USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 SER OG : rot 170:sc= -0.645 USER MOD Single : A 17 LYS NZ :NH3+ -151:sc= -0.193 (180deg=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ -118:sc= -0.496 (180deg=-3.32!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.021) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -61:sc= -0.74 USER MOD Single : A 71 SER OG : rot 6:sc= -0.262 USER MOD Single : A 73 ASN : amide:sc= -5.89! C(o=-5.9!,f=-10!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 45:sc= 1.16 USER MOD Single : A 79 ASN : amide:sc= -0.126 K(o=-0.13,f=-2.5!) USER MOD Single : A 80 THR OG1 : rot -150:sc= -0.101 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -2.66 K(o=-2.7,f=-4.7) USER MOD Single : A 102 CYS SG : rot 180:sc= -0.524 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N TRP A 12 -7.670 -2.232 1.985 1.00 0.00 N ATOM 130 CA TRP A 12 -7.390 -0.979 1.293 1.00 0.00 C ATOM 131 C TRP A 12 -8.443 -0.699 0.226 1.00 0.00 C ATOM 132 O TRP A 12 -9.311 -1.532 -0.036 1.00 0.00 O ATOM 133 CB TRP A 12 -6.000 -1.025 0.655 1.00 0.00 C ATOM 134 CG TRP A 12 -4.915 -1.390 1.622 1.00 0.00 C ATOM 135 CD1 TRP A 12 -4.060 -0.535 2.256 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.568 -2.707 2.063 1.00 0.00 C ATOM 137 NE1 TRP A 12 -3.202 -1.240 3.065 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.494 -2.575 2.965 1.00 0.00 C ATOM 139 CE3 TRP A 12 -5.061 -3.985 1.786 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.906 -3.673 3.588 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -4.476 -5.074 2.405 1.00 0.00 C ATOM 142 CH2 TRP A 12 -3.408 -4.912 3.298 1.00 0.00 C ATOM 0 HA TRP A 12 -7.420 -0.173 2.026 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.007 -1.747 -0.162 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.776 -0.052 0.219 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.058 0.539 2.139 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.467 -0.835 3.646 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.885 -4.120 1.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.083 -3.551 4.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.848 -6.066 2.197 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.973 -5.782 3.766 1.00 0.00 H new ATOM 153 N SER A 13 -8.360 0.478 -0.386 1.00 0.00 N ATOM 154 CA SER A 13 -9.309 0.869 -1.422 1.00 0.00 C ATOM 155 C SER A 13 -8.800 0.470 -2.804 1.00 0.00 C ATOM 156 O SER A 13 -7.610 0.565 -3.106 1.00 0.00 O ATOM 157 CB SER A 13 -9.557 2.378 -1.374 1.00 0.00 C ATOM 158 OG SER A 13 -10.828 2.703 -1.908 1.00 0.00 O ATOM 0 H SER A 13 -7.646 1.177 -0.183 1.00 0.00 H new ATOM 0 HA SER A 13 -10.248 0.348 -1.235 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.492 2.728 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.780 2.896 -1.936 1.00 0.00 H new ATOM 0 HG SER A 13 -11.031 3.643 -1.721 1.00 0.00 H new ATOM 164 N PRO A 14 -9.722 0.011 -3.664 1.00 0.00 N ATOM 165 CA PRO A 14 -9.391 -0.411 -5.028 1.00 0.00 C ATOM 166 C PRO A 14 -9.000 0.762 -5.920 1.00 0.00 C ATOM 167 O PRO A 14 -8.708 0.584 -7.101 1.00 0.00 O ATOM 168 CB PRO A 14 -10.689 -1.052 -5.525 1.00 0.00 C ATOM 169 CG PRO A 14 -11.763 -0.407 -4.719 1.00 0.00 C ATOM 170 CD PRO A 14 -11.158 -0.129 -3.371 1.00 0.00 C ATOM 0 HA PRO A 14 -8.532 -1.082 -5.050 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.834 -0.876 -6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.679 -2.132 -5.378 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.105 0.514 -5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.630 -1.061 -4.630 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.568 0.778 -2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.348 -0.942 -2.670 1.00 0.00 H new ATOM 178 N GLU A 15 -8.997 1.961 -5.345 1.00 0.00 N ATOM 179 CA GLU A 15 -8.642 3.163 -6.090 1.00 0.00 C ATOM 180 C GLU A 15 -7.235 3.631 -5.730 1.00 0.00 C ATOM 181 O GLU A 15 -7.017 4.225 -4.673 1.00 0.00 O ATOM 182 CB GLU A 15 -9.650 4.280 -5.809 1.00 0.00 C ATOM 183 CG GLU A 15 -9.518 4.885 -4.421 1.00 0.00 C ATOM 184 CD GLU A 15 -10.837 5.400 -3.881 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.893 4.884 -4.305 1.00 0.00 O ATOM 186 OE2 GLU A 15 -10.815 6.318 -3.035 1.00 0.00 O ATOM 0 H GLU A 15 -9.236 2.125 -4.367 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.665 2.921 -7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.524 5.067 -6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.659 3.886 -5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.118 4.135 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.798 5.703 -4.452 1.00 0.00 H new ATOM 193 N VAL A 16 -6.282 3.358 -6.616 1.00 0.00 N ATOM 194 CA VAL A 16 -4.896 3.751 -6.393 1.00 0.00 C ATOM 195 C VAL A 16 -4.687 5.228 -6.703 1.00 0.00 C ATOM 196 O VAL A 16 -5.381 5.803 -7.541 1.00 0.00 O ATOM 197 CB VAL A 16 -3.931 2.915 -7.254 1.00 0.00 C ATOM 198 CG1 VAL A 16 -4.314 3.001 -8.723 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.495 3.372 -7.041 1.00 0.00 C ATOM 0 H VAL A 16 -6.445 2.866 -7.495 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.681 3.570 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.006 1.873 -6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.621 2.404 -9.315 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.327 2.621 -8.858 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.270 4.040 -9.050 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.827 2.771 -7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.402 4.421 -7.322 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.227 3.252 -5.991 1.00 0.00 H new ATOM 209 N LYS A 17 -3.723 5.840 -6.022 1.00 0.00 N ATOM 210 CA LYS A 17 -3.419 7.251 -6.225 1.00 0.00 C ATOM 211 C LYS A 17 -1.931 7.455 -6.488 1.00 0.00 C ATOM 212 O LYS A 17 -1.085 6.892 -5.791 1.00 0.00 O ATOM 213 CB LYS A 17 -3.848 8.067 -5.003 1.00 0.00 C ATOM 214 CG LYS A 17 -3.610 7.356 -3.682 1.00 0.00 C ATOM 215 CD LYS A 17 -3.264 8.337 -2.575 1.00 0.00 C ATOM 216 CE LYS A 17 -4.514 8.959 -1.971 1.00 0.00 C ATOM 217 NZ LYS A 17 -5.128 9.965 -2.881 1.00 0.00 N ATOM 0 H LYS A 17 -3.139 5.380 -5.324 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.975 7.595 -7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.306 9.013 -5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.908 8.307 -5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.501 6.793 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.801 6.635 -3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.699 7.824 -1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.621 9.122 -2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.240 8.176 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.262 9.433 -1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.623 10.686 -2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.384 10.419 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.806 9.493 -3.513 1.00 0.00 H new ATOM 231 N ILE A 18 -1.618 8.262 -7.496 1.00 0.00 N ATOM 232 CA ILE A 18 -0.231 8.541 -7.848 1.00 0.00 C ATOM 233 C ILE A 18 0.257 9.824 -7.184 1.00 0.00 C ATOM 234 O ILE A 18 -0.126 10.925 -7.579 1.00 0.00 O ATOM 235 CB ILE A 18 -0.052 8.665 -9.373 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.516 7.384 -10.069 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.401 8.962 -9.713 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.266 6.156 -9.659 1.00 0.00 C ATOM 0 H ILE A 18 -2.306 8.734 -8.083 1.00 0.00 H new ATOM 0 HA ILE A 18 0.362 7.700 -7.488 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.665 9.492 -9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.571 7.223 -9.849 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.431 7.515 -11.148 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.512 9.047 -10.794 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.701 9.899 -9.243 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.033 8.153 -9.346 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.117 5.286 -10.192 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.319 6.297 -9.904 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.161 5.999 -8.585 1.00 0.00 H new ATOM 250 N VAL A 19 1.108 9.673 -6.174 1.00 0.00 N ATOM 251 CA VAL A 19 1.652 10.820 -5.456 1.00 0.00 C ATOM 252 C VAL A 19 3.006 11.232 -6.024 1.00 0.00 C ATOM 253 O VAL A 19 3.891 10.398 -6.210 1.00 0.00 O ATOM 254 CB VAL A 19 1.809 10.519 -3.954 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.353 11.734 -3.219 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.480 10.077 -3.358 1.00 0.00 C ATOM 0 H VAL A 19 1.435 8.769 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 19 0.943 11.638 -5.583 1.00 0.00 H new ATOM 0 HB VAL A 19 2.524 9.704 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.457 11.502 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.327 12.001 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.666 12.571 -3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.609 9.868 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.257 10.870 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.135 9.176 -3.866 1.00 0.00 H new ATOM 266 N GLU A 20 3.159 12.524 -6.297 1.00 0.00 N ATOM 267 CA GLU A 20 4.405 13.046 -6.845 1.00 0.00 C ATOM 268 C GLU A 20 5.348 13.486 -5.728 1.00 0.00 C ATOM 269 O GLU A 20 5.142 14.525 -5.100 1.00 0.00 O ATOM 270 CB GLU A 20 4.123 14.222 -7.782 1.00 0.00 C ATOM 271 CG GLU A 20 3.863 13.805 -9.220 1.00 0.00 C ATOM 272 CD GLU A 20 2.404 13.484 -9.479 1.00 0.00 C ATOM 273 OE1 GLU A 20 1.679 13.190 -8.506 1.00 0.00 O ATOM 274 OE2 GLU A 20 1.988 13.527 -10.656 1.00 0.00 O ATOM 0 H GLU A 20 2.436 13.228 -6.148 1.00 0.00 H new ATOM 0 HA GLU A 20 4.886 12.248 -7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.259 14.773 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.971 14.906 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.180 14.605 -9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.471 12.932 -9.457 1.00 0.00 H new ATOM 281 N LEU A 21 6.382 12.688 -5.486 1.00 0.00 N ATOM 282 CA LEU A 21 7.357 12.994 -4.445 1.00 0.00 C ATOM 283 C LEU A 21 8.679 13.449 -5.054 1.00 0.00 C ATOM 284 O LEU A 21 9.205 12.815 -5.969 1.00 0.00 O ATOM 285 CB LEU A 21 7.586 11.769 -3.558 1.00 0.00 C ATOM 286 CG LEU A 21 6.535 11.518 -2.476 1.00 0.00 C ATOM 287 CD1 LEU A 21 7.073 10.565 -1.420 1.00 0.00 C ATOM 288 CD2 LEU A 21 6.100 12.831 -1.840 1.00 0.00 C ATOM 0 H LEU A 21 6.567 11.824 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 21 6.960 13.807 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.638 10.887 