 O ILE A 48 3.382 -4.473 4.463 1.00 0.00 O ATOM 682 CB ILE A 48 6.095 -4.763 5.972 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.361 -5.566 6.274 1.00 0.00 C ATOM 684 CG2 ILE A 48 5.873 -3.694 7.031 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.271 -6.381 7.545 1.00 0.00 C ATOM 0 H ILE A 48 5.999 -6.765 4.479 1.00 0.00 H new ATOM 0 HA ILE A 48 4.753 -6.210 6.846 1.00 0.00 H new ATOM 0 HB ILE A 48 6.222 -4.270 5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.566 -6.234 5.437 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.206 -4.882 6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.744 -3.040 7.076 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.991 -3.106 6.775 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.724 -4.168 8.001 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.204 -6.924 7.696 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.097 -5.717 8.392 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.447 -7.090 7.465 1.00 0.00 H new ATOM 697 N VAL A 49 2.846 -4.603 6.644 1.00 0.00 N ATOM 698 CA VAL A 49 1.627 -3.816 6.505 1.00 0.00 C ATOM 699 C VAL A 49 1.470 -2.835 7.662 1.00 0.00 C ATOM 700 O VAL A 49 1.914 -3.103 8.779 1.00 0.00 O ATOM 701 CB VAL A 49 0.381 -4.718 6.438 1.00 0.00 C ATOM 702 CG1 VAL A 49 0.055 -5.073 4.995 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.588 -5.974 7.271 1.00 0.00 C ATOM 0 H VAL A 49 3.035 -4.923 7.594 1.00 0.00 H new ATOM 0 HA VAL A 49 1.714 -3.260 5.571 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.466 -4.170 6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.828 -5.711 4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.139 -4.161 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.898 -5.602 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.302 -6.600 7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.446 -6.527 6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.769 -5.696 8.309 1.00 0.00 H new ATOM 713 N ILE A 50 0.836 -1.701 7.387 1.00 0.00 N ATOM 714 CA ILE A 50 0.618 -0.682 8.406 1.00 0.00 C ATOM 715 C ILE A 50 -0.605 -1.007 9.257 1.00 0.00 C ATOM 716 O ILE A 50 -1.739 -0.741 8.859 1.00 0.00 O ATOM 717 CB ILE A 50 0.437 0.713 7.778 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.749 1.188 7.152 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.048 1.706 8.824 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.790 1.601 8.169 1.00 0.00 C ATOM 0 H ILE A 50 0.464 -1.464 6.467 1.00 0.00 H new ATOM 0 HA ILE A 50 1.506 -0.674 9.039 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.315 0.647 6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.156 0.390 6.531 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.543 2.031 6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.171 2.687 8.365 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.004 1.372 9.228 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.683 1.772 9.630 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.694 1.926 7.653 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.403 2.421 8.774 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.025 0.754 8.814 1.00 0.00 H new ATOM 732 N SER A 51 -0.366 -1.581 10.432 1.00 0.00 N ATOM 733 CA SER A 51 -1.448 -1.944 11.339 1.00 0.00 C ATOM 734 C SER A 51 -1.788 -0.785 12.271 1.00 0.00 C ATOM 735 O SER A 51 -2.392 -0.979 13.326 1.00 0.00 O ATOM 736 CB SER A 51 -1.063 -3.177 12.159 1.00 0.00 C ATOM 737 OG SER A 51 -2.210 -3.917 12.537 1.00 0.00 O ATOM 0 H SER A 51 0.567 -1.804 10.778 1.00 0.00 H new ATOM 0 HA SER A 51 -2.329 -2.176 10.740 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.394 -3.810 11.577 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.516 -2.869 13.050 1.00 0.00 H new ATOM 0 HG SER A 51 -1.937 -4.700 13.059 1.00 0.00 H new ATOM 743 N ASP A 52 -1.396 0.420 11.873 1.00 0.00 N ATOM 744 CA ASP A 52 -1.659 1.612 12.670 1.00 0.00 C ATOM 745 C ASP A 52 -1.506 2.874 11.828 1.00 0.00 C ATOM 746 O ASP A 52 -0.451 3.120 11.244 1.00 0.00 O ATOM 747 CB ASP A 52 -0.712 1.668 13.871 1.00 0.00 C ATOM 748 CG ASP A 52 -1.187 2.634 14.938 1.00 0.00 C ATOM 749 OD1 ASP A 52 -1.067 3.859 14.726 1.00 0.00 O ATOM 750 OD2 ASP A 52 -1.679 2.165 15.985 1.00 0.00 O ATOM 0 H ASP A 52 -0.895 0.597 11.003 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.687 1.559 13.029 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.618 0.672 14.303 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.281 1.964 13.533 1.00 0.00 H new ATOM 755 N VAL A 53 -2.568 3.672 11.768 1.00 0.00 N ATOM 756 CA VAL A 53 -2.553 4.909 10.997 1.00 0.00 C ATOM 757 C VAL A 53 -3.167 6.058 11.789 1.00 0.00 C ATOM 758 O VAL A 53 -4.383 6.252 11.782 1.00 0.00 O ATOM 759 CB VAL A 53 -3.315 4.752 9.668 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.504 6.104 8.998 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.583 3.788 8.746 1.00 0.00 C ATOM 0 H VAL A 53 -3.450 3.483 12.245 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.508 5.136 10.784 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.301 4.338 9.880 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.044 5.973 8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.073 6.760 9.656 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.530 6.549 8.796 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.135 3.688 7.811 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.584 4.171 8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.505 2.813 9.227 1.00 0.00 H new ATOM 771 N LEU A 54 -2.318 6.819 12.472 1.00 0.00 N ATOM 772 CA LEU A 54 -2.776 7.950 13.270 1.00 0.00 C ATOM 773 C LEU A 54 -3.907 8.692 12.564 1.00 0.00 C ATOM 774 O LEU A 54 -3.716 9.318 11.522 1.00 0.00 O ATOM 775 CB LEU A 54 -1.616 8.909 13.545 1.00 0.00 C ATOM 776 CG LEU A 54 -1.692 9.697 14.853 1.00 0.00 C ATOM 777 CD1 LEU A 54 -1.462 8.778 16.043 1.00 0.00 C ATOM 778 CD2 LEU A 54 -0.680 10.833 14.851 1.00 0.00 C ATOM 0 H LEU A 54 -1.309 6.673 12.489 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.154 7.565 14.217 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.689 8.336 13.543 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.554 9.618 12.720 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.690 10.127 14.939 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.520 9.356 16.965 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.225 7.999 16.054 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.476 8.319 15.963 