USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 568 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 68 CYS SG : rot -164:sc= 0.0463 USER MOD Set 1.2: A 71 CYS SG : rot -90:sc= -0.742 USER MOD Set 1.3: A 84 HIS :FLIP no HD1:sc= -1.35 F(o=-1.9!,f=-1.3) USER MOD Set 1.4: A 88 CYS SG : rot -37:sc= 0.75 USER MOD Set 2.1: A 51 HIS : no HE2:sc= -6.45! C(o=-8.2!,f=-13!) USER MOD Set 2.2: A 52 HIS : no HD1:sc= -1.78 K(o=-8.2,f=-10) USER MOD Set 3.1: A 40 CYS SG : rot 170:sc= -2.76 USER MOD Set 3.2: A 43 CYS SG : rot -66:sc= -1.25 USER MOD Set 3.3: A 56 HIS : no HE2:sc= -3.17 K(o=-15,f=-16) USER MOD Set 3.4: A 57 MET CE :methyl 172:sc= -5.08! (180deg=-3.05!) USER MOD Set 3.5: A 60 HIS : no HD1:sc= -3.13 K(o=-15,f=-17) USER MOD Set 4.1: A 13 CYS SG : rot 93:sc= -0.0662 USER MOD Set 4.2: A 15 CYS SG : rot -65:sc= -1.58! USER MOD Set 4.3: A 17 LYS NZ :NH3+ -146:sc= 0.0167 (180deg=0) USER MOD Set 4.4: A 28 HIS :FLIP no HE2:sc= -0.346 F(o=-5.5,f=-4) USER MOD Set 4.5: A 31 MET CE :methyl -150:sc= 0 (180deg=-0.139) USER MOD Set 4.6: A 32 HIS : no HD1:sc= -2.05 X(o=-4,f=-4.1) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 26:sc= 0.42 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc=-0.00174 X(o=-0.0017,f=-0.11) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.072) USER MOD Single : A 29 MET CE :methyl 132:sc= -0.224 (180deg=-1.95) USER MOD Single : A 30 SER OG : rot -50:sc= 0.27 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -147:sc= -0.143 (180deg=-1.09) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -155:sc= 0.209 (180deg=-0.734) USER MOD Single : A 76 MET CE :methyl -171:sc= 0 (180deg=-0.0901) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 86 THR OG1 : rot 86:sc= 1.18 USER MOD Single : A 87 SER OG : rot -23:sc= 0.561 USER MOD Single : A 89 THR OG1 : rot 64:sc= 1 USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.452) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 119 N TYR A 11 1.832 7.214 16.951 1.00 0.00 N ATOM 120 CA TYR A 11 3.239 6.832 16.991 1.00 0.00 C ATOM 121 C TYR A 11 3.840 6.818 15.589 1.00 0.00 C ATOM 122 O TYR A 11 3.691 5.859 14.832 1.00 0.00 O ATOM 123 CB TYR A 11 3.397 5.456 17.640 1.00 0.00 C ATOM 124 CG TYR A 11 2.587 5.286 18.906 1.00 0.00 C ATOM 125 CD1 TYR A 11 2.212 6.387 19.666 1.00 0.00 C ATOM 126 CD2 TYR A 11 2.199 4.026 19.342 1.00 0.00 C ATOM 127 CE1 TYR A 11 1.473 6.237 20.823 1.00 0.00 C ATOM 128 CE2 TYR A 11 1.458 3.866 20.497 1.00 0.00 C ATOM 129 CZ TYR A 11 1.098 4.975 21.234 1.00 0.00 C ATOM 130 OH TYR A 11 0.361 4.820 22.386 1.00 0.00 O ATOM 0 HA TYR A 11 3.773 7.571 17.588 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.101 4.690 16.924 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.450 5.290 17.867 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.503 7.377 19.347 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.481 3.156 18.768 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.190 7.103 21.403 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.163 2.879 20.821 1.00 0.00 H new ATOM 0 HH TYR A 11 0.179 3.868 22.533 1.00 0.00 H new ATOM 140 N PRO A 12 4.537 7.908 15.235 1.00 0.00 N ATOM 141 CA PRO A 12 5.177 8.046 13.923 1.00 0.00 C ATOM 142 C PRO A 12 6.368 7.109 13.757 1.00 0.00 C ATOM 143 O PRO A 12 7.166 6.934 14.679 1.00 0.00 O ATOM 144 CB PRO A 12 5.637 9.506 13.905 1.00 0.00 C ATOM 145 CG PRO A 12 5.801 9.869 15.340 1.00 0.00 C ATOM 146 CD PRO A 12 4.755 9.088 16.087 1.00 0.00 C ATOM 0 HA PRO A 12 4.499 7.789 13.109 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.573 9.619 13.358 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.903 10.146 13.416 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.801 9.619 15.694 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.668 10.941 15.489 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.098 8.807 17.083 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.839 9.665 16.217 1.00 0.00 H new ATOM 154 N CYS A 13 6.484 6.510 12.577 1.00 0.00 N ATOM 155 CA CYS A 13 7.579 5.590 12.290 1.00 0.00 C ATOM 156 C CYS A 13 8.704 6.301 11.542 1.00 0.00 C ATOM 157 O CYS A 13 8.494 7.354 10.942 1.00 0.00 O ATOM 158 CB CYS A 13 7.074 4.404 11.466 1.00 0.00 C ATOM 159 SG CYS A 13 8.290 3.063 11.271 1.00 0.00 S ATOM 0 H CYS A 13 5.833 6.645 11.803 1.00 0.00 H new ATOM 0 HA CYS A 13 7.971 5.224 13.239 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.178 4.002 11.939 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.780 4.760 10.479 1.00 0.00 H new ATOM 0 HG CYS A 13 8.114 2.178 12.207 1.00 0.00 H new ATOM 164 N GLN A 14 9.896 5.715 11.584 1.00 0.00 N ATOM 165 CA GLN A 14 11.054 6.292 10.911 1.00 0.00 C ATOM 166 C GLN A 14 10.727 6.632 9.460 1.00 0.00 C ATOM 167 O GLN A 14 11.110 7.688 8.957 1.00 0.00 O ATOM 168 CB GLN A 14 12.238 5.325 10.967 1.00 0.00 C ATOM 169 CG GLN A 14 13.541 5.929 10.469 1.00 0.00 C ATOM 170 CD GLN A 14 14.474 4.893 9.874 1.00 0.00 C ATOM 171 OE1 GLN A 14 14.885 5.002 8.719 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.814 