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.558 11.871 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 21 5.664 11.057 -2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.311 10.398 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.334 9.615 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.960 10.998 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.352 12.633 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.963 13.320 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.673 13.481 -2.604 1.00 0.00 H new ATOM 300 N VAL A 22 9.213 14.553 -4.539 1.00 0.00 N ATOM 301 CA VAL A 22 10.476 15.091 -5.030 1.00 0.00 C ATOM 302 C VAL A 22 11.654 14.545 -4.230 1.00 0.00 C ATOM 303 O VAL A 22 11.980 15.054 -3.158 1.00 0.00 O ATOM 304 CB VAL A 22 10.494 16.630 -4.963 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.779 17.176 -5.564 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.277 17.207 -5.670 1.00 0.00 C ATOM 0 H VAL A 22 8.791 15.091 -3.783 1.00 0.00 H new ATOM 0 HA VAL A 22 10.570 14.778 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 22 10.455 16.932 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.773 18.265 -5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.634 16.788 -5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.853 16.867 -6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.305 18.295 -5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.283 16.898 -6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.370 16.842 -5.189 1.00 0.00 H new ATOM 316 N LYS A 23 12.290 13.506 -4.760 1.00 0.00 N ATOM 317 CA LYS A 23 13.435 12.891 -4.099 1.00 0.00 C ATOM 318 C LYS A 23 14.667 13.783 -4.200 1.00 0.00 C ATOM 319 O LYS A 23 14.824 14.533 -5.164 1.00 0.00 O ATOM 320 CB LYS A 23 13.731 11.522 -4.715 1.00 0.00 C ATOM 321 CG LYS A 23 15.013 10.888 -4.203 1.00 0.00 C ATOM 322 CD LYS A 23 15.307 9.576 -4.909 1.00 0.00 C ATOM 323 CE LYS A 23 16.803 9.312 -4.995 1.00 0.00 C ATOM 324 NZ LYS A 23 17.299 8.548 -3.817 1.00 0.00 N ATOM 0 H LYS A 23 12.032 13.072 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 23 13.188 12.763 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.897 10.852 -4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.795 11.627 -5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.845 11.576 -4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.931 10.714 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.822 8.758 -4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.882 9.598 -5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.022 8.756 -5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.336 10.260 -5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.996 9.121 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.501 8.322 -3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.747 7.666 -4.139 1.00 0.00 H new ATOM 338 N ASP A 24 15.539 13.696 -3.202 1.00 0.00 N ATOM 339 CA ASP A 24 16.759 14.495 -3.180 1.00 0.00 C ATOM 340 C ASP A 24 17.978 13.616 -2.915 1.00 0.00 C ATOM 341 O ASP A 24 17.864 12.395 -2.806 1.00 0.00 O ATOM 342 CB ASP A 24 16.661 15.587 -2.115 1.00 0.00 C ATOM 343 CG ASP A 24 15.556 16.584 -2.408 1.00 0.00 C ATOM 344 OD1 ASP A 24 15.406 16.973 -3.585 1.00 0.00 O ATOM 345 OD2 ASP A 24 14.843 16.976 -1.460 1.00 0.00 O ATOM 0 H ASP A 24 15.424 13.080 -2.397 1.00 0.00 H new ATOM 0 HA ASP A 24 16.875 14.963 -4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.483 15.127 -1.143 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.613 16.113 -2.050 1.00 0.00 H new ATOM 350 N CYS A 25 19.143 14.246 -2.812 1.00 0.00 N ATOM 351 CA CYS A 25 20.384 13.522 -2.561 1.00 0.00 C ATOM 352 C CYS A 25 20.179 12.441 -1.506 1.00 0.00 C ATOM 353 O CYS A 25 20.512 11.275 -1.722 1.00 0.00 O ATOM 354 CB CYS A 25 21.481 14.488 -2.112 1.00 0.00 C ATOM 355 SG CYS A 25 22.424 15.218 -3.471 1.00 0.00 S ATOM 0 H CYS A 25 19.254 15.256 -2.898 1.00 0.00 H new ATOM 0 HA CYS A 25 20.690 13.043 -3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 25 21.028 15.289 -1.527 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.167 13.959 -1.451 1.00 0.00 H new ATOM 0 HG CYS A 25 23.326 16.022 -2.991 1.00 0.00 H new ATOM 361 N LYS A 26 19.630 12.835 -0.362 1.00 0.00 N ATOM 362 CA LYS A 26 19.380 11.900 0.729 1.00 0.00 C ATOM 363 C LYS A 26 18.398 10.814 0.302 1.00 0.00 C ATOM 364 O LYS A 26 18.515 9.661 0.713 1.00 0.00 O ATOM 365 CB LYS A 26 18.834 12.644 1.950 1.00 0.00 C ATOM 366 CG LYS A 26 17.558 13.418 1.670 1.00 0.00 C ATOM 367 CD LYS A 26 17.219 14.366 2.809 1.00 0.00 C ATOM 368 CE LYS A 26 17.871 15.726 2.614 1.00 0.00 C ATOM 369 NZ LYS A 26 17.072 16.600 1.711 1.00 0.00 N ATOM 0 H LYS A 26 19.350 13.796 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 26 20.326 11.426 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.646 11.926 2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.595 13.334 2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.670 13.984 0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.734 12.721 1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.138 14.486 2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.550 13.935 3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.989 16.214 3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.871 15.593 2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.550 17.517 1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.981 16.146 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.126 16.748 2.118 1.00 0.00 H new ATOM 383 N GLY A 27 17.430 11.191 -0.529 1.00 0.00 N ATOM 384 CA GLY A 27 16.443 10.237 -1.000 1.00 0.00 C ATOM 385 C GLY A 27 15.029 10.633 -0.624 1.00 0.00 C ATOM 386 O GLY A 27 14.599 11.756 -0.892 1.00 0.00 O ATOM 0 H GLY A 27 17.312 12.140 -0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.516 10.148 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.665 9.254 -0.584 1.00 0.00 H new ATOM 390 N LEU A 28 14.303 9.710 -0.004 1.00 0.00 N ATOM 391 CA LEU A 28 12.927 9.968 0.408 1.00 0.00 C ATOM 392 C LEU A 28 12.860 10.324 1.890 1.00 0.00 C ATOM 393 O LEU A 28 13.887 10.450 2.556 1.00 0.00 O ATOM 394 CB LEU A 28 12.052 8.745 0.126 1.00 0.00 C ATOM 395 CG LEU A 28 11.607 8.559 -1.325 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.140 9.882 -1.914 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.737 7.972 -2.159 1.00 0.00 C ATOM 0 H LEU A 28 14.644 8.776 0.225 1.00 0.00 H new ATOM 0 HA LEU A 28 12.554 10.815 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.598 7.854 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.162 8.807 0.753 1.00 0.00 H new ATOM 0 HG LEU A 28 10.770 7.861 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.827 9.730 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.300 10.263 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.958 10.602 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.402 7.847 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.594 8.645 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.025 7.003 -1.751 1.00 0.00 H new ATOM 409 N GLY A 29 11.643 10.482 2.401 1.00 0.00 N ATOM 410 CA GLY A 29 11.464 10.820 3.801 1.00 0.00 C ATOM 411 C GLY A 29 10.464 9.916 4.492 1.00 0.00 C ATOM 412 O GLY A 29 9.794 10.328 5.440 1.00 0.00 O ATOM 0 H GLY A 29 10.778 10.382 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.424 10.753 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.131 11.855 3.882 1.00 0.00 H new ATOM 416 N PHE A 30 10.359 8.679 4.017 1.00 0.00 N ATOM 417 CA PHE A 30 9.431 7.714 4.595 1.00 0.00 C ATOM 418 C PHE A 30 10.065 6.328 4.673 1.00 0.00 C ATOM 419 O PHE A 30 11.194 6.125 4.227 1.00 0.00 O ATOM 420 CB PHE A 30 8.146 7.653 3.767 1.00 0.00 C ATOM 421 CG PHE A 30 8.379 7.319 2.321 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.598 8.323 1.391 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.380 6.002 1.892 1.00 0.00 C ATOM 424 CE1 PHE A 30 8.812 8.018 0.060 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.594 5.691 0.562 1.00 0.00 C ATOM 426 CZ PHE A 30 8.812 6.701 -0.354 1.00 0.00 C ATOM 0 H PHE A 30 10.905 8.321 3.233 1.00 0.00 H new ATOM 0 HA PHE A 30 9.189 8.041 5.606 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.479 6.908 4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.636 8.614 3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.601 9.355 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.212 5.209 2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.979 8.809 -0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.591 4.660 0.240 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.982 6.461 -1.393 1.00 0.00 H new ATOM 436 N SER A 31 9.331 5.379 5.244 1.00 0.00 N ATOM 437 CA SER A 31 9.822 4.014 5.386 1.00 0.00 C ATOM 438 C SER A 31 8.801 3.011 4.855 1.00 0.00 C ATOM 439 O SER A 31 7.691 3.383 4.473 1.00 0.00 O ATOM 440 CB SER A 31 10.136 3.711 6.852 1.00 0.00 C ATOM 441 OG SER A 31 11.420 4.192 7.208 1.00 0.00 O ATOM 0 H SER A 31 8.393 5.531 5.616 1.00 0.00 H new ATOM 0 HA SER A 31 10.736 3.921 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.382 4.170 7.491 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.087 2.636 7.023 1.00 0.00 H new ATOM 0 HG SER A 31 11.596 3.988 8.150 1.00 0.00 H new ATOM 447 N ILE A 32 9.186 1.740 4.835 1.00 0.00 N ATOM 448 CA ILE A 32 8.305 0.683 4.353 1.00 0.00 C ATOM 449 C ILE A 32 8.546 -0.620 5.106 1.00 0.00 C ATOM 450 O ILE A 32 9.635 -0.854 5.631 1.00 0.00 O ATOM 451 CB ILE A 32 8.496 0.435 2.845 1.00 0.00 C ATOM 452 CG1 ILE A 32 9.972 0.575 2.466 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.643 1.400 2.036 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.352 -0.195 1.221 1.00 0.00 C ATOM 0 H ILE A 32 10.102 1.417 5.147 1.00 0.00 H new ATOM 0 HA ILE A 32 7.283 1.018 4.531 1.00 0.00 H new ATOM 0 HB ILE A 32 8.176 -0.581 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.201 1.630 2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.587 0.231 3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.790 1.211 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.592 1.257 2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.935 2.425 2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.412 -0.050 1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.155 -1.256 1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.764 0.165 0.377 1.00 0.00 H new ATOM 466 N LEU A 33 7.523 -1.467 5.154 1.00 0.00 N ATOM 467 CA LEU A 33 7.624 -2.750 5.841 1.00 0.00 C ATOM 468 C LEU A 33 6.900 -3.844 5.062 1.00 0.00 C ATOM 469 O LEU A 33 6.205 -3.567 4.084 1.00 0.00 O ATOM 470 CB LEU A 33 7.042 -2.642 7.252 1.00 0.00 C ATOM 471 CG LEU A 33 5.550 -2.950 7.388 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.170 -3.112 8.851 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.718 -1.854 6.737 1.00 0.00 C ATOM 0 H LEU A 33 6.615 -1.288 4.726 1.00 0.00 H new ATOM 0 HA LEU A 33 8.679 -3.016 5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.593 -3.320 7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.219 -1.631 7.620 1.00 0.00 H new ATOM 0 HG LEU A 33 5.344 -3.889 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.105 -3.331 8.928 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.741 -3.932 9.287 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.391 -2.190 9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.659 -2.089 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.928 -0.901 7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.970 -1.786 5.679 1.00 0.00 H new ATOM 485 N ASP A 34 7.066 -5.085 5.504 1.00 0.00 N ATOM 486 CA ASP A 34 6.425 -6.221 4.851 1.00 0.00 C ATOM 487 C ASP A 34 5.193 -6.672 5.629 1.00 0.00 C ATOM 488 O ASP A 34 5.287 -7.041 6.800 1.00 0.00 O ATOM 489 CB ASP A 34 7.412 -7.382 4.716 1.00 0.00 C ATOM 490 CG ASP A 34 7.934 -7.857 6.057 1.00 0.00 C ATOM 491 OD1 ASP A 34 8.260 -6.999 6.904 1.00 0.00 O ATOM 492 OD2 ASP A 34 8.017 -9.086 6.261 1.00 0.00 O ATOM 0 H ASP A 34 7.639 -5.331 6.312 1.00 0.00 H new ATOM 0 HA ASP A 34 6.108 -5.906 3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.924 -8.212 4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.250 -7.072 4.092 1.00 0.00 H new ATOM 497 N TYR A 35 4.039 -6.638 4.971 1.00 0.00 N ATOM 498 CA TYR A 35 2.788 -7.040 5.603 1.00 0.00 C ATOM 499 C TYR A 35 2.289 -8.363 5.030 1.00 0.00 C ATOM 500 O TYR A 35 2.593 -8.712 3.890 1.00 0.00 O ATOM 501 CB TYR A 35 1.725 -5.956 5.412 1.00 0.00 C ATOM 502 CG TYR A 35 0.716 -5.894 6.536 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.299 -6.837 6.638 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.776 -4.890 7.495 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.224 -6.784 7.663 1.00 0.00 C ATOM 506 CE2 TYR A 35 -0.144 -4.829 8.524 1.00 0.00 C ATOM 507 CZ TYR A 35 -1.142 -5.778 8.603 1.00 0.00 C ATOM 508 OH TYR A 35 -2.061 -5.720 9.626 1.00 0.00 O ATOM 0 H TYR A 35 3.944 -6.336 4.001 1.00 0.00 H new ATOM 0 HA TYR A 35 2.975 -7.173 6.669 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.217 -4.988 5.323 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.200 -6.134 4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.366 -7.626 5.903 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.555 -4.145 7.435 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.006 -7.526 7.728 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.082 -4.043 9.262 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.862 -4.952 10.202 1.00 0.00 H new ATOM 518 N GLN A 36 1.522 -9.095 5.832 1.00 0.00 N ATOM 519 CA GLN A 36 0.981 -10.380 5.406 1.00 0.00 C ATOM 520 C GLN A 36 -0.539 -10.400 5.533 1.00 0.00 C ATOM 521 O GLN A 36 -1.089 -10.054 6.579 1.00 0.00 O ATOM 522 CB GLN A 36 1.589 -11.513 6.234 1.00 0.00 C ATOM 523 CG GLN A 36 2.845 -12.110 5.620 1.00 0.00 C ATOM 524 CD GLN A 36 3.221 -13.442 6.238 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.350 -13.631 6.693 1.00 0.00 O ATOM 526 NE2 GLN A 36 2.276 -14.374 6.258 1.00 0.00 N ATOM 0 H GLN A 36 1.262 -8.820 6.779 1.00 0.00 H new ATOM 0 HA GLN A 36 1.241 -10.526 4.358 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.825 -11.138 7.230 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.846 -12.301 6.358 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.694 -12.241 4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.672 -11.411 5.742 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.354 -14.174 5.870 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.472 -15.290 6.662 1.00 0.00 H new ATOM 535 N ASP A 37 -1.212 -10.808 4.463 1.00 0.00 N ATOM 536 CA ASP A 37 -2.669 -10.874 4.455 1.00 0.00 C ATOM 537 C ASP A 37 -3.173 -11.885 5.480 1.00 0.00 C ATOM 538 O ASP A 37 -2.638 -12.985 5.617 1.00 0.00 O ATOM 539 CB ASP A 37 -3.177 -11.245 3.061 1.00 0.00 C ATOM 540 CG ASP A 37 -4.665 -11.004 2.903 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.051 -9.854 2.607 1.00 0.00 O ATOM 542 OD2 ASP A 37 -5.444 -11.964 3.078 1.00 0.00 O ATOM 0 H ASP A 37 -0.772 -11.098 3.590 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.054 -9.890 4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.637 -10.663 2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.959 -12.295 2.866 1.00 0.00 H new ATOM 547 N PRO A 38 -4.226 -11.505 6.218 1.00 0.00 N ATOM 548 CA PRO A 38 -4.825 -12.365 7.244 1.00 0.00 C ATOM 549 C PRO A 38 -5.553 -13.563 6.644 1.00 0.00 C ATOM 550 O PRO A 38 -5.835 -14.541 7.337 1.00 0.00 O ATOM 551 CB PRO A 38 -5.815 -11.436 7.951 1.00 0.00 C ATOM 552 CG PRO A 38 -6.156 -10.401 6.935 1.00 0.00 C ATOM 553 CD PRO A 38 -4.914 -10.208 6.109 1.00 0.00 C ATOM 0 HA PRO A 38 -4.073 -12.793 7.907 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.703 -11.978 8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.371 -10.987 8.840 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.992 -10.724 6.314 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.456 -9.468 7.413 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.154 -9.966 5.074 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.299 -9.394 6.492 1.00 0.00 H new ATOM 561 N LEU A 39 -5.854 -13.480 5.353 1.00 0.00 N ATOM 562 CA LEU A 39 -6.550 -14.558 4.659 1.00 0.00 C ATOM 563 C LEU A 39 -5.572 -15.406 3.853 1.00 0.00 C ATOM 564 O LEU A 39 -5.812 -16.590 3.614 1.00 0.00 O ATOM 565 CB LEU A 39 -7.627 -13.986 3.736 1.00 0.00 C ATOM 566 CG LEU A 39 -8.470 -12.848 4.313 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.283 -12.177 3.217 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.383 -13.367 5.415 1.00 0.00 C ATOM 0 H LEU A 39 -5.627 -12.678 4.766 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.023 -15.193 5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.145 -13.629 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.296 -14.796 3.446 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.798 -12.106 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.876 -11.370 3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.610 -11.771 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.946 -12.909 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.976 -12.544 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.048 -14.129 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.780 -13.801 6.213 1.00 0.00 H new ATOM 580 N ASP A 40 -4.468 -14.794 3.438 1.00 0.00 N ATOM 581 CA ASP A 40 -3.452 -15.494 2.661 1.00 0.00 C ATOM 582 C ASP A 40 -2.056 -15.193 3.197 1.00 0.00 C ATOM 583 O ASP A 40 -1.468 -14.148 2.917 1.00 0.00 O ATOM 584 CB ASP A 40 -3.542 -15.096 1.187 1.00 0.00 C ATOM 585 CG ASP A 40 -3.056 -16.194 0.261 1.00 0.00 C ATOM 586 OD1 ASP A 40 -3.287 -17.381 0.573 1.00 0.00 O ATOM 587 OD2 ASP A 40 -2.444 -15.865 -0.777 1.00 0.00 O ATOM 0 H ASP A 40 -4.254 -13.815 3.627 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.634 -16.565 2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.575 -14.849 0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.951 -14.195 1.020 1.00 0.00 H new ATOM 592 N PRO A 41 -1.511 -16.130 3.988 1.00 0.00 N ATOM 593 CA PRO A 41 -0.177 -15.987 4.581 1.00 0.00 C ATOM 594 C PRO A 41 0.933 -16.081 3.540 1.00 0.00 C ATOM 595 O PRO A 41 2.041 -15.587 3.752 1.00 0.00 O ATOM 596 CB PRO A 41 -0.095 -17.164 5.557 1.00 0.00 C ATOM 597 CG PRO A 41 -1.039 -18.177 5.008 1.00 0.00 C ATOM 598 CD PRO A 41 -2.154 -17.400 4.364 1.00 0.00 C ATOM 0 HA PRO A 41 -0.043 -15.014 5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.919 -17.559 5.617 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.380 -16.863 6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.542 -18.820 4.282 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.420 -18.824 5.798 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.556 -17.920 3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.984 -17.242 5.053 1.00 0.00 H new ATOM 606 N THR A 42 0.629 -16.716 2.412 1.00 0.00 N ATOM 607 CA THR A 42 1.601 -16.875 1.338 1.00 0.00 C ATOM 608 C THR A 42 1.666 -15.626 0.467 1.00 0.00 C ATOM 609 O THR A 42 2.311 -15.622 -0.582 1.00 0.00 O ATOM 610 CB THR A 42 1.265 -18.089 0.451 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.011 -17.903 -0.171 1.00 0.00 O ATOM 612 CG2 THR A 42 1.255 -19.371 1.270 1.00 0.00 C ATOM 0 H THR A 42 -0.284 -17.129 2.219 1.00 0.00 H new ATOM 0 HA THR A 42 2.570 -17.037 1.810 1.00 0.00 H new ATOM 0 HB THR A 42 2.033 -18.174 -0.317 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.216 -18.678 -0.734 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.015 -20.215 0.623 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.237 -19.525 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.505 -19.294 2.058 1.00 0.00 H new ATOM 620 N ARG A 43 0.996 -14.566 0.908 1.00 0.00 N ATOM 621 CA ARG A 43 0.977 -13.311 0.167 1.00 0.00 C ATOM 622 C ARG A 43 1.395 -12.146 1.060 1.00 0.00 C ATOM 623 O ARG A 43 0.838 -11.948 2.140 1.00 0.00 O ATOM 624 CB ARG A 43 -0.417 -13.052 -0.406 1.00 0.00 C ATOM 625 CG ARG A 43 -0.619 -13.626 -1.800 1.00 0.00 C ATOM 626 CD ARG A 43 -1.752 -12.925 -2.532 1.00 0.00 C ATOM 627 NE ARG A 43 -2.232 -13.702 -3.671 1.00 0.00 N ATOM 628 CZ ARG A 43 -3.416 -13.514 -4.243 1.00 0.00 C ATOM 629 NH1 ARG A 43 -4.236 -12.579 -3.785 1.00 0.00 N ATOM 630 NH2 ARG A 43 -3.781 -14.262 -5.277 1.00 0.00 N ATOM 0 H ARG A 43 0.459 -14.552 1.775 1.00 0.00 H new ATOM 0 HA ARG A 43 1.690 -13.393 -0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.162 -13.480 0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.594 -11.977 -0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.303 -13.526 -2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.835 -14.692 -1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.576 -12.749 -1.840 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.411 -11.949 -2.877 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.625 -14.429 -4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.958 -12.002 -2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.145 -12.437 -4.226 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.152 -14.982 -5.633 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.690 -14.117 -5.716 1.00 0.00 H new ATOM 644 N SER A 44 2.381 -11.380 0.602 1.00 0.00 N ATOM 645 CA SER A 44 