USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 674 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 79 SER OG : rot 180:sc= 0.0377 USER MOD Set 1.2: A 83 ASN : amide:sc= -0.368 X(o=-0.33,f=-0.066) USER MOD Set 2.1: A 41 MET CE :methyl -154:sc= -0.219 (180deg=-1.12) USER MOD Set 2.2: A 116 CYS SG : rot 77:sc= 0.908 USER MOD Set 3.1: A 33 SER OG : rot 173:sc= -3.29! USER MOD Set 3.2: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -0.211 K(o=-0.21,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ -150:sc= 0.924 (180deg=0.133) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.39 F(o=-1.2,f=-0.39) USER MOD Single : A 57 SER OG : rot -25:sc= 0.0912 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= 0.807 (180deg=0.178) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 170:sc= -6.76! USER MOD Single : A 84 GLN :FLIP amide:sc= -6.58! C(o=-8.6!,f=-6.6!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -154:sc= -0.12 (180deg=-0.977) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -4.95! C(o=-4.9!,f=-5.1!) USER MOD Single : A 98 HIS : no HE2:sc= 0.369! C(o=0.37!,f=-9.3!) USER MOD Single : A 105 THR OG1 : rot -27:sc= 0.035 USER MOD Single : A 106 THR OG1 : rot 122:sc= 0.672 USER MOD Single : A 114 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.35) USER MOD Single : A 120 LYS NZ :NH3+ -163:sc= 0.895 (180deg=0.47) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 128 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 33 -0.162 -12.625 8.469 1.00 0.00 N ATOM 134 CA SER A 33 -0.494 -12.524 9.880 1.00 0.00 C ATOM 135 C SER A 33 -1.770 -13.291 10.181 1.00 0.00 C ATOM 136 O SER A 33 -1.825 -14.041 11.150 1.00 0.00 O ATOM 137 CB SER A 33 -0.663 -11.050 10.272 1.00 0.00 C ATOM 138 OG SER A 33 -1.785 -10.504 9.591 1.00 0.00 O ATOM 0 HA SER A 33 0.318 -12.959 10.462 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.801 -10.963 11.350 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.237 -10.490 10.019 1.00 0.00 H new ATOM 0 HG SER A 33 -1.962 -9.600 9.925 1.00 0.00 H new ATOM 144 N LEU A 34 -2.795 -13.084 9.353 1.00 0.00 N ATOM 145 CA LEU A 34 -4.089 -13.737 9.564 1.00 0.00 C ATOM 146 C LEU A 34 -3.889 -15.158 10.051 1.00 0.00 C ATOM 147 O LEU A 34 -4.598 -15.618 10.941 1.00 0.00 O ATOM 148 CB LEU A 34 -4.885 -13.735 8.263 1.00 0.00 C ATOM 149 CG LEU A 34 -6.226 -14.433 8.487 1.00 0.00 C ATOM 150 CD1 LEU A 34 -7.004 -13.716 9.595 1.00 0.00 C ATOM 151 CD2 LEU A 34 -7.039 -14.399 7.192 1.00 0.00 C ATOM 0 H LEU A 34 -2.756 -12.474 8.536 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.644 -13.186 10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.047 -12.712 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.324 -14.244 7.480 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.049 -15.467 8.782 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.959 -14.217 9.751 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.426 -13.740 10.519 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.181 -12.681 9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.996 -14.897 7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.212 -13.364 6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.489 -14.913 6.403 1.00 0.00 H new ATOM 163 N GLU A 35 -2.917 -15.841 9.471 1.00 0.00 N ATOM 164 CA GLU A 35 -2.628 -17.214 9.863 1.00 0.00 C ATOM 165 C GLU A 35 -2.119 -17.276 11.298 1.00 0.00 C ATOM 166 O GLU A 35 -2.540 -18.130 12.078 1.00 0.00 O ATOM 167 CB GLU A 35 -1.586 -17.815 8.916 1.00 0.00 C ATOM 168 CG GLU A 35 -1.069 -19.133 9.494 1.00 0.00 C ATOM 169 CD GLU A 35 -0.238 -19.873 8.453 1.00 0.00 C ATOM 170 OE1 GLU A 35 0.482 -20.782 8.832 1.00 0.00 O ATOM 171 OE2 GLU A 35 -0.338 -19.522 7.289 1.00 0.00 O ATOM 0 H GLU A 35 -2.317 -15.473 8.732 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.551 -17.790 9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.027 -17.985 7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.760 -17.118 8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.465 -18.938 10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.907 -19.754 9.809 1.00 0.00 H new ATOM 178 N GLU A 36 -1.210 -16.370 11.636 1.00 0.00 N ATOM 179 CA GLU A 36 -0.649 -16.334 12.979 1.00 0.00 C ATOM 180 C GLU A 36 -1.727 -15.994 14.000 1.00 0.00 C ATOM 181 O GLU A 36 -1.781 -16.581 15.080 1.00 0.00 O ATOM 182 CB GLU A 36 0.472 -15.292 13.048 1.00 0.00 C ATOM 183 CG GLU A 36 1.627 -15.722 12.139 1.00 0.00 C ATOM 184 CD GLU A 36 2.288 -16.980 12.694 1.00 0.00 C ATOM 185 OE1 GLU A 36 1.964 -17.353 13.809 1.00 0.00 O ATOM 186 OE2 GLU A 36 3.106 -17.554 11.994 1.00 0.00 O ATOM 0 H GLU A 36 -0.848 -15.656 11.004 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.244 -17.319 13.211 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.096 -14.317 12.739 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.823 -15.187 14.075 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.257 -15.910 11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.360 -14.919 12.064 1.00 0.00 H new ATOM 193 N LYS A 37 -2.581 -15.039 13.653 1.00 0.00 N ATOM 194 CA LYS A 37 -3.647 -14.616 14.558 1.00 0.00 C ATOM 195 C LYS A 37 -4.516 -15.811 14.944 1.00 0.00 C ATOM 196 O LYS A 37 -4.808 -16.023 16.120 1.00 0.00 O ATOM 197 CB LYS A 37 -4.522 -13.560 13.876 1.00 0.00 C ATOM 198 CG LYS A 37 -3.659 -12.678 12.984 1.00 0.00 C ATOM 199 CD LYS A 37 -4.479 -11.510 12.457 1.00 0.00 C ATOM 200 CE LYS A 37 -3.764 -10.861 11.269 1.00 0.00 C ATOM 201 NZ LYS A 37 -4.700 -9.934 10.567 1.00 0.00 N ATOM 0 H LYS A 37 -2.559 -14.546 12.761 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.194 -14.194 15.455 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.298 -14.044 13.284 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.027 -12.952 14.627 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.802 -12.307 13.546 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.266 -13.262 12.152 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.466 -11.857 12.152 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.629 -10.775 13.247 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.886 -10.315 11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.412 -11.629 10.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.213 -9.494 9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.525 -10.467 10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.015 -9.194 11.226 1.00 0.00 H new ATOM 215 N ILE A 38 -4.914 -16.598 13.949 1.00 0.00 N ATOM 216 CA ILE A 38 -5.740 -17.775 14.200 1.00 0.00 C ATOM 217 C ILE A 38 -4.982 -18.790 15.052 1.00 0.00 C ATOM 218 O ILE A 38 -5.536 -19.361 15.991 1.00 0.00 O ATOM 219 CB ILE A 38 -6.148 -18.419 12.875 1.00 0.00 C ATOM 220 CG1 ILE A 38 -6.845 -17.377 11.997 1.00 0.00 C ATOM 221 CG2 ILE A 38 -7.109 -19.578 13.143 1.00 0.00 C ATOM 222 CD1 ILE A 38 -6.803 -17.831 10.536 1.00 0.00 C ATOM 0 H ILE A 38 -4.680 -16.444 12.968 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.633 -17.461 14.740 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.260 -18.793 12.366 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.878 -17.247 12.319 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.354 -16.410 12.103 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.399 -20.036 12.197 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.617 -20.321 13.770 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.997 -19.204 13.652 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.299 -17.089 9.910 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.766 -17.939 10.218 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.314 -18.789 10.438 1.00 0.00 H new ATOM 234 N LYS A 39 -3.717 -19.011 14.715 1.00 0.00 N ATOM 235 CA LYS A 39 -2.894 -19.961 15.456 1.00 0.00 C ATOM 236 C LYS A 39 -2.767 -19.533 16.912 1.00 0.00 C ATOM 237 O LYS A 39 -2.799 -20.366 17.819 1.00 0.00 O ATOM 238 CB LYS A 39 -1.506 -20.047 14.823 1.00 0.00 C ATOM 239 CG LYS A 39 -1.598 -20.791 13.488 1.00 0.00 C ATOM 240 CD LYS A 39 -0.329 -20.544 12.668 1.00 0.00 C ATOM 241 CE LYS A 39 0.773 -21.502 13.109 1.00 0.00 C ATOM 242 NZ LYS A 39 1.883 -21.477 12.120 1.00 0.00 N ATOM 0 H LYS A 39 -3.241 -18.550 13.940 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.372 -20.940 15.418 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.103 -19.046 14.667 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.820 -20.565 15.494 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.726 -21.859 13.664 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.473 -20.453 12.932 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.539 -20.682 11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.001 -19.513 12.796 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.144 -21.217 14.094 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.375 -22.513 13.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.633 -22.131 12.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.525 -21.769 11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.269 -20.513 12.056 1.00 0.00 H new ATOM 256 N LEU A 40 -2.618 -18.229 17.131 1.00 0.00 N ATOM 257 CA LEU A 40 -2.489 -17.706 18.486 1.00 0.00 C ATOM 258 C LEU A 40 -3.792 -17.882 19.263 1.00 0.00 C ATOM 259 O LEU A 40 -3.792 -18.367 20.393 1.00 0.00 O ATOM 260 CB LEU A 40 -2.120 -16.221 18.437 1.00 0.00 C ATOM 261 CG LEU A 40 -2.013 -15.672 19.861 1.00 0.00 C ATOM 262 CD1 LEU A 40 -0.974 -16.478 20.645 1.00 0.00 C ATOM 263 CD2 LEU A 40 -1.585 -14.204 19.809 1.00 0.00 C ATOM 0 H LEU A 40 -2.584 -17.523 16.396 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.702 -18.263 18.994 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.173 -16.088 17.913 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.874 -15.667 17.878 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.982 -15.753 20.354 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.899 -16.086 21.659 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.278 -17.524 20.682 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.005 -16.399 20.153 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.508 -13.811 20.823 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.617 -14.125 19.315 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.325 -13.629 19.252 1.00 0.00 H new ATOM 275 N MET A 41 -4.899 -17.485 18.645 1.00 0.00 N ATOM 276 CA MET A 41 -6.205 -17.599 19.280 1.00 0.00 C ATOM 277 C MET A 41 -6.585 -19.065 19.455 1.00 0.00 C ATOM 278 O MET A 41 -7.297 -19.427 20.392 1.00 0.00 O ATOM 279 CB MET A 41 -7.261 -16.884 18.440 1.00 0.00 C ATOM 280 CG MET A 41 -7.131 -15.372 18.627 1.00 0.00 C ATOM 281 SD MET A 41 -7.536 -14.932 20.337 1.00 0.00 S ATOM 282 CE MET A 41 -9.320 -15.213 20.228 1.00 0.00 C ATOM 0 H MET A 41 -4.917 -17.083 17.708 1.00 0.00 H new ATOM 0 HA MET A 41 -6.155 -17.131 20.263 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.139 -17.142 17.388 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.258 -17.212 18.735 1.00 0.00 H new ATOM 0 HG2 MET A 41 -6.116 -15.052 18.389 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.798 -14.852 17.940 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.831 -14.596 20.967 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.670 -14.948 19.230 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.535 -16.264 20.421 1.00 0.00 H new ATOM 292 N ARG A 42 -6.110 -19.903 18.542 1.00 0.00 N ATOM 293 CA ARG A 42 -6.407 -21.328 18.604 1.00 0.00 C ATOM 294 C ARG A 42 -5.793 -21.953 19.850 1.00 0.00 C ATOM 295 O ARG A 42 -6.183 -23.047 20.262 1.00 0.00 O ATOM 296 CB ARG A 42 -5.868 -22.037 17.352 1.00 0.00 C ATOM 297 CG ARG A 42 -6.972 -22.142 16.298 1.00 0.00 C ATOM 298 CD ARG A 42 -6.562 -23.155 15.234 1.00 0.00 C ATOM 299 NE ARG A 42 -5.342 -22.722 14.557 1.00 0.00 N ATOM 300 CZ ARG A 42 -5.361 -22.306 13.295 1.00 0.00 C ATOM 301 NH1 ARG A 42 -4.255 -21.923 12.717 1.00 0.00 N ATOM 302 NH2 ARG A 42 -6.486 -22.279 12.634 1.00 0.00 N ATOM 0 H ARG A 42 -5.523 -19.624 17.756 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.489 -21.448 18.649 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.019 -21.486 16.948 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.507 -23.032 17.614 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.908 -22.448 16.765 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.147 -21.168 15.841 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.403 -24.130 15.694 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.366 -23.273 14.507 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.457 -22.739 15.064 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.376 -21.943 13.234 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.270 -21.604 11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.350 -22.577 13.086 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.501 -21.960 11.665 1.00 0.00 H new ATOM 316 N LEU A 43 -4.831 -21.256 20.440 1.00 0.00 N ATOM 317 CA LEU A 43 -4.173 -21.748 21.643 1.00 0.00 C ATOM 318 C LEU A 43 -4.823 -21.170 22.892 1.00 0.00 C ATOM 319 O LEU A 43 -4.955 -21.853 23.909 1.00 0.00 O ATOM 320 CB LEU A 43 -2.688 -21.378 21.614 1.00 0.00 C ATOM 321 CG LEU A 43 -1.915 -22.413 20.793 1.00 0.00 C ATOM 322 CD1 LEU A 43 -0.457 -21.975 20.666 1.00 0.00 C ATOM 323 CD2 LEU A 43 -1.979 -23.779 21.496 1.00 0.00 C ATOM 0 H LEU A 43 -4.491 -20.354 20.108 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.276 -22.833 21.670 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.559 -20.386 21.181 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.294 -21.337 22.629 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.359 -22.494 19.801 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.095 -22.711 20.081 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.410 -21.007 20.167 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.014 -21.894 21.658 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.428 -24.516 20.911 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.535 -23.699 22.488 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.019 -24.093 21.588 1.00 0.00 H new ATOM 335 N VAL A 44 -5.225 -19.908 22.810 1.00 0.00 N ATOM 336 CA VAL A 44 -5.861 -19.245 23.942 1.00 0.00 C ATOM 337 C VAL A 44 -7.174 -19.935 24.301 1.00 0.00 C ATOM 338 O VAL A 44 -7.448 -20.198 25.471 1.00 0.00 O ATOM 339 CB VAL A 44 -6.125 -17.775 23.604 1.00 0.00 C ATOM 340 CG1 VAL A 44 -7.146 -17.195 24.590 1.00 0.00 C ATOM 341 CG2 VAL A 44 -4.817 -16.986 23.706 1.00 0.00 C ATOM 0 H VAL A 44 -5.123 -19.326 21.978 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.190 -19.305 24.799 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.518 -17.703 22.590 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.332 -16.149 24.347 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.078 -17.755 24.520 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.754 -17.268 25.605 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.004 -15.939 23.466 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.425 -17.061 24.720 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.090 -17.395 23.005 1.00 0.00 H new ATOM 351 N VAL A 45 -7.981 -20.219 23.286 1.00 0.00 N ATOM 352 CA VAL A 45 -9.263 -20.876 23.500 1.00 0.00 C ATOM 353 C VAL A 45 -9.053 -22.283 24.050 1.00 0.00 C ATOM 354 O VAL A 45 -9.779 -22.728 24.939 1.00 0.00 O ATOM 355 CB VAL A 45 -10.047 -20.939 22.190 1.00 0.00 C ATOM 356 CG1 VAL A 45 -11.256 -21.859 22.363 1.00 0.00 C ATOM 357 CG2 VAL A 45 -10.529 -19.533 21.818 1.00 0.00 C ATOM 0 H VAL A 45 -7.771 -20.006 22.311 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.833 -20.297 24.227 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.404 -21.327 21.400 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.816 -21.904 21.429 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.916 -22.859 22.631 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.899 -21.470 23.153 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.089 -19.576 20.884 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.172 -19.148 22.609 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.669 -18.874 21.696 1.00 0.00 H new ATOM 367 N ARG A 46 -8.067 -22.983 23.501 1.00 0.00 N ATOM 368 CA ARG A 46 -7.775 -24.345 23.934 1.00 0.00 C ATOM 369 C ARG A 46 -7.273 -24.348 25.373 1.00 0.00 C ATOM 370 O ARG A 46 -7.214 -25.393 26.021 1.00 0.00 O ATOM 371 CB ARG A 46 -6.723 -24.972 23.017 1.00 0.00 C ATOM 372 CG ARG A 46 -6.503 -26.433 23.415 1.00 0.00 C ATOM 373 CD ARG A 46 -5.528 -27.088 22.438 1.00 0.00 C ATOM 374 NE ARG A 46 -5.432 -28.518 22.704 1.00 0.00 N ATOM 375 CZ ARG A 46 -4.438 -29.245 22.203 1.00 0.00 C ATOM 376 NH1 ARG A 46 -4.373 -30.524 22.456 1.00 0.00 N ATOM 377 NH2 ARG A 46 -3.527 -28.679 21.459 1.00 0.00 N ATOM 0 H ARG A 46 -7.460 -22.633 22.760 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.692 -24.931 23.880 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.049 -24.912 21.978 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.786 -24.419 23.090 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.109 -26.489 24.430 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.452 -26.969 23.411 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.863 -26.923 21.414 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.545 -26.627 22.530 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.139 -28.969 23.284 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.085 -30.966 23.038 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.610 -31.082 22.072 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.578 -27.679 21.262 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.764 -29.236 21.074 1.00 0.00 H new ATOM 391 N HIS A 47 -6.909 -23.171 25.871 1.00 0.00 N ATOM 392 CA HIS A 47 -6.411 -23.051 27.239 1.00 0.00 C ATOM 393 C HIS A 47 -7.159 -21.953 27.988 1.00 0.00 C ATOM 394 O HIS A 47 -6.609 -21.319 28.888 1.00 0.00 O ATOM 395 CB HIS A 47 -4.915 -22.735 27.222 1.00 0.00 C ATOM 396 CG HIS A 47 -4.166 -23.880 26.597 1.00 0.00 C ATOM 397 ND1 HIS A 47 -3.484 -23.751 25.398 1.00 0.00 N ATOM 398 CD2 HIS A 47 -3.984 -25.182 26.994 1.00 0.00 C ATOM 399 CE1 HIS A 47 -2.928 -24.944 25.117 1.00 0.00 C ATOM 400 NE2 HIS A 47 -3.202 -25.852 26.058 1.00 0.00 N ATOM 0 H HIS A 47 -6.948 -22.293 25.354 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.576 -23.999 27.751 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.733 -21.818 26.661 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.557 -22.564 28.237 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -3.416 -22.906 24.831 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.387 -25.619 27.896 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.333 -25.143 24.238 1.00 0.00 H new ATOM 407 N LYS A 48 -8.414 -21.735 27.612 1.00 0.00 N ATOM 408 CA LYS A 48 -9.228 -20.711 28.257 1.00 0.00 C ATOM 409 C LYS A 48 -9.598 -21.134 29.674 1.00 0.00 C ATOM 410 O LYS A 48 -9.791 -20.294 30.553 1.00 0.00 O ATOM 411 CB LYS A 48 -10.500 -20.465 27.444 1.00 0.00 C ATOM 412 CG LYS A 48 -11.346 -21.739 27.421 1.00 0.00 C ATOM 413 CD LYS A 48 -12.584 -21.515 26.552 1.00 0.00 C ATOM 414 CE LYS A 48 -13.424 -22.793 26.520 1.00 0.00 C ATOM 415 NZ LYS A 48 -14.627 -22.575 25.669 1.00 0.00 N ATOM 0 H LYS A 48 -8.888 -22.249 26.869 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.647 -19.790 28.307 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.070 -19.645 27.881 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.243 -20.168 26.427 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.760 -22.570 27.030 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.644 -22.008 28.434 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.175 -20.689 26.948 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.286 -21.238 25.541 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.832 -23.620 26.127 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.725 -23.068 27.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.409 -23.166 26.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.905 -21.574 25.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.408 -22.833 24.686 1.00 0.00 H new ATOM 429 N HIS A 49 -9.698 -22.442 29.888 1.00 0.00 N ATOM 430 CA HIS A 49 -10.044 -22.967 31.203 1.00 0.00 C ATOM 431 C HIS A 49 -8.925 -22.692 32.203 1.00 0.00 C ATOM 432 O HIS A 49 -9.180 -22.340 33.354 1.00 0.00 O ATOM 433 CB HIS A 49 -10.295 -24.473 31.116 1.00 0.00 C ATOM 434 CG HIS A 49 -11.611 -24.725 30.434 1.00 0.00 C ATOM 435 ND1 HIS A 49 -12.896 -24.794 30.915 1.00 0.00 N flip ATOM 436 CD2 HIS A 49 -11.707 -24.944 29.069 1.00 0.00 C flip ATOM 437 CE1 HIS A 49 -13.775 -25.052 29.867 1.00 0.00 C flip ATOM 438 NE2 HIS A 49 -13.006 -25.132 28.777 1.00 0.00 N flip ATOM 0 H HIS A 49 -9.545 -23.153 29.173 1.00 0.00 H new ATOM 0 HA HIS A 49 -10.951 -22.468 31.544 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.489 -24.955 30.563 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -10.302 -24.909 32.115 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -10.887 -24.961 28.367 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -14.848 -25.164 29.923 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -13.361 -25.314 27.838 1.00 0.00 H new ATOM 445 N GLU A 50 -7.685 -22.860 31.754 1.00 0.00 N ATOM 446 CA GLU A 50 -6.533 -22.632 32.618 1.00 0.00 C ATOM 447 C GLU A 50 -6.699 -21.336 33.401 1.00 0.00 C ATOM 448 O GLU A 50 -6.422 -20.251 32.892 1.00 0.00 O ATOM 449 CB GLU A 50 -5.255 -22.564 31.781 1.00 0.00 C ATOM 450 CG GLU A 50 -4.952 -23.945 31.197 1.00 0.00 C ATOM 451 CD GLU A 50 -3.717 -23.874 30.306 1.00 0.00 C ATOM 452 OE1 GLU A 50 -3.186 -22.787 30.148 1.00 0.00 O ATOM 453 OE2 GLU A 50 -3.319 -24.908 29.795 1.00 0.00 O