USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 564 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -113:sc= -0.039 (180deg=-1.25) USER MOD Single : A 26 GLN : amide:sc= 1.31 K(o=1.3,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.06) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 78:sc= 0.359 USER MOD Single : A 42 SER OG : rot -50:sc= 0.207 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.599 K(o=-0.6,f=-0.018) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.446 K(o=0.45,f=-1.9) USER MOD Single : A 53 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.15) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 1.07 K(o=1.1,f=-0.34) USER MOD Single : A 67 ASN : amide:sc= 0.515 K(o=0.51,f=-0.73) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.0779 K(o=0.078,f=-1.9!) USER MOD Single : A 73 THR OG1 : rot 62:sc= 1.71 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ILE A 7 11.550 -5.366 -15.209 1.00 0.00 N ATOM 92 CA ILE A 7 11.684 -5.656 -13.771 1.00 0.00 C ATOM 93 C ILE A 7 13.116 -5.400 -13.281 1.00 0.00 C ATOM 94 O ILE A 7 14.083 -5.804 -13.932 1.00 0.00 O ATOM 95 CB ILE A 7 11.200 -7.094 -13.454 1.00 0.00 C ATOM 96 CG1 ILE A 7 9.802 -7.364 -14.067 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.194 -7.330 -11.932 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.181 -8.727 -13.740 1.00 0.00 C ATOM 0 HA ILE A 7 11.040 -4.970 -13.221 1.00 0.00 H new ATOM 0 HB ILE A 7 11.896 -7.798 -13.909 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.120 -6.584 -13.727 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.877 -7.271 -15.150 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.852 -8.344 -11.722 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.202 -7.199 -11.539 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.523 -6.615 -11.456 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.206 -8.807 -14.220 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.832 -9.521 -14.107 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.063 -8.824 -12.661 1.00 0.00 H new ATOM 110 N VAL A 8 13.255 -4.754 -12.117 1.00 0.00 N ATOM 111 CA VAL A 8 14.534 -4.385 -11.486 1.00 0.00 C ATOM 112 C VAL A 8 14.564 -4.740 -9.992 1.00 0.00 C ATOM 113 O VAL A 8 13.631 -4.439 -9.248 1.00 0.00 O ATOM 114 CB VAL A 8 14.863 -2.892 -11.702 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.238 -2.616 -13.163 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.747 -1.918 -11.297 1.00 0.00 C ATOM 0 H VAL A 8 12.449 -4.461 -11.565 1.00 0.00 H new ATOM 0 HA VAL A 8 15.307 -4.975 -11.978 1.00 0.00 H new ATOM 0 HB VAL A 8 15.706 -2.707 -11.036 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.465 -1.557 -13.287 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.113 -3.208 -13.432 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.404 -2.886 -13.810 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.071 -0.895 -11.486 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.851 -2.128 -11.881 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.526 -2.039 -10.237 1.00 0.00 H new ATOM 126 N LYS A 9 15.649 -5.382 -9.538 1.00 0.00 N ATOM 127 CA LYS A 9 15.882 -5.721 -8.123 1.00 0.00 C ATOM 128 C LYS A 9 16.304 -4.486 -7.316 1.00 0.00 C ATOM 129 O LYS A 9 17.130 -3.705 -7.786 1.00 0.00 O ATOM 130 CB LYS A 9 16.920 -6.855 -8.040 1.00 0.00 C ATOM 131 CG LYS A 9 17.047 -7.446 -6.626 1.00 0.00 C ATOM 132 CD LYS A 9 18.017 -8.634 -6.622 1.00 0.00 C ATOM 133 CE LYS A 9 18.131 -9.229 -5.213 1.00 0.00 C ATOM 134 NZ LYS A 9 19.050 -10.398 -5.189 1.00 0.00 N ATOM 0 H LYS A 9 16.404 -5.687 -10.153 1.00 0.00 H new ATOM 0 HA LYS A 9 14.952 -6.072 -7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.642 -7.647 -8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.891 -6.476 -8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.400 -6.679 -5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.068 -7.768 -6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.670 -9.397 -7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.999 -8.311 -6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.492 -8.467 -4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.144 -9.533 -4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.105 -10.777 -4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.691 -11.135 -5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.997 -10.101 -5.499 1.00 0.00 H new ATOM 148 N VAL A 10 15.779 -4.330 -6.102 1.00 0.00 N ATOM 149 CA VAL A 10 16.051 -3.200 -5.193 1.00 0.00 C ATOM 150 C VAL A 10 16.191 -3.657 -3.737 1.00 0.00 C ATOM 151 O VAL A 10 15.674 -4.706 -3.347 1.00 0.00 O ATOM 152 CB VAL A 10 14.972 -2.095 -5.299 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.839 -1.546 -6.723 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.586 -2.539 -4.811 1.00 0.00 C ATOM 0 H VAL A 10 15.129 -5.007 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 10 17.003 -2.778 -5.513 1.00 0.00 H new ATOM 0 HB VAL A 10 15.330 -1.308 -4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.070 -0.774 -6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.791 -1.119 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.562 -2.354 -7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.882 -1.713 -4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.244 -3.385 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.646 -2.834 -3.764 1.00 0.00 H new ATOM 164 N ALA A 11 16.873 -2.845 -2.927 1.00 0.00 N ATOM 165 CA ALA A 11 16.927 -2.971 -1.468 1.00 0.00 C ATOM 166 C ALA A 11 16.190 -1.789 -0.818 1.00 0.00 C ATOM 167 O ALA A 11 16.258 -0.674 -1.332 1.00 0.00 O ATOM 168 CB ALA A 11 18.390 -3.041 -1.015 1.00 0.00 C ATOM 0 H ALA A 11 17.419 -2.058 -3.278 1.00 0.00 H new ATOM 0 HA ALA A 11 16.430 -3.889 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.431 -3.135 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.871 -3.905 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.909 -2.133 -1.320 1.00 0.00 H new ATOM 174 N ILE A 12 15.490 -2.011 0.298 1.00 0.00 N ATOM 175 CA ILE A 12 14.630 -1.003 0.938 1.00 0.00 C ATOM 176 C ILE A 12 14.944 -0.897 2.433 1.00 0.00 C ATOM 177 O ILE A 12 14.896 -1.888 3.161 1.00 0.00 O ATOM 178 CB ILE A 12 13.130 -1.284 0.686 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.844 -1.573 -0.809 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.280 -0.092 1.185 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.409 -2.010 -1.084 1.00 0.00 C ATOM 0 H ILE A 12 15.502 -2.904 0.790 1.00 0.00 H new ATOM 0 HA ILE A 12 14.848 -0.038 0.480 1.00 0.00 H new ATOM 0 HB ILE A 12 12.855 -2.178 1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.060 -0.677 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.524 -2.350 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.225 -0.297 1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.444 0.050 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.571 0.812 0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.283 -2.195 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.194 -2.924 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.723 -1.224 -0.768 1.00 0.00 H new ATOM 193 N GLU A 13 15.250 0.313 2.891 1.00 0.00 N ATOM 194 CA GLU A 13 15.487 0.659 4.297 1.00 0.00 C ATOM 195 C GLU A 13 14.190 1.009 5.056 1.00 0.00 C ATOM 196 O GLU A 13 13.291 1.664 4.517 1.00 0.00 O ATOM 197 CB GLU A 13 16.458 1.850 4.384 1.00 0.00 C ATOM 198 CG GLU A 13 17.853 1.601 3.784 1.00 0.00 C ATOM 199 CD GLU A 13 18.672 0.516 4.515 1.00 0.00 C ATOM 200 OE1 GLU A 13 18.400 0.224 5.705 1.00 0.00 O ATOM 201 OE2 GLU A 13 19.624 -0.026 3.903 1.00 0.00 O ATOM 0 H GLU A 13 15.345 1.116 2.270 1.00 0.00 H new ATOM 0 HA GLU A 13 15.916 -0.224 4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.008 2.703 3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.575 2.128 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.740 1.313 2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.414 2.535 3.798 1.00 0.00 H new ATOM 208 N TRP A 14 14.134 0.637 6.340 1.00 0.00 N ATOM 209 CA TRP A 14 13.103 1.039 7.308 1.00 0.00 C ATOM 210 C TRP A 14 13.661 0.971 8.751 1.00 0.00 C ATOM 211 O TRP A 14 14.449 0.059 9.035 1.00 0.00 O ATOM 212 CB TRP A 14 11.865 0.147 7.148 1.00 0.00 C ATOM 213 CG TRP A 14 10.742 0.411 8.104 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.415 -0.366 9.159 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.823 1.547 8.148 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.355 0.196 9.844 1.00 0.00 N ATOM 217 CE2 TRP A 14 8.960 1.387 9.275 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.670 2.725 7.384 1.00 0.00 C ATOM 219 CZ2 TRP A 14 7.985 2.337 9.615 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.701 3.689 7.722 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.857 3.496 8.831 1.00 0.00 C ATOM 0 H TRP A 14 14.835 0.021 6.752 1.00 0.00 H new ATOM 0 HA TRP A 14 12.811 2.071 7.114 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.487 0.262 6.132 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.173 -0.893 7.258 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.908 -1.289 9.427 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.919 -0.219 10.668 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.306 2.889 6.