2.877 -10.239 1.362 1.00 0.00 C ATOM 646 C SER A 44 2.701 -8.944 0.573 1.00 0.00 C ATOM 647 O SER A 44 2.730 -8.944 -0.657 1.00 0.00 O ATOM 648 CB SER A 44 4.352 -10.437 1.716 1.00 0.00 C ATOM 649 OG SER A 44 5.115 -10.753 0.565 1.00 0.00 O ATOM 0 H SER A 44 2.851 -11.529 -0.291 1.00 0.00 H new ATOM 0 HA SER A 44 2.297 -10.166 2.282 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.743 -9.530 2.178 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.449 -11.236 2.451 1.00 0.00 H new ATOM 0 HG SER A 44 6.054 -10.873 0.818 1.00 0.00 H new ATOM 655 N VAL A 45 2.518 -7.841 1.292 1.00 0.00 N ATOM 656 CA VAL A 45 2.338 -6.539 0.661 1.00 0.00 C ATOM 657 C VAL A 45 3.093 -5.453 1.419 1.00 0.00 C ATOM 658 O VAL A 45 3.059 -5.401 2.649 1.00 0.00 O ATOM 659 CB VAL A 45 0.849 -6.154 0.583 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.060 -7.220 -0.162 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.281 -5.937 1.978 1.00 0.00 C ATOM 0 H VAL A 45 2.491 -7.823 2.311 1.00 0.00 H new ATOM 0 HA VAL A 45 2.738 -6.619 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 45 0.762 -5.219 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.990 -6.931 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.452 -7.322 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.152 -8.172 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.772 -5.666 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.379 -6.855 2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.828 -5.135 2.473 1.00 0.00 H new ATOM 671 N ILE A 46 3.774 -4.586 0.677 1.00 0.00 N ATOM 672 CA ILE A 46 4.537 -3.499 1.279 1.00 0.00 C ATOM 673 C ILE A 46 3.624 -2.348 1.688 1.00 0.00 C ATOM 674 O ILE A 46 2.786 -1.898 0.907 1.00 0.00 O ATOM 675 CB ILE A 46 5.614 -2.967 0.316 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.605 -4.078 -0.040 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.340 -1.782 0.935 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.286 -4.688 1.164 1.00 0.00 C ATOM 0 H ILE A 46 3.813 -4.615 -0.342 1.00 0.00 H new ATOM 0 HA ILE A 46 5.023 -3.907 2.165 1.00 0.00 H new ATOM 0 HB ILE A 46 5.127 -2.632 -0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.079 -4.862 -0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.364 -3.676 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.098 -1.417 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.625 -0.986 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.817 -2.093 1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.974 -5.468 0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.840 -3.916 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.536 -5.120 1.826 1.00 0.00 H new ATOM 690 N VAL A 47 3.794 -1.875 2.919 1.00 0.00 N ATOM 691 CA VAL A 47 2.988 -0.774 3.433 1.00 0.00 C ATOM 692 C VAL A 47 3.861 0.416 3.813 1.00 0.00 C ATOM 693 O VAL A 47 5.087 0.310 3.858 1.00 0.00 O ATOM 694 CB VAL A 47 2.165 -1.206 4.661 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.845 -0.451 4.712 1.00 0.00 C ATOM 696 CG2 VAL A 47 1.929 -2.709 4.641 1.00 0.00 C ATOM 0 H VAL A 47 4.483 -2.237 3.579 1.00 0.00 H new ATOM 0 HA VAL A 47 2.307 -0.481 2.634 1.00 0.00 H new ATOM 0 HB VAL A 47 2.730 -0.962 5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.277 -0.769 5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.040 0.619 4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.270 -0.661 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.346 -2.997 5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.384 -2.980 3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.887 -3.228 4.657 1.00 0.00 H new ATOM 706 N ILE A 48 3.222 1.549 4.085 1.00 0.00 N ATOM 707 CA ILE A 48 3.941 2.759 4.463 1.00 0.00 C ATOM 708 C ILE A 48 4.250 2.771 5.957 1.00 0.00 C ATOM 709 O ILE A 48 3.441 3.227 6.765 1.00 0.00 O ATOM 710 CB ILE A 48 3.140 4.025 4.106 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.839 4.058 2.606 1.00 0.00 C ATOM 712 CG2 ILE A 48 3.904 5.272 4.526 1.00 0.00 C ATOM 713 CD1 ILE A 48 4.064 4.289 1.749 1.00 0.00 C ATOM 0 H ILE A 48 2.208 1.654 4.051 1.00 0.00 H new ATOM 0 HA ILE A 48 4.875 2.759 3.901 1.00 0.00 H new ATOM 0 HB ILE A 48 2.194 4.003 4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.375 3.115 2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.112 4.846 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.325 6.158 4.267 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.072 5.250 5.603 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.863 5.302 4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.776 4.300 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.517 5.245 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.783 3.488 1.919 1.00 0.00 H new ATOM 725 N ARG A 49 5.427 2.268 6.316 1.00 0.00 N ATOM 726 CA ARG A 49 5.843 2.222 7.712 1.00 0.00 C ATOM 727 C ARG A 49 5.477 3.516 8.433 1.00 0.00 C ATOM 728 O ARG A 49 4.647 3.519 9.342 1.00 0.00 O ATOM 729 CB ARG A 49 7.351 1.981 7.809 1.00 0.00 C ATOM 730 CG ARG A 49 7.874 1.963 9.236 1.00 0.00 C ATOM 731 CD ARG A 49 7.267 0.823 10.039 1.00 0.00 C ATOM 732 NE ARG A 49 7.909 0.668 11.341 1.00 0.00 N ATOM 733 CZ ARG A 49 7.737 -0.391 12.124 1.00 0.00 C ATOM 734 NH1 ARG A 49 6.948 -1.384 11.737 1.00 0.00 N ATOM 735 NH2 ARG A 49 8.356 -0.460 13.296 1.00 0.00 N ATOM 0 H ARG A 49 6.108 1.887 5.660 1.00 0.00 H new ATOM 0 HA ARG A 49 5.318 1.397 8.194 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.590 1.031 7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.871 2.759 7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.959 1.864 9.225 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.645 2.912 9.720 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.202 1.006 10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.359 -0.106 9.476 1.00 0.00 H new ATOM 0 HE ARG A 49 8.523 1.414 11.667 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.472 -1.336 10.836 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.817 -2.196 12.340 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.965 0.301 13.597 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.223 -1.274 13.896 1.00 0.00 H new ATOM 749 N SER A 50 6.102 4.614 8.020 1.00 0.00 N ATOM 750 CA SER A 50 5.845 5.914 8.628 1.00 0.00 C ATOM 751 C SER A 50 6.505 7.030 7.824 1.00 0.00 C ATOM 752 O SER A 50 7.448 6.793 7.068 1.00 0.00 O ATOM 753 CB SER A 50 6.358 5.937 10.069 1.00 0.00 C ATOM 754 OG SER A 50 5.597 6.826 10.868 1.00 0.00 O ATOM 0 H SER A 50 6.790 4.629 7.267 1.00 0.00 H new ATOM 0 HA SER A 50 4.768 6.080 8.630 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.311 4.933 10.491 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.405 6.239 10.081 1.00 0.00 H new ATOM 0 HG SER A 50 5.944 6.821 11.784 1.00 0.00 H new ATOM 760 N LEU A 51 6.002 8.248 7.991 1.00 0.00 N ATOM 761 CA LEU A 51 6.542 9.403 7.282 1.00 0.00 C ATOM 762 C LEU A 51 7.475 10.207 8.180 1.00 0.00 C ATOM 763 O LEU A 51 7.051 10.769 9.190 1.00 0.00 O ATOM 764 CB LEU A 51 5.405 10.295 6.780 1.00 0.00 C ATOM 765 CG LEU A 51 4.106 9.580 6.406 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.011 10.589 6.097 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.330 8.653 5.220 1.00 0.00 C ATOM 0 H LEU A 51 5.221 8.462 8.611 1.00 0.00 H new ATOM 0 HA LEU A 51 7.114 9.039 6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.181 11.033 7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.759 10.843 5.907 1.00 0.00 H new ATOM 0 HG LEU A 51 3.787 8.978 7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.094 10.062 5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.832 11.211 6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.321 11.218 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.395 8.153 4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.673 9.234 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.082 7.908 5.478 1.00 0.00 H new ATOM 779 N VAL A 52 8.750 10.260 7.805 1.00 0.00 N ATOM 780 CA VAL A 52 9.743 10.999 8.575 1.00 0.00 C ATOM 781 C VAL A 52 9.309 12.444 8.791 1.00 0.00 C ATOM 782 O VAL A 52 8.728 13.067 7.903 1.00 0.00 O ATOM 783 CB VAL A 52 11.117 10.986 7.878 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.124 11.807 8.667 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.607 9.557 7.695 1.00 0.00 C ATOM 0 H VAL A 52 9.119 9.800 6.973 1.00 0.00 H new ATOM 0 HA VAL A 52 9.828 10.501 9.541 1.00 0.00 H new ATOM 0 HB VAL A 52 11.010 11.438 6.892 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.088 11.786 8.159 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.775 12.837 8.741 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.231 11.388 9.667 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.579 9.566 7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.699 9.076 8.669 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.894 9.004 7.083 1.00 0.00 H new ATOM 795 N ALA A 53 9.595 12.971 9.977 1.00 0.00 N ATOM 796 CA ALA A 53 9.236 14.345 10.308 1.00 0.00 C ATOM 797 C ALA A 53 9.748 15.317 9.251 1.00 0.00 C ATOM 798 O ALA A 53 10.952 15.552 9.142 1.00 0.00 O ATOM 799 CB ALA A 53 9.782 14.716 11.679 1.00 0.00 C ATOM 0 H ALA A 53 10.074 12.468 10.724 1.00 0.00 H new ATOM 0 HA ALA A 53 8.149 14.415 10.330 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.507 15.744 11.914 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.363 14.047 12.431 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.868 14.623 11.676 1.00 0.00 H new ATOM 805 N ASP A 54 8.828 15.878 8.475 1.00 0.00 N ATOM 806 CA ASP A 54 9.187 16.825 7.426 1.00 0.00 C ATOM 807 C ASP A 54 9.873 16.114 6.263 1.00 0.00 C ATOM 808 O ASP A 54 10.666 16.713 5.537 1.00 0.00 O ATOM 809 CB ASP A 54 10.102 17.915 7.985 1.00 0.00 C ATOM 810 CG ASP A 54 9.947 19.233 7.252 1.00 0.00 C ATOM 811 OD1 ASP A 54 10.294 19.290 6.054 1.00 0.00 O ATOM 812 OD2 ASP A 54 9.481 20.209 7.877 1.00 0.00 O ATOM 0 H ASP A 54 7.828 15.694 8.552 1.00 0.00 H new ATOM 0 HA ASP A 54 8.270 17.285 7.057 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.882 18.063 9.042 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.139 17.585 7.918 1.00 0.00 H new ATOM 817 N GLY A 55 9.563 14.833 6.093 1.00 0.00 N ATOM 818 CA GLY A 55 10.159 14.061 5.018 1.00 0.00 C ATOM 819 C GLY A 55 9.431 14.243 3.701 1.00 0.00 C ATOM 820 O GLY A 55 8.232 14.522 3.680 1.00 0.00 O ATOM 0 H GLY A 55 8.909 14.315 6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.201 14.356 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.156 13.005 5.288 1.00 0.00 H new ATOM 824 N VAL A 56 10.157 14.086 2.599 1.00 0.00 N ATOM 825 CA