ATOM 0 H GLU A 50 -7.453 -23.151 30.804 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.462 -23.462 33.321 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.372 -21.836 30.978 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.422 -22.228 32.398 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.789 -24.662 32.002 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.806 -24.301 30.621 1.00 0.00 H new ATOM 567 N SER A 57 -0.586 -13.205 35.071 1.00 0.00 N ATOM 568 CA SER A 57 0.335 -13.360 33.951 1.00 0.00 C ATOM 569 C SER A 57 0.625 -14.833 33.684 1.00 0.00 C ATOM 570 O SER A 57 0.904 -15.223 32.551 1.00 0.00 O ATOM 571 CB SER A 57 1.647 -12.635 34.249 1.00 0.00 C ATOM 572 OG SER A 57 2.224 -13.176 35.430 1.00 0.00 O ATOM 0 HA SER A 57 -0.133 -12.928 33.067 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.335 -12.745 33.411 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.466 -11.568 34.375 1.00 0.00 H new ATOM 0 HG SER A 57 1.521 -13.573 35.986 1.00 0.00 H new ATOM 578 N GLU A 58 0.564 -15.646 34.730 1.00 0.00 N ATOM 579 CA GLU A 58 0.833 -17.071 34.585 1.00 0.00 C ATOM 580 C GLU A 58 0.129 -17.635 33.355 1.00 0.00 C ATOM 581 O GLU A 58 0.572 -18.630 32.779 1.00 0.00 O ATOM 582 CB GLU A 58 0.370 -17.823 35.831 1.00 0.00 C ATOM 583 CG GLU A 58 0.664 -19.314 35.668 1.00 0.00 C ATOM 584 CD GLU A 58 0.435 -20.037 36.988 1.00 0.00 C ATOM 585 OE1 GLU A 58 -0.046 -19.402 37.912 1.00 0.00 O ATOM 586 OE2 GLU A 58 0.745 -21.215 37.057 1.00 0.00 O ATOM 0 H GLU A 58 0.333 -15.348 35.678 1.00 0.00 H new ATOM 0 HA GLU A 58 1.908 -17.202 34.462 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.880 -17.436 36.713 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.698 -17.667 35.987 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.022 -19.737 34.896 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.694 -19.456 35.340 1.00 0.00 H new ATOM 593 N PHE A 59 -0.965 -16.996 32.959 1.00 0.00 N ATOM 594 CA PHE A 59 -1.719 -17.445 31.795 1.00 0.00 C ATOM 595 C PHE A 59 -1.043 -16.988 30.506 1.00 0.00 C ATOM 596 O PHE A 59 -0.540 -17.804 29.735 1.00 0.00 O ATOM 597 CB PHE A 59 -3.144 -16.890 31.853 1.00 0.00 C ATOM 598 CG PHE A 59 -3.863 -17.218 30.568 1.00 0.00 C ATOM 599 CD1 PHE A 59 -4.033 -18.553 30.183 1.00 0.00 C ATOM 600 CD2 PHE A 59 -4.362 -16.188 29.762 1.00 0.00 C ATOM 601 CE1 PHE A 59 -4.702 -18.859 28.992 1.00 0.00 C ATOM 602 CE2 PHE A 59 -5.031 -16.493 28.570 1.00 0.00 C ATOM 603 CZ PHE A 59 -5.201 -17.829 28.185 1.00 0.00 C ATOM 0 H PHE A 59 -1.348 -16.172 33.422 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.752 -18.534 31.805 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.678 -17.318 32.701 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.120 -15.811 32.004 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.648 -19.347 30.805 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.231 -15.158 30.059 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.833 -19.889 28.696 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.416 -15.698 27.948 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.717 -18.065 27.266 1.00 0.00 H new ATOM 613 N TYR A 60 -1.036 -15.679 30.281 1.00 0.00 N ATOM 614 CA TYR A 60 -0.426 -15.124 29.080 1.00 0.00 C ATOM 615 C TYR A 60 1.037 -15.550 28.981 1.00 0.00 C ATOM 616 O TYR A 60 1.584 -15.681 27.887 1.00 0.00 O ATOM 617 CB TYR A 60 -0.514 -13.599 29.115 1.00 0.00 C ATOM 618 CG TYR A 60 -1.943 -13.176 29.337 1.00 0.00 C ATOM 619 CD1 TYR A 60 -2.390 -12.892 30.633 1.00 0.00 C ATOM 620 CD2 TYR A 60 -2.823 -13.071 28.254 1.00 0.00 C ATOM 621 CE1 TYR A 60 -3.718 -12.502 30.845 1.00 0.00 C ATOM 622 CE2 TYR A 60 -4.150 -12.681 28.465 1.00 0.00 C ATOM 623 CZ TYR A 60 -4.598 -12.396 29.761 1.00 0.00 C ATOM 624 OH TYR A 60 -5.906 -12.011 29.969 1.00 0.00 O ATOM 0 H TYR A 60 -1.443 -14.987 30.910 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.962 -15.500 28.209 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.119 -13.207 29.911 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.143 -13.182 28.179 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.711 -12.974 31.469 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.478 -13.291 27.255 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.064 -12.283 31.845 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.829 -12.600 27.629 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.380 -11.987 29.112 1.00 0.00 H new ATOM 634 N ALA A 61 1.665 -15.764 30.133 1.00 0.00 N ATOM 635 CA ALA A 61 3.063 -16.178 30.166 1.00 0.00 C ATOM 636 C ALA A 61 3.217 -17.596 29.622 1.00 0.00 C ATOM 637 O ALA A 61 4.305 -17.999 29.211 1.00 0.00 O ATOM 638 CB ALA A 61 3.594 -16.117 31.599 1.00 0.00 C ATOM 0 H ALA A 61 1.231 -15.658 31.050 1.00 0.00 H new ATOM 0 HA ALA A 61 3.638 -15.497 29.538 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.639 -16.428 31.613 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.514 -15.097 31.974 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.008 -16.783 32.233 1.00 0.00 H new ATOM 644 N LYS A 62 2.122 -18.349 29.630 1.00 0.00 N ATOM 645 CA LYS A 62 2.146 -19.720 29.136 1.00 0.00 C ATOM 646 C LYS A 62 1.785 -19.763 27.656 1.00 0.00 C ATOM 647 O LYS A 62 2.315 -20.578 26.900 1.00 0.00 O ATOM 648 CB LYS A 62 1.163 -20.580 29.933 1.00 0.00 C ATOM 649 CG LYS A 62 1.248 -22.031 29.454 1.00 0.00 C ATOM 650 CD LYS A 62 0.296 -22.898 30.281 1.00 0.00 C ATOM 651 CE LYS A 62 0.393 -24.351 29.813 1.00 0.00 C ATOM 652 NZ LYS A 62 -0.524 -25.198 30.628 1.00 0.00 N ATOM 0 H LYS A 62 1.213 -18.036 29.971 1.00 0.00 H new ATOM 0 HA LYS A 62 3.154 -20.114 29.261 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.394 -20.523 30.997 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.148 -20.203 29.806 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.987 -22.092 28.397 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.270 -22.398 29.552 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.549 -22.828 31.339 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.727 -22.538 30.174 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.130 -24.423 28.758 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.418 -24.708 29.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.239 -26.195 30.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.476 -24.903 31.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.498 -25.088 30.281 1.00 0.00 H new ATOM 666 N ILE A 63 0.871 -18.887 27.249 1.00 0.00 N ATOM 667 CA ILE A 63 0.441 -18.844 25.856 1.00 0.00 C ATOM 668 C ILE A 63 1.605 -18.482 24.944 1.00 0.00 C ATOM 669 O ILE A 63 1.835 -19.136 23.927 1.00 0.00 O ATOM 670 CB ILE A 63 -0.673 -17.805 25.690 1.00 0.00 C ATOM 671 CG1 ILE A 63 -1.897 -18.235 26.504 1.00 0.00 C ATOM 672 CG2 ILE A 63 -1.058 -17.698 24.213 1.00 0.00 C ATOM 673 CD1 ILE A 63 -2.372 -19.617 26.041 1.00 0.00 C ATOM 0 H ILE A 63 0.418 -18.204 27.857 1.00 0.00 H new ATOM 0 HA ILE A 63 0.071 -19.831 25.580 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.320 -16.837 26.045 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.648 -18.263 27.565 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.699 -17.506 26.384 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.850 -16.959 24.096 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.188 -17.393 23.631 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.410 -18.666 23.858 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.243 -19.917 26.624 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.639 -19.575 24.985 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.572 -20.343 26.184 1.00 0.00 H new ATOM 685 N ALA A 64 2.346 -17.447 25.321 1.00 0.00 N ATOM 686 CA ALA A 64 3.493 -17.015 24.528 1.00 0.00 C ATOM 687 C ALA A 64 4.592 -18.072 24.555 1.00 0.00 C ATOM 688 O ALA A 64 5.512 -18.042 23.737 1.00 0.00 O ATOM 689 CB ALA A 64 4.035 -15.692 25.073 1.00 0.00 C ATOM 0 H ALA A 64 2.177 -16.895 26.162 1.00 0.00 H new ATOM 0 HA ALA A 64 3.168 -16.875 23.497 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.891 -15.376 24.476 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.256 -14.931 25.022 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.345 -15.825 26.110 1.00 0.00 H new ATOM 695 N ARG A 65 4.497 -18.991 25.507 1.00 0.00 N ATOM 696 CA ARG A 65 5.492 -20.049 25.634 1.00 0.00 C ATOM 697 C ARG A 65 5.189 -21.188 24.667 1.00 0.00 C ATOM 698 O ARG A 65 6.080 -21.689 23.982 1.00 0.00 O ATOM 699 CB ARG A 65 5.510 -20.579 27.067 1.00 0.00 C ATOM 700 CG ARG A 65 6.617 -21.626 27.210 1.00 0.00 C ATOM 701 CD ARG A 65 6.618 -22.177 28.637 1.00 0.00 C ATOM 702 NE ARG A 65 7.021 -21.139 29.579 1.00 0.00 N ATOM 703 CZ ARG A 65 7.076 -21.381 30.884 1.00 0.00 C ATOM 704 NH1 ARG A 65 7.440 -20.435 31.708 1.00 0.00 N ATOM 705 NH2 ARG A 65 6.768 -22.563 31.343 1.00 0.00 N ATOM 0 H ARG A 65 3.747 -19.026 26.198 1.00 0.00 H new ATOM 0 HA ARG A 65 6.470 -19.635 25.390 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.677 -19.760 27.767 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.544 -21.019 27.315 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.461 -22.435 26.497 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.585 -21.181 26.980 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.624 -22.544 28.893 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.299 -23.025 28.706 1.00 0.00 H new ATOM 0 HE ARG A 65 7.265 -20.212 29.230 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.682 -19.511 31.349 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.482 -20.620 32.710 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.485 -23.302 30.700 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.811 -22.748 32.345 1.00 0.00 H new ATOM 719 N ILE A 66 3.924 -21.595 24.620 1.00 0.00 N ATOM 720 CA ILE A 66 3.511 -22.677 23.735 1.00 0.00 C ATOM 721 C ILE A 66 3.265 -22.151 22.326 1.00 0.00 C ATOM 722 O ILE A 66 3.250 -22.913 21.365 1.00 0.00 O ATOM 723 CB ILE A 66 2.239 -23.336 24.271 1.00 0.00 C ATOM 724 CG1 ILE A 66 2.545 -24.022 25.604 1.00 0.00 C ATOM 725 CG2 ILE A 66 1.739 -24.375 23.266 1.00 0.00 C ATOM 726 CD1 ILE A 66 1.235 -24.446 26.272 1.00 0.00 C ATOM 0 H ILE A 66 3.172 -21.194 25.181 1.00 0.00 H new ATOM 0 HA ILE A 66 4.311 -23.417 23.698 1.00 0.00 H new ATOM 0 HB ILE A 66 1.471 -22.577 24.419 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.180 -24.892 25.440 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.095 -23.344 26.256 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.833 -24.844 23.648 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.522 -23.887 22.316 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.506 -25.135 23.117 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.452 -24.935 27.222 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.616 -23.567 26.450 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.702 -25.139 25.621 1.00 0.00 H new ATOM 738 N GLY A 67 3.065 -20.844 22.212 1.00 0.00 N ATOM 739 CA GLY A 67 2.814 -20.228 20.914 1.00 0.00 C ATOM 740 C GLY A 67 4.110 -20.079 20.127 1.00 0.00 C ATOM 741 O GLY A 67 4.098 -19.858 18.922 1.00 0.00 O ATOM 0 H GLY A 67 3.071 -20.193 22.997 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.108 -20.836 20.348 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.353 -19.250 21.053 1.00 0.00 H new ATOM 745 N TYR A 68 5.235 -20.193 20.819 1.00 0.00 N ATOM 746 CA TYR A 68 6.537 -20.068 20.170 1.00 0.00 C ATOM 747 C TYR A 68 7.282 -21.398 20.207 1.00 0.00 C ATOM 748 O TYR A 68 8.349 -21.539 19.607 1.00 0.00 O ATOM 749 CB TYR A 68 7.369 -18.989 20.868 1.00 0.00 C ATOM 750 CG TYR A 68 8.814 -19.112 20.445 1.00 0.00 C ATOM 751 CD1 TYR A 68 9.149 -19.113 19.086 1.00 0.00 C ATOM 752 CD2 TYR A 68 9.819 -19.227 21.414 1.00 0.00 C ATOM 753 CE1 TYR A 68 10.488 -19.229 18.695 1.00 0.00 C ATOM 754 CE2 TYR A 68 11.158 -19.343 21.023 1.00 0.00 C ATOM 755 CZ TYR A 68 11.493 -19.344 19.663 1.00 0.00 C ATOM 756 OH TYR A 68 12.812 -19.460 19.278 1.00 0.00 O ATOM 0 H TYR A 68 5.275 -20.371 21.823 1.00 0.00 H new ATOM 0 HA TYR A 68 6.379 -19.783 19.130 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.988 -18.000 20.614 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.286 -19.094 21.950 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.374 -19.024 18.339 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.561 -19.226 22.463 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.746 -19.230 17.646 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.933 -19.432 21.770 1.00 0.00 H new ATOM 0 HH TYR A 68 13.380 -19.529 20.074 1.00 0.00 H new ATOM 766 N GLU A 69 6.721 -22.367 20.921 1.00 0.00 N ATOM 767 CA GLU A 69 7.346 -23.681 21.034 1.00 0.00 C ATOM 768 C GLU A 69 6.543 -24.722 20.265 1.00 0.00 C ATOM 769 O GLU A 69 6.862 -25.910 20.294 1.00 0.00 O ATOM 770 CB GLU A 69 7.442 -24.089 22.505 1.00 0.00 C ATOM 771 CG GLU A 69 8.444 -23.183 23.223 1.00 0.00 C ATOM 772 CD GLU A 69 8.481 -23.521 24.709 1.00 0.00 C ATOM 773 OE1 GLU A 69 7.767 -24.426 25.108 1.00 0.00 O ATOM 774 OE2 GLU A 69 9.222 -22.869 25.427 1.00 0.00 O ATOM 0 H GLU A 69 5.841 -22.270 21.427 1.00 0.00 H new ATOM 0 HA GLU A 69 8.348 -23.625 20.608 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.463 -24.013 22.979 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.755 -25.130 22.585 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.436 -23.308 22.788 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.165 -22.138 23.086 1.00 0.00 H new ATOM 781 N ASP A 70 5.499 -24.269 19.578 1.00 0.00 N ATOM 782 CA ASP A 70 4.655 -25.172 18.802 1.00 0.00 C ATOM 783 C ASP A 70 4.190 -24.500 17.516 1.00 0.00 C ATOM 784 O ASP A 70 4.244 -25.094 16.439 1.00 0.00 O ATOM 785 CB ASP A 70 3.439 -25.593 19.631 1.00 0.00 C ATOM 786 CG ASP A 70 3.859 -26.578 20.717 1.00 0.00 C ATOM 787 OD1 ASP A 70 4.943 -27.125 20.603 1.00 0.00 O ATOM 788 OD2 ASP A 70 3.092 -26.770 21.646 1.00 0.00 O ATOM 0 H ASP A 70 5.218 -23.289 19.542 1.00 0.00 H new ATOM 0 HA ASP A 70 5.241 -26.054 18.544 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.977 -24.716 20.084 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.690 -26.050 18.985 1.00 0.00 H new ATOM 793 N GLU A 71 3.731 -23.258 17.635 1.00 0.00 N ATOM 794 CA GLU A 71 3.255 -22.516 16.474 1.00 0.00 C ATOM 795 C GLU A 71 4.417 -21.828 15.767 1.00 0.00 C ATOM 796 O GLU A 71 4.326 -21.488 14.587 1.00 0.00 O ATOM 797 CB GLU A 71 2.228 -21.470 16.910 1.00 0.00 C ATOM 798 CG GLU A 71 1.045 -22.160 17.588 1.00 0.00 C ATOM 799 CD GLU A 71 0.287 -23.025 16.587 1.00 0.00 C ATOM 800 OE1 GLU A 71 0.596 -22.932 15.410 1.00 0.00 O ATOM 801 OE2 GLU A 71 -0.591 -23.763 17.005 1.00 0.00 O ATOM 0 H GLU A 71 3.679 -22.748 18.517 1.00 0.00 H new ATOM 0 HA GLU A 71 2.788 -23.217 15.782 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.688 -20.759 17.596 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.884 -20.902 16.046 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.400 -22.776 18.414 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.375 -21.413 18.013 1.00 0.00 H new ATOM 808 N GLY A 72 5.510 -21.629 16.495 1.00 0.00 N ATOM 809 CA GLY A 72 6.685 -20.983 15.925 1.00 0.00 C ATOM 810 C GLY A 72 6.401 -19.526 15.583 1.00 0.00 C ATOM 811 O GLY A 72 6.269 -19.166 14.414 1.00 0.00 O ATOM 0 H GLY A 72 5.607 -21.903 17.473 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.513 -21.039 16.632 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.997 -21.516 15.027 1.00 0.00 H new ATOM 893 N GLU A 78 5.534 -11.609 28.004 1.00 0.00 N ATOM 894 CA GLU A 78 4.332 -11.529 28.826 1.00 0.00 C ATOM 895 C GLU A 78 3.500 -10.310 28.444 1.00 0.00 C ATOM 896 O GLU A 78 2.334 -10.439 28.071 1.00 0.00 O ATOM 897 CB GLU A 78 4.717 -11.451 30.306 1.00 0.00 C ATOM 898 CG GLU A 78 5.677 -10.279 30.523 1.00 0.00 C ATOM 899 CD GLU A 78 6.469 -10.486 31.807 1.00 0.00 C ATOM 900 OE1 GLU A 78 6.840 -11.617 32.075 1.00 0.00 O ATOM 901 OE2 GLU A 78 6.695 -9.511 32.504 1.00 0.00 O ATOM 0 HA GLU A 78 3.735 -12.425 28.654 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.825 -11.322 30.918 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.187 -12.383 30.620 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.358 -10.194 29.676 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.118 -9.345 30.578 1.00 0.00 H new ATOM 908 N SER A 79 4.103 -9.132 28.530 1.00 0.00 N ATOM 909 CA SER A 79 3.396 -7.905 28.188 1.00 0.00 C ATOM 910 C SER A 79 2.831 -7.991 26.774 1.00 0.00 C ATOM 911 O SER A 79 1.641 -7.764 26.558 1.00 0.00 O ATOM 912 CB SER A 79 4.355 -6.717 28.273 1.00 0.00 C ATOM 913 OG SER A 79 3.776 -5.598 27.616 1.00 0.00 O ATOM 0 H SER A 79 5.069 -9.000 28.830 1.00 0.00 H new ATOM 0 HA SER A 79 2.575 -7.770 28.892 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.561 -6.475 29.316 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.309 -6.971 27.811 1.00 0.00 H new ATOM 0 HG SER A 79 4.388 -4.834 27.670 1.00 0.00 H new ATOM 919 N ALA A 80 3.684 -8.339 25.816 1.00 0.00 N ATOM 920 CA ALA A 80 3.249 -8.458 24.428 1.00 0.00 C ATOM 921 C ALA A 80 2.104 -9.461 24.310 1.00 0.00 C ATOM 922 O ALA A 80 1.274 -9.365 23.407 1.00 0.00 O ATOM 923 CB ALA A 80 4.424 -8.906 23.551 1.00 0.00 C ATOM 0 H ALA A 80 4.671 -8.542 25.972 1.00 0.00 H new ATOM 0 HA ALA A 80 2.896 -7.484 24.089 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.093 -8.993 22.516 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.227 -8.171 23.615 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.789 -9.873 23.898 1.00 0.00 H new ATOM 929 N CYS A 81 2.072 -10.424 25.223 1.00 0.00 N ATOM 930 CA CYS A 81 1.029 -11.442 25.208 1.00 0.00 C ATOM 931 C CYS A 81 -0.303 -10.846 25.649 1.00 0.00 C ATOM 932 O CYS A 81 -1.349 -11.485 25.536 1.00 0.00 O ATOM 933 CB CYS A 81 1.411 -12.586 26.140 1.00 0.00 C ATOM 934 SG CYS A 81 3.141 -13.003 25.894 1.00 0.00 S ATOM 0 H CYS A 81 2.751 -10.521 25.978 1.00 0.00 H new ATOM 0 HA CYS A 81 0.926 -11.820 24.191 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.239 -12.298 27.177 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.784 -13.456 25.942 1.00 0.00 H new ATOM 0 HG CYS A 81 3.526 -13.823 26.826 1.00 0.00 H new ATOM 940 N ARG A 82 -0.257 -9.619 26.157 1.00 0.00 N ATOM 941 CA ARG A 82 -1.467 -8.943 26.613 1.00 0.00 C ATOM 942 C ARG A 82 -1.882 -7.865 25.627 1.00 0.00 C ATOM 943 O ARG A 82 -3.040 -7.487 25.585 1.00 0.00 O ATOM 944 CB ARG A 82 -1.231 -8.316 27.989 1.00 0.00 C ATOM 945 CG ARG A 82 -1.157 -9.419 29.047 1.00 0.00 C ATOM 946 CD ARG A 82 -0.891 -8.794 30.417 1.00 0.00 C ATOM 947 NE ARG A 82 -0.885 -9.824 31.449 1.00 0.00 N ATOM 948 CZ ARG A 82 -0.963 -9.507 32.738 1.00 0.00 C ATOM 949 NH1 ARG A 82 -0.957 -10.447 33.643 1.00 0.00 N ATOM 950 NH2 ARG A 82 -1.045 -8.255 33.098 1.00 0.00 N ATOM 0 H ARG A 82 0.599 -9.075 26.263 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.266 -9.681 26.683 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.306 -7.740 27.984 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.037 -7.622 28.227 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.090 -9.982 29.067 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.365 -10.125 28.797 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.067 -8.273 30.407 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -1.656 -8.050 30.640 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.820 -10.805 31.177 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.892 -11.425 33.362 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.017 -10.203 34.632 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.049 -7.520 32.391 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.105 -8.012 34.087 1.00 0.00 H new ATOM 964 N ASN A 83 -0.923 -7.373 24.847 1.00 0.00 N ATOM 965 CA ASN A 83 -1.201 -6.335 23.862 1.00 0.00 C ATOM 966 C ASN A 83 -1.688 -6.952 22.555 1.00 0.00 C ATOM 967 O ASN A 83 -2.669 -6.498 21.967 1.00 0.00 O ATOM 968 CB ASN A 83 0.058 -5.511 23.605 1.00 0.00 C ATOM 969 CG ASN A 83 0.612 -4.985 24.928 1.00 0.00 C ATOM 970 OD1 ASN A 83 -0.123 -4.400 25.723 1.00 0.00 O ATOM 971 ND2 ASN A 83 1.874 -5.161 25.210 1.00 0.00 N ATOM 0 H ASN A 83 0.050 -7.676 24.879 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.984 -5.686 24.255 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.808 -6.123 23.104 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.171 -4.679 22.939 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.253 -4.813 26.091 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.481 -5.646 24.550 1.00 0.00 H new ATOM 978 N GLN A 84 -0.990 -7.988 22.102 1.00 0.00 N ATOM 979 CA GLN A 84 -1.358 -8.656 20.859 1.00 0.00 C ATOM 980 C GLN A 84 -2.784 -9.178 20.925 1.00 0.00 C ATOM 981 O GLN A 84 -3.638 -8.765 20.142 1.00 0.00 O ATOM 982 CB GLN A 84 -0.398 -9.822 20.595 1.00 0.00 C ATOM 983 CG GLN A 84 0.873 -9.309 19.895 1.00 0.00 C ATOM 984 CD GLN A 84 2.051 -9.332 20.860 1.00 0.00 C ATOM 985 OE1 GLN A 84 2.703 -8.229 21.105 1.00 0.00 O flip ATOM 986 NE2 GLN A 84 2.388 -10.383 21.407 1.00 0.00 N flip ATOM 0 H GLN A 84 -0.174 -8.380 22.572 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.291 -7.932 20.047 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.135 -10.307 21.535 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.887 -10.573 19.975 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.093 -9.929 19.026 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.712 -8.294 19.531 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.877 -11.245 21.215 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.178 -10.392 22.052 1.00 0.00 H new ATOM 995 N ILE A 85 -3.035 -10.077 21.866 1.00 0.00 N ATOM 996 CA ILE A 85 -4.366 -10.649 22.025 1.00 0.00 C ATOM 997 C ILE A 85 -5.396 -9.543 22.213 