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.341 2.179 10.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.605 4.584 7.125 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.112 4.237 9.079 1.00 0.00 H new ATOM 232 N PRO A 15 13.309 1.891 9.677 1.00 0.00 N ATOM 233 CA PRO A 15 13.901 1.933 11.018 1.00 0.00 C ATOM 234 C PRO A 15 13.606 0.680 11.858 1.00 0.00 C ATOM 235 O PRO A 15 12.492 0.149 11.845 1.00 0.00 O ATOM 236 CB PRO A 15 13.363 3.204 11.686 1.00 0.00 C ATOM 237 CG PRO A 15 12.995 4.092 10.500 1.00 0.00 C ATOM 238 CD PRO A 15 12.472 3.069 9.497 1.00 0.00 C ATOM 0 HA PRO A 15 14.988 1.950 10.940 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.498 2.993 12.315 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.113 3.673 12.323 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.239 4.832 10.762 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.856 4.639 10.116 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.423 2.838 9.682 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.540 3.448 8.477 1.00 0.00 H new ATOM 246 N GLY A 16 14.606 0.215 12.615 1.00 0.00 N ATOM 247 CA GLY A 16 14.492 -0.954 13.500 1.00 0.00 C ATOM 248 C GLY A 16 14.361 -2.310 12.785 1.00 0.00 C ATOM 249 O GLY A 16 13.995 -3.297 13.427 1.00 0.00 O ATOM 0 H GLY A 16 15.531 0.645 12.632 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.369 -0.986 14.147 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.625 -0.817 14.146 1.00 0.00 H new ATOM 253 N ALA A 17 14.643 -2.375 11.478 1.00 0.00 N ATOM 254 CA ALA A 17 14.512 -3.571 10.643 1.00 0.00 C ATOM 255 C ALA A 17 15.712 -3.774 9.698 1.00 0.00 C ATOM 256 O ALA A 17 16.416 -2.826 9.336 1.00 0.00 O ATOM 257 CB ALA A 17 13.196 -3.482 9.858 1.00 0.00 C ATOM 0 H ALA A 17 14.981 -1.566 10.956 1.00 0.00 H new ATOM 0 HA ALA A 17 14.499 -4.444 11.295 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.086 -4.367 9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.360 -3.424 10.555 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.207 -2.592 9.229 1.00 0.00 H new ATOM 263 N TYR A 18 15.927 -5.021 9.272 1.00 0.00 N ATOM 264 CA TYR A 18 16.895 -5.374 8.226 1.00 0.00 C ATOM 265 C TYR A 18 16.441 -4.859 6.840 1.00 0.00 C ATOM 266 O TYR A 18 15.228 -4.782 6.597 1.00 0.00 O ATOM 267 CB TYR A 18 17.085 -6.897 8.196 1.00 0.00 C ATOM 268 CG TYR A 18 17.571 -7.495 9.505 1.00 0.00 C ATOM 269 CD1 TYR A 18 18.915 -7.329 9.896 1.00 0.00 C ATOM 270 CD2 TYR A 18 16.682 -8.210 10.334 1.00 0.00 C ATOM 271 CE1 TYR A 18 19.371 -7.872 11.113 1.00 0.00 C ATOM 272 CE2 TYR A 18 17.136 -8.754 11.552 1.00 0.00 C ATOM 273 CZ TYR A 18 18.481 -8.586 11.945 1.00 0.00 C ATOM 274 OH TYR A 18 18.911 -9.117 13.125 1.00 0.00 O ATOM 0 H TYR A 18 15.427 -5.827 9.648 1.00 0.00 H new ATOM 0 HA TYR A 18 17.845 -4.894 8.459 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.137 -7.364 7.927 1.00 0.00 H new ATOM 0 HB3 TYR A 18 17.798 -7.147 7.410 1.00 0.00 H new ATOM 0 HD1 TYR A 18 19.597 -6.784 9.261 1.00 0.00 H new ATOM 0 HD2 TYR A 18 15.652 -8.341 10.035 1.00 0.00 H new ATOM 0 HE1 TYR A 18 20.401 -7.742 11.410 1.00 0.00 H new ATOM 0 HE2 TYR A 18 16.453 -9.300 12.186 1.00 0.00 H new ATOM 0 HH TYR A 18 18.166 -9.574 13.569 1.00 0.00 H new ATOM 284 N PRO A 19 17.364 -4.545 5.905 1.00 0.00 N ATOM 285 CA PRO A 19 17.007 -4.097 4.557 1.00 0.00 C ATOM 286 C PRO A 19 16.204 -5.161 3.793 1.00 0.00 C ATOM 287 O PRO A 19 16.644 -6.308 3.661 1.00 0.00 O ATOM 288 CB PRO A 19 18.325 -3.757 3.849 1.00 0.00 C ATOM 289 CG PRO A 19 19.303 -3.525 4.999 1.00 0.00 C ATOM 290 CD PRO A 19 18.809 -4.487 6.076 1.00 0.00 C ATOM 0 HA PRO A 19 16.355 -3.224 4.600 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.653 -4.570 3.202 1.00 0.00 H new ATOM 0 HB3 PRO A 19 18.226 -2.871 3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.330 -3.743 4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.283 -2.491 5.343 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.259 -5.473 5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.073 -4.132 7.072 1.00 0.00 H new ATOM 298 N LYS A 20 15.027 -4.789 3.277 1.00 0.00 N ATOM 299 CA LYS A 20 14.157 -5.679 2.494 1.00 0.00 C ATOM 300 C LYS A 20 14.599 -5.709 1.030 1.00 0.00 C ATOM 301 O LYS A 20 14.510 -4.697 0.337 1.00 0.00 O ATOM 302 CB LYS A 20 12.687 -5.253 2.670 1.00 0.00 C ATOM 303 CG LYS A 20 11.725 -6.068 1.793 1.00 0.00 C ATOM 304 CD LYS A 20 10.257 -5.825 2.180 1.00 0.00 C ATOM 305 CE LYS A 20 9.268 -6.500 1.216 1.00 0.00 C ATOM 306 NZ LYS A 20 9.412 -7.983 1.175 1.00 0.00 N ATOM 0 H LYS A 20 14.646 -3.850 3.392 1.00 0.00 H new ATOM 0 HA LYS A 20 14.244 -6.701 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.403 -5.366 3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.588 -4.195 2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.874 -5.803 0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.956 -7.129 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.085 -6.198 3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.064 -4.752 2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.250 -6.248 1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.416 -6.099 0.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.720 -8.381 0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.373 -8.230 0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.244 -8.374 2.124 1.00 0.00 H new ATOM 320 N LEU A 21 15.060 -6.866 0.557 1.00 0.00 N ATOM 321 CA LEU A 21 15.310 -7.126 -0.864 1.00 0.00 C ATOM 322 C LEU A 21 13.995 -7.501 -1.564 1.00 0.00 C ATOM 323 O LEU A 21 13.224 -8.316 -1.048 1.00 0.00 O ATOM 324 CB LEU A 21 16.359 -8.243 -1.017 1.00 0.00 C ATOM 325 CG LEU A 21 17.775 -7.845 -0.559 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.664 -9.086 -0.471 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.431 -6.865 -1.532 1.00 0.00 C ATOM 0 H LEU A 21 15.274 -7.662 1.157 1.00 0.00 H new ATOM 0 HA LEU A 21 15.703 -6.225 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.035 -9.112 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.399 -8.548 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 21 17.673 -7.368 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.663 -8.796 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.239 -9.788 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.724 -9.561 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.428 -6.609 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.507 -7.326 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.827 -5.961 -1.600 1.00 0.00 H new ATOM 339 N MET A 22 13.737 -6.919 -2.736 1.00 0.00 N ATOM 340 CA MET A 22 12.544 -7.185 -3.556 1.00 0.00 C ATOM 341 C MET A 22 12.773 -6.804 -5.031 1.00 0.00 C ATOM 342 O MET A 22 13.842 -6.317 -5.396 1.00 0.00 O ATOM 343 CB MET A 22 11.331 -6.451 -2.951 1.00 0.00 C ATOM 344 CG MET A 22 11.349 -4.933 -3.157 1.00 0.00 C ATOM 345 SD MET A 22 10.096 -4.273 -4.290 1.00 0.00 S ATOM 346 CE MET A 22 8.598 -4.727 -3.374 1.00 0.00 C ATOM 0 H MET A 22 14.364 -6.232 -3.155 1.00 0.00 H new ATOM 0 HA MET A 22 12.340 -8.256 -3.547 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.419 -6.855 -3.391 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.289 -6.661 -1.882 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.223 -4.453 -2.187 1.00 0.00 H new ATOM 0 HG3 MET A 22 12.333 -4.648 -3.528 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.045 -5.483 -3.932 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.875 -5.127 -2.399 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.972 -3.845 -3.240 1.00 0.00 H new ATOM 356 N GLU A 23 11.773 -7.015 -5.890 1.00 0.00 N ATOM 357 CA GLU A 23 11.822 -6.681 -7.318 1.00 0.00 C ATOM 358 C GLU A 23 10.651 -5.770 -7.719 1.00 0.00 