VAL A 56 9.573 14.235 1.271 1.00 0.00 C ATOM 826 C VAL A 56 8.143 13.708 1.238 1.00 0.00 C ATOM 827 O VAL A 56 7.278 14.273 0.569 1.00 0.00 O ATOM 828 CB VAL A 56 10.406 13.496 0.206 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.750 13.615 -1.161 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.827 14.036 0.173 1.00 0.00 C ATOM 0 H VAL A 56 11.151 13.856 2.599 1.00 0.00 H new ATOM 0 HA VAL A 56 9.570 15.301 1.044 1.00 0.00 H new ATOM 0 HB VAL A 56 10.449 12.440 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.352 13.087 -1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.753 13.177 -1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.675 14.666 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.401 13.503 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.807 15.099 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.293 13.894 1.148 1.00 0.00 H new ATOM 840 N ALA A 57 7.901 12.622 1.965 1.00 0.00 N ATOM 841 CA ALA A 57 6.574 12.020 2.021 1.00 0.00 C ATOM 842 C ALA A 57 5.553 12.995 2.599 1.00 0.00 C ATOM 843 O ALA A 57 4.580 13.352 1.936 1.00 0.00 O ATOM 844 CB ALA A 57 6.610 10.741 2.843 1.00 0.00 C ATOM 0 H ALA A 57 8.606 12.141 2.523 1.00 0.00 H new ATOM 0 HA ALA A 57 6.269 11.776 1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.613 10.302 2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.303 10.034 2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.940 10.969 3.856 1.00 0.00 H new ATOM 850 N GLU A 58 5.783 13.420 3.837 1.00 0.00 N ATOM 851 CA GLU A 58 4.881 14.351 4.504 1.00 0.00 C ATOM 852 C GLU A 58 4.833 15.685 3.764 1.00 0.00 C ATOM 853 O GLU A 58 3.770 16.290 3.620 1.00 0.00 O ATOM 854 CB GLU A 58 5.321 14.574 5.952 1.00 0.00 C ATOM 855 CG GLU A 58 4.192 15.008 6.871 1.00 0.00 C ATOM 856 CD GLU A 58 4.690 15.737 8.104 1.00 0.00 C ATOM 857 OE1 GLU A 58 5.643 15.241 8.741 1.00 0.00 O ATOM 858 OE2 GLU A 58 4.128 16.803 8.432 1.00 0.00 O ATOM 0 H GLU A 58 6.586 13.135 4.398 1.00 0.00 H new ATOM 0 HA GLU A 58 3.882 13.916 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.757 13.652 6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.106 15.330 5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.510 15.656 6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.621 14.132 7.178 1.00 0.00 H new ATOM 865 N ARG A 59 5.992 16.139 3.298 1.00 0.00 N ATOM 866 CA ARG A 59 6.083 17.401 2.575 1.00 0.00 C ATOM 867 C ARG A 59 5.012 17.487 1.492 1.00 0.00 C ATOM 868 O ARG A 59 4.170 18.385 1.507 1.00 0.00 O ATOM 869 CB ARG A 59 7.470 17.555 1.948 1.00 0.00 C ATOM 870 CG ARG A 59 8.601 17.559 2.963 1.00 0.00 C ATOM 871 CD ARG A 59 9.787 18.375 2.473 1.00 0.00 C ATOM 872 NE ARG A 59 9.428 19.768 2.224 1.00 0.00 N ATOM 873 CZ ARG A 59 10.254 20.654 1.679 1.00 0.00 C ATOM 874 NH1 ARG A 59 11.480 20.293 1.327 1.00 0.00 N ATOM 875 NH2 ARG A 59 9.853 21.904 1.483 1.00 0.00 N ATOM 0 H ARG A 59 6.881 15.651 3.409 1.00 0.00 H new ATOM 0 HA ARG A 59 5.921 18.210 3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.632 16.742 1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.501 18.484 1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.242 17.968 3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.919 16.535 3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.586 18.333 3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.178 17.932 1.557 1.00 0.00 H new ATOM 0 HE ARG A 59 8.491 20.078 2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.791 19.333 1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.112 20.975 0.909 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.910 22.185 1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.488 22.584 1.064 1.00 0.00 H new ATOM 889 N SER A 60 5.050 16.547 0.553 1.00 0.00 N ATOM 890 CA SER A 60 4.085 16.518 -0.540 1.00 0.00 C ATOM 891 C SER A 60 2.656 16.533 -0.003 1.00 0.00 C ATOM 892 O SER A 60 1.807 17.280 -0.488 1.00 0.00 O ATOM 893 CB SER A 60 4.302 15.278 -1.408 1.00 0.00 C ATOM 894 OG SER A 60 3.679 14.140 -0.838 1.00 0.00 O ATOM 0 H SER A 60 5.739 15.795 0.527 1.00 0.00 H new ATOM 0 HA SER A 60 4.236 17.409 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.901 15.454 -2.406 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.370 15.093 -1.522 1.00 0.00 H new ATOM 0 HG SER A 60 4.070 13.959 0.042 1.00 0.00 H new ATOM 900 N GLY A 61 2.399 15.701 1.001 1.00 0.00 N ATOM 901 CA GLY A 61 1.073 15.633 1.588 1.00 0.00 C ATOM 902 C GLY A 61 0.168 14.657 0.862 1.00 0.00 C ATOM 903 O GLY A 61 -0.980 14.976 0.554 1.00 0.00 O ATOM 0 H GLY A 61 3.085 15.073 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.157 15.338 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.620 16.624 1.572 1.00 0.00 H new ATOM 907 N GLY A 62 0.686 13.464 0.588 1.00 0.00 N ATOM 908 CA GLY A 62 -0.097 12.457 -0.105 1.00 0.00 C ATOM 909 C GLY A 62 0.053 11.081 0.511 1.00 0.00 C ATOM 910 O GLY A 62 -0.878 10.274 0.481 1.00 0.00 O ATOM 0 H GLY A 62 1.633 13.177 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.148 12.745 -0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.209 12.419 -1.150 1.00 0.00 H new ATOM 914 N LEU A 63 1.227 10.809 1.070 1.00 0.00 N ATOM 915 CA LEU A 63 1.497 9.519 1.695 1.00 0.00 C ATOM 916 C LEU A 63 1.019 9.505 3.143 1.00 0.00 C ATOM 917 O LEU A 63 0.848 10.556 3.762 1.00 0.00 O ATOM 918 CB LEU A 63 2.993 9.204 1.636 1.00 0.00 C ATOM 919 CG LEU A 63 3.502 8.602 0.326 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.526 9.655 -0.771 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.885 7.998 0.518 1.00 0.00 C ATOM 0 H LEU A 63 2.007 11.465 1.103 1.00 0.00 H new ATOM 0 HA LEU A 63 0.950 8.754 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.545 10.124 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.231 8.514 2.446 1.00 0.00 H new ATOM 0 HG LEU A 63 2.820 7.807 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.891 9.209 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.519 10.041 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.186 10.471 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.231 7.574 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.579 8.773 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.838 7.213 1.273 1.00 0.00 H new ATOM 933 N LEU A 64 0.806 8.308 3.679 1.00 0.00 N ATOM 934 CA LEU A 64 0.350 8.157 5.056 1.00 0.00 C ATOM 935 C LEU A 64 0.723 6.783 5.605 1.00 0.00 C ATOM 936 O LEU A 64 0.787 5.793 4.877 1.00 0.00 O ATOM 937 CB LEU A 64 -1.164 8.357 5.138 1.00 0.00 C ATOM 938 CG LEU A 64 -1.678 9.748 4.765 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.197 9.754 4.688 1.00 0.00 C ATOM 940 CD2 LEU A 64 -1.189 10.784 5.767 1.00 0.00 C ATOM 0 H LEU A 64 0.942 7.428 3.181 1.00 0.00 H new ATOM 0 HA LEU A 64 0.844 8.917 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.643 7.627 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.485 8.133 6.155 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.284 10.008 3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.544 10.752 4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.526 9.042 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.611 9.472 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.564 11.768 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.553 10.528 6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.099 10.799 5.772 1.00 0.00 H new ATOM 952 N PRO A 65 0.972 6.720 6.922 1.00 0.00 N ATOM 953 CA PRO A 65 1.340 5.473 7.599 1.00 0.00 C ATOM 954 C PRO A 65 0.178 4.489 7.672 1.00 0.00 C ATOM 955 O PRO A 65 -0.818 4.738 8.351 1.00 0.00 O ATOM 956 CB PRO A 65 1.739 5.935 9.002 1.00 0.00 C ATOM 957 CG PRO A 65 1.000 7.212 9.205 1.00 0.00 C ATOM 958 CD PRO A 65 0.915 7.861 7.851 1.00 0.00 C ATOM 0 HA PRO A 65 2.131 4.940 7.071 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.466 5.196 9.755 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.816 6.085 9.078 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.006 7.027 9.612 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.520 7.856 9.914 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.008 8.428 7.735 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.739 8.555 7.686 1.00 0.00 H new ATOM 966 N GLY A 66 0.311 3.368 6.969 1.00 0.00 N ATOM 967 CA GLY A 66 -0.736 2.363 6.969 1.00 0.00 C ATOM 968 C GLY A 66 -1.201 2.010 5.571 1.00 0.00 C ATOM 969 O GLY A 66 -1.791 0.951 5.354 1.00 0.00 O ATOM 0 H GLY A 66 1.125 3.138 6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.372 1.463 7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.584 2.726 7.550 1.00 0.00 H new ATOM 973 N ASP A 67 -0.936 2.898 4.619 1.00 0.00 N ATOM 974 CA ASP A 67 -1.331 2.674 3.233 1.00 0.00 C ATOM 975 C ASP A 67 -0.398 1.675 2.556 1.00 0.00 C ATOM 976 O ASP A 67 0.781 1.583 2.896 1.00 0.00 O ATOM 977 CB ASP A 67 -1.331 3.995 2.461 1.00 0.00 C ATOM 978 CG ASP A 67 -2.343 4.984 3.006 1.00 0.00 C ATOM 979 OD1 ASP A 67 -3.255 4.555 3.743 1.00 0.00 O ATOM 980 OD2 ASP A 67 -2.222 6.187 2.695 1.00 0.00 O ATOM 0 H ASP A 67 -0.449 3.780 4.782 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.339 2.260 3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.336 4.437 2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.548 3.799 1.411 1.00 0.00 H new ATOM 985 N ARG A 68 -0.935 0.928 1.597 1.00 0.00 N ATOM 986 CA ARG A 68 -0.152 -0.067 0.875 1.00 0.00 C ATOM 987 C ARG A 68 0.414 0.520 -0.415 1.00 0.00 C ATOM 988 O ARG A 68 -0.325 1.048 -1.247 1.00 0.00 O ATOM 989 CB ARG A 68 -1.012 -1.291 0.556 1.00 0.00 C ATOM 990 CG ARG A 68 -0.234 -2.433 -0.080 1.00 0.00 C ATOM 991 CD ARG A 68 -1.115 -3.261 -1.002 1.00 0.00 C ATOM 992 NE ARG A 68 -0.345 -4.247 -1.755 1.00 0.00 N ATOM 993 CZ ARG A 68 -0.892 -5.132 -2.580 1.00 0.00 C ATOM 994 NH1 ARG A 68 -2.205 -5.155 -2.757 1.00 0.00 N ATOM 995 NH2 ARG A 68 -0.124 -5.997 -3.231 1.00 0.00 N ATOM 0 H ARG A 68 -1.909 0.993 1.302 1.00 0.00 H new ATOM 0 HA ARG A 68 0.679 -0.371 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.477 -1.647 1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.818 -0.994 -0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.608 -2.032 -0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.180 -3.072 0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.878 -3.770 -0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.635 -2.601 -1.696 1.00 0.00 H new ATOM 0 HE ARG A 68 0.669 -4.256 -1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.798 -4.492 -2.259 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.622 -5.836 -3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.887 -5.982 -3.098 