USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 625 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 16 MET CE :methyl 162:sc= -0.0605 (180deg=-0.502) USER MOD Set 1.2: A 24 GLN : amide:sc= -0.98 K(o=-1,f=-0.13) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 142:sc= 0.277 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -132:sc= 1.22 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 25 THR OG1 : rot 69:sc= 0.942 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -0.0351 (180deg=-0.242) USER MOD Single : A 32 LYS NZ :NH3+ -107:sc= -1.17 (180deg=-1.66!) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -0.0123 (180deg=-0.214) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 71:sc= 1.25 USER MOD Single : A 40 ASN : amide:sc= 0.554 K(o=0.55,f=-6.2!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 103:sc= 2.27 USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= -0.0064 (180deg=-0.129) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= 1.09 (180deg=0.757) USER MOD Single : A 49 SER OG : rot 26:sc= 0.37 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 2:sc= 0.455 USER MOD Single : A 55 MET CE :methyl -150:sc= -0.875 (180deg=-3.76!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= -0.0487 (180deg=-0.332) USER MOD Single : A 66 MET CE :methyl -167:sc= -0.48 (180deg=-0.697) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 172:sc= 1.17 (180deg=0.882) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 170:sc= -1.01 (180deg=-1.17) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -35:sc= 0.485 USER MOD Single : A 81 TYR OH : rot 180:sc= 0.478 USER MOD ----------------------------------------------------------------- ATOM 104 N PRO A 9 1.346 18.964 5.750 1.00 12.33 N ATOM 105 CA PRO A 9 1.441 18.963 4.297 1.00 42.42 C ATOM 106 C PRO A 9 0.757 17.737 3.720 1.00 23.42 C ATOM 107 O PRO A 9 0.956 16.617 4.197 1.00 63.54 O ATOM 108 CB PRO A 9 2.952 18.907 4.023 1.00 43.02 C ATOM 109 CG PRO A 9 3.592 19.354 5.291 1.00 24.45 C ATOM 110 CD PRO A 9 2.672 18.920 6.390 1.00 3.22 C ATOM 0 HA PRO A 9 0.960 19.831 3.845 1.00 42.42 H new ATOM 0 HB2 PRO A 9 3.267 17.898 3.756 1.00 43.02 H new ATOM 0 HB3 PRO A 9 3.227 19.557 3.192 1.00 43.02 H new ATOM 0 HG2 PRO A 9 4.579 18.907 5.409 1.00 24.45 H new ATOM 0 HG3 PRO A 9 3.728 20.435 5.300 1.00 24.45 H new ATOM 0 HD2 PRO A 9 2.914 17.919 6.747 1.00 3.22 H new ATOM 0 HD3 PRO A 9 2.727 19.588 7.250 1.00 3.22 H new ATOM 118 N LYS A 10 -0.043 17.942 2.702 1.00 2.41 N ATOM 119 CA LYS A 10 -0.774 16.853 2.088 1.00 52.21 C ATOM 120 C LYS A 10 -0.017 16.323 0.883 1.00 40.12 C ATOM 121 O LYS A 10 -0.578 15.627 0.040 1.00 23.11 O ATOM 122 CB LYS A 10 -2.178 17.312 1.688 1.00 5.12 C ATOM 123 CG LYS A 10 -3.017 17.821 2.857 1.00 73.03 C ATOM 124 CD LYS A 10 -3.208 16.746 3.920 1.00 51.40 C ATOM 125 CE LYS A 10 -4.005 17.267 5.105 1.00 41.44 C ATOM 126 NZ LYS A 10 -4.188 16.228 6.153 1.00 44.40 N ATOM 0 H LYS A 10 -0.207 18.855 2.278 1.00 2.41 H new ATOM 0 HA LYS A 10 -0.873 16.045 2.813 1.00 52.21 H new ATOM 0 HB2 LYS A 10 -2.093 18.103 0.943 1.00 5.12 H new ATOM 0 HB3 LYS A 10 -2.700 16.481 1.213 1.00 5.12 H new ATOM 0 HG2 LYS A 10 -2.533 18.691 3.301 1.00 73.03 H new ATOM 0 HG3 LYS A 10 -3.990 18.149 2.492 1.00 73.03 H new ATOM 0 HD2 LYS A 10 -3.721 15.889 3.484 1.00 51.40 H new ATOM 0 HD3 LYS A 10 -2.235 16.394 4.262 1.00 51.40 H new ATOM 0 HE2 LYS A 10 -3.495 18.129 5.534 1.00 41.44 H new ATOM 0 HE3 LYS A 10 -4.980 17.612 4.762 1.00 41.44 H new ATOM 0 HZ1 LYS A 10 -4.736 16.624 6.943 1.00 44.40 H new ATOM 0 HZ2 LYS A 10 -4.698 15.415 5.751 1.00 44.40 H new ATOM 0 HZ3 LYS A 10 -3.258 15.916 6.499 1.00 44.40 H new ATOM 140 N LYS A 11 1.268 16.657 0.824 1.00 4.04 N ATOM 141 CA LYS A 11 2.143 16.224 -0.253 1.00 32.01 C ATOM 142 C LYS A 11 2.195 14.702 -0.322 1.00 11.32 C ATOM 143 O LYS A 11 2.573 14.045 0.658 1.00 51.12 O ATOM 144 CB LYS A 11 3.557 16.788 -0.040 1.00 30.35 C ATOM 145 CG LYS A 11 4.592 16.281 -1.038 1.00 53.24 C ATOM 146 CD LYS A 11 5.969 16.863 -0.755 1.00 54.32 C ATOM 147 CE LYS A 11 7.024 16.277 -1.684 1.00 63.24 C ATOM 148 NZ LYS A 11 8.359 16.897 -1.475 1.00 51.40 N ATOM 0 H LYS A 11 1.730 17.237 1.524 1.00 4.04 H new ATOM 0 HA LYS A 11 1.745 16.601 -1.195 1.00 32.01 H new ATOM 0 HB2 LYS A 11 3.514 17.876 -0.100 1.00 30.35 H new ATOM 0 HB3 LYS A 11 3.888 16.537 0.968 1.00 30.35 H new ATOM 0 HG2 LYS A 11 4.639 15.193 -0.994 1.00 53.24 H new ATOM 0 HG3 LYS A 11 4.284 16.546 -2.050 1.00 53.24 H new ATOM 0 HD2 LYS A 11 5.939 17.946 -0.874 1.00 54.32 H new ATOM 0 HD3 LYS A 11 6.244 16.664 0.281 1.00 54.32 H new ATOM 0 HE2 LYS A 11 7.094 15.202 -1.520 1.00 63.24 H new ATOM 0 HE3 LYS A 11 6.716 16.422 -2.719 1.00 63.24 H new ATOM 0 HZ1 LYS A 11 9.047 16.469 -2.127 1.00 51.40 H new ATOM 0 HZ2 LYS A 11 8.299 17.919 -1.657 1.00 51.40 H new ATOM 0 HZ3 LYS A 11 8.666 16.737 -0.494 1.00 51.40 H new ATOM 162 N PRO A 12 1.789 14.120 -1.463 1.00 32.10 N ATOM 163 CA PRO A 12 1.825 12.674 -1.660 1.00 13.33 C ATOM 164 C PRO A 12 3.234 12.130 -1.464 1.00 14.13 C ATOM 165 O PRO A 12 4.168 12.517 -2.168 1.00 23.33 O ATOM 166 CB PRO A 12 1.379 12.493 -3.115 1.00 3.33 C ATOM 167 CG PRO A 12 0.607 13.726 -3.430 1.00 51.12 C ATOM 168 CD PRO A 12 1.256 14.825 -2.644 1.00 51.54 C ATOM 0 HA PRO A 12 1.194 12.140 -0.950 1.00 13.33 H new ATOM 0 HB2 PRO A 12 2.235 12.381 -3.780 1.00 3.33 H new ATOM 0 HB3 PRO A 12 0.765 11.600 -3.233 1.00 3.33 H new ATOM 0 HG2 PRO A 12 0.633 13.941 -4.498 1.00 51.12 H new ATOM 0 HG3 PRO A 12 -0.441 13.613 -3.153 1.00 51.12 H new ATOM 0 HD2 PRO A 12 2.047 15.315 -3.212 1.00 51.54 H new ATOM 0 HD3 PRO A 12 0.540 15.597 -2.364 1.00 51.54 H new ATOM 176 N ARG A 13 3.383 11.248 -0.500 1.00 71.33 N ATOM 177 CA ARG A 13 4.680 10.680 -0.186 1.00 43.55 C ATOM 178 C ARG A 13 4.980 9.493 -1.089 1.00 12.23 C ATOM 179 O ARG A 13 6.141 9.129 -1.293 1.00 2.31 O ATOM 180 CB ARG A 13 4.736 10.274 1.293 1.00 52.24 C ATOM 181 CG ARG A 13 3.714 9.219 1.681 1.00 13.43 C ATOM 182 CD ARG A 13 3.226 9.407 3.109 1.00 21.35 C ATOM 183 NE ARG A 13 4.310 9.324 4.090 1.00 45.52 N ATOM 184 CZ ARG A 13 4.466 8.315 4.951 1.00 13.31 C ATOM 185 NH1 ARG A 13 3.656 7.260 4.899 1.00 74.44 N ATOM 186 NH2 ARG A 13 5.440 8.351 5.851 1.00 74.40 N ATOM 0 H ARG A 13 2.619 10.906 0.084 1.00 71.33 H new ATOM 0 HA ARG A 13 5.445 11.436 -0.364 1.00 43.55 H new ATOM 0 HB2 ARG A 13 5.734 9.899 1.519 1.00 52.24 H new ATOM 0 HB3 ARG A 13 4.581 11.160 1.909 1.00 52.24 H new ATOM 0 HG2 ARG A 13 2.866 9.265 0.998 1.00 13.43 H new ATOM 0 HG3 ARG A 13 4.156 8.228 1.575 1.00 13.43 H new ATOM 0 HD2 ARG A 13 2.735 10.376 3.197 1.00 21.35 H new ATOM 0 HD3 ARG A 13 2.477 8.649 3.336 1.00 21.35 H new ATOM 0 HE ARG A 13 4.989 10.085 4.117 1.00 45.52 H new ATOM 0 HH11 ARG A 13 2.914 7.221 4.200 1.00 74.44 H new ATOM 0 HH12 ARG A 13 3.777 6.491 5.558 1.00 74.44 H new ATOM 0 HH21 ARG A 13 6.072 9.151 5.887 1.00 74.40 H new ATOM 0 HH22 ARG A 13 5.557 7.579 6.507 1.00 74.40 H new ATOM 200 N GLY A 14 3.932 8.887 -1.616 1.00 43.53 N ATOM 201 CA GLY A 14 4.096 7.770 -2.503 1.00 21.30 C ATOM 202 C GLY A 14 2.811 7.009 -2.689 1.00 41.15 C ATOM 203 O GLY A 14 1.762 7.417 -2.182 1.00 63.33 O ATOM 0 H GLY A 14 2.964 9.155 -1.441 1.00 43.53 H new ATOM 0 HA2 GLY A 14 4.452 8.124 -3.471 1.00 21.30 H new ATOM 0 HA3 GLY A 14 4.860 7.101 -2.107 1.00 21.30 H new ATOM 207 N LYS A 15 2.882 5.916 -3.416 1.00 63.00 N ATOM 208 CA LYS A 15 1.723 5.078 -3.639 1.00 53.11 C ATOM 209 C LYS A 15 1.665 3.954 -2.599 1.00 43.12 C ATOM 210 O LYS A 15 1.365 4.206 -1.431 1.00 42.44 O ATOM 211 CB LYS A 15 1.668 4.556 -5.099 1.00 62.12 C ATOM 212 CG LYS A 15 3.026 4.401 -5.812 1.00 0.43 C ATOM 213 CD LYS A 15 3.843 3.253 -5.261 1.00 24.43 C ATOM 214 CE LYS A 15 5.137 3.055 -6.026 1.00 2.14 C ATOM 215 NZ LYS A 15 5.941 1.945 -5.457 1.00 14.03 N ATOM 0 H LYS A 15 3.735 5.585 -3.866 1.00 63.00 H new ATOM 0 HA LYS A 15 0.826 5.683 -3.505 1.00 53.11 H new ATOM 0 HB2 LYS A 15 1.167 3.588 -5.099 1.00 62.12 H new ATOM 0 HB3 LYS A 15 1.048 5.236 -5.684 1.00 62.12 H new ATOM 0 HG2 LYS A 15 2.857 4.244 -6.877 1.00 0.43 H new ATOM 0 HG3 LYS A 15 3.593 5.327 -5.712 1.00 0.43 H new ATOM 0 HD2 LYS A 15 4.068 3.440 -4.211 1.00 24.43 H new ATOM 0 HD3 LYS A 15 3.254 2.337 -5.302 1.00 24.43 H new ATOM 0 HE2 LYS A 15 4.914 2.845 -7.072 1.00 2.14 H new ATOM 0 HE3 LYS A 15 5.719 3.976 -6.003 1.00 2.14 H new ATOM 0 HZ1 LYS A 15 6.396 1.415 -6.228 1.00 14.03 H new ATOM 0 HZ2 LYS A 15 6.671 2.333 -4.826 1.00 14.03 H new ATOM 0 HZ3 LYS A 15 5.321 1.308 -4.918 1.00 14.03 H new ATOM 229 N MET A 16 1.968 2.723 -3.000 1.00 31.33 N ATOM 230 CA MET A 16 2.035 1.598 -2.093 1.00 22.03 C ATOM 231 C MET A 16 3.332 0.856 -2.349 1.00 61.11 C ATOM 232 O MET A 16 3.890 0.936 -3.444 1.00 13.44 O ATOM 233 CB MET A 16 0.849 0.648 -2.310 1.00 11.34 C ATOM 234 CG MET A 16 -0.513 1.273 -2.061 1.00 11.31 C ATOM 235 SD MET A 16 -1.874 0.148 -2.441 1.00 43.41 S ATOM 236 CE MET A 16 -1.577 -1.165 -1.258 1.00 