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 Set 1.1: A 62 THR OG1 : rot 180:sc= 0.302 USER MOD Set 1.2: A 65 ASN : amide:sc= 0.506 K(o=0.81,f=-12!) USER MOD Set 2.1: A 45 ASN : amide:sc= 0.517 K(o=0.81,f=0.091) USER MOD Set 2.2: A 48 TYR OH : rot 30:sc= 0.293 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 -172:sc= 0 (180deg=-0.0344) USER MOD Single : A 26 GLN : amide:sc= 1.14 K(o=1.1,f=-6.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.08) 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 -33:sc= -0.543 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 52 GLN : amide:sc= 0.897 K(o=0.9,f=-5.4!) USER MOD Single : A 53 HIS : no HD1:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 60 TYR OH : rot -22:sc= 0.601 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.799 K(o=0.8,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.737 K(o=0.74,f=-3.7!) USER MOD Single : A 73 THR OG1 : rot 62:sc= 1.52 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 11.945 -5.159 -15.303 1.00 0.00 N ATOM 92 CA ILE A 7 11.958 -5.501 -13.872 1.00 0.00 C ATOM 93 C ILE A 7 13.359 -5.249 -13.295 1.00 0.00 C ATOM 94 O ILE A 7 14.361 -5.639 -13.900 1.00 0.00 O ATOM 95 CB ILE A 7 11.489 -6.959 -13.630 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.140 -7.256 -14.330 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.403 -7.247 -12.118 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.595 -8.677 -14.130 1.00 0.00 C ATOM 0 HA ILE A 7 11.248 -4.858 -13.351 1.00 0.00 H new ATOM 0 HB ILE A 7 12.230 -7.625 -14.072 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.397 -6.546 -13.967 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.257 -7.077 -15.399 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.073 -8.274 -11.961 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.385 -7.109 -11.665 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.691 -6.562 -11.657 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.648 -8.781 -14.660 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.311 -9.400 -14.521 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.438 -8.860 -13.067 1.00 0.00 H new ATOM 110 N VAL A 8 13.426 -4.616 -12.120 1.00 0.00 N ATOM 111 CA VAL A 8 14.669 -4.238 -11.425 1.00 0.00 C ATOM 112 C VAL A 8 14.610 -4.594 -9.936 1.00 0.00 C ATOM 113 O VAL A 8 13.629 -4.294 -9.255 1.00 0.00 O ATOM 114 CB VAL A 8 14.993 -2.741 -11.622 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.445 -2.457 -13.059 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.846 -1.779 -11.280 1.00 0.00 C ATOM 0 H VAL A 8 12.589 -4.341 -11.605 1.00 0.00 H new ATOM 0 HA VAL A 8 15.477 -4.816 -11.873 1.00 0.00 H new ATOM 0 HB VAL A 8 15.796 -2.550 -10.910 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.666 -1.395 -13.168 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.340 -3.039 -13.281 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.651 -2.735 -13.752 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.169 -0.752 -11.450 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.986 -1.998 -11.913 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.567 -1.903 -10.234 1.00 0.00 H new ATOM 126 N LYS A 9 15.661 -5.232 -9.409 1.00 0.00 N ATOM 127 CA LYS A 9 15.805 -5.537 -7.977 1.00 0.00 C ATOM 128 C LYS A 9 16.222 -4.293 -7.187 1.00 0.00 C ATOM 129 O LYS A 9 17.006 -3.482 -7.681 1.00 0.00 O ATOM 130 CB LYS A 9 16.785 -6.710 -7.801 1.00 0.00 C ATOM 131 CG LYS A 9 16.691 -7.346 -6.406 1.00 0.00 C ATOM 132 CD LYS A 9 17.509 -8.641 -6.337 1.00 0.00 C ATOM 133 CE LYS A 9 17.287 -9.337 -4.990 1.00 0.00 C ATOM 134 NZ LYS A 9 18.015 -10.632 -4.919 1.00 0.00 N ATOM 0 H LYS A 9 16.448 -5.556 -9.971 1.00 0.00 H new ATOM 0 HA LYS A 9 14.841 -5.842 -7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.580 -7.468 -8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.803 -6.358 -7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.053 -6.642 -5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.648 -7.557 -6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.219 -9.306 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.568 -8.418 -6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.622 -8.685 -4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.221 -9.509 -4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.843 -11.077 -3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.677 -11.262 -5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.034 -10.464 -5.038 1.00 0.00 H new ATOM 148 N VAL A 10 15.721 -4.150 -5.962 1.00 0.00 N ATOM 149 CA VAL A 10 15.949 -3.005 -5.063 1.00 0.00 C ATOM 150 C VAL A 10 16.103 -3.459 -3.608 1.00 0.00 C ATOM 151 O VAL A 10 15.587 -4.510 -3.221 1.00 0.00 O ATOM 152 CB VAL A 10 14.823 -1.952 -5.184 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.761 -1.347 -6.592 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.433 -2.497 -4.818 1.00 0.00 C ATOM 0 H VAL A 10 15.117 -4.857 -5.544 1.00 0.00 H new ATOM 0 HA VAL A 10 16.883 -2.537 -5.375 1.00 0.00 H new ATOM 0 HB VAL A 10 15.084 -1.180 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.958 -0.612 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.710 -0.862 -6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.572 -2.137 -7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.692 -1.705 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.180 -3.323 -5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.440 -2.850 -3.787 1.00 0.00 H new ATOM 164 N ALA A 11 16.794 -2.656 -2.795 1.00 0.00 N ATOM 165 CA ALA A 11 16.963 -2.876 -1.353 1.00 0.00 C ATOM 166 C ALA A 11 16.340 -1.716 -0.559 1.00 0.00 C ATOM 167 O ALA A 11 16.814 -0.586 -0.649 1.00 0.00 O ATOM 168 CB ALA A 11 18.459 -3.044 -1.054 1.00 0.00 C ATOM 0 H ALA A 11 17.264 -1.814 -3.128 1.00 0.00 H new ATOM 0 HA ALA A 11 16.444 -3.783 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.600 -3.208 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.847 -3.899 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.994 -2.144 -1.356 1.00 0.00 H new ATOM 174 N ILE A 12 15.265 -1.970 0.189 1.00 0.00 N ATOM 175 CA ILE A 12 14.442 -0.929 0.823 1.00 0.00 C ATOM 176 C ILE A 12 14.755 -0.814 2.319 1.00 0.00 C ATOM 177 O ILE A 12 14.686 -1.793 3.058 1.00 0.00 O ATOM 178 CB ILE A 12 12.939 -1.179 0.574 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.622 -1.357 -0.931 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.092 -0.020 1.146 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.309 -2.099 -1.148 1.00 0.00 C ATOM 0 H ILE A 12 14.934 -2.916 0.376 1.00 0.00 H new ATOM 0 HA ILE A 12 14.694 0.026 0.362 1.00 0.00 H new ATOM 0 HB ILE A 12 12.682 -2.106 1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.571 -0.379 -1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.433 -1.905 -1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.036 -0.215 0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.263 0.060 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.379 0.914 0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.122 -2.204 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.370 -3.087 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.494 -1.538 -0.691 1.00 0.00 H new ATOM 193 N GLU A 13 15.073 0.394 2.770 1.00 0.00 N ATOM 194 CA GLU A 13 15.332 0.755 4.168 1.00 0.00 C ATOM 195 C GLU A 13 14.045 1.016 4.977 1.00 0.00 C ATOM 196 O GLU A 13 13.076 1.586 4.464 1.00 0.00 O ATOM 197 CB GLU A 13 16.196 2.029 4.222 1.00 0.00 C ATOM 198 CG GLU A 13 17.616 1.859 3.671 1.00 0.00 C ATOM 199 CD GLU A 13 18.419 3.174 3.716 1.00 0.00 C ATOM 200 OE1 GLU A 13 19.669 3.118 3.696 1.00 0.00 O ATOM 201 OE2 GLU A 13 17.850 4.291 3.789 1.00 0.00 O ATOM 0 H GLU A 13 15.163 1.193 2.142 1.00 0.00 H new ATOM 0 HA GLU A 13 15.843 -0.097 4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.694 2.817 3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.259 2.366 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 13 18.139 1.096 4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.565 1.502 2.643 1.00 0.00 H new ATOM 208 N TRP A 14 14.081 0.679 6.270 1.00 0.00 N ATOM 209 CA TRP A 14 13.079 1.041 7.282 1.00 0.00 C ATOM 210 C TRP A 14 13.723 1.061 8.690 1.00 0.00 C ATOM 211 O TRP A 14 14.570 0.200 8.959 1.00 0.00 O ATOM 212 CB TRP A 14 11.893 0.068 7.229 1.00 0.00 C ATOM 213 CG TRP A 14 10.813 0.346 8.228 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.592 -0.350 9.365 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.848 1.443 8.242 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.559 0.231 10.076 1.00 0.00 N ATOM 217 CE2 TRP A 14 9.078 1.356 9.441 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.592 2.540 7.392 1.00 0.00 C ATOM 219 CZ2 TRP A 14 8.093 2.301 9.772 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.614 3.498 7.717 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.861 3.378 8.900 1.00 0.00 C ATOM 0 H TRP A 14 14.842 0.122 6.659 1.00 0.00 H new ATOM 0 HA TRP A 14 12.704 2.042 7.067 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.461 0.097 6.229 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.264 -0.945 7.387 1.00 0.00 H new ATOM 0 HD1 TRP A 14 11.140 -1.228 9.672 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.198 -0.128 10.960 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.156 2.646 6.