3.880 10.663 1.00 0.00 N ATOM 0 H GLN A 14 10.085 4.842 12.076 1.00 0.00 H new ATOM 0 HA GLN A 14 11.322 7.213 11.429 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.373 4.988 11.995 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.005 4.443 10.370 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.322 6.689 9.719 1.00 0.00 H new ATOM 0 HG3 GLN A 14 14.043 6.433 11.295 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.449 3.830 11.614 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.440 3.152 10.318 1.00 0.00 H new ATOM 181 N CYS A 15 10.018 5.728 8.792 1.00 0.00 N ATOM 182 CA CYS A 15 9.640 5.930 7.399 1.00 0.00 C ATOM 183 C CYS A 15 8.790 7.188 7.242 1.00 0.00 C ATOM 184 O CYS A 15 8.883 7.892 6.238 1.00 0.00 O ATOM 185 CB CYS A 15 8.873 4.714 6.875 1.00 0.00 C ATOM 186 SG CYS A 15 7.460 4.222 7.915 1.00 0.00 S ATOM 0 H CYS A 15 9.694 4.848 9.193 1.00 0.00 H new ATOM 0 HA CYS A 15 10.552 6.055 6.816 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.512 4.931 5.870 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.560 3.872 6.792 1.00 0.00 H new ATOM 0 HG CYS A 15 7.892 3.831 9.077 1.00 0.00 H new ATOM 191 N GLY A 16 7.960 7.463 8.245 1.00 0.00 N ATOM 192 CA GLY A 16 7.106 8.635 8.200 1.00 0.00 C ATOM 193 C GLY A 16 5.667 8.318 8.556 1.00 0.00 C ATOM 194 O GLY A 16 4.896 9.210 8.911 1.00 0.00 O ATOM 0 H GLY A 16 7.865 6.895 9.087 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.490 9.387 8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.143 9.069 7.201 1.00 0.00 H new ATOM 198 N LYS A 17 5.303 7.043 8.462 1.00 0.00 N ATOM 199 CA LYS A 17 3.947 6.609 8.777 1.00 0.00 C ATOM 200 C LYS A 17 3.626 6.851 10.248 1.00 0.00 C ATOM 201 O LYS A 17 4.434 7.417 10.984 1.00 0.00 O ATOM 202 CB LYS A 17 3.774 5.126 8.443 1.00 0.00 C ATOM 203 CG LYS A 17 3.329 4.871 7.014 1.00 0.00 C ATOM 204 CD LYS A 17 3.441 3.401 6.648 1.00 0.00 C ATOM 205 CE LYS A 17 4.767 3.096 5.967 1.00 0.00 C ATOM 206 NZ LYS A 17 4.705 1.839 5.170 1.00 0.00 N ATOM 0 H LYS A 17 5.929 6.292 8.170 1.00 0.00 H new ATOM 0 HA LYS A 17 3.255 7.194 8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.718 4.611 8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.043 4.692 9.125 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.297 5.200 6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.938 5.464 6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.344 2.793 7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.619 3.126 5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.040 3.926 5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.551 3.011 6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.627 1.359 5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.974 1.214 5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.471 2.065 4.182 1.00 0.00 H new ATOM 220 N SER A 18 2.443 6.417 10.670 1.00 0.00 N ATOM 221 CA SER A 18 2.015 6.589 12.053 1.00 0.00 C ATOM 222 C SER A 18 1.044 5.486 12.463 1.00 0.00 C ATOM 223 O SER A 18 0.038 5.248 11.793 1.00 0.00 O ATOM 224 CB SER A 18 1.357 7.958 12.240 1.00 0.00 C ATOM 225 OG SER A 18 0.168 8.061 11.475 1.00 0.00 O ATOM 0 H SER A 18 1.764 5.944 10.074 1.00 0.00 H new ATOM 0 HA SER A 18 2.897 6.528 12.690 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.130 8.115 13.294 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.053 8.743 11.944 1.00 0.00 H new ATOM 0 HG SER A 18 -0.204 7.167 11.327 1.00 0.00 H new ATOM 231 N PHE A 19 1.353 4.814 13.567 1.00 0.00 N ATOM 232 CA PHE A 19 0.509 3.735 14.066 1.00 0.00 C ATOM 233 C PHE A 19 -0.083 4.092 15.427 1.00 0.00 C ATOM 234 O PHE A 19 0.452 4.934 16.148 1.00 0.00 O ATOM 235 CB PHE A 19 1.313 2.438 14.173 1.00 0.00 C ATOM 236 CG PHE A 19 2.084 2.106 12.926 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.087 2.947 12.472 1.00 0.00 C ATOM 238 CD2 PHE A 19 1.805 0.954 12.210 1.00 0.00 C ATOM 239 CE1 PHE A 19 3.796 2.645 11.325 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.512 0.646 11.062 1.00 0.00 C ATOM 241 CZ PHE A 19 3.509 1.492 10.620 1.00 0.00 C ATOM 0 H PHE A 19 2.181 4.998 14.133 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.309 3.591 13.360 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.007 2.518 15.009 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.634 1.616 14.400 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.317 3.848 13.020 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.026 0.288 12.552 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.574 3.310 10.980 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.284 -0.255 10.512 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.064 1.253 9.725 1.00 0.00 H new ATOM 251 N THR A 20 -1.193 3.446 15.771 1.00 0.00 N ATOM 252 CA THR A 20 -1.860 3.695 17.042 1.00 0.00 C ATOM 253 C THR A 20 -1.224 2.883 18.165 1.00 0.00 C ATOM 254 O THR A 20 -1.388 3.200 19.344 1.00 0.00 O ATOM 255 CB THR A 20 -3.360 3.357 16.965 1.00 0.00 C ATOM 256 OG1 THR A 20 -3.984 4.126 15.931 