75.54 C ATOM 0 H MET A 16 2.174 2.484 -3.970 1.00 31.33 H new ATOM 0 HA MET A 16 1.995 1.960 -1.066 1.00 22.03 H new ATOM 0 HB2 MET A 16 0.882 0.275 -3.334 1.00 11.34 H new ATOM 0 HB3 MET A 16 0.965 -0.214 -1.652 1.00 11.34 H new ATOM 0 HG2 MET A 16 -0.582 1.581 -1.018 1.00 11.31 H new ATOM 0 HG3 MET A 16 -0.611 2.174 -2.667 1.00 11.31 H new ATOM 0 HE1 MET A 16 -2.482 -1.762 -1.142 1.00 75.54 H new ATOM 0 HE2 MET A 16 -0.767 -1.800 -1.615 1.00 75.54 H new ATOM 0 HE3 MET A 16 -1.302 -0.733 -0.296 1.00 75.54 H new ATOM 246 N SER A 17 3.820 0.139 -1.371 1.00 70.34 N ATOM 247 CA SER A 17 5.052 -0.582 -1.545 1.00 64.01 C ATOM 248 C SER A 17 4.769 -1.996 -2.034 1.00 52.33 C ATOM 249 O SER A 17 3.619 -2.446 -2.020 1.00 11.43 O ATOM 250 CB SER A 17 5.850 -0.586 -0.249 1.00 14.12 C ATOM 251 OG SER A 17 6.141 0.748 0.156 1.00 32.31 O ATOM 0 H SER A 17 3.387 0.039 -0.453 1.00 70.34 H new ATOM 0 HA SER A 17 5.655 -0.082 -2.303 1.00 64.01 H new ATOM 0 HB2 SER A 17 5.286 -1.096 0.532 1.00 14.12 H new ATOM 0 HB3 SER A 17 6.777 -1.142 -0.387 1.00 14.12 H new ATOM 0 HG SER A 17 6.653 0.732 0.991 1.00 32.31 H new ATOM 257 N SER A 18 5.808 -2.687 -2.449 1.00 30.41 N ATOM 258 CA SER A 18 5.690 -4.024 -3.001 1.00 51.04 C ATOM 259 C SER A 18 5.052 -4.997 -2.009 1.00 34.01 C ATOM 260 O SER A 18 4.165 -5.779 -2.375 1.00 73.12 O ATOM 261 CB SER A 18 7.060 -4.503 -3.435 1.00 51.34 C ATOM 262 OG SER A 18 7.690 -3.515 -4.237 1.00 72.32 O ATOM 0 H SER A 18 6.766 -2.337 -2.414 1.00 30.41 H new ATOM 0 HA SER A 18 5.028 -3.988 -3.866 1.00 51.04 H new ATOM 0 HB2 SER A 18 7.673 -4.717 -2.560 1.00 51.34 H new ATOM 0 HB3 SER A 18 6.968 -5.433 -3.995 1.00 51.34 H new ATOM 0 HG SER A 18 8.050 -3.932 -5.047 1.00 72.32 H new ATOM 268 N TYR A 19 5.495 -4.944 -0.757 1.00 44.42 N ATOM 269 CA TYR A 19 4.945 -5.788 0.292 1.00 25.40 C ATOM 270 C TYR A 19 3.456 -5.517 0.486 1.00 64.35 C ATOM 271 O TYR A 19 2.684 -6.429 0.767 1.00 25.02 O ATOM 272 CB TYR A 19 5.708 -5.567 1.607 1.00 12.52 C ATOM 273 CG TYR A 19 5.146 -6.323 2.795 1.00 74.21 C ATOM 274 CD1 TYR A 19 5.297 -7.699 2.909 1.00 12.43 C ATOM 275 CD2 TYR A 19 4.467 -5.656 3.807 1.00 63.41 C ATOM 276 CE1 TYR A 19 4.786 -8.386 3.994 1.00 5.52 C ATOM 277 CE2 TYR A 19 3.955 -6.335 4.895 1.00 53.43 C ATOM 278 CZ TYR A 19 4.115 -7.698 4.985 1.00 43.22 C ATOM 279 OH TYR A 19 3.603 -8.378 6.072 1.00 20.20 O ATOM 0 H TYR A 19 6.239 -4.320 -0.445 1.00 44.42 H new ATOM 0 HA TYR A 19 5.062 -6.829 -0.010 1.00 25.40 H new ATOM 0 HB2 TYR A 19 6.747 -5.862 1.463 1.00 12.52 H new ATOM 0 HB3 TYR A 19 5.708 -4.502 1.838 1.00 12.52 H new ATOM 0 HD1 TYR A 19 5.823 -8.241 2.137 1.00 12.43 H new ATOM 0 HD2 TYR A 19 4.337 -4.586 3.742 1.00 63.41 H new ATOM 0 HE1 TYR A 19 4.911 -9.456 4.066 1.00 5.52 H new ATOM 0 HE2 TYR A 19 3.431 -5.798 5.672 1.00 53.43 H new ATOM 0 HH TYR A 19 3.162 -7.745 6.676 1.00 20.20 H new ATOM 289 N ALA A 20 3.053 -4.262 0.307 1.00 23.11 N ATOM 290 CA ALA A 20 1.658 -3.879 0.468 1.00 4.31 C ATOM 291 C ALA A 20 0.789 -4.553 -0.586 1.00 13.23 C ATOM 292 O ALA A 20 -0.278 -5.082 -0.272 1.00 4.03 O ATOM 293 CB ALA A 20 1.507 -2.372 0.403 1.00 43.51 C ATOM 0 H ALA A 20 3.674 -3.495 0.050 1.00 23.11 H new ATOM 0 HA ALA A 20 1.323 -4.214 1.450 1.00 4.31 H new ATOM 0 HB1 ALA A 20 0.457 -2.106 0.525 1.00 43.51 H new ATOM 0 HB2 ALA A 20 2.093 -1.913 1.199 1.00 43.51 H new ATOM 0 HB3 ALA A 20 1.862 -2.012 -0.563 1.00 43.51 H new ATOM 299 N PHE A 21 1.246 -4.525 -1.841 1.00 73.11 N ATOM 300 CA PHE A 21 0.532 -5.203 -2.925 1.00 71.42 C ATOM 301 C PHE A 21 0.426 -6.691 -2.632 1.00 32.23 C ATOM 302 O PHE A 21 -0.556 -7.343 -2.990 1.00 1.31 O ATOM 303 CB PHE A 21 1.231 -4.988 -4.273 1.00 60.33 C ATOM 304 CG PHE A 21 1.310 -3.552 -4.697 1.00 41.44 C ATOM 305 CD1 PHE A 21 0.160 -2.808 -4.891 1.00 55.14 C ATOM 306 CD2 PHE A 21 2.535 -2.949 -4.908 1.00 24.14 C ATOM 307 CE1 PHE A 21 0.232 -1.489 -5.284 1.00 23.23 C ATOM 308 CE2 PHE A 21 2.614 -1.631 -5.300 1.00 32.41 C ATOM 309 CZ PHE A 21 1.463 -0.899 -5.487 1.00 5.04 C ATOM 0 H PHE A 21 2.099 -4.045 -2.129 1.00 73.11 H new ATOM 0 HA PHE A 21 -0.468 -4.773 -2.987 1.00 71.42 H new ATOM 0 HB2 PHE A 21 2.240 -5.395 -4.216 1.00 60.33 H new ATOM 0 HB3 PHE A 21 0.702 -5.554 -5.040 1.00 60.33 H new ATOM 0 HD1 PHE A 21 -0.805 -3.266 -4.733 1.00 55.14 H new ATOM 0 HD2 PHE A 21 3.442 -3.518 -4.764 1.00 24.14 H new ATOM 0 HE1 PHE A 21 -0.673 -0.918 -5.433 1.00 23.23 H new ATOM 0 HE2 PHE A 21 3.578 -1.172 -5.461 1.00 32.41 H new ATOM 0 HZ PHE A 21 1.523 0.135 -5.792 1.00 5.04 H new ATOM 319 N PHE A 22 1.437 -7.223 -1.973 1.00 2.45 N ATOM 320 CA PHE A 22 1.442 -8.616 -1.598 1.00 10.41 C ATOM 321 C PHE A 22 0.397 -8.886 -0.521 1.00 45.53 C ATOM 322 O PHE A 22 -0.299 -9.895 -0.567 1.00 55.20 O ATOM 323 CB PHE A 22 2.826 -9.039 -1.117 1.00 42.24 C ATOM 324 CG PHE A 22 2.869 -10.442 -0.603 1.00 41.12 C ATOM 325 CD1 PHE A 22 2.765 -11.513 -1.470 1.00 75.12 C ATOM 326 CD2 PHE A 22 2.998 -10.689 0.748 1.00 60.12 C ATOM 327 CE1 PHE A 22 2.792 -12.805 -0.998 1.00 31.42 C ATOM 328 CE2 PHE A 22 3.023 -11.977 1.224 1.00 73.35 C ATOM 329 CZ PHE A 22 2.920 -13.038 0.351 1.00 34.32 C ATOM 0 H PHE A 22 2.268 -6.705 -1.687 1.00 2.45 H new ATOM 0 HA PHE A 22 1.189 -9.207 -2.478 1.00 10.41 H new ATOM 0 HB2 PHE A 22 3.535 -8.938 -1.939 1.00 42.24 H new ATOM 0 HB3 PHE A 22 3.153 -8.360 -0.329 1.00 42.24 H new ATOM 0 HD1 PHE A 22 2.661 -11.334 -2.530 1.00 75.12 H new ATOM 0 HD2 PHE A 22 3.080 -9.862 1.438 1.00 60.12 H new ATOM 0 HE1 PHE A 22 2.713 -13.634 -1.685 1.00 31.42 H new ATOM 0 HE2 PHE A 22 3.124 -12.158 2.284 1.00 73.35 H new ATOM 0 HZ PHE A 22 2.940 -14.051 0.726 1.00 34.32 H new ATOM 339 N VAL A 23 0.293 -7.975 0.441 1.00 61.34 N ATOM 340 CA VAL A 23 -0.681 -8.090 1.528 1.00 12.13 C ATOM 341 C VAL A 23 -2.111 -8.182 0.989 1.00 41.03 C ATOM 342 O VAL A 23 -2.902 -9.014 1.446 1.00 62.53 O ATOM 343 CB VAL A 23 -0.578 -6.887 2.508 1.00 63.41 C ATOM 344 CG1 VAL A 23 -1.683 -6.933 3.555 1.00 54.25 C ATOM 345 CG2 VAL A 23 0.782 -6.865 3.180 1.00 4.51 C ATOM 0 H VAL A 23 0.876 -7.140 0.492 1.00 61.34 H new ATOM 0 HA VAL A 23 -0.446 -9.008 2.066 1.00 12.13 H new ATOM 0 HB VAL A 23 -0.699 -5.972 1.928 1.00 63.41 H new ATOM 0 HG11 VAL A 23 -1.585 -6.079 4.226 1.00 54.25 H new ATOM 0 HG12 VAL A 23 -2.654 -6.896 3.061 1.00 54.25 H new ATOM 0 HG13 VAL A 23 -1.602 -7.856 4.129 1.00 54.25 H new ATOM 0 HG21 VAL A 23 0.837 -6.017 3.862 1.00 4.51 H new ATOM 0 HG22 VAL A 23 0.927 -7.790 3.738 1.00 4.51 H new ATOM 0 HG23 VAL A 23 1.561 -6.772 2.423 1.00 4.51 H new ATOM 355 N GLN A 24 -2.415 -7.365 -0.013 1.00 54.42 N ATOM 356 CA GLN A 24 -3.771 -7.339 -0.556 1.00 70.20 C ATOM 357 C GLN A 24 -4.013 -8.579 -1.419 1.00 73.52 C ATOM 358 O GLN A 24 -5.143 -9.033 -1.573 1.00 72.22 O ATOM 359 CB GLN A 24 -4.045 -6.044 -1.349 1.00 72.43 C ATOM 360 CG GLN A 24 -3.159 -5.843 -2.568 1.00 41.31 C ATOM 361 CD GLN A 24 -3.462 -4.551 -3.321 1.00 32.51 C ATOM 362 OE1 GLN A 24 -3.285 -4.472 -4.538 1.00 63.42 O ATOM 363 NE2 GLN A 24 -3.914 -3.535 -2.607 1.00 24.11 N ATOM 0 H GLN A 24 -1.758 -6.724 -0.459 1.00 54.42 H new ATOM 0 HA GLN A 24 -4.471 -7.352 0.279 1.00 70.20 H new ATOM 0 HB2 GLN A 24 -5.086 -6.045 -1.671 1.00 72.43 H new ATOM 0 HB3 GLN A 24 -3.919 -5.192 -0.681 1.00 72.43 H new ATOM 0 HG2 GLN A 24 -2.115 -5.837 -2.254 1.00 41.31 H new ATOM 0 HG3 GLN A 24 -3.284 -6.689 -3.244 1.00 41.31 H new ATOM 0 HE21 GLN A 24 -4.048 -3.638 -1.601 1.00 24.11 H new ATOM 0 HE22 GLN A 24 -4.129 -2.648 -3.062 1.00 24.11 H new ATOM 372 N THR A 25 -2.930 -9.139 -1.946 1.00 62.13 N ATOM 373 CA THR A 25 -3.012 -10.337 -2.756 1.00 42.24 C ATOM 374 C THR A 25 -3.125 -11.578 -1.862 1.00 0.54 C ATOM 375 O THR A 25 -4.069 -12.338 -1.986 1.00 0.44 O ATOM 376 CB THR A 25 -1.790 -10.470 -3.690 1.00 75.01 C ATOM 377 OG1 THR A 25 -1.658 -9.278 -4.481 1.00 1.53 O ATOM 378 CG2 THR A 25 -1.941 -11.672 -4.616 1.00 41.34 C ATOM 0 H THR A 25 -1.984 -8.777 -1.823 1.00 62.13 H new ATOM 0 HA THR A 25 -3.905 -10.258 -3.376 1.00 42.24 H new ATOM 0 HB THR A 25 -0.901 -10.612 -3.075 1.00 75.01 H new ATOM 0 HG1 THR A 25 -1.393 -8.531 -3.905 1.00 1.53 H new ATOM 0 HG21 THR A 25 -1.068 -11.744 -5.264 1.00 41.34 H new ATOM 0 HG22 THR A 25 -2.027 -12.581 -4.021 1.00 41.34 H new ATOM 0 HG23 THR A 25 -2.836 -11.551 -5.226 1.00 41.34 H new ATOM 386 N CYS A 26 -2.103 -11.812 -1.036 1.00 13.54 N ATOM 387 CA CYS A 26 -2.094 -12.900 -0.028 1.00 64.41 C ATOM 388 C CYS A 26 -3.498 -13.134 0.580 1.00 61.21 C ATOM 389 O CYS A 26 -3.947 -14.279 0.697 1.00 32.34 O ATOM 390 CB CYS A 26 -1.081 -12.553 1.084 1.00 43.43 C ATOM 391 SG CYS A 26 -0.884 -13.820 2.384 1.00 5.43 S ATOM 0 H CYS A 26 -1.249 -11.255 -1.039 1.00 13.54 H new ATOM 0 HA CYS A 26 -1.800 -13.825 -0.525 1.00 64.41 H new ATOM 0 HB2 CYS A 26 -0.109 -12.374 0.624 1.00 43.43 H new ATOM 0 HB3 CYS A 26 -1.388 -11.619 1.554 1.00 43.43 H new ATOM 396 N ARG A 27 -4.190 -12.046 0.948 1.00 54.43 N ATOM 397 CA ARG A 27 -5.559 -12.144 1.470 1.00 73.31 C ATOM 398 C