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.522 2.201 10.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.440 4.332 7.053 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.106 4.113 9.137 1.00 0.00 H new ATOM 232 N PRO A 15 13.382 2.001 9.598 1.00 0.00 N ATOM 233 CA PRO A 15 14.028 2.105 10.910 1.00 0.00 C ATOM 234 C PRO A 15 13.842 0.854 11.785 1.00 0.00 C ATOM 235 O PRO A 15 12.752 0.278 11.857 1.00 0.00 O ATOM 236 CB PRO A 15 13.444 3.358 11.577 1.00 0.00 C ATOM 237 CG PRO A 15 13.005 4.207 10.386 1.00 0.00 C ATOM 238 CD PRO A 15 12.500 3.147 9.413 1.00 0.00 C ATOM 0 HA PRO A 15 15.108 2.183 10.785 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.606 3.114 12.230 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.185 3.873 12.188 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.224 4.918 10.657 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.831 4.784 9.969 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.463 2.883 9.623 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.535 3.508 8.385 1.00 0.00 H new ATOM 246 N GLY A 16 14.911 0.435 12.471 1.00 0.00 N ATOM 247 CA GLY A 16 14.913 -0.738 13.357 1.00 0.00 C ATOM 248 C GLY A 16 14.829 -2.101 12.645 1.00 0.00 C ATOM 249 O GLY A 16 14.583 -3.111 13.307 1.00 0.00 O ATOM 0 H GLY A 16 15.814 0.908 12.427 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.821 -0.716 13.959 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.072 -0.654 14.046 1.00 0.00 H new ATOM 253 N ALA A 17 15.022 -2.146 11.321 1.00 0.00 N ATOM 254 CA ALA A 17 14.938 -3.354 10.495 1.00 0.00 C ATOM 255 C ALA A 17 16.076 -3.446 9.462 1.00 0.00 C ATOM 256 O ALA A 17 16.616 -2.436 9.001 1.00 0.00 O ATOM 257 CB ALA A 17 13.562 -3.392 9.815 1.00 0.00 C ATOM 0 H ALA A 17 15.249 -1.313 10.778 1.00 0.00 H new ATOM 0 HA ALA A 17 15.055 -4.223 11.142 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.486 -4.287 9.197 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.781 -3.409 10.575 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.441 -2.508 9.190 1.00 0.00 H new ATOM 263 N TYR A 18 16.423 -4.676 9.075 1.00 0.00 N ATOM 264 CA TYR A 18 17.340 -4.956 7.966 1.00 0.00 C ATOM 265 C TYR A 18 16.702 -4.579 6.608 1.00 0.00 C ATOM 266 O TYR A 18 15.474 -4.669 6.479 1.00 0.00 O ATOM 267 CB TYR A 18 17.728 -6.441 7.989 1.00 0.00 C ATOM 268 CG TYR A 18 18.275 -6.931 9.321 1.00 0.00 C ATOM 269 CD1 TYR A 18 19.518 -6.464 9.791 1.00 0.00 C ATOM 270 CD2 TYR A 18 17.529 -7.843 10.097 1.00 0.00 C ATOM 271 CE1 TYR A 18 20.015 -6.903 11.034 1.00 0.00 C ATOM 272 CE2 TYR A 18 18.024 -8.285 11.339 1.00 0.00 C ATOM 273 CZ TYR A 18 19.269 -7.818 11.810 1.00 0.00 C ATOM 274 OH TYR A 18 19.740 -8.250 13.010 1.00 0.00 O ATOM 0 H TYR A 18 16.070 -5.518 9.530 1.00 0.00 H new ATOM 0 HA TYR A 18 18.236 -4.348 8.087 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.852 -7.036 7.730 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.475 -6.620 7.216 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.091 -5.768 9.197 1.00 0.00 H new ATOM 0 HD2 TYR A 18 16.576 -8.203 9.738 1.00 0.00 H new ATOM 0 HE1 TYR A 18 20.966 -6.540 11.394 1.00 0.00 H new ATOM 0 HE2 TYR A 18 17.450 -8.982 11.931 1.00 0.00 H new ATOM 0 HH TYR A 18 19.098 -8.875 13.408 1.00 0.00 H new ATOM 284 N PRO A 19 17.485 -4.190 5.578 1.00 0.00 N ATOM 285 CA PRO A 19 16.938 -3.809 4.276 1.00 0.00 C ATOM 286 C PRO A 19 16.149 -4.941 3.596 1.00 0.00 C ATOM 287 O PRO A 19 16.642 -6.064 3.462 1.00 0.00 O ATOM 288 CB PRO A 19 18.130 -3.353 3.425 1.00 0.00 C ATOM 289 CG PRO A 19 19.159 -2.927 4.470 1.00 0.00 C ATOM 290 CD PRO A 19 18.915 -3.917 5.607 1.00 0.00 C ATOM 0 HA PRO A 19 16.208 -3.009 4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.506 -4.158 2.794 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.862 -2.529 2.764 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.177 -2.994 4.086 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.007 -1.897 4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.493 -4.830 5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.216 -3.496 6.566 1.00 0.00 H new ATOM 298 N LYS A 20 14.927 -4.641 3.143 1.00 0.00 N ATOM 299 CA LYS A 20 14.060 -5.569 2.401 1.00 0.00 C ATOM 300 C LYS A 20 14.473 -5.622 0.931 1.00 0.00 C ATOM 301 O LYS A 20 14.281 -4.654 0.195 1.00 0.00 O ATOM 302 CB LYS A 20 12.587 -5.159 2.595 1.00 0.00 C ATOM 303 CG LYS A 20 11.607 -5.972 1.734 1.00 0.00 C ATOM 304 CD LYS A 20 10.151 -5.702 2.145 1.00 0.00 C ATOM 305 CE LYS A 20 9.129 -6.331 1.184 1.00 0.00 C ATOM 306 NZ LYS A 20 9.218 -7.815 1.119 1.00 0.00 N ATOM 0 H LYS A 20 14.501 -3.725 3.284 1.00 0.00 H new ATOM 0 HA LYS A 20 14.173 -6.581 2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.320 -5.277 3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.478 -4.101 2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.744 -5.717 0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.825 -7.035 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.985 -6.092 3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.985 -4.626 2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.124 -6.048 1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.279 -5.921 0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.504 -8.177 0.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.166 -8.092 0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.046 -8.215 2.064 1.00 0.00 H new ATOM 320 N LEU A 21 15.028 -6.754 0.499 1.00 0.00 N ATOM 321 CA LEU A 21 15.278 -7.043 -0.914 1.00 0.00 C ATOM 322 C LEU A 21 13.965 -7.451 -1.603 1.00 0.00 C ATOM 323 O LEU A 21 13.283 -8.371 -1.144 1.00 0.00 O ATOM 324 CB LEU A 21 16.343 -8.150 -1.043 1.00 0.00 C ATOM 325 CG LEU A 21 17.757 -7.709 -0.624 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.661 -8.930 -0.449 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.399 -6.797 -1.672 1.00 0.00 C ATOM 0 H LEU A 21 15.320 -7.504 1.126 1.00 0.00 H new ATOM 0 HA LEU A 21 15.658 -6.148 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.043 -9.002 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.372 -8.494 -2.077 1.00 0.00 H new ATOM 0 HG LEU A 21 17.654 -7.164 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.658 -8.605 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.248 -9.581 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.722 -9.475 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.396 -6.507 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.473 -7.329 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.786 -5.905 -1.802 1.00 0.00 H new ATOM 339 N MET A 22 13.617 -6.783 -2.704 1.00 0.00 N ATOM 340 CA MET A 22 12.467 -7.128 -3.554 1.00 0.00 C ATOM 341 C MET A 22 12.660 -6.629 -4.995 1.00 0.00 C ATOM 342 O MET A 22 13.650 -5.964 -5.297 1.00 0.00 O ATOM 343 CB MET A 22 11.163 -6.599 -2.927 1.00 0.00 C ATOM 344 CG MET A 22 10.905 -5.102 -3.114 1.00 0.00 C ATOM 345 SD MET A 22 9.290 -4.593 -2.464 1.00 0.00 S ATOM 346 CE MET A 22 8.193 -5.186 -3.779 1.00 0.00 C ATOM 0 H MET A 22 14.134 -5.971 -3.040 1.00 0.00 H new ATOM 0 HA MET A 22 12.394 -8.214 -3.611 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.325 -7.151 -3.353 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.179 -6.817 -1.859 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.690 -4.535 -2.613 1.00 0.00 H new ATOM 0 HG3 MET A 22 10.961 -4.856 -4.174 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.180 -4.825 -3.598 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.544 -4.814 -4.741 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.193 -6.276 -3.789 1.00 0.00 H new ATOM 356 N GLU A 23 11.716 -6.917 -5.892 1.00 0.00 N ATOM 357 CA GLU A 23 11.738 -6.452 -7.282 1.00 0.00 C ATOM 358 C GLU A 23 10.615 -5.451 -7.587 1.00 0.00 C ATOM 359 O GLU A 23 9.455 -5.658 -7.223 1.00 0.00 O ATOM 360 CB GLU A 23 11.677 -7.638 -8.255 1.00 0.00 C ATOM 361 CG GLU A 23 12.890 -8.580 -8.168 1.00 0.00 C ATOM 362 CD GLU A 23 12.839 -9.580 -6.991 1.00 0.00 C ATOM 363 OE1 GLU A 23 13.903 -9.852 -6.385 1.00 0.00 O ATOM 364 OE2 GLU A 23 11.753 -10.132 -6.683 1.00 0.00 O ATOM 0 H GLU A 23 10.901 -7.489 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 23 12.683 -5.926 -7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.770 -8.210 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.598 -7.256 -9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.968 -9.139 -9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.795 -7.979 -8.080 1.00 0.00 H new ATOM 371 N ILE A 24 10.966 -4.380 -8.301 1.00 0.00 N ATOM 372 CA ILE A 24 10.041 -3.412 -8.896 1.00 0.00 C ATOM 373 C ILE A 24 9.828 -3.803 -10.360 1.00 0.00 C ATOM 374 O ILE A 24 10.728 -3.679 -11.193 1.00 0.00 O ATOM 375 CB ILE A 24 10.572 -1.966 -8.721 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.486 -1.593 -7.223 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.809 -0.945 -9.594 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.945 -0.172 -6.877 1.00 0.00 C ATOM 0 H ILE A 24 11.943 -4.153 -8.489 1.00 0.00 H new ATOM 0 HA ILE A 24 9.076 -3.431 -8.390 1.00 0.00 H new ATOM 0 HB ILE A 24 11.608 -1.930 -9.059 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.454 -1.715 -6.893 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.088 -2.301 -6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.221 0.051 -9.433 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.913 -1.215 -10.645 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.754 -0.950 -9.321 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.846 -0.009 -5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.988 -0.045 -7.169 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.328 0.550 -7.412 1.00 0.00 H new ATOM 390 N ASP A 25 8.629 -4.292 -10.672 1.00 0.00 N ATOM 391 CA ASP A 25 8.162 -4.494 -12.043 1.00 0.00 C ATOM 392 C ASP A 25 7.583 -3.172 -12.559 1.00 0.00 C ATOM 393 O ASP A 25 6.596 -2.668 -12.018 1.00 0.00 O ATOM 394 CB ASP A 25 7.137 -5.641 -12.061 1.00 0.00 C ATOM 395 CG ASP A 25 6.528 -5.947 -13.442 1.00 0.00 C ATOM 396 OD1 ASP A 25 6.763 -5.189 -14.408 1.00 0.00 O ATOM 397 OD2 ASP A 25 5.794 -6.958 -13.547 1.00 0.00 O ATOM 0 H ASP A 25 7.943 -4.564 -9.968 1.00 0.00 H new ATOM 0 HA ASP A 25 8.978 -4.781 -12.706 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.618 -6.544 -11.684 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.330 -5.398 -11.370 1.00 0.00 H new ATOM 402 N GLN A 26 8.188 -2.597 -13.598 1.00 0.00 N ATOM 403 CA GLN A 26 7.789 -1.302 -14.157 1.00 0.00 C ATOM 404 C GLN A 26 6.398 -1.322 -14.826 1.00 0.00 C ATOM 405 O GLN A 26 5.838 -0.255 -15.092 1.00 0.00 O ATOM 406 CB GLN A 26 8.891 -0.758 -15.087 1.00 0.00 C ATOM 407 CG GLN A 26 10.278 -0.582 -14.426 1.00 0.00 C ATOM 408 CD GLN A 26 10.392 0.568 -13.415 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.443 0.989 -12.763 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.571 1.123 -13.235 1.00 0.00 N ATOM 0 H GLN A 26 8.979 -3.021 -14.082 1.00 0.00 H new ATOM 0 HA GLN A 26 7.679 -0.610 -13.322 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.994 -1.433 -15.937 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.569 0.206 -15.482 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.541 -1.512 -13.922 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.017 -0.426 -15.212 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.377 0.791 -13.765 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.679 1.885 -12.566 1.00 0.00 H new ATOM 419 N LYS A 27 5.805 -2.506 -15.055 1.00 0.00 N ATOM 420 CA LYS A 27 4.408 -2.675 -15.501 1.00 0.00 C ATOM 421 C LYS A 27 3.391 -2.711 -14.345 1.00 0.00 C ATOM 422 O LYS A 27 2.216 -2.419 -14.578 1.00 0.00 O ATOM 423 CB LYS A 27 4.284 -3.952 -16.359 1.00 0.00 C ATOM 424 CG LYS A 27 5.263 -4.045 -17.547 1.00 0.00 C ATOM 425 CD LYS A 27 5.218 -2.870 -18.538 1.00 0.00 C ATOM 426 CE LYS A 27 3.835 -2.714 -19.188 1.00 0.00 C ATOM 427 NZ LYS A 27 3.825 -1.622 -20.197 1.00 0.00 N ATOM 0 H LYS A 27 6.293 -3.393 -14.933 1.00 0.00 H new ATOM 0 HA LYS A 27 4.162 -1.795 -16.095 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.436 -4.819 -15.715 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.266 -4.015 -16.743 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.276 -4.127 -17.154 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.057 -4.966 -18.093 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.480 -1.948 -18.019 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.968 -3.022 -19.314 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.548 -3.652 -19.663 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.092 -2.506 -18.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.876 -1.545 -20.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.075 -0.723 -19.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.517 -1.833 -20.944 1.00 0.00 H new ATOM 441 N LYS A 28 3.805 -3.048 -13.112 1.00 0.00 N ATOM 442 CA LYS A 28 2.943 -3.031 -11.908 1.00 0.00 C ATOM 443 C LYS A 28 2.831 -1.620 -11.314 1.00 0.00 C ATOM 444 O LYS A 28 3.837 -0.908 -11.290 1.00 0.00 O ATOM 445 CB LYS A 28 3.465 -4.003 -10.834 1.00 0.00 C ATOM 446 CG LYS A 28 3.118 -5.458 -11.171 1.00 0.00 C ATOM 447 CD LYS A 28 3.642 -6.452 -10.122 1.00 0.00 C ATOM 448 CE LYS A 28 2.903 -6.336 -8.782 1.00 0.00 C ATOM 449 NZ LYS A 28 3.371 -7.360 -7.817 1.00 0.00 N ATOM 0 H LYS A 28 4.761 -3.345 -12.916 1.00 0.00 H new ATOM 0 HA LYS A 28 1.952 -3.354 -12.225 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.546 -3.898 -10.743 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.036 -3.741 -9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.036 -5.559 -11.253 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.536 -5.710 -12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.537 -7.467 -10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.706 -6.279 -9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.058 -5.341 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.831 -6.450 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.774 -7.334 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.310 -8.302 -8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.358 -7.163 -7.554 1.00 0.00 H new ATOM 463 N PRO A 29 1.663 -1.207 -10.790 1.00 0.00 N ATOM 464 CA PRO A 29 1.484 0.096 -10.147 1.00 0.00 C ATOM 465 C PRO A 29 2.269 0.191 -8.838 1.00 0.00 C ATOM 466 O PRO A 29 2.352 -0.774 -8.072 1.00 0.00 O ATOM 467 CB PRO A 29 -0.023 0.224 -9.897 1.00 0.00 C ATOM 468 CG PRO A 29 -0.494 -1.222 -9.768 1.00 0.00 C ATOM 469 CD PRO A 29 0.441 -1.997 -10.690 1.00 0.00 C ATOM 0 HA PRO A 29 1.861 0.903 -10.776 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.231 0.795 -8.992 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.523 0.736 -10.719 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.423 -1.575 -8.739 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.535 -1.331 -10.071 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.650 -2.988 -10.288 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.011 -2.140 -11.671 1.00 0.00 H new ATOM 477 N LEU A 30 2.790 1.381 -8.540 1.00 0.00 N ATOM 478 CA LEU A 30 3.509 1.644 -7.292 1.00 0.00 C ATOM 479 C LEU A 30 2.629 1.410 -6.060 1.00 0.00 C ATOM 480 O LEU A 30 3.135 0.926 -5.056 1.00 0.00 O ATOM 481 CB LEU A 30 4.065 3.076 -7.305 1.00 0.00 C ATOM 482 CG LEU A 30 5.232 3.265 -8.288 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.439 4.753 -8.531 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.542 2.667 -7.768 1.00 0.00 C ATOM 0 H LEU A 30 2.726 2.191 -9.157 1.00 0.00 H new ATOM 0 HA LEU A 30 4.337 0.938 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.264 3.767 -7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.398 3.338 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 30 4.971 2.743 -9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.265 4.896 -9.227 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.530 5.183 -8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.670 5.247 -7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.332 2.829 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.814 3.149 -6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.413 