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.046 3.635 18.294 1.00 0.00 C ATOM 0 H THR A 20 -1.649 2.746 15.186 1.00 0.00 H new ATOM 0 HA THR A 20 -1.746 4.758 17.256 1.00 0.00 H new ATOM 0 HB THR A 20 -3.459 2.296 16.737 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.937 3.903 15.888 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.105 3.389 18.215 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.589 3.026 19.074 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.937 4.690 18.546 1.00 0.00 H new ATOM 265 N HIS A 21 -0.497 1.835 17.792 1.00 0.00 N ATOM 266 CA HIS A 21 0.165 0.977 18.769 1.00 0.00 C ATOM 267 C HIS A 21 1.668 0.921 18.513 1.00 0.00 C ATOM 268 O HIS A 21 2.109 0.744 17.377 1.00 0.00 O ATOM 269 CB HIS A 21 -0.425 -0.433 18.724 1.00 0.00 C ATOM 270 CG HIS A 21 -1.759 -0.546 19.396 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.972 -0.187 20.710 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.952 -0.979 18.927 1.00 0.00 C ATOM 273 CE1 HIS A 21 -3.239 -0.397 21.021 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.856 -0.876 19.956 1.00 0.00 N ATOM 0 H HIS A 21 -0.351 1.559 16.821 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.001 1.401 19.759 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.524 -0.744 17.684 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.271 -1.125 19.198 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.156 -1.339 17.929 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.693 -0.209 21.983 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.843 -1.128 19.906 1.00 0.00 H new ATOM 282 N LYS A 22 2.450 1.074 19.576 1.00 0.00 N ATOM 283 CA LYS A 22 3.904 1.041 19.467 1.00 0.00 C ATOM 284 C LYS A 22 4.379 -0.309 18.938 1.00 0.00 C ATOM 285 O LYS A 22 5.388 -0.391 18.237 1.00 0.00 O ATOM 286 CB LYS A 22 4.544 1.320 20.829 1.00 0.00 C ATOM 287 CG LYS A 22 3.762 0.748 21.998 1.00 0.00 C ATOM 288 CD LYS A 22 2.865 1.795 22.636 1.00 0.00 C ATOM 289 CE LYS A 22 2.818 1.642 24.148 1.00 0.00 C ATOM 290 NZ LYS A 22 3.942 2.356 24.814 1.00 0.00 N ATOM 0 H LYS A 22 2.101 1.222 20.523 1.00 0.00 H new ATOM 0 HA LYS A 22 4.209 1.815 18.763 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.552 0.905 20.839 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.642 2.398 20.961 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.156 -0.091 21.656 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.455 0.358 22.744 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.228 2.791 22.381 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.857 1.709 22.229 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.870 2.028 24.523 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.856 0.584 24.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.874 2.227 25.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.847 1.971 24.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.892 3.370 24.588 1.00 0.00 H new ATOM 304 N SER A 23 3.645 -1.364 19.277 1.00 0.00 N ATOM 305 CA SER A 23 3.993 -2.710 18.837 1.00 0.00 C ATOM 306 C SER A 23 3.942 -2.815 17.316 1.00 0.00 C ATOM 307 O SER A 23 4.621 -3.650 16.719 1.00 0.00 O ATOM 308 CB SER A 23 3.045 -3.735 19.463 1.00 0.00 C ATOM 309 OG SER A 23 3.656 -5.011 19.546 1.00 0.00 O ATOM 0 H SER A 23 2.806 -1.313 19.855 1.00 0.00 H new ATOM 0 HA SER A 23 5.011 -2.921 19.164 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.752 -3.403 20.459 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.134 -3.803 18.869 1.00 0.00 H new ATOM 0 HG SER A 23 3.030 -5.648 19.951 1.00 0.00 H new ATOM 315 N GLN A 24 3.133 -1.962 16.697 1.00 0.00 N ATOM 316 CA GLN A 24 2.992 -1.959 15.246 1.00 0.00 C ATOM 317 C GLN A 24 3.984 -0.994 14.605 1.00 0.00 C ATOM 318 O GLN A 24 4.486 -1.243 13.509 1.00 0.00 O ATOM 319 CB GLN A 24 1.564 -1.578 14.851 1.00 0.00 C ATOM 320 CG GLN A 24 0.618 -2.765 14.770 1.00 0.00 C ATOM 321 CD GLN A 24 0.897 -3.654 13.574 1.00 0.00 C ATOM 322 OE1 GLN A 24 1.111 -4.858 13.717 1.00 0.00 O ATOM 323 NE2 GLN A 24 0.898 -3.063 12.385 1.00 0.00 N ATOM 0 H GLN A 24 2.565 -1.264 17.177 1.00 0.00 H new ATOM 0 HA GLN A 24 3.205 -2.965 14.884 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.174 -0.862 15.575 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.585 -1.074 13.885 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.702 -3.354 15.683 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.409 -2.403 14.717 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.716 -2.062 12.313 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.081 -3.610 11.544 1.00 0.00 H new ATOM 332 N ARG A 25 4.261 0.107 15.295 1.00 0.00 N ATOM 333 CA ARG A 25 5.191 1.111 14.792 1.00 0.00 C ATOM 334 C ARG A 25 6.634 0.638 14.943 1.00 0.00 C ATOM 335 O ARG A 25 7.492 0.955 14.118 1.00 0.00 O ATOM 336 CB ARG A 25 4.997 2.435 15.533 1.00 0.00 C ATOM 337 CG ARG A 25 5.987 3.513 15.124 1.00 0.00 C ATOM 338 CD ARG A 25 7.236 3.480 15.990 1.00 0.00 C ATOM 339 NE ARG A 25 6.952 3.843 17.375 1.00 0.00 N ATOM 340 CZ ARG A 25 7.862 4.337 18.207 1.00 0.00 C ATOM 341 NH1 ARG A 25 9.109 4.525 17.796 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.527 4.644 19.454 1.00 0.00 N ATOM 0 H ARG A 25 3.855 0.327 16.204 1.00 0.00 H new ATOM 0 HA ARG A 25 4.985 1.263 13.733 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.984 2.797 15.354 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.087 2.258 16.605 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.264 3.376 14.079 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.514 4.492 15.203 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.672 2.481 15.959 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.979 4.165 15.581 1.00 0.00 H new ATOM 0 HE ARG A 25 6.002 3.710 17.723 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.371 4.290 16.839 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.806 4.905 18.437 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.569 4.501 19.775 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.227 5.023 20.092 1.00 0.00 H new ATOM 356 N ASP A 26 6.895 -0.121 16.002 1.00 0.00 N ATOM 357 CA ASP A 26 8.234 -0.638 16.261 1.00 0.00 C ATOM 358 C ASP A 26 8.606 -1.716 15.248 1.00 0.00 C ATOM 359 O ASP A 26 9.668 -1.659 14.628 1.00 0.00 O ATOM 360 CB ASP A 26 8.319 -1.203 17.680 1.00 0.00 C ATOM 361 CG ASP A 26 9.580 -2.014 17.905 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.608 -1.418 18.288 1.00 0.00 O ATOM 363 OD2 ASP A 26 9.538 -3.245 17.697 1.00 0.00 O ATOM 0 H ASP A 26 6.197 -0.392 16.695 1.00 0.00 H new ATOM 0 HA ASP A 26 8.941 0.186 16.163 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.285 -0.383 18.397 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.448 -1.830 17.871 1.00 0.00 H new ATOM 368 N ARG A 27 7.725 -2.697 15.086 1.00 0.00 N ATOM 369 CA ARG A 27 7.962 -3.790 14.150 1.00 0.00 C ATOM 370 C ARG A 27 8.267 -3.253 12.754 1.00 0.00 C ATOM 371 O ARG A 27 9.057 -3.838 12.012 1.00 0.00 O ATOM 372 CB ARG A 27 6.746 -4.717 14.096 1.00 0.00 C ATOM 373 CG ARG A 27 5.568 -4.133 13.333 1.00 0.00 C ATOM 374 CD ARG A 27 4.486 -5.175 13.096 1.00 0.00 C ATOM 375 NE ARG A 27 4.153 -5.906 14.316 1.00 0.00 N ATOM 376 CZ ARG A 27 4.748 -7.037 14.680 1.00 0.00 C ATOM 377 NH1 ARG A 27 5.700 -7.563 13.923 1.00 0.00 N ATOM 378 NH2 ARG A 27 4.390 -7.643 15.805 1.00 0.00 N ATOM 0 H ARG A 27 6.841 -2.758 15.590 1.00 0.00 H new ATOM 0 HA ARG A 27 8.826 -4.355 14.501 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.038 -5.659 13.631 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.430 -4.948 15.113 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.151 -3.295 13.891 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.912 -3.740 12.376 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.591 -4.687 12.710 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.820 -5.877 12.332 1.00 0.00 H new ATOM 0 HE ARG A 27 3.424 -5.528 14.921 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.978 -7.100 13.058 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.155 -8.431 14.205 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.658 -7.241 16.390 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.847 -8.511 16.084 1.00 0.00 H new ATOM 392 N HIS A 28 7.637 -2.137 12.404 1.00 0.00 N ATOM 393 CA HIS A 28 7.841 -1.521 11.098 1.00 0.00 C ATOM 394 C HIS A 28 9.181 -0.793 11.044 1.00 0.00 C ATOM 395 O HIS A 28 9.764 -0.625 9.973 1.00 0.00 O ATOM 396 CB HIS A 28 6.705 -0.546 10.786 1.00 0.00 C ATOM 397 CG HIS A 28 6.504 -0.309 9.321 1.00 0.00 C ATOM 398 ND1 HIS A 28 5.942 -1.088 8.368 1.00 0.00 N flip ATOM 399 CD2 HIS A 28 6.903 0.846 8.683 1.00 0.00 C flip ATOM 400 CE1 HIS A 28 6.011 -0.396 7.184 1.00 0.00 C flip ATOM 401 NE2 HIS A 28 6.595 0.768 7.401 1.00 0.00 N flip ATOM 0 H HIS A 28 6.981 -1.640 13.007 1.00 0.00 H new ATOM 0 HA HIS A 28 7.846 -2.312 10.348 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.779 -0.931 11.214 1.00 0.00 H new ATOM 0 HB3 HIS A 28 6.910 0.406 11.275 1.00 0.00 H new ATOM 0 HD1 HIS A 28 5.542 -2.016 8.504 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.391 1.684 9.158 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.647 -0.747 6.230 1.00 0.00 H new ATOM 409 N MET A 29 9.663 -0.363 12.206 1.00 0.00 N ATOM 410 CA MET A 29 10.934 0.346 12.290 1.00 0.00 C ATOM 411 C MET A 29 12.102 -0.597 12.017 1.00 0.00 C ATOM 412 O MET A 29 12.946 -0.323 11.165 1.00 0.00 O ATOM 413 CB MET A 29 11.094 0.988 13.669 1.00 0.00 C ATOM 414 CG MET A 29 10.526 2.396 13.754 1.00 0.00 C ATOM 415 SD MET A 29 11.252 3.358 15.095 1.00 0.00 S ATOM 416 CE MET A 29 12.958 3.453 14.559 1.00 0.00 C ATOM 0 H MET A 29 9.193 -0.493 13.102 1.00 0.00 H new ATOM 0 HA MET A 29 10.936 1.128 11.531 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.601 0.361 14.412 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.153 1.016 13.927 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.698 2.911 12.809 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.447 2.340 13.895 