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.545 -6.677 -3.865 1.00 0.00 H new ATOM 1009 N LEU A 69 1.730 0.424 -0.575 1.00 0.00 N ATOM 1010 CA LEU A 69 2.396 0.946 -1.764 1.00 0.00 C ATOM 1011 C LEU A 69 2.370 -0.077 -2.895 1.00 0.00 C ATOM 1012 O LEU A 69 2.882 -1.187 -2.754 1.00 0.00 O ATOM 1013 CB LEU A 69 3.841 1.326 -1.437 1.00 0.00 C ATOM 1014 CG LEU A 69 4.723 1.697 -2.629 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.099 2.837 -3.420 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.122 2.074 -2.161 1.00 0.00 C ATOM 0 H LEU A 69 2.356 -0.010 0.103 1.00 0.00 H new ATOM 0 HA LEU A 69 1.858 1.836 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.826 2.168 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.306 0.491 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 69 4.802 0.828 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.741 3.088 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.119 2.532 -3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.990 3.710 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.736 2.335 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.062 2.928 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.571 1.229 -1.638 1.00 0.00 H new ATOM 1028 N VAL A 70 1.772 0.307 -4.019 1.00 0.00 N ATOM 1029 CA VAL A 70 1.683 -0.575 -5.177 1.00 0.00 C ATOM 1030 C VAL A 70 3.014 -0.649 -5.915 1.00 0.00 C ATOM 1031 O VAL A 70 3.553 -1.734 -6.138 1.00 0.00 O ATOM 1032 CB VAL A 70 0.591 -0.106 -6.156 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.346 -1.158 -7.227 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.694 0.214 -5.408 1.00 0.00 C ATOM 0 H VAL A 70 1.342 1.222 -4.152 1.00 0.00 H new ATOM 0 HA VAL A 70 1.424 -1.565 -4.802 1.00 0.00 H new ATOM 0 HB VAL A 70 0.935 0.805 -6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.429 -0.809 -7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.267 -1.333 -7.783 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.024 -2.087 -6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.455 0.544 -6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.044 -0.678 -4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.505 1.006 -4.683 1.00 0.00 H new ATOM 1044 N SER A 71 3.542 0.511 -6.292 1.00 0.00 N ATOM 1045 CA SER A 71 4.810 0.578 -7.008 1.00 0.00 C ATOM 1046 C SER A 71 5.529 1.892 -6.719 1.00 0.00 C ATOM 1047 O SER A 71 4.996 2.768 -6.037 1.00 0.00 O ATOM 1048 CB SER A 71 4.578 0.431 -8.513 1.00 0.00 C ATOM 1049 OG SER A 71 4.202 -0.895 -8.844 1.00 0.00 O ATOM 0 H SER A 71 3.111 1.418 -6.113 1.00 0.00 H new ATOM 0 HA SER A 71 5.438 -0.243 -6.662 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.800 1.124 -8.834 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.486 0.700 -9.052 1.00 0.00 H new ATOM 0 HG SER A 71 4.075 -1.414 -8.022 1.00 0.00 H new ATOM 1055 N VAL A 72 6.744 2.022 -7.243 1.00 0.00 N ATOM 1056 CA VAL A 72 7.537 3.229 -7.043 1.00 0.00 C ATOM 1057 C VAL A 72 8.407 3.523 -8.260 1.00 0.00 C ATOM 1058 O VAL A 72 9.381 2.820 -8.523 1.00 0.00 O ATOM 1059 CB VAL A 72 8.437 3.109 -5.799 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.288 4.359 -5.633 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.597 2.858 -4.556 1.00 0.00 C ATOM 0 H VAL A 72 7.200 1.306 -7.809 1.00 0.00 H new ATOM 0 HA VAL A 72 6.834 4.049 -6.896 1.00 0.00 H new ATOM 0 HB VAL A 72 9.105 2.259 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.917 4.256 -4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.917 4.490 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.640 5.228 -5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.249 2.776 -3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.903 3.686 -4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.036 1.932 -4.677 1.00 0.00 H new ATOM 1071 N ASN A 73 8.047 4.568 -8.999 1.00 0.00 N ATOM 1072 CA ASN A 73 8.795 4.955 -10.190 1.00 0.00 C ATOM 1073 C ASN A 73 8.767 3.845 -11.236 1.00 0.00 C ATOM 1074 O ASN A 73 9.790 3.518 -11.835 1.00 0.00 O ATOM 1075 CB ASN A 73 10.243 5.288 -9.822 1.00 0.00 C ATOM 1076 CG ASN A 73 10.412 6.731 -9.386 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.506 7.324 -8.800 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.576 7.302 -9.672 1.00 0.00 N ATOM 0 H ASN A 73 7.243 5.161 -8.794 1.00 0.00 H new ATOM 0 HA ASN A 73 8.321 5.840 -10.614 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.572 4.628 -9.019 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.887 5.093 -10.679 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.748 8.271 -9.404 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.298 6.772 -10.159 1.00 0.00 H new ATOM 1085 N GLU A 74 7.587 3.270 -11.448 1.00 0.00 N ATOM 1086 CA GLU A 74 7.426 2.196 -12.422 1.00 0.00 C ATOM 1087 C GLU A 74 8.123 0.924 -11.949 1.00 0.00 C ATOM 1088 O GLU A 74 8.913 0.327 -12.681 1.00 0.00 O ATOM 1089 CB GLU A 74 7.985 2.622 -13.781 1.00 0.00 C ATOM 1090 CG GLU A 74 7.627 4.047 -14.167 1.00 0.00 C ATOM 1091 CD GLU A 74 7.802 4.311 -15.650 1.00 0.00 C ATOM 1092 OE1 GLU A 74 7.931 3.334 -16.416 1.00 0.00 O ATOM 1093 OE2 GLU A 74 7.810 5.496 -16.044 1.00 0.00 O ATOM 0 H GLU A 74 6.730 3.529 -10.959 1.00 0.00 H new ATOM 0 HA GLU A 74 6.361 1.989 -12.524 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.070 2.520 -13.766 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.612 1.942 -14.547 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.593 4.247 -13.886 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.251 4.740 -13.602 1.00 0.00 H new ATOM 1100 N TYR A 75 7.825 0.515 -10.720 1.00 0.00 N ATOM 1101 CA TYR A 75 8.425 -0.684 -10.147 1.00 0.00 C ATOM 1102 C TYR A 75 7.381 -1.514 -9.406 1.00 0.00 C ATOM 1103 O TYR A 75 6.896 -1.117 -8.346 1.00 0.00 O ATOM 1104 CB TYR A 75 9.562 -0.307 -9.197 1.00 0.00 C ATOM 1105 CG TYR A 75 10.896 -0.133 -9.888 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.705 -1.228 -10.165 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.347 1.127 -10.262 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.924 -1.073 -10.795 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.565 1.290 -10.894 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.350 0.187 -11.158 1.00 0.00 C ATOM 1111 OH TYR A 75 14.564 0.346 -11.786 1.00 0.00 O ATOM 0 H TYR A 75 7.172 0.996 -10.102 1.00 0.00 H new ATOM 0 HA TYR A 75 8.827 -1.284 -10.963 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.304 0.620 -8.685 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.656 -1.078 -8.432 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.375 -2.217 -9.883 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.736 1.993 -10.055 1.00 0.00 H new ATOM 0 HE1 TYR A 75 13.541 -1.935 -11.002 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.901 2.276 -11.180 1.00 0.00 H new ATOM 0 HH TYR A 75 14.713 1.296 -11.974 1.00 0.00 H new ATOM 1121 N CYS A 76 7.041 -2.667 -9.971 1.00 0.00 N ATOM 1122 CA CYS A 76 6.055 -3.554 -9.364 1.00 0.00 C ATOM 1123 C CYS A 76 6.560 -4.100 -8.033 1.00 0.00 C ATOM 1124 O CYS A 76 7.455 -4.945 -7.995 1.00 0.00 O ATOM 1125 CB CYS A 76 5.727 -4.710 -10.311 1.00 0.00 C ATOM 1126 SG CYS A 76 4.617 -5.950 -9.606 1.00 0.00 S ATOM 0 H CYS A 76 7.433 -3.009 -10.848 1.00 0.00 H new ATOM 0 HA CYS A 76 5.149 -2.976 -9.179 1.00 0.00 H new ATOM 0 HB2 CYS A 76 5.275 -4.306 -11.217 1.00 0.00 H new ATOM 0 HB3 CYS A 76 6.656 -5.197 -10.608 1.00 0.00 H new ATOM 0 HG CYS A 76 3.635 -5.356 -8.995 1.00 0.00 H new ATOM 1132 N LEU A 77 5.982 -3.610 -6.941 1.00 0.00 N ATOM 1133 CA LEU A 77 6.375 -4.047 -5.606 1.00 0.00 C ATOM 1134 C LEU A 77 5.357 -5.027 -5.033 1.00 0.00 C ATOM 1135 O LEU A 77 5.200 -5.134 -3.816 1.00 0.00 O ATOM 1136 CB LEU A 77 6.519 -2.841 -4.676 1.00 0.00 C ATOM 1137 CG LEU A 77 7.384 -1.692 -5.195 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.333 -0.511 -4.239 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.820 -2.154 -5.398 1.00 0.00 C ATOM 0 H LEU A 77 5.240 -2.910 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 77 7.336 -4.555 -5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.524 -2.452 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.937 -3.185 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 77 6.987 -1.371 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.955 0.297 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.304 -0.164 -4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.704 -0.818 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.421 -1.323 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.228 -2.503 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.841 -2.968 -6.123 1.00 0.00 H new ATOM 1151 N ASP A 78 4.669 -5.742 -5.916 1.00 0.00 N ATOM 1152 CA ASP A 78 3.668 -6.716 -5.498 1.00 0.00 C ATOM 1153 C ASP A 78 4.331 -7.992 -4.990 1.00 0.00 C ATOM 1154 O ASP A 78 5.126 -8.614 -5.694 1.00 0.00 O ATOM 1155 CB ASP A 78 2.728 -7.043 -6.659 1.00 0.00 C ATOM 1156 CG ASP A 78 1.874 -5.858 -7.065 1.00 0.00 C ATOM 1157 OD1 ASP A 78 0.926 -5.527 -6.322 1.00 0.00 O ATOM 1158 OD2 ASP A 78 2.155 -5.260 -8.124 1.00 0.00 O ATOM 0 H ASP A 78 4.786 -5.665 -6.926 1.00 0.00 H new ATOM 0 HA ASP A 78 3.089 -6.279 -4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.315 -7.374 -7.516 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.081 -7.873 -6.376 1.00 0.00 H new ATOM 1163 N ASN A 79 4.000 -8.377 -3.761 1.00 0.00 N ATOM 1164 CA ASN A 79 4.565 -9.578 -3.158 1.00 0.00 C ATOM 1165 C ASN A 79 6.089 -9.524 -3.162 1.00 0.00 C ATOM 1166 O ASN A 79 6.758 -10.533 -3.387 1.00 0.00 O ATOM 1167 CB ASN A 79 4.085 -10.824 -3.906 1.00 0.00 C ATOM 1168 CG ASN A 79 2.677 -11.228 -3.513 1.00 0.00 C ATOM 1169 OD1 ASN A 79 2.467 -12.281 -2.911 1.00 0.00 O ATOM 1170 ND2 ASN A 79 1.705 -10.391 -3.853 1.00 0.00 N ATOM 0 H ASN A 79 3.343 -7.874 -3.164 1.00 0.00 H new ATOM 0 HA ASN A 79 4.224 -9.630 -2.124 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.120 -10.636 -4.979 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.767 -11.650 -3.705 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.737 -10.610 -3.616 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.925 -9.529 -4.352 1.00 0.00 H new ATOM 1177 N THR A 80 6.634 -8.337 -2.911 1.00 0.00 N ATOM 1178 CA THR A 80 8.080 -8.150 -2.886 1.00 0.00 C ATOM 1179 C THR A 80 8.620 -8.229 -1.463 1.00 0.00 C ATOM 1180 O THR A 80 7.946 -7.837 -0.511 1.00 0.00 O ATOM 1181 CB THR A 80 8.481 -6.797 -3.502 1.00 0.00 C ATOM 1182 OG1 THR A 80 8.107 -6.756 -4.883 1.00 0.00 O ATOM 1183 CG2 THR A 80 9.979 -6.566 -3.371 1.00 0.00 C ATOM 0 H THR A 80 6.096 -7.491 -2.722 1.00 0.00 