1.597 -7.603 1.00 0.00 H new ATOM 496 N SER A 31 1.317 1.659 -6.133 1.00 0.00 N ATOM 497 CA SER A 31 0.374 1.389 -5.033 1.00 0.00 C ATOM 498 C SER A 31 0.361 -0.092 -4.616 1.00 0.00 C ATOM 499 O SER A 31 0.400 -0.396 -3.422 1.00 0.00 O ATOM 500 CB SER A 31 -1.043 1.814 -5.438 1.00 0.00 C ATOM 501 OG SER A 31 -1.062 3.158 -5.900 1.00 0.00 O ATOM 0 H SER A 31 0.873 2.056 -6.961 1.00 0.00 H new ATOM 0 HA SER A 31 0.713 1.971 -4.176 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.415 1.152 -6.220 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.715 1.710 -4.586 1.00 0.00 H new ATOM 0 HG SER A 31 -1.976 3.404 -6.154 1.00 0.00 H new ATOM 507 N ALA A 32 0.370 -1.017 -5.585 1.00 0.00 N ATOM 508 CA ALA A 32 0.467 -2.456 -5.317 1.00 0.00 C ATOM 509 C ALA A 32 1.858 -2.851 -4.784 1.00 0.00 C ATOM 510 O ALA A 32 1.968 -3.651 -3.854 1.00 0.00 O ATOM 511 CB ALA A 32 0.129 -3.221 -6.604 1.00 0.00 C ATOM 0 H ALA A 32 0.310 -0.787 -6.577 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.246 -2.718 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.197 -4.293 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.884 -2.971 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.833 -2.943 -7.388 1.00 0.00 H new ATOM 517 N ILE A 33 2.921 -2.249 -5.329 1.00 0.00 N ATOM 518 CA ILE A 33 4.302 -2.475 -4.878 1.00 0.00 C ATOM 519 C ILE A 33 4.483 -2.004 -3.426 1.00 0.00 C ATOM 520 O ILE A 33 4.996 -2.758 -2.610 1.00 0.00 O ATOM 521 CB ILE A 33 5.298 -1.813 -5.858 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.222 -2.520 -7.234 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.741 -1.843 -5.318 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.971 -1.804 -8.362 1.00 0.00 C ATOM 0 H ILE A 33 2.848 -1.586 -6.101 1.00 0.00 H new ATOM 0 HA ILE A 33 4.515 -3.544 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 33 5.016 -0.766 -5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.623 -3.528 -7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.175 -2.621 -7.518 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.408 -1.368 -6.037 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.786 -1.306 -4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.050 -2.877 -5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.863 -2.370 -9.287 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.556 -0.805 -8.497 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.028 -1.726 -8.105 1.00 0.00 H new ATOM 536 N ILE A 34 4.003 -0.810 -3.061 1.00 0.00 N ATOM 537 CA ILE A 34 4.074 -0.252 -1.697 1.00 0.00 C ATOM 538 C ILE A 34 3.328 -1.143 -0.690 1.00 0.00 C ATOM 539 O ILE A 34 3.836 -1.370 0.411 1.00 0.00 O ATOM 540 CB ILE A 34 3.557 1.208 -1.699 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.549 2.138 -2.444 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.347 1.753 -0.273 1.00 0.00 C ATOM 543 CD1 ILE A 34 3.884 3.408 -2.990 1.00 0.00 C ATOM 0 H ILE A 34 3.541 -0.184 -3.721 1.00 0.00 H new ATOM 0 HA ILE A 34 5.114 -0.234 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 34 2.595 1.196 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.355 2.419 -1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.004 1.589 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.984 2.779 -0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.615 1.136 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.293 1.730 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.629 4.018 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.097 3.133 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.453 3.976 -2.166 1.00 0.00 H new ATOM 555 N LYS A 35 2.180 -1.724 -1.074 1.00 0.00 N ATOM 556 CA LYS A 35 1.470 -2.731 -0.265 1.00 0.00 C ATOM 557 C LYS A 35 2.313 -3.998 -0.041 1.00 0.00 C ATOM 558 O LYS A 35 2.337 -4.548 1.059 1.00 0.00 O ATOM 559 CB LYS A 35 0.112 -3.045 -0.915 1.00 0.00 C ATOM 560 CG LYS A 35 -0.803 -3.844 0.026 1.00 0.00 C ATOM 561 CD LYS A 35 -2.152 -4.145 -0.639 1.00 0.00 C ATOM 562 CE LYS A 35 -3.071 -4.864 0.354 1.00 0.00 C ATOM 563 NZ LYS A 35 -4.379 -5.216 -0.262 1.00 0.00 N ATOM 0 H LYS A 35 1.716 -1.509 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 35 1.294 -2.317 0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.380 -2.114 -1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.271 -3.611 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.316 -4.778 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.965 -3.281 0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.618 -3.218 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.002 -4.764 -1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.582 -5.770 0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.238 -4.227 1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.974 -5.701 0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.857 -4.349 -0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.222 -5.844 -1.076 1.00 0.00 H new ATOM 577 N GLU A 36 3.059 -4.439 -1.053 1.00 0.00 N ATOM 578 CA GLU A 36 4.016 -5.541 -0.951 1.00 0.00 C ATOM 579 C GLU A 36 5.278 -5.178 -0.135 1.00 0.00 C ATOM 580 O GLU A 36 5.883 -6.072 0.464 1.00 0.00 O ATOM 581 CB GLU A 36 4.356 -6.010 -2.373 1.00 0.00 C ATOM 582 CG GLU A 36 3.204 -6.810 -3.005 1.00 0.00 C ATOM 583 CD GLU A 36 3.376 -7.024 -4.521 1.00 0.00 C ATOM 584 OE1 GLU A 36 4.517 -7.034 -5.041 1.00 0.00 O ATOM 585 OE2 GLU A 36 2.358 -7.219 -5.228 1.00 0.00 O ATOM 0 H GLU A 36 3.014 -4.032 -1.987 1.00 0.00 H new ATOM 0 HA GLU A 36 3.558 -6.357 -0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.582 -5.145 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.254 -6.627 -2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.131 -7.780 -2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.265 -6.288 -2.822 1.00 0.00 H new ATOM 592 N VAL A 37 5.656 -3.893 -0.034 1.00 0.00 N ATOM 593 CA VAL A 37 6.702 -3.434 0.902 1.00 0.00 C ATOM 594 C VAL A 37 6.212 -3.528 2.350 1.00 0.00 C ATOM 595 O VAL A 37 6.838 -4.205 3.166 1.00 0.00 O ATOM 596 CB VAL A 37 7.205 -1.993 0.653 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.425 -1.720 1.541 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.645 -1.699 -0.779 1.00 0.00 C ATOM 0 H VAL A 37 5.249 -3.145 -0.595 1.00 0.00 H new ATOM 0 HA VAL A 37 7.543 -4.104 0.722 1.00 0.00 H new ATOM 0 HB VAL A 37 6.347 -1.359 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.782 -0.705 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.145 -1.832 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.217 -2.429 1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.980 -0.664 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.463 -2.365 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.806 -1.857 -1.457 1.00 0.00 H new ATOM 608 N CYS A 38 5.104 -2.851 2.677 1.00 0.00 N ATOM 609 CA CYS A 38 4.647 -2.665 4.058 1.00 0.00 C ATOM 610 C CYS A 38 4.276 -3.993 4.744 1.00 0.00 C ATOM 611 O CYS A 38 4.558 -4.166 5.930 1.00 0.00 O ATOM 612 CB CYS A 38 3.504 -1.636 4.064 1.00 0.00 C ATOM 613 SG CYS A 38 1.958 -2.317 3.413 1.00 0.00 S ATOM 0 H CYS A 38 4.496 -2.414 1.985 1.00 0.00 H new ATOM 0 HA CYS A 38 5.468 -2.274 4.659 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.342 -1.283 5.083 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.795 -0.770 3.469 1.00 0.00 H new ATOM 0 HG CYS A 38 2.224 -3.189 2.486 1.00 0.00 H new ATOM 619 N ASP A 39 3.744 -4.965 3.994 1.00 0.00 N ATOM 620 CA ASP A 39 3.452 -6.322 4.473 1.00 0.00 C ATOM 621 C ASP A 39 4.712 -7.080 4.948 1.00 0.00 C ATOM 622 O ASP A 39 4.630 -7.922 5.844 1.00 0.00 O ATOM 623 CB ASP A 39 2.757 -7.091 3.340 1.00 0.00 C ATOM 624 CG ASP A 39 2.251 -8.479 3.771 1.00 0.00 C ATOM 625 OD1 ASP A 39 1.572 -8.586 4.821 1.00 0.00 O ATOM 626 OD2 ASP A 39 2.491 -9.464 3.031 1.00 0.00 O ATOM 0 H ASP A 39 3.499 -4.827 3.014 1.00 0.00 H new ATOM 0 HA ASP A 39 2.804 -6.244 5.346 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.916 -6.503 2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.452 -7.207 2.508 1.00 0.00 H new ATOM 631 N GLY A 40 5.892 -6.743 4.411 1.00 0.00 N ATOM 632 CA GLY A 40 7.184 -7.296 4.839 1.00 0.00 C ATOM 633 C GLY A 40 7.597 -6.902 6.266 1.00 0.00 C ATOM 634 O GLY A 40 8.359 -7.628 6.907 1.00 0.00 O ATOM 0 H GLY A 40 5.977 -6.066 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.141 -8.383 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.956 -6.964 4.145 1.00 0.00 H new ATOM 638 N TRP A 41 7.055 -5.792 6.783 1.00 0.00 N ATOM 639 CA TRP A 41 7.242 -5.298 8.153 1.00 0.00 C ATOM 640 C TRP A 41 5.925 -5.210 8.955 1.00 0.00 C ATOM 641 O TRP A 41 5.891 -4.620 10.037 1.00 0.00 O ATOM 642 CB TRP A 41 7.993 -3.961 8.084 1.00 0.00 C ATOM 643 CG TRP A 41 9.380 -4.024 7.513 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.379 -4.822 7.956 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.947 -3.263 6.401 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.515 -4.616 7.197 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.312 -3.650 6.237 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.451 -2.279 5.517 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.145 -3.085 5.264 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.280 -1.707 4.533 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.619 -2.107 4.405 1.00 0.00 C ATOM 0 H TRP A 41 6.446 -5.186 6.232 1.00 0.00 H new ATOM 0 HA TRP A 41 7.840 -6.018 8.712 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.405 -3.265 7.486 1.00 0.00 H new ATOM 0 HB3 TRP A 41 8.052 -3.546 9.090 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.300 -5.516 8.780 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.394 -5.117 7.331 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.422 -1.961 5.