ARG A 27 -6.493 -12.712 0.410 1.00 44.21 C ATOM 399 O ARG A 27 -7.208 -13.690 0.646 1.00 52.11 O ATOM 400 CB ARG A 27 -6.077 -10.769 1.904 1.00 71.01 C ATOM 401 CG ARG A 27 -5.931 -10.472 3.385 1.00 15.13 C ATOM 402 CD ARG A 27 -4.483 -10.380 3.811 1.00 70.12 C ATOM 403 NE ARG A 27 -4.371 -10.060 5.228 1.00 63.42 N ATOM 404 CZ ARG A 27 -3.238 -9.767 5.855 1.00 11.14 C ATOM 405 NH1 ARG A 27 -2.083 -9.793 5.202 1.00 64.00 N ATOM 406 NH2 ARG A 27 -3.263 -9.462 7.139 1.00 45.43 N ATOM 0 H ARG A 27 -3.826 -11.095 0.894 1.00 54.43 H new ATOM 0 HA ARG A 27 -5.537 -12.809 2.334 1.00 73.31 H new ATOM 0 HB2 ARG A 27 -5.546 -10.002 1.340 1.00 71.01 H new ATOM 0 HB3 ARG A 27 -7.130 -10.692 1.634 1.00 71.01 H new ATOM 0 HG2 ARG A 27 -6.436 -9.534 3.617 1.00 15.13 H new ATOM 0 HG3 ARG A 27 -6.428 -11.253 3.961 1.00 15.13 H new ATOM 0 HD2 ARG A 27 -3.981 -11.326 3.608 1.00 70.12 H new ATOM 0 HD3 ARG A 27 -3.975 -9.616 3.222 1.00 70.12 H new ATOM 0 HE ARG A 27 -5.228 -10.061 5.780 1.00 63.42 H new ATOM 0 HH11 ARG A 27 -2.062 -10.039 4.212 1.00 64.00 H new ATOM 0 HH12 ARG A 27 -1.216 -9.567 5.690 1.00 64.00 H new ATOM 0 HH21 ARG A 27 -4.149 -9.452 7.644 1.00 45.43 H new ATOM 0 HH22 ARG A 27 -2.396 -9.236 7.626 1.00 45.43 H new ATOM 420 N GLU A 28 -6.459 -12.091 -0.757 1.00 41.53 N ATOM 421 CA GLU A 28 -7.287 -12.462 -1.893 1.00 40.34 C ATOM 422 C GLU A 28 -7.122 -13.947 -2.260 1.00 34.03 C ATOM 423 O GLU A 28 -8.112 -14.640 -2.503 1.00 2.14 O ATOM 424 CB GLU A 28 -6.930 -11.574 -3.086 1.00 21.04 C ATOM 425 CG GLU A 28 -7.813 -11.761 -4.298 1.00 73.22 C ATOM 426 CD GLU A 28 -7.402 -10.871 -5.447 1.00 45.40 C ATOM 427 OE1 GLU A 28 -7.769 -9.683 -5.440 1.00 11.14 O ATOM 428 OE2 GLU A 28 -6.708 -11.355 -6.365 1.00 22.00 O ATOM 0 H GLU A 28 -5.843 -11.300 -0.945 1.00 41.53 H new ATOM 0 HA GLU A 28 -8.332 -12.313 -1.621 1.00 40.34 H new ATOM 0 HB2 GLU A 28 -6.981 -10.531 -2.774 1.00 21.04 H new ATOM 0 HB3 GLU A 28 -5.897 -11.771 -3.372 1.00 21.04 H new ATOM 0 HG2 GLU A 28 -7.774 -12.803 -4.616 1.00 73.22 H new ATOM 0 HG3 GLU A 28 -8.847 -11.548 -4.028 1.00 73.22 H new ATOM 435 N GLU A 29 -5.874 -14.433 -2.300 1.00 45.54 N ATOM 436 CA GLU A 29 -5.605 -15.835 -2.632 1.00 43.12 C ATOM 437 C GLU A 29 -6.207 -16.779 -1.603 1.00 14.31 C ATOM 438 O GLU A 29 -6.765 -17.821 -1.954 1.00 30.31 O ATOM 439 CB GLU A 29 -4.102 -16.102 -2.742 1.00 52.42 C ATOM 440 CG GLU A 29 -3.470 -15.607 -4.028 1.00 61.43 C ATOM 441 CD GLU A 29 -2.025 -16.039 -4.157 1.00 2.34 C ATOM 442 OE1 GLU A 29 -1.759 -17.264 -4.168 1.00 30.53 O ATOM 443 OE2 GLU A 29 -1.141 -15.160 -4.233 1.00 43.31 O ATOM 0 H GLU A 29 -5.040 -13.878 -2.107 1.00 45.54 H new ATOM 0 HA GLU A 29 -6.073 -16.023 -3.598 1.00 43.12 H new ATOM 0 HB2 GLU A 29 -3.599 -15.629 -1.899 1.00 52.42 H new ATOM 0 HB3 GLU A 29 -3.929 -17.175 -2.656 1.00 52.42 H new ATOM 0 HG2 GLU A 29 -4.038 -15.984 -4.879 1.00 61.43 H new ATOM 0 HG3 GLU A 29 -3.527 -14.519 -4.064 1.00 61.43 H new ATOM 450 N HIS A 30 -6.094 -16.418 -0.334 1.00 61.53 N ATOM 451 CA HIS A 30 -6.628 -17.249 0.731 1.00 55.24 C ATOM 452 C HIS A 30 -8.150 -17.303 0.644 1.00 51.20 C ATOM 453 O HIS A 30 -8.763 -18.313 0.978 1.00 42.30 O ATOM 454 CB HIS A 30 -6.182 -16.724 2.097 1.00 14.32 C ATOM 455 CG HIS A 30 -6.221 -17.755 3.190 1.00 12.31 C ATOM 456 ND1 HIS A 30 -5.091 -18.389 3.665 1.00 31.05 N ATOM 457 CD2 HIS A 30 -7.254 -18.250 3.914 1.00 63.21 C ATOM 458 CE1 HIS A 30 -5.426 -19.223 4.627 1.00 40.53 C ATOM 459 NE2 HIS A 30 -6.730 -19.158 4.800 1.00 4.20 N ATOM 0 H HIS A 30 -5.640 -15.561 -0.019 1.00 61.53 H new ATOM 0 HA HIS A 30 -6.239 -18.260 0.613 1.00 55.24 H new ATOM 0 HB2 HIS A 30 -5.166 -16.337 2.012 1.00 14.32 H new ATOM 0 HB3 HIS A 30 -6.820 -15.886 2.379 1.00 14.32 H new ATOM 0 HD2 HIS A 30 -8.295 -17.980 3.813 1.00 63.21 H new ATOM 0 HE1 HIS A 30 -4.746 -19.854 5.181 1.00 40.53 H new ATOM 0 HE2 HIS A 30 -7.264 -19.696 5.482 1.00 4.20 H new ATOM 468 N LYS A 31 -8.750 -16.207 0.182 1.00 32.11 N ATOM 469 CA LYS A 31 -10.197 -16.141 -0.006 1.00 54.43 C ATOM 470 C LYS A 31 -10.620 -17.048 -1.158 1.00 33.15 C ATOM 471 O LYS A 31 -11.725 -17.600 -1.163 1.00 23.13 O ATOM 472 CB LYS A 31 -10.641 -14.704 -0.295 1.00 22.42 C ATOM 473 CG LYS A 31 -10.437 -13.735 0.858 1.00 54.54 C ATOM 474 CD LYS A 31 -11.294 -14.105 2.056 1.00 50.04 C ATOM 475 CE LYS A 31 -11.147 -13.094 3.180 1.00 14.35 C ATOM 476 NZ LYS A 31 -11.650 -11.752 2.792 1.00 24.15 N ATOM 0 H LYS A 31 -8.255 -15.351 -0.069 1.00 32.11 H new ATOM 0 HA LYS A 31 -10.675 -16.478 0.914 1.00 54.43 H new ATOM 0 HB2 LYS A 31 -10.094 -14.336 -1.163 1.00 22.42 H new ATOM 0 HB3 LYS A 31 -11.697 -14.711 -0.564 1.00 22.42 H new ATOM 0 HG2 LYS A 31 -9.386 -13.730 1.149 1.00 54.54 H new ATOM 0 HG3 LYS A 31 -10.682 -12.724 0.532 1.00 54.54 H new ATOM 0 HD2 LYS A 31 -12.339 -14.164 1.753 1.00 50.04 H new ATOM 0 HD3 LYS A 31 -11.011 -15.094 2.416 1.00 50.04 H new ATOM 0 HE2 LYS A 31 -11.691 -13.445 4.057 1.00 14.35 H new ATOM 0 HE3 LYS A 31 -10.098 -13.019 3.465 1.00 14.35 H new ATOM 0 HZ1 LYS A 31 -11.769 -11.167 3.643 1.00 24.15 H new ATOM 0 HZ2 LYS A 31 -10.968 -11.297 2.152 1.00 24.15 H new ATOM 0 HZ3 LYS A 31 -12.565 -11.851 2.309 1.00 24.15 H new ATOM 490 N LYS A 32 -9.738 -17.173 -2.138 1.00 71.00 N ATOM 491 CA LYS A 32 -9.978 -18.043 -3.280 1.00 40.25 C ATOM 492 C LYS A 32 -10.060 -19.494 -2.837 1.00 70.44 C ATOM 493 O LYS A 32 -11.034 -20.190 -3.127 1.00 45.12 O ATOM 494 CB LYS A 32 -8.861 -17.899 -4.323 1.00 22.25 C ATOM 495 CG LYS A 32 -8.813 -16.554 -5.019 1.00 4.40 C ATOM 496 CD LYS A 32 -10.048 -16.325 -5.873 1.00 24.23 C ATOM 497 CE LYS A 32 -9.948 -15.026 -6.644 1.00 21.01 C ATOM 498 NZ LYS A 32 -9.800 -13.858 -5.744 1.00 0.35 N ATOM 0 H LYS A 32 -8.845 -16.680 -2.165 1.00 71.00 H new ATOM 0 HA LYS A 32 -10.926 -17.745 -3.728 1.00 40.25 H new ATOM 0 HB2 LYS A 32 -7.902 -18.075 -3.835 1.00 22.25 H new ATOM 0 HB3 LYS A 32 -8.983 -18.678 -5.076 1.00 22.25 H new ATOM 0 HG2 LYS A 32 -8.731 -15.761 -4.276 1.00 4.40 H new ATOM 0 HG3 LYS A 32 -7.922 -16.498 -5.644 1.00 4.40 H new ATOM 0 HD2 LYS A 32 -10.171 -17.155 -6.569 1.00 24.23 H new ATOM 0 HD3 LYS A 32 -10.934 -16.307 -5.238 1.00 24.23 H new ATOM 0 HE2 LYS A 32 -9.096 -15.071 -7.323 1.00 21.01 H new ATOM 0 HE3 LYS A 32 -10.839 -14.900 -7.259 1.00 21.01 H new ATOM 0 HZ1 LYS A 32 -10.689 -13.318 -5.727 1.00 0.35 H new ATOM 0 HZ2 LYS A 32 -9.575 -14.186 -4.783 1.00 0.35 H new ATOM 0 HZ3 LYS A 32 -9.032 -13.248 -6.090 1.00 0.35 H new ATOM 512 N LYS A 33 -9.039 -19.944 -2.120 1.00 34.40 N ATOM 513 CA LYS A 33 -8.942 -21.323 -1.679 1.00 30.44 C ATOM 514 C LYS A 33 -9.930 -21.620 -0.557 1.00 33.44 C ATOM 515 O LYS A 33 -10.454 -22.726 -0.459 1.00 12.44 O ATOM 516 CB LYS A 33 -7.518 -21.602 -1.199 1.00 5.44 C ATOM 517 CG LYS A 33 -6.445 -21.213 -2.206 1.00 34.12 C ATOM 518 CD LYS A 33 -5.051 -21.294 -1.603 1.00 54.50 C ATOM 519 CE LYS A 33 -4.661 -22.725 -1.272 1.00 20.33 C ATOM 520 NZ LYS A 33 -4.558 -23.565 -2.487 1.00 63.12 N ATOM 0 H LYS A 33 -8.255 -19.360 -1.829 1.00 34.40 H new ATOM 0 HA LYS A 33 -9.187 -21.970 -2.522 1.00 30.44 H new ATOM 0 HB2 LYS A 33 -7.345 -21.060 -0.269 1.00 5.44 H new ATOM 0 HB3 LYS A 33 -7.422 -22.664 -0.971 1.00 5.44 H new ATOM 0 HG2 LYS A 33 -6.505 -21.870 -3.074 1.00 34.12 H new ATOM 0 HG3 LYS A 33 -6.630 -20.199 -2.561 1.00 34.12 H new ATOM 0 HD2 LYS A 33 -4.328 -20.873 -2.301 1.00 54.50 H new ATOM 0 HD3 LYS A 33 -5.011 -20.688 -0.698 1.00 54.50 H new ATOM 0 HE2 LYS A 33 -3.706 -22.729 -0.746 1.00 20.33 H new ATOM 0 HE3 LYS A 33 -5.399 -23.155 -0.595 1.00 20.33 H new ATOM 0 HZ1 LYS A 33 -4.068 -24.453 -2.255 1.00 63.12 H new ATOM 0 HZ2 LYS A 33 -5.511 -23.779 -2.843 1.00 63.12 H new ATOM 0 HZ3 LYS A 33 -4.022 -23.055 -3.217 1.00 63.12 H new ATOM 534 N HIS A 34 -10.180 -20.632 0.286 1.00 24.22 N ATOM 535 CA HIS A 34 -11.087 -20.796 1.413 1.00 5.31 C ATOM 536 C HIS A 34 -11.968 -19.564 1.577 1.00 63.45 C ATOM 537 O HIS A 34 -11.559 -18.576 2.194 1.00 11.13 O ATOM 538 CB HIS A 34 -10.315 -21.063 2.724 1.00 11.35 C ATOM 539 CG HIS A 34 -9.653 -22.411 2.798 1.00 41.03 C ATOM 540 ND1 HIS A 34 -10.229 -23.502 3.414 1.00 23.44 N ATOM 541 CD2 HIS A 34 -8.451 -22.839 2.341 1.00 51.44 C ATOM 542 CE1 HIS A 34 -9.415 -24.535 3.332 1.00 63.54 C ATOM 543 NE2 HIS A 34 -8.332 -24.160 2.687 1.00 33.10 N ATOM 0 H HIS A 34 -9.766 -19.703 0.212 1.00 24.22 H new ATOM 0 HA HIS A 34 -11.716 -21.661 1.202 1.00 5.31 H new ATOM 0 HB2 HIS A 34 -9.554 -20.292 2.845 1.00 11.35 H new ATOM 0 HB3 HIS A 34 -11.005 -20.965 3.562 1.00 11.35 H new ATOM 0 HD2 HIS A 34 -7.723 -22.249 1.804 1.00 51.44 H new ATOM 0 HE1 HIS A 34 -9.605 -25.522 3.727 1.00 63.54 H new ATOM 0 HE2 HIS A 34 -7.532 -24.757 2.478 1.00 33.10 H new ATOM 552 N PRO A 35 -13.188 -19.595 1.008 1.00 61.31 N ATOM 553 CA PRO A 35 -14.146 -18.484 1.115 1.00 21.33 C ATOM 554 C PRO A 35 -14.565 -18.227 2.560 1.00 11.14 C ATOM 555 O PRO A 35 -14.974 -17.119 2.916 1.00 33.12 O ATOM 556 CB PRO A 35 -15.351 -18.963 0.291 1.00 