C ATOM 359 O GLU A 23 9.481 -6.142 -7.596 1.00 0.00 O ATOM 360 CB GLU A 23 11.847 -7.969 -8.156 1.00 0.00 C ATOM 361 CG GLU A 23 13.217 -8.664 -8.114 1.00 0.00 C ATOM 362 CD GLU A 23 13.195 -10.085 -8.716 1.00 0.00 C ATOM 363 OE1 GLU A 23 12.424 -10.353 -9.670 1.00 0.00 O ATOM 364 OE2 GLU A 23 13.974 -10.949 -8.243 1.00 0.00 O ATOM 0 H GLU A 23 10.886 -7.432 -5.607 1.00 0.00 H new ATOM 0 HA GLU A 23 12.738 -6.125 -7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.083 -8.654 -7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.593 -7.733 -9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.942 -8.057 -8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.558 -8.719 -7.080 1.00 0.00 H new ATOM 371 N ILE A 24 10.979 -4.574 -8.218 1.00 0.00 N ATOM 372 CA ILE A 24 10.030 -3.598 -8.761 1.00 0.00 C ATOM 373 C ILE A 24 9.778 -3.913 -10.238 1.00 0.00 C ATOM 374 O ILE A 24 10.675 -3.795 -11.073 1.00 0.00 O ATOM 375 CB ILE A 24 10.549 -2.154 -8.528 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.439 -1.840 -7.016 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.794 -1.106 -9.374 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.882 -0.435 -6.597 1.00 0.00 C ATOM 0 H ILE A 24 11.945 -4.248 -8.256 1.00 0.00 H new ATOM 0 HA ILE A 24 9.074 -3.667 -8.242 1.00 0.00 H new ATOM 0 HB ILE A 24 11.588 -2.097 -8.852 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.403 -1.981 -6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.037 -2.568 -6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.199 -0.114 -9.171 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.915 -1.337 -10.432 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.735 -1.125 -9.117 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.764 -0.322 -5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.929 -0.289 -6.864 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.270 0.307 -7.109 1.00 0.00 H new ATOM 390 N ASP A 25 8.547 -4.309 -10.562 1.00 0.00 N ATOM 391 CA ASP A 25 8.061 -4.428 -11.937 1.00 0.00 C ATOM 392 C ASP A 25 7.468 -3.084 -12.378 1.00 0.00 C ATOM 393 O ASP A 25 6.479 -2.616 -11.808 1.00 0.00 O ATOM 394 CB ASP A 25 7.035 -5.569 -12.019 1.00 0.00 C ATOM 395 CG ASP A 25 6.444 -5.804 -13.422 1.00 0.00 C ATOM 396 OD1 ASP A 25 5.668 -6.774 -13.575 1.00 0.00 O ATOM 397 OD2 ASP A 25 6.742 -5.028 -14.358 1.00 0.00 O ATOM 0 H ASP A 25 7.847 -4.561 -9.864 1.00 0.00 H new ATOM 0 HA ASP A 25 8.879 -4.672 -12.615 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.509 -6.490 -11.680 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.220 -5.357 -11.327 1.00 0.00 H new ATOM 402 N GLN A 26 8.053 -2.456 -13.398 1.00 0.00 N ATOM 403 CA GLN A 26 7.617 -1.148 -13.894 1.00 0.00 C ATOM 404 C GLN A 26 6.212 -1.171 -14.536 1.00 0.00 C ATOM 405 O GLN A 26 5.606 -0.110 -14.707 1.00 0.00 O ATOM 406 CB GLN A 26 8.675 -0.554 -14.838 1.00 0.00 C ATOM 407 CG GLN A 26 10.077 -0.373 -14.212 1.00 0.00 C ATOM 408 CD GLN A 26 10.194 0.755 -13.182 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.235 1.228 -12.586 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.391 1.240 -12.937 1.00 0.00 N ATOM 0 H GLN A 26 8.848 -2.842 -13.907 1.00 0.00 H new ATOM 0 HA GLN A 26 7.521 -0.494 -13.027 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.764 -1.199 -15.712 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.323 0.415 -15.191 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.368 -1.309 -13.735 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.793 -0.187 -15.013 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.204 0.861 -13.422 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.507 1.996 -12.262 1.00 0.00 H new ATOM 419 N LYS A 27 5.663 -2.356 -14.852 1.00 0.00 N ATOM 420 CA LYS A 27 4.277 -2.547 -15.324 1.00 0.00 C ATOM 421 C LYS A 27 3.252 -2.737 -14.190 1.00 0.00 C ATOM 422 O LYS A 27 2.057 -2.553 -14.433 1.00 0.00 O ATOM 423 CB LYS A 27 4.229 -3.728 -16.317 1.00 0.00 C ATOM 424 CG LYS A 27 5.025 -3.501 -17.610 1.00 0.00 C ATOM 425 CD LYS A 27 4.237 -2.614 -18.585 1.00 0.00 C ATOM 426 CE LYS A 27 5.083 -2.162 -19.776 1.00 0.00 C ATOM 427 NZ LYS A 27 5.536 -3.289 -20.631 1.00 0.00 N ATOM 0 H LYS A 27 6.182 -3.231 -14.785 1.00 0.00 H new ATOM 0 HA LYS A 27 3.983 -1.625 -15.825 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.612 -4.620 -15.821 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.189 -3.928 -16.575 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.981 -3.033 -17.377 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.246 -4.459 -18.080 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.367 -3.161 -18.948 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.864 -1.738 -18.054 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.504 -1.465 -20.381 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.954 -1.619 -19.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.104 -2.920 -21.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.113 -3.944 -20.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.708 -3.794 -21.007 1.00 0.00 H new ATOM 441 N LYS A 28 3.677 -3.067 -12.959 1.00 0.00 N ATOM 442 CA LYS A 28 2.803 -3.117 -11.764 1.00 0.00 C ATOM 443 C LYS A 28 2.548 -1.713 -11.195 1.00 0.00 C ATOM 444 O LYS A 28 3.448 -0.868 -11.254 1.00 0.00 O ATOM 445 CB LYS A 28 3.395 -4.042 -10.683 1.00 0.00 C ATOM 446 CG LYS A 28 3.163 -5.524 -11.016 1.00 0.00 C ATOM 447 CD LYS A 28 3.721 -6.479 -9.948 1.00 0.00 C ATOM 448 CE LYS A 28 2.958 -6.388 -8.619 1.00 0.00 C ATOM 449 NZ LYS A 28 3.458 -7.384 -7.640 1.00 0.00 N ATOM 0 H LYS A 28 4.647 -3.310 -12.758 1.00 0.00 H new ATOM 0 HA LYS A 28 1.844 -3.529 -12.079 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.464 -3.853 -10.588 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.943 -3.810 -9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.093 -5.701 -11.129 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.627 -5.751 -11.976 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.674 -7.502 -10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.773 -6.251 -9.775 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.062 -5.385 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.895 -6.551 -8.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.858 -7.367 -6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.430 -8.333 -8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.437 -7.151 -7.377 1.00 0.00 H new ATOM 463 N PRO A 29 1.364 -1.439 -10.614 1.00 0.00 N ATOM 464 CA PRO A 29 1.079 -0.164 -9.960 1.00 0.00 C ATOM 465 C PRO A 29 1.907 -0.003 -8.683 1.00 0.00 C ATOM 466 O PRO A 29 2.076 -0.945 -7.905 1.00 0.00 O ATOM 467 CB PRO A 29 -0.424 -0.176 -9.664 1.00 0.00 C ATOM 468 CG PRO A 29 -0.760 -1.661 -9.547 1.00 0.00 C ATOM 469 CD PRO A 29 0.235 -2.350 -10.473 1.00 0.00 C ATOM 0 HA PRO A 29 1.346 0.682 -10.593 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.655 0.360 -8.743 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.993 0.301 -10.462 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.656 -2.012 -8.520 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.788 -1.861 -9.849 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.556 -3.305 -10.057 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.218 -2.561 -11.442 1.00 0.00 H new ATOM 477 N LEU A 30 2.380 1.220 -8.435 1.00 0.00 N ATOM 478 CA LEU A 30 3.160 1.545 -7.238 1.00 0.00 C ATOM 479 C LEU A 30 2.369 1.302 -5.947 1.00 0.00 C ATOM 480 O LEU A 30 2.960 0.887 -4.960 1.00 0.00 O ATOM 481 CB LEU A 30 3.663 2.995 -7.329 1.00 0.00 C ATOM 482 CG LEU A 30 4.790 3.174 -8.361 1.00 0.00 C ATOM 483 CD1 LEU A 30 4.945 4.654 -8.686 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.130 2.636 -7.853 1.00 0.00 C ATOM 0 H LEU A 30 2.233 2.014 -9.058 1.00 0.00 H new ATOM 0 HA LEU A 30 4.019 0.875 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.830 3.647 -7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.020 3.312 -6.349 1.00 0.00 H new ATOM 0 HG LEU A 30 4.514 2.607 -9.250 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.743 4.784 -9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.010 5.036 -9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.193 5.202 -7.777 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.894 2.785 -8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.415 3.168 -6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.036 1.572 -7.636 1.00 0.00 H new ATOM 496 N SER A 31 1.042 1.453 -5.958 1.00 0.00 N ATOM 497 CA SER