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.175 -3.396 5.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.881 -0.953 3.870 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.245 -1.662 3.646 1.00 0.00 H new ATOM 662 N SER A 42 4.837 -5.798 8.439 1.00 0.00 N ATOM 663 CA SER A 42 3.472 -5.748 9.003 1.00 0.00 C ATOM 664 C SER A 42 2.936 -4.321 9.249 1.00 0.00 C ATOM 665 O SER A 42 2.141 -4.094 10.166 1.00 0.00 O ATOM 666 CB SER A 42 3.350 -6.640 10.252 1.00 0.00 C ATOM 667 OG SER A 42 3.725 -7.982 9.968 1.00 0.00 O ATOM 0 H SER A 42 4.881 -6.346 7.580 1.00 0.00 H new ATOM 0 HA SER A 42 2.820 -6.156 8.231 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.982 -6.244 11.047 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.324 -6.617 10.619 1.00 0.00 H new ATOM 0 HG SER A 42 3.639 -8.524 10.780 1.00 0.00 H new ATOM 673 N LEU A 43 3.372 -3.342 8.448 1.00 0.00 N ATOM 674 CA LEU A 43 2.958 -1.938 8.549 1.00 0.00 C ATOM 675 C LEU A 43 1.557 -1.745 7.939 1.00 0.00 C ATOM 676 O LEU A 43 1.300 -2.146 6.801 1.00 0.00 O ATOM 677 CB LEU A 43 4.023 -1.053 7.875 1.00 0.00 C ATOM 678 CG LEU A 43 5.361 -0.989 8.635 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.437 -0.404 7.724 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.275 -0.133 9.899 1.00 0.00 C ATOM 0 H LEU A 43 4.038 -3.508 7.694 1.00 0.00 H new ATOM 0 HA LEU A 43 2.884 -1.640 9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.207 -1.428 6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.628 -0.043 7.772 1.00 0.00 H new ATOM 0 HG LEU A 43 5.610 -2.008 8.933 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.384 -0.359 8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.550 -1.035 6.843 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.146 0.600 7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.244 -0.121 10.397 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.992 0.885 9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.527 -0.552 10.572 1.00 0.00 H new ATOM 692 N ALA A 44 0.646 -1.147 8.710 1.00 0.00 N ATOM 693 CA ALA A 44 -0.754 -0.945 8.335 1.00 0.00 C ATOM 694 C ALA A 44 -0.965 0.234 7.360 1.00 0.00 C ATOM 695 O ALA A 44 -0.141 1.148 7.275 1.00 0.00 O ATOM 696 CB ALA A 44 -1.570 -0.755 9.623 1.00 0.00 C ATOM 0 H ALA A 44 0.868 -0.781 9.636 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.094 -1.826 7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.619 -0.602 9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.473 -1.642 10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.197 0.114 10.165 1.00 0.00 H new ATOM 702 N ASN A 45 -2.116 0.224 6.676 1.00 0.00 N ATOM 703 CA ASN A 45 -2.656 1.311 5.845 1.00 0.00 C ATOM 704 C ASN A 45 -1.645 1.844 4.805 1.00 0.00 C ATOM 705 O ASN A 45 -1.168 2.979 4.887 1.00 0.00 O ATOM 706 CB ASN A 45 -3.285 2.399 6.745 1.00 0.00 C ATOM 707 CG ASN A 45 -4.438 1.907 7.615 1.00 0.00 C ATOM 708 OD1 ASN A 45 -4.884 0.768 7.556 1.00 0.00 O ATOM 709 ND2 ASN A 45 -4.982 2.754 8.459 1.00 0.00 N ATOM 0 H ASN A 45 -2.732 -0.589 6.687 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.457 0.907 5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.510 2.813 7.390 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.643 3.213 6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.760 2.458 9.049 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.626 3.708 8.525 1.00 0.00 H new ATOM 716 N HIS A 46 -1.331 1.019 3.798 1.00 0.00 N ATOM 717 CA HIS A 46 -0.333 1.315 2.756 1.00 0.00 C ATOM 718 C HIS A 46 -0.662 2.565 1.921 1.00 0.00 C ATOM 719 O HIS A 46 0.233 3.151 1.318 1.00 0.00 O ATOM 720 CB HIS A 46 -0.191 0.087 1.849 1.00 0.00 C ATOM 721 CG HIS A 46 -1.348 -0.113 0.908 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.544 -0.772 1.205 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.426 0.409 -0.347 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.307 -0.646 0.105 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.661 0.059 -0.840 1.00 0.00 N ATOM 0 H HIS A 46 -1.772 0.107 3.680 1.00 0.00 H new ATOM 0 HA HIS A 46 0.608 1.538 3.259 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.726 0.181 1.267 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.084 -0.802 2.471 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.667 0.985 -0.855 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.301 -1.054 -0.004 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.024 0.294 -1.764 1.00 0.00 H new ATOM 733 N GLU A 47 -1.923 3.012 1.931 1.00 0.00 N ATOM 734 CA GLU A 47 -2.377 4.284 1.348 1.00 0.00 C ATOM 735 C GLU A 47 -1.599 5.501 1.883 1.00 0.00 C ATOM 736 O GLU A 47 -1.458 6.506 1.183 1.00 0.00 O ATOM 737 CB GLU A 47 -3.868 4.492 1.681 1.00 0.00 C ATOM 738 CG GLU A 47 -4.823 3.388 1.201 1.00 0.00 C ATOM 739 CD GLU A 47 -4.881 3.208 -0.333 1.00 0.00 C ATOM 740 OE1 GLU A 47 -5.331 2.130 -0.792 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.527 4.142 -1.093 1.00 0.00 O ATOM 0 H GLU A 47 -2.682 2.482 2.359 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.205 4.216 0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.969 4.588 2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.189 5.438 1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.521 2.443 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.826 3.610 1.566 1.00 0.00 H new ATOM 748 N TYR A 48 -1.084 5.422 3.117 1.00 0.00 N ATOM 749 CA TYR A 48 -0.291 6.486 3.741 1.00 0.00 C ATOM 750 C TYR A 48 1.162 6.528 3.245 1.00 0.00 C ATOM 751 O TYR A 48 1.855 7.520 3.467 1.00 0.00 O ATOM 752 CB TYR A 48 -0.244 6.285 5.266 1.00 0.00 C ATOM 753 CG TYR A 48 -1.539 6.177 6.052 1.00 0.00 C ATOM 754 CD1 TYR A 48 -2.810 6.419 5.486 1.00 0.00 C ATOM 755 CD2 TYR A 48 -1.439 5.816 7.410 1.00 0.00 C ATOM 756 CE1 TYR A 48 -3.972 6.264 6.267 1.00 0.00 C ATOM 757 CE2 TYR A 48 -2.593 5.688 8.199 1.00 0.00 C ATOM 758 CZ TYR A 48 -3.864 5.908 7.629 1.00 0.00 C ATOM 759 OH TYR A 48 -4.979 5.748 8.393 1.00 0.00 O ATOM 0 H TYR A 48 -1.209 4.606 3.717 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.782 7.420 3.468 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.329 5.378 5.457 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.324 7.115 5.686 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.891 6.723 4.453 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.468 5.636 7.847 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.945 6.417 5.824 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.507 5.421 9.242 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.720 5.442 7.830 1.00 0.00 H new ATOM 769 N PHE A 49 1.651 5.448 2.633 1.00 0.00 N ATOM 770 CA PHE A 49 3.063 5.240 2.318 1.00 0.00 C ATOM 771 C PHE A 49 3.443 5.561 0.871 1.00 0.00 C ATOM 772 O PHE A 49 2.620 5.553 -0.047 1.00 0.00 O ATOM 773 CB PHE A 49 3.465 3.809 2.708 1.00 0.00 C ATOM 774 CG PHE A 49 3.665 3.644 4.202 1.00 0.00 C ATOM 775 CD1 PHE A 49 4.954 3.781 4.750 1.00 0.00 C ATOM 776 CD2 PHE A 49 2.568 3.405 5.051 1.00 0.00 C ATOM 777 CE1 PHE A 49 5.143 3.678 6.139 1.00 0.00 C ATOM 778 CE2 PHE A 49 2.758 3.300 6.440 1.00 0.00 C ATOM 779 CZ PHE A 49 4.046 3.435 6.985 1.00 0.00 C ATOM 0 H PHE A 49 1.058 4.673 2.335 1.00 0.00 H new ATOM 0 HA PHE A 49 3.629 5.959 2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.696 3.115 2.370 