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.305 4.484 14.632 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.575 2.816 15.193 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.034 3.117 13.525 1.00 0.00 H new ATOM 426 N SER A 30 12.143 -1.707 12.747 1.00 0.00 N ATOM 427 CA SER A 30 13.210 -2.688 12.586 1.00 0.00 C ATOM 428 C SER A 30 13.461 -2.981 11.110 1.00 0.00 C ATOM 429 O SER A 30 14.606 -3.082 10.672 1.00 0.00 O ATOM 430 CB SER A 30 12.856 -3.983 13.321 1.00 0.00 C ATOM 431 OG SER A 30 11.637 -4.524 12.842 1.00 0.00 O ATOM 0 H SER A 30 11.450 -1.949 13.455 1.00 0.00 H new ATOM 0 HA SER A 30 14.121 -2.271 13.016 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.657 -4.710 13.189 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.776 -3.788 14.390 1.00 0.00 H new ATOM 0 HG SER A 30 10.951 -3.824 12.829 1.00 0.00 H new ATOM 437 N MET A 31 12.380 -3.115 10.348 1.00 0.00 N ATOM 438 CA MET A 31 12.483 -3.395 8.920 1.00 0.00 C ATOM 439 C MET A 31 13.468 -2.444 8.249 1.00 0.00 C ATOM 440 O MET A 31 14.333 -2.869 7.482 1.00 0.00 O ATOM 441 CB MET A 31 11.109 -3.277 8.256 1.00 0.00 C ATOM 442 CG MET A 31 10.079 -4.246 8.813 1.00 0.00 C ATOM 443 SD MET A 31 8.856 -4.741 7.585 1.00 0.00 S ATOM 444 CE MET A 31 8.191 -3.148 7.108 1.00 0.00 C ATOM 0 H MET A 31 11.424 -3.034 10.695 1.00 0.00 H new ATOM 0 HA MET A 31 12.851 -4.414 8.800 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.741 -2.258 8.379 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.216 -3.450 7.185 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.588 -5.133 9.192 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.572 -3.784 9.660 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.149 -3.263 6.809 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.252 -2.461 7.952 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.766 -2.749 6.273 1.00 0.00 H new ATOM 454 N HIS A 32 13.333 -1.154 8.542 1.00 0.00 N ATOM 455 CA HIS A 32 14.212 -0.143 7.967 1.00 0.00 C ATOM 456 C HIS A 32 15.663 -0.396 8.363 1.00 0.00 C ATOM 457 O HIS A 32 16.560 -0.386 7.518 1.00 0.00 O ATOM 458 CB HIS A 32 13.783 1.253 8.419 1.00 0.00 C ATOM 459 CG HIS A 32 12.320 1.518 8.241 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.625 1.169 7.102 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.418 2.099 9.067 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.360 1.526 7.234 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.208 2.092 8.418 1.00 0.00 N ATOM 0 H HIS A 32 12.623 -0.785 9.174 1.00 0.00 H new ATOM 0 HA HIS A 32 14.135 -0.204 6.881 1.00 0.00 H new ATOM 0 HB2 HIS A 32 14.042 1.381 9.470 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.349 1.997 7.859 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.614 2.494 10.053 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.582 1.380 6.499 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.334 2.463 8.790 1.00 0.00 H new ATOM 582 N CYS A 40 28.974 5.228 0.384 1.00 0.00 N ATOM 583 CA CYS A 40 29.555 6.186 -0.549 1.00 0.00 C ATOM 584 C CYS A 40 28.673 7.425 -0.676 1.00 0.00 C ATOM 585 O CYS A 40 27.630 7.394 -1.328 1.00 0.00 O ATOM 586 CB CYS A 40 29.746 5.540 -1.923 1.00 0.00 C ATOM 587 SG CYS A 40 30.250 6.705 -3.229 1.00 0.00 S ATOM 0 HA CYS A 40 30.526 6.491 -0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 40 30.497 4.755 -1.842 1.00 0.00 H new ATOM 0 HB3 CYS A 40 28.814 5.060 -2.220 1.00 0.00 H new ATOM 0 HG CYS A 40 30.597 6.042 -4.292 1.00 0.00 H new ATOM 592 N GLY A 41 29.100 8.516 -0.047 1.00 0.00 N ATOM 593 CA GLY A 41 28.339 9.750 -0.101 1.00 0.00 C ATOM 594 C GLY A 41 28.564 10.514 -1.391 1.00 0.00 C ATOM 595 O GLY A 41 28.593 11.745 -1.395 1.00 0.00 O ATOM 0 H GLY A 41 29.960 8.567 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 41 27.278 9.524 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 41 28.615 10.381 0.744 1.00 0.00 H new ATOM 599 N VAL A 42 28.727 9.783 -2.489 1.00 0.00 N ATOM 600 CA VAL A 42 28.952 10.400 -3.791 1.00 0.00 C ATOM 601 C VAL A 42 27.944 9.898 -4.819 1.00 0.00 C ATOM 602 O VAL A 42 27.397 10.677 -5.600 1.00 0.00 O ATOM 603 CB VAL A 42 30.376 10.119 -4.306 1.00 0.00 C ATOM 604 CG1 VAL A 42 30.600 10.792 -5.652 1.00 0.00 C ATOM 605 CG2 VAL A 42 31.410 10.581 -3.291 1.00 0.00 C ATOM 0 H VAL A 42 28.707 8.763 -2.503 1.00 0.00 H new ATOM 0 HA VAL A 42 28.826 11.475 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 42 30.489 9.043 -4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 42 31.611 10.582 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 42 29.881 10.408 -6.375 1.00 0.00 H new ATOM 0 HG13 VAL A 42 30.469 11.869 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 42 32.411 10.375 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 42 31.300 11.652 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 42 31.262 10.048 -2.352 1.00 0.00 H new ATOM 615 N CYS A 43 27.702 8.591 -4.813 1.00 0.00 N ATOM 616 CA CYS A 43 26.759 7.983 -5.744 1.00 0.00 C ATOM 617 C CYS A 43 25.578 7.369 -4.998 1.00 0.00 C ATOM 618 O