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.748 11.383 15.790 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.325 10.425 14.742 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.890 11.506 14.020 1.00 0.00 H new ATOM 790 N PRO A 55 -5.114 8.622 13.146 1.00 0.00 N ATOM 791 CA PRO A 55 -6.299 9.283 12.591 1.00 0.00 C ATOM 792 C PRO A 55 -6.223 10.801 12.706 1.00 0.00 C ATOM 793 O PRO A 55 -7.056 11.518 12.152 1.00 0.00 O ATOM 794 CB PRO A 55 -7.443 8.738 13.449 1.00 0.00 C ATOM 795 CG PRO A 55 -6.801 8.357 14.739 1.00 0.00 C ATOM 796 CD PRO A 55 -5.414 7.893 14.389 1.00 0.00 C ATOM 0 HA PRO A 55 -6.415 9.085 11.526 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.218 9.490 13.599 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.919 7.880 12.975 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.768 9.204 15.424 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.363 7.567 15.236 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.700 8.131 15.177 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.377 6.814 14.241 1.00 0.00 H new ATOM 804 N GLY A 56 -5.218 11.286 13.429 1.00 0.00 N ATOM 805 CA GLY A 56 -5.052 12.717 13.603 1.00 0.00 C ATOM 806 C GLY A 56 -3.658 13.188 13.239 1.00 0.00 C ATOM 807 O GLY A 56 -3.264 14.303 13.577 1.00 0.00 O ATOM 0 H GLY A 56 -4.516 10.713 13.897 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.782 13.242 12.987 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.262 12.981 14.640 1.00 0.00 H new ATOM 811 N GLY A 57 -2.909 12.334 12.547 1.00 0.00 N ATOM 812 CA GLY A 57 -1.558 12.686 12.150 1.00 0.00 C ATOM 813 C GLY A 57 -1.419 12.850 10.650 1.00 0.00 C ATOM 814 O GLY A 57 -2.401 13.034 9.930 1.00 0.00 O ATOM 0 H GLY A 57 -3.214 11.406 12.255 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.268 13.614 12.642 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.869 11.914 12.493 1.00 0.00 H new ATOM 818 N PRO A 58 -0.173 12.784 10.156 1.00 0.00 N ATOM 819 CA PRO A 58 0.120 12.924 8.727 1.00 0.00 C ATOM 820 C PRO A 58 -0.370 11.731 7.914 1.00 0.00 C ATOM 821 O PRO A 58 -0.802 11.881 6.772 1.00 0.00 O ATOM 822 CB PRO A 58 1.648 13.008 8.685 1.00 0.00 C ATOM 823 CG PRO A 58 2.100 12.303 9.918 1.00 0.00 C ATOM 824 CD PRO A 58 1.044 12.566 10.956 1.00 0.00 C ATOM 0 HA PRO A 58 -0.381 13.789 8.292 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.046 12.533 7.789 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.987 14.044 8.674 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.212 11.234 9.737 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.071 12.674 10.246 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.931 11.723 11.637 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.287 13.437 11.564 1.00 0.00 H new ATOM 832 N ALA A 59 -0.301 10.546 8.511 1.00 0.00 N ATOM 833 CA ALA A 59 -0.741 9.327 7.843 1.00 0.00 C ATOM 834 C ALA A 59 -2.242 9.357 7.578 1.00 0.00 C ATOM 835 O ALA A 59 -2.709 8.883 6.542 1.00 0.00 O ATOM 836 CB ALA A 59 -0.375 8.107 8.676 1.00 0.00 C ATOM 0 H ALA A 59 0.055 10.404 9.456 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.230 9.264 6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.710 7.204 8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.706 8.069 8.810 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.859 8.173 9.650 1.00 0.00 H new ATOM 842 N ASP A 60 -2.994 9.917 8.520 1.00 0.00 N ATOM 843 CA ASP A 60 -4.443 10.009 8.387 1.00 0.00 C ATOM 844 C ASP A 60 -4.829 10.566 7.021 1.00 0.00 C ATOM 845 O ASP A 60 -4.974 11.776 6.850 1.00 0.00 O ATOM 846 CB ASP A 60 -5.022 10.892 9.494 1.00 0.00 C ATOM 847 CG ASP A 60 -6.260 11.644 9.046 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.042 11.080 8.253 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.446 12.797 9.488 1.00 0.00 O ATOM 0 H ASP A 60 -2.624 10.314 9.384 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.857 9.005 8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.269 10.273 10.357 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.265 11.605 9.819 1.00 0.00 H new ATOM 854 N GLY A 61 -4.994 9.674 6.048 1.00 0.00 N ATOM 855 CA GLY A 61 -5.360 10.096 4.709 1.00 0.00 C ATOM 856 C GLY A 61 -4.392 9.592 3.657 1.00 0.00 C ATOM 857 O GLY A 61 -4.801 8.995 2.661 1.00 0.00 O ATOM 0 H GLY A 61 -4.881 8.667 6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.362 9.735 4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.397 11.185 4.672 1.00 0.00 H new ATOM 861 N LEU A 62 -3.104 9.834 3.877 1.00 0.00 N ATOM 862 CA LEU A 62 -2.074 9.403 2.939 1.00 0.00 C ATOM 863 C LEU A 62 -2.027 7.881 2.844 1.00 0.00 C ATOM 864 O LEU A 62 -2.035 7.315 1.750 1.00 0.00 O ATOM 865 CB LEU A 62 -0.708 9.941 3.368 1.00 0.00 C ATOM 866 CG LEU A 62 -0.584 11.462 3.458 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.694 11.852 4.185 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.620 12.083 2.069 1.00 0.00 C ATOM 0 H LEU A 62 -2.749 10.326 4.697 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.322 9.803 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.463 9.518 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.041 9.576 2.665 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.432 11.843 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.765 12.938 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.680 11.439 5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.555 11.459 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.531 13.166 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.208 11.695 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.563 11.833 1.583 1.00 0.00 H new ATOM 880 N LEU A 63 -1.979 7.223 3.997 1.00 0.00 N ATOM 881 CA LEU A 63 -1.933 5.766 4.045 1.00 0.00 C ATOM 882 C LEU A 63 -3.138 5.207 4.795 1.00 0.00 C ATOM 883 O LEU A 63 -3.906 5.956 5.399 1.00 0.00 O ATOM 884 CB LEU A 63 -0.640 5.298 4.716 1.00 0.00 C ATOM 885 CG LEU A 63 0.636 5.439 3.884 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.863 5.169 4.741 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.600 4.498 2.689 1.00 0.00 C ATOM 0 H LEU A 63 -1.971 7.675 4.911 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.960 5.393 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.511 5.859 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.756 4.250 4.992 1.00 0.00 H new ATOM 0 HG LEU A 63 0.695 6.462 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.762 5.274 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.896 