A 31 0.177 1.131 -4.812 1.00 0.00 C ATOM 498 C SER A 31 0.271 -0.345 -4.393 1.00 0.00 C ATOM 499 O SER A 31 0.401 -0.639 -3.204 1.00 0.00 O ATOM 500 CB SER A 31 -1.282 1.474 -5.143 1.00 0.00 C ATOM 501 OG SER A 31 -1.394 2.824 -5.567 1.00 0.00 O ATOM 0 H SER A 31 0.530 1.805 -6.767 1.00 0.00 H new ATOM 0 HA SER A 31 0.527 1.733 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.649 0.810 -5.926 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.908 1.309 -4.266 1.00 0.00 H new ATOM 0 HG SER A 31 -2.330 3.025 -5.775 1.00 0.00 H new ATOM 507 N ALA A 32 0.270 -1.279 -5.356 1.00 0.00 N ATOM 508 CA ALA A 32 0.445 -2.711 -5.081 1.00 0.00 C ATOM 509 C ALA A 32 1.873 -3.036 -4.604 1.00 0.00 C ATOM 510 O ALA A 32 2.060 -3.822 -3.675 1.00 0.00 O ATOM 511 CB ALA A 32 0.091 -3.511 -6.341 1.00 0.00 C ATOM 0 H ALA A 32 0.148 -1.062 -6.345 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.225 -2.993 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.219 -4.575 -6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.945 -3.315 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.747 -3.212 -7.158 1.00 0.00 H new ATOM 517 N ILE A 33 2.883 -2.390 -5.196 1.00 0.00 N ATOM 518 CA ILE A 33 4.289 -2.537 -4.791 1.00 0.00 C ATOM 519 C ILE A 33 4.490 -2.027 -3.356 1.00 0.00 C ATOM 520 O ILE A 33 5.039 -2.742 -2.526 1.00 0.00 O ATOM 521 CB ILE A 33 5.209 -1.825 -5.810 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.110 -2.511 -7.196 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.673 -1.804 -5.336 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.689 -1.674 -8.340 1.00 0.00 C ATOM 0 H ILE A 33 2.749 -1.746 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 33 4.561 -3.592 -4.791 1.00 0.00 H new ATOM 0 HB ILE A 33 4.869 -0.793 -5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.632 -3.467 -7.157 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.064 -2.728 -7.410 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.288 -1.296 -6.078 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.740 -1.275 -4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.029 -2.826 -5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.584 -2.219 -9.278 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.151 -0.728 -8.407 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.744 -1.478 -8.150 1.00 0.00 H new ATOM 536 N ILE A 34 3.993 -0.834 -3.022 1.00 0.00 N ATOM 537 CA ILE A 34 4.085 -0.243 -1.676 1.00 0.00 C ATOM 538 C ILE A 34 3.360 -1.122 -0.644 1.00 0.00 C ATOM 539 O ILE A 34 3.897 -1.331 0.445 1.00 0.00 O ATOM 540 CB ILE A 34 3.567 1.216 -1.699 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.551 2.119 -2.484 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.379 1.787 -0.281 1.00 0.00 C ATOM 543 CD1 ILE A 34 3.922 3.426 -2.983 1.00 0.00 C ATOM 0 H ILE A 34 3.505 -0.236 -3.689 1.00 0.00 H new ATOM 0 HA ILE A 34 5.129 -0.206 -1.367 1.00 0.00 H new ATOM 0 HB ILE A 34 2.594 1.203 -2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.402 2.356 -1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.939 1.563 -3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.015 2.812 -0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.656 1.179 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.333 1.774 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.670 4.007 -3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.089 3.198 -3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.560 4.003 -2.132 1.00 0.00 H new ATOM 555 N LYS A 35 2.208 -1.719 -0.990 1.00 0.00 N ATOM 556 CA LYS A 35 1.541 -2.729 -0.148 1.00 0.00 C ATOM 557 C LYS A 35 2.437 -3.944 0.116 1.00 0.00 C ATOM 558 O LYS A 35 2.520 -4.399 1.254 1.00 0.00 O ATOM 559 CB LYS A 35 0.203 -3.140 -0.789 1.00 0.00 C ATOM 560 CG LYS A 35 -0.649 -4.011 0.148 1.00 0.00 C ATOM 561 CD LYS A 35 -2.005 -4.343 -0.493 1.00 0.00 C ATOM 562 CE LYS A 35 -2.955 -5.056 0.480 1.00 0.00 C ATOM 563 NZ LYS A 35 -2.506 -6.435 0.813 1.00 0.00 N ATOM 0 H LYS A 35 1.713 -1.517 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 35 1.340 -2.281 0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.358 -2.245 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.397 -3.686 -1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.116 -4.933 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.807 -3.490 1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.473 -3.423 -0.844 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.845 -4.973 -1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.034 -4.473 1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.952 -5.099 0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.182 -6.871 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.455 -7.003 -0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.566 -6.396 1.256 1.00 0.00 H new ATOM 577 N GLU A 36 3.149 -4.441 -0.897 1.00 0.00 N ATOM 578 CA GLU A 36 4.079 -5.566 -0.780 1.00 0.00 C ATOM 579 C GLU A 36 5.339 -5.223 0.043 1.00 0.00 C ATOM 580 O GLU A 36 5.870 -6.092 0.738 1.00 0.00 O ATOM 581 CB GLU A 36 4.430 -6.037 -2.200 1.00 0.00 C ATOM 582 CG GLU A 36 3.298 -6.866 -2.828 1.00 0.00 C ATOM 583 CD GLU A 36 3.460 -7.058 -4.347 1.00 0.00 C ATOM 584 OE1 GLU A 36 2.440 -7.273 -5.048 1.00 0.00 O ATOM 585 OE2 GLU A 36 4.597 -7.037 -4.877 1.00 0.00 O ATOM 0 H GLU A 36 3.094 -4.064 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 36 3.597 -6.371 -0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.637 -5.171 -2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.342 -6.633 -2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.261 -7.843 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.344 -6.377 -2.629 1.00 0.00 H new ATOM 592 N VAL A 37 5.789 -3.960 0.037 1.00 0.00 N ATOM 593 CA VAL A 37 6.838 -3.469 0.952 1.00 0.00 C ATOM 594 C VAL A 37 6.321 -3.430 2.394 1.00 0.00 C ATOM 595 O VAL A 37 6.933 -4.022 3.283 1.00 0.00 O ATOM 596 CB VAL A 37 7.369 -2.077 0.553 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.502 -1.629 1.482 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.940 -2.061 -0.862 1.00 0.00 C ATOM 0 H VAL A 37 5.438 -3.247 -0.602 1.00 0.00 H new ATOM 0 HA VAL A 37 7.668 -4.171 0.878 1.00 0.00 H new ATOM 0 HB VAL A 37 6.511 -1.408 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.856 -0.645 1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.134 -1.580 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.323 -2.343 1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.301 -1.060 -1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.765 -2.770 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.162 -2.342 -1.572 1.00 0.00 H new ATOM 608 N CYS A 38 5.185 -2.763 2.620 1.00 0.00 N ATOM 609 CA CYS A 38 4.602 -2.573 3.953 1.00 0.00 C ATOM 610 C CYS A 38 4.252 -3.911 4.627 1.00 0.00 C ATOM 611 O CYS A 38 4.590 -4.115 5.793 1.00 0.00 O ATOM 612 CB CYS A 38 3.369 -1.657 3.863 1.00 0.00 C ATOM 613 SG CYS A 38 3.835 0.008 3.308 1.00 0.00 S ATOM 0 H CYS A 38 4.637 -2.334 1.874 1.00 0.00 H new ATOM 0 HA CYS A 38 5.352 -2.093 4.581 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.643 -2.085 3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.884 -1.597 4.837 1.00 0.00 H new ATOM 0 HG CYS A 38 4.027 -0.001 2.022 1.00 0.00 H new ATOM 619 N ASP A 39 3.655 -4.856 3.894 1.00 0.00 N ATOM 620 CA ASP A 39 3.343 -6.205 4.386 1.00 0.00 C ATOM 621 C ASP A 39 4.599 -6.994 4.812 1.00 0.00 C ATOM 622 O ASP A 39 4.548 -7.782 5.758 1.00 0.00 O ATOM 623 CB ASP A 39 2.581 -6.963 3.287 1.00 0.00 C ATOM 624 CG ASP A 39 2.074 -8.342 3.744 1.00 0.00 C ATOM 625 OD1 ASP A 39 2.240 -9.325 2.983 1.00 0.00 O ATOM 626 OD2 ASP A 39 1.467 -8.443 4.837 1.00 0.00 O ATOM 0 H ASP A 39 3.370 -4.704 2.927 1.00 0.00 H new ATOM 0 HA ASP A 39 2.729 -6.105 5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.733 -6.361 2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.233 -7.091 2.423 1.00 0.00 H new ATOM 631 N GLY A 40 5.752 -6.727 4.184 1.00 0.00 N ATOM 632 CA GLY A 40 7.052 -7.300 4.558 1.00 0.00 C ATOM 633 C GLY A 40 7.522 -6.931 5.975 1.00 0.00 C ATOM 634 O GLY A 40 8.274 -7.693 6.587 1.00 0.00 O ATOM 0 H GLY A 40 5.808 -6.094 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.994 -8.386 4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.802 -6.967 3.841 1.00 0.00 H new ATOM 638 N TRP A 41 7.032 -5.812 6.522 1.00 0.00 N ATOM 639 CA TRP A 41 7.230 -5.373 7.911 1.00 0.00 C ATOM 640 C TRP A 41 5.919 -5.325 8.728 1.00 0.00 C ATOM 641 O TRP A 41 5.881 -4.744 9.815 1.00 0.00 O ATOM 642 CB TRP A 41 7.988 -4.039 7.897 1.00 0.00 C ATOM 643 CG TRP A 41 9.381 -4.097 7.341 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.361 -4.926 7.771 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.983 -3.294 6.276 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.518 -4.697 7.053 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.353 -3.680 6.143 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.524 -2.272 5.415 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.227 -3.067 5.238 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.391 -1.662 4.487 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.737 -2.052 4.403 1.00 0.00 C ATOM 0 H TRP A 41 6.461 -5.158 5.986 1.00 0.00 H new ATOM 0 HA TRP A 41 7.833 -6.115 8.435 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.412 -3.319 7.315 1.00 0.00 H new ATOM 0 HB3 TRP A 41 8.037 -3.658 8.917 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.254 -5.657 8.558 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.386 -5.217 7.182 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.493 -1.954 5.