H new ATOM 0 HA THR A 80 8.514 -8.954 -3.480 1.00 0.00 H new ATOM 0 HB THR A 80 7.958 -6.008 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.730 -6.180 -5.374 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.239 -5.604 -3.813 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.257 -6.568 -2.317 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.516 -7.360 -3.889 1.00 0.00 H new ATOM 1191 N SER A 81 9.840 -8.738 -1.326 1.00 0.00 N ATOM 1192 CA SER A 81 10.470 -8.870 -0.017 1.00 0.00 C ATOM 1193 C SER A 81 10.954 -7.516 0.492 1.00 0.00 C ATOM 1194 O SER A 81 11.591 -6.756 -0.238 1.00 0.00 O ATOM 1195 CB SER A 81 11.643 -9.850 -0.090 1.00 0.00 C ATOM 1196 OG SER A 81 11.201 -11.151 -0.436 1.00 0.00 O ATOM 0 H SER A 81 10.412 -9.066 -2.105 1.00 0.00 H new ATOM 0 HA SER A 81 9.726 -9.255 0.680 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.367 -9.501 -0.826 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.156 -9.881 0.871 1.00 0.00 H new ATOM 0 HG SER A 81 11.970 -11.757 -0.478 1.00 0.00 H new ATOM 1202 N LEU A 82 10.648 -7.222 1.751 1.00 0.00 N ATOM 1203 CA LEU A 82 11.052 -5.959 2.361 1.00 0.00 C ATOM 1204 C LEU A 82 12.409 -5.508 1.832 1.00 0.00 C ATOM 1205 O LEU A 82 12.552 -4.392 1.333 1.00 0.00 O ATOM 1206 CB LEU A 82 11.106 -6.100 3.883 1.00 0.00 C ATOM 1207 CG LEU A 82 11.614 -4.880 4.652 1.00 0.00 C ATOM 1208 CD1 LEU A 82 10.650 -3.714 4.500 1.00 0.00 C ATOM 1209 CD2 LEU A 82 11.813 -5.221 6.122 1.00 0.00 C ATOM 0 H LEU A 82 10.122 -7.840 2.369 1.00 0.00 H new ATOM 0 HA LEU A 82 10.312 -5.204 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.105 -6.340 4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.744 -6.950 4.127 1.00 0.00 H new ATOM 0 HG LEU A 82 12.577 -4.586 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.028 -2.855 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.557 -3.454 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.673 -3.997 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.175 -4.341 6.654 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.864 -5.541 6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.543 -6.026 6.213 1.00 0.00 H new ATOM 1221 N ALA A 83 13.403 -6.384 1.943 1.00 0.00 N ATOM 1222 CA ALA A 83 14.748 -6.077 1.472 1.00 0.00 C ATOM 1223 C ALA A 83 14.721 -5.547 0.043 1.00 0.00 C ATOM 1224 O ALA A 83 15.412 -4.582 -0.283 1.00 0.00 O ATOM 1225 CB ALA A 83 15.633 -7.312 1.562 1.00 0.00 C ATOM 0 H ALA A 83 13.302 -7.312 2.355 1.00 0.00 H new ATOM 0 HA ALA A 83 15.162 -5.299 2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.634 -7.069 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.686 -7.647 2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.213 -8.107 0.945 1.00 0.00 H new ATOM 1231 N GLU A 84 13.920 -6.184 -0.806 1.00 0.00 N ATOM 1232 CA GLU A 84 13.806 -5.775 -2.201 1.00 0.00 C ATOM 1233 C GLU A 84 13.153 -4.401 -2.314 1.00 0.00 C ATOM 1234 O GLU A 84 13.614 -3.542 -3.065 1.00 0.00 O ATOM 1235 CB GLU A 84 12.995 -6.804 -2.992 1.00 0.00 C ATOM 1236 CG GLU A 84 13.841 -7.913 -3.594 1.00 0.00 C ATOM 1237 CD GLU A 84 13.209 -8.522 -4.831 1.00 0.00 C ATOM 1238 OE1 GLU A 84 12.509 -7.789 -5.561 1.00 0.00 O ATOM 1239 OE2 GLU A 84 13.415 -9.730 -5.069 1.00 0.00 O ATOM 0 H GLU A 84 13.341 -6.985 -0.552 1.00 0.00 H new ATOM 0 HA GLU A 84 14.811 -5.715 -2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.246 -7.246 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.458 -6.294 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.824 -7.517 -3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.996 -8.693 -2.848 1.00 0.00 H new ATOM 1246 N ALA A 85 12.077 -4.200 -1.561 1.00 0.00 N ATOM 1247 CA ALA A 85 11.361 -2.930 -1.575 1.00 0.00 C ATOM 1248 C ALA A 85 12.284 -1.775 -1.203 1.00 0.00 C ATOM 1249 O ALA A 85 12.296 -0.738 -1.866 1.00 0.00 O ATOM 1250 CB ALA A 85 10.172 -2.984 -0.626 1.00 0.00 C ATOM 0 H ALA A 85 11.682 -4.900 -0.933 1.00 0.00 H new ATOM 0 HA ALA A 85 10.997 -2.758 -2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.647 -2.029 -0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.494 -3.778 -0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.523 -3.183 0.386 1.00 0.00 H new ATOM 1256 N VAL A 86 13.058 -1.961 -0.138 1.00 0.00 N ATOM 1257 CA VAL A 86 13.985 -0.935 0.322 1.00 0.00 C ATOM 1258 C VAL A 86 15.046 -0.641 -0.732 1.00 0.00 C ATOM 1259 O VAL A 86 15.355 0.518 -1.010 1.00 0.00 O ATOM 1260 CB VAL A 86 14.680 -1.352 1.631 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.674 -0.288 2.071 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.651 -1.614 2.720 1.00 0.00 C ATOM 0 H VAL A 86 13.061 -2.813 0.422 1.00 0.00 H new ATOM 0 HA VAL A 86 13.397 -0.035 0.503 1.00 0.00 H new ATOM 0 HB VAL A 86 15.229 -2.276 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.155 -0.601 2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.430 -0.154 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.150 0.654 2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.160 -1.908 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.072 -0.708 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.982 -2.415 2.404 1.00 0.00 H new ATOM 1272 N GLU A 87 15.601 -1.698 -1.318 1.00 0.00 N ATOM 1273 CA GLU A 87 16.628 -1.552 -2.342 1.00 0.00 C ATOM 1274 C GLU A 87 16.088 -0.791 -3.549 1.00 0.00 C ATOM 1275 O GLU A 87 16.806 -0.012 -4.177 1.00 0.00 O ATOM 1276 CB GLU A 87 17.142 -2.926 -2.779 1.00 0.00 C ATOM 1277 CG GLU A 87 18.079 -3.573 -1.773 1.00 0.00 C ATOM 1278 CD GLU A 87 19.468 -2.966 -1.795 1.00 0.00 C ATOM 1279 OE1 GLU A 87 19.574 -1.730 -1.940 1.00 0.00 O ATOM 1280 OE2 GLU A 87 20.450 -3.727 -1.666 1.00 0.00 O ATOM 0 H GLU A 87 15.356 -2.664 -1.101 1.00 0.00 H new ATOM 0 HA GLU A 87 17.453 -0.982 -1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.291 -3.586 -2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.660 -2.824 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.658 -3.472 -0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.150 -4.640 -1.982 1.00 0.00 H new ATOM 1287 N ILE A 88 14.819 -1.023 -3.869 1.00 0.00 N ATOM 1288 CA ILE A 88 14.183 -0.360 -5.000 1.00 0.00 C ATOM 1289 C ILE A 88 14.073 1.143 -4.765 1.00 0.00 C ATOM 1290 O ILE A 88 14.318 1.944 -5.668 1.00 0.00 O ATOM 1291 CB ILE A 88 12.779 -0.930 -5.270 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.881 -2.329 -5.882 1.00 0.00 C ATOM 1293 CG2 ILE A 88 11.997 -0.001 -6.187 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.703 -3.219 -5.557 1.00 0.00 C ATOM 0 H ILE A 88 14.211 -1.665 -3.361 1.00 0.00 H new ATOM 0 HA ILE A 88 14.814 -0.544 -5.869 1.00 0.00 H new ATOM 0 HB ILE A 88 12.246 -1.006 -4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.969 -2.237 -6.965 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.795 -2.806 -5.527 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.006 -0.418 -6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.898 0.977 -5.716 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.525 0.104 -7.135 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.844 -4.194 -6.024 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.627 -3.341 -4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.788 -2.764 -5.936 1.00 0.00 H new ATOM 1306 N LEU A 89 13.704 1.520 -3.545 1.00 0.00 N ATOM 1307 CA LEU A 89 13.563 2.927 -3.190 1.00 0.00 C ATOM 1308 C LEU A 89 14.922 3.618 -3.149 1.00 0.00 C ATOM 1309 O LEU A 89 15.020 4.831 -3.333 1.00 0.00 O ATOM 1310 CB LEU A 89 12.868 3.064 -1.834 1.00 0.00 C ATOM 1311 CG LEU A 89 11.342 3.161 -1.868 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.763 2.962 -0.476 1.00 0.00 C ATOM 1313 CD2 LEU A 89 10.906 4.501 -2.442 1.00 0.00 C ATOM 0 H LEU A 89 13.497 0.871 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 89 12.954 3.409 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.144 2.208 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.257 3.952 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 89 10.961 2.370 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.676 3.034 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.046 1.978 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.151 3.730 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.817 4.553 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.298 5.307 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.290 4.604 -3.457 1.00 0.00 H new ATOM 1325 N LYS A 90 15.970 2.837 -2.909 1.00 0.00 N ATOM 1326 CA LYS A 90 17.325 3.371 -2.847 1.00 0.00 C ATOM 1327 C LYS A 90 17.944 3.445 -4.239 1.00 0.00 C ATOM 1328 O LYS A 90 18.740 4.339 -4.528 1.00 0.00 O ATOM 1329 CB LYS A 90 18.196 2.503 -1.936 1.00 0.00 C ATOM 1330 CG LYS A 90 17.836 2.615 -0.464 1.00 0.00 C ATOM 1331 CD LYS A 90 18.404 1.456 0.338 1.00 0.00 C ATOM 1332 CE LYS A 90 18.373 1.743 1.831 1.00 0.00 C ATOM 1333 NZ LYS A 90 19.468 1.040 2.554 1.00 0.00 N ATOM 0 H LYS A 90 15.906 1.831 -2.754 1.00 0.00 H new ATOM 0 HA LYS A 90 17.273 4.380 -2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.106 1.462 -2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.240 2.786 -2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.217 3.556 -0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.752 2.638 -0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.832 0.552 0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.430 1.264 0.025 1.00 0.00 H new ATOM 0 HE2 LYS A 90 18.460 2.817 1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 90 17.411 1.434 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 19.412 1.261 3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 19.371 0.014 2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 20.387 1.353 2.181 1.00 0.00 H new ATOM 1347 N ALA A 91 17.572 2.502 -5.099 1.00 0.00 N ATOM 1348 CA ALA A 91 18.088 2.464 -6.461 1.00 0.00 C ATOM 1349 C ALA A 91 17.361 3.465 -7.352 1.00 0.00 C ATOM 1350 O ALA A 91 17.830 3.798 -8.441 1.00 0.00 O ATOM 1351 CB ALA A 91 17.966 1.059 -7.032 1.00 0.00 C ATOM 0 H ALA A 91 16.915 1.754 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 91 19.141 2.742 -6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.355 1.045 -8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.537 0.365 -6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.918 0.759 -7.040 1.00 0.00 H new ATOM 1357 N VAL A 92 16.211 3.940 -6.884 1.00 0.00 N ATOM 1358 CA VAL A 92 15.419 4.904 -7.639 1.00 0.00 C ATOM 1359 C VAL A 92 16.135 6.246 -7.740 1.00 0.00 C ATOM 1360 O VAL A 92 16.700 6.751 -6.769 1.00 0.00 O ATOM 1361 CB VAL A 92 14.036 5.120 -6.995 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.171 