42.32 C ATOM 557 CG PRO A 35 -14.812 -20.042 -0.586 1.00 34.01 C ATOM 558 CD PRO A 35 -13.720 -20.699 0.196 1.00 24.41 C ATOM 0 HA PRO A 35 -13.720 -17.545 0.762 1.00 21.33 H new ATOM 0 HB2 PRO A 35 -16.146 -19.338 0.935 1.00 42.32 H new ATOM 0 HB3 PRO A 35 -15.775 -18.150 -0.298 1.00 42.32 H new ATOM 0 HG2 PRO A 35 -15.591 -20.759 -0.847 1.00 34.01 H new ATOM 0 HG3 PRO A 35 -14.430 -19.631 -1.521 1.00 34.01 H new ATOM 0 HD2 PRO A 35 -14.100 -21.511 0.817 1.00 24.41 H new ATOM 0 HD3 PRO A 35 -12.957 -21.126 -0.455 1.00 24.41 H new ATOM 566 N ASP A 36 -14.443 -19.255 3.392 1.00 41.14 N ATOM 567 CA ASP A 36 -14.794 -19.182 4.810 1.00 40.15 C ATOM 568 C ASP A 36 -13.570 -18.800 5.631 1.00 73.30 C ATOM 569 O ASP A 36 -13.463 -19.179 6.797 1.00 2.23 O ATOM 570 CB ASP A 36 -15.329 -20.534 5.300 1.00 25.34 C ATOM 571 CG ASP A 36 -16.488 -21.046 4.480 1.00 61.53 C ATOM 572 OD1 ASP A 36 -17.634 -20.624 4.730 1.00 50.13 O ATOM 573 OD2 ASP A 36 -16.255 -21.877 3.575 1.00 2.25 O ATOM 0 H ASP A 36 -14.096 -20.169 3.102 1.00 41.14 H new ATOM 0 HA ASP A 36 -15.568 -18.425 4.933 1.00 40.15 H new ATOM 0 HB2 ASP A 36 -14.523 -21.267 5.276 1.00 25.34 H new ATOM 0 HB3 ASP A 36 -15.642 -20.439 6.340 1.00 25.34 H new ATOM 578 N ALA A 37 -12.637 -18.089 4.978 1.00 73.21 N ATOM 579 CA ALA A 37 -11.335 -17.656 5.547 1.00 24.23 C ATOM 580 C ALA A 37 -11.306 -17.508 7.078 1.00 44.14 C ATOM 581 O ALA A 37 -10.391 -18.042 7.712 1.00 2.43 O ATOM 582 CB ALA A 37 -10.863 -16.378 4.882 1.00 25.45 C ATOM 0 H ALA A 37 -12.764 -17.787 4.012 1.00 73.21 H new ATOM 0 HA ALA A 37 -10.646 -18.472 5.328 1.00 24.23 H new ATOM 0 HB1 ALA A 37 -9.908 -16.076 5.311 1.00 25.45 H new ATOM 0 HB2 ALA A 37 -10.742 -16.548 3.812 1.00 25.45 H new ATOM 0 HB3 ALA A 37 -11.599 -15.590 5.044 1.00 25.45 H new ATOM 588 N SER A 38 -12.329 -16.857 7.685 1.00 45.42 N ATOM 589 CA SER A 38 -12.384 -16.639 9.148 1.00 51.23 C ATOM 590 C SER A 38 -11.005 -16.242 9.717 1.00 4.44 C ATOM 591 O SER A 38 -10.616 -16.682 10.804 1.00 42.03 O ATOM 592 CB SER A 38 -12.905 -17.897 9.836 1.00 60.23 C ATOM 593 OG SER A 38 -14.122 -18.322 9.242 1.00 12.04 O ATOM 0 H SER A 38 -13.128 -16.474 7.180 1.00 45.42 H new ATOM 0 HA SER A 38 -13.066 -15.811 9.343 1.00 51.23 H new ATOM 0 HB2 SER A 38 -12.162 -18.691 9.765 1.00 60.23 H new ATOM 0 HB3 SER A 38 -13.061 -17.700 10.897 1.00 60.23 H new ATOM 0 HG SER A 38 -13.942 -18.679 8.347 1.00 12.04 H new ATOM 599 N VAL A 39 -10.277 -15.414 8.976 1.00 30.22 N ATOM 600 CA VAL A 39 -8.920 -15.039 9.358 1.00 31.21 C ATOM 601 C VAL A 39 -8.889 -13.732 10.158 1.00 70.23 C ATOM 602 O VAL A 39 -9.929 -13.207 10.569 1.00 12.22 O ATOM 603 CB VAL A 39 -7.995 -14.894 8.116 1.00 60.02 C ATOM 604 CG1 VAL A 39 -7.759 -16.243 7.458 1.00 61.33 C ATOM 605 CG2 VAL A 39 -8.583 -13.904 7.114 1.00 43.43 C ATOM 0 H VAL A 39 -10.603 -14.990 8.108 1.00 30.22 H new ATOM 0 HA VAL A 39 -8.550 -15.847 9.989 1.00 31.21 H new ATOM 0 HB VAL A 39 -7.034 -14.507 8.455 1.00 60.02 H new ATOM 0 HG11 VAL A 39 -7.109 -16.117 6.592 1.00 61.33 H new ATOM 0 HG12 VAL A 39 -7.286 -16.918 8.171 1.00 61.33 H new ATOM 0 HG13 VAL A 39 -8.712 -16.664 7.138 1.00 61.33 H new ATOM 0 HG21 VAL A 39 -7.919 -13.819 6.254 1.00 43.43 H new ATOM 0 HG22 VAL A 39 -9.560 -14.257 6.784 1.00 43.43 H new ATOM 0 HG23 VAL A 39 -8.691 -12.928 7.587 1.00 43.43 H new ATOM 615 N ASN A 40 -7.689 -13.220 10.359 1.00 34.40 N ATOM 616 CA ASN A 40 -7.488 -11.984 11.102 1.00 72.12 C ATOM 617 C ASN A 40 -6.300 -11.207 10.546 1.00 44.42 C ATOM 618 O ASN A 40 -5.303 -11.797 10.144 1.00 5.21 O ATOM 619 CB ASN A 40 -7.292 -12.293 12.590 1.00 13.13 C ATOM 620 CG ASN A 40 -6.941 -11.072 13.406 1.00 34.22 C ATOM 621 OD1 ASN A 40 -5.769 -10.779 13.627 1.00 30.21 O ATOM 622 ND2 ASN A 40 -7.949 -10.350 13.853 1.00 50.11 N ATOM 0 H ASN A 40 -6.828 -13.645 10.015 1.00 34.40 H new ATOM 0 HA ASN A 40 -8.375 -11.360 10.991 1.00 72.12 H new ATOM 0 HB2 ASN A 40 -8.205 -12.738 12.986 1.00 13.13 H new ATOM 0 HB3 ASN A 40 -6.502 -13.036 12.700 1.00 13.13 H new ATOM 0 HD21 ASN A 40 -7.770 -9.512 14.406 1.00 50.11 H new ATOM 0 HD22 ASN A 40 -8.908 -10.630 13.646 1.00 50.11 H new ATOM 629 N PHE A 41 -6.405 -9.882 10.546 1.00 21.13 N ATOM 630 CA PHE A 41 -5.384 -9.017 9.962 1.00 10.31 C ATOM 631 C PHE A 41 -4.043 -9.066 10.706 1.00 2.13 C ATOM 632 O PHE A 41 -3.004 -8.835 10.109 1.00 23.00 O ATOM 633 CB PHE A 41 -5.897 -7.573 9.880 1.00 63.43 C ATOM 634 CG PHE A 41 -4.982 -6.643 9.131 1.00 70.33 C ATOM 635 CD1 PHE A 41 -4.884 -6.714 7.751 1.00 22.14 C ATOM 636 CD2 PHE A 41 -4.219 -5.704 9.803 1.00 53.22 C ATOM 637 CE1 PHE A 41 -4.041 -5.869 7.057 1.00 22.13 C ATOM 638 CE2 PHE A 41 -3.375 -4.855 9.116 1.00 24.40 C ATOM 639 CZ PHE A 41 -3.285 -4.939 7.740 1.00 54.40 C ATOM 0 H PHE A 41 -7.196 -9.379 10.948 1.00 21.13 H new ATOM 0 HA PHE A 41 -5.192 -9.399 8.959 1.00 10.31 H new ATOM 0 HB2 PHE A 41 -6.874 -7.572 9.398 1.00 63.43 H new ATOM 0 HB3 PHE A 41 -6.040 -7.191 10.891 1.00 63.43 H new ATOM 0 HD1 PHE A 41 -5.474 -7.439 7.211 1.00 22.14 H new ATOM 0 HD2 PHE A 41 -4.285 -5.635 10.879 1.00 53.22 H new ATOM 0 HE1 PHE A 41 -3.974 -5.936 5.981 1.00 22.13 H new ATOM 0 HE2 PHE A 41 -2.786 -4.126 9.653 1.00 24.40 H new ATOM 0 HZ PHE A 41 -2.624 -4.278 7.200 1.00 54.40 H new ATOM 649 N SER A 42 -4.060 -9.395 11.977 1.00 11.32 N ATOM 650 CA SER A 42 -2.829 -9.411 12.750 1.00 60.41 C ATOM 651 C SER A 42 -2.009 -10.673 12.475 1.00 71.05 C ATOM 652 O SER A 42 -0.883 -10.599 11.976 1.00 41.35 O ATOM 653 CB SER A 42 -3.136 -9.276 14.252 1.00 62.30 C ATOM 654 OG SER A 42 -1.949 -9.143 15.026 1.00 42.32 O ATOM 0 H SER A 42 -4.899 -9.653 12.497 1.00 11.32 H new ATOM 0 HA SER A 42 -2.228 -8.556 12.439 1.00 60.41 H new ATOM 0 HB2 SER A 42 -3.775 -8.408 14.415 1.00 62.30 H new ATOM 0 HB3 SER A 42 -3.693 -10.150 14.589 1.00 62.30 H new ATOM 0 HG SER A 42 -2.184 -9.058 15.974 1.00 42.32 H new ATOM 660 N GLU A 43 -2.586 -11.823 12.766 1.00 70.31 N ATOM 661 CA GLU A 43 -1.872 -13.086 12.624 1.00 34.12 C ATOM 662 C GLU A 43 -1.647 -13.483 11.161 1.00 71.25 C ATOM 663 O GLU A 43 -0.682 -14.175 10.844 1.00 70.50 O ATOM 664 CB GLU A 43 -2.587 -14.202 13.385 1.00 2.03 C ATOM 665 CG GLU A 43 -4.048 -14.367 13.022 1.00 73.13 C ATOM 666 CD GLU A 43 -4.672 -15.564 13.696 1.00 13.54 C ATOM 667 OE1 GLU A 43 -4.593 -16.676 13.129 1.00 54.42 O ATOM 668 OE2 GLU A 43 -5.241 -15.407 14.791 1.00 44.22 O ATOM 0 H GLU A 43 -3.545 -11.913 13.102 1.00 70.31 H new ATOM 0 HA GLU A 43 -0.885 -12.936 13.061 1.00 34.12 H new ATOM 0 HB2 GLU A 43 -2.070 -15.143 13.198 1.00 2.03 H new ATOM 0 HB3 GLU A 43 -2.510 -14.004 14.454 1.00 2.03 H new ATOM 0 HG2 GLU A 43 -4.595 -13.467 13.305 1.00 73.13 H new ATOM 0 HG3 GLU A 43 -4.142 -14.471 11.941 1.00 73.13 H new ATOM 675 N PHE A 44 -2.521 -13.048 10.272 1.00 20.22 N ATOM 676 CA PHE A 44 -2.375 -13.405 8.869 1.00 10.01 C ATOM 677 C PHE A 44 -1.233 -12.625 8.205 1.00 53.24 C ATOM 678 O PHE A 44 -0.553 -13.146 7.324 1.00 53.11 O ATOM 679 CB PHE A 44 -3.684 -13.210 8.108 1.00 71.24 C ATOM 680 CG PHE A 44 -3.737 -13.977 6.823 1.00 51.10 C ATOM 681 CD1 PHE A 44 -3.692 -15.359 6.832 1.00 34.22 C ATOM 682 CD2 PHE A 44 -3.829 -13.323 5.611 1.00 40.30 C ATOM 683 CE1 PHE A 44 -3.735 -16.073 5.656 1.00 42.45 C ATOM 684 CE2 PHE A 44 -3.873 -14.033 4.429 1.00 31.03 C ATOM 685 CZ PHE A 44 -3.826 -15.409 4.452 1.00 52.25 C ATOM 0 H PHE A 44 -3.325 -12.458 10.488 1.00 20.22 H new ATOM 0 HA PHE A 44 -2.119 -14.464 8.829 1.00 10.01 H new ATOM 0 HB2 PHE A 44 -4.515 -13.518 8.742 1.00 71.24 H new ATOM 0 HB3 PHE A 44 -3.820 -12.149 7.897 1.00 71.24 H new ATOM 0 HD1 PHE A 44 -3.622 -15.884 7.773 1.00 34.22 H new ATOM 0 HD2 PHE A 44 -3.867 -12.244 5.588 1.00 40.30 H new ATOM 0 HE1 PHE A 44 -3.697 -17.152 5.677 1.00 42.45 H new ATOM 0 HE2 PHE A 44 -3.944 -13.510 3.487 1.00 31.03 H new ATOM 0 HZ PHE A 44 -3.860 -15.967 3.528 1.00 52.25 H new ATOM 695 N SER A 45 -1.015 -11.388 8.644 1.00 53.03 N ATOM 696 CA SER A 45 0.065 -10.566 8.097 1.00 52.42 C ATOM 697 C SER A 45 1.429 -11.221 8.270 1.00 42.41 C ATOM 698 O SER A 45 2.234 -11.242 7.333 1.00 60.02 O ATOM 699 CB SER A 45 0.066 -9.181 8.730 1.00 22.23 C ATOM 700 OG SER A 45 -1.094 -8.458 8.363 1.00 52.31 O ATOM 0 H SER A 45 -1.567 -10.934 9.372 1.00 53.03 H new ATOM 0 HA SER A 45 -0.122 -10.469 7.028 1.00 52.42 H new ATOM 0 HB2 SER A 45 0.114 -9.273 9.815 1.00 22.23 H new ATOM 0 HB3 SER A 45 0.955 -8.634 8.416 1.00 22.23 H new ATOM 0 HG SER A 45 -1.727 -8.454 9.111 1.00 52.31 H new ATOM 706 N LYS A 46 1.684 -11.770 9.451 1.00 43.45 N ATOM 707 CA LYS A 46 2.965 -12.397 9.722 1.00 22.35 C ATOM 708 C LYS A 46 3.148 -13.667 8.892 1.00 71.42 C ATOM 709 O LYS A 46 4.263 -14.008 8.520 1.00 33.12 O ATOM 710 CB LYS A 46 3.147 -12.677 11.222 1.00 32.10 C ATOM 711 CG LYS A 46 2.121 -13.620 11.820 1.00 30.40 C ATOM 712 CD LYS A 46 2.308 -13.760 13.319 1.00 52.21 C ATOM 713 CE LYS A 46 1.340 -14.770 13.911 1.00 24.14 C ATOM 714 NZ LYS A 46 1.641 -16.155 13.467 1.00 4.13 N ATOM 0 H LYS