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.262 -3.371 5.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 10.017 -0.887 3.834 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.395 -1.570 3.695 1.00 0.00 H new ATOM 662 N SER A 42 4.839 -5.939 8.223 1.00 0.00 N ATOM 663 CA SER A 42 3.491 -5.957 8.822 1.00 0.00 C ATOM 664 C SER A 42 2.895 -4.555 9.094 1.00 0.00 C ATOM 665 O SER A 42 2.089 -4.365 10.011 1.00 0.00 O ATOM 666 CB SER A 42 3.470 -6.895 10.042 1.00 0.00 C ATOM 667 OG SER A 42 2.145 -7.221 10.440 1.00 0.00 O ATOM 0 H SER A 42 4.880 -6.460 7.347 1.00 0.00 H new ATOM 0 HA SER A 42 2.809 -6.366 8.077 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.013 -7.810 9.805 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.992 -6.421 10.873 1.00 0.00 H new ATOM 0 HG SER A 42 1.616 -6.400 10.520 1.00 0.00 H new ATOM 673 N LEU A 43 3.299 -3.552 8.308 1.00 0.00 N ATOM 674 CA LEU A 43 2.832 -2.165 8.406 1.00 0.00 C ATOM 675 C LEU A 43 1.403 -2.017 7.857 1.00 0.00 C ATOM 676 O LEU A 43 1.132 -2.335 6.696 1.00 0.00 O ATOM 677 CB LEU A 43 3.819 -1.239 7.666 1.00 0.00 C ATOM 678 CG LEU A 43 5.174 -1.072 8.380 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.177 -0.415 7.437 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.068 -0.209 9.641 1.00 0.00 C ATOM 0 H LEU A 43 3.982 -3.687 7.562 1.00 0.00 H new ATOM 0 HA LEU A 43 2.798 -1.875 9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.993 -1.635 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.360 -0.258 7.545 1.00 0.00 H new ATOM 0 HG LEU A 43 5.502 -2.070 8.671 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.134 -0.299 7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.310 -1.040 6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.805 0.564 7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.050 -0.123 10.106 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.705 0.783 9.373 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.374 -0.673 10.342 1.00 0.00 H new ATOM 692 N ALA A 44 0.494 -1.513 8.694 1.00 0.00 N ATOM 693 CA ALA A 44 -0.873 -1.159 8.316 1.00 0.00 C ATOM 694 C ALA A 44 -0.935 0.146 7.493 1.00 0.00 C ATOM 695 O ALA A 44 0.009 0.943 7.484 1.00 0.00 O ATOM 696 CB ALA A 44 -1.717 -1.059 9.594 1.00 0.00 C ATOM 0 H ALA A 44 0.695 -1.336 9.678 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.275 -1.937 7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.742 -0.795 9.333 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.709 -2.019 10.111 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.300 -0.292 10.246 1.00 0.00 H new ATOM 702 N ASN A 45 -2.079 0.378 6.838 1.00 0.00 N ATOM 703 CA ASN A 45 -2.401 1.610 6.103 1.00 0.00 C ATOM 704 C ASN A 45 -1.351 1.984 5.033 1.00 0.00 C ATOM 705 O ASN A 45 -0.888 3.125 4.969 1.00 0.00 O ATOM 706 CB ASN A 45 -2.718 2.757 7.088 1.00 0.00 C ATOM 707 CG ASN A 45 -3.719 2.388 8.170 1.00 0.00 C ATOM 708 OD1 ASN A 45 -3.391 2.261 9.342 1.00 0.00 O ATOM 709 ND2 ASN A 45 -4.969 2.178 7.818 1.00 0.00 N ATOM 0 H ASN A 45 -2.832 -0.309 6.803 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.304 1.419 5.523 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.791 3.082 7.561 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.104 3.608 6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.659 1.911 8.520 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.249 2.282 6.843 1.00 0.00 H new ATOM 716 N HIS A 46 -0.985 1.032 4.163 1.00 0.00 N ATOM 717 CA HIS A 46 -0.009 1.235 3.075 1.00 0.00 C ATOM 718 C HIS A 46 -0.397 2.373 2.109 1.00 0.00 C ATOM 719 O HIS A 46 0.470 2.941 1.449 1.00 0.00 O ATOM 720 CB HIS A 46 0.173 -0.076 2.299 1.00 0.00 C ATOM 721 CG HIS A 46 -1.033 -0.437 1.468 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.162 -1.120 1.925 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.252 -0.016 0.190 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.028 -1.114 0.897 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.512 -0.453 -0.152 1.00 0.00 N ATOM 0 H HIS A 46 -1.362 0.085 4.193 1.00 0.00 H new ATOM 0 HA HIS A 46 0.929 1.535 3.541 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.044 0.010 1.649 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.379 -0.883 3.002 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.572 0.548 -0.431 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.004 -1.577 0.912 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.974 -0.301 -1.048 1.00 0.00 H new ATOM 733 N GLU A 47 -1.678 2.755 2.062 1.00 0.00 N ATOM 734 CA GLU A 47 -2.187 3.931 1.339 1.00 0.00 C ATOM 735 C GLU A 47 -1.481 5.241 1.743 1.00 0.00 C ATOM 736 O GLU A 47 -1.374 6.165 0.934 1.00 0.00 O ATOM 737 CB GLU A 47 -3.690 4.097 1.633 1.00 0.00 C ATOM 738 CG GLU A 47 -4.584 2.916 1.219 1.00 0.00 C ATOM 739 CD GLU A 47 -4.608 2.631 -0.300 1.00 0.00 C ATOM 740 OE1 GLU A 47 -4.962 1.492 -0.691 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.318 3.539 -1.117 1.00 0.00 O ATOM 0 H GLU A 47 -2.415 2.238 2.541 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.994 3.754 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.816 4.267 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.044 4.993 1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.244 2.020 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.602 3.112 1.555 1.00 0.00 H new ATOM 748 N TYR A 48 -0.991 5.331 2.986 1.00 0.00 N ATOM 749 CA TYR A 48 -0.269 6.496 3.505 1.00 0.00 C ATOM 750 C TYR A 48 1.195 6.548 3.045 1.00 0.00 C ATOM 751 O TYR A 48 1.843 7.584 3.195 1.00 0.00 O ATOM 752 CB TYR A 48 -0.284 6.481 5.044 1.00 0.00 C ATOM 753 CG TYR A 48 -1.616 6.449 5.781 1.00 0.00 C ATOM 754 CD1 TYR A 48 -1.581 6.302 7.181 1.00 0.00 C ATOM 755 CD2 TYR A 48 -2.864 6.559 5.127 1.00 0.00 C ATOM 756 CE1 TYR A 48 -2.772 6.244 7.927 1.00 0.00 C ATOM 757 CE2 TYR A 48 -4.061 6.473 5.865 1.00 0.00 C ATOM 758 CZ TYR A 48 -4.020 6.320 7.268 1.00 0.00 C ATOM 759 OH TYR A 48 -5.181 6.243 7.975 1.00 0.00 O ATOM 0 H TYR A 48 -1.088 4.581 3.671 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.782 7.373 3.111 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.289 5.612 5.368 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.256 7.364 5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.630 6.233 7.687 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.900 6.709 4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.733 6.142 9.001 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.012 6.524 5.356 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.942 6.314 7.362 1.00 0.00 H new ATOM 769 N PHE A 49 1.749 5.440 2.545 1.00 0.00 N ATOM 770 CA PHE A 49 3.176 5.278 2.268 1.00 0.00 C ATOM 771 C PHE A 49 3.582 5.632 0.830 1.00 0.00 C ATOM 772 O PHE A 49 2.775 5.631 -0.100 1.00 0.00 O ATOM 773 CB PHE A 49 3.620 3.862 2.663 1.00 0.00 C ATOM 774 CG PHE A 49 3.783 3.684 4.162 1.00 0.00 C ATOM 775 CD1 PHE A 49 5.056 3.824 4.744 1.00 0.00 C ATOM 776 CD2 PHE A 49 2.672 3.403 4.980 1.00 0.00 C ATOM 777 CE1 PHE A 49 5.216 3.679 6.133 1.00 0.00 C ATOM 778 CE2 PHE A 49 2.835 3.247 6.368 1.00 0.00 C ATOM 779 CZ PHE A 49 4.108 3.386 6.946 1.00 0.00 C ATOM 0 H PHE A 49 1.202 4.610 2.316 1.00 0.00 H new ATOM 0 HA PHE A 49 3.705 6.006 2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.888 3.143 2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.566 3.634 