USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 628 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 39 ASN : amide:sc= -5.07! C(o=-9.4!,f=-10!) USER MOD Set 1.2: A 42 GLN : amide:sc= -4.31! C(o=-9.4!,f=-9.1!) USER MOD Single : A 16 CYS SG : rot -18:sc= -3.37 USER MOD Single : A 18 ASN : amide:sc= -0.0372 X(o=-0.037,f=-0.043) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.25 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= 0.0614 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.9!) USER MOD Single : A 40 GLN : amide:sc= -8.62! C(o=-8.6!,f=-8.5!) USER MOD Single : A 43 TYR OH : rot 118:sc= 0.105 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0285 X(o=-0.029,f=-0.32) USER MOD Single : A 50 ASN : amide:sc= -0.0201 X(o=-0.02,f=0.0046) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -166:sc= -0.116 (180deg=-1.09) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -150:sc= -0.429 (180deg=-1.57!) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 0.360 7.006 3.968 1.00 0.00 N ATOM 121 CA LEU A 11 1.456 6.077 3.711 1.00 0.00 C ATOM 122 C LEU A 11 1.384 4.877 4.649 1.00 0.00 C ATOM 123 O LEU A 11 1.633 3.742 4.243 1.00 0.00 O ATOM 124 CB LEU A 11 2.801 6.786 3.874 1.00 0.00 C ATOM 125 CG LEU A 11 4.015 6.066 3.288 1.00 0.00 C ATOM 126 CD1 LEU A 11 5.077 7.067 2.864 1.00 0.00 C ATOM 127 CD2 LEU A 11 4.585 5.077 4.295 1.00 0.00 C ATOM 0 HA LEU A 11 1.363 5.719 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.729 7.770 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.978 6.947 4.938 1.00 0.00 H new ATOM 0 HG LEU A 11 3.694 5.513 2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.933 6.535 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.665 7.736 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.395 7.648 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.449 4.573 3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.890 5.610 5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.825 4.339 4.550 1.00 0.00 H new ATOM 139 N ARG A 12 1.038 5.136 5.906 1.00 0.00 N ATOM 140 CA ARG A 12 0.931 4.077 6.903 1.00 0.00 C ATOM 141 C ARG A 12 0.317 2.818 6.296 1.00 0.00 C ATOM 142 O ARG A 12 0.592 1.704 6.739 1.00 0.00 O ATOM 143 CB ARG A 12 0.088 4.546 8.089 1.00 0.00 C ATOM 144 CG ARG A 12 -1.404 4.579 7.802 1.00 0.00 C ATOM 145 CD ARG A 12 -2.170 5.280 8.912 1.00 0.00 C ATOM 146 NE ARG A 12 -2.527 4.364 9.994 1.00 0.00 N ATOM 147 CZ ARG A 12 -3.548 3.517 9.931 1.00 0.00 C ATOM 148 NH1 ARG A 12 -4.309 3.468 8.846 1.00 0.00 N ATOM 149 NH2 ARG A 12 -3.810 2.715 10.956 1.00 0.00 N ATOM 0 H ARG A 12 0.827 6.070 6.258 1.00 0.00 H new ATOM 0 HA ARG A 12 1.936 3.839 7.252 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.271 3.887 8.937 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.415 5.543 8.384 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.582 5.091 6.856 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.776 3.561 7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.566 6.095 9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.076 5.727 8.501 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.962 4.376 10.843 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.111 4.082 8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.092 2.816 8.801 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.227 2.749 11.792 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.594 2.065 10.907 1.00 0.00 H new ATOM 163 N GLY A 13 -0.516 3.006 5.277 1.00 0.00 N ATOM 164 CA GLY A 13 -1.157 1.877 4.626 1.00 0.00 C ATOM 165 C GLY A 13 -0.211 0.710 4.426 1.00 0.00 C ATOM 166 O GLY A 13 -0.615 -0.450 4.521 1.00 0.00 O ATOM 0 H GLY A 13 -0.759 3.918 4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.009 1.552 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.549 2.193 3.659 1.00 0.00 H new ATOM 170 N LEU A 14 1.051 1.014 4.148 1.00 0.00 N ATOM 171 CA LEU A 14 2.059 -0.019 3.932 1.00 0.00 C ATOM 172 C LEU A 14 2.438 -0.692 5.248 1.00 0.00 C ATOM 173 O LEU A 14 2.188 -1.881 5.442 1.00 0.00 O ATOM 174 CB LEU A 14 3.303 0.582 3.276 1.00 0.00 C ATOM 175 CG LEU A 14 3.050 1.540 2.112 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.217 2.502 1.949 1.00 0.00 C ATOM 177 CD2 LEU A 14 2.814 0.765 0.824 1.00 0.00 C ATOM 0 H LEU A 14 1.402 1.968 4.067 1.00 0.00 H new ATOM 0 HA LEU A 14 1.635 -0.772 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.872 1.112 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.931 -0.234 2.919 1.00 0.00 H new ATOM 0 HG LEU A 14 2.154 2.120 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.019 3.176 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.341 3.082 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.128 1.938 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.636 1.464 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.691 0.159 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.946 0.117 0.943 1.00 0.00 H new ATOM 189 N GLU A 15 3.041 0.078 6.148 1.00 0.00 N ATOM 190 CA GLU A 15 3.454 -0.444 7.446 1.00 0.00 C ATOM 191 C GLU A 15 2.309 -1.196 8.118 1.00 0.00 C ATOM 192 O GLU A 15 2.529 -2.009 9.017 1.00 0.00 O ATOM 193 CB GLU A 15 3.932 0.693 8.349 1.00 0.00 C ATOM 194 CG GLU A 15 4.998 0.271 9.347 1.00 0.00 C ATOM 195 CD GLU A 15 4.949 1.079 10.630 1.00 0.00 C ATOM 196 OE1 GLU A 15 3.833 1.303 11.147 1.00 0.00 O ATOM 197 OE2 GLU A 15 6.024 1.486 11.116 1.00 0.00 O ATOM 0 H GLU A 15 3.254 1.065 6.003 1.00 0.00 H new ATOM 0 HA GLU A 15 4.278 -1.140 7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.326 1.498 7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.078 1.098 8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.872 -0.786 9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.982 0.381 8.890 1.00 0.00 H new ATOM 204 N CYS A 16 1.087 -0.918 7.677 1.00 0.00 N ATOM 205 CA CYS A 16 -0.093 -1.566 8.237 1.00 0.00 C ATOM 206 C CYS A 16 -0.064 -3.069 7.977 1.00 0.00 C ATOM 207 O CYS A 16 -0.193 -3.871 8.902 1.00 0.00 O ATOM 208 CB CYS A 16 -1.365 -0.958 7.643 1.00 0.00 C ATOM 209 SG CYS A 16 -2.894 -1.724 8.230 1.00 0.00 S ATOM 0 H CYS A 16 0.888 -0.249 6.934 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.089 -1.402 9.315 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.391 0.106 7.879 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.322 -1.043 6.557 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.625 -2.882 8.756 1.00 0.00 H new ATOM 215 N ILE A 17 0.105 -3.441 6.713 1.00 0.00 N ATOM 216 CA ILE A 17 0.151 -4.847 6.332 1.00 0.00 C ATOM 217 C ILE A 17 1.459 -5.495 6.773 1.00 0.00 C ATOM 218 O ILE A 17 2.525 -4.887 6.683 1.00 0.00 O ATOM 219 CB ILE A 17 -0.008 -5.023 4.810 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.900 -4.043 4.064 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.460 -4.825 4.403 1.00 0.00 C ATOM 222 CD1 ILE A 17 1.192 -4.455 2.638 1.00 0.00 C ATOM 0 H ILE A 17 0.212 -2.789 5.936 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.682 -5.337 6.836 1.00 0.00 H new ATOM 0 HB ILE A 17 0.288 -6.038 4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.433 -3.058 4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.841 -3.948 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.556 -4.953 3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.084 -5.559 4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.782 -3.821 4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.841 -3.714 2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.688 -5.426 2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.258 -4.522 2.080 1.00 0.00 H new ATOM 234 N ASN A 18 1.370 -6.732 7.250 1.00 0.00 N ATOM 235 CA ASN A 18 2.548 -7.463 7.705 1.00 0.00 C ATOM 236 C ASN A 18 3.467 -7.796 6.534 1.00 0.00 C ATOM 237 O ASN A 18 3.045 -7.787 5.377 1.00 0.00 O ATOM 238 CB ASN A 18 2.130 -8.748 8.422 1.00 0.00 C ATOM 239 CG ASN A 18 1.032 -8.511 9.440 1.00 0.00 C ATOM 240 OD1 ASN A 18 -0.133 -8.826 9.198 1.00 0.00 O ATOM 241 ND2 ASN A 18 1.400 -7.955 10.588 1.00 0.00 N ATOM 0 H ASN A 18 0.495 -7.250 7.332 1.00 0.00 H new ATOM 0 HA ASN A 18 3.094 -6.827 8.402 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.789 -9.477 7.687 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.997 -9.181 8.921 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.705 -7.773 11.312 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.377 -7.710 10.746 1.00 0.00 H new ATOM 248 N LYS A 19 4.725 -8.090 6.842 1.00 0.00 N ATOM 249 CA LYS A 19 5.706 -8.428 5.817 1.00 0.00 C ATOM 250 C LYS A 19 5.149 -9.474 4.856 1.00 0.00 C ATOM 251 O LYS A 19 5.607 -9.592 3.719 1.00 0.00 O ATOM 252 CB LYS A 19 6.992 -8.947 6.464 1.00 0.00 C ATOM 253 CG LYS A 19 7.675 -7.930 7.362 1.00 0.00 C ATOM 254 CD LYS A 19 8.292 -6.800 6.556 1.00 0.00 C ATOM 255 CE LYS A 19 9.640 -7.200 5.977 1.00 0.00 C ATOM 256 NZ LYS A 19 10.448 -6.013 5.584 1.00 0.00 N ATOM 0 H LYS A 19 5.090 -8.101 7.794 1.00 0.00 H new ATOM 0 HA LYS A 19 5.931 -7.524 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.761 -9.838 7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.686 -9.251 5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.951 -7.522 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.449 -8.424 7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.617 -6.517 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.414 -5.923 7.191 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.191 -7.788 6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.487 -7.839 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.359 -6.327 