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.386 3.541 2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.799 3.965 4.103 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.577 3.302 4.634 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.133 3.786 6.558 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.914 3.116 7.088 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.193 3.352 8.052 1.00 0.00 H new ATOM 789 N ALA A 50 4.738 5.810 0.689 1.00 0.00 N ATOM 790 CA ALA A 50 5.418 5.972 -0.584 1.00 0.00 C ATOM 791 C ALA A 50 6.865 5.459 -0.484 1.00 0.00 C ATOM 792 O ALA A 50 7.491 5.503 0.580 1.00 0.00 O ATOM 793 CB ALA A 50 5.359 7.450 -0.991 1.00 0.00 C ATOM 0 H ALA A 50 5.376 5.909 1.479 1.00 0.00 H new ATOM 0 HA ALA A 50 4.923 5.381 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.867 7.585 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.318 7.760 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.850 8.057 -0.230 1.00 0.00 H new ATOM 799 N LEU A 51 7.400 4.964 -1.599 1.00 0.00 N ATOM 800 CA LEU A 51 8.829 4.686 -1.722 1.00 0.00 C ATOM 801 C LEU A 51 9.590 6.004 -1.928 1.00 0.00 C ATOM 802 O LEU A 51 9.049 6.985 -2.439 1.00 0.00 O ATOM 803 CB LEU A 51 9.072 3.684 -2.867 1.00 0.00 C ATOM 804 CG LEU A 51 8.860 2.217 -2.445 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.800 1.323 -3.684 1.00 0.00 C ATOM 806 CD2 LEU A 51 10.002 1.716 -1.553 1.00 0.00 C ATOM 0 H LEU A 51 6.860 4.746 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 51 9.204 4.227 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.402 3.918 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.090 3.805 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 51 7.924 2.172 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.650 0.287 -3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.972 1.637 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.735 1.406 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.818 0.678 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.945 1.785 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.056 2.328 -0.653 1.00 0.00 H new ATOM 818 N GLN A 52 10.862 6.012 -1.547 1.00 0.00 N ATOM 819 CA GLN A 52 11.790 7.138 -1.652 1.00 0.00 C ATOM 820 C GLN A 52 13.208 6.592 -1.870 1.00 0.00 C ATOM 821 O GLN A 52 13.488 5.446 -1.526 1.00 0.00 O ATOM 822 CB GLN A 52 11.631 7.989 -0.376 1.00 0.00 C ATOM 823 CG GLN A 52 12.481 9.264 -0.315 1.00 0.00 C ATOM 824 CD GLN A 52 12.145 10.099 0.913 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.813 10.036 1.937 1.00 0.00 O ATOM 826 NE2 GLN A 52 11.110 10.908 0.876 1.00 0.00 N ATOM 0 H GLN A 52 11.300 5.189 -1.133 1.00 0.00 H new ATOM 0 HA GLN A 52 11.580 7.784 -2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.582 8.269 -0.277 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.878 7.368 0.485 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.538 8.998 -0.297 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.316 9.856 -1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.543 10.972 0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.874 11.472 1.693 1.00 0.00 H new ATOM 835 N HIS A 53 14.120 7.371 -2.449 1.00 0.00 N ATOM 836 CA HIS A 53 15.543 6.994 -2.512 1.00 0.00 C ATOM 837 C HIS A 53 16.192 6.962 -1.119 1.00 0.00 C ATOM 838 O HIS A 53 15.808 7.716 -0.226 1.00 0.00 O ATOM 839 CB HIS A 53 16.286 7.944 -3.453 1.00 0.00 C ATOM 840 CG HIS A 53 16.146 7.551 -4.903 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.916 6.581 -5.549 1.00 0.00 N ATOM 842 CD2 HIS A 53 15.213 8.026 -5.777 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.436 6.502 -6.802 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.415 7.361 -6.967 1.00 0.00 N ATOM 0 H HIS A 53 13.905 8.269 -2.883 1.00 0.00 H new ATOM 0 HA HIS A 53 15.611 5.980 -2.907 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.905 8.956 -3.316 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.343 7.962 -3.186 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.463 8.776 -5.576 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.817 5.842 -7.568 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.881 7.497 -7.826 1.00 0.00 H new ATOM 930 N TYR A 60 10.707 11.183 -3.354 1.00 0.00 N ATOM 931 CA TYR A 60 9.564 10.270 -3.389 1.00 0.00 C ATOM 932 C TYR A 60 9.361 9.707 -4.805 1.00 0.00 C ATOM 933 O TYR A 60 9.423 10.436 -5.801 1.00 0.00 O ATOM 934 CB TYR A 60 8.296 10.986 -2.908 1.00 0.00 C ATOM 935 CG TYR A 60 8.241 11.268 -1.418 1.00 0.00 C ATOM 936 CD1 TYR A 60 7.877 10.233 -0.536 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.486 12.562 -0.915 1.00 0.00 C ATOM 938 CE1 TYR A 60 7.704 10.499 0.835 1.00 0.00 C ATOM 939 CE2 TYR A 60 8.336 12.823 0.462 1.00 0.00 C ATOM 940 CZ TYR A 60 7.928 11.796 1.340 1.00 0.00 C ATOM 941 OH TYR A 60 7.737 12.065 2.659 1.00 0.00 O ATOM 0 HA TYR A 60 9.769 9.436 -2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.205 11.931 -3.444 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.431 10.381 -3.180 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.730 9.232 -0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.789 13.353 -1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.399 9.707 1.503 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.534 13.813 0.847 1.00 0.00 H new ATOM 0 HH TYR A 60 7.135 11.396 3.045 1.00 0.00 H new ATOM 951 N ILE A 61 9.121 8.399 -4.893 1.00 0.00 N ATOM 952 CA ILE A 61 8.957 7.681 -6.159 1.00 0.00 C ATOM 953 C ILE A 61 7.532 7.868 -6.706 1.00 0.00 C ATOM 954 O ILE A 61 6.549 7.743 -5.972 1.00 0.00 O ATOM 955 CB ILE A 61 9.370 6.200 -6.010 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.804 6.024 -5.447 1.00 0.00 C ATOM 957 CG2 ILE A 61 9.233 5.448 -7.346 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.931 6.784 -6.166 1.00 0.00 C ATOM 0 H ILE A 61 9.033 7.798 -4.074 1.00 0.00 H new ATOM 0 HA ILE A 61 9.630 8.108 -6.903 1.00 0.00 H new ATOM 0 HB ILE A 61 8.682 5.769 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.799 6.334 -4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.047 4.962 -5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.531 4.408 -7.210 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.197 5.488 -7.681 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.875 5.914 -8.094 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.881 6.576 -5.675 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.982 6.461 -7.206 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.730 7.855 -6.128 1.00 0.00 H new ATOM 970 N THR A 62 7.425 8.159 -8.002 1.00 0.00 N ATOM 971 CA THR A 62 6.179 8.452 -8.732 1.00 0.00 C ATOM 972 C THR A 62 6.100 7.646 -10.027 1.00 0.00 C ATOM 973 O THR A 62 7.111 7.159 -10.534 1.00 0.00 O ATOM 974 CB THR A 62 6.044 9.951 -9.070 1.00 0.00 C ATOM 975 OG1 THR A 62 6.947 10.323 -10.095 1.00 0.00 O ATOM 976 CG2 THR A 62 6.275 10.874 -7.874 1.00 0.00 C ATOM 0 H THR A 62 8.244 8.200 -8.608 1.00 0.00 H new ATOM 0 HA THR A 62 5.361 8.168 -8.070 1.00 0.00 H new ATOM 0 HB THR A 62 5.012 10.075 -9.397 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.842 11.277 -10.293 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.164 11.912 -8.188 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.546 10.650 -7.096 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.281 10.719 -7.484 1.00 0.00 H new ATOM 984 N GLU A 63 4.904 7.537 -10.614 1.00 0.00 N ATOM 985 CA GLU A 63 4.700 6.836 -11.894 1.00 0.00 C ATOM 986 C GLU A 63 5.475 7.464 -13.074 1.00 0.00 C ATOM 987 O GLU A 63 5.686 6.802 -14.094 1.00 0.00 O ATOM 988 CB GLU A 63 3.193 6.732 -12.200 1.00 0.00 C ATOM 989 CG GLU A 63 2.412 5.841 -11.212 1.00 0.00 C ATOM 990 CD GLU A 63 2.805 4.347 -11.241 1.00 0.00 C ATOM 991 OE1 GLU A 63 2.361 3.592 -10.344 1.00 0.00 O ATOM 992 OE2 GLU A 63 3.554 3.911 -12.144 1.00 0.00 O ATOM 0 H GLU A 63 4.049 7.930 -10.220 1.00 0.00 H new ATOM 0 HA GLU A 63 5.115 5.835 -11.779 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.761 7.733 -12.190 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.064 6.339 -13.208 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.563 6.223 -10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.347 5.927 -11.430 1.00 0.00 H new ATOM 999 N LYS A 64 5.954 8.708 -12.925 1.00 0.00 N ATOM 1000 CA LYS A 64 6.883 9.370 -13.854 1.00 0.00 C ATOM 1001 C LYS A 64 8.353 9.047 -13.552 1.00 0.00 C ATOM 1002 O LYS A 64 9.077 8.612 -14.451 1.00 0.00 O ATOM 1003 CB LYS A 64 6.602 10.885 -13.834 1.00 0.00 C ATOM 1004 CG LYS A 64 7.398 11.645 -14.910 1.00 0.00 C ATOM 1005 CD LYS A 64 7.129 13.158 -14.902 1.00 0.00 C ATOM 1006 CE LYS A 64 5.684 13.501 -15.293 1.00 0.00 C ATOM 1007 NZ LYS A 64 5.464 14.970 -15.345 1.00 0.00 N ATOM 0 H LYS A 64 5.699 9.298 -12.133 1.00 0.00 H new ATOM 0 HA LYS A 64 6.711 8.984 -14.859 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.536 11.056 -13.986 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.852 11.285 -12.851 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.463 11.470 -14.757 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.147 11.242 -15.891 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.337 13.555 -13.909 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.815 13.649 -15.592 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.456 13.064 -16.265 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.997 13.055 -14.