2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.912 4.043 4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.691 3.307 4.540 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.194 3.793 6.577 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.982 3.020 6.990 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.235 3.268 8.012 1.00 0.00 H new ATOM 789 N ALA A 50 4.875 5.911 0.672 1.00 0.00 N ATOM 790 CA ALA A 50 5.581 6.120 -0.584 1.00 0.00 C ATOM 791 C ALA A 50 7.013 5.563 -0.488 1.00 0.00 C ATOM 792 O ALA A 50 7.631 5.559 0.581 1.00 0.00 O ATOM 793 CB ALA A 50 5.590 7.619 -0.914 1.00 0.00 C ATOM 0 H ALA A 50 5.497 6.003 1.476 1.00 0.00 H new ATOM 0 HA ALA A 50 5.071 5.587 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.118 7.781 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.565 7.977 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.094 8.164 -0.116 1.00 0.00 H new ATOM 799 N LEU A 51 7.544 5.093 -1.617 1.00 0.00 N ATOM 800 CA LEU A 51 8.964 4.777 -1.749 1.00 0.00 C ATOM 801 C LEU A 51 9.754 6.064 -2.029 1.00 0.00 C ATOM 802 O LEU A 51 9.228 7.036 -2.577 1.00 0.00 O ATOM 803 CB LEU A 51 9.163 3.705 -2.835 1.00 0.00 C ATOM 804 CG LEU A 51 8.875 2.279 -2.332 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.783 1.318 -3.517 1.00 0.00 C ATOM 806 CD2 LEU A 51 9.975 1.774 -1.391 1.00 0.00 C ATOM 0 H LEU A 51 7.002 4.921 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 51 9.347 4.359 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.510 3.925 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.188 3.754 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 51 7.932 2.314 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.579 0.311 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.978 1.634 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.726 1.323 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.734 0.764 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.929 1.764 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.045 2.434 -0.526 1.00 0.00 H new ATOM 818 N GLN A 52 11.023 6.066 -1.640 1.00 0.00 N ATOM 819 CA GLN A 52 11.906 7.232 -1.633 1.00 0.00 C ATOM 820 C GLN A 52 13.359 6.772 -1.847 1.00 0.00 C ATOM 821 O GLN A 52 13.717 5.658 -1.466 1.00 0.00 O ATOM 822 CB GLN A 52 11.662 7.952 -0.289 1.00 0.00 C ATOM 823 CG GLN A 52 12.621 9.090 0.068 1.00 0.00 C ATOM 824 CD GLN A 52 12.588 10.230 -0.934 1.00 0.00 C ATOM 825 OE1 GLN A 52 13.478 10.366 -1.755 1.00 0.00 O ATOM 826 NE2 GLN A 52 11.574 11.067 -0.922 1.00 0.00 N ATOM 0 H GLN A 52 11.487 5.221 -1.306 1.00 0.00 H new ATOM 0 HA GLN A 52 11.703 7.933 -2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.648 8.352 -0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.705 7.209 0.507 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.368 9.475 1.056 1.00 0.00 H new ATOM 0 HG3 GLN A 52 13.636 8.697 0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.828 10.955 -0.235 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.533 11.829 -1.599 1.00 0.00 H new ATOM 835 N HIS A 53 14.213 7.596 -2.454 1.00 0.00 N ATOM 836 CA HIS A 53 15.634 7.266 -2.668 1.00 0.00 C ATOM 837 C HIS A 53 16.450 7.373 -1.378 1.00 0.00 C ATOM 838 O HIS A 53 16.348 8.364 -0.653 1.00 0.00 O ATOM 839 CB HIS A 53 16.225 8.145 -3.780 1.00 0.00 C ATOM 840 CG HIS A 53 15.998 7.572 -5.158 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.810 6.613 -5.771 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.944 7.844 -5.980 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.237 6.344 -6.957 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.119 7.074 -7.112 1.00 0.00 N ATOM 0 H HIS A 53 13.946 8.512 -2.813 1.00 0.00 H new ATOM 0 HA HIS A 53 15.689 6.225 -2.986 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.781 9.139 -3.727 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.295 8.265 -3.613 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.132 8.528 -5.784 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.620 5.641 -7.682 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.505 7.061 -7.927 1.00 0.00 H new ATOM 930 N TYR A 60 10.575 11.284 -4.145 1.00 0.00 N ATOM 931 CA TYR A 60 9.514 10.300 -3.902 1.00 0.00 C ATOM 932 C TYR A 60 9.168 9.576 -5.210 1.00 0.00 C ATOM 933 O TYR A 60 9.115 10.193 -6.278 1.00 0.00 O ATOM 934 CB TYR A 60 8.264 10.974 -3.316 1.00 0.00 C ATOM 935 CG TYR A 60 8.455 11.564 -1.931 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.297 10.746 -0.795 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.781 12.926 -1.775 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.466 11.289 0.493 1.00 0.00 C ATOM 939 CE2 TYR A 60 8.959 13.470 -0.488 1.00 0.00 C ATOM 940 CZ TYR A 60 8.803 12.650 0.651 1.00 0.00 C ATOM 941 OH TYR A 60 8.965 13.166 1.900 1.00 0.00 O ATOM 0 HA TYR A 60 9.875 9.572 -3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.943 11.766 -3.993 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.457 10.242 -3.277 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.046 9.702 -0.912 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.895 13.555 -2.645 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.337 10.662 1.363 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.214 14.513 -0.372 1.00 0.00 H new ATOM 0 HH TYR A 60 9.196 14.116 1.834 1.00 0.00 H new ATOM 951 N ILE A 61 8.938 8.266 -5.144 1.00 0.00 N ATOM 952 CA ILE A 61 8.654 7.441 -6.322 1.00 0.00 C ATOM 953 C ILE A 61 7.186 7.586 -6.745 1.00 0.00 C ATOM 954 O ILE A 61 6.265 7.481 -5.932 1.00 0.00 O ATOM 955 CB ILE A 61 9.084 5.982 -6.077 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.580 5.866 -5.686 1.00 0.00 C ATOM 957 CG2 ILE A 61 8.785 5.101 -7.301 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.581 6.555 -6.630 1.00 0.00 C ATOM 0 H ILE A 61 8.943 7.742 -4.269 1.00 0.00 H new ATOM 0 HA ILE A 61 9.247 7.796 -7.165 1.00 0.00 H new ATOM 0 HB ILE A 61 8.495 5.623 -5.233 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.707 6.283 -4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.838 4.809 -5.625 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.099 4.077 -7.098 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.715 5.118 -7.509 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.328 5.483 -8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.594 6.407 -6.256 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.496 6.124 -7.628 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.363 7.622 -6.675 1.00 0.00 H new ATOM 970 N THR A 62 6.987 7.831 -8.041 1.00 0.00 N ATOM 971 CA THR A 62 5.708 8.141 -8.703 1.00 0.00 C ATOM 972 C THR A 62 5.733 7.597 -10.132 1.00 0.00 C ATOM 973 O THR A 62 6.789 7.206 -10.631 1.00 0.00 O ATOM 974 CB THR A 62 5.463 9.663 -8.771 1.00 0.00 C ATOM 975 OG1 THR A 62 6.419 10.260 -9.622 1.00 0.00 O ATOM 976 CG2 THR A 62 5.521 10.378 -7.422 1.00 0.00 C ATOM 0 H THR A 62 7.762 7.819 -8.704 1.00 0.00 H new ATOM 0 HA THR A 62 4.910 7.679 -8.121 1.00 0.00 H new ATOM 0 HB THR A 62 4.447 9.774 -9.148 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.261 11.226 -9.665 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.338 11.443 -7.566 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.761 9.965 -6.759 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.506 10.237 -6.977 1.00 0.00 H new ATOM 984 N GLU A 63 4.607 7.627 -10.847 1.00 0.00 N ATOM 985 CA GLU A 63 4.568 7.269 -12.278 1.00 0.00 C ATOM 986 C GLU A 63 5.476 8.162 -13.157 1.00 0.00 C ATOM 987 O GLU A 63 5.893 7.741 -14.238 1.00 0.00 O ATOM 988 CB GLU A 63 3.117 7.310 -12.790 1.00 0.00 C ATOM 989 CG GLU A 63 2.200 6.318 -12.055 1.00 0.00 C ATOM 990 CD GLU A 63 0.771 6.283 -12.638 1.00 0.00 C ATOM 991 OE1 GLU A 63 0.598 6.308 -13.882 1.00 0.00 O ATOM 992 OE2 GLU A 63 -0.202 6.209 -11.847 1.00 0.00 O ATOM 0 H GLU A 63 3.702 7.896 -10.462 1.00 0.00 H new ATOM 0 HA GLU A 63 4.962 6.256 -12.361 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.723 8.319 -12.672 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.106 7.087 -13.857 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.634 5.320 -12.109 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.151 6.588 -11.000 1.00 0.00 H new ATOM 999 N LYS A 64 5.826 9.369 -12.680 1.00 0.00 N ATOM 1000 CA LYS A 64 6.780 10.297 -13.316 1.00 0.00 C ATOM 1001 C LYS A 64 8.251 9.999 -12.972 1.00 0.00 C ATOM 1002 O LYS A 64 9.126 10.302 -13.783 1.00 0.00 O ATOM 1003 CB LYS A 64 6.380 11.731 -12.915 1.00 0.00 C ATOM 1004 CG LYS A 64 7.133 12.816 -13.701 1.00 0.00 C ATOM 1005 CD LYS A 64 6.617 14.215 -13.341 1.00 0.00 C ATOM 1006 CE LYS A 64 7.390 15.279 -14.132 1.00 0.00 C ATOM 1007 NZ LYS A 64 6.916 16.651 -13.815 1.00 0.00 N ATOM 0 H LYS A 64 5.440 9.739 -11.811 1.00 0.00 H new ATOM 0 HA LYS A 64 6.722 10.170 -14.397 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.309 11.858 -13.070 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.567 11.868 -11.850 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.200 12.752 -13.486 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.013 12.644 -14.771 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.552 14.287 -13.563 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.732 14.390 -12.271 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.453 15.200 -13.906 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.277 15.092 -15.