1.00 0.00 C ATOM 998 O ILE A 85 -6.503 -9.621 21.681 1.00 0.00 O ATOM 999 CB ILE A 85 -4.392 -11.584 23.235 1.00 0.00 C ATOM 1000 CG1 ILE A 85 -3.540 -12.821 22.941 1.00 0.00 C ATOM 1001 CG2 ILE A 85 -5.833 -12.014 23.518 1.00 0.00 C ATOM 1002 CD1 ILE A 85 -3.340 -13.621 24.229 1.00 0.00 C ATOM 0 H ILE A 85 -2.340 -10.425 22.527 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.611 -11.215 21.126 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.991 -11.063 24.105 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.027 -13.440 22.188 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.575 -12.522 22.532 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.851 -12.680 24.380 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.441 -11.134 23.727 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.235 -12.535 22.649 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.733 -14.502 24.020 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.835 -13.000 24.968 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.309 -13.932 24.618 1.00 0.00 H new ATOM 1014 N ILE A 86 -5.031 -8.517 22.968 1.00 0.00 N ATOM 1015 CA ILE A 86 -5.942 -7.406 23.207 1.00 0.00 C ATOM 1016 C ILE A 86 -6.274 -6.699 21.895 1.00 0.00 C ATOM 1017 O ILE A 86 -7.417 -6.346 21.646 1.00 0.00 O ATOM 1018 CB ILE A 86 -5.301 -6.406 24.195 1.00 0.00 C ATOM 1019 CG1 ILE A 86 -5.836 -6.662 25.611 1.00 0.00 C ATOM 1020 CG2 ILE A 86 -5.625 -4.962 23.777 1.00 0.00 C ATOM 1021 CD1 ILE A 86 -5.536 -5.447 26.496 1.00 0.00 C ATOM 0 H ILE A 86 -4.121 -8.430 23.421 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.865 -7.796 23.637 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.220 -6.545 24.183 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.910 -6.846 25.578 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.373 -7.555 26.031 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.167 -4.268 24.482 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.232 -4.776 22.777 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.705 -4.817 23.775 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.915 -5.627 27.502 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.459 -5.284 26.538 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.020 -4.564 26.078 1.00 0.00 H new ATOM 1033 N SER A 87 -5.254 -6.452 21.086 1.00 0.00 N ATOM 1034 CA SER A 87 -5.451 -5.750 19.824 1.00 0.00 C ATOM 1035 C SER A 87 -6.444 -6.507 18.954 1.00 0.00 C ATOM 1036 O SER A 87 -7.347 -5.914 18.365 1.00 0.00 O ATOM 1037 CB SER A 87 -4.119 -5.627 19.087 1.00 0.00 C ATOM 1038 OG SER A 87 -4.319 -4.920 17.870 1.00 0.00 O ATOM 0 H SER A 87 -4.290 -6.724 21.277 1.00 0.00 H new ATOM 0 HA SER A 87 -5.844 -4.755 20.033 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.393 -5.104 19.709 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.710 -6.617 18.883 1.00 0.00 H new ATOM 0 HG SER A 87 -3.466 -4.838 17.395 1.00 0.00 H new ATOM 1044 N ILE A 88 -6.280 -7.825 18.888 1.00 0.00 N ATOM 1045 CA ILE A 88 -7.173 -8.656 18.091 1.00 0.00 C ATOM 1046 C ILE A 88 -8.620 -8.448 18.525 1.00 0.00 C ATOM 1047 O ILE A 88 -9.535 -8.603 17.743 1.00 0.00 O ATOM 1048 CB ILE A 88 -6.802 -10.129 18.250 1.00 0.00 C ATOM 1049 CG1 ILE A 88 -5.431 -10.381 17.619 1.00 0.00 C ATOM 1050 CG2 ILE A 88 -7.850 -11.002 17.557 1.00 0.00 C ATOM 1051 CD1 ILE A 88 -4.947 -11.784 17.988 1.00 0.00 C ATOM 0 H ILE A 88 -5.543 -8.336 19.373 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.069 -8.368 17.045 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.767 -10.380 19.310 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.494 -10.280 16.535 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.716 -9.635 17.967 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.582 -12.052 17.672 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.827 -10.825 18.007 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.889 -10.752 16.497 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.970 -11.962 17.538 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.868 -11.868 19.072 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.657 -12.523 17.618 1.00 0.00 H new ATOM 1063 N MET A 89 -8.820 -8.118 19.790 1.00 0.00 N ATOM 1064 CA MET A 89 -10.169 -7.898 20.306 1.00 0.00 C ATOM 1065 C MET A 89 -10.775 -6.630 19.710 1.00 0.00 C ATOM 1066 O MET A 89 -11.876 -6.656 19.160 1.00 0.00 O ATOM 1067 CB MET A 89 -10.126 -7.769 21.830 1.00 0.00 C ATOM 1068 CG MET A 89 -9.681 -9.097 22.443 1.00 0.00 C ATOM 1069 SD MET A 89 -10.912 -10.372 22.077 1.00 0.00 S ATOM 1070 CE MET A 89 -12.205 -9.761 23.186 1.00 0.00 C ATOM 0 H MET A 89 -8.076 -7.996 20.477 1.00 0.00 H new ATOM 0 HA MET A 89 -10.787 -8.750 20.025 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.438 -6.975 22.119 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.110 -7.493 22.210 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.710 -9.388 22.042 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.562 -8.990 23.521 1.00 0.00 H new ATOM 0 HE1 MET A 89 -12.850 -10.588 23.483 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.747 -9.322 24.072 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.798 -9.004 22.672 1.00 0.00 H new ATOM 1080 N ARG A 90 -10.043 -5.525 19.810 1.00 0.00 N ATOM 1081 CA ARG A 90 -10.522 -4.253 19.281 1.00 0.00 C ATOM 1082 C ARG A 90 -11.019 -4.428 17.850 1.00 0.00 C ATOM 1083 O ARG A 90 -12.052 -3.880 17.474 1.00 0.00 O ATOM 1084 CB ARG A 90 -9.391 -3.221 19.305 1.00 0.00 C ATOM 1085 CG ARG A 90 -9.926 -1.866 18.838 1.00 0.00 C ATOM 1086 CD ARG A 90 -8.800 -0.831 18.877 1.00 0.00 C ATOM 1087 NE ARG A 90 -7.757 -1.184 17.921 1.00 0.00 N ATOM 1088 CZ ARG A 90 -7.817 -0.778 16.657 1.00 0.00 C ATOM 1089 NH1 ARG A 90 -6.871 -1.107 15.820 1.00 0.00 N ATOM 1090 NH2 ARG A 90 -8.822 -0.051 16.252 1.00 0.00 N ATOM 0 H ARG A 90 -9.123 -5.484 20.249 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.346 -3.905 19.904 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.984 -3.135 20.312 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.576 -3.544 18.658 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.323 -1.949 17.826 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.749 -1.548 19.478 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.197 0.157 18.645 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.380 -0.778 19.881 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.968 -1.752 18.228 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.086 -1.676 16.136 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.917 -0.795 14.850 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.562 0.206 16.906 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.868 0.261 15.282 1.00 0.00 H new ATOM 1104 N VAL A 91 -10.284 -5.196 17.059 1.00 0.00 N ATOM 1105 CA VAL A 91 -10.671 -5.438 15.672 1.00 0.00 C ATOM 1106 C VAL A 91 -11.931 -6.299 15.602 1.00 0.00 C ATOM 1107 O VAL A 91 -12.792 -6.082 14.757 1.00 0.00 O ATOM 1108 CB VAL A 91 -9.521 -6.132 14.932 1.00 0.00 C ATOM 1109 CG1 VAL A 91 -8.191 -5.463 15.323 1.00 0.00 C ATOM 1110 CG2 VAL A 91 -9.486 -7.619 15.304 1.00 0.00 C ATOM 0 H VAL A 91 -9.423 -5.660 17.348 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.885 -4.480 15.197 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.671 -6.041 13.856 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.370 -5.953 14.800 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.219 -4.409 15.048 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.041 -5.553 16.399 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.667 -8.107 14.775 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.337 -7.722 16.379 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.429 -8.087 15.023 1.00 0.00 H new ATOM 1120 N TYR A 92 -12.018 -7.285 16.491 1.00 0.00 N ATOM 1121 CA TYR A 92 -13.159 -8.180 16.522 1.00 0.00 C ATOM 1122 C TYR A 92 -14.421 -7.406 16.856 1.00 0.00 C ATOM 1123 O TYR A 92 -15.465 -7.641 16.270 1.00 0.00 O ATOM 1124 CB TYR A 92 -12.935 -9.287 17.554 1.00 0.00 C ATOM 1125 CG TYR A 92 -14.189 -10.119 17.677 1.00 0.00 C ATOM 1126 CD1 TYR A 92 -14.520 -11.042 16.677 1.00 0.00 C ATOM 1127 CD2 TYR A 92 -15.022 -9.967 18.792 1.00 0.00 C ATOM 1128 CE1 TYR A 92 -15.683 -11.813 16.793 1.00 0.00 C ATOM 1129 CE2 TYR A 92 -16.185 -10.738 18.907 1.00 0.00 C ATOM 1130 CZ TYR A 92 -16.516 -11.660 17.908 1.00 0.00 C ATOM 1131 OH TYR A 92 -17.662 -12.420 18.021 1.00 0.00 O ATOM 0 H TYR A 92 -11.309 -7.480 17.198 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.273 -8.635 15.538 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -12.097 -9.915 17.253 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.678 -8.852 18.520 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -13.878 -11.159 15.816 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -14.767 -9.255 19.563 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.938 -12.526 16.022 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -16.827 -10.621 19.767 1.00 0.00 H new ATOM 0 HH TYR A 92 -18.125 -12.191 18.854 1.00 0.00 H new ATOM 1141 N GLU A 93 -14.313 -6.486 17.808 1.00 0.00 N ATOM 1142 CA GLU A 93 -15.456 -5.680 18.217 1.00 0.00 C ATOM 1143 C GLU A 93 -15.794 -4.643 17.151 1.00 0.00 C ATOM 1144 O GLU A 93 -16.963 -4.338 16.914 1.00 0.00 O ATOM 1145 CB GLU A 93 -15.156 -4.980 19.542 1.00 0.00 C ATOM 1146 CG GLU A 93 -14.988 -6.026 20.646 1.00 0.00 C ATOM 1147 CD GLU A 93 -16.297 -6.780 20.855 1.00 0.00 C ATOM 1148 OE1 GLU A 93 -17.324 -6.269 20.442 1.00 0.00 O ATOM 1149 OE2 GLU A 93 -16.252 -7.858 21.426 1.00 0.00 O ATOM 0 H GLU A 93 -13.449 -6.281 18.309 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.314 -6.341 18.344 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.249 -4.382 19.452 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.966 -4.295 19.795 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.195 -6.725 20.379 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.686 -5.541 21.574 1.00 0.00 H new ATOM 1156 N GLN A 94 -14.760 -4.098 16.516 1.00 0.00 N ATOM 1157 CA GLN A 94 -14.959 -3.092 15.477 1.00 0.00 C ATOM 1158 C GLN A 94 -15.683 -3.690 14.277 1.00 0.00 C ATOM 1159 O GLN A 94 -16.714 -3.178 13.844 1.00 0.00 O ATOM 1160 CB GLN A 94 -13.608 -2.529 15.032 1.00 0.00 C ATOM 1161 CG GLN A 94 -13.126 -1.490 16.046 1.00 0.00 C ATOM 1162 CD GLN A 94 -11.719 -1.024 15.685 1.00 0.00 C ATOM 1163 OE1 GLN A 94 -10.872 -1.837 15.313 1.00 0.00 O ATOM 1164 NE2 GLN A 94 -11.417 0.242 15.775 1.00 0.00 N ATOM 0 H GLN A 94 -13.785 -4.333 16.700 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.571 -2.290 15.889 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -12.878 -3.334 14.946 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -13.699 -2.074 14.046 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -13.808 -0.639 16.060 