CYS A 43 24.439 7.431 -5.459 1.00 0.00 O ATOM 619 CB CYS A 43 27.458 6.913 -6.584 1.00 0.00 C ATOM 620 SG CYS A 43 27.837 5.382 -5.673 1.00 0.00 S ATOM 0 H CYS A 43 28.146 7.933 -4.173 1.00 0.00 H new ATOM 0 HA CYS A 43 26.383 8.765 -6.404 1.00 0.00 H new ATOM 0 HB2 CYS A 43 26.827 6.668 -7.439 1.00 0.00 H new ATOM 0 HB3 CYS A 43 28.385 7.326 -6.980 1.00 0.00 H new ATOM 0 HG CYS A 43 28.716 5.633 -4.749 1.00 0.00 H new ATOM 625 N GLY A 44 25.859 6.775 -3.842 1.00 0.00 N ATOM 626 CA GLY A 44 24.810 6.158 -3.051 1.00 0.00 C ATOM 627 C GLY A 44 25.026 4.669 -2.862 1.00 0.00 C ATOM 628 O GLY A 44 24.068 3.904 -2.753 1.00 0.00 O ATOM 0 H GLY A 44 26.794 6.710 -3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 44 24.763 6.642 -2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 44 23.848 6.324 -3.536 1.00 0.00 H new ATOM 632 N LYS A 45 26.289 4.256 -2.826 1.00 0.00 N ATOM 633 CA LYS A 45 26.629 2.849 -2.650 1.00 0.00 C ATOM 634 C LYS A 45 26.960 2.548 -1.192 1.00 0.00 C ATOM 635 O LYS A 45 26.922 3.435 -0.339 1.00 0.00 O ATOM 636 CB LYS A 45 27.815 2.475 -3.541 1.00 0.00 C ATOM 637 CG LYS A 45 27.409 1.979 -4.918 1.00 0.00 C ATOM 638 CD LYS A 45 28.418 0.988 -5.474 1.00 0.00 C ATOM 639 CE LYS A 45 28.098 -0.435 -5.043 1.00 0.00 C ATOM 640 NZ LYS A 45 28.846 -1.440 -5.848 1.00 0.00 N ATOM 0 H LYS A 45 27.094 4.876 -2.916 1.00 0.00 H new ATOM 0 HA LYS A 45 25.763 2.253 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 45 28.462 3.345 -3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 45 28.402 1.703 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 45 26.428 1.507 -4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 45 27.317 2.826 -5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 45 28.425 1.047 -6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 45 29.418 1.256 -5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 45 28.344 -0.559 -3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 45 27.027 -0.613 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 28.600 -2.397 -5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 28.593 -1.339 -6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 29.868 -1.287 -5.732 1.00 0.00 H new ATOM 654 N LYS A 46 27.287 1.291 -0.912 1.00 0.00 N ATOM 655 CA LYS A 46 27.628 0.872 0.443 1.00 0.00 C ATOM 656 C LYS A 46 28.503 -0.378 0.422 1.00 0.00 C ATOM 657 O LYS A 46 28.546 -1.100 -0.574 1.00 0.00 O ATOM 658 CB LYS A 46 26.356 0.603 1.251 1.00 0.00 C ATOM 659 CG LYS A 46 25.454 1.817 1.386 1.00 0.00 C ATOM 660 CD LYS A 46 24.327 1.568 2.375 1.00 0.00 C ATOM 661 CE LYS A 46 23.219 2.599 2.230 1.00 0.00 C ATOM 662 NZ LYS A 46 22.350 2.653 3.438 1.00 0.00 N ATOM 0 H LYS A 46 27.323 0.544 -1.606 1.00 0.00 H new ATOM 0 HA LYS A 46 28.188 1.679 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 46 25.797 -0.203 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 46 26.634 0.255 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 46 26.043 2.674 1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 46 25.035 2.070 0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.919 0.569 2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 46 24.721 1.596 3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.658 3.581 2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 46 22.612 2.360 1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 21.607 3.368 3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.911 1.723 3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.924 2.906 4.267 1.00 0.00 H new ATOM 676 N PHE A 47 29.197 -0.627 1.527 1.00 0.00 N ATOM 677 CA PHE A 47 30.071 -1.789 1.635 1.00 0.00 C ATOM 678 C PHE A 47 30.199 -2.240 3.088 1.00 0.00 C ATOM 679 O PHE A 47 30.015 -1.450 4.014 1.00 0.00 O ATOM 680 CB PHE A 47 31.454 -1.469 1.065 1.00 0.00 C ATOM 681 CG PHE A 47 31.411 -0.877 -0.314 1.00 0.00 C ATOM 682 CD1 PHE A 47 30.941 0.411 -0.515 1.00 0.00 C ATOM 683 CD2 PHE A 47 31.842 -1.607 -1.410 1.00 0.00 C ATOM 684 CE1 PHE A 47 30.900 0.958 -1.784 1.00 0.00 C ATOM 685 CE2 PHE A 47 31.804 -1.065 -2.681 1.00 0.00 C ATOM 686 CZ PHE A 47 31.333 0.220 -2.868 1.00 0.00 C ATOM 0 H PHE A 47 29.171 -0.040 2.361 1.00 0.00 H new ATOM 0 HA PHE A 47 29.627 -2.601 1.058 1.00 0.00 H new ATOM 0 HB2 PHE A 47 31.962 -0.775 1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 47 32.049 -2.382 1.041 1.00 0.00 H new ATOM 0 HD1 PHE A 47 30.603 0.994 0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 47 32.212 -2.612 -1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 47 30.529 1.962 -1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 47 32.142 -1.645 -3.527 1.00 0.00 H new ATOM 0 HZ PHE A 47 31.303 0.647 -3.860 1.00 0.00 H new ATOM 696 N LYS A 48 30.514 -3.516 3.279 1.00 0.00 N ATOM 697 CA LYS A 48 30.667 -4.075 4.617 1.00 0.00 C ATOM 698 C LYS A 48 31.969 -3.603 5.257 1.00 0.00 C ATOM 699 O LYS A 48 31.990 -3.205 6.422 1.00 0.00 O ATOM 700 CB LYS A 48 30.640 -5.604 4.560 1.00 0.00 C ATOM 701 CG LYS A 48 29.396 -6.165 3.893 1.00 0.00 C