5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.934 -5.466 4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.616 -5.416 6.419 1.00 0.00 H new ATOM 270 N HIS A 20 4.158 -10.229 5.318 1.00 0.00 N ATOM 271 CA HIS A 20 3.538 -11.263 4.499 1.00 0.00 C ATOM 272 C HIS A 20 2.919 -10.661 3.241 1.00 0.00 C ATOM 273 O HIS A 20 3.329 -10.976 2.123 1.00 0.00 O ATOM 274 CB HIS A 20 2.470 -12.007 5.301 1.00 0.00 C ATOM 275 CG HIS A 20 1.661 -12.964 4.479 1.00 0.00 C ATOM 276 ND1 HIS A 20 2.159 -14.162 4.013 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.382 -12.892 4.041 1.00 0.00 C ATOM 278 CE1 HIS A 20 1.221 -14.787 3.323 1.00 0.00 C ATOM 279 NE2 HIS A 20 0.134 -14.037 3.325 1.00 0.00 N ATOM 0 H HIS A 20 3.767 -10.144 6.256 1.00 0.00 H new ATOM 0 HA HIS A 20 4.313 -11.968 4.200 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.952 -12.554 6.111 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.801 -11.280 5.761 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.313 -12.085 4.221 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.326 -15.747 2.840 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.748 -14.271 2.868 1.00 0.00 H new ATOM 288 N TYR A 21 1.930 -9.794 3.430 1.00 0.00 N ATOM 289 CA TYR A 21 1.253 -9.151 2.311 1.00 0.00 C ATOM 290 C TYR A 21 2.163 -8.125 1.641 1.00 0.00 C ATOM 291 O TYR A 21 2.182 -8.001 0.417 1.00 0.00 O ATOM 292 CB TYR A 21 -0.033 -8.474 2.787 1.00 0.00 C ATOM 293 CG TYR A 21 -1.215 -9.413 2.870 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.560 -10.224 1.796 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.989 -9.488 4.022 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.639 -11.083 1.867 1.00 0.00 C ATOM 297 CE2 TYR A 21 -3.070 -10.344 4.102 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.391 -11.140 3.022 1.00 0.00 C ATOM 299 OH TYR A 21 -4.467 -11.994 3.098 1.00 0.00 O ATOM 0 H TYR A 21 1.580 -9.521 4.348 1.00 0.00 H new ATOM 0 HA TYR A 21 1.002 -9.920 1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.140 -8.033 3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.276 -7.656 2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.974 -10.182 0.890 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.741 -8.866 4.869 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.893 -11.707 1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.661 -10.390 5.005 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.888 -11.912 3.979 1.00 0.00 H new ATOM 309 N PHE A 22 2.915 -7.390 2.455 1.00 0.00 N ATOM 310 CA PHE A 22 3.828 -6.375 1.942 1.00 0.00 C ATOM 311 C PHE A 22 4.691 -6.936 0.815 1.00 0.00 C ATOM 312 O PHE A 22 4.860 -6.301 -0.225 1.00 0.00 O ATOM 313 CB PHE A 22 4.719 -5.846 3.068 1.00 0.00 C ATOM 314 CG PHE A 22 5.738 -4.844 2.605 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.360 -3.760 1.828 1.00 0.00 C ATOM 316 CD2 PHE A 22 7.073 -4.985 2.946 1.00 0.00 C ATOM 317 CE1 PHE A 22 6.294 -2.836 1.401 1.00 0.00 C ATOM 318 CE2 PHE A 22 8.013 -4.064 2.521 1.00 0.00 C ATOM 319 CZ PHE A 22 7.622 -2.988 1.747 1.00 0.00 C ATOM 0 H PHE A 22 2.910 -7.478 3.471 1.00 0.00 H new ATOM 0 HA PHE A 22 3.232 -5.555 1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.091 -5.388 3.832 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.233 -6.684 3.538 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.323 -3.636 1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.384 -5.824 3.551 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.986 -1.995 0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.051 -4.185 2.794 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.354 -2.267 1.413 1.00 0.00 H new ATOM 329 N SER A 23 5.232 -8.130 1.033 1.00 0.00 N ATOM 330 CA SER A 23 6.082 -8.776 0.038 1.00 0.00 C ATOM 331 C SER A 23 5.430 -8.736 -1.341 1.00 0.00 C ATOM 332 O SER A 23 6.084 -8.439 -2.341 1.00 0.00 O ATOM 333 CB SER A 23 6.362 -10.226 0.440 1.00 0.00 C ATOM 334 OG SER A 23 7.480 -10.741 -0.260 1.00 0.00 O ATOM 0 H SER A 23 5.098 -8.670 1.888 1.00 0.00 H new ATOM 0 HA SER A 23 7.025 -8.230 -0.008 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.544 -10.281 1.513 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.485 -10.840 0.234 1.00 0.00 H new ATOM 0 HG SER A 23 7.640 -11.668 0.015 1.00 0.00 H new ATOM 340 N LEU A 24 4.136 -9.036 -1.386 1.00 0.00 N ATOM 341 CA LEU A 24 3.394 -9.035 -2.641 1.00 0.00 C ATOM 342 C LEU A 24 3.416 -7.652 -3.285 1.00 0.00 C ATOM 343 O LEU A 24 3.881 -7.487 -4.413 1.00 0.00 O ATOM 344 CB LEU A 24 1.950 -9.478 -2.404 1.00 0.00 C ATOM 345 CG LEU A 24 1.735 -10.973 -2.174 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.833 -11.306 -0.693 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.389 -11.411 -2.733 1.00 0.00 C ATOM 0 H LEU A 24 3.580 -9.283 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 24 3.875 -9.739 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.563 -8.939 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.352 -9.174 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 24 2.519 -11.518 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.677 -12.375 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.820 -11.030 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.072 -10.751 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.253 -12.479 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.409 -10.859 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.357 -11.210 -3.804 1.00 0.00 H new ATOM 359 N PHE A 25 2.910 -6.659 -2.560 1.00 0.00 N ATOM 360 CA PHE A 25 2.871 -5.290 -3.059 1.00 0.00 C ATOM 361 C PHE A 25 4.164 -4.942 -3.791 1.00 0.00 C ATOM 362 O PHE A 25 4.139 -4.421 -4.907 1.00 0.00 O ATOM 363 CB PHE A 25 2.645 -4.311 -1.906 1.00 0.00 C ATOM 364 CG PHE A 25 2.206 -2.946 -2.356 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.081 -2.792 -3.148 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.921 -1.818 -1.986 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.675 -1.537 -3.563 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.520 -0.562 -2.398 1.00 0.00 C ATOM 369 CZ PHE A 25 1.395 -0.422 -3.188 1.00 0.00 C ATOM 0 H PHE A 25 2.521 -6.778 -1.624 1.00 0.00 H new ATOM 0 HA PHE A 25 2.042 -5.209 -3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.893 -4.722 -1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.568 -4.217 -1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.514 -3.662 -3.445 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.801 -1.922 -1.369 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.205 -1.430 -4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.085 0.310 -2.103 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.080 0.559 -3.511 1.00 0.00 H new ATOM 379 N LYS A 26 5.294 -5.232 -3.154 1.00 0.00 N ATOM 380 CA LYS A 26 6.597 -4.951 -3.743 1.00 0.00 C ATOM 381 C LYS A 26 6.719 -5.584 -5.125 1.00 0.00 C ATOM 382 O LYS A 26 7.268 -4.983 -6.049 1.00 0.00 O ATOM 383 CB LYS A 26 7.713 -5.471 -2.833 1.00 0.00 C ATOM 384 CG LYS A 26 8.168 -4.463 -1.792 1.00 0.00 C ATOM 385 CD LYS A 26 9.272 -5.028 -0.913 1.00 0.00 C ATOM 386 CE LYS A 26 8.756 -6.146 -0.021 1.00 0.00 C ATOM 387 NZ LYS A 26 9.771 -6.565 0.986 1.00 0.00 N ATOM 0 H LYS A 26 5.333 -5.662 -2.230 1.00 0.00 H new ATOM 0 HA LYS A 26 6.694 -3.870 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.367 -6.372 -2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.567 -5.758 -3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.524 -3.561 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.321 -4.172 -1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.081 -5.405 -1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.691 -4.233 -0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.852 -5.815 0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.479 -7.003 -0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.630 -7.567 1.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.725 -6.434 0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.668 -5.987 1.844 1.00 0.00 H new ATOM 401 N SER A 27 6.201 -6.800 -5.262 1.00 0.00 N ATOM 402 CA SER A 27 6.253 -7.516 -6.532 1.00 0.00 C ATOM 403 C SER A 27 5.360 -6.844 -7.570 1.00 0.00 C ATOM 404 O SER A 27 5.704 -6.777 -8.752 1.00 0.00 O ATOM 405 CB SER A 27 5.824 -8.971 -6.339 1.00 0.00 C ATOM 406 OG SER A 27 6.926 -9.784 -5.972 1.00 0.00 O ATOM 0 H SER A 27 5.740 -7.311 -4.509 1.00 0.00 H new ATOM 0 HA SER A 27 7.281 -7.493 -6.893 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.054 -9.027 -5.569 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.381 -9.348 -7.261 1.00 0.00 H new ATOM 0 HG SER A 27 6.625 -10.709 -5.853 1.00 0.00 H new ATOM 412 N LEU A 28 4.211 -6.349 -7.122 1.00 0.00 N ATOM 413 CA LEU A 28 3.268 -5.681 -8.012 1.00 0.00 C ATOM 414 C LEU A 28 3.799 -4.320 -8.450 1.00 0.00 C ATOM 415 O LEU A 28 3.448 -3.818 -9.517 1.00 0.00 O ATOM 416 CB LEU A 28 1.914 -5.513 -7.319 1.00 0.00 C ATOM 417 CG LEU A 28 1.313 -6.779 -6.707 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.233 -6.422 -5.697 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.750 -7.682 -7.795 1.00 0.00 C ATOM 0 H LEU A 28 3.910 -6.398 -6.149 1.00 0.00 H new ATOM 0 HA LEU A 28 3.142 -6.303 -8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.022 -4.768 -6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.205 -5.111 -8.043 1.00 0.00 H new ATOM 0 HG LEU A 28 2.104 -7.319 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.184 -7.335 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.665 -5.815 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.558 -5.859 -6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.327 -8.578 -7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.028 -7.150 -8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.548 -7.965 -8.482 1.00 0.00 H new ATOM 431 N LEU A 29 4.651 -3.729 -7.619 1.00 0.00 N ATOM 432 CA LEU A 29 5.235 -2.427 -7.920 1.00 0.00 C ATOM 433 C LEU A 29 6.619 -2.581 -8.540 1.00 0.00 C ATOM 434 O LEU A 29 7.164 -1.636 -9.110 1.00 0.00 O ATOM 435 CB LEU A 29 5.323 -1.579 -6.649 1.00 0.00 C ATOM 436 CG LEU A 29 4.094 -0.732 -6.320 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.749 0.183 -7.485 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.911 -1.622 -5.970 1.00 0.00 C ATOM 0 H LEU A 29 4.953 -4.131 -6.731 1.00 0.00 H new ATOM 0 HA LEU A 29 4.589 -1.924 -8.640 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.518 -2.243 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.183 -0.916 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 29 4.325 -0.112 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.871 0.778 -7.233 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.590 0.845 -7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.538 -0.418 -8.369 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.045 -1.002 -5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.679 -2.268 -6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.160 -2.235 -5.104 1.00 0.00 H new ATOM 450 N ALA A 30 7.183 -3.778 -8.425 1.00 0.00 N ATOM 451 CA ALA A 30 8.503 -4.058 -8.979 1.00 0.00 C ATOM 452 C ALA A 30 8.659 -3.442 -10.364 1.00 0.00 C ATOM 453 O ALA A 30 9.727 -2.941 -10.715 1.00 0.00 O ATOM 454 CB ALA A 30 8.744 -5.560 -9.035 1.00 0.00 C ATOM 0 H ALA A 30 6.747 -4.570 -7.953 1.00 0.00 H new ATOM 0 HA ALA A 30 9.248 -3.606 -8.324 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.733 -5.755 -9.450 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.685 -5.976 -8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.987 -6.027 -9.666 1.00 0.00 H new ATOM 460 N ARG A 31 7.587 -3.484 -11.150 1.00 0.00 N ATOM 461 CA ARG A 31 7.606 -2.932 -12.498 1.00 0.00 C ATOM 462 C ARG A 31 7.658 -1.407 -12.461 1.00 0.00 C ATOM 463 O ARG A 31 8.506 -0.789 -13.105 1.00 0.00 O ATOM 464 CB ARG A 31 6.373 -3.391 -13.278 1.00 0.00 C ATOM 465 CG ARG A 31 5.156 -3.640 -12.402 1.00 0.00 C ATOM 466 CD ARG A 31 5.086 -5.088 -11.943 1.00 0.00 C ATOM 467 NE ARG A 31 4.526 -5.962 -12.971 1.00 0.00 N ATOM 468 CZ ARG A 31 3.934 -7.120 -12.708 1.00 0.00 C ATOM 469 NH1 ARG A 31 3.824 -7.544 -11.456 1.00 0.00 N ATOM 470 NH2 ARG A 31 3.449 -7.860 -13.698 1.00 0.00 N ATOM 0 H ARG A 31 6.695 -3.895 -10.875 1.00 0.00 H new ATOM 0 HA ARG A 31 8.502 -3.297 -13.000 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.124 -2.637 -14.025 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.615 -4.306 -13.818 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.192 -2.983 -11.533 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.251 -3.388 -12.955 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.086 -5.433 -11.679 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.478 -5.153 -11.041 1.00 0.00 H new ATOM 0 HE ARG A 31 4.594 -5.666 -13.945 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.195 -6.979 -10.692 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.368 -8.435 -11.257 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.531 -7.539 -14.663 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.994 -8.750 -13.494 1.00 0.00 H new ATOM 484 N ASP A 32 6.746 -0.808 -11.703 1.00 0.00 N ATOM 485 CA ASP A 32 6.688 0.644 -11.581 1.00 0.00 C ATOM 486 C ASP A 32 7.906 1.176 -10.833 1.00 0.00 C ATOM 487 O ASP A 32 8.697 1.946 -11.380 1.00 0.00 O ATOM 488 CB ASP A 32 5.406 1.066 -10.860 1.00 0.00 C ATOM 489 CG ASP A 32 4.192 1.023 -11.765 1.00 0.00 C ATOM 490 OD1 ASP A 32 4.170 1.770 -12.766 1.00 0.00 O ATOM 491 OD2 ASP A 32 3.263 0.241 -11.474 1.00 0.00 O ATOM 0 H ASP A 32 6.037 -1.305 -11.164 1.00 0.00 H new ATOM 0 HA ASP A 32 6.687 1.068 -12.585 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.241 0.411 -10.005 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.528 2.076 -10.469 1.00 0.00 H new ATOM 496 N LEU A 33 8.051 0.761 -9.579 1.00 0.00 N ATOM 497 CA LEU A 33 9.174 1.196 -8.755 1.00 0.00 C ATOM 498 C LEU A 33 10.498 0.713 -9.338 1.00 0.00 C ATOM 499 O LEU A 33 11.556 1.262 -9.037 1.00 0.00 O ATOM 500 CB LEU A 33 9.012 0.677 -7.326 1.00 0.00 C ATOM 501 CG LEU A 33 7.836 1.245 -6.533 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.831 0.696 -5.115 1.00 0.00 C ATOM 503 CD2 LEU A 33 7.890 2.766 -6.516 1.00 0.00 C ATOM 0 H LEU A 33 7.406 0.125 -9.111 1.00 0.00 H new ATOM 0 HA LEU A 33 9.183 2.286 -8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.908 -0.407 -7.365 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.930 0.890 -6.778 1.00 0.00 H new ATOM 0 HG LEU A 33 6.912 0.938 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.986 1.112 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.744 -0.390 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.759 0.972 -4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.045 3.154 -5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.821 3.092 -6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.843 3.143 -7.538 1.00 0.00 H new ATOM 515 N ASN A 34 10.428 -0.316 -10.176 1.00 0.00 N ATOM 516 CA ASN A 34 11.622 -0.873 -10.803 1.00 0.00 C ATOM 517 C ASN A 34 12.490 -1.594 -9.777 1.00 0.00 C ATOM 518 O ASN A 34 13.719 -1.529 -9.830 1.00 0.00 O ATOM 519 CB ASN A 34 12.430 0.235 -11.482 1.00 0.00 C ATOM 520 CG ASN A 34 13.284 -0.288 -12.621 1.00 0.00 C ATOM 521 OD1 ASN A 34 12.993 -1.334 -13.201 1.00 0.00 O ATOM 522 ND2 ASN A 34 14.346 0.440 -12.945 1.00 0.00 N ATOM 0 H ASN A 34 9.558 -0.781 -10.437 1.00 0.00 H new ATOM 0 HA ASN A 34 11.304 -1.595 -11.555 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.749 0.997 -11.862 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.070 0.719 -10.744 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.959 0.139 -13.702 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.549 1.301 -12.437 1.00 0.00 H new ATOM 529 N LEU A 35 11.844 -2.281 -8.842 1.00 0.00 N ATOM 530 CA LEU A 35 12.556 -3.017 -7.803 1.00 0.00 C ATOM 531 C LEU A 35 13.308 -4.205 -8.393 1.00 0.00 C ATOM 532 O LEU A 35 13.134 -4.541 -9.565 1.00 0.00 O ATOM 533 CB LEU A 35 11.577 -3.500 -6.730 1.00 0.00 C ATOM 534 CG LEU A 35 10.645 -2.438 -6.145 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.520 -3.091 -5.359 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.424 -1.472 -5.263 1.00 0.00 C ATOM 0 H LEU A 35 10.828 -2.344 -8.782 1.00 0.00 H new ATOM 0 HA LEU A 35 13.281 -2.342 -7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.966 -4.296 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.151 -3.940 -5.915 1.00 0.00 H new ATOM 0 HG LEU A 35 10.206 -1.874 -6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.867 -2.320 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.945 -3.741 -6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.940 -3.680 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.745 -0.723 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.891 -2.021 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.194 -0.979 -5.856 1.00 0.00 H new ATOM 548 N GLU A 36 14.141 -4.838 -7.574 1.00 0.00 N ATOM 549 CA GLU A 36 14.918 -5.990 -8.016 1.00 0.00 C ATOM 550 C GLU A 36 14.141 -7.286 -7.802 1.00 0.00 C ATOM 551 O GLU A 36 14.112 -7.829 -6.697 1.00 0.00 O ATOM 552 CB GLU A 36 16.250 -6.052 -7.267 1.00 0.00 C ATOM 553 CG GLU A 36 17.267 -5.029 -7.746 1.00 0.00 C ATOM 554 CD GLU A 36 18.270 -4.656 -6.672 1.00 0.00 C ATOM 555 OE1 GLU A 36 17.981 -3.728 -5.888 1.00 0.00 O ATOM 556 OE2 GLU A 36 19.343 -5.292 -6.615 1.00 0.00 O ATOM 0 H GLU A 36 14.295 -4.573 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 36 15.113 -5.876 -9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.066 -5.899 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.673 -7.051 -7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.798 -5.427 -8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.745 -4.131 -8.078 1.00 0.00 H new ATOM 563 N ARG A 37 13.510 -7.774 -8.865 1.00 0.00 N ATOM 564 CA ARG A 37 12.731 -9.004 -8.794 1.00 0.00 C ATOM 565 C ARG A 37 13.347 -9.981 -7.796 1.00 0.00 C ATOM 566 O ARG A 37 12.636 -10.724 -7.119 1.00 0.00 O ATOM 567 CB ARG A 37 12.641 -9.657 -10.174 1.00 0.00 C ATOM 568 CG ARG A 37 11.777 -8.885 -11.158 1.00 0.00 C ATOM 569 CD ARG A 37 11.524 -9.687 -12.424 1.00 0.00 C ATOM 570 NE ARG A 37 12.710 -9.756 -13.274 1.00 0.00 N ATOM 571 CZ ARG A 37 12.717 -10.306 -14.483 1.00 0.00 C ATOM 572 NH1 ARG A 37 11.607 -10.832 -14.982 1.00 0.00 N ATOM 573 NH2 ARG A 37 13.837 -10.332 -15.196 1.00 0.00 N ATOM 0 H ARG A 37 13.523 -7.336 -9.786 1.00 0.00 H new ATOM 0 HA ARG A 37 11.727 -8.749 -8.455 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.645 -9.757 -10.586 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.240 -10.665 -10.064 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.826 -8.633 -10.689 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.265 -7.945 -11.413 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.210 -10.696 -12.157 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.704 -9.235 -12.982 1.00 0.00 H new ATOM 0 HE ARG A 37 13.581 -9.360 -12.920 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.745 -10.815 -14.437 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.615 -11.254 -15.911 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.693 -9.929 -14.815 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.841 -10.755 -16.124 1.00 0.00 H new ATOM 587 N ASP A 38 14.672 -9.974 -7.711 1.00 0.00 N ATOM 588 CA ASP A 38 15.384 -10.858 -6.796 1.00 0.00 C ATOM 589 C ASP A 38 15.670 -10.155 -5.472 1.00 0.00 C ATOM 590 O ASP A 38 15.303 -10.648 -4.406 1.00 0.00 O ATOM 591 CB ASP A 38 16.694 -11.333 -7.427 1.00 0.00 C ATOM 592 CG ASP A 38 17.627 -11.970 -6.416 1.00 0.00 C ATOM 593 OD1 ASP A 38 18.031 -11.275 -5.462 1.00 0.00 O ATOM 594 OD2 ASP A 38 17.952 -13.164 -6.581 1.00 0.00 O ATOM 0 H ASP A 38 15.275 -9.366 -8.265 1.00 0.00 H new ATOM 0 HA ASP A 38 14.750 -11.722 -6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.474 -12.051 -8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.195 -10.487 -7.897 1.00 0.00 H new ATOM 599 N ASN A 39 16.326 -9.003 -5.550 1.00 0.00 N ATOM 600 CA ASN A 39 16.663 -8.234 -4.357 1.00 0.00 C ATOM 601 C ASN A 39 15.485 -7.369 -3.918 1.00 0.00 C ATOM 602 O ASN A 39 15.650 -6.189 -3.611 1.00 0.00 O ATOM 603 CB ASN A 39 17.886 -7.354 -4.620 1.00 0.00 C ATOM 604 CG ASN A 39 18.712 -7.121 -3.370 1.00 0.00 C ATOM 605 OD1 ASN A 39 19.073 -5.989 -3.052 1.00 0.00 O ATOM 606 ND2 ASN A 39 19.015 -8.198 -2.653 1.00 0.00 N ATOM 0 H ASN A 39 16.635 -8.581 -6.426 1.00 0.00 H new ATOM 0 HA ASN A 39 16.895 -8.936 -3.556 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.509 -7.822 -5.382 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.560 -6.394 -5.020 1.00 0.00 H new ATOM 0 HD21 ASN A 39 19.568 -8.105 -1.801 1.00 0.00 H new ATOM 0 HD22 ASN A 39 18.694 -9.118 -2.954 1.00 0.00 H new ATOM 613 N GLN A 40 14.298 -7.966 -3.891 1.00 0.00 N ATOM 614 CA GLN A 40 13.092 -7.249 -3.490 1.00 0.00 C ATOM 615 C GLN A 40 12.902 -7.309 -1.977 1.00 0.00 C ATOM 616 O GLN A 40 12.051 -6.614 -1.422 1.00 0.00 O ATOM 617 CB GLN A 40 11.867 -7.836 -4.193 1.00 0.00 C ATOM 618 CG GLN A 40 11.490 -7.103 -5.470 1.00 0.00 C ATOM 619 CD GLN A 40 10.768 -7.994 -6.463 1.00 0.00 C ATOM 620 OE1 GLN A 40 10.706 -9.211 -6.290 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.217 -7.389 -7.509 1.00 0.00 N ATOM 0 H GLN A 40 14.145 -8.943 -4.142 1.00 0.00 H new ATOM 0 HA GLN A 40 13.205 -6.205 -3.783 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.060 -8.883 -4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.020 -7.814 -3.508 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.855 -6.252 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.391 -6.703 -5.935 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.294 -6.377 -7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.717 -7.936 -8.210 1.00 0.00 H new ATOM 630 N GLU A 41 13.700 -8.143 -1.317 1.00 0.00 N ATOM 631 CA GLU A 41 13.617 -8.292 0.131 1.00 0.00 C ATOM 632 C GLU A 41 14.350 -7.155 0.837 1.00 0.00 C ATOM 633 O GLU A 41 13.823 -6.552 1.772 1.00 0.00 O ATOM 634 CB GLU A 41 14.205 -9.637 0.560 1.00 0.00 C ATOM 635 CG GLU A 41 15.664 -9.815 0.175 1.00 0.00 C ATOM 636 CD GLU A 41 16.615 -9.216 1.193 1.00 0.00 C ATOM 637 OE1 GLU A 41 16.243 -9.150 2.384 1.00 0.00 O ATOM 638 OE2 GLU A 41 17.728 -8.812 0.801 1.00 0.00 O ATOM 0 H GLU A 41 14.410 -8.725 -1.762 1.00 0.00 H new ATOM 0 HA GLU A 41 12.566 -8.255 0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.109 -9.738 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.619 -10.439 0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.879 -10.878 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.838 -9.351 -0.796 1.00 0.00 H new ATOM 645 N GLN A 42 15.565 -6.870 0.384 1.00 0.00 N ATOM 646 CA GLN A 42 16.370 -5.806 0.973 1.00 0.00 C ATOM 647 C GLN A 42 15.532 -4.552 1.201 1.00 0.00 C ATOM 648 O GLN A 42 15.792 -3.778 2.123 1.00 0.00 O ATOM 649 CB GLN A 42 17.563 -5.481 0.072 1.00 0.00 C ATOM 650 CG GLN A 42 17.182 -4.732 -1.195 1.00 0.00 C ATOM 651 CD GLN A 42 18.327 -3.911 -1.753 1.00 0.00 C ATOM 652 OE1 GLN A 42 19.247 -3.534 -1.029 1.00 0.00 O ATOM 653 NE2 GLN A 42 18.276 -3.630 -3.051 1.00 0.00 N ATOM 0 H GLN A 42 16.015 -7.360 -0.389 1.00 0.00 H new ATOM 0 HA GLN A 42 16.738 -6.155 1.938 1.00 0.00 H new ATOM 0 HB2 GLN A 42 18.281 -4.884 0.635 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.065 -6.409 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.850 -5.446 -1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.338 -4.075 -0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.494 -3.963 -3.615 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.019 -3.081 -3.484 1.00 0.00 H new ATOM 662 N TYR A 43 14.527 -4.356 0.354 1.00 0.00 N ATOM 663 CA TYR A 43 13.653 -3.195 0.461 1.00 0.00 C ATOM 664 C TYR A 43 12.687 -3.345 1.632 1.00 0.00 C ATOM 665 O TYR A 43 12.310 -4.458 2.002 1.00 0.00 O ATOM 666 CB TYR A 43 12.871 -2.997 -0.838 1.00 0.00 C ATOM 667 CG TYR A 43 13.726 -2.533 -1.996 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.601 -1.463 -1.853 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.657 -3.164 -3.232 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.384 -1.035 -2.908 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.437 -2.743 -4.292 1.00 0.00 C ATOM 672 CZ TYR A 43 15.299 -1.679 -4.124 1.00 0.00 C ATOM 673 OH TYR A 43 16.076 -1.256 -5.179 1.00 0.00 O ATOM 0 H TYR A 43 14.298 -4.987 -0.414 1.00 0.00 H new ATOM 0 HA TYR A 43 14.277 -2.319 0.639 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.388 -3.936 -1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.079 -2.268 -0.668 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.670 -0.957 -0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.983 -3.997 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 43 16.058 -0.201 -2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.372 -3.244 -5.247 1.00 0.00 H new ATOM 0 HH TYR A 43 16.687 -1.975 -5.444 1.00 0.00 H new ATOM 683 N THR A 44 12.289 -2.217 2.212 1.00 0.00 N ATOM 684 CA THR A 44 11.367 -2.221 3.341 1.00 0.00 C ATOM 685 C THR A 44 10.212 -1.255 3.111 1.00 0.00 C ATOM 686 O THR A 44 10.244 -0.439 2.189 1.00 0.00 O ATOM 687 CB THR A 44 12.084 -1.846 4.652 1.00 0.00 C ATOM 688 OG1 THR A 44 12.626 -0.525 4.553 1.00 0.00 O ATOM 689 CG2 THR A 44 13.196 -2.836 4.963 1.00 0.00 C ATOM 0 H THR A 44 12.591 -1.288 1.918 1.00 0.00 H new ATOM 0 HA THR A 44 10.976 -3.235 3.427 1.00 0.00 H new ATOM 0 HB THR A 44 11.355 -1.878 5.462 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.079 -0.293 5.391 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.688 -2.551 5.893 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.774 -3.836 5.067 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.924 -2.832 4.152 1.00 0.00 H new ATOM 697 N THR A 45 9.190 -1.348 3.957 1.00 0.00 N ATOM 698 CA THR A 45 8.024 -0.482 3.846 1.00 0.00 C ATOM 699 C THR A 45 8.434 0.984 3.756 1.00 0.00 C ATOM 700 O THR A 45 7.714 1.805 3.188 1.00 0.00 O ATOM 701 CB THR A 45 7.073 -0.664 5.044 1.00 0.00 C ATOM 702 OG1 THR A 45 7.823 -0.718 6.262 1.00 0.00 O ATOM 703 CG2 THR A 45 6.250 -1.934 4.893 1.00 0.00 C ATOM 0 H THR A 45 9.147 -2.016 4.727 1.00 0.00 H new ATOM 0 HA THR A 45 7.504 -0.768 2.932 1.00 0.00 H new ATOM 0 HB THR A 45 6.395 0.189 5.074 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.211 -0.832 7.019 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.586 -2.041 5.751 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.657 -1.877 3.980 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.916 -2.795 4.840 1.00 0.00 H new ATOM 711 N ILE A 46 9.595 1.304 4.317 1.00 0.00 N ATOM 712 CA ILE A 46 10.101 2.670 4.298 1.00 0.00 C ATOM 713 C ILE A 46 10.666 3.028 2.928 1.00 0.00 C ATOM 714 O ILE A 46 10.099 3.849 2.207 1.00 0.00 O ATOM 715 CB ILE A 46 11.194 2.882 5.362 1.00 0.00 C ATOM 716 CG1 ILE A 46 10.580 2.869 6.764 1.00 0.00 C ATOM 717 CG2 ILE A 46 11.931 4.189 5.113 1.00 0.00 C ATOM 718 CD1 ILE A 46 9.555 3.959 6.985 1.00 0.00 C ATOM 0 H ILE A 46 10.203 0.635 4.790 1.00 0.00 H new ATOM 0 HA ILE A 46 9.256 3.321 4.522 1.00 0.00 H new ATOM 0 HB ILE A 46 11.912 2.065 5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.111 1.900 6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.376 2.975 7.501 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.700 4.324 5.874 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.396 4.162 4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.226 5.019 5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.162 3.889 7.999 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.023 4.933 6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.740 3.842 6.271 1.00 0.00 H new ATOM 730 N GLN A 47 11.786 2.405 2.574 1.00 0.00 N ATOM 731 CA GLN A 47 12.426 2.657 1.289 1.00 0.00 C ATOM 732 C GLN A 47 11.403 2.650 0.159 1.00 0.00 C ATOM 733 O GLN A 47 11.403 3.533 -0.698 1.00 0.00 O ATOM 734 CB GLN A 47 13.508 1.609 1.021 1.00 0.00 C ATOM 735 CG GLN A 47 14.567 1.533 2.109 1.00 0.00 C ATOM 736 CD GLN A 47 15.872 0.944 1.613 1.00 0.00 C ATOM 737 OE1 GLN A 47 16.396 1.349 0.575 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.406 -0.020 2.354 1.00 0.00 N ATOM 0 H GLN A 47 12.268 1.723 3.159 1.00 0.00 H new ATOM 0 HA GLN A 47 12.887 3.644 1.329 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.037 0.632 0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.992 1.834 0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.750 2.533 2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.191 0.929 2.935 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.938 -0.326 3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.284 -0.455 2.070 1.00 0.00 H new ATOM 747 N ILE A 48 10.530 1.647 0.164 