5.867 -5.677 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.116 5.866 -7.949 1.00 0.00 C ATOM 0 H VAL A 92 15.807 3.673 -5.986 1.00 0.00 H new ATOM 0 HA VAL A 92 15.287 4.491 -8.639 1.00 0.00 H new ATOM 0 HB VAL A 92 13.594 4.145 -6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.184 6.010 -5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.793 5.289 -4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.633 6.838 -5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.143 6.010 -7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.550 6.836 -8.189 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.994 5.287 -8.864 1.00 0.00 H new ATOM 1373 N PRO A 93 16.113 6.839 -8.942 1.00 0.00 N ATOM 1374 CA PRO A 93 16.755 8.132 -9.199 1.00 0.00 C ATOM 1375 C PRO A 93 16.034 9.285 -8.508 1.00 0.00 C ATOM 1376 O PRO A 93 14.840 9.216 -8.216 1.00 0.00 O ATOM 1377 CB PRO A 93 16.661 8.278 -10.720 1.00 0.00 C ATOM 1378 CG PRO A 93 15.488 7.447 -11.109 1.00 0.00 C ATOM 1379 CD PRO A 93 15.458 6.295 -10.144 1.00 0.00 C ATOM 0 HA PRO A 93 17.775 8.164 -8.816 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.522 9.320 -11.010 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.572 7.930 -11.208 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.565 8.025 -11.055 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.584 7.094 -12.136 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.438 5.973 -9.935 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.992 5.429 -10.535 1.00 0.00 H new ATOM 1387 N PRO A 94 16.775 10.370 -8.239 1.00 0.00 N ATOM 1388 CA PRO A 94 16.226 11.559 -7.580 1.00 0.00 C ATOM 1389 C PRO A 94 15.256 12.322 -8.474 1.00 0.00 C ATOM 1390 O PRO A 94 15.092 11.996 -9.649 1.00 0.00 O ATOM 1391 CB PRO A 94 17.467 12.408 -7.290 1.00 0.00 C ATOM 1392 CG PRO A 94 18.465 11.981 -8.310 1.00 0.00 C ATOM 1393 CD PRO A 94 18.204 10.521 -8.558 1.00 0.00 C ATOM 0 HA PRO A 94 15.650 11.303 -6.691 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.247 13.472 -7.373 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.836 12.237 -6.279 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.356 12.558 -9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.482 12.140 -7.952 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.416 10.245 -9.591 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.826 9.889 -7.925 1.00 0.00 H new ATOM 1401 N GLY A 95 14.614 13.341 -7.910 1.00 0.00 N ATOM 1402 CA GLY A 95 13.667 14.135 -8.672 1.00 0.00 C ATOM 1403 C GLY A 95 12.245 13.627 -8.538 1.00 0.00 C ATOM 1404 O GLY A 95 11.941 12.839 -7.642 1.00 0.00 O ATOM 0 H GLY A 95 14.733 13.631 -6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.713 15.171 -8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.955 14.128 -9.723 1.00 0.00 H new ATOM 1408 N LEU A 96 11.371 14.081 -9.430 1.00 0.00 N ATOM 1409 CA LEU A 96 9.972 13.669 -9.407 1.00 0.00 C ATOM 1410 C LEU A 96 9.850 12.165 -9.188 1.00 0.00 C ATOM 1411 O LEU A 96 10.447 11.370 -9.915 1.00 0.00 O ATOM 1412 CB LEU A 96 9.283 14.063 -10.715 1.00 0.00 C ATOM 1413 CG LEU A 96 7.754 14.078 -10.690 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.214 12.723 -10.258 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.246 15.175 -9.766 1.00 0.00 C ATOM 0 H LEU A 96 11.606 14.734 -10.177 1.00 0.00 H new ATOM 0 HA LEU A 96 9.483 14.179 -8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.632 15.055 -11.001 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.607 13.374 -11.495 1.00 0.00 H new ATOM 0 HG LEU A 96 7.396 14.285 -11.698 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.124 12.753 -10.246 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.549 11.958 -10.958 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.582 12.486 -9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.156 15.171 -9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.614 14.999 -8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.603 16.142 -10.119 1.00 0.00 H new ATOM 1427 N VAL A 97 9.072 11.779 -8.181 1.00 0.00 N ATOM 1428 CA VAL A 97 8.869 10.370 -7.868 1.00 0.00 C ATOM 1429 C VAL A 97 7.397 9.989 -7.979 1.00 0.00 C ATOM 1430 O VAL A 97 6.570 10.420 -7.175 1.00 0.00 O ATOM 1431 CB VAL A 97 9.370 10.032 -6.451 1.00 0.00 C ATOM 1432 CG1 VAL A 97 9.068 8.581 -6.110 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.859 10.318 -6.331 1.00 0.00 C ATOM 0 H VAL A 97 8.572 12.423 -7.568 1.00 0.00 H new ATOM 0 HA VAL A 97 9.445 9.798 -8.595 1.00 0.00 H new ATOM 0 HB VAL A 97 8.843 10.665 -5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.429 8.361 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.992 8.413 -6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.566 7.928 -6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.196 10.074 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.405 9.712 -7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.044 11.374 -6.529 1.00 0.00 H new ATOM 1443 N HIS A 98 7.076 9.177 -8.981 1.00 0.00 N ATOM 1444 CA HIS A 98 5.702 8.735 -9.197 1.00 0.00 C ATOM 1445 C HIS A 98 5.471 7.358 -8.584 1.00 0.00 C ATOM 1446 O HIS A 98 5.968 6.350 -9.089 1.00 0.00 O ATOM 1447 CB HIS A 98 5.385 8.701 -10.692 1.00 0.00 C ATOM 1448 CG HIS A 98 5.068 10.046 -11.269 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.737 10.579 -12.350 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.145 10.969 -10.909 1.00 0.00 C ATOM 1451 CE1 HIS A 98 5.241 11.771 -12.630 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.273 12.031 -11.770 1.00 0.00 N ATOM 0 H HIS A 98 7.748 8.812 -9.656 1.00 0.00 H new ATOM 0 HA HIS A 98 5.036 9.446 -8.708 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.236 8.278 -11.226 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.539 8.034 -10.860 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.439 10.885 -10.096 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.571 12.422 -13.426 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.712 12.882 -11.749 1.00 0.00 H new ATOM 1461 N LEU A 99 4.715 7.320 -7.492 1.00 0.00 N ATOM 1462 CA LEU A 99 4.419 6.066 -6.809 1.00 0.00 C ATOM 1463 C LEU A 99 2.938 5.977 -6.452 1.00 0.00 C ATOM 1464 O LEU A 99 2.317 6.973 -6.084 1.00 0.00 O ATOM 1465 CB LEU A 99 5.269 5.938 -5.544 1.00 0.00 C ATOM 1466 CG LEU A 99 5.290 7.159 -4.624 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.129 7.109 -3.643 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.615 7.244 -3.881 1.00 0.00 C ATOM 0 H LEU A 99 4.296 8.144 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 99 4.661 5.246 -7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.908 5.083 -4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.294 5.713 -5.840 1.00 0.00 H new ATOM 0 HG LEU A 99 5.182 8.054 -5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.161 7.986 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.188 7.097 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.205 6.207 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.612 8.119 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.753 6.346 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.430 7.329 -4.600 1.00 0.00 H new ATOM 1480 N GLY A 100 2.379 4.776 -6.563 1.00 0.00 N ATOM 1481 CA GLY A 100 0.977 4.578 -6.246 1.00 0.00 C ATOM 1482 C GLY A 100 0.752 4.259 -4.781 1.00 0.00 C ATOM 1483 O GLY A 100 1.628 3.699 -4.120 1.00 0.00 O ATOM 0 H GLY A 100 2.872 3.936 -6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.418 5.476 -6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.581 3.766 -6.856 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.422 4.616 -4.273 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.758 4.364 -2.877 1.00 0.00 C ATOM 1489 C ILE A 101 -2.155 3.767 -2.746 1.00 0.00 C ATOM 1490 O ILE A 101 -2.997 3.935 -3.629 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.682 5.654 -2.038 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.623 6.399 -2.325 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.799 5.330 -0.557 1.00 0.00 C ATOM 1494 CD1 ILE A 101 1.857 5.651 -1.871 1.00 0.00 C ATOM 0 H ILE A 101 -1.157 5.081 -4.807 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.025 3.651 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.515 6.300 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.696 6.588 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.594 7.370 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.744 6.252 0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.753 4.838 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.016 4.668 -0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.745 6.238 -2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.806 5.485 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 101 1.910 4.691 -2.384 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.393 3.071 -1.641 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.690 2.450 -1.393 1.00 0.00 C ATOM 1508 C CYS A 102 -4.250 2.881 -0.042 1.00 0.00 C ATOM 1509 O CYS A 102 -3.801 2.415 1.005 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.566 0.926 -1.445 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.016 0.284 -3.044 1.00 0.00 S ATOM 0 H CYS A 102 -1.706 2.922 -0.902 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.378 2.779 -2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.865 0.603 -0.675 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.533 0.485 -1.202 1.00 0.00 H new ATOM 0 HG CYS A 102 -2.940 -1.013 -2.988 1.00 0.00 H new ATOM 1517 N SER A 103 -5.234 3.774 -0.073 1.00 0.00 N ATOM 1518 CA SER A 103 -5.853 4.272 1.149 1.00 0.00 C ATOM 1519 C SER A 103 -6.324 3.119 2.029 1.00 0.00 C ATOM 1520 O SER A 103 -7.301 2.441 1.713 1.00 0.00 O ATOM 1521 CB SER A 103 -7.033 5.187 0.813 1.00 0.00 C ATOM 1522 OG SER A 103 -7.419 5.956 1.938 1.00 0.00 O ATOM 0 H SER A 103 -5.620 4.167 -0.932 1.00 0.00 H new ATOM 0 HA SER A 103 -5.105 4.843 1.698 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.761 5.850 -0.008 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.877 4.587 0.472 1.00 0.00 H new ATOM 0 HG SER A 103 -8.173 6.533 1.697 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.621 2.902 3.137 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.980 1.829 4.046 1.00 0.00 C ATOM 1530 C GLY A 104 -6.267 2.330 5.448 1.00 0.00 C ATOM 1531 O GLY A 104 -6.754 3.443 5.645 1.00 0.00 O ATOM 0 H GLY A 104 -4.809 3.450 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.858 1.310 3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.170 1.101 4.082 1.00 0.00 H new