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -13.130 -1.918 17.048 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -12.120 0.913 16.083 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.478 0.560 15.537 1.00 0.00 H new ATOM 1173 N ARG A 95 -15.140 -4.781 13.748 1.00 0.00 N ATOM 1174 CA ARG A 95 -15.743 -5.442 12.597 1.00 0.00 C ATOM 1175 C ARG A 95 -17.047 -6.128 12.996 1.00 0.00 C ATOM 1176 O ARG A 95 -17.805 -6.584 12.141 1.00 0.00 O ATOM 1177 CB ARG A 95 -14.775 -6.476 12.021 1.00 0.00 C ATOM 1178 CG ARG A 95 -13.567 -5.763 11.411 1.00 0.00 C ATOM 1179 CD ARG A 95 -12.555 -6.799 10.921 1.00 0.00 C ATOM 1180 NE ARG A 95 -13.136 -7.605 9.853 1.00 0.00 N ATOM 1181 CZ ARG A 95 -13.074 -7.213 8.585 1.00 0.00 C ATOM 1182 NH1 ARG A 95 -13.601 -7.951 7.647 1.00 0.00 N ATOM 1183 NH2 ARG A 95 -12.487 -6.089 8.277 1.00 0.00 N ATOM 0 H ARG A 95 -14.289 -5.224 14.095 1.00 0.00 H new ATOM 0 HA ARG A 95 -15.959 -4.688 11.840 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -14.449 -7.160 12.805 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -15.277 -7.076 11.262 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -13.885 -5.130 10.582 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -13.105 -5.110 12.151 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -11.656 -6.298 10.561 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.252 -7.442 11.748 1.00 0.00 H new ATOM 0 HE ARG A 95 -13.598 -8.485 10.084 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -14.061 -8.829 7.887 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.553 -7.650 6.674 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.076 -5.511 9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.440 -5.788 7.303 1.00 0.00 H new ATOM 1197 N LEU A 96 -17.298 -6.195 14.298 1.00 0.00 N ATOM 1198 CA LEU A 96 -18.517 -6.816 14.802 1.00 0.00 C ATOM 1199 C LEU A 96 -19.696 -5.854 14.706 1.00 0.00 C ATOM 1200 O LEU A 96 -20.829 -6.267 14.458 1.00 0.00 O ATOM 1201 CB LEU A 96 -18.324 -7.256 16.253 1.00 0.00 C ATOM 1202 CG LEU A 96 -19.640 -7.792 16.810 1.00 0.00 C ATOM 1203 CD1 LEU A 96 -20.151 -8.923 15.916 1.00 0.00 C ATOM 1204 CD2 LEU A 96 -19.412 -8.326 18.225 1.00 0.00 C ATOM 0 H LEU A 96 -16.678 -5.829 15.020 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.732 -7.690 14.187 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.554 -8.026 16.310 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.979 -6.415 16.855 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.377 -6.989 16.836 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.091 -9.305 16.314 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.312 -8.544 14.907 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.415 -9.726 15.889 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.351 -8.709 18.625 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.675 -9.129 18.197 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.048 -7.521 18.863 1.00 0.00 H new ATOM 1216 N ALA A 97 -19.423 -4.573 14.922 1.00 0.00 N ATOM 1217 CA ALA A 97 -20.471 -3.561 14.871 1.00 0.00 C ATOM 1218 C ALA A 97 -20.723 -3.127 13.432 1.00 0.00 C ATOM 1219 O ALA A 97 -21.829 -2.715 13.083 1.00 0.00 O ATOM 1220 CB ALA A 97 -20.064 -2.345 15.707 1.00 0.00 C ATOM 0 H ALA A 97 -18.492 -4.212 15.133 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.387 -3.991 15.277 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -20.852 -1.593 15.664 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -19.910 -2.650 16.742 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -19.140 -1.924 15.311 1.00 0.00 H new ATOM 1226 N HIS A 98 -19.691 -3.222 12.601 1.00 0.00 N ATOM 1227 CA HIS A 98 -19.813 -2.833 11.201 1.00 0.00 C ATOM 1228 C HIS A 98 -20.658 -3.843 10.433 1.00 0.00 C ATOM 1229 O HIS A 98 -20.377 -5.041 10.447 1.00 0.00 O ATOM 1230 CB HIS A 98 -18.425 -2.738 10.563 1.00 0.00 C ATOM 1231 CG HIS A 98 -17.728 -1.501 11.059 1.00 0.00 C ATOM 1232 ND1 HIS A 98 -17.113 -1.445 12.300 1.00 0.00 N ATOM 1233 CD2 HIS A 98 -17.541 -0.264 10.493 1.00 0.00 C ATOM 1234 CE1 HIS A 98 -16.589 -0.214 12.439 1.00 0.00 C ATOM 1235 NE2 HIS A 98 -16.822 0.547 11.366 1.00 0.00 N ATOM 0 H HIS A 98 -18.768 -3.562 12.869 1.00 0.00 H new ATOM 0 HA HIS A 98 -20.302 -1.860 11.157 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -17.838 -3.623 10.810 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -18.514 -2.708 9.477 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -17.066 -2.200 12.984 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -17.898 0.034 9.518 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -16.046 0.119 13.311 1.00 0.00 H new ATOM 1343 N THR A 105 -17.624 -12.922 2.674 1.00 0.00 N ATOM 1344 CA THR A 105 -17.170 -13.696 3.823 1.00 0.00 C ATOM 1345 C THR A 105 -16.113 -14.712 3.402 1.00 0.00 C ATOM 1346 O THR A 105 -15.951 -14.999 2.216 1.00 0.00 O ATOM 1347 CB THR A 105 -18.352 -14.426 4.463 1.00 0.00 C ATOM 1348 OG1 THR A 105 -18.869 -15.381 3.546 1.00 0.00 O ATOM 1349 CG2 THR A 105 -19.444 -13.416 4.820 1.00 0.00 C ATOM 0 HA THR A 105 -16.731 -13.009 4.547 1.00 0.00 H new ATOM 0 HB THR A 105 -18.020 -14.934 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 105 -18.688 -15.085 2.629 1.00 0.00 H new ATOM 0 HG21 THR A 105 -20.286 -13.937 5.276 1.00 0.00 H new ATOM 0 HG22 THR A 105 -19.047 -12.684 5.523 1.00 0.00 H new ATOM 0 HG23 THR A 105 -19.779 -12.907 3.916 1.00 0.00 H new ATOM 1357 N THR A 106 -15.395 -15.252 4.381 1.00 0.00 N ATOM 1358 CA THR A 106 -14.352 -16.234 4.099 1.00 0.00 C ATOM 1359 C THR A 106 -14.229 -17.226 5.253 1.00 0.00 C ATOM 1360 O THR A 106 -14.733 -16.982 6.348 1.00 0.00 O ATOM 1361 CB THR A 106 -13.007 -15.526 3.881 1.00 0.00 C ATOM 1362 OG1 THR A 106 -12.059 -16.011 4.821 1.00 0.00 O ATOM 1363 CG2 THR A 106 -13.184 -14.017 4.067 1.00 0.00 C ATOM 0 H THR A 106 -15.514 -15.029 5.369 1.00 0.00 H new ATOM 0 HA THR A 106 -14.624 -16.777 3.194 1.00 0.00 H new ATOM 0 HB THR A 106 -12.653 -15.726 2.870 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.286 -16.380 4.345 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.228 -13.517 3.912 1.00 0.00 H new ATOM 0 HG22 THR A 106 -13.910 -13.644 3.345 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.540 -13.814 5.077 1.00 0.00 H new ATOM 1371 N PRO A 107 -13.575 -18.332 5.025 1.00 0.00 N ATOM 1372 CA PRO A 107 -13.390 -19.380 6.067 1.00 0.00 C ATOM 1373 C PRO A 107 -12.402 -18.950 7.148 1.00 0.00 C ATOM 1374 O PRO A 107 -12.589 -19.248 8.327 1.00 0.00 O ATOM 1375 CB PRO A 107 -12.857 -20.582 5.284 1.00 0.00 C ATOM 1376 CG PRO A 107 -12.215 -20.012 4.062 1.00 0.00 C ATOM 1377 CD PRO A 107 -12.933 -18.699 3.752 1.00 0.00 C ATOM 0 HA PRO A 107 -14.316 -19.592 6.601 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.138 -21.148 5.876 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.663 -21.267 5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.152 -19.840 4.229 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.298 -20.704 3.224 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -12.234 -17.931 3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -13.668 -18.824 2.957 1.00 0.00 H new ATOM 1385 N GLU A 108 -11.351 -18.248 6.735 1.00 0.00 N ATOM 1386 CA GLU A 108 -10.340 -17.784 7.678 1.00 0.00 C ATOM 1387 C GLU A 108 -10.918 -16.725 8.609 1.00 0.00 C ATOM 1388 O GLU A 108 -10.774 -16.811 9.828 1.00 0.00 O ATOM 1389 CB GLU A 108 -9.146 -17.200 6.918 1.00 0.00 C ATOM 1390 CG GLU A 108 -8.448 -18.309 6.125 1.00 0.00 C ATOM 1391 CD GLU A 108 -9.107 -18.469 4.760 1.00 0.00 C ATOM 1392 OE1 GLU A 108 -10.108 -17.811 4.526 1.00 0.00 O ATOM 1393 OE2 GLU A 108 -8.603 -19.248 3.968 1.00 0.00 O ATOM 0 H GLU A 108 -11.178 -17.990 5.763 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.012 -18.635 8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.482 -16.413 6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.446 -16.743 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.392 -18.070 6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.500 -19.248 6.675 1.00 0.00 H new ATOM 1400 N GLU A 109 -11.578 -15.730 8.026 1.00 0.00 N ATOM 1401 CA GLU A 109 -12.176 -14.659 8.813 1.00 0.00 C ATOM 1402 C GLU A 109 -13.271 -15.211 9.719 1.00 0.00 C ATOM 1403 O GLU A 109 -13.480 -14.718 10.828 1.00 0.00 O ATOM 1404 CB GLU A 109 -12.765 -13.594 7.886 1.00 0.00 C ATOM 1405 CG GLU A 109 -13.324 -12.440 8.722 1.00 0.00 C ATOM 1406 CD GLU A 109 -13.876 -11.353 7.806 1.00 0.00 C ATOM 1407 OE1 GLU A 109 -14.598 -10.502 8.299 1.00 0.00 O ATOM 1408 OE2 GLU A 109 -13.570 -11.388 6.626 1.00 0.00 O ATOM 0 H GLU A 109 -11.712 -15.643 7.019 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.399 -14.210 9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.998 -13.225 7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.554 -14.028 7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -14.111 -12.806 9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.541 -12.028 9.358 1.00 0.00 H new ATOM 1415 N ASP A 110 -13.970 -16.234 9.238 1.00 0.00 N ATOM 1416 CA ASP A 110 -15.041 -16.845 10.016 1.00 0.00 C ATOM 1417 C ASP A 110 -14.481 -17.534 11.256 1.00 0.00 C ATOM 1418 O ASP A 110 -14.996 -17.359 12.360 1.00 0.00 O ATOM 1419 CB ASP A 110 -15.793 -17.867 9.156 1.00 0.00 C ATOM 1420 CG ASP A 110 -16.867 -17.167 8.322 1.00 0.00 C ATOM 1421 OD1 ASP A 110 -17.053 -15.977 8.516 1.00 0.00 O ATOM 1422 OD2 ASP A 110 -17.485 -17.830 7.506 1.00 0.00 O ATOM 0 H ASP A 110 -13.816 -16.654 8.321 1.00 0.00 H new ATOM 0 HA ASP A 110 -15.727 -16.060 10.332 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -15.094 -18.386 8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -16.252 -18.622 9.794 1.00 0.00 H new ATOM 1427 N GLU A 111 -13.423 -18.316 11.066 1.00 0.00 N ATOM 1428 CA GLU A 111 -12.805 -19.029 12.177 1.00 0.00 C ATOM 1429 C GLU A 111 -12.341 -18.050 13.250 1.00 0.00 C ATOM 1430 O GLU A 111 -12.670 -18.202 14.426 1.00 0.00 O ATOM 1431 CB GLU A 111 -11.606 -19.837 11.675 1.00 0.00 C ATOM 1432 CG GLU A 111 -11.002 -20.629 12.836 1.00 0.00 C ATOM 1433 CD GLU A 111 -9.830 -21.469 12.340 1.00 0.00 C ATOM 1434 OE1 GLU A 111 -9.395 -21.243 11.223 1.00 0.00 O ATOM 1435 OE2 GLU A 111 -9.383 -22.326 13.085 1.00 0.00 O ATOM 0 H GLU A 111 -12.979 -18.471 10.161 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.546 -19.702 12.608 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.918 -20.516 10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.857 -19.170 11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.666 -19.947 13.617 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.760 -21.274 13.280 1.00 0.00 H new ATOM 1442 N LEU A 112 -11.584 -17.040 12.835 1.00 0.00 N ATOM 1443 CA LEU A 112 -11.082 -16.045 13.774 1.00 0.00 C ATOM 1444 C LEU A 112 -12.229 -15.448 14.582 1.00 0.00 C ATOM 1445 O LEU A 112 -12.121 -15.279 15.797 1.00 0.00 O ATOM 1446 CB LEU A 112 -10.364 -14.927 