A 46 1.025 -11.793 10.229 1.00 43.45 H new ATOM 0 HA LYS A 46 3.743 -11.694 9.424 1.00 22.35 H new ATOM 0 HB2 LYS A 46 4.141 -13.095 11.382 1.00 32.10 H new ATOM 0 HB3 LYS A 46 3.109 -11.731 11.762 1.00 32.10 H new ATOM 0 HG2 LYS A 46 1.118 -13.250 11.610 1.00 30.40 H new ATOM 0 HG3 LYS A 46 2.205 -14.599 11.348 1.00 30.40 H new ATOM 0 HD2 LYS A 46 3.332 -14.068 13.531 1.00 52.21 H new ATOM 0 HD3 LYS A 46 2.161 -12.791 13.797 1.00 52.21 H new ATOM 0 HE2 LYS A 46 1.384 -14.720 14.999 1.00 24.14 H new ATOM 0 HE3 LYS A 46 0.322 -14.510 13.621 1.00 24.14 H new ATOM 0 HZ1 LYS A 46 1.097 -16.830 14.042 1.00 4.13 H new ATOM 0 HZ2 LYS A 46 1.379 -16.263 12.466 1.00 4.13 H new ATOM 0 HZ3 LYS A 46 2.657 -16.343 13.581 1.00 4.13 H new ATOM 728 N LYS A 47 2.049 -14.367 8.602 1.00 64.14 N ATOM 729 CA LYS A 47 2.120 -15.556 7.761 1.00 63.20 C ATOM 730 C LYS A 47 2.326 -15.183 6.305 1.00 25.52 C ATOM 731 O LYS A 47 3.010 -15.891 5.565 1.00 5.32 O ATOM 732 CB LYS A 47 0.881 -16.427 7.918 1.00 22.03 C ATOM 733 CG LYS A 47 0.724 -17.006 9.310 1.00 1.15 C ATOM 734 CD LYS A 47 -0.093 -18.287 9.297 1.00 41.42 C ATOM 735 CE LYS A 47 0.626 -19.402 8.542 1.00 54.25 C ATOM 736 NZ LYS A 47 1.990 -19.666 9.086 1.00 2.04 N ATOM 0 H LYS A 47 1.113 -14.133 8.933 1.00 64.14 H new ATOM 0 HA LYS A 47 2.981 -16.136 8.093 1.00 63.20 H new ATOM 0 HB2 LYS A 47 -0.002 -15.836 7.677 1.00 22.03 H new ATOM 0 HB3 LYS A 47 0.926 -17.243 7.196 1.00 22.03 H new ATOM 0 HG2 LYS A 47 1.708 -17.206 9.734 1.00 1.15 H new ATOM 0 HG3 LYS A 47 0.241 -16.273 9.957 1.00 1.15 H new ATOM 0 HD2 LYS A 47 -0.287 -18.606 10.321 1.00 41.42 H new ATOM 0 HD3 LYS A 47 -1.061 -18.098 8.833 1.00 41.42 H new ATOM 0 HE2 LYS A 47 0.033 -20.315 8.595 1.00 54.25 H new ATOM 0 HE3 LYS A 47 0.703 -19.133 7.488 1.00 54.25 H new ATOM 0 HZ1 LYS A 47 2.358 -20.552 8.685 1.00 2.04 H new ATOM 0 HZ2 LYS A 47 2.623 -18.881 8.831 1.00 2.04 H new ATOM 0 HZ3 LYS A 47 1.941 -19.748 10.122 1.00 2.04 H new ATOM 750 N CYS A 48 1.735 -14.084 5.902 1.00 0.22 N ATOM 751 CA CYS A 48 1.937 -13.594 4.550 1.00 64.45 C ATOM 752 C CYS A 48 3.404 -13.265 4.326 1.00 72.22 C ATOM 753 O CYS A 48 4.026 -13.783 3.394 1.00 41.40 O ATOM 754 CB CYS A 48 1.058 -12.373 4.255 1.00 13.31 C ATOM 755 SG CYS A 48 -0.726 -12.740 4.108 1.00 11.10 S ATOM 0 H CYS A 48 1.116 -13.514 6.479 1.00 0.22 H new ATOM 0 HA CYS A 48 1.642 -14.383 3.859 1.00 64.45 H new ATOM 0 HB2 CYS A 48 1.201 -11.639 5.048 1.00 13.31 H new ATOM 0 HB3 CYS A 48 1.399 -11.912 3.328 1.00 13.31 H new ATOM 760 N SER A 49 3.953 -12.393 5.168 1.00 41.33 N ATOM 761 CA SER A 49 5.363 -12.029 5.090 1.00 74.31 C ATOM 762 C SER A 49 6.285 -13.264 5.051 1.00 72.15 C ATOM 763 O SER A 49 7.356 -13.215 4.442 1.00 14.05 O ATOM 764 CB SER A 49 5.744 -11.097 6.234 1.00 52.14 C ATOM 765 OG SER A 49 5.238 -11.567 7.464 1.00 63.03 O ATOM 0 H SER A 49 3.440 -11.924 5.914 1.00 41.33 H new ATOM 0 HA SER A 49 5.507 -11.498 4.149 1.00 74.31 H new ATOM 0 HB2 SER A 49 6.829 -11.013 6.292 1.00 52.14 H new ATOM 0 HB3 SER A 49 5.357 -10.097 6.037 1.00 52.14 H new ATOM 0 HG SER A 49 5.115 -12.538 7.417 1.00 63.03 H new ATOM 771 N GLU A 50 5.863 -14.370 5.692 1.00 2.24 N ATOM 772 CA GLU A 50 6.631 -15.617 5.642 1.00 63.22 C ATOM 773 C GLU A 50 6.858 -16.029 4.188 1.00 4.42 C ATOM 774 O GLU A 50 7.977 -16.349 3.788 1.00 61.02 O ATOM 775 CB GLU A 50 5.912 -16.754 6.392 1.00 43.42 C ATOM 776 CG GLU A 50 5.793 -16.548 7.894 1.00 24.24 C ATOM 777 CD GLU A 50 5.196 -17.753 8.605 1.00 51.21 C ATOM 778 OE1 GLU A 50 5.948 -18.715 8.881 1.00 11.13 O ATOM 779 OE2 GLU A 50 3.982 -17.747 8.896 1.00 54.14 O ATOM 0 H GLU A 50 5.006 -14.421 6.242 1.00 2.24 H new ATOM 0 HA GLU A 50 7.589 -15.439 6.131 1.00 63.22 H new ATOM 0 HB2 GLU A 50 4.912 -16.871 5.975 1.00 43.42 H new ATOM 0 HB3 GLU A 50 6.445 -17.687 6.208 1.00 43.42 H new ATOM 0 HG2 GLU A 50 6.780 -16.339 8.307 1.00 24.24 H new ATOM 0 HG3 GLU A 50 5.174 -15.672 8.089 1.00 24.24 H new ATOM 786 N ARG A 51 5.779 -16.021 3.403 1.00 12.12 N ATOM 787 CA ARG A 51 5.833 -16.354 1.984 1.00 31.43 C ATOM 788 C ARG A 51 6.583 -15.279 1.203 1.00 64.33 C ATOM 789 O ARG A 51 7.408 -15.587 0.356 1.00 1.32 O ATOM 790 CB ARG A 51 4.409 -16.509 1.433 1.00 64.51 C ATOM 791 CG ARG A 51 4.312 -16.499 -0.088 1.00 11.02 C ATOM 792 CD ARG A 51 2.868 -16.588 -0.546 1.00 52.45 C ATOM 793 NE ARG A 51 2.708 -16.220 -1.957 1.00 44.12 N ATOM 794 CZ ARG A 51 1.532 -15.932 -2.528 1.00 42.51 C ATOM 795 NH1 ARG A 51 0.406 -16.020 -1.826 1.00 14.44 N ATOM 796 NH2 ARG A 51 1.476 -15.570 -3.800 1.00 70.12 N ATOM 0 H ARG A 51 4.845 -15.783 3.736 1.00 12.12 H new ATOM 0 HA ARG A 51 6.369 -17.296 1.868 1.00 31.43 H new ATOM 0 HB2 ARG A 51 3.990 -17.444 1.804 1.00 64.51 H new ATOM 0 HB3 ARG A 51 3.791 -15.703 1.829 1.00 64.51 H new ATOM 0 HG2 ARG A 51 4.764 -15.587 -0.478 1.00 11.02 H new ATOM 0 HG3 ARG A 51 4.878 -17.336 -0.497 1.00 11.02 H new ATOM 0 HD2 ARG A 51 2.503 -17.604 -0.394 1.00 52.45 H new ATOM 0 HD3 ARG A 51 2.253 -15.933 0.070 1.00 52.45 H new ATOM 0 HE ARG A 51 3.545 -16.181 -2.539 1.00 44.12 H new ATOM 0 HH11 ARG A 51 0.436 -16.308 -0.848 1.00 14.44 H new ATOM 0 HH12 ARG A 51 -0.488 -15.799 -2.266 1.00 14.44 H new ATOM 0 HH21 ARG A 51 2.332 -15.509 -4.351 1.00 70.12 H new ATOM 0 HH22 ARG A 51 0.577 -15.352 -4.229 1.00 70.12 H new ATOM 810 N TRP A 52 6.271 -14.039 1.487 1.00 65.31 N ATOM 811 CA TRP A 52 6.899 -12.873 0.841 1.00 12.52 C ATOM 812 C TRP A 52 8.429 -12.999 0.804 1.00 1.54 C ATOM 813 O TRP A 52 9.069 -12.670 -0.198 1.00 65.01 O ATOM 814 CB TRP A 52 6.493 -11.589 1.583 1.00 52.34 C ATOM 815 CG TRP A 52 7.281 -10.367 1.196 1.00 32.34 C ATOM 816 CD1 TRP A 52 8.265 -9.767 1.928 1.00 10.23 C ATOM 817 CD2 TRP A 52 7.153 -9.598 -0.006 1.00 45.54 C ATOM 818 NE1 TRP A 52 8.755 -8.678 1.256 1.00 60.42 N ATOM 819 CE2 TRP A 52 8.091 -8.551 0.068 1.00 52.55 C ATOM 820 CE3 TRP A 52 6.340 -9.692 -1.134 1.00 71.12 C ATOM 821 CZ2 TRP A 52 8.236 -7.610 -0.944 1.00 55.14 C ATOM 822 CZ3 TRP A 52 6.485 -8.757 -2.138 1.00 62.13 C ATOM 823 CH2 TRP A 52 7.426 -7.730 -2.037 1.00 43.23 C ATOM 0 H TRP A 52 5.566 -13.789 2.181 1.00 65.31 H new ATOM 0 HA TRP A 52 6.547 -12.829 -0.190 1.00 12.52 H new ATOM 0 HB2 TRP A 52 5.436 -11.397 1.399 1.00 52.34 H new ATOM 0 HB3 TRP A 52 6.605 -11.753 2.655 1.00 52.34 H new ATOM 0 HD1 TRP A 52 8.607 -10.102 2.896 1.00 10.23 H new ATOM 0 HE1 TRP A 52 9.496 -8.061 1.589 1.00 60.42 H new ATOM 0 HE3 TRP A 52 5.609 -10.483 -1.221 1.00 71.12 H new ATOM 0 HZ2 TRP A 52 8.962 -6.814 -0.869 1.00 55.14 H new ATOM 0 HZ3 TRP A 52 5.860 -8.820 -3.017 1.00 62.13 H new ATOM 0 HH2 TRP A 52 7.515 -7.015 -2.841 1.00 43.23 H new ATOM 834 N LYS A 53 8.995 -13.493 1.888 1.00 25.40 N ATOM 835 CA LYS A 53 10.438 -13.630 2.015 1.00 43.12 C ATOM 836 C LYS A 53 10.965 -14.893 1.324 1.00 31.11 C ATOM 837 O LYS A 53 12.178 -15.088 1.219 1.00 34.15 O ATOM 838 CB LYS A 53 10.830 -13.631 3.488 1.00 20.52 C ATOM 839 CG LYS A 53 10.405 -12.375 4.227 1.00 14.54 C ATOM 840 CD LYS A 53 10.735 -12.460 5.702 1.00 34.32 C ATOM 841 CE LYS A 53 10.261 -11.227 6.443 1.00 43.33 C ATOM 842 NZ LYS A 53 10.614 -11.279 7.880 1.00 51.04 N ATOM 0 H LYS A 53 8.472 -13.810 2.704 1.00 25.40 H new ATOM 0 HA LYS A 53 10.895 -12.776 1.514 1.00 43.12 H new ATOM 0 HB2 LYS A 53 10.383 -14.498 3.974 1.00 20.52 H new ATOM 0 HB3 LYS A 53 11.911 -13.742 3.568 1.00 20.52 H new ATOM 0 HG2 LYS A 53 10.903 -11.509 3.791 1.00 14.54 H new ATOM 0 HG3 LYS A 53 9.333 -12.223 4.101 1.00 14.54 H new ATOM 0 HD2 LYS A 53 10.268 -13.347 6.131 1.00 34.32 H new ATOM 0 HD3 LYS A 53 11.812 -12.573 5.830 1.00 34.32 H new ATOM 0 HE2 LYS A 53 10.704 -10.339 5.992 1.00 43.33 H new ATOM 0 HE3 LYS A 53 9.180 -11.133 6.337 1.00 43.33 H new ATOM 0 HZ1 LYS A 53 10.273 -10.418 8.353 1.00 51.04 H new ATOM 0 HZ2 LYS A 53 10.171 -12.112 8.316 1.00 51.04 H new ATOM 0 HZ3 LYS A 53 11.647 -11.343 7.982 1.00 51.04 H new ATOM 856 N THR A 54 10.065 -15.751 0.869 1.00 52.35 N ATOM 857 CA THR A 54 10.467 -16.984 0.209 1.00 61.33 C ATOM 858 C THR A 54 10.000 -17.036 -1.250 1.00 3.24 C ATOM 859 O THR A 54 10.142 -18.061 -1.917 1.00 62.31 O ATOM 860 CB THR A 54 9.943 -18.225 0.963 1.00 45.32 C ATOM 861 OG1 THR A 54 8.521 -18.135 1.135 1.00 43.51 O ATOM 862 CG2 THR A 54 10.609 -18.346 2.324 1.00 71.13 C ATOM 0 H THR A 54 9.057 -15.618 0.944 1.00 52.35 H new ATOM 0 HA THR A 54 11.557 -16.995 0.221 1.00 61.33 H new ATOM 0 HB THR A 54 10.182 -19.109 0.371 1.00 45.32 H new ATOM 0 HG1 THR A 54 8.191 -17.316 0.709 1.00 43.51 H new ATOM 0 HG21 THR A 54 10.226 -19.227 2.839 1.00 71.13 H new ATOM 0 HG22 THR A 54 11.687 -18.441 2.194 1.00 71.13 H new ATOM 0 HG23 THR A 54 10.392 -17.457 2.916 1.00 71.13 H new ATOM 870 N MET A 55 9.445 -15.936 -1.744 1.00 61.44 N ATOM 871 CA MET A 55 8.997 -15.888 -3.131 1.00 35.13 C ATOM 872 C MET A 55 10.159 -15.597 -4.050 1.00 40.52 C ATOM 873 O MET A 55 10.982 -14.725 -3.769 1.00 5.24 O ATOM 874 CB MET A 55 7.897 -14.851 -3.339 1.00 10.31 C ATOM 875 CG MET A 55 6.609 -15.163 -2.605 1.00 34.23 C ATOM 876 SD MET A 55 5.228 -14.149 -3.163 1.00 74.12 S ATOM 877 CE MET A 55 5.952 -12.516 -3.057 1.00 4.13 C ATOM 0 H MET A 55 9.296 -15.077 -1.215 1.00 61.44 H new ATOM 0 HA MET A 55 8.582 -16.867 -3.371 1.00 35.13 H new ATOM 0 HB2 MET A 55 8.263 -13.878 -3.012 1.00 10.31 H new ATOM 0 HB3 MET A 55 7.685 -14.770 -4.405 1.00 10.31 H new ATOM 0 HG2 MET A 55 6.362 -16.215 -2.745 1.00 34.23 H new ATOM 0 HG3 MET A 55 6.758 -15.010 -1.536 1.00 34.23 H new ATOM 0 HE1 MET A 55 5.172 -11.786 -2.841 1.00 4.13 H new ATOM 0 HE2 MET A 55 6.696 -12.499 -2.261 1.00 4.13 H new ATOM 0 HE3 MET A 55 6.429 -12.267 -4.005 1.00 4.13 H new ATOM 887 N SER A 56 10.236 -16.333 -5.134 1.00 34.02 N ATOM 888 CA SER A 56 11.314 -16.167 -6.079 1.00 44.13 C ATOM 889 C SER A 56 10.983 -15.002 -7.018 1.00 12.15 C ATOM 890 O SER A 56 9.850 -14.504 -7.013 1.00 60.44 O ATOM 891 CB SER A 56 11.491 -17.455 -6.881 1.00 21.00 C ATOM 892 OG SER A 56 11.552 -18.584 -6.022 1.00 31.21 O ATOM 0 H SER A 56 9.561 -17.056 -5.384 1.00 34.02 H new ATOM 0 HA SER A 56 12.242 -15.950 -5.550 1.00 44.13 H new ATOM 0 HB2 SER A 56 10.662 -17.569 -7.580 1.00 21.00 H new ATOM 0 HB3 SER A 56 12.403 -17.396 -7.475 1.00 21.00 H new ATOM 0 HG SER A 56 11.664 -19.397 -6.558 1.00 31.21 H new ATOM 898 N ALA A 57 11.964 -14.569 -7.811 1.00 21.02 N ATOM 899 CA ALA A 57 11.772 -13.467 -8.771 1.00 60.50 C ATOM 900 C ALA A 57 10.515 -13.649 -9.631 1.00 74.12 C ATOM 901 O ALA A 57 9.838 -12.679 -9.964 1.00 23.45 O ATOM 902 CB ALA A 57 13.003 -13.322 -9.655 1.00 73.51 C ATOM 0 H ALA A 57 12.905 -14.963 -7.811 1.00 21.02 H new ATOM 0 HA ALA A 57 11.631 -12.555 -8.191 1.00 60.50 H new ATOM 0 HB1 ALA A 57 12.850 -12.505 -10.360 1.00 73.51 H new ATOM 0 HB2 ALA A 57 13.873 -13.108 -9.035 1.00 73.51 H new ATOM 0 HB3 ALA A 57 13.168 -14.249 -10.204 1.00 73.51 H new ATOM 908 N LYS A 58 10.209 -14.890 -9.976 1.00 3.54 N ATOM 909 CA LYS A 58 9.036 -15.203 -10.788 1.00 51.22 C ATOM 910 C LYS A 58 7.741 -14.796 -10.076 1.00 64.42 C ATOM 911 O LYS A 58 6.855 -14.175 -10.674 1.00 23.41 O ATOM 912 CB LYS A 58 9.002 -16.703 -11.106 1.00 35.10 C ATOM 913 CG LYS A 58 7.846 -17.131 -11.999 1.00 74.43 C ATOM 914 CD LYS A 58 7.941 -16.493 -13.374 1.00 33.21 C ATOM 915 CE LYS A 58 6.807 -16.945 -14.272 1.00 71.33 C ATOM 916 NZ LYS A 58 6.927 -16.382 -15.634 1.00 74.22 N ATOM 0 H LYS A 58 10.760 -15.705 -9.705 1.00 3.54 H new ATOM 0 HA LYS A 58 9.109 -14.635 -11.715 1.00 51.22 H new ATOM 0 HB2 LYS A 58 9.939 -16.981 -11.588 1.00 35.10 H new ATOM 0 HB3 LYS A 58 8.947 -17.259 -10.170 1.00 35.10 H new ATOM 0 HG2 LYS A 58 7.845 -18.216 -12.099 1.00 74.43 H new ATOM 0 HG3 LYS A 58 6.901 -16.853 -11.532 1.00 74.43 H new ATOM 0 HD2 LYS A 58 7.919 -15.408 -13.276 1.00 33.21 H new ATOM 0 HD3 LYS A 58 8.896 -16.752 -13.832 1.00 33.21 H new ATOM 0 HE2 LYS A 58 6.800 -18.034 -14.328 1.00 71.33 H new ATOM 0 HE3 LYS A 58 5.855 -16.642 -13.836 1.00 71.33 H new ATOM 0 HZ1 LYS A 58 6.133 -16.714 -16.218 1.00 74.22 H new ATOM 0 HZ2 LYS A 58 6.909 -15.343 -15.583 1.00 74.22 H new ATOM 0 HZ3 LYS A 58 7.824 -16.692 -16.060 1.00 74.22 H new ATOM 930 N GLU A 59 7.650 -15.132 -8.800 1.00 3.32 N ATOM 931 CA GLU A 59 6.453 -14.865 -8.016 1.00 35.05 C ATOM 932 C GLU A 59 6.391 -13.425 -7.542 1.00 75.44 C ATOM 933 O GLU A 59 5.318 -12.831 -7.478 1.00 33.23 O ATOM 934 CB GLU A 59 6.377 -15.810 -6.818 1.00 61.34 C ATOM 935 CG GLU A 59 6.148 -17.258 -7.198 1.00 24.21 C ATOM 936 CD GLU A 59 4.853 -17.449 -7.953 1.00 3.32 C ATOM 937 OE1 GLU A 59 4.857 -17.318 -9.185 1.00 63.54 O ATOM 938 OE2 GLU A 59 3.819 -17.731 -7.312 1.00 3.24 O ATOM 0 H GLU A 59 8.397 -15.594 -8.281 1.00 3.32 H new ATOM 0 HA GLU A 59 5.597 -15.037 -8.669 1.00 35.05 H new ATOM 0 HB2 GLU A 59 7.303 -15.735 -6.248 1.00 61.34 H new ATOM 0 HB3 GLU A 59 5.571 -15.484 -6.160 1.00 61.34 H new ATOM 0 HG2 GLU A 59 6.979 -17.608 -7.810 1.00 24.21 H new ATOM 0 HG3 GLU A 59 6.136 -17.871 -6.297 1.00 24.21 H new ATOM 945 N LYS A 60 7.542 -12.851 -7.233 1.00 11.14 N ATOM 946 CA LYS A 60 7.613 -11.504 -6.704 1.00 43.43 C ATOM 947 C LYS A 60 7.535 -10.485 -7.840 1.00 42.22 C ATOM 948 O LYS A 60 7.241 -9.304 -7.618 1.00 43.43 O ATOM 949 CB LYS A 60 8.929 -11.354 -5.937 1.00 0.10 C ATOM 950 CG LYS A 60 9.066 -10.084 -5.124 1.00 71.54 C ATOM 951 CD LYS A 60 10.396 -10.069 -4.394 1.00 51.42 C ATOM 952 CE LYS A 60 10.550 -8.846 -3.517 1.00 45.42 C ATOM 953 NZ LYS A 60 11.852 -8.843 -2.811 1.00 51.50 N ATOM 0 H LYS A 60 8.449 -13.306 -7.342 1.00 11.14 H new ATOM 0 HA LYS A 60 6.774 -11.322 -6.033 1.00 43.43 H new ATOM 0 HB2 LYS A 60 9.039 -12.207 -5.268 1.00 0.10 H new ATOM 0 HB3 LYS A 60 9.752 -11.400 -6.650 1.00 0.10 H new ATOM 0 HG2 LYS A 60 8.992 -9.215 -5.778 1.00 71.54 H new ATOM 0 HG3 LYS A 60 8.248 -10.013 -4.407 1.00 71.54 H new ATOM 0 HD2 LYS A 60 10.483 -10.967 -3.782 1.00 51.42 H new ATOM 0 HD3 LYS A 60 11.208 -10.098 -5.120 1.00 51.42 H new ATOM 0 HE2 LYS A 60 10.464 -7.947 -4.127 1.00 45.42 H new ATOM 0 HE3 LYS A 60 9.740 -8.816 -2.788 1.00 45.42 H new ATOM 0 HZ1 LYS A 60 11.924 -7.991 -2.219 1.00 51.50 H new ATOM 0 HZ2 LYS A 60 11.923 -9.689 -2.210 1.00 51.50 H new ATOM 0 HZ3 LYS A 60 12.624 -8.847 -3.507 1.00 51.50 H new ATOM 967 N GLY A 61 7.777 -10.964 -9.059 1.00 12.43 N ATOM 968 CA GLY A 61 7.757 -10.116 -10.238 1.00 50.03 C ATOM 969 C GLY A 61 6.438 -9.398 -10.437 1.00 11.42 C ATOM 970 O GLY A 61 6.394 -8.363 -11.085 1.00 71.31 O ATOM 0 H GLY A 61 7.990 -11.943 -9.251 1.00 12.43 H new ATOM 0 HA2 GLY A 61 8.556 -9.379 -10.160 1.00 50.03 H new ATOM 0 HA3 GLY A 61 7.968 -10.724 -11.118 1.00 50.03 H new ATOM 974 N LYS A 62 5.364 -9.953 -9.896 1.00 54.33 N ATOM 975 CA LYS A 62 4.051 -9.326 -9.995 1.00 14.44 C ATOM 976 C LYS A 62 4.039 -7.986 -9.276 1.00 64.33 C ATOM 977 O LYS A 62 3.718 -6.947 -9.859 1.00 65.12 O ATOM 978 CB LYS A 62 2.975 -10.232 -9.387 1.00 65.52 C ATOM 979 CG LYS A 62 2.646 -11.461 -10.211 1.00 44.31 C ATOM 980 CD LYS A 62 2.079 -11.074 -11.565 1.00 21.33 C ATOM 981 CE LYS A 62 1.500 -12.274 -12.285 1.00 23.44 C ATOM 982 NZ LYS A 62 0.294 -12.807 -11.598 1.00 54.41 N ATOM 0 H LYS A 62 5.374 -10.835 -9.384 1.00 54.33 H new ATOM 0 HA LYS A 62 3.836 -9.168 -11.052 1.00 14.44 H new ATOM 0 HB2 LYS A 62 3.304 -10.551 -8.398 1.00 65.52 H new ATOM 0 HB3 LYS A 62 2.064 -9.649 -9.248 1.00 65.52 H new ATOM 0 HG2 LYS A 62 3.545 -12.062 -10.348 1.00 44.31 H new ATOM 0 HG3 LYS A 62 1.927 -12.080 -9.675 1.00 44.31 H new ATOM 0 HD2 LYS A 62 1.305 -10.318 -11.434 1.00 21.33 H new ATOM 0 HD3 LYS A 62 2.863 -10.625 -12.175 1.00 21.33 H new ATOM 0 HE2 LYS A 62 1.242 -11.994 -13.306 1.00 23.44 H new ATOM 0 HE3 LYS A 62 2.256 -13.057 -12.351 1.00 23.44 H new ATOM 0 HZ1 LYS A 62 -0.242 -13.409 -12.255 1.00 54.41 H new ATOM 0 HZ2 LYS A 62 0.585 -13.368 -10.772 1.00 54.41 H new ATOM 0 HZ3 LYS A 62 -0.305 -12.017 -11.286 1.00 54.41 H new ATOM 996 N PHE A 63 4.421 -8.018 -8.020 1.00 14.33 N ATOM 997 CA PHE A 63 4.399 -6.843 -7.169 1.00 24.31 C ATOM 998 C PHE A 63 5.475 -5.852 -7.586 1.00 61.02 C ATOM 999 O PHE A 63 5.269 -4.643 -7.546 1.00 22.31 O ATOM 1000 CB PHE A 63 4.579 -7.273 -5.715 1.00 73.31 C ATOM 1001 CG PHE A 63 3.729 -8.462 -5.366 1.00 10.30 C ATOM 1002 CD1 PHE A 63 2.367 -8.323 -5.182 1.00 45.44 C ATOM 1003 CD2 PHE A 63 4.290 -9.724 -5.256 1.00 73.32 C ATOM 1004 CE1 PHE A 63 1.579 -9.417 -4.888 1.00 44.33 C ATOM 1005 CE2 PHE A 63 3.505 -10.822 -4.966 1.00 31.20 C ATOM 1006 CZ PHE A 63 2.148 -10.668 -4.782 1.00 60.03 C ATOM 0 H PHE A 63 4.758 -8.861 -7.555 1.00 14.33 H new ATOM 0 HA PHE A 63 3.438 -6.340 -7.274 1.00 24.31 H new ATOM 0 HB2 PHE A 63 5.627 -7.513 -5.536 1.00 73.31 H new ATOM 0 HB3 PHE A 63 4.325 -6.441 -5.058 1.00 73.31 H new ATOM 0 HD1 PHE A 63 1.914 -7.347 -5.269 1.00 45.44 H new ATOM 0 HD2 PHE A 63 5.353 -9.850 -5.399 1.00 73.32 H new ATOM 0 HE1 PHE A 63 0.516 -9.293 -4.741 1.00 44.33 H new ATOM 0 HE2 PHE A 63 3.954 -11.801 -4.883 1.00 31.20 H new ATOM 0 HZ PHE A 63 1.532 -11.525 -4.555 1.00 60.03 H new ATOM 1016 N GLU A 64 6.606 -6.380 -8.021 1.00 32.31 N ATOM 1017 CA GLU A 64 7.723 -5.563 -8.476 1.00 1.10 C ATOM 1018 C GLU A 64 7.433 -4.918 -9.830 1.00 71.12 C ATOM 1019 O GLU A 64 8.166 -4.035 -10.277 1.00 60.31 O ATOM 1020 CB GLU A 64 9.001 -6.396 -8.544 1.00 21.02 C ATOM 1021 CG GLU A 64 9.574 -6.738 -7.181 1.00 3.44 C ATOM 1022 CD GLU A 64 10.076 -5.512 -6.446 1.00 53.12 C ATOM 1023 OE1 GLU A 64 9.265 -4.823 -5.799 1.00 13.40 O ATOM 1024 OE2 GLU A 64 11.286 -5.231 -6.517 1.00 13.43 O ATOM 0 H GLU A 64 6.778 -7.384 -8.070 1.00 32.31 H new ATOM 0 HA GLU A 64 7.863 -4.761 -7.751 1.00 1.10 H new ATOM 0 HB2 GLU A 64 8.795 -7.320 -9.085 1.00 21.02 H new ATOM 0 HB3 GLU A 64 9.750 -5.851 -9.118 1.00 21.02 H new ATOM 0 HG2 GLU A 64 8.809 -7.231 -6.581 1.00 3.44 H new ATOM 0 HG3 GLU A 64 10.392 -7.448 -7.301 1.00 3.44 H new ATOM 1031 N ASP A 65 6.368 -5.362 -10.482 1.00 43.04 N ATOM 1032 CA ASP A 65 6.010 -4.833 -11.790 1.00 14.44 C ATOM 1033 C ASP A 65 4.915 -3.792 -11.651 1.00 35.12 C ATOM 1034 O ASP A 65 4.976 -2.719 -12.254 1.00 55.42 O ATOM 1035 CB ASP A 65 5.547 -5.948 -12.727 1.00 54.41 C ATOM 1036 CG ASP A 65 5.183 -5.431 -14.104 1.00 20.23 C ATOM 1037 OD1 ASP A 65 6.104 -5.187 -14.920 1.00 4.10 O ATOM 1038 OD2 ASP A 65 3.975 -5.270 -14.385 1.00 24.22 O ATOM 0 H ASP A 65 5.740 -6.084 -10.129 1.00 43.04 H new ATOM 0 HA ASP A 65 6.898 -4.369 -12.220 1.00 14.44 H new ATOM 0 HB2 ASP A 65 6.337 -6.693 -12.819 1.00 54.41 H new ATOM 0 HB3 ASP A 65 4.684 -6.451 -12.291 1.00 54.41 H new ATOM 1043 N MET A 66 3.925 -4.108 -10.821 1.00 20.13 N ATOM 1044 CA MET A 66 2.772 -3.236 -10.616 1.00 21.22 C ATOM 1045 C MET A 66 3.145 -2.004 -9.808 1.00 52.12 C ATOM 1046 O MET A 66 2.500 -0.968 -9.916 1.00 20.13 O ATOM 1047 CB MET A 66 1.642 -3.992 -9.907 1.00 54.43 C ATOM 1048 CG MET A 66 1.075 -5.159 -10.702 1.00 4.15 C ATOM 1049 SD MET A 66 -0.254 -6.021 -9.828 1.00 42.25 S ATOM 1050 CE MET A 66 0.610 -6.618 -8.374 1.00 52.40 C ATOM 0 H MET A 66 3.899 -4.969 -10.275 1.00 20.13 H new ATOM 0 HA MET A 66 2.429 -2.914 -11.599 1.00 21.22 H new ATOM 0 HB2 MET A 66 2.013 -4.364 -8.952 1.00 54.43 H new ATOM 0 HB3 MET A 66 0.836 -3.293 -9.685 1.00 54.43 H new ATOM 0 HG2 MET A 66 0.698 -4.793 -11.657 1.00 4.15 H new ATOM 0 HG3 MET A 66 1.875 -5.865 -10.924 1.00 4.15 H new ATOM 0 HE1 MET A 66 -0.008 -7.354 -7.860 1.00 52.40 H new ATOM 0 HE2 MET A 66 1.551 -7.080 -8.674 1.00 52.40 H new ATOM 0 HE3 MET A 66 0.813 -5.783 -7.703 1.00 52.40 H new ATOM 1060 N ALA A 67 4.195 -2.120 -9.007 1.00 41.25 N ATOM 1061 CA ALA A 67 4.645 -1.021 -8.159 1.00 54.04 C ATOM 1062 C ALA A 67 4.942 0.236 -8.971 1.00 30.10 C ATOM 1063 O ALA A 67 4.584 1.342 -8.570 1.00 4.50 O ATOM 1064 CB ALA A 67 5.873 -1.436 -7.366 1.00 31.24 C ATOM 0 H ALA A 67 4.755 -2.969 -8.925 1.00 41.25 H new ATOM 0 HA ALA A 67 3.835 -0.785 -7.469 1.00 54.04 H new ATOM 0 HB1 ALA A 67 6.198 -0.607 -6.738 1.00 31.24 H new ATOM 0 HB2 ALA A 67 5.628 -2.293 -6.738 1.00 31.24 H new ATOM 0 HB3 ALA A 67 6.675 -1.707 -8.053 1.00 31.24 H new ATOM 1070 N LYS A 68 5.565 0.056 -10.124 1.00 34.32 N ATOM 1071 CA LYS A 68 5.943 1.180 -10.976 1.00 5.42 C ATOM 1072 C LYS A 68 4.744 1.717 -11.753 1.00 22.22 C ATOM 1073 O LYS A 68 4.785 2.818 -12.296 1.00 63.11 O ATOM 1074 CB LYS A 68 7.047 0.759 -11.944 1.00 3.45 C ATOM 1075 CG LYS A 68 8.267 0.172 -11.261 1.00 22.41 C ATOM 1076 CD LYS A 68 9.325 -0.232 -12.269 1.00 33.04 C ATOM 1077 CE LYS A 68 10.510 -0.890 -11.587 1.00 71.53 C ATOM 1078 NZ LYS A 68 11.584 -1.229 -12.551 1.00 3.44 N ATOM 0 H LYS A 68 5.822 -0.859 -10.495 1.00 34.32 H new ATOM 0 HA LYS A 68 6.313 1.978 -10.332 1.00 5.42 H new ATOM 0 HB2 LYS A 68 6.645 0.025 -12.643 1.00 3.45 H new ATOM 0 HB3 LYS A 68 7.352 1.625 -12.532 1.00 3.45 H new ATOM 0 HG2 LYS A 68 8.684 0.902 -10.567 1.00 22.41 H new ATOM 0 HG3 LYS A 68 7.973 -0.697 -10.672 1.00 22.41 H new ATOM 0 HD2 LYS A 68 8.894 -0.919 -12.997 1.00 33.04 H new ATOM 0 HD3 LYS A 68 9.661 0.647 -12.820 1.00 33.04 H new ATOM 0 HE2 LYS A 68 10.906 -0.222 -10.822 1.00 71.53 H new ATOM 0 HE3 LYS A 68 10.179 -1.796 -11.078 1.00 71.53 H new ATOM 0 HZ1 LYS A 68 12.375 -1.676 -12.046 1.00 3.44 H new ATOM 0 HZ2 LYS A 68 11.214 -1.887 -13.266 1.00 3.44 H new ATOM 0 HZ3 LYS A 68 11.918 -0.362 -13.018 1.00 3.44 H new ATOM 1092 N ALA A 69 3.685 0.936 -11.811 1.00 24.21 N ATOM 1093 CA ALA A 69 2.485 1.338 -12.523 1.00 13.43 C ATOM 1094 C ALA A 69 1.493 2.010 -11.587 1.00 65.32 C ATOM 1095 O ALA A 69 0.666 2.815 -12.013 1.00 40.34 O ATOM 1096 CB ALA A 69 1.844 0.136 -13.200 1.00 11.50 C ATOM 0 H ALA A 69 3.629 0.016 -11.373 1.00 24.21 H new ATOM 0 HA ALA A 69 2.771 2.061 -13.287 1.00 13.43 H new ATOM 0 HB1 ALA A 69 0.946 0.453 -13.730 1.00 11.50 H new ATOM 0 HB2 ALA A 69 2.548 -0.301 -13.908 1.00 11.50 H new ATOM 0 HB3 ALA A 69 1.579 -0.607 -12.448 1.00 11.50 H new ATOM 1102 N ASP A 70 1.589 1.687 -10.306 1.00 33.41 N ATOM 1103 CA ASP A 70 0.667 2.221 -9.304 1.00 63.50 C ATOM 1104 C ASP A 70 0.954 3.687 -8.990 1.00 64.14 C ATOM 1105 O ASP A 70 0.156 4.357 -8.353 1.00 14.40 O ATOM 1106 CB ASP A 70 0.722 1.384 -8.022 1.00 72.54 C ATOM 1107 CG ASP A 70 -0.373 1.752 -7.031 1.00 64.00 C ATOM 1108 OD1 ASP A 70 -1.564 1.534 -7.353 1.00 14.31 O ATOM 1109 OD2 ASP A 70 -0.049 2.245 -5.929 1.00 72.44 O ATOM 0 H ASP A 70 2.297 1.056 -9.931 1.00 33.41 H new ATOM 0 HA ASP A 70 -0.337 2.163 -9.724 1.00 63.50 H new ATOM 0 HB2 ASP A 70 0.634 0.328 -8.279 1.00 72.54 H new ATOM 0 HB3 ASP A 70 1.695 1.517 -7.548 1.00 72.54 H new ATOM 1114 N LYS A 71 2.091 4.191 -9.461 1.00 71.43 N ATOM 1115 CA LYS A 71 2.474 5.587 -9.211 1.00 5.54 C ATOM 1116 C LYS A 71 1.438 6.573 -9.773 1.00 22.15 C ATOM 1117 O LYS A 71 1.384 7.735 -9.363 1.00 44.10 O ATOM 1118 CB LYS A 71 3.872 5.887 -9.775 1.00 41.03 C ATOM 1119 CG LYS A 71 3.980 5.846 -11.290 1.00 60.14 C ATOM 1120 CD LYS A 71 5.391 6.201 -11.737 1.00 10.31 C ATOM 1121 CE LYS A 71 5.515 6.255 -13.250 1.00 50.43 C ATOM 1122 NZ LYS A 71 4.636 7.291 -13.846 1.00 41.14 N ATOM 0 H LYS A 71 2.764 3.661 -10.015 1.00 71.43 H new ATOM 0 HA LYS A 71 2.504 5.723 -8.130 1.00 5.54 H new ATOM 0 HB2 LYS A 71 4.181 6.874 -9.431 1.00 41.03 H new ATOM 0 HB3 LYS A 71 4.577 5.169 -9.357 1.00 41.03 H new ATOM 0 HG2 LYS A 71 3.718 4.852 -11.652 1.00 60.14 H new ATOM 0 HG3 LYS A 71 3.267 6.544 -11.730 1.00 60.14 H new ATOM 0 HD2 LYS A 71 5.672 7.166 -11.316 1.00 10.31 H new ATOM 0 HD3 LYS A 71 6.092 5.465 -11.342 1.00 10.31 H new ATOM 0 HE2 LYS A 71 6.551 6.459 -13.521 1.00 50.43 H new ATOM 0 HE3 LYS A 71 5.262 5.281 -13.669 1.00 50.43 H new ATOM 0 HZ1 LYS A 71 4.850 7.387 -14.859 1.00 41.14 H new ATOM 0 HZ2 LYS A 71 3.641 7.012 -13.727 1.00 41.14 H new ATOM 0 HZ3 LYS A 71 4.800 8.201 -13.370 1.00 41.14 H new ATOM 1136 N ALA A 72 0.589 6.072 -10.660 1.00 42.42 N ATOM 1137 CA ALA A 72 -0.456 6.856 -11.320 1.00 54.20 C ATOM 1138 C ALA A 72 -1.470 7.462 -10.333 1.00 22.32 C ATOM 1139 O ALA A 72 -2.297 8.286 -10.720 1.00 63.32 O ATOM 1140 CB ALA A 72 -1.178 5.995 -12.346 1.00 34.51 C ATOM 0 H ALA A 72 0.604 5.094 -10.949 1.00 42.42 H new ATOM 0 HA ALA A 72 0.039 7.692 -11.814 1.00 54.20 H new ATOM 0 HB1 ALA A 72 -1.955 6.584 -12.834 1.00 34.51 H new ATOM 0 HB2 ALA A 72 -0.466 5.645 -13.093 1.00 34.51 H new ATOM 0 HB3 ALA A 72 -1.632 5.138 -11.847 1.00 34.51 H new ATOM 1146 N ARG A 73 -1.391 7.079 -9.064 1.00 52.12 N ATOM 1147 CA ARG A 73 -2.366 7.541 -8.086 1.00 15.11 C ATOM 1148 C ARG A 73 -1.873 8.770 -7.329 1.00 53.52 C ATOM 1149 O ARG A 73 -2.666 9.621 -6.938 1.00 55.22 O ATOM 1150 CB ARG A 73 -2.745 6.438 -7.092 1.00 25.11 C ATOM 1151 CG ARG A 73 -1.560 5.751 -6.449 1.00 12.51 C ATOM 1152 CD ARG A 73 -1.914 5.145 -5.103 1.00 35.32 C ATOM 1153 NE ARG A 73 -3.233 4.512 -5.093 1.00 21.02 N ATOM 1154 CZ ARG A 73 -3.455 3.246 -4.731 1.00 0.53 C ATOM 1155 NH1 ARG A 73 -2.440 2.406 -4.573 1.00 10.53 N ATOM 1156 NH2 ARG A 73 -4.699 2.807 -4.591 1.00 12.41 N ATOM 0 H ARG A 73 -0.672 6.458 -8.693 1.00 52.12 H new ATOM 0 HA ARG A 73 -3.256 7.817 -8.651 1.00 15.11 H new ATOM 0 HB2 ARG A 73 -3.370 6.868 -6.310 1.00 25.11 H new ATOM 0 HB3 ARG A 73 -3.348 5.691 -7.608 1.00 25.11 H new ATOM 0 HG2 ARG A 73 -1.191 4.969 -7.113 1.00 12.51 H new ATOM 0 HG3 ARG A 73 -0.750 6.469 -6.321 1.00 12.51 H new ATOM 0 HD2 ARG A 73 -1.160 4.406 -4.833 1.00 35.32 H new ATOM 0 HD3 ARG A 73 -1.884 5.923 -4.341 1.00 35.32 H new ATOM 0 HE ARG A 73 -4.034 5.074 -5.381 1.00 21.02 H new ATOM 0 HH11 ARG A 73 -1.484 2.726 -4.728 1.00 10.53 H new ATOM 0 HH12 ARG A 73 -2.616 1.440 -4.296 1.00 10.53 H new ATOM 0 HH21 ARG A 73 -5.484 3.436 -4.760 1.00 12.41 H new ATOM 0 HH22 ARG A 73 -4.871 1.840 -4.315 1.00 12.41 H new ATOM 1170 N TYR A 74 -0.568 8.874 -7.119 1.00 43.24 N ATOM 1171 CA TYR A 74 -0.045 9.999 -6.359 1.00 41.42 C ATOM 1172 C TYR A 74 0.403 11.130 -7.275 1.00 73.22 C ATOM 1173 O TYR A 74 0.373 12.293 -6.881 1.00 14.02 O ATOM 1174 CB TYR A 74 1.096 9.574 -5.406 1.00 54.10 C ATOM 1175 CG TYR A 74 2.415 9.261 -6.080 1.00 52.22 C ATOM 1176 CD1 TYR A 74 3.307 10.276 -6.411 1.00 42.52 C ATOM 1177 CD2 TYR A 74 2.773 7.960 -6.377 1.00 74.14 C ATOM 1178 CE1 TYR A 74 4.507 9.999 -7.022 1.00 62.34 C ATOM 1179 CE2 TYR A 74 3.976 7.676 -6.987 1.00 70.51 C ATOM 1180 CZ TYR A 74 4.837 8.698 -7.308 1.00 71.34 C ATOM 1181 OH TYR A 74 6.033 8.414 -7.921 1.00 41.13 O ATOM 0 H TYR A 74 0.132 8.212 -7.454 1.00 43.24 H new ATOM 0 HA TYR A 74 -0.863 10.370 -5.742 1.00 41.42 H new ATOM 0 HB2 TYR A 74 1.257 10.371 -4.680 1.00 54.10 H new ATOM 0 HB3 TYR A 74 0.774 8.695 -4.848 1.00 54.10 H new ATOM 0 HD1 TYR A 74 3.052 11.301 -6.184 1.00 42.52 H new ATOM 0 HD2 TYR A 74 2.100 7.153 -6.127 1.00 74.14 H new ATOM 0 HE1 TYR A 74 5.186 10.800 -7.275 1.00 62.34 H new ATOM 0 HE2 TYR A 74 4.241 6.654 -7.212 1.00 70.51 H new ATOM 0 HH TYR A 74 6.112 7.446 -8.051 1.00 41.13 H new ATOM 1191 N GLU A 75 0.812 10.784 -8.499 1.00 54.42 N ATOM 1192 CA GLU A 75 1.276 11.783 -9.461 1.00 43.22 C ATOM 1193 C GLU A 75 0.215 12.851 -9.675 