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.478 15.164 -15.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.657 15.383 -14.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.103 15.392 -16.049 1.00 0.00 H new ATOM 1021 N ASN A 65 8.809 9.240 -12.310 1.00 0.00 N ATOM 1022 CA ASN A 65 10.239 9.187 -11.965 1.00 0.00 C ATOM 1023 C ASN A 65 10.772 7.775 -11.637 1.00 0.00 C ATOM 1024 O ASN A 65 11.986 7.568 -11.640 1.00 0.00 O ATOM 1025 CB ASN A 65 10.577 10.253 -10.899 1.00 0.00 C ATOM 1026 CG ASN A 65 10.168 9.921 -9.472 1.00 0.00 C ATOM 1027 OD1 ASN A 65 9.959 8.779 -9.103 1.00 0.00 O ATOM 1028 ND2 ASN A 65 10.071 10.908 -8.611 1.00 0.00 N ATOM 0 H ASN A 65 8.201 9.437 -11.515 1.00 0.00 H new ATOM 0 HA ASN A 65 10.791 9.442 -12.870 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.653 10.427 -10.916 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.098 11.189 -11.185 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.822 10.716 -7.641 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.245 11.867 -8.913 1.00 0.00 H new ATOM 1035 N ARG A 66 9.893 6.778 -11.443 1.00 0.00 N ATOM 1036 CA ARG A 66 10.253 5.355 -11.249 1.00 0.00 C ATOM 1037 C ARG A 66 11.132 4.770 -12.361 1.00 0.00 C ATOM 1038 O ARG A 66 11.864 3.811 -12.128 1.00 0.00 O ATOM 1039 CB ARG A 66 8.973 4.519 -11.086 1.00 0.00 C ATOM 1040 CG ARG A 66 8.059 4.559 -12.328 1.00 0.00 C ATOM 1041 CD ARG A 66 6.791 3.723 -12.149 1.00 0.00 C ATOM 1042 NE ARG A 66 7.087 2.307 -11.894 1.00 0.00 N ATOM 1043 CZ ARG A 66 6.203 1.375 -11.612 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.926 1.583 -11.643 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.592 0.182 -11.284 1.00 0.00 N ATOM 0 H ARG A 66 8.886 6.939 -11.415 1.00 0.00 H new ATOM 0 HA ARG A 66 10.859 5.312 -10.344 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.246 3.485 -10.877 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.417 4.882 -10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.782 5.592 -12.539 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.612 4.194 -13.194 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.208 4.125 -11.320 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.174 3.807 -13.043 1.00 0.00 H new ATOM 0 HE ARG A 66 8.065 2.021 -11.940 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.565 2.503 -11.895 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.280 0.827 -11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.587 -0.037 -11.244 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.902 -0.537 -11.066 1.00 0.00 H new ATOM 1059 N ASN A 67 11.091 5.363 -13.555 1.00 0.00 N ATOM 1060 CA ASN A 67 11.932 5.008 -14.702 1.00 0.00 C ATOM 1061 C ASN A 67 13.436 5.285 -14.469 1.00 0.00 C ATOM 1062 O ASN A 67 14.278 4.714 -15.162 1.00 0.00 O ATOM 1063 CB ASN A 67 11.401 5.769 -15.932 1.00 0.00 C ATOM 1064 CG ASN A 67 9.978 5.366 -16.290 1.00 0.00 C ATOM 1065 OD1 ASN A 67 9.726 4.274 -16.780 1.00 0.00 O ATOM 1066 ND2 ASN A 67 9.001 6.211 -16.045 1.00 0.00 N ATOM 0 H ASN A 67 10.450 6.130 -13.758 1.00 0.00 H new ATOM 0 HA ASN A 67 11.869 3.931 -14.861 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.434 6.841 -15.736 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.055 5.580 -16.783 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.038 5.955 -16.263 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.206 7.123 -15.636 1.00 0.00 H new ATOM 1073 N GLU A 68 13.789 6.125 -13.490 1.00 0.00 N ATOM 1074 CA GLU A 68 15.177 6.381 -13.071 1.00 0.00 C ATOM 1075 C GLU A 68 15.747 5.297 -12.130 1.00 0.00 C ATOM 1076 O GLU A 68 16.960 5.261 -11.903 1.00 0.00 O ATOM 1077 CB GLU A 68 15.274 7.763 -12.397 1.00 0.00 C ATOM 1078 CG GLU A 68 14.783 8.935 -13.266 1.00 0.00 C ATOM 1079 CD GLU A 68 15.456 9.006 -14.654 1.00 0.00 C ATOM 1080 OE1 GLU A 68 16.692 8.813 -14.756 1.00 0.00 O ATOM 1081 OE2 GLU A 68 14.753 9.292 -15.654 1.00 0.00 O ATOM 0 H GLU A 68 13.105 6.659 -12.953 1.00 0.00 H new ATOM 0 HA GLU A 68 15.784 6.356 -13.976 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.694 7.744 -11.474 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.312 7.945 -12.118 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.705 8.849 -13.399 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.965 9.870 -12.736 1.00 0.00 H new ATOM 1088 N ILE A 69 14.908 4.406 -11.582 1.00 0.00 N ATOM 1089 CA ILE A 69 15.343 3.272 -10.752 1.00 0.00 C ATOM 1090 C ILE A 69 16.043 2.225 -11.629 1.00 0.00 C ATOM 1091 O ILE A 69 15.533 1.844 -12.688 1.00 0.00 O ATOM 1092 CB ILE A 69 14.154 2.656 -9.976 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.521 3.706 -9.030 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.599 1.415 -9.180 1.00 0.00 C ATOM 1095 CD1 ILE A 69 12.245 3.234 -8.325 1.00 0.00 C ATOM 0 H ILE A 69 13.896 4.453 -11.704 1.00 0.00 H new ATOM 0 HA ILE A 69 16.054 3.634 -10.010 1.00 0.00 H new ATOM 0 HB ILE A 69 13.403 2.343 -10.701 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.256 3.987 -8.276 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.294 4.604 -9.604 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.745 1.001 -8.644 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.995 0.666 -9.866 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.373 1.699 -8.466 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.869 4.030 -7.683 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.490 2.981 -9.070 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.467 2.355 -7.721 1.00 0.00 H new ATOM 1107 N LYS A 70 17.192 1.728 -11.160 1.00 0.00 N ATOM 1108 CA LYS A 70 17.994 0.674 -11.804 1.00 0.00 C ATOM 1109 C LYS A 70 18.187 -0.544 -10.895 1.00 0.00 C ATOM 1110 O LYS A 70 17.955 -0.477 -9.687 1.00 0.00 O ATOM 1111 CB LYS A 70 19.341 1.269 -12.258 1.00 0.00 C ATOM 1112 CG LYS A 70 19.163 2.349 -13.341 1.00 0.00 C ATOM 1113 CD LYS A 70 20.495 2.952 -13.808 1.00 0.00 C ATOM 1114 CE LYS A 70 21.170 3.781 -12.707 1.00 0.00 C ATOM 1115 NZ LYS A 70 22.422 4.418 -13.195 1.00 0.00 N ATOM 0 H LYS A 70 17.607 2.059 -10.289 1.00 0.00 H new ATOM 0 HA LYS A 70 17.453 0.310 -12.678 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.854 1.700 -11.398 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.977 0.472 -12.643 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.646 1.916 -14.197 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.526 3.144 -12.953 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.165 2.151 -14.121 1.00 0.00 H new ATOM 0 HD3 LYS A 70 20.321 3.582 -14.681 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.482 4.550 -12.356 1.00 0.00 H new ATOM 0 HE3 LYS A 70 21.395 3.141 -11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 22.853 4.971 -12.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 23.087 3.682 -13.