1.00 0.00 N ATOM 748 CA ILE A 48 9.500 1.526 -0.860 1.00 0.00 C ATOM 749 C ILE A 48 8.542 2.711 -0.819 1.00 0.00 C ATOM 750 O ILE A 48 8.097 3.199 -1.857 1.00 0.00 O ATOM 751 CB ILE A 48 8.695 0.223 -0.697 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.598 -0.991 -0.924 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.519 0.204 -1.662 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.023 -1.168 -2.365 1.00 0.00 C ATOM 0 H ILE A 48 10.516 0.907 0.866 1.00 0.00 H new ATOM 0 HA ILE A 48 10.012 1.509 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 48 8.306 0.177 0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.487 -0.894 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.075 -1.889 -0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.959 -0.723 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.867 1.053 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.887 0.268 -2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.661 -2.048 -2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.140 -1.297 -2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.574 -0.287 -2.693 1.00 0.00 H new ATOM 766 N ALA A 49 8.230 3.171 0.388 1.00 0.00 N ATOM 767 CA ALA A 49 7.327 4.302 0.564 1.00 0.00 C ATOM 768 C ALA A 49 7.853 5.541 -0.152 1.00 0.00 C ATOM 769 O ALA A 49 7.215 6.058 -1.067 1.00 0.00 O ATOM 770 CB ALA A 49 7.126 4.591 2.045 1.00 0.00 C ATOM 0 H ALA A 49 8.589 2.778 1.258 1.00 0.00 H new ATOM 0 HA ALA A 49 6.366 4.040 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.450 5.438 2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.698 3.715 2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.086 4.828 2.503 1.00 0.00 H new ATOM 776 N ASN A 50 9.022 6.014 0.273 1.00 0.00 N ATOM 777 CA ASN A 50 9.632 7.193 -0.328 1.00 0.00 C ATOM 778 C ASN A 50 9.591 7.112 -1.851 1.00 0.00 C ATOM 779 O ASN A 50 9.040 7.989 -2.514 1.00 0.00 O ATOM 780 CB ASN A 50 11.079 7.342 0.148 1.00 0.00 C ATOM 781 CG ASN A 50 11.173 7.656 1.628 1.00 0.00 C ATOM 782 OD1 ASN A 50 11.267 8.819 2.022 1.00 0.00 O ATOM 783 ND2 ASN A 50 11.147 6.619 2.456 1.00 0.00 N ATOM 0 H ASN A 50 9.564 5.598 1.031 1.00 0.00 H new ATOM 0 HA ASN A 50 9.061 8.067 -0.014 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.623 6.421 -0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.565 8.135 -0.420 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.206 6.769 3.463 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.068 5.672 2.085 1.00 0.00 H new ATOM 790 N MET A 51 10.177 6.052 -2.398 1.00 0.00 N ATOM 791 CA MET A 51 10.206 5.855 -3.842 1.00 0.00 C ATOM 792 C MET A 51 8.846 6.166 -4.459 1.00 0.00 C ATOM 793 O MET A 51 8.759 6.851 -5.479 1.00 0.00 O ATOM 794 CB MET A 51 10.614 4.419 -4.174 1.00 0.00 C ATOM 795 CG MET A 51 12.115 4.233 -4.326 1.00 0.00 C ATOM 796 SD MET A 51 12.542 2.725 -5.217 1.00 0.00 S ATOM 797 CE MET A 51 12.873 1.610 -3.854 1.00 0.00 C ATOM 0 H MET A 51 10.638 5.316 -1.863 1.00 0.00 H new ATOM 0 HA MET A 51 10.942 6.540 -4.263 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.252 3.756 -3.388 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.123 4.115 -5.099 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.532 5.092 -4.852 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.576 4.210 -3.339 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.152 0.631 -4.244 1.00 0.00 H new ATOM 0 HE2 MET A 51 13.690 2.006 -3.250 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.979 1.514 -3.237 1.00 0.00 H new ATOM 807 N MET A 52 7.788 5.658 -3.836 1.00 0.00 N ATOM 808 CA MET A 52 6.433 5.882 -4.325 1.00 0.00 C ATOM 809 C MET A 52 6.041 7.350 -4.185 1.00 0.00 C ATOM 810 O MET A 52 5.599 7.977 -5.148 1.00 0.00 O ATOM 811 CB MET A 52 5.440 5.003 -3.562 1.00 0.00 C ATOM 812 CG MET A 52 5.510 3.534 -3.947 1.00 0.00 C ATOM 813 SD MET A 52 4.165 2.565 -3.238 1.00 0.00 S ATOM 814 CE MET A 52 2.934 2.695 -4.532 1.00 0.00 C ATOM 0 H MET A 52 7.843 5.088 -2.992 1.00 0.00 H new ATOM 0 HA MET A 52 6.406 5.615 -5.381 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.629 5.100 -2.493 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.429 5.370 -3.742 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.483 3.445 -5.033 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.463 3.121 -3.617 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.968 2.367 -4.149 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.861 3.731 -4.862 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.223 2.066 -5.374 1.00 0.00 H new ATOM 824 N GLU A 53 6.206 7.891 -2.982 1.00 0.00 N ATOM 825 CA GLU A 53 5.867 9.284 -2.718 1.00 0.00 C ATOM 826 C GLU A 53 6.345 10.184 -3.854 1.00 0.00 C ATOM 827 O GLU A 53 5.768 11.242 -4.106 1.00 0.00 O ATOM 828 CB GLU A 53 6.486 9.740 -1.396 1.00 0.00 C ATOM 829 CG GLU A 53 5.702 9.300 -0.172 1.00 0.00 C ATOM 830 CD GLU A 53 5.920 10.210 1.020 1.00 0.00 C ATOM 831 OE1 GLU A 53 7.021 10.161 1.610 1.00 0.00 O ATOM 832 OE2 GLU A 53 4.992 10.971 1.365 1.00 0.00 O ATOM 0 H GLU A 53 6.572 7.386 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 53 4.782 9.361 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.501 9.349 -1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.562 10.827 -1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.640 9.275 -0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.992 8.284 0.094 1.00 0.00 H new ATOM 839 N GLU A 54 7.402 9.756 -4.536 1.00 0.00 N ATOM 840 CA GLU A 54 7.959 10.524 -5.643 1.00 0.00 C ATOM 841 C GLU A 54 7.417 10.025 -6.979 1.00 0.00 C ATOM 842 O GLU A 54 7.100 10.814 -7.869 1.00 0.00 O ATOM 843 CB GLU A 54 9.487 10.437 -5.637 1.00 0.00 C ATOM 844 CG GLU A 54 10.108 10.533 -7.021 1.00 0.00 C ATOM 845 CD GLU A 54 11.484 11.170 -6.999 1.00 0.00 C ATOM 846 OE1 GLU A 54 12.362 10.659 -6.271 1.00 0.00 O ATOM 847 OE2 GLU A 54 11.685 12.177 -7.710 1.00 0.00 O ATOM 0 H GLU A 54 7.890 8.882 -4.342 1.00 0.00 H new ATOM 0 HA GLU A 54 7.661 11.564 -5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.886 11.237 -5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.787 9.495 -5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.180 9.535 -7.453 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.453 11.114 -7.670 1.00 0.00 H new ATOM 854 N LYS A 55 7.312 8.706 -7.112 1.00 0.00 N ATOM 855 CA LYS A 55 6.807 8.098 -8.338 1.00 0.00 C ATOM 856 C LYS A 55 5.414 8.621 -8.670 1.00 0.00 C ATOM 857 O LYS A 55 5.193 9.193 -9.738 1.00 0.00 O ATOM 858 CB LYS A 55 6.772 6.575 -8.199 1.00 0.00 C ATOM 859 CG LYS A 55 6.165 5.868 -9.399 1.00 0.00 C ATOM 860 CD LYS A 55 7.191 5.657 -10.500 1.00 0.00 C ATOM 861 CE LYS A 55 6.628 4.805 -11.627 1.00 0.00 C ATOM 862 NZ LYS A 55 5.738 5.592 -12.526 1.00 0.00 N ATOM 0 H LYS A 55 7.570 8.038 -6.386 1.00 0.00 H new ATOM 0 HA LYS A 55 7.480 8.367 -9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.788 6.209 -8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.203 6.313 -7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.760 4.905 -9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.331 6.455 -9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.507 6.623 -10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.077 5.176 -10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.448 4.382 -12.207 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.071 3.968 -11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.375 4.976 -13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.941 5.975 -11.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.276 6.376 -12.948 1.00 0.00 H new ATOM 876 N PHE A 56 4.477 8.423 -7.750 1.00 0.00 N ATOM 877 CA PHE A 56 3.104 8.874 -7.946 1.00 0.00 C ATOM 878 C PHE A 56 2.781 10.045 -7.023 1.00 0.00 C ATOM 879 O PHE A 56 2.228 9.877 -5.935 1.00 0.00 O ATOM 880 CB PHE A 56 2.125 7.725 -7.693 1.00 0.00 C ATOM 881 CG PHE A 56 2.680 6.376 -8.049 1.00 0.00 C ATOM 882 CD1 PHE A 56 3.380 5.630 -7.114 1.00 0.00 C ATOM 883 CD2 PHE A 56 2.503 5.853 -9.321 1.00 0.00 C ATOM 884 CE1 PHE A 56 3.891 4.388 -7.439 1.00 0.00 C ATOM 885 CE2 PHE A 56 3.012 4.611 -9.651 1.00 0.00 C ATOM 886 CZ PHE A 56 3.708 3.878 -8.709 1.00 0.00 C ATOM 0 H PHE A 56 4.643 7.953 -6.860 1.00 0.00 H new ATOM 0 HA PHE A 56 3.001 9.208 -8.979 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.840 7.726 -6.641 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.216 7.899 -8.269 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.528 6.024 -6.119 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.962 6.422 -10.062 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.433 3.817 -6.700 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.866 4.214 -10.645 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.108 2.908 -8.966 1.00 0.00 H new ATOM 896 N PRO A 57 3.132 11.261 -7.465 1.00 0.00 N ATOM 897 CA PRO A 57 2.889 12.485 -6.695 1.00 0.00 C ATOM 898 C PRO A 57 1.407 12.835 -6.615 1.00 0.00 C ATOM 899 O PRO A 57 1.026 13.823 -5.989 1.00 0.00 O ATOM 900 CB PRO A 57 3.649 13.555 -7.481 1.00 0.00 C ATOM 901 CG PRO A 57 3.708 13.033 -8.875 1.00 0.00 C ATOM 902 CD PRO A 57 3.794 11.536 -8.752 1.00 0.00 C ATOM 0 HA PRO A 57 3.214 12.386 -5.659 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.136 14.516 -7.440 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.648 13.710 -7.074 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.824 13.328 -9.440 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.573 13.432 -9.405 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.290 11.035 -9.578 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.828 