5.883 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.812 4.156 5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.516 4.612 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.518 3.469 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.259 4.738 2.063 1.00 0.00 H new ATOM 899 N GLN A 64 -3.296 3.888 4.754 1.00 0.00 N ATOM 900 CA GLN A 64 -4.407 3.230 5.430 1.00 0.00 C ATOM 901 C GLN A 64 -3.942 1.956 6.128 1.00 0.00 C ATOM 902 O GLN A 64 -2.833 1.477 5.890 1.00 0.00 O ATOM 903 CB GLN A 64 -5.518 2.902 4.432 1.00 0.00 C ATOM 904 CG GLN A 64 -6.160 4.132 3.810 1.00 0.00 C ATOM 905 CD GLN A 64 -7.175 3.783 2.740 1.00 0.00 C ATOM 906 OE1 GLN A 64 -6.736 3.047 1.725 1.00 0.00 O flip ATOM 907 NE2 GLN A 64 -8.340 4.171 2.823 1.00 0.00 N flip ATOM 0 H GLN A 64 -2.668 3.254 4.260 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.797 3.914 6.184 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.109 2.275 3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.287 2.317 4.936 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.647 4.717 4.590 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.384 4.763 3.377 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.634 4.735 3.621 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.011 3.929 2.094 1.00 0.00 H new ATOM 916 N GLU A 65 -4.796 1.413 6.990 1.00 0.00 N ATOM 917 CA GLU A 65 -4.471 0.195 7.722 1.00 0.00 C ATOM 918 C GLU A 65 -4.407 -1.005 6.782 1.00 0.00 C ATOM 919 O GLU A 65 -5.277 -1.186 5.930 1.00 0.00 O ATOM 920 CB GLU A 65 -5.505 -0.058 8.820 1.00 0.00 C ATOM 921 CG GLU A 65 -4.931 -0.736 10.053 1.00 0.00 C ATOM 922 CD GLU A 65 -5.953 -1.591 10.777 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.947 -1.996 10.138 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.759 -1.856 11.982 1.00 0.00 O ATOM 0 H GLU A 65 -5.718 1.797 7.198 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.491 0.328 8.180 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.951 0.892 9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.307 -0.676 8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.085 -1.357 9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.549 0.023 10.736 1.00 0.00 H new ATOM 931 N ASN A 66 -3.371 -1.822 6.943 1.00 0.00 N ATOM 932 CA ASN A 66 -3.193 -3.004 6.108 1.00 0.00 C ATOM 933 C ASN A 66 -2.765 -2.614 4.696 1.00 0.00 C ATOM 934 O ASN A 66 -3.188 -3.228 3.716 1.00 0.00 O ATOM 935 CB ASN A 66 -4.489 -3.816 6.054 1.00 0.00 C ATOM 936 CG ASN A 66 -5.238 -3.797 7.372 1.00 0.00 C ATOM 937 OD1 ASN A 66 -4.724 -4.244 8.398 1.00 0.00 O ATOM 938 ND2 ASN A 66 -6.461 -3.279 7.350 1.00 0.00 N ATOM 0 H ASN A 66 -2.642 -1.687 7.644 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.407 -3.616 6.551 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.131 -3.418 5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.258 -4.847 5.785 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.014 -3.240 8.206 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.847 -2.920 6.477 1.00 0.00 H new ATOM 945 N ASP A 67 -1.924 -1.591 4.601 1.00 0.00 N ATOM 946 CA ASP A 67 -1.436 -1.119 3.310 1.00 0.00 C ATOM 947 C ASP A 67 -0.241 -1.945 2.846 1.00 0.00 C ATOM 948 O ASP A 67 0.910 -1.567 3.066 1.00 0.00 O ATOM 949 CB ASP A 67 -1.049 0.358 3.396 1.00 0.00 C ATOM 950 CG ASP A 67 0.125 0.596 4.325 1.00 0.00 C ATOM 951 OD1 ASP A 67 0.473 -0.329 5.090 1.00 0.00 O ATOM 952 OD2 ASP A 67 0.696 1.705 4.287 1.00 0.00 O ATOM 0 H ASP A 67 -1.565 -1.072 5.403 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.239 -1.234 2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.800 0.724 2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.906 0.935 3.743 1.00 0.00 H new ATOM 957 N ARG A 68 -0.522 -3.074 2.204 1.00 0.00 N ATOM 958 CA ARG A 68 0.530 -3.955 1.711 1.00 0.00 C ATOM 959 C ARG A 68 1.723 -3.148 1.207 1.00 0.00 C ATOM 960 O ARG A 68 1.717 -2.646 0.083 1.00 0.00 O ATOM 961 CB ARG A 68 -0.006 -4.847 0.589 1.00 0.00 C ATOM 962 CG ARG A 68 -0.511 -6.196 1.072 1.00 0.00 C ATOM 963 CD ARG A 68 -1.595 -6.040 2.128 1.00 0.00 C ATOM 964 NE ARG A 68 -2.573 -7.123 2.071 1.00 0.00 N ATOM 965 CZ ARG A 68 -3.822 -7.008 2.511 1.00 0.00 C ATOM 966 NH1 ARG A 68 -4.241 -5.866 3.036 1.00 0.00 N ATOM 967 NH2 ARG A 68 -4.654 -8.039 2.425 1.00 0.00 N ATOM 0 H ARG A 68 -1.469 -3.400 2.013 1.00 0.00 H new ATOM 0 HA ARG A 68 0.861 -4.583 2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.817 -4.327 0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.783 -5.006 -0.146 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.903 -6.763 0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.319 -6.770 1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.137 -6.016 3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.102 -5.085 1.989 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.282 -8.016 1.672 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.605 -5.072 3.103 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.200 -5.781 3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.335 -8.920 2.021 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.612 -7.950 2.763 1.00 0.00 H new ATOM 981 N VAL A 69 2.746 -3.027 2.048 1.00 0.00 N ATOM 982 CA VAL A 69 3.946 -2.281 1.688 1.00 0.00 C ATOM 983 C VAL A 69 4.759 -3.024 0.634 1.00 0.00 C ATOM 984 O VAL A 69 4.875 -4.249 0.673 1.00 0.00 O ATOM 985 CB VAL A 69 4.836 -2.023 2.919 1.00 0.00 C ATOM 986 CG1 VAL A 69 6.106 -1.289 2.515 1.00 0.00 C ATOM 987 CG2 VAL A 69 4.070 -1.239 3.974 1.00 0.00 C ATOM 0 H VAL A 69 2.767 -3.436 2.982 1.00 0.00 H new ATOM 0 HA VAL A 69 3.615 -1.326 1.281 1.00 0.00 H new ATOM 0 HB VAL A 69 5.121 -2.984 3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.722 -1.115 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.662 -1.892 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.845 -0.333 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.713 -1.065 4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.754 -0.282 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.193 -1.807 4.284 1.00 0.00 H new ATOM 997 N VAL A 70 5.322 -2.274 -0.308 1.00 0.00 N ATOM 998 CA VAL A 70 6.127 -2.861 -1.373 1.00 0.00 C ATOM 999 C VAL A 70 7.529 -2.264 -1.395 1.00 0.00 C ATOM 1000 O VAL A 70 8.524 -2.987 -1.343 1.00 0.00 O ATOM 1001 CB VAL A 70 5.471 -2.654 -2.751 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.225 -3.426 -3.823 1.00 0.00 C ATOM 1003 CG2 VAL A 70 4.008 -3.070 -2.713 1.00 0.00 C ATOM 0 H VAL A 70 5.236 -1.259 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 70 6.194 -3.929 -1.167 1.00 0.00 H new ATOM 0 HB VAL A 70 5.517 -1.594 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.747 -3.268 -4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.256 -3.075 -3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.213 -4.489 -3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.561 -2.917 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.936 -4.123 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.478 -2.468 -1.975 1.00 0.00 H new ATOM 1013 N MET A 71 7.601 -0.939 -1.472 1.00 0.00 N ATOM 1014 CA MET A 71 8.883 -0.244 -1.500 1.00 0.00 C ATOM 1015 C MET A 71 8.857 0.979 -0.588 1.00 0.00 C ATOM 1016 O MET A 71 7.805 1.577 -0.365 1.00 0.00 O ATOM 1017 CB MET A 71 9.228 0.178 -2.929 1.00 0.00 C ATOM 1018 CG MET A 71 10.383 1.163 -3.010 1.00 0.00 C ATOM 1019 SD MET A 71 11.245 1.095 -4.591 1.00 0.00 S ATOM 1020 CE MET A 71 12.251 -0.370 -4.366 1.00 0.00 C ATOM 0 H MET A 71 6.787 -0.325 -1.516 1.00 0.00 H new ATOM 0 HA MET A 71 9.648 -0.930 -1.138 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.477 -0.709 -3.511 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.347 0.625 -3.390 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.006 2.173 -2.850 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.089 0.955 -2.206 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.296 -0.128 -4.561 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.147 -0.729 -3.342 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.923 -1.146 -5.058 1.00 0.00 H new ATOM 1030 N VAL A 72 10.023 1.345 -0.064 1.00 0.00 N ATOM 1031 CA VAL A 72 10.134 2.497 0.823 1.00 0.00 C ATOM 1032 C VAL A 72 11.423 3.268 0.564 1.00 0.00 C ATOM 1033 O VAL A 72 12.512 2.810 0.908 1.00 0.00 O ATOM 1034 CB VAL A 72 10.091 2.073 2.303 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.293 3.277 3.210 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.778 1.372 2.618 1.00 0.00 C ATOM 0 H VAL A 72 10.903 0.860 -0.238 1.00 0.00 H new ATOM 0 HA VAL A 72 9.280 3.141 0.613 1.00 0.00 H new ATOM 0 HB VAL A 72 10.904 1.371 2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.259 2.958 4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.261 3.732 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.503 4.006 3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.765 1.079 3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.947 2.049 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.680 0.485 1.993 1.00 0.00 H new ATOM 1046 N ASN A 73 11.293 4.442 -0.046 1.00 0.00 N ATOM 1047 CA ASN A 73 12.448 5.277 -0.352 1.00 0.00 C ATOM 1048 C ASN A 73 13.435 4.534 -1.247 1.00 0.00 C ATOM 1049 O ASN A 73 14.630 4.824 -1.247 1.00 0.00 O ATOM 1050 CB ASN A 73 13.143 5.715 0.939 1.00 0.00 C ATOM 1051 CG ASN A 73 12.537 6.976 1.523 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.748 7.660 0.869 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.903 7.291 2.760 1.00 0.00 N ATOM 0 H ASN A 73 10.399 4.836 -0.338 1.00 0.00 H new ATOM 0 HA ASN A 73 12.095 6.160 -0.885 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.080 4.911 1.673 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.201 5.882 0.740 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.528 8.128 3.205 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.559 6.695 3.265 1.00 0.00 H new ATOM 1060 N GLY A 74 12.925 3.572 -2.011 1.00 0.00 N ATOM 1061 CA GLY A 74 13.774 2.803 -2.901 1.00 0.00 C ATOM 1062 C GLY A 74 14.262 1.515 -2.267 1.00 0.00 C ATOM 1063 O GLY A 74 15.286 0.963 -2.672 1.00 0.00 O ATOM 0 H GLY A 74 11.939 3.312 -2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.223 2.570 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.632 3.409 -3.193 1.00 0.00 H new ATOM 1067 N THR A 75 13.530 1.035 -1.267 1.00 0.00 N ATOM 1068 CA THR A 75 13.895 -0.194 -0.573 1.00 0.00 C ATOM 1069 C THR A 75 12.745 -1.194 -0.585 1.00 0.00 C ATOM 1070 O THR A 75 11.619 -0.888 -0.192 1.00 0.00 O ATOM 1071 CB THR A 75 14.303 0.085 0.886 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.396 1.009 0.921 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.698 -1.203 1.593 1.00 0.00 C ATOM 0 H THR A 75 12.680 1.479 -0.919 1.00 0.00 H new ATOM 0 HA THR A 75 14.746 -0.617 -1.106 1.00 0.00 H new ATOM 0 HB THR A 75 13.446 0.517 1.403 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.162 1.772 1.490 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.982 -0.981 2.622 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.854 -1.893 1.590 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.541 -1.659 1.074 1.00 0.00 H new ATOM 1081 N PRO A 76 13.032 -2.421 -1.047 1.00 0.00 N ATOM 1082 CA PRO A 76 12.034 -3.492 -1.120 1.00 0.00 C ATOM 1083 C PRO A 76 11.626 -4.000 0.259 1.00 0.00 C ATOM 1084 O PRO A 76 12.470 -4.420 1.050 1.00 0.00 O ATOM 1085 CB PRO A 76 12.753 -4.593 -1.904 1.00 0.00 C ATOM 1086 CG PRO A 76 14.202 -4.346 -1.662 1.00 0.00 C ATOM 1087 CD PRO A 76 14.352 -2.856 -1.533 1.00 0.00 C ATOM 0 HA PRO A 76 11.107 -3.154 -1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.457 -5.583 -1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.515 -4.542 -2.966 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.538 -4.852 -0.757 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.806 -4.729 -2.484 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.145 -2.591 -0.834 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.601 -2.393 -2.488 1.00 0.00 H new ATOM 1095 N MET A 77 10.328 -3.958 0.540 1.00 0.00 N ATOM 1096 CA MET A 77 9.809 -4.416 1.823 1.00 0.00 C ATOM 1097 C MET A 77 9.117 -5.768 1.679 1.00 0.00 C ATOM 1098 O MET A 77 8.384 -6.197 2.569 1.00 0.00 O ATOM 1099 CB MET A 77 8.833 -3.389 2.399 1.00 0.00 C ATOM 1100 CG MET A 77 9.340 -1.958 2.320 1.00 0.00 C ATOM 1101 SD MET A 77 10.358 -1.502 3.737 1.00 0.00 S ATOM 1102 CE MET A 77 11.998 -1.617 3.027 1.00 0.00 C ATOM 0 H MET A 77 9.616 -3.612 -0.103 1.00 0.00 H new ATOM 0 HA MET A 77 10.650 -4.530 2.507 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.886 -3.460 1.864 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.630 -3.637 3.441 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.920 -1.832 1.406 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.490 -1.279 2.255 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.744 -1.486 3.811 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.126 -2.596 2.564 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.123 -0.840 2.273 1.00 0.00 H new ATOM 1112 N GLU A 78 9.354 -6.432 0.552 1.00 0.00 N ATOM 1113 CA GLU A 78 8.751 -7.734 0.293 1.00 0.00 C ATOM 1114 C GLU A 78 9.634 -8.859 0.827 1.00 0.00 C ATOM 1115 O GLU A 78 10.776 -9.023 0.397 1.00 0.00 O ATOM 1116 CB GLU A 78 8.518 -7.923 -1.208 1.00 0.00 C ATOM 1117 CG GLU A 78 9.751 -7.653 -2.054 1.00 0.00 C ATOM 1118 CD GLU A 78 9.590 -8.125 -3.486 1.00 0.00 C ATOM 1119 OE1 GLU A 78 8.763 -9.030 -3.724 1.00 0.00 O ATOM 1120 OE2 GLU A 78 10.290 -7.587 -4.369 1.00 0.00 O ATOM 0 H GLU A 78 9.958 -6.090 -0.195 1.00 0.00 H new ATOM 0 HA GLU A 78 7.792 -7.771 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.180 -8.943 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.715 -7.259 -1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.963 -6.584 -2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.611 -8.151 -1.606 1.00 0.00 H new ATOM 1127 N ASP A 79 9.097 -9.629 1.766 1.00 0.00 N ATOM 1128 CA ASP A 79 9.834 -10.738 2.360 1.00 0.00 C ATOM 1129 C ASP A 79 11.015 -10.229 3.181 1.00 0.00 C ATOM 1130 O ASP A 79 12.120 -10.763 3.095 1.00 0.00 O ATOM 1131 CB ASP A 79 10.328 -11.691 1.270 1.00 0.00 C ATOM 1132 CG ASP A 79 10.412 -13.126 1.750 1.00 0.00 C ATOM 1133 OD1 ASP A 79 9.445 -13.597 2.384 1.00 0.00 O ATOM 1134 OD2 ASP A 79 11.446 -13.779 1.492 1.00 0.00 O ATOM 0 H ASP A 79 8.153 -9.506 2.133 1.00 0.00 H new ATOM 0 HA ASP A 79 9.158 -11.276 3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.657 -11.637 0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.311 -11.368 0.927 1.00 0.00 H new ATOM 1139 N VAL A 80 10.772 -9.191 3.976 1.00 0.00 N ATOM 1140 CA VAL A 80 11.815 -8.609 4.812 1.00 0.00 C ATOM 1141 C VAL A 80 11.420 -8.641 6.284 1.00 0.00 C ATOM 1142 O VAL A 80 10.253 -8.847 6.621 1.00 0.00 O ATOM 1143 CB VAL A 80 12.115 -7.155 4.404 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.485 -7.079 2.930 1.00 0.00 C ATOM 1145 CG2 VAL A 80 10.925 -6.259 4.710 1.00 0.00 C ATOM 0 H VAL A 80 9.863 -8.737 4.058 1.00 0.00 H new ATOM 0 HA VAL A 80 12.711 -9.212 4.666 1.00 0.00 H new ATOM 0 HB VAL A 80 12.966 -6.801 4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.694 -6.044 2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.370 -7.688 2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.657 -7.451 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.155 -5.235 4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.054 -6.609 4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.712 -6.290 5.779 1.00 0.00 H new ATOM 1155 N LEU A 81 12.399 -8.437 7.158 1.00 0.00 N ATOM 1156 CA LEU A 81 12.154 -8.441 8.596 1.00 0.00 C ATOM 1157 C LEU A 81 11.522 -7.127 9.045 1.00 0.00 C ATOM 1158 O LEU A 81 11.885 -6.055 8.562 1.00 0.00 O ATOM 1159 CB LEU A 81 13.461 -8.677 9.355 1.00 0.00 C ATOM 1160 CG LEU A 81 13.984 -10.114 9.361 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.298 -10.201 10.121 1.00 0.00 C ATOM 1162 CD2 LEU A 81 12.952 -11.055 9.966 1.00 0.00 C ATOM 0 H LEU A 81 13.370 -8.267 6.896 1.00 0.00 H new ATOM 0 HA LEU A 81 11.460 -9.251 8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.229 -8.034 8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.321 -8.358 10.388 1.00 0.00 H new ATOM 0 HG LEU A 81 14.164 -10.419 8.330 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.655 -11.231 10.114 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.038 -9.558 9.644 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.145 -9.876 11.150 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.341 -12.073 9.962 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.740 -10.752 10.991 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.035 -11.015 9.379 1.00 0.00 H new ATOM 1174 N HIS A 82 10.576 -7.219 9.975 1.00 0.00 N ATOM 1175 CA HIS A 82 9.896 -6.037 10.492 1.00 0.00 C ATOM 1176 C HIS A 82 10.886 -4.902 10.734 1.00 0.00 C ATOM 1177 O HIS A 82 10.649 -3.762 10.335 1.00 0.00 O ATOM 1178 CB HIS A 82 9.159 -6.373 11.789 1.00 0.00 C ATOM 1179 CG HIS A 82 8.868 -5.175 12.640 1.00 0.00 C ATOM 1180 ND1 HIS A 82 9.700 -4.273 13.212 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.591 -4.794 12.992 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 8.917 -3.372 13.891 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 7.649 -3.708 13.742 1.00 0.00 N flip ATOM 0 H HIS A 82 10.264 -8.099 10.385 1.00 0.00 H new ATOM 0 HA HIS A 82 9.172 -5.710 9.746 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.221 -6.872 11.545 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.756 -7.080 12.364 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.685 -5.304 12.700 1.00 0.00 H new ATOM 0 HE1 HIS A 82 9.280 -2.526 14.455 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.850 -3.213 14.139 1.00 0.00 H new ATOM 1192 N SER A 83 11.996 -5.222 11.392 1.00 0.00 N ATOM 1193 CA SER A 83 13.020 -4.229 11.692 1.00 0.00 C ATOM 1194 C SER A 83 13.516 -3.557 10.416 1.00 0.00 C ATOM 1195 O SER A 83 13.677 -2.337 10.365 1.00 0.00 O ATOM 1196 CB SER A 83 14.193 -4.881 12.427 1.00 0.00 C ATOM 1197 OG SER A 83 14.681 -6.004 11.714 1.00 0.00 O ATOM 0 H SER A 83 12.209 -6.162 11.727 1.00 0.00 H new ATOM 0 HA SER A 83 12.576 -3.468 12.334 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.994 -4.153 12.558 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.876 -5.189 13.423 1.00 0.00 H new ATOM 0 HG SER A 83 15.431 -6.402 12.204 1.00 0.00 H new ATOM 1203 N PHE A 84 13.756 -4.361 9.386 1.00 0.00 N ATOM 1204 CA PHE A 84 14.234 -3.846 8.108 1.00 0.00 C ATOM 1205 C PHE A 84 13.238 -2.855 7.514 1.00 0.00 C ATOM 1206 O PHE A 84 13.625 -1.872 6.883 1.00 0.00 O ATOM 1207 CB PHE A 84 14.473 -4.996 7.127 1.00 0.00 C ATOM 1208 CG PHE A 84 15.043 -4.553 5.810 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.400 -4.308 5.675 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.221 -4.379 4.708 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.928 -3.900 4.464 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.743 -3.972 3.495 1.00 0.00 C ATOM 1213 CZ PHE A 84 16.098 -3.731 3.373 1.00 0.00 C ATOM 0 H PHE A 84 13.627 -5.373 9.411 1.00 0.00 H new ATOM 0 HA PHE A 84 15.176 -3.326 8.284 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.152 -5.717 7.583 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.530 -5.514 6.950 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.053 -4.437 