13.011 1.00 0.00 C ATOM 1447 CG LEU A 112 -9.869 -13.867 13.998 1.00 0.00 C ATOM 1448 CD1 LEU A 112 -8.944 -14.519 15.029 1.00 0.00 C ATOM 1449 CD2 LEU A 112 -9.102 -12.782 13.239 1.00 0.00 C ATOM 0 H LEU A 112 -11.307 -16.890 11.865 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.384 -16.532 14.455 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.524 -15.337 12.451 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.041 -14.475 12.286 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.722 -13.420 14.508 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.592 -13.763 15.731 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.490 -15.292 15.571 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.090 -14.967 14.520 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.749 -12.027 13.941 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.249 -13.229 12.728 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.761 -12.316 12.506 1.00 0.00 H new ATOM 1461 N ASP A 113 -13.327 -15.135 13.904 1.00 0.00 N ATOM 1462 CA ASP A 113 -14.486 -14.559 14.575 1.00 0.00 C ATOM 1463 C ASP A 113 -15.006 -15.508 15.651 1.00 0.00 C ATOM 1464 O ASP A 113 -15.315 -15.086 16.766 1.00 0.00 O ATOM 1465 CB ASP A 113 -15.596 -14.286 13.553 1.00 0.00 C ATOM 1466 CG ASP A 113 -15.378 -12.927 12.890 1.00 0.00 C ATOM 1467 OD1 ASP A 113 -14.469 -12.228 13.307 1.00 0.00 O ATOM 1468 OD2 ASP A 113 -16.121 -12.607 11.976 1.00 0.00 O ATOM 0 H ASP A 113 -13.439 -15.269 12.899 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.185 -13.623 15.046 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.605 -15.071 12.797 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -16.568 -14.307 14.046 1.00 0.00 H new ATOM 1473 N GLN A 114 -15.098 -16.790 15.311 1.00 0.00 N ATOM 1474 CA GLN A 114 -15.581 -17.786 16.260 1.00 0.00 C ATOM 1475 C GLN A 114 -14.655 -17.871 17.468 1.00 0.00 C ATOM 1476 O GLN A 114 -15.109 -17.880 18.611 1.00 0.00 O ATOM 1477 CB GLN A 114 -15.660 -19.156 15.581 1.00 0.00 C ATOM 1478 CG GLN A 114 -16.728 -19.124 14.486 1.00 0.00 C ATOM 1479 CD GLN A 114 -18.101 -18.888 15.105 1.00 0.00 C ATOM 1480 OE1 GLN A 114 -18.503 -19.608 16.020 1.00 0.00 O ATOM 1481 NE2 GLN A 114 -18.850 -17.917 14.659 1.00 0.00 N ATOM 0 H GLN A 114 -14.847 -17.161 14.394 1.00 0.00 H new ATOM 0 HA GLN A 114 -16.573 -17.487 16.598 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.693 -19.417 15.152 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -15.901 -19.924 16.316 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.502 -18.334 13.769 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -16.725 -20.065 13.936 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -18.516 -17.322 13.901 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -19.770 -17.753 15.068 1.00 0.00 H new ATOM 1490 N LEU A 115 -13.353 -17.927 17.207 1.00 0.00 N ATOM 1491 CA LEU A 115 -12.375 -18.017 18.283 1.00 0.00 C ATOM 1492 C LEU A 115 -12.498 -16.815 19.213 1.00 0.00 C ATOM 1493 O LEU A 115 -12.439 -16.957 20.435 1.00 0.00 O ATOM 1494 CB LEU A 115 -10.963 -18.058 17.695 1.00 0.00 C ATOM 1495 CG LEU A 115 -10.771 -19.356 16.910 1.00 0.00 C ATOM 1496 CD1 LEU A 115 -9.424 -19.322 16.183 1.00 0.00 C ATOM 1497 CD2 LEU A 115 -10.801 -20.548 17.872 1.00 0.00 C ATOM 0 H LEU A 115 -12.954 -17.912 16.268 1.00 0.00 H new ATOM 0 HA LEU A 115 -12.564 -18.928 18.851 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.805 -17.200 17.042 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.224 -17.991 18.493 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.575 -19.458 16.181 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.289 -20.248 15.624 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.403 -18.477 15.495 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.620 -19.217 16.911 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.664 -21.472 17.311 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.999 -20.446 18.603 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.761 -20.576 18.387 1.00 0.00 H new ATOM 1509 N CYS A 116 -12.680 -15.635 18.631 1.00 0.00 N ATOM 1510 CA CYS A 116 -12.819 -14.418 19.423 1.00 0.00 C ATOM 1511 C CYS A 116 -14.070 -14.485 20.294 1.00 0.00 C ATOM 1512 O CYS A 116 -14.052 -14.078 21.456 1.00 0.00 O ATOM 1513 CB CYS A 116 -12.905 -13.202 18.499 1.00 0.00 C ATOM 1514 SG CYS A 116 -11.333 -12.996 17.626 1.00 0.00 S ATOM 0 H CYS A 116 -12.734 -15.495 17.622 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.945 -14.325 20.068 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -13.717 -13.332 17.783 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -13.132 -12.307 19.078 1.00 0.00 H new ATOM 0 HG CYS A 116 -11.252 -13.869 16.666 1.00 0.00 H new ATOM 1520 N ASP A 117 -15.155 -15.003 19.725 1.00 0.00 N ATOM 1521 CA ASP A 117 -16.408 -15.118 20.461 1.00 0.00 C ATOM 1522 C ASP A 117 -16.232 -16.023 21.677 1.00 0.00 C ATOM 1523 O ASP A 117 -16.679 -15.695 22.776 1.00 0.00 O ATOM 1524 CB ASP A 117 -17.497 -15.690 19.551 1.00 0.00 C ATOM 1525 CG ASP A 117 -18.810 -15.805 20.317 1.00 0.00 C ATOM 1526 OD1 ASP A 117 -18.798 -15.568 21.514 1.00 0.00 O ATOM 1527 OD2 ASP A 117 -19.809 -16.130 19.696 1.00 0.00 O ATOM 0 H ASP A 117 -15.191 -15.347 18.765 1.00 0.00 H new ATOM 0 HA ASP A 117 -16.702 -14.125 20.800 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -17.629 -15.047 18.681 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -17.195 -16.670 19.181 1.00 0.00 H new ATOM 1532 N GLU A 118 -15.579 -17.162 21.471 1.00 0.00 N ATOM 1533 CA GLU A 118 -15.355 -18.108 22.559 1.00 0.00 C ATOM 1534 C GLU A 118 -14.495 -17.473 23.647 1.00 0.00 C ATOM 1535 O GLU A 118 -14.802 -17.580 24.834 1.00 0.00 O ATOM 1536 CB GLU A 118 -14.661 -19.362 22.022 1.00 0.00 C ATOM 1537 CG GLU A 118 -14.663 -20.446 23.102 1.00 0.00 C ATOM 1538 CD GLU A 118 -14.211 -21.774 22.508 1.00 0.00 C ATOM 1539 OE1 GLU A 118 -14.195 -21.880 21.292 1.00 0.00 O ATOM 1540 OE2 GLU A 118 -13.889 -22.667 23.275 1.00 0.00 O ATOM 0 H GLU A 118 -15.199 -17.451 20.570 1.00 0.00 H new ATOM 0 HA GLU A 118 -16.319 -18.382 22.987 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -15.174 -19.721 21.130 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -13.638 -19.127 21.729 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.000 -20.159 23.918 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.663 -20.548 23.524 1.00 0.00 H new ATOM 1547 N TRP A 119 -13.420 -16.809 23.234 1.00 0.00 N ATOM 1548 CA TRP A 119 -12.525 -16.156 24.182 1.00 0.00 C ATOM 1549 C TRP A 119 -13.248 -15.027 24.911 1.00 0.00 C ATOM 1550 O TRP A 119 -13.066 -14.833 26.112 1.00 0.00 O ATOM 1551 CB TRP A 119 -11.304 -15.598 23.451 1.00 0.00 C ATOM 1552 CG TRP A 119 -10.491 -14.774 24.396 1.00 0.00 C ATOM 1553 CD1 TRP A 119 -10.302 -13.438 24.297 1.00 0.00 C ATOM 1554 CD2 TRP A 119 -9.756 -15.205 25.578 1.00 0.00 C ATOM 1555 NE1 TRP A 119 -9.497 -13.022 25.343 1.00 0.00 N ATOM 1556 CE2 TRP A 119 -9.135 -14.075 26.159 1.00 0.00 C ATOM 1557 CE3 TRP A 119 -9.569 -16.455 26.195 1.00 0.00 C ATOM 1558 CZ2 TRP A 119 -8.356 -14.180 27.313 1.00 0.00 C ATOM 1559 CZ3 TRP A 119 -8.786 -16.565 27.356 1.00 0.00 C ATOM 1560 CH2 TRP A 119 -8.181 -15.430 27.913 1.00 0.00 C ATOM 0 H TRP A 119 -13.149 -16.709 22.256 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.200 -16.895 24.914 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -10.701 -16.414 23.052 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.621 -14.991 22.603 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -10.712 -12.801 23.528 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -9.207 -12.056 25.493 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -10.030 -17.336 25.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -7.892 -13.302 27.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -8.649 -17.530 27.822 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -7.580 -15.521 28.806 1.00 0.00 H new ATOM 1571 N LYS A 120 -14.068 -14.286 24.174 1.00 0.00 N ATOM 1572 CA LYS A 120 -14.814 -13.177 24.757 1.00 0.00 C ATOM 1573 C LYS A 120 -15.764 -13.685 25.836 1.00 0.00 C ATOM 1574 O LYS A 120 -15.963 -13.030 26.860 1.00 0.00 O ATOM 1575 CB LYS A 120 -15.610 -12.452 23.671 1.00 0.00 C ATOM 1576 CG LYS A 120 -16.288 -11.219 24.271 1.00 0.00 C ATOM 1577 CD LYS A 120 -17.039 -10.463 23.173 1.00 0.00 C ATOM 1578 CE LYS A 120 -17.704 -9.222 23.770 1.00 0.00 C ATOM 1579 NZ LYS A 120 -18.422 -8.478 22.696 1.00 0.00 N ATOM 0 H LYS A 120 -14.232 -14.432 23.178 1.00 0.00 H new ATOM 0 HA LYS A 120 -14.105 -12.482 25.208 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -14.948 -12.156 22.857 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -16.358 -13.121 23.246 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -16.979 -11.518 25.059 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -15.543 -10.569 24.730 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -16.350 -10.173 22.380 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.791 -11.110 22.721 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -18.402 -9.512 24.555 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -16.953 -8.581 24.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -18.625 -7.511 23.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -17.828 -8.440 21.