11.191 -8.754 1.00 0.00 H new ATOM 910 N ALA A 58 0.576 12.018 -7.253 1.00 0.00 N ATOM 911 CA ALA A 58 -0.865 12.239 -7.251 1.00 0.00 C ATOM 912 C ALA A 58 -1.502 11.697 -5.977 1.00 0.00 C ATOM 913 O ALA A 58 -2.182 12.426 -5.253 1.00 0.00 O ATOM 914 CB ALA A 58 -1.500 11.598 -8.475 1.00 0.00 C ATOM 0 H ALA A 58 0.876 11.197 -7.778 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.042 13.314 -7.285 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.576 11.771 -8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.075 12.037 -9.378 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.305 10.526 -8.466 1.00 0.00 H new ATOM 920 N ASP A 59 -1.280 10.415 -5.708 1.00 0.00 N ATOM 921 CA ASP A 59 -1.833 9.775 -4.521 1.00 0.00 C ATOM 922 C ASP A 59 -0.720 9.285 -3.600 1.00 0.00 C ATOM 923 O ASP A 59 -0.974 8.876 -2.467 1.00 0.00 O ATOM 924 CB ASP A 59 -2.735 8.606 -4.918 1.00 0.00 C ATOM 925 CG ASP A 59 -2.105 7.723 -5.977 1.00 0.00 C ATOM 926 OD1 ASP A 59 -1.322 6.823 -5.609 1.00 0.00 O ATOM 927 OD2 ASP A 59 -2.397 7.930 -7.173 1.00 0.00 O ATOM 0 H ASP A 59 -0.720 9.798 -6.297 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.427 10.514 -3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.958 8.007 -4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.684 8.993 -5.289 1.00 0.00 H new ATOM 932 N SER A 60 0.513 9.326 -4.096 1.00 0.00 N ATOM 933 CA SER A 60 1.664 8.882 -3.320 1.00 0.00 C ATOM 934 C SER A 60 1.556 7.396 -2.992 1.00 0.00 C ATOM 935 O SER A 60 2.048 6.939 -1.960 1.00 0.00 O ATOM 936 CB SER A 60 1.780 9.694 -2.028 1.00 0.00 C ATOM 937 OG SER A 60 2.099 11.047 -2.303 1.00 0.00 O ATOM 0 H SER A 60 0.740 9.662 -5.032 1.00 0.00 H new ATOM 0 HA SER A 60 2.559 9.040 -3.921 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.841 9.643 -1.477 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.548 9.259 -1.389 1.00 0.00 H new ATOM 0 HG SER A 60 2.166 11.545 -1.462 1.00 0.00 H new ATOM 943 N GLY A 61 0.910 6.646 -3.879 1.00 0.00 N ATOM 944 CA GLY A 61 0.748 5.219 -3.667 1.00 0.00 C ATOM 945 C GLY A 61 -0.529 4.884 -2.923 1.00 0.00 C ATOM 946 O GLY A 61 -0.993 3.743 -2.952 1.00 0.00 O ATOM 0 H GLY A 61 0.496 7.001 -4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.748 4.710 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.602 4.839 -3.106 1.00 0.00 H new ATOM 950 N LEU A 62 -1.099 5.879 -2.253 1.00 0.00 N ATOM 951 CA LEU A 62 -2.332 5.684 -1.496 1.00 0.00 C ATOM 952 C LEU A 62 -3.311 4.806 -2.267 1.00 0.00 C ATOM 953 O LEU A 62 -3.889 3.870 -1.715 1.00 0.00 O ATOM 954 CB LEU A 62 -2.979 7.035 -1.181 1.00 0.00 C ATOM 955 CG LEU A 62 -4.472 7.003 -0.853 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.715 6.269 0.457 1.00 0.00 C ATOM 957 CD2 LEU A 62 -5.033 8.416 -0.788 1.00 0.00 C ATOM 0 H LEU A 62 -0.728 6.829 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.081 5.182 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.451 7.480 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.829 7.695 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.989 6.465 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.783 6.256 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.349 5.246 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.187 6.779 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.097 8.375 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.512 8.979 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.892 8.908 -1.750 1.00 0.00 H new ATOM 969 N GLY A 63 -3.492 5.113 -3.548 1.00 0.00 N ATOM 970 CA GLY A 63 -4.401 4.341 -4.375 1.00 0.00 C ATOM 971 C GLY A 63 -3.870 2.955 -4.682 1.00 0.00 C ATOM 972 O GLY A 63 -4.499 1.951 -4.344 1.00 0.00 O ATOM 0 H GLY A 63 -3.025 5.883 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.363 4.254 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.579 4.874 -5.309 1.00 0.00 H new ATOM 976 N LYS A 64 -2.708 2.897 -5.325 1.00 0.00 N ATOM 977 CA LYS A 64 -2.092 1.624 -5.678 1.00 0.00 C ATOM 978 C LYS A 64 -2.205 0.627 -4.529 1.00 0.00 C ATOM 979 O LYS A 64 -2.397 -0.570 -4.749 1.00 0.00 O ATOM 980 CB LYS A 64 -0.621 1.831 -6.046 1.00 0.00 C ATOM 981 CG LYS A 64 -0.072 0.770 -6.984 1.00 0.00 C ATOM 982 CD LYS A 64 -0.617 0.936 -8.392 1.00 0.00 C ATOM 983 CE LYS A 64 0.322 0.335 -9.427 1.00 0.00 C ATOM 984 NZ LYS A 64 0.160 -1.142 -9.532 1.00 0.00 N ATOM 0 H LYS A 64 -2.174 3.717 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.622 1.219 -6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.506 2.810 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.025 1.840 -5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.016 0.829 -7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.331 -0.219 -6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.594 0.458 -8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.764 1.995 -8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.131 0.791 -10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.353 0.569 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.817 -1.513 -10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.366 -1.580 -8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.817 -1.365 -9.810 1.00 0.00 H new ATOM 998 N LEU A 65 -2.086 1.127 -3.305 1.00 0.00 N ATOM 999 CA LEU A 65 -2.176 0.280 -2.120 1.00 0.00 C ATOM 1000 C LEU A 65 -3.607 -0.205 -1.906 1.00 0.00 C ATOM 1001 O LEU A 65 -3.859 -1.407 -1.830 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.694 1.043 -0.885 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.610 0.237 0.411 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.995 0.041 1.008 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.939 -1.105 0.163 1.00 0.00 C ATOM 0 H LEU A 65 -1.927 2.115 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.536 -0.589 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.707 1.454 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.362 1.888 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.005 0.796 1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.916 -0.535 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.439 1.013 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.625 -0.496 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.888 -1.665 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.516 -1.671 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.069 -0.943 -0.218 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.537 0.738 -1.809 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.942 0.406 -1.607 1.00 0.00 C ATOM 1019 C ILE A 66 -6.350 -0.796 -2.452 1.00 0.00 C ATOM 1020 O ILE A 66 -6.850 -1.792 -1.930 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.857 1.597 -1.952 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.776 2.664 -0.859 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.292 1.126 -2.135 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -7.193 4.040 -1.327 1.00 0.00 C ATOM 0 H ILE A 66 -4.344 1.738 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.060 0.161 -0.551 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.517 2.038 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.409 2.366 -0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.754 2.711 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.926 1.978 -2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.336 0.398 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.644 0.664 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.111 4.746 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.544 4.359 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.225 4.008 -1.676 1.00 0.00 H new ATOM 1036 N GLU A 67 -6.131 -0.696 -3.759 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.476 -1.776 -4.676 1.00 0.00 C ATOM 1038 C GLU A 67 -5.895 -3.103 -4.195 1.00 0.00 C ATOM 1039 O GLU A 67 -6.605 -4.105 -4.097 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.964 -1.463 -6.083 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.703 -0.320 -6.760 1.00 0.00 C ATOM 1042 CD GLU A 67 -8.101 -0.709 -7.199 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -8.228 -1.661 -7.998 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -9.068 -0.061 -6.747 1.00 0.00 O ATOM 0 H GLU A 67 -5.716 0.121 -4.207 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.562 -1.863 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.904 -1.217 -6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.052 -2.357 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.763 0.525 -6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.133 0.013 -7.627 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.600 -3.102 -3.896 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.924 -4.305 -3.428 1.00 0.00 C ATOM 1053 C PHE A 68 -4.672 -4.928 -2.253 1.00 0.00 C ATOM 1054 O PHE A 68 -4.677 -6.149 -2.083 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.486 -3.980 -3.016 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.802 -5.102 -2.289 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.430 -6.255 -2.961 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.531 -5.003 -0.934 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.800 -7.290 -2.295 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -0.900 -6.034 -0.263 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.536 -7.179 -0.944 1.00 0.00 C ATOM 0 H PHE A 68 -3.999 -2.282 -3.970 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.907 -5.024 -4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.909 -3.730 -3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.490 -3.095 -2.380 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.635 -6.346 -4.018 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.816 -4.111 -0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.515 -8.184 -2.830 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.692 -5.944 0.793 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.046 -7.987 -0.421 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.303 -4.082 -1.446 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.054 -4.549 -0.286 1.00 0.00 C ATOM 1073 C CYS A 69 -7.446 -5.021 -0.694 1.00 0.00 C ATOM 1074 O CYS A 69 -8.021 -5.906 -0.063 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.165 -3.437 0.757 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.625 -3.101 1.645 1.00 0.00 S ATOM 0 H CYS A 69 -5.310 -3.070 -1.573 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.517 -5.392 0.148 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.494 -2.522 0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.937 -3.706 1.478 1.00 0.00 H new ATOM 0 HG CYS A 69 -4.819 -2.144 2.503 1.00 0.00 H new ATOM 1082 N GLU A 70 -7.983 -4.421 -1.753 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.308 -4.779 -2.242 1.00 0.00 C ATOM 1084 C GLU A 70 -9.327 -6.213 -2.763 1.00 0.00 C ATOM 1085 O GLU A 70 -10.222 -6.991 -2.435 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.744 -3.816 -3.350 1.00 0.00 C ATOM 1087 CG GLU A 70 -9.999 -2.400 -2.860 1.00 0.00 C ATOM 1088 CD GLU A 70 -10.468 -1.476 -3.966 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -10.149 -1.747 -5.143 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -11.155 -0.480 -3.655 1.00 0.00 O ATOM 0 H GLU A 70 -7.520 -3.686 -2.287 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.007 -4.704 -1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.975 -3.791 -4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.652 -4.199 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.748 -2.423 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.084 -2.001 -2.422 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.333 -6.554 -3.578 1.00 0.00 N ATOM 1098 CA GLU A 71 -8.237 -7.893 -4.146 1.00 0.00 C ATOM 1099 C GLU A 71 -8.273 -8.952 -3.048 1.00 0.00 C ATOM 1100 O GLU A 71 -8.738 -10.071 -3.265 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.952 -8.032 -4.964 1.00 0.00 C ATOM 1102 CG GLU A 71 -5.737 -8.406 -4.131 1.00 0.00 C ATOM 1103 CD GLU A 71 -4.435 -8.241 -4.891 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -4.343 -8.753 -6.025 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -3.510 -7.599 -4.351 1.00 0.00 O ATOM 0 H GLU A 71 -7.584 -5.922 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.094 -8.046 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.101 -8.789 -5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.754 -7.091 -5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.711 -7.786 -3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.832 -9.440 -3.801 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.775 -8.592 -1.870 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.750 -9.511 -0.737 1.00 0.00 C ATOM 1114 C VAL A 72 -8.931 -9.266 0.195 1.00 0.00 C ATOM 1115 O VAL A 72 -9.205 -8.139 0.608 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.441 -9.378 0.063 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.166 -10.649 0.853 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -5.279 -9.055 -0.864 1.00 0.00 C ATOM 0 H VAL A 72 -7.383 -7.671 -1.674 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.817 -10.520 -1.145 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.551 -8.556 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.237 -10.536 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.987 -10.831 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.077 -11.492 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.363 -8.965 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.165 -9.854 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.475 -8.115 -1.379 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.647 -10.347 0.538 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.811 -10.275 1.427 1.00 0.00 C ATOM 1130 C PRO A 73 -10.422 -9.957 2.866 1.00 0.00 C ATOM 1131 O PRO A 73 -11.270 -9.604 3.685 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.414 -11.679 1.334 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.273 -12.558 0.954 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.378 -11.721 0.083 1.00 0.00 C ATOM 0 HA PRO A 73 -11.498 -9.480 1.136 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.850 -11.986 2.284 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.210 -11.719 0.590 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.740 -12.909 1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.622 -13.442 0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.329 -11.988 0.210 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.613 -11.848 -0.974 1.00 0.00 H new ATOM 1142 N ALA A 74 -9.133 -10.082 3.168 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.632 -9.805 4.508 1.00 0.00 C ATOM 1144 C ALA A 74 -8.109 -8.377 4.614 1.00 0.00 C ATOM 1145 O ALA A 74 -7.929 -7.851 5.714 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.539 -10.798 4.879 1.00 0.00 C ATOM 0 H ALA A 74 -8.417 -10.373 2.502 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.460 -9.914 5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.174 -10.579 5.882 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.943 -11.810 4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.717 -10.717 4.168 1.00 0.00 H new ATOM 1152 N LEU A 75 -7.868 -7.753 3.466 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.365 -6.385 3.430 1.00 0.00 C ATOM 1154 C LEU A 75 -8.473 -5.407 3.051 1.00 0.00 C ATOM 1155 O LEU A 75 -8.423 -4.229 3.404 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.207 -6.272 2.436 1.00 0.00 C ATOM 1157 CG LEU A 75 -4.978 -7.127 2.739 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -3.901 -6.905 1.688 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.441 -6.818 4.128 1.00 0.00 C ATOM 0 H LEU A 75 -8.013 -8.173 2.548 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.006 -6.130 4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.577 -6.540 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.896 -5.228 2.388 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.274 -8.176 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.033 -7.522 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.288 -7.178 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.608 -5.855 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.566 -7.437 4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.162 -5.766 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.210 -7.030 4.871 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.474 -5.905 2.332 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.596 -5.076 1.907 1.00 0.00 C ATOM 1173 C ARG A 76 -11.035 -4.140 3.027 1.00 0.00 C ATOM 1174 O ARG A 76 -11.470 -3.016 2.778 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.770 -5.955 1.471 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.737 -6.329 -0.002 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.984 -7.099 -0.409 1.00 0.00 C ATOM 1178 NE ARG A 76 -13.235 -7.014 -1.845 1.00 0.00 N ATOM 1179 CZ ARG A 76 -14.374 -7.391 -2.416 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -15.361 -7.875 -1.675 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -14.527 -7.282 -3.729 1.00 0.00 N ATOM 0 H ARG A 76 -9.531 -6.878 2.032 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.269 -4.472 1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.772 -6.867 2.069 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.703 -5.433 1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.652 -5.426 -0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.853 -6.933 -0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.874 -8.145 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.845 -6.708 0.133 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.495 -6.645 -2.443 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -15.247 -7.958 -0.665 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.235 -8.164 -2.115 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.770 -6.908 -4.301 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.402 -7.572 -4.166 1.00 0.00 H new ATOM 1195 N LYS A 77 -10.920 -4.611 4.265 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.304 -3.815 5.425 1.00 0.00 C ATOM 1197 C LYS A 77 -10.462 -2.547 5.519 1.00 0.00 C ATOM 1198 O LYS A 77 -10.981 -1.466 5.797 1.00 0.00 O ATOM 1199 CB LYS A 77 -11.150 -4.639 6.706 1.00 0.00 C ATOM 1200 CG LYS A 77 -11.983 -4.121 7.865 1.00 0.00 C ATOM 1201 CD LYS A 77 -12.171 -5.183 8.935 1.00 0.00 C ATOM 1202 CE LYS A 77 -12.804 -4.605 10.191 1.00 0.00 C ATOM 1203 NZ LYS A 77 -14.287 -4.525 10.080 1.00 0.00 N ATOM 0 H LYS A 77 -10.564 -5.540 4.490 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.349 -3.527 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.432 -5.672 6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.100 -4.647 6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.499 -3.247 8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.957 -3.797 7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.799 -5.985 8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.206 -5.625 9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.537 -5.222 11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.400 -3.610 10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.680 -4.126 10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.543 -3.916 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.676 -5.478 9.929 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.162 -2.687 5.286 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.248 -1.552 5.343 1.00 0.00 C ATOM 1219 C ARG A 78 -8.430 -0.646 4.130 1.00 0.00 C ATOM 1220 O ARG A 78 -8.447 0.578 4.253 1.00 0.00 O ATOM 1221 CB ARG A 78 -6.800 -2.039 5.418 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.438 -2.670 6.752 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.109 -1.615 7.797 1.00 0.00 C ATOM 1224 NE ARG A 78 -5.765 -2.209 9.086 1.00 0.00 N ATOM 1225 CZ ARG A 78 -5.483 -1.498 10.172 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -5.507 -0.174 10.125 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -5.178 -2.112 11.308 1.00 0.00 N ATOM 0 H ARG A 78 -8.717 -3.575 5.056 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.477 -0.978 6.241 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.628 -2.765 4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.133 -1.198 5.231 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.268 -3.284 7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.583 -3.334 6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.277 -1.004 7.446 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.963 -0.949 7.921 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.740 -3.226 9.156 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.742 0.301 9.254 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.290 0.370 10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.160 -3.131 11.348 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.962 -1.565 12.141 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.564 -1.256 2.956 1.00 0.00 N ATOM 1242 CA ALA A 79 -8.745 -0.504 1.721 1.00 0.00 C ATOM 1243 C ALA A 79 -9.744 0.631 1.910 1.00 0.00 C ATOM 1244 O ALA A 79 -9.378 1.806 1.862 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.202 -1.430 0.603 1.00 0.00 C ATOM 0 H ALA A 79 -8.551 -2.269 2.835 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.785 -0.066 1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.334 -0.856 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.452 -2.204 0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.149 -1.894 0.879 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.006 0.275 2.126 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.058 1.266 2.322 1.00 0.00 C ATOM 1253 C GLU A 80 -11.622 2.329 3.326 1.00 0.00 C ATOM 1254 O GLU A 80 -11.766 3.527 3.078 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.343 0.590 2.802 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.155 -0.258 4.049 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.437 -0.939 4.490 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -15.028 -1.677 3.674 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -14.848 -0.733 5.651 1.00 0.00 O ATOM 0 H GLU A 80 -11.325 -0.693 2.170 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.249 1.752 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.093 1.355 3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.734 -0.038 2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.393 -1.014 3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.785 0.370 4.859 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.092 1.882 4.460 1.00 0.00 N ATOM 1267 CA ILE A 81 -10.636 2.795 5.501 1.00 0.00 C ATOM 1268 C ILE A 81 -9.658 3.822 4.942 1.00 0.00 C ATOM 1269 O ILE A 81 -9.665 4.986 5.346 1.00 0.00 O ATOM 1270 CB ILE A 81 -9.960 2.035 6.658 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -10.958 1.088 7.326 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.389 3.015 7.673 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.310 0.090 8.261 1.00 0.00 C ATOM 0 H ILE A 81 -10.968 0.894 4.681 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.520 3.308 5.881 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.140 1.442 6.254 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.687 1.676 7.883 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.507 0.548 6.554 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.915 2.463 8.485 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.650 3.653 7.187 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.193 3.632 8.075 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.077 -0.549 8.699 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.601 -0.523 7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.785 0.622 9.054 1.00 0.00 H new ATOM 1285 N LEU A 82 -8.819 3.385 4.009 1.00 0.00 N ATOM 1286 CA LEU A 82 -7.835 4.268 3.392 1.00 0.00 C ATOM 1287 C LEU A 82 -8.503 5.227 2.412 1.00 0.00 C ATOM 1288 O LEU A 82 -7.959 6.285 2.093 1.00 0.00 O ATOM 1289 CB LEU A 82 -6.766 3.446 2.669 1.00 0.00 C ATOM 1290 CG LEU A 82 -5.976 2.464 3.536 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.234 1.462 2.664 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -5.004 3.211 4.438 1.00 0.00 C ATOM 0 H LEU A 82 -8.800 2.426 3.663 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.363 4.854 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.247 2.886 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.062 4.134 2.200 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.678 1.918 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.677 0.771 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.950 0.904 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.542 1.992 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.451 2.496 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.306 3.783 3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.558 3.889 5.087 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.686 4.852 1.937 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.432 5.679 0.997 1.00 0.00 C ATOM 1306 C LYS A 83 -11.121 6.834 1.716 1.00 0.00 C ATOM 1307 O LYS A 83 -11.121 7.968 1.236 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.468 4.835 0.254 1.00 0.00 C ATOM 1309 CG LYS A 83 -10.877 3.626 -0.450 1.00 0.00 C ATOM 1310 CD LYS A 83 -11.815 3.088 -1.519 1.00 0.00 C ATOM 1311 CE LYS A 83 -12.762 2.041 -0.954 1.00 0.00 C ATOM 1312 NZ LYS A 83 -13.710 1.536 -1.985 1.00 0.00 N ATOM 0 H LYS A 83 -10.149 3.979 2.189 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.726 6.093 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.225 4.498 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.975 5.461 -0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.924 3.898 -0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.670 2.844 0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.391 3.909 -1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.232 2.653 -2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.185 1.208 -0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.323 2.469 -0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.338 0.824 -1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.279 2.326 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.176 1.104 -2.766 1.00 0.00 H new ATOM 1326 N LYS A 84 -11.709 6.540 2.871 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.400 7.553 3.659 1.00 0.00 C ATOM 1328 C LYS A 84 -11.557 8.819 3.777 1.00 0.00 C ATOM 1329 O LYS A 84 -12.069 9.930 3.645 1.00 0.00 O ATOM 1330 CB LYS A 84 -12.724 7.011 5.052 1.00 0.00 C ATOM 1331 CG LYS A 84 -13.245 8.069 6.010 1.00 0.00 C ATOM 1332 CD LYS A 84 -14.753 8.223 5.905 1.00 0.00 C ATOM 1333 CE LYS A 84 -15.479 7.222 6.791 1.00 0.00 C ATOM 1334 NZ LYS A 84 -15.679 5.915 6.105 1.00 0.00 N ATOM 0 H LYS A 84 -11.720 5.607 3.282 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.330 7.803 3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.466 6.218 4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.826 6.560 5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.976 7.800 7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.765 9.024 5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.037 9.236 6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.063 8.085 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.909 7.068 7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.446 7.630 7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.547 5.465 6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.765 6.070 5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.865 5.295 6.294 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.263 8.642 4.026 1.00 0.00 N ATOM 1349 CA GLU A 85 -9.351 9.771 4.162 1.00 0.00 C ATOM 1350 C GLU A 85 -9.026 10.375 2.799 1.00 0.00 C ATOM 1351 O GLU A 85 -8.955 11.594 2.649 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.060 9.331 4.858 1.00 0.00 C ATOM 1353 CG GLU A 85 -8.277 8.802 6.265 1.00 0.00 C ATOM 1354 CD GLU A 85 -7.082 8.029 6.789 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -5.945 8.523 6.640 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -7.285 6.931 7.347 1.00 0.00 O ATOM 0 H GLU A 85 -9.823 7.728 4.137 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.842 10.531 4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.579 8.558 4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.373 10.176 4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.487 9.636 6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.155 8.156 6.275 1.00 0.00 H new