ATOM 702 CD LYS A 48 29.018 -7.520 4.468 1.00 0.00 C ATOM 703 CE LYS A 48 28.261 -8.364 3.454 1.00 0.00 C ATOM 704 NZ LYS A 48 27.323 -9.315 4.114 1.00 0.00 N ATOM 0 H LYS A 48 30.669 -4.184 2.523 1.00 0.00 H new ATOM 0 HA LYS A 48 29.834 -3.726 5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 48 31.520 -5.955 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 48 30.708 -5.998 5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.567 -5.469 4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.568 -6.259 2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.919 -8.047 4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.404 -7.380 5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 48 27.704 -7.711 2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 48 28.971 -8.920 2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 26.826 -9.872 3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 27.858 -9.955 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.629 -8.783 4.678 1.00 0.00 H new ATOM 718 N MET A 49 33.052 -3.649 4.489 1.00 0.00 N ATOM 719 CA MET A 49 34.357 -3.223 4.982 1.00 0.00 C ATOM 720 C MET A 49 34.786 -1.916 4.323 1.00 0.00 C ATOM 721 O MET A 49 34.127 -1.424 3.408 1.00 0.00 O ATOM 722 CB MET A 49 35.404 -4.308 4.720 1.00 0.00 C ATOM 723 CG MET A 49 34.922 -5.710 5.053 1.00 0.00 C ATOM 724 SD MET A 49 35.086 -6.103 6.805 1.00 0.00 S ATOM 725 CE MET A 49 33.937 -7.469 6.955 1.00 0.00 C ATOM 0 H MET A 49 33.052 -3.977 3.523 1.00 0.00 H new ATOM 0 HA MET A 49 34.276 -3.058 6.056 1.00 0.00 H new ATOM 0 HB2 MET A 49 35.697 -4.273 3.671 1.00 0.00 H new ATOM 0 HB3 MET A 49 36.296 -4.090 5.307 1.00 0.00 H new ATOM 0 HG2 MET A 49 33.877 -5.810 4.758 1.00 0.00 H new ATOM 0 HG3 MET A 49 35.489 -6.434 4.468 1.00 0.00 H new ATOM 0 HE1 MET A 49 33.926 -7.824 7.986 1.00 0.00 H new ATOM 0 HE2 MET A 49 32.938 -7.136 6.675 1.00 0.00 H new ATOM 0 HE3 MET A 49 34.247 -8.280 6.296 1.00 0.00 H new ATOM 735 N LYS A 50 35.896 -1.358 4.795 1.00 0.00 N ATOM 736 CA LYS A 50 36.415 -0.108 4.252 1.00 0.00 C ATOM 737 C LYS A 50 37.202 -0.358 2.969 1.00 0.00 C ATOM 738 O LYS A 50 37.268 0.504 2.092 1.00 0.00 O ATOM 739 CB LYS A 50 37.307 0.588 5.282 1.00 0.00 C ATOM 740 CG LYS A 50 38.639 -0.107 5.502 1.00 0.00 C ATOM 741 CD LYS A 50 38.594 -1.029 6.709 1.00 0.00 C ATOM 742 CE LYS A 50 39.077 -0.325 7.968 1.00 0.00 C ATOM 743 NZ LYS A 50 40.563 -0.293 8.050 1.00 0.00 N ATOM 0 H LYS A 50 36.454 -1.752 5.553 1.00 0.00 H new ATOM 0 HA LYS A 50 35.568 0.537 4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 50 37.490 1.612 4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 50 36.775 0.644 6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 50 38.902 -0.681 4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 50 39.421 0.639 5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 50 37.575 -1.385 6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 50 39.213 -1.906 6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 50 38.690 0.694 7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 50 38.676 -0.833 8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 40.852 0.195 8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 40.931 -1.266 8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 40.945 0.214 7.226 1.00 0.00 H new ATOM 757 N HIS A 51 37.796 -1.542 2.865 1.00 0.00 N ATOM 758 CA HIS A 51 38.577 -1.905 1.688 1.00 0.00 C ATOM 759 C HIS A 51 37.664 -2.208 0.503 1.00 0.00 C ATOM 760 O HIS A 51 38.066 -2.076 -0.653 1.00 0.00 O ATOM 761 CB HIS A 51 39.460 -3.116 1.989 1.00 0.00 C ATOM 762 CG HIS A 51 38.776 -4.168 2.808 1.00 0.00 C ATOM 763 ND1 HIS A 51 39.080 -4.407 4.131 1.00 0.00 N ATOM 764 CD2 HIS A 51 37.797 -5.044 2.483 1.00 0.00 C ATOM 765 CE1 HIS A 51 38.318 -5.387 4.585 1.00 0.00 C ATOM 766 NE2 HIS A 51 37.530 -5.790 3.605 1.00 0.00 N ATOM 0 H HIS A 51 37.752 -2.267 3.581 1.00 0.00 H new ATOM 0 HA HIS A 51 39.212 -1.058 1.428 1.00 0.00 H new ATOM 0 HB2 HIS A 51 39.790 -3.557 1.049 1.00 0.00 H new ATOM 0 HB3 HIS A 51 40.354 -2.782 2.515 1.00 0.00 H new ATOM 0 HD1 HIS A 51 39.783 -3.906 4.675 1.00 0.00 H new ATOM 0 HD2 HIS A 51 37.315 -5.139 1.521 1.00 0.00 H new ATOM 0 HE1 HIS A 51 38.337 -5.790 5.587 1.00 0.00 H new ATOM 774 N HIS A 52 36.434 -2.617 0.799 1.00 0.00 N ATOM 775 CA HIS A 52 35.465 -2.939 -0.241 1.00 0.00 C ATOM 776 C HIS A 52 34.907 -1.669 -0.877 1.00 0.00 C ATOM 777 O HIS A 52 34.551 -1.657 -2.056 1.00 0.00 O ATOM 778 CB HIS A 52 34.324 -3.777 0.337 1.00 0.00 C ATOM 779 CG HIS A 52 34.731 -5.170 0.705 1.00 0.00 C ATOM 780 ND1 HIS A 52 34.565 -5.693 1.970 1.00 0.00 N ATOM 781 CD2 HIS A 52 35.298 -6.152 -0.034 1.00 0.00 C ATOM 782 CE1 HIS A 52 35.014 -6.935 1.994 1.00 0.00 C ATOM 783 NE2 HIS A 52 35.464 -7.238 0.789 1.00 0.00 N ATOM 0 H HIS A 52 36.086 -2.733 1.751 1.00 0.00 H new ATOM 0 HA HIS A 52 35.976 -3.516 -1.012 1.00 0.00 H new ATOM 0 HB2 HIS A 52 33.929 -3.277 1.221 1.00 0.00 H new ATOM 0 HB3 HIS A 52 33.514 -3.824 -0.391 1.00 0.00 H new ATOM 0 HD2 HIS A 