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -19.315 -8.963 22.475 1.00 0.00 H new ATOM 1593 N ALA A 121 -16.351 -14.853 25.599 1.00 0.00 N ATOM 1594 CA ALA A 121 -17.280 -15.438 26.560 1.00 0.00 C ATOM 1595 C ALA A 121 -16.559 -15.792 27.856 1.00 0.00 C ATOM 1596 O ALA A 121 -17.060 -15.529 28.949 1.00 0.00 O ATOM 1597 CB ALA A 121 -17.917 -16.697 25.968 1.00 0.00 C ATOM 0 H ALA A 121 -16.202 -15.410 24.757 1.00 0.00 H new ATOM 0 HA ALA A 121 -18.057 -14.705 26.779 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -18.609 -17.129 26.691 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -18.458 -16.438 25.058 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -17.138 -17.423 25.733 1.00 0.00 H new ATOM 1603 N ARG A 122 -15.378 -16.388 27.726 1.00 0.00 N ATOM 1604 CA ARG A 122 -14.599 -16.776 28.894 1.00 0.00 C ATOM 1605 C ARG A 122 -14.264 -15.550 29.739 1.00 0.00 C ATOM 1606 O ARG A 122 -14.348 -15.590 30.967 1.00 0.00 O ATOM 1607 CB ARG A 122 -13.304 -17.466 28.455 1.00 0.00 C ATOM 1608 CG ARG A 122 -12.556 -17.990 29.685 1.00 0.00 C ATOM 1609 CD ARG A 122 -13.084 -19.379 30.048 1.00 0.00 C ATOM 1610 NE ARG A 122 -12.453 -19.852 31.274 1.00 0.00 N ATOM 1611 CZ ARG A 122 -12.928 -20.907 31.928 1.00 0.00 C ATOM 1612 NH1 ARG A 122 -12.346 -21.312 33.023 1.00 0.00 N ATOM 1613 NH2 ARG A 122 -13.977 -21.537 31.475 1.00 0.00 N ATOM 0 H ARG A 122 -14.943 -16.611 26.831 1.00 0.00 H new ATOM 0 HA ARG A 122 -15.192 -17.468 29.492 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -13.531 -18.289 27.777 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -12.675 -16.765 27.906 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -11.486 -18.038 29.481 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -12.690 -17.307 30.524 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -14.166 -19.343 30.178 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -12.884 -20.076 29.235 1.00 0.00 H new ATOM 0 HE ARG A 122 -11.633 -19.365 31.636 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -11.526 -20.819 33.377 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -12.711 -22.122 33.525 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -14.432 -21.220 30.619 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -14.342 -22.347 31.977 1.00 0.00 H new ATOM 1627 N LEU A 123 -13.882 -14.467 29.075 1.00 0.00 N ATOM 1628 CA LEU A 123 -13.537 -13.237 29.775 1.00 0.00 C ATOM 1629 C LEU A 123 -14.743 -12.700 30.535 1.00 0.00 C ATOM 1630 O LEU A 123 -14.614 -12.210 31.655 1.00 0.00 O ATOM 1631 CB LEU A 123 -13.047 -12.186 28.778 1.00 0.00 C ATOM 1632 CG LEU A 123 -11.684 -12.605 28.220 1.00 0.00 C ATOM 1633 CD1 LEU A 123 -11.272 -11.645 27.101 1.00 0.00 C ATOM 1634 CD2 LEU A 123 -10.637 -12.565 29.341 1.00 0.00 C ATOM 0 H LEU A 123 -13.804 -14.415 28.059 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.741 -13.457 30.487 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -13.766 -12.077 27.966 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -12.968 -11.215 29.267 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.751 -13.618 27.822 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -10.302 -11.944 26.704 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -12.015 -11.675 26.304 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.206 -10.632 27.497 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.667 -12.863 28.944 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -10.570 -11.553 29.740 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.929 -13.250 30.137 1.00 0.00 H new ATOM 1646 N SER A 124 -15.914 -12.792 29.916 1.00 0.00 N ATOM 1647 CA SER A 124 -17.141 -12.315 30.543 1.00 0.00 C ATOM 1648 C SER A 124 -17.506 -13.187 31.741 1.00 0.00 C ATOM 1649 O SER A 124 -17.949 -12.686 32.775 1.00 0.00 O ATOM 1650 CB SER A 124 -18.285 -12.325 29.531 1.00 0.00 C ATOM 1651 OG SER A 124 -19.460 -11.815 30.146 1.00 0.00 O ATOM 0 H SER A 124 -16.040 -13.190 28.985 1.00 0.00 H new ATOM 0 HA SER A 124 -16.976 -11.295 30.890 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.023 -11.720 28.663 1.00 0.00 H new ATOM 0 HB3 SER A 124 -18.459 -13.339 29.172 1.00 0.00 H new ATOM 0 HG SER A 124 -20.196 -11.819 29.499 1.00 0.00 H new ATOM 1657 N GLU A 125 -17.323 -14.495 31.591 1.00 0.00 N ATOM 1658 CA GLU A 125 -17.642 -15.429 32.665 1.00 0.00 C ATOM 1659 C GLU A 125 -16.820 -15.113 33.910 1.00 0.00 C ATOM 1660 O GLU A 125 -17.332 -15.148 35.028 1.00 0.00 O ATOM 1661 CB GLU A 125 -17.353 -16.862 32.212 1.00 0.00 C ATOM 1662 CG GLU A 125 -17.734 -17.837 33.327 1.00 0.00 C ATOM 1663 CD GLU A 125 -17.489 -19.272 32.873 1.00 0.00 C ATOM 1664 OE1 GLU A 125 -16.844 -19.447 31.853 1.00 0.00 O ATOM 1665 OE2 GLU A 125 -17.949 -20.175 33.553 1.00 0.00 O ATOM 0 H GLU A 125 -16.958 -14.930 30.743 1.00 0.00 H new ATOM 0 HA GLU A 125 -18.700 -15.330 32.906 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -17.917 -17.089 31.307 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.297 -16.970 31.965 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -17.149 -17.625 34.222 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -18.783 -17.705 33.593 1.00 0.00 H new ATOM 1672 N LEU A 126 -15.546 -14.800 33.707 1.00 0.00 N ATOM 1673 CA LEU A 126 -14.660 -14.471 34.817 1.00 0.00 C ATOM 1674 C LEU A 126 -15.072 -13.149 35.457 1.00 0.00 C ATOM 1675 O LEU A 126 -14.952 -12.970 36.670 1.00 0.00 O ATOM 1676 CB LEU A 126 -13.215 -14.383 34.329 1.00 0.00 C ATOM 1677 CG LEU A 126 -12.748 -15.765 33.866 1.00 0.00 C ATOM 1678 CD1 LEU A 126 -11.368 -15.646 33.216 1.00 0.00 C ATOM 1679 CD2 LEU A 126 -12.667 -16.711 35.069 1.00 0.00 C ATOM 0 H LEU A 126 -15.105 -14.767 32.788 1.00 0.00 H new ATOM 0 HA LEU A 126 -14.737 -15.261 35.564 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -13.140 -13.668 33.509 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.571 -14.019 35.130 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.459 -16.163 33.141 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.035 -16.630 32.886 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.426 -14.976 32.358 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.658 -15.247 33.940 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.334 -17.694 34.737 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.958 -16.315 35.796 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.651 -16.798 35.531 1.00 0.00 H new ATOM 1691 N GLN A 127 -15.547 -12.222 34.631 1.00 0.00 N ATOM 1692 CA GLN A 127 -15.972 -10.917 35.125 1.00 0.00 C ATOM 1693 C GLN A 127 -17.195 -11.052 36.025 1.00 0.00 C ATOM 1694 O GLN A 127 -17.278 -10.414 37.074 1.00 0.00 O ATOM 1695 CB GLN A 127 -16.298 -9.994 33.950 1.00 0.00 C ATOM 1696 CG GLN A 127 -15.001 -9.536 33.281 1.00 0.00 C ATOM 1697 CD GLN A 127 -15.319 -8.709 32.040 1.00 0.00 C ATOM 1698 OE1 GLN A 127 -16.486 -8.447 31.748 1.00 0.00 O ATOM 1699 NE2 GLN A 127 -14.343 -8.280 31.286 1.00 0.00 N ATOM 0 H GLN A 127 -15.647 -12.349 33.624 1.00 0.00 H new ATOM 0 HA GLN A 127 -15.156 -10.489 35.707 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -16.927 -10.516 33.228 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -16.863 -9.130 34.299 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -14.410 -8.945 33.981 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -14.398 -10.402 33.007 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -13.377 -8.498 31.529 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -14.547 -7.727 30.454 1.00 0.00 H new ATOM 1708 N GLN A 128 -18.138 -11.890 35.609 1.00 0.00 N ATOM 1709 CA GLN A 128 -19.355 -12.103 36.386 1.00 0.00 C ATOM 1710 C GLN A 128 -19.012 -12.577 37.794 1.00 0.00 C ATOM 1711 O GLN A 128 -19.666 -12.195 38.764 1.00 0.00 O ATOM 1712 CB GLN A 128 -20.241 -13.139 35.695 1.00 0.00 C ATOM 1713 CG GLN A 128 -20.793 -12.554 34.393 1.00 0.00 C ATOM 1714 CD GLN A 128 -21.618 -13.605 33.658 1.00 0.00 C ATOM 1715 OE1 GLN A 128 -21.186 -14.750 33.521 1.00 0.00 O ATOM 1716 NE2 GLN A 128 -22.786 -13.283 33.173 1.00 0.00 N ATOM 0 H GLN A 128 -18.085 -12.430 34.745 1.00 0.00 H new ATOM 0 HA GLN A 128 -19.893 -11.157 36.455 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.667 -14.042 35.486 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -21.061 -13.428 36.352 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -21.410 -11.682 34.609 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -19.973 -12.216 33.760 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -23.142 -12.334 33.288 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -23.343 -13.980 32.679 1.00 0.00 H new ATOM 1725 N TYR A 129 -17.981 -13.409 37.897 1.00 0.00 N ATOM 1726 CA TYR A 129 -17.553 -13.923 39.193 1.00 0.00 C ATOM 1727 C TYR A 129 -16.979 -12.801 40.053 1.00 0.00 C ATOM 1728 O TYR A 129 -17.190 -12.763 41.263 1.00 0.00 O ATOM 1729 CB TYR A 129 -16.500 -15.016 39.003 1.00 0.00 C ATOM 1730 CG TYR A 129 -17.184 -16.329 38.709 1.00 0.00 C ATOM 1731 CD1 TYR A 129 -17.038 -16.931 37.453 1.00 0.00 C ATOM 1732 CD2 TYR A 129 -17.964 -16.946 39.694 1.00 0.00 C ATOM 1733 CE1 TYR A 129 -17.672 -18.149 37.183 1.00 0.00 C ATOM 1734 CE2 TYR A 129 -18.598 -18.165 39.423 1.00 0.00 C ATOM 1735 CZ TYR A 129 -18.452 -18.766 38.168 1.00 0.00 C ATOM 1736 OH TYR A 129 -19.077 -19.967 37.901 1.00 0.00 O ATOM 0 H TYR A 129 -17.430 -13.740 37.105 1.00 0.00 H new ATOM 0 HA TYR A 129 -18.422 -14.344 39.699 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -15.830 -14.752 38.185 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -15.888 -15.106 39.900 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -16.436 -16.455 36.693 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -18.077 -16.482 40.663 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -17.559 -18.613 36.214 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -19.200 -18.641 40.183 1.00 0.00 H new ATOM 0 HH TYR A 129 -19.577 -20.258 38.692 1.00 0.00 H new ATOM 1746 N ARG A 130 -16.249 -11.891 39.419 1.00 0.00 N ATOM 1747 CA ARG A 130 -15.646 -10.772 40.133 1.00 0.00 C ATOM 1748 C ARG A 130 -16.723 -9.905 40.775 1.00 0.00 C ATOM 1749 O ARG A 130 -16.569 -9.439 41.904 1.00 0.00 O ATOM 1750 CB ARG A 130 -14.810 -9.926 39.172 1.00 0.00 C ATOM 1751 CG ARG A 130 -14.115 -8.806 39.950 1.00 0.00 C ATOM 1752 CD ARG A 130 -13.284 -7.956 38.987 1.00 0.00 C ATOM 1753 NE ARG A 130 -12.512 -6.964 39.729 1.00 0.00 N ATOM 1754 CZ ARG A 130 -11.239 -7.178 40.045 1.00 0.00 C ATOM 1755 NH1 ARG A 130 -10.570 -6.274 40.708 1.00 0.00 N ATOM 1756 NH2 ARG A 130 -10.657 -8.291 39.691 1.00 0.00 N ATOM 0 H ARG A 130 -16.061 -11.905 38.417 1.00 0.00 H new ATOM 0 HA ARG A 130 -15.001 -11.170 40.917 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -14.069 -10.550 38.672 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -15.447 -9.503 38.395 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -14.856 -8.185 40.454 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -13.475 -9.229 40.724 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.613 -8.595 38.413 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -13.939 -7.458 38.272 1.00 0.00 H new ATOM 0 HE ARG A 130 -12.958 -6.091 40.010 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -11.024 -5.403 40.984 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -9.593 -6.438 40.950 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -11.179 -8.997 39.172 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -9.680 -8.455 39.934 1.00 0.00 H new ATOM 1770 N GLU A 131 -17.811 -9.686 40.045 1.00 0.00 N ATOM 1771 CA GLU A 131 -18.905 -8.865 40.550 1.00 0.00 C ATOM 1772 C GLU A 131 -19.432 -9.425 41.866 1.00 0.00 C ATOM 1773 O GLU A 131 -19.832 -8.672 42.755 1.00 0.00 O ATOM 1774 CB GLU A 131 -20.039 -8.818 39.523 1.00 0.00 C ATOM 1775 CG GLU A 131 -19.579 -8.044 38.286 1.00 0.00 C ATOM 1776 CD GLU A 131 -20.670 -8.064 37.222 1.00 0.00 C ATOM 1777 OE1 GLU A 131 -21.715 -8.639 37.483 1.00 0.00 O ATOM 1778 OE2 GLU A 131 -20.446 -7.505 36.161 1.00 0.00 O ATOM 0 H GLU A 131 -17.959 -10.062 39.109 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.528 -7.857 40.722 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -20.332 -9.830 39.243 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -20.917 -8.340 39.958 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -19.344 -7.015 38.558 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -18.665 -8.486 37.890 1.00 0.00 H new