6.526 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.161 -4.564 4.798 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.988 -3.714 4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 84 14.092 -3.842 2.643 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.507 -3.411 2.426 1.00 0.00 H new ATOM 1223 N ALA A 85 11.952 -3.122 7.720 1.00 0.00 N ATOM 1224 CA ALA A 85 10.900 -2.253 7.207 1.00 0.00 C ATOM 1225 C ALA A 85 10.898 -0.909 7.927 1.00 0.00 C ATOM 1226 O ALA A 85 10.938 0.146 7.293 1.00 0.00 O ATOM 1227 CB ALA A 85 9.544 -2.929 7.345 1.00 0.00 C ATOM 0 H ALA A 85 11.614 -3.933 8.238 1.00 0.00 H new ATOM 0 HA ALA A 85 11.097 -2.069 6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.767 -2.269 6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.543 -3.861 6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.349 -3.142 8.396 1.00 0.00 H new ATOM 1233 N VAL A 86 10.851 -0.953 9.255 1.00 0.00 N ATOM 1234 CA VAL A 86 10.845 0.262 10.061 1.00 0.00 C ATOM 1235 C VAL A 86 12.144 1.040 9.892 1.00 0.00 C ATOM 1236 O VAL A 86 12.139 2.270 9.836 1.00 0.00 O ATOM 1237 CB VAL A 86 10.640 -0.057 11.554 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.604 -1.143 12.005 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.809 1.200 12.394 1.00 0.00 C ATOM 0 H VAL A 86 10.817 -1.817 9.795 1.00 0.00 H new ATOM 0 HA VAL A 86 10.012 0.871 9.710 1.00 0.00 H new ATOM 0 HB VAL A 86 9.624 -0.426 11.693 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.444 -1.355 13.062 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.430 -2.048 11.423 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.629 -0.805 11.853 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.661 0.957 13.446 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.813 1.600 12.252 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.075 1.944 12.087 1.00 0.00 H new ATOM 1249 N GLN A 87 13.255 0.316 9.809 1.00 0.00 N ATOM 1250 CA GLN A 87 14.563 0.940 9.647 1.00 0.00 C ATOM 1251 C GLN A 87 14.490 2.113 8.675 1.00 0.00 C ATOM 1252 O GLN A 87 14.819 3.245 9.028 1.00 0.00 O ATOM 1253 CB GLN A 87 15.583 -0.086 9.150 1.00 0.00 C ATOM 1254 CG GLN A 87 17.008 0.211 9.588 1.00 0.00 C ATOM 1255 CD GLN A 87 17.382 -0.497 10.875 1.00 0.00 C ATOM 1256 OE1 GLN A 87 16.518 -0.839 11.683 1.00 0.00 O ATOM 1257 NE2 GLN A 87 18.676 -0.721 11.073 1.00 0.00 N ATOM 0 H GLN A 87 13.276 -0.703 9.851 1.00 0.00 H new ATOM 0 HA GLN A 87 14.881 1.316 10.619 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.299 -1.074 9.513 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.547 -0.124 8.061 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.697 -0.090 8.799 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.126 1.286 9.722 1.00 0.00 H new ATOM 0 HE21 GLN A 87 19.358 -0.420 10.377 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.988 -1.194 11.921 1.00 0.00 H new ATOM 1266 N GLN A 88 14.055 1.834 7.450 1.00 0.00 N ATOM 1267 CA GLN A 88 13.940 2.866 6.427 1.00 0.00 C ATOM 1268 C GLN A 88 13.191 4.082 6.963 1.00 0.00 C ATOM 1269 O GLN A 88 13.565 5.224 6.692 1.00 0.00 O ATOM 1270 CB GLN A 88 13.223 2.314 5.193 1.00 0.00 C ATOM 1271 CG GLN A 88 13.894 1.087 4.598 1.00 0.00 C ATOM 1272 CD GLN A 88 15.167 1.424 3.847 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.230 2.419 3.123 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.191 0.596 4.015 1.00 0.00 N ATOM 0 H GLN A 88 13.777 0.902 7.142 1.00 0.00 H new ATOM 0 HA GLN A 88 14.946 3.176 6.145 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.197 2.063 5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.172 3.094 4.433 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.124 0.381 5.396 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.199 0.589 3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.095 -0.217 4.624 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.074 0.772 3.535 1.00 0.00 H new ATOM 1283 N LEU A 89 12.132 3.830 7.724 1.00 0.00 N ATOM 1284 CA LEU A 89 11.329 4.904 8.298 1.00 0.00 C ATOM 1285 C LEU A 89 12.178 5.796 9.199 1.00 0.00 C ATOM 1286 O LEU A 89 12.202 7.016 9.037 1.00 0.00 O ATOM 1287 CB LEU A 89 10.158 4.324 9.093 1.00 0.00 C ATOM 1288 CG LEU A 89 9.332 3.251 8.383 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.213 2.755 9.286 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.767 3.790 7.077 1.00 0.00 C ATOM 0 H LEU A 89 11.809 2.891 7.958 1.00 0.00 H new ATOM 0 HA LEU A 89 10.939 5.510 7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.547 3.901 10.019 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.493 5.142 9.371 1.00 0.00 H new ATOM 0 HG LEU A 89 9.985 2.409 8.153 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.636 1.992 8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.640 2.329 10.194 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.560 3.588 9.548 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.182 3.013 6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.128 4.649 7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.585 4.095 6.425 1.00 0.00 H new ATOM 1302 N ARG A 90 12.875 5.178 10.147 1.00 0.00 N ATOM 1303 CA ARG A 90 13.726 5.916 11.073 1.00 0.00 C ATOM 1304 C ARG A 90 14.886 6.577 10.336 1.00 0.00 C ATOM 1305 O ARG A 90 15.372 7.634 10.741 1.00 0.00 O ATOM 1306 CB ARG A 90 14.263 4.982 12.159 1.00 0.00 C ATOM 1307 CG ARG A 90 14.942 3.737 11.611 1.00 0.00 C ATOM 1308 CD ARG A 90 15.617 2.938 12.715 1.00 0.00 C ATOM 1309 NE ARG A 90 16.600 3.735 13.444 1.00 0.00 N ATOM 1310 CZ ARG A 90 17.831 3.967 13.002 1.00 0.00 C ATOM 1311 NH1 ARG A 90 18.227 3.466 11.840 1.00 0.00 N ATOM 1312 NH2 ARG A 90 18.669 4.701 13.723 1.00 0.00 N ATOM 0 H ARG A 90 12.867 4.169 10.294 1.00 0.00 H new ATOM 0 HA ARG A 90 13.123 6.696 11.539 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.973 5.530 12.779 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.440 4.681 12.807 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.205 3.112 11.106 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.682 4.024 10.864 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.862 2.570 13.409 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.106 2.065 12.283 1.00 0.00 H new ATOM 0 HE ARG A 90 16.326 4.135 14.341 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.586 2.901 11.283 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.173 3.646 11.503 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.368 5.088 14.618 