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.461 17.343 -14.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.907 16.734 -14.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.047 16.838 -12.800 1.00 0.00 H new ATOM 1021 N ASN A 65 8.529 9.411 -11.801 1.00 0.00 N ATOM 1022 CA ASN A 65 9.886 9.244 -11.249 1.00 0.00 C ATOM 1023 C ASN A 65 10.410 7.794 -11.239 1.00 0.00 C ATOM 1024 O ASN A 65 11.622 7.580 -11.170 1.00 0.00 O ATOM 1025 CB ASN A 65 9.919 9.835 -9.825 1.00 0.00 C ATOM 1026 CG ASN A 65 9.687 11.339 -9.752 1.00 0.00 C ATOM 1027 OD1 ASN A 65 9.810 12.081 -10.717 1.00 0.00 O ATOM 1028 ND2 ASN A 65 9.368 11.843 -8.583 1.00 0.00 N ATOM 0 H ASN A 65 7.803 9.029 -11.195 1.00 0.00 H new ATOM 0 HA ASN A 65 10.560 9.779 -11.918 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.161 9.335 -9.222 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.886 9.608 -9.375 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.224 12.848 -8.483 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.264 11.230 -7.775 1.00 0.00 H new ATOM 1035 N ARG A 66 9.531 6.782 -11.295 1.00 0.00 N ATOM 1036 CA ARG A 66 9.887 5.355 -11.147 1.00 0.00 C ATOM 1037 C ARG A 66 10.878 4.828 -12.191 1.00 0.00 C ATOM 1038 O ARG A 66 11.619 3.891 -11.906 1.00 0.00 O ATOM 1039 CB ARG A 66 8.606 4.503 -11.112 1.00 0.00 C ATOM 1040 CG ARG A 66 7.808 4.521 -12.432 1.00 0.00 C ATOM 1041 CD ARG A 66 6.486 3.749 -12.339 1.00 0.00 C ATOM 1042 NE ARG A 66 6.693 2.349 -11.931 1.00 0.00 N ATOM 1043 CZ ARG A 66 5.759 1.458 -11.669 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.496 1.673 -11.888 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.071 0.304 -11.166 1.00 0.00 N ATOM 0 H ARG A 66 8.533 6.931 -11.447 1.00 0.00 H new ATOM 0 HA ARG A 66 10.420 5.270 -10.200 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.872 3.473 -10.874 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.965 4.861 -10.306 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.601 5.554 -12.712 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.419 4.092 -13.226 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.828 4.242 -11.623 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.982 3.774 -13.305 1.00 0.00 H new ATOM 0 HE ARG A 66 7.660 2.037 -11.842 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.191 2.564 -12.280 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.810 0.951 -11.668 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.047 0.080 -10.970 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.341 -0.380 -10.966 1.00 0.00 H new ATOM 1059 N ASN A 67 10.936 5.452 -13.369 1.00 0.00 N ATOM 1060 CA ASN A 67 11.878 5.120 -14.445 1.00 0.00 C ATOM 1061 C ASN A 67 13.359 5.329 -14.048 1.00 0.00 C ATOM 1062 O ASN A 67 14.246 4.736 -14.660 1.00 0.00 O ATOM 1063 CB ASN A 67 11.530 5.977 -15.677 1.00 0.00 C ATOM 1064 CG ASN A 67 11.929 7.433 -15.473 1.00 0.00 C ATOM 1065 OD1 ASN A 67 11.338 8.150 -14.681 1.00 0.00 O ATOM 1066 ND2 ASN A 67 12.982 7.882 -16.115 1.00 0.00 N ATOM 0 H ASN A 67 10.313 6.223 -13.610 1.00 0.00 H new ATOM 0 HA ASN A 67 11.774 4.057 -14.665 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.039 5.578 -16.555 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.460 5.916 -15.874 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.310 8.834 -15.953 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.472 7.279 -16.776 1.00 0.00 H new ATOM 1073 N GLU A 68 13.637 6.170 -13.043 1.00 0.00 N ATOM 1074 CA GLU A 68 14.995 6.424 -12.537 1.00 0.00 C ATOM 1075 C GLU A 68 15.551 5.260 -11.688 1.00 0.00 C ATOM 1076 O GLU A 68 16.757 5.199 -11.436 1.00 0.00 O ATOM 1077 CB GLU A 68 15.014 7.732 -11.726 1.00 0.00 C ATOM 1078 CG GLU A 68 14.533 8.979 -12.494 1.00 0.00 C ATOM 1079 CD GLU A 68 15.282 9.247 -13.817 1.00 0.00 C ATOM 1080 OE1 GLU A 68 16.509 8.998 -13.903 1.00 0.00 O ATOM 1081 OE2 GLU A 68 14.647 9.749 -14.778 1.00 0.00 O ATOM 0 H GLU A 68 12.917 6.700 -12.552 1.00 0.00 H new ATOM 0 HA GLU A 68 15.648 6.515 -13.405 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.389 7.604 -10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.030 7.910 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.470 8.870 -12.709 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.639 9.851 -11.848 1.00 0.00 H new ATOM 1088 N ILE A 69 14.696 4.325 -11.252 1.00 0.00 N ATOM 1089 CA ILE A 69 15.091 3.110 -10.531 1.00 0.00 C ATOM 1090 C ILE A 69 15.755 2.118 -11.502 1.00 0.00 C ATOM 1091 O ILE A 69 15.212 1.818 -12.571 1.00 0.00 O ATOM 1092 CB ILE A 69 13.877 2.468 -9.819 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.181 3.468 -8.862 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.310 1.210 -9.046 1.00 0.00 C ATOM 1095 CD1 ILE A 69 11.857 2.950 -8.288 1.00 0.00 C ATOM 0 H ILE A 69 13.688 4.395 -11.395 1.00 0.00 H new ATOM 0 HA ILE A 69 15.814 3.379 -9.761 1.00 0.00 H new ATOM 0 HB ILE A 69 13.158 2.185 -10.588 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.857 3.701 -8.039 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.996 4.400 -9.396 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.444 0.771 -8.551 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.737 0.486 -9.740 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.056 1.481 -8.299 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.427 3.703 -7.627 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.163 2.744 -9.103 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.038 2.034 -7.725 1.00 0.00 H new ATOM 1107 N LYS A 70 16.902 1.566 -11.095 1.00 0.00 N ATOM 1108 CA LYS A 70 17.660 0.515 -11.795 1.00 0.00 C ATOM 1109 C LYS A 70 17.939 -0.697 -10.897 1.00 0.00 C ATOM 1110 O LYS A 70 17.740 -0.637 -9.682 1.00 0.00 O ATOM 1111 CB LYS A 70 18.946 1.121 -12.391 1.00 0.00 C ATOM 1112 CG LYS A 70 19.927 1.655 -11.331 1.00 0.00 C ATOM 1113 CD LYS A 70 21.204 2.201 -11.982 1.00 0.00 C ATOM 1114 CE LYS A 70 22.158 2.725 -10.903 1.00 0.00 C ATOM 1115 NZ LYS A 70 23.409 3.270 -11.494 1.00 0.00 N ATOM 0 H LYS A 70 17.353 1.852 -10.226 1.00 0.00 H new ATOM 0 HA LYS A 70 17.051 0.131 -12.613 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.450 0.363 -12.991 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.676 1.934 -13.065 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.446 2.443 -10.751 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.183 0.857 -10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.692 1.416 -12.561 1.00 0.00 H new ATOM 0 HD3 LYS A 70 20.954 3.002 -12.678 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.660 3.502 -10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.403 1.919 -10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 24.030 3.615 -10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 23.896 2.521 -12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.177 4.055 -12.135 1.00 0.00 H new ATOM 1129 N ASN A 71 18.431 -1.792 -11.473 1.00 0.00 N ATOM 1130 CA ASN A 71 18.862 -2.962 -10.704 1.00 0.00 C ATOM 1131 C ASN A 71 19.979 -2.589 -9.704 1.00 0.00 C ATOM 1132 O ASN A 71 20.980 -1.968 -10.073 1.00 0.00 O ATOM 1133 CB ASN A 71 19.268 -4.104 -11.656 1.00 0.00 C ATOM 1134 CG ASN A 71 20.405 -3.749 -12.609 1.00 0.00 C ATOM 1135 OD1 ASN A 71 20.280 -2.889 -13.472 1.00 0.00 O ATOM 1136 ND2 ASN A 71 21.539 -4.405 -12.505 1.00 0.00 N ATOM 0 H ASN A 71 18.543 -1.895 -12.482 1.00 0.00 H new ATOM 0 HA ASN A 71 18.026 -3.323 -10.106 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.563 -4.969 -11.062 1.00 0.00 H new ATOM 0 HB3 ASN A 71 18.398 -4.401 -12.241 1.00 0.00 H new ATOM 0 HD21 ASN A 71 22.309 -4.197 -13.141 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.649 -5.122 -11.788 1.00 0.00 H new ATOM 1143 N GLY A 72 19.794 -2.954 -8.434 1.00 0.00 N ATOM 1144 CA GLY A 72 20.688 -2.610 -7.322 1.00 0.00 C ATOM 1145 C GLY A 72 20.422 -1.248 -6.658 1.00 0.00 C ATOM 1146 O GLY A 72 21.226 -0.821 -5.827 1.00 0.00 O ATOM 0 H GLY A 72 18.994 -3.514 -8.140 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.610 -3.387 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.715 -2.623 -7.687 1.00 0.00 H new ATOM 1150 N THR A 73 19.323 -0.552 -6.988 1.00 0.00 N ATOM 1151 CA THR A 73 18.947 0.719 -6.328 1.00 0.00 C ATOM 1152 C THR A 73 18.618 0.498 -4.848 1.00 0.00 C ATOM 1153 O THR A 73 17.853 -0.411 -4.511 1.00 0.00 O ATOM 1154 CB THR A 73 17.750 1.403 -7.013 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.057 1.670 -8.358 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.369 2.752 -6.402 1.00 0.00 C ATOM 0 H THR A 73 18.670 -0.847 -7.714 1.00 0.00 H new ATOM 0 HA THR A 73 19.814 1.374 -6.416 1.00 0.00 H new ATOM 0 HB THR A 73 16.921 0.706 -6.888 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.223 0.827 -8.829 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.518 3.168 -6.941 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.103 2.615 -5.354 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.214 3.436 -6.475 1.00 0.00 H new ATOM 1164 N ILE A 74 19.156 1.347 -3.965 1.00 0.00 N ATOM 1165 CA ILE A 74 18.774 1.395 -2.548 1.00 0.00 C ATOM 1166 C ILE A 74 17.705 2.483 -2.349 1.00 0.00 C ATOM 1167 O ILE A 74 17.919 3.662 -2.644 1.00 0.00 O ATOM 1168 CB ILE A 74 19.994 1.593 -1.621 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.129 0.582 -1.922 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.551 1.450 -0.149 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.458 0.953 -1.257 1.00 0.00 C ATOM 0 H ILE A 74 19.875 2.026 -4.215 1.00 0.00 H new ATOM 0 HA ILE A 74 18.348 0.432 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 74 20.388 2.593 -1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 74 20.824 -0.408 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.275 0.519 -3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.412 1.590 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.796 2.203 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.132 0.456 0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.211 0.206 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.784 1.930 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.326 0.988 -0.176 1.00 0.00 H new ATOM 1183 N LEU A 75 16.548 2.071 -1.841 1.00 0.00 N ATOM 1184 CA LEU A 75 15.396 2.901 -1.501 1.00 0.00 C ATOM 1185 C LEU A 75 15.166 2.909 0.021 1.00 0.00 C ATOM 1186 O LEU A 75 15.810 2.180 0.778 1.00 0.00 O ATOM 1187 CB LEU A 75 14.155 2.368 -2.254 1.00 0.00 C ATOM 1188 CG LEU A 75 14.264 2.338 -3.791 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.010 1.697 -4.384 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.405 3.739 -4.392 1.00 0.00 C ATOM 0 H LEU A 75 16.378 1.085 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 75 15.581 3.931 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.948 1.357 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.297 2.982 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 75 15.157 1.762 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.091 1.678 -5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.910 0.678 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.134 2.277 -4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.478 3.664 -5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.533 4.338 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.304 4.214 -4.000 1.00 0.00 H new ATOM 1202 N ARG A 76 14.203 3.710 0.471 1.00 0.00 N ATOM 1203 CA ARG A 76 13.656 3.731 1.833 1.00 0.00 C ATOM 1204 C ARG A 76 12.141 3.900 1.791 1.00 0.00 C ATOM 1205 O ARG A 76 11.598 4.527 0.880 1.00 0.00 O ATOM 1206 CB ARG A 76 14.364 4.792 2.700 1.00 0.00 C ATOM 1207 CG ARG A 76 14.177 6.231 2.199 1.00 0.00 C ATOM 1208 CD ARG A 76 15.095 7.226 2.929 1.00 0.00 C ATOM 1209 NE ARG A 76 15.461 8.346 2.040 1.00 0.00 N ATOM 1210 CZ ARG A 76 15.374 9.648 2.230 1.00 0.00 C ATOM 1211 NH1 ARG A 76 14.943 10.187 3.333 1.00 0.00 N ATOM 1212 NH2 ARG A 76 15.722 10.436 1.258 1.00 0.00 N ATOM 0 H ARG A 76 13.757 4.400 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 76 13.854 2.773 2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.989 4.722 3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.430 4.566 2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.380 6.270 1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.138 6.530 2.337 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.592 7.609 3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.996 6.715 3.269 1.00 0.00 H new ATOM 0 HE ARG A 76 15.842 8.069 1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.650 9.594 4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.898 11.202 3.421 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.052 10.043 0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.665 11.448 1.376 1.00 0.00 H new ATOM 1226 N LEU A 77 11.470 3.321 2.777 1.00 0.00 N ATOM 1227 CA LEU A 77 10.029 3.459 2.991 1.00 0.00 C ATOM 1228 C LEU A 77 9.737 4.665 3.898 1.00 0.00 C ATOM 1229 O LEU A 77 10.453 4.907 4.871 1.00 0.00 O ATOM 1230 CB LEU A 77 9.490 2.131 3.551 1.00 0.00 C ATOM 1231 CG LEU A 77 7.987 2.110 3.845 1.00 0.00 C ATOM 1232 CD1 LEU A 77 7.178 2.171 2.544 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.611 0.830 4.577 1.00 0.00 C ATOM 0 H LEU A 77 11.922 2.725 3.471 1.00 0.00 H new ATOM 0 HA LEU A 77 9.513 3.660 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.716 1.337 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.027 1.898 4.470 1.00 0.00 H new ATOM 0 HG LEU A 77 7.759 2.979 4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.113 2.155 2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.419 3.089 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.426 1.312 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.540 0.828 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.865 -0.031 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.159 0.775 5.518 1.00 0.00 H new ATOM 1245 N THR A 78 8.689 5.428 3.584 1.00 0.00 N ATOM 1246 CA THR A 78 8.295 6.638 4.324 1.00 0.00 C ATOM 1247 C THR A 78 6.812 6.961 4.092 1.00 0.00 C ATOM 1248 O THR A 78 6.245 6.563 3.074 1.00 0.00 O ATOM 1249 CB THR A 78 9.221 7.807 3.923 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.919 8.970 4.661 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.164 8.171 2.436 1.00 0.00 C ATOM 0 H THR A 78 8.076 5.223 2.795 1.00 0.00 H new ATOM 0 HA THR A 78 8.411 6.468 5.394 1.00 0.00 H new ATOM 0 HB THR A 78 10.226 7.447 4.144 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.520 9.695 4.390 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.843 9.000 2.238 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.461 7.309 1.839 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.148 8.463 2.172 1.00 0.00 H new ATOM 1259 N THR A 79 6.145 7.656 5.019 1.00 0.00 N ATOM 1260 CA THR A 79 4.793 8.188 4.770 1.00 0.00 C ATOM 1261 C THR A 79 4.848 9.388 3.815 1.00 0.00 C ATOM 1262 O THR A 79 5.723 10.254 3.906 1.00 0.00 O ATOM 1263 CB THR A 79 4.024 8.518 6.059 1.00 0.00 C ATOM 1264 OG1 THR A 79 4.789 9.331 6.925 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.605 7.252 6.811 1.00 0.00 C ATOM 0 H THR A 79 6.514 7.865 5.947 1.00 0.00 H new ATOM 0 HA THR A 79 4.226 7.392 4.287 1.00 0.00 H new ATOM 0 HB THR A 79 3.130 9.060 5.750 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.271 9.524 7.734 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.064 7.529 7.716 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.960 6.647 6.174 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.492 6.678 7.079 1.00 0.00 H new ATOM 1273 N SER A 80 3.924 9.425 2.854 1.00 0.00 N ATOM 1274 CA SER A 80 3.866 10.421 1.779 1.00 0.00 C ATOM 1275 C SER A 80 3.565 11.832 2.311 1.00 0.00 C ATOM 1276 O SER A 80 2.695 11.977 3.177 1.00 0.00 O ATOM 1277 CB SER A 80 2.791 10.010 0.766 1.00 0.00 C ATOM 1278 OG SER A 80 2.613 11.013 -0.219 1.00 0.00 O ATOM 0 H SER A 80 3.170 8.741 2.799 1.00 0.00 H new ATOM 0 HA SER A 80 4.845 10.455 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.075 9.072 0.288 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.848 9.831 1.283 1.00 0.00 H new ATOM 0 HG SER A 80 1.924 10.728 -0.855 1.00 0.00 H new