1.00 20.14 C ATOM 1194 O GLU A 75 0.445 14.024 -9.392 1.00 34.31 O ATOM 1195 CB GLU A 75 1.651 11.123 -10.785 1.00 72.52 C ATOM 1196 CG GLU A 75 2.788 10.126 -10.668 1.00 70.40 C ATOM 1197 CD GLU A 75 3.128 9.478 -11.985 1.00 70.43 C ATOM 1198 OE1 GLU A 75 2.229 8.876 -12.606 1.00 4.41 O ATOM 1199 OE2 GLU A 75 4.301 9.554 -12.408 1.00 11.32 O ATOM 0 H GLU A 75 0.831 9.824 -8.844 1.00 54.42 H new ATOM 0 HA GLU A 75 2.167 12.262 -9.055 1.00 43.22 H new ATOM 0 HB2 GLU A 75 0.775 10.616 -11.189 1.00 72.52 H new ATOM 0 HB3 GLU A 75 1.930 11.897 -11.500 1.00 72.52 H new ATOM 0 HG2 GLU A 75 3.671 10.632 -10.277 1.00 70.40 H new ATOM 0 HG3 GLU A 75 2.517 9.355 -9.947 1.00 70.40 H new ATOM 1206 N ARG A 76 -0.939 12.437 -10.206 1.00 51.35 N ATOM 1207 CA ARG A 76 -2.114 13.313 -10.385 1.00 43.14 C ATOM 1208 C ARG A 76 -2.396 14.248 -9.189 1.00 0.41 C ATOM 1209 O ARG A 76 -2.964 15.321 -9.364 1.00 10.33 O ATOM 1210 CB ARG A 76 -3.352 12.461 -10.669 1.00 10.20 C ATOM 1211 CG ARG A 76 -3.699 11.491 -9.547 1.00 45.42 C ATOM 1212 CD ARG A 76 -4.875 10.610 -9.914 1.00 20.20 C ATOM 1213 NE ARG A 76 -5.180 9.633 -8.867 1.00 12.44 N ATOM 1214 CZ ARG A 76 -5.639 8.402 -9.106 1.00 4.52 C ATOM 1215 NH1 ARG A 76 -5.834 7.997 -10.353 1.00 21.51 N ATOM 1216 NH2 ARG A 76 -5.900 7.582 -8.100 1.00 25.54 N ATOM 0 H ARG A 76 -1.091 11.481 -10.527 1.00 51.35 H new ATOM 0 HA ARG A 76 -1.881 13.961 -11.230 1.00 43.14 H new ATOM 0 HB2 ARG A 76 -4.203 13.119 -10.844 1.00 10.20 H new ATOM 0 HB3 ARG A 76 -3.191 11.897 -11.588 1.00 10.20 H new ATOM 0 HG2 ARG A 76 -2.833 10.868 -9.323 1.00 45.42 H new ATOM 0 HG3 ARG A 76 -3.932 12.050 -8.641 1.00 45.42 H new ATOM 0 HD2 ARG A 76 -5.751 11.233 -10.094 1.00 20.20 H new ATOM 0 HD3 ARG A 76 -4.659 10.087 -10.845 1.00 20.20 H new ATOM 0 HE ARG A 76 -5.033 9.909 -7.896 1.00 12.44 H new ATOM 0 HH11 ARG A 76 -5.633 8.626 -11.131 1.00 21.51 H new ATOM 0 HH12 ARG A 76 -6.185 7.057 -10.535 1.00 21.51 H new ATOM 0 HH21 ARG A 76 -5.751 7.890 -7.139 1.00 25.54 H new ATOM 0 HH22 ARG A 76 -6.251 6.642 -8.286 1.00 25.54 H new ATOM 1230 N GLU A 77 -1.987 13.856 -7.995 1.00 4.24 N ATOM 1231 CA GLU A 77 -2.243 14.664 -6.815 1.00 21.22 C ATOM 1232 C GLU A 77 -1.064 15.583 -6.519 1.00 35.34 C ATOM 1233 O GLU A 77 -1.242 16.717 -6.080 1.00 54.54 O ATOM 1234 CB GLU A 77 -2.554 13.782 -5.610 1.00 24.44 C ATOM 1235 CG GLU A 77 -3.894 13.074 -5.708 1.00 11.51 C ATOM 1236 CD GLU A 77 -4.210 12.257 -4.481 1.00 11.04 C ATOM 1237 OE1 GLU A 77 -4.127 12.797 -3.364 1.00 61.22 O ATOM 1238 OE2 GLU A 77 -4.561 11.067 -4.625 1.00 33.44 O ATOM 0 H GLU A 77 -1.480 12.989 -7.817 1.00 4.24 H new ATOM 0 HA GLU A 77 -3.116 15.285 -7.016 1.00 21.22 H new ATOM 0 HB2 GLU A 77 -1.766 13.037 -5.502 1.00 24.44 H new ATOM 0 HB3 GLU A 77 -2.540 14.394 -4.708 1.00 24.44 H new ATOM 0 HG2 GLU A 77 -4.681 13.813 -5.860 1.00 11.51 H new ATOM 0 HG3 GLU A 77 -3.894 12.424 -6.583 1.00 11.51 H new ATOM 1245 N MET A 78 0.132 15.094 -6.779 1.00 72.13 N ATOM 1246 CA MET A 78 1.347 15.863 -6.551 1.00 34.01 C ATOM 1247 C MET A 78 1.482 16.978 -7.587 1.00 13.11 C ATOM 1248 O MET A 78 1.847 18.109 -7.258 1.00 12.44 O ATOM 1249 CB MET A 78 2.570 14.940 -6.604 1.00 31.14 C ATOM 1250 CG MET A 78 3.890 15.650 -6.373 1.00 34.12 C ATOM 1251 SD MET A 78 3.962 16.478 -4.776 1.00 31.42 S ATOM 1252 CE MET A 78 5.584 17.218 -4.871 1.00 50.23 C ATOM 0 H MET A 78 0.293 14.158 -7.152 1.00 72.13 H new ATOM 0 HA MET A 78 1.288 16.319 -5.562 1.00 34.01 H new ATOM 0 HB2 MET A 78 2.454 14.157 -5.854 1.00 31.14 H new ATOM 0 HB3 MET A 78 2.599 14.448 -7.576 1.00 31.14 H new ATOM 0 HG2 MET A 78 4.703 14.927 -6.440 1.00 34.12 H new ATOM 0 HG3 MET A 78 4.048 16.382 -7.165 1.00 34.12 H new ATOM 0 HE1 MET A 78 5.717 17.912 -4.041 1.00 50.23 H new ATOM 0 HE2 MET A 78 6.343 16.438 -4.817 1.00 50.23 H new ATOM 0 HE3 MET A 78 5.684 17.757 -5.813 1.00 50.23 H new ATOM 1262 N LYS A 79 1.168 16.647 -8.834 1.00 2.24 N ATOM 1263 CA LYS A 79 1.253 17.601 -9.947 1.00 54.33 C ATOM 1264 C LYS A 79 0.348 18.821 -9.728 1.00 74.24 C ATOM 1265 O LYS A 79 0.568 19.878 -10.312 1.00 13.22 O ATOM 1266 CB LYS A 79 0.885 16.924 -11.271 1.00 62.43 C ATOM 1267 CG LYS A 79 -0.599 16.620 -11.420 1.00 71.30 C ATOM 1268 CD LYS A 79 -0.914 16.022 -12.779 1.00 21.32 C ATOM 1269 CE LYS A 79 -2.412 15.872 -12.985 1.00 3.44 C ATOM 1270 NZ LYS A 79 -2.729 15.242 -14.287 1.00 24.20 N ATOM 0 H LYS A 79 0.849 15.718 -9.107 1.00 2.24 H new ATOM 0 HA LYS A 79 2.286 17.946 -9.989 1.00 54.33 H new ATOM 0 HB2 LYS A 79 1.198 17.566 -12.095 1.00 62.43 H new ATOM 0 HB3 LYS A 79 1.447 15.994 -11.360 1.00 62.43 H new ATOM 0 HG2 LYS A 79 -0.910 15.928 -10.637 1.00 71.30 H new ATOM 0 HG3 LYS A 79 -1.174 17.536 -11.283 1.00 71.30 H new ATOM 0 HD2 LYS A 79 -0.499 16.656 -13.562 1.00 21.32 H new ATOM 0 HD3 LYS A 79 -0.433 15.048 -12.870 1.00 21.32 H new ATOM 0 HE2 LYS A 79 -2.831 15.270 -12.179 1.00 3.44 H new ATOM 0 HE3 LYS A 79 -2.886 16.852 -12.931 1.00 3.44 H new ATOM 0 HZ1 LYS A 79 -3.760 15.157 -14.390 1.00 24.20 H new ATOM 0 HZ2 LYS A 79 -2.351 15.829 -15.058 1.00 24.20 H new ATOM 0 HZ3 LYS A 79 -2.298 14.296 -14.329 1.00 24.20 H new ATOM 1284 N THR A 80 -0.663 18.670 -8.892 1.00 0.41 N ATOM 1285 CA THR A 80 -1.597 19.748 -8.638 1.00 0.01 C ATOM 1286 C THR A 80 -1.452 20.273 -7.203 1.00 15.30 C ATOM 1287 O THR A 80 -2.221 21.126 -6.758 1.00 3.31 O ATOM 1288 CB THR A 80 -3.061 19.285 -8.897 1.00 13.11 C ATOM 1289 OG1 THR A 80 -3.966 20.394 -8.817 1.00 21.43 O ATOM 1290 CG2 THR A 80 -3.482 18.218 -7.899 1.00 55.33 C ATOM 0 H THR A 80 -0.857 17.811 -8.378 1.00 0.41 H new ATOM 0 HA THR A 80 -1.364 20.560 -9.327 1.00 0.01 H new ATOM 0 HB THR A 80 -3.098 18.863 -9.901 1.00 13.11 H new ATOM 0 HG1 THR A 80 -3.661 21.016 -8.123 1.00 21.43 H new ATOM 0 HG21 THR A 80 -4.508 17.913 -8.103 1.00 55.33 H new ATOM 0 HG22 THR A 80 -2.822 17.355 -7.989 1.00 55.33 H new ATOM 0 HG23 THR A 80 -3.417 18.620 -6.888 1.00 55.33 H new ATOM 1298 N TYR A 81 -0.448 19.780 -6.497 1.00 40.10 N ATOM 1299 CA TYR A 81 -0.229 20.184 -5.120 1.00 44.04 C ATOM 1300 C TYR A 81 0.768 21.331 -5.045 1.00 51.41 C ATOM 1301 O TYR A 81 1.754 21.360 -5.784 1.00 3.11 O ATOM 1302 CB TYR A 81 0.264 18.998 -4.278 1.00 70.05 C ATOM 1303 CG TYR A 81 0.413 19.319 -2.807 1.00 0.41 C ATOM 1304 CD1 TYR A 81 -0.698 19.375 -1.977 1.00 50.24 C ATOM 1305 CD2 TYR A 81 1.661 19.580 -2.250 1.00 34.33 C ATOM 1306 CE1 TYR A 81 -0.573 19.679 -0.638 1.00 10.40 C ATOM 1307 CE2 TYR A 81 1.792 19.885 -0.908 1.00 44.42 C ATOM 1308 CZ TYR A 81 0.670 19.934 -0.108 1.00 33.12 C ATOM 1309 OH TYR A 81 0.793 20.235 1.233 1.00 24.31 O ATOM 0 H TYR A 81 0.225 19.102 -6.854 1.00 40.10 H new ATOM 0 HA TYR A 81 -1.181 20.526 -4.715 1.00 44.04 H new ATOM 0 HB2 TYR A 81 -0.434 18.168 -4.391 1.00 70.05 H new ATOM 0 HB3 TYR A 81 1.225 18.662 -4.667 1.00 70.05 H new ATOM 0 HD1 TYR A 81 -1.677 19.177 -2.387 1.00 50.24 H new ATOM 0 HD2 TYR A 81 2.541 19.544 -2.876 1.00 34.33 H new ATOM 0 HE1 TYR A 81 -1.449 19.717 -0.007 1.00 10.40 H new ATOM 0 HE2 TYR A 81 2.767 20.084 -0.489 1.00 44.42 H new ATOM 0 HH TYR A 81 1.737 20.387 1.449 1.00 24.31 H new ATOM 1319 N ILE A 82 0.499 22.275 -4.165 1.00 32.44 N ATOM 1320 CA ILE A 82 1.381 23.407 -3.955 1.00 72.52 C ATOM 1321 C ILE A 82 2.176 23.208 -2.662 1.00 53.02 C ATOM 1322 O ILE A 82 1.591 23.075 -1.582 1.00 30.53 O ATOM 1323 CB ILE A 82 0.582 24.737 -3.873 1.00 41.31 C ATOM 1324 CG1 ILE A 82 -0.227 24.965 -5.161 1.00 42.10 C ATOM 1325 CG2 ILE A 82 1.513 25.918 -3.607 1.00 4.02 C ATOM 1326 CD1 ILE A 82 0.617 25.055 -6.420 1.00 44.24 C ATOM 0 H ILE A 82 -0.334 22.280 -3.577 1.00 32.44 H new ATOM 0 HA ILE A 82 2.062 23.468 -4.804 1.00 72.52 H new ATOM 0 HB ILE A 82 -0.115 24.661 -3.038 1.00 41.31 H new ATOM 0 HG12 ILE A 82 -0.944 24.152 -5.275 1.00 42.10 H new ATOM 0 HG13 ILE A 82 -0.803 25.885 -5.057 1.00 42.10 H new ATOM 0 HG21 ILE A 82 0.929 26.837 -3.554 1.00 4.02 H new ATOM 0 HG22 ILE A 82 2.035 25.765 -2.662 1.00 4.02 H new ATOM 0 HG23 ILE A 82 2.241 25.997 -4.415 1.00 4.02 H new ATOM 0 HD11 ILE A 82 -0.031 25.216 -7.282 1.00 44.24 H new ATOM 0 HD12 ILE A 82 1.316 25.887 -6.331 1.00 44.24 H new ATOM 0 HD13 ILE A 82 1.173 24.127 -6.553 1.00 44.24 H new ATOM 1338 N PRO A 83 3.513 23.164 -2.759 1.00 24.12 N ATOM 1339 CA PRO A 83 4.386 22.952 -1.598 1.00 52.24 C ATOM 1340 C PRO A 83 4.319 24.108 -0.586 1.00 23.41 C ATOM 1341 O PRO A 83 4.553 25.271 -0.935 1.00 73.14 O ATOM 1342 CB PRO A 83 5.789 22.854 -2.209 1.00 1.13 C ATOM 1343 CG PRO A 83 5.682 23.546 -3.524 1.00 44.33 C ATOM 1344 CD PRO A 83 4.282 23.315 -4.007 1.00 60.34 C ATOM 0 HA PRO A 83 4.092 22.067 -1.033 1.00 52.24 H new ATOM 0 HB2 PRO A 83 6.532 23.331 -1.571 1.00 1.13 H new ATOM 0 HB3 PRO A 83 6.095 21.815 -2.333 1.00 1.13 H new ATOM 0 HG2 PRO A 83 5.887 24.612 -3.421 1.00 44.33 H new ATOM 0 HG3 PRO A 83 6.409 23.149 -4.233 1.00 44.33 H new ATOM 0 HD2 PRO A 83 3.919 24.152 -4.604 1.00 60.34 H new ATOM 0 HD3 PRO A 83 4.214 22.424 -4.632 1.00 60.34 H new