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.614 4.878 13.383 1.00 0.00 H new ATOM 1326 N LYS A 91 15.327 5.948 9.252 1.00 0.00 N ATOM 1327 CA LYS A 91 16.429 6.475 8.456 1.00 0.00 C ATOM 1328 C LYS A 91 16.000 7.721 7.688 1.00 0.00 C ATOM 1329 O LYS A 91 16.809 8.611 7.427 1.00 0.00 O ATOM 1330 CB LYS A 91 16.935 5.410 7.480 1.00 0.00 C ATOM 1331 CG LYS A 91 17.630 4.243 8.160 1.00 0.00 C ATOM 1332 CD LYS A 91 17.943 3.130 7.175 1.00 0.00 C ATOM 1333 CE LYS A 91 19.259 3.376 6.454 1.00 0.00 C ATOM 1334 NZ LYS A 91 19.441 2.454 5.299 1.00 0.00 N ATOM 0 H LYS A 91 14.938 5.072 8.904 1.00 0.00 H new ATOM 0 HA LYS A 91 17.236 6.749 9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.094 5.032 6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.626 5.873 6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.553 4.589 8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.997 3.856 8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.989 2.178 7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.137 3.051 6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.294 4.408 6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 91 20.085 3.249 7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.350 2.654 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.434 1.470 5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.667 2.593 4.619 1.00 0.00 H new ATOM 1348 N SER A 92 14.721 7.777 7.329 1.00 0.00 N ATOM 1349 CA SER A 92 14.185 8.913 6.588 1.00 0.00 C ATOM 1350 C SER A 92 14.299 10.197 7.405 1.00 0.00 C ATOM 1351 O SER A 92 13.911 10.241 8.572 1.00 0.00 O ATOM 1352 CB SER A 92 12.723 8.661 6.215 1.00 0.00 C ATOM 1353 OG SER A 92 12.298 9.544 5.191 1.00 0.00 O ATOM 0 H SER A 92 14.037 7.050 7.539 1.00 0.00 H new ATOM 0 HA SER A 92 14.771 9.030 5.676 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.602 7.630 5.884 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.093 8.789 7.095 1.00 0.00 H new ATOM 0 HG SER A 92 11.923 10.355 5.593 1.00 0.00 H new ATOM 1359 N GLY A 93 14.836 11.242 6.782 1.00 0.00 N ATOM 1360 CA GLY A 93 14.992 12.513 7.464 1.00 0.00 C ATOM 1361 C GLY A 93 13.683 13.039 8.017 1.00 0.00 C ATOM 1362 O GLY A 93 13.374 12.846 9.194 1.00 0.00 O ATOM 0 H GLY A 93 15.166 11.231 5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.707 12.399 8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.410 13.244 6.772 1.00 0.00 H new ATOM 1366 N LYS A 94 12.910 13.708 7.168 1.00 0.00 N ATOM 1367 CA LYS A 94 11.627 14.266 7.578 1.00 0.00 C ATOM 1368 C LYS A 94 10.502 13.755 6.682 1.00 0.00 C ATOM 1369 O LYS A 94 9.386 13.517 7.147 1.00 0.00 O ATOM 1370 CB LYS A 94 11.674 15.795 7.534 1.00 0.00 C ATOM 1371 CG LYS A 94 10.331 16.452 7.803 1.00 0.00 C ATOM 1372 CD LYS A 94 10.498 17.882 8.290 1.00 0.00 C ATOM 1373 CE LYS A 94 9.158 18.591 8.406 1.00 0.00 C ATOM 1374 NZ LYS A 94 8.640 19.020 7.077 1.00 0.00 N ATOM 0 H LYS A 94 13.150 13.877 6.191 1.00 0.00 H new ATOM 0 HA LYS A 94 11.429 13.945 8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.396 16.149 8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.034 16.111 6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.732 16.444 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.785 15.874 8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.996 17.881 9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.142 18.429 7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.436 17.927 8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.263 19.462 9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.725 19.499 7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.317 19.674 6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.516 18.187 6.467 1.00 0.00 H new ATOM 1388 N ILE A 95 10.803 13.589 5.399 1.00 0.00 N ATOM 1389 CA ILE A 95 9.817 13.104 4.441 1.00 0.00 C ATOM 1390 C ILE A 95 10.192 11.722 3.918 1.00 0.00 C ATOM 1391 O ILE A 95 11.344 11.473 3.561 1.00 0.00 O ATOM 1392 CB ILE A 95 9.669 14.069 3.249 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.448 15.499 3.747 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.521 13.631 2.352 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.162 15.677 4.521 1.00 0.00 C ATOM 0 H ILE A 95 11.721 13.783 4.999 1.00 0.00 H new ATOM 0 HA ILE A 95 8.866 13.044 4.970 1.00 0.00 H new ATOM 0 HB ILE A 95 10.589 14.046 2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.287 15.788 4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.445 16.176 2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.429 14.323 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.717 12.628 1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.593 13.628 2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.072 16.714 4.843 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.316 15.419 3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.170 15.026 5.395 1.00 0.00 H new ATOM 1407 N ALA A 96 9.212 10.826 3.873 1.00 0.00 N ATOM 1408 CA ALA A 96 9.438 9.470 3.390 1.00 0.00 C ATOM 1409 C ALA A 96 8.486 9.128 2.248 1.00 0.00 C ATOM 1410 O ALA A 96 7.375 9.653 2.175 1.00 0.00 O ATOM 1411 CB ALA A 96 9.281 8.471 4.527 1.00 0.00 C ATOM 0 H ALA A 96 8.253 11.015 4.165 1.00 0.00 H new ATOM 0 HA ALA A 96 10.457 9.412 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.453 7.462 4.151 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.005 8.695 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.273 8.540 4.935 1.00 0.00 H new ATOM 1417 N ALA A 97 8.929 8.245 1.359 1.00 0.00 N ATOM 1418 CA ALA A 97 8.116 7.833 0.222 1.00 0.00 C ATOM 1419 C ALA A 97 7.861 6.330 0.246 1.00 0.00 C ATOM 1420 O ALA A 97 8.763 5.534 -0.018 1.00 0.00 O ATOM 1421 CB ALA A 97 8.789 8.235 -1.082 1.00 0.00 C ATOM 0 H ALA A 97 9.846 7.801 1.405 1.00 0.00 H new ATOM 0 HA ALA A 97 7.154 8.340 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.170 7.921 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.914 9.317 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.765 7.755 -1.151 1.00 0.00 H new ATOM 1427 N ILE A 98 6.628 5.948 0.563 1.00 0.00 N ATOM 1428 CA ILE A 98 6.256 4.540 0.621 1.00 0.00 C ATOM 1429 C ILE A 98 5.315 4.174 -0.521 1.00 0.00 C ATOM 1430 O ILE A 98 4.450 4.961 -0.905 1.00 0.00 O ATOM 1431 CB ILE A 98 5.580 4.191 1.960 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.474 4.605 3.131 1.00 0.00 C ATOM 1433 CG2 ILE A 98 5.268 2.704 2.024 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.775 4.557 