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.203 5.048 -13.993 1.00 0.00 H new ATOM 1129 N ASN A 71 18.627 -1.662 -11.468 1.00 0.00 N ATOM 1130 CA ASN A 71 18.900 -2.889 -10.717 1.00 0.00 C ATOM 1131 C ASN A 71 19.995 -2.654 -9.652 1.00 0.00 C ATOM 1132 O ASN A 71 21.103 -2.219 -9.973 1.00 0.00 O ATOM 1133 CB ASN A 71 19.268 -3.999 -11.715 1.00 0.00 C ATOM 1134 CG ASN A 71 19.217 -5.368 -11.068 1.00 0.00 C ATOM 1135 OD1 ASN A 71 18.151 -5.871 -10.745 1.00 0.00 O ATOM 1136 ND2 ASN A 71 20.343 -6.002 -10.840 1.00 0.00 N ATOM 0 H ASN A 71 18.805 -1.745 -12.469 1.00 0.00 H new ATOM 0 HA ASN A 71 18.013 -3.201 -10.166 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.582 -3.970 -12.562 1.00 0.00 H new ATOM 0 HB3 ASN A 71 20.268 -3.819 -12.109 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.331 -6.918 -10.392 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.231 -5.579 -11.111 1.00 0.00 H new ATOM 1143 N GLY A 72 19.676 -2.934 -8.386 1.00 0.00 N ATOM 1144 CA GLY A 72 20.529 -2.673 -7.219 1.00 0.00 C ATOM 1145 C GLY A 72 20.336 -1.300 -6.552 1.00 0.00 C ATOM 1146 O GLY A 72 21.149 -0.930 -5.702 1.00 0.00 O ATOM 0 H GLY A 72 18.786 -3.364 -8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.344 -3.448 -6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.571 -2.766 -7.524 1.00 0.00 H new ATOM 1150 N THR A 73 19.292 -0.531 -6.901 1.00 0.00 N ATOM 1151 CA THR A 73 18.999 0.770 -6.257 1.00 0.00 C ATOM 1152 C THR A 73 18.608 0.579 -4.788 1.00 0.00 C ATOM 1153 O THR A 73 17.717 -0.219 -4.476 1.00 0.00 O ATOM 1154 CB THR A 73 17.882 1.543 -6.985 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.266 1.813 -8.312 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.553 2.905 -6.365 1.00 0.00 C ATOM 0 H THR A 73 18.628 -0.787 -7.632 1.00 0.00 H new ATOM 0 HA THR A 73 19.915 1.358 -6.317 1.00 0.00 H new ATOM 0 HB THR A 73 17.008 0.896 -6.912 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.401 0.969 -8.792 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.758 3.383 -6.937 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.226 2.766 -5.335 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.441 3.536 -6.382 1.00 0.00 H new ATOM 1164 N ILE A 74 19.240 1.328 -3.878 1.00 0.00 N ATOM 1165 CA ILE A 74 18.834 1.385 -2.468 1.00 0.00 C ATOM 1166 C ILE A 74 17.719 2.434 -2.307 1.00 0.00 C ATOM 1167 O ILE A 74 17.874 3.597 -2.691 1.00 0.00 O ATOM 1168 CB ILE A 74 20.024 1.642 -1.512 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.280 0.813 -1.881 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.599 1.321 -0.061 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.518 1.174 -1.054 1.00 0.00 C ATOM 0 H ILE A 74 20.047 1.912 -4.097 1.00 0.00 H new ATOM 0 HA ILE A 74 18.446 0.408 -2.180 1.00 0.00 H new ATOM 0 HB ILE A 74 20.294 2.694 -1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 74 21.059 -0.246 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.504 0.959 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.437 1.502 0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.762 1.959 0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.298 0.276 0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.358 0.554 -1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.765 2.224 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.313 1.001 0.002 1.00 0.00 H new ATOM 1183 N LEU A 75 16.593 2.016 -1.738 1.00 0.00 N ATOM 1184 CA LEU A 75 15.392 2.814 -1.486 1.00 0.00 C ATOM 1185 C LEU A 75 15.085 2.875 0.022 1.00 0.00 C ATOM 1186 O LEU A 75 15.794 2.293 0.839 1.00 0.00 O ATOM 1187 CB LEU A 75 14.216 2.211 -2.285 1.00 0.00 C ATOM 1188 CG LEU A 75 14.369 2.212 -3.819 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.129 1.570 -4.439 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.497 3.619 -4.405 1.00 0.00 C ATOM 0 H LEU A 75 16.485 1.053 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 75 15.553 3.840 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.068 1.183 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.310 2.761 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 75 15.282 1.661 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.226 1.565 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.031 0.546 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.244 2.140 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.602 3.554 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.606 4.197 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.375 4.110 -3.984 1.00 0.00 H new ATOM 1202 N ARG A 76 14.006 3.563 0.394 1.00 0.00 N ATOM 1203 CA ARG A 76 13.490 3.753 1.753 1.00 0.00 C ATOM 1204 C ARG A 76 11.962 3.814 1.731 1.00 0.00 C ATOM 1205 O ARG A 76 11.384 4.494 0.881 1.00 0.00 O ATOM 1206 CB ARG A 76 14.121 5.039 2.320 1.00 0.00 C ATOM 1207 CG ARG A 76 13.563 5.436 3.695 1.00 0.00 C ATOM 1208 CD ARG A 76 14.401 6.522 4.383 1.00 0.00 C ATOM 1209 NE ARG A 76 14.490 7.764 3.584 1.00 0.00 N ATOM 1210 CZ ARG A 76 15.577 8.300 3.055 1.00 0.00 C ATOM 1211 NH1 ARG A 76 16.753 7.749 3.143 1.00 0.00 N ATOM 1212 NH2 ARG A 76 15.502 9.425 2.418 1.00 0.00 N ATOM 0 H ARG A 76 13.425 4.038 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 76 13.757 2.916 2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.199 4.902 2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.955 5.857 1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.539 5.792 3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.523 4.554 4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.965 6.751 5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.405 6.139 4.566 1.00 0.00 H new ATOM 0 HE ARG A 76 13.615 8.263 3.423 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.866 6.864 3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.562 8.202 2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.604 9.899 2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.341 9.837 2.010 1.00 0.00 H new ATOM 1226 N LEU A 77 11.308 3.120 2.661 1.00 0.00 N ATOM 1227 CA LEU A 77 9.871 3.258 2.915 1.00 0.00 C ATOM 1228 C LEU A 77 9.621 4.438 3.866 1.00 0.00 C ATOM 1229 O LEU A 77 10.351 4.628 4.839 1.00 0.00 O ATOM 1230 CB LEU A 77 9.322 1.934 3.469 1.00 0.00 C ATOM 1231 CG LEU A 77 7.826 1.936 3.811 1.00 0.00 C ATOM 1232 CD1 LEU A 77 6.979 2.018 2.536 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.446 0.655 4.541 1.00 0.00 C ATOM 0 H LEU A 77 11.764 2.438 3.267 1.00 0.00 H new ATOM 0 HA LEU A 77 9.341 3.474 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.510 1.148 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.883 1.675 4.367 1.00 0.00 H new ATOM 0 HG LEU A 77 7.636 2.803 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.922 2.018 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.218 2.935 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.194 1.159 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.382 0.672 4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.663 -0.204 3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.020 0.578 5.464 1.00 0.00 H new ATOM 1245 N THR A 78 8.590 5.234 3.589 1.00 0.00 N ATOM 1246 CA THR A 78 8.243 6.432 4.369 1.00 0.00 C ATOM 1247 C THR A 78 6.781 6.829 4.117 1.00 0.00 C ATOM 1248 O THR A 78 6.202 6.467 3.088 1.00 0.00 O ATOM 1249 CB THR A 78 9.237 7.566 4.034 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.902 8.769 4.690 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.359 7.849 2.534 1.00 0.00 C ATOM 0 H THR A 78 7.959 5.067 2.805 1.00 0.00 H new ATOM 0 HA THR A 78 8.328 6.223 5.435 1.00 0.00 H new ATOM 0 HB THR A 78 10.200 7.201 4.392 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.554 9.462 4.455 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.073 8.656 2.373 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.704 6.951 2.021 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.386 8.141 2.139 1.00 0.00 H new ATOM 1259 N THR A 79 6.138 7.538 5.049 1.00 0.00 N ATOM 1260 CA THR A 79 4.811 8.129 4.802 1.00 0.00 C ATOM 1261 C THR A 79 4.900 9.298 3.809 1.00 0.00 C ATOM 1262 O THR A 79 5.917 9.990 3.709 1.00 0.00 O ATOM 1263 CB THR A 79 4.091 8.538 6.096 1.00 0.00 C ATOM 1264 OG1 THR A 79 4.934 9.321 6.916 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.619 7.317 6.893 1.00 0.00 C ATOM 0 H THR A 79 6.510 7.719 5.981 1.00 0.00 H new ATOM 0 HA THR A 79 4.200 7.348 4.349 1.00 0.00 H new ATOM 0 HB THR A 79 3.220 9.123 5.799 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.455 9.571 7.733 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.115 7.648 7.801 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.928 6.732 6.287 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.479 6.702 7.159 1.00 0.00 H new ATOM 1273 N SER A 80 3.837 9.494 3.029 1.00 0.00 N ATOM 1274 CA SER A 80 3.784 10.444 1.904 1.00 0.00 C ATOM 1275 C SER A 80 3.983 11.920 2.320 1.00 0.00 C ATOM 1276 O SER A 80 3.747 12.274 3.484 1.00 0.00 O ATOM 1277 CB SER A 80 2.462 10.246 1.144 1.00 0.00 C ATOM 1278 OG SER A 80 1.423 11.046 1.684 1.00 0.00 O ATOM 0 H SER A 80 2.963 8.986 3.161 1.00 0.00 H new ATOM 0 HA SER A 80 4.628 10.224 1.250 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.605 10.496 0.093 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.172 9.196 1.185 1.00 0.00 H new ATOM 0 HG SER A 80 0.598 10.897 1.177 1.00 0.00 H new