52 35.569 -6.092 -1.078 1.00 0.00 H new ATOM 0 HE1 HIS A 52 35.013 -7.591 2.852 1.00 0.00 H new ATOM 0 HE2 HIS A 52 35.869 -8.133 0.515 1.00 0.00 H new ATOM 791 N LEU A 53 34.834 -0.602 -0.089 1.00 0.00 N ATOM 792 CA LEU A 53 34.319 0.674 -0.575 1.00 0.00 C ATOM 793 C LEU A 53 35.407 1.459 -1.300 1.00 0.00 C ATOM 794 O LEU A 53 35.135 2.164 -2.272 1.00 0.00 O ATOM 795 CB LEU A 53 33.768 1.499 0.589 1.00 0.00 C ATOM 796 CG LEU A 53 33.523 2.981 0.303 1.00 0.00 C ATOM 797 CD1 LEU A 53 32.348 3.155 -0.647 1.00 0.00 C ATOM 798 CD2 LEU A 53 33.279 3.741 1.599 1.00 0.00 C ATOM 0 H LEU A 53 35.125 -0.595 0.889 1.00 0.00 H new ATOM 0 HA LEU A 53 33.514 0.469 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.828 1.052 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 53 34.463 1.421 1.425 1.00 0.00 H new ATOM 0 HG LEU A 53 34.413 3.391 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 53 32.189 4.216 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 53 32.561 2.645 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 53 31.451 2.729 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 53 33.107 4.794 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 53 32.405 3.329 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 53 34.150 3.645 2.247 1.00 0.00 H new ATOM 810 N VAL A 54 36.641 1.331 -0.822 1.00 0.00 N ATOM 811 CA VAL A 54 37.771 2.026 -1.427 1.00 0.00 C ATOM 812 C VAL A 54 37.875 1.715 -2.916 1.00 0.00 C ATOM 813 O VAL A 54 37.792 2.611 -3.755 1.00 0.00 O ATOM 814 CB VAL A 54 39.096 1.645 -0.741 1.00 0.00 C ATOM 815 CG1 VAL A 54 40.270 1.872 -1.682 1.00 0.00 C ATOM 816 CG2 VAL A 54 39.275 2.435 0.547 1.00 0.00 C ATOM 0 H VAL A 54 36.883 0.752 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 54 37.594 3.093 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 54 39.063 0.585 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.197 1.597 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 54 40.145 1.258 -2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 54 40.310 2.923 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 54 40.216 2.153 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 54 39.287 3.501 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 54 38.450 2.217 1.225 1.00 0.00 H new ATOM 826 N GLY A 55 38.056 0.437 -3.237 1.00 0.00 N ATOM 827 CA GLY A 55 38.167 0.030 -4.625 1.00 0.00 C ATOM 828 C GLY A 55 37.108 0.667 -5.503 1.00 0.00 C ATOM 829 O GLY A 55 37.278 0.770 -6.718 1.00 0.00 O ATOM 0 H GLY A 55 38.128 -0.323 -2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 55 39.155 0.297 -5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 55 38.084 -1.055 -4.690 1.00 0.00 H new ATOM 833 N HIS A 56 36.010 1.094 -4.888 1.00 0.00 N ATOM 834 CA HIS A 56 34.918 1.723 -5.622 1.00 0.00 C ATOM 835 C HIS A 56 35.039 3.243 -5.579 1.00 0.00 C ATOM 836 O HIS A 56 34.780 3.924 -6.571 1.00 0.00 O ATOM 837 CB HIS A 56 33.570 1.291 -5.043 1.00 0.00 C ATOM 838 CG HIS A 56 32.469 2.275 -5.290 1.00 0.00 C ATOM 839 ND1 HIS A 56 31.749 2.320 -6.465 1.00 0.00 N ATOM 840 CD2 HIS A 56 31.964 3.255 -4.503 1.00 0.00 C ATOM 841 CE1 HIS A 56 30.850 3.285 -6.391 1.00 0.00 C ATOM 842 NE2 HIS A 56 30.960 3.868 -5.211 1.00 0.00 N ATOM 0 H HIS A 56 35.853 1.016 -3.883 1.00 0.00 H new ATOM 0 HA HIS A 56 34.979 1.400 -6.661 1.00 0.00 H new ATOM 0 HB2 HIS A 56 33.290 0.330 -5.474 1.00 0.00 H new ATOM 0 HB3 HIS A 56 33.677 1.140 -3.969 1.00 0.00 H new ATOM 0 HD1 HIS A 56 31.889 1.704 -7.266 1.00 0.00 H new ATOM 0 HD2 HIS A 56 32.290 3.507 -3.505 1.00 0.00 H new ATOM 0 HE1 HIS A 56 30.145 3.552 -7.164 1.00 0.00 H new ATOM 850 N MET A 57 35.434 3.768 -4.423 1.00 0.00 N ATOM 851 CA MET A 57 35.589 5.208 -4.252 1.00 0.00 C ATOM 852 C MET A 57 36.530 5.783 -5.307 1.00 0.00 C ATOM 853 O MET A 57 36.424 6.952 -5.677 1.00 0.00 O ATOM 854 CB MET A 57 36.121 5.522 -2.852 1.00 0.00 C ATOM 855 CG MET A 57 35.155 5.153 -1.738 1.00 0.00 C ATOM 856 SD MET A 57 34.104 6.533 -1.245 1.00 0.00 S ATOM 857 CE MET A 57 33.367 6.976 -2.817 1.00 0.00 C ATOM 0 H MET A 57 35.652 3.218 -3.592 1.00 0.00 H new ATOM 0 HA MET A 57 34.610 5.671 -4.373 1.00 0.00 H new ATOM 0 HB2 MET A 57 37.059 4.988 -2.700 1.00 0.00 H new ATOM 0 HB3 MET A 57 36.347 6.586 -2.788 1.00 0.00 H new ATOM 0 HG2 MET A 57 34.529 4.323 -2.065 1.00 0.00 H new ATOM 0 HG3 MET A 57 35.720 4.804 -0.873 1.00 0.00 H new ATOM 0 HE1 MET A 57 32.586 7.720 -2.656 1.00 0.00 H new ATOM 0 HE2 MET A 57 34.132 7.389 -3.474 1.00 0.00 H new ATOM 0 HE3 MET A 57 32.933 6.089 -3.278 1.00 0.00 H new ATOM 867 N LYS A 58 37.450 4.953 -5.787 1.00 0.00 N ATOM 868 CA LYS A 58 38.409 5.377 -6.800 1.00 0.00 C ATOM 869 C LYS A 58 37.694 5.929 -8.030 1.00 0.00 C ATOM 870 O LYS A 58 38.245 6.750 -8.764 1.00 0.00 O ATOM 871 CB LYS A 58 39.309 4.206 -7.203 1.00 0.00 C ATOM 872 CG LYS A 58 40.151 3.666 -6.060 1.00 0.00 C ATOM 873 CD LYS A 58 40.466 2.192 -6.248 1.00 0.00 C ATOM 874 CE LYS A 58 41.553 1.982 -7.291 1.00 0.00 C ATOM 875 NZ LYS A 58 41.006 2.019 -8.676 1.00 0.00 N ATOM