4.471 1.00 0.00 C ATOM 0 H ILE A 98 5.870 6.594 0.783 1.00 0.00 H new ATOM 0 HA ILE A 98 7.178 3.965 0.528 1.00 0.00 H new ATOM 0 HB ILE A 98 4.642 4.742 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.345 3.951 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.841 5.617 2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.791 2.473 2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.597 2.438 1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.193 2.134 1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.469 4.863 5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.920 5.233 4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.432 3.541 4.666 1.00 0.00 H new ATOM 1446 N VAL A 99 5.489 2.971 -1.061 1.00 0.00 N ATOM 1447 CA VAL A 99 4.654 2.498 -2.159 1.00 0.00 C ATOM 1448 C VAL A 99 3.877 1.248 -1.758 1.00 0.00 C ATOM 1449 O VAL A 99 4.408 0.138 -1.787 1.00 0.00 O ATOM 1450 CB VAL A 99 5.495 2.187 -3.411 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.594 1.870 -4.594 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.422 3.349 -3.731 1.00 0.00 C ATOM 0 H VAL A 99 6.200 2.307 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 99 3.953 3.300 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 99 6.108 1.309 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.206 1.653 -5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.976 1.003 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.953 2.726 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.009 3.112 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.831 4.246 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.092 3.523 -2.889 1.00 0.00 H new ATOM 1462 N VAL A 100 2.615 1.437 -1.385 1.00 0.00 N ATOM 1463 CA VAL A 100 1.764 0.325 -0.981 1.00 0.00 C ATOM 1464 C VAL A 100 0.838 -0.100 -2.115 1.00 0.00 C ATOM 1465 O VAL A 100 0.894 0.449 -3.216 1.00 0.00 O ATOM 1466 CB VAL A 100 0.913 0.689 0.251 1.00 0.00 C ATOM 1467 CG1 VAL A 100 1.803 1.134 1.402 1.00 0.00 C ATOM 1468 CG2 VAL A 100 -0.098 1.769 -0.100 1.00 0.00 C ATOM 0 H VAL A 100 2.160 2.349 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 100 2.426 -0.503 -0.726 1.00 0.00 H new ATOM 0 HB VAL A 100 0.366 -0.199 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.185 1.387 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.484 0.326 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.379 2.009 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.690 2.013 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.427 2.661 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.756 1.408 -0.890 1.00 0.00 H new ATOM 1478 N LYS A 101 -0.013 -1.083 -1.840 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.953 -1.582 -2.837 1.00 0.00 C ATOM 1480 C LYS A 101 -2.252 -2.038 -2.179 1.00 0.00 C ATOM 1481 O LYS A 101 -2.234 -2.789 -1.204 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.331 -2.741 -3.619 1.00 0.00 C ATOM 1483 CG LYS A 101 0.141 -3.885 -2.739 1.00 0.00 C ATOM 1484 CD LYS A 101 0.855 -4.954 -3.549 1.00 0.00 C ATOM 1485 CE LYS A 101 0.847 -6.295 -2.832 1.00 0.00 C ATOM 1486 NZ LYS A 101 1.364 -7.391 -3.699 1.00 0.00 N ATOM 0 H LYS A 101 -0.071 -1.550 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.181 -0.768 -3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.062 -3.121 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.514 -2.366 -4.197 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.812 -3.501 -1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.713 -4.326 -2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.374 -5.057 -4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.884 -4.645 -3.734 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.455 -6.228 -1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.169 -6.531 -2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.342 -8.288 -3.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.769 -7.472 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.342 -7.178 -3.981 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.376 -1.581 -2.721 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.683 -1.943 -2.186 1.00 0.00 C ATOM 1502 C ARG A 102 -5.433 -2.854 -3.154 1.00 0.00 C ATOM 1503 O ARG A 102 -5.436 -2.644 -4.367 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.510 -0.686 -1.909 1.00 0.00 C ATOM 1505 CG ARG A 102 -5.017 0.116 -0.715 1.00 0.00 C ATOM 1506 CD ARG A 102 -3.682 0.785 -1.006 1.00 0.00 C ATOM 1507 NE ARG A 102 -3.541 2.055 -0.300 1.00 0.00 N ATOM 1508 CZ ARG A 102 -3.480 2.158 1.023 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -3.548 1.072 1.779 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -3.351 3.350 1.591 1.00 0.00 N ATOM 0 H ARG A 102 -3.408 -0.960 -3.529 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.529 -2.482 -1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.496 -0.050 -2.794 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.548 -0.974 -1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -5.756 0.874 -0.454 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.915 -0.541 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.871 0.117 -0.716 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.587 0.954 -2.079 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.486 2.910 -0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.647 0.154 1.345 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.501 1.154 2.795 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.299 4.188 1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.304 3.428 2.607 1.00 0.00 H new ATOM 1524 N PRO A 103 -6.084 -3.891 -2.606 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.850 -4.854 -3.403 1.00 0.00 C ATOM 1526 C PRO A 103 -8.117 -4.243 -3.992 1.00 0.00 C ATOM 1527 O PRO A 103 -9.046 -3.894 -3.263 1.00 0.00 O ATOM 1528 CB PRO A 103 -7.204 -5.948 -2.392 1.00 0.00 C ATOM 1529 CG PRO A 103 -7.186 -5.262 -1.070 1.00 0.00 C ATOM 1530 CD PRO A 103 -6.124 -4.202 -1.167 1.00 0.00 C ATOM 0 HA PRO A 103 -6.283 -5.214 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.183 -6.379 -2.601 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.483 -6.765 -2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.157 -4.821 -0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.963 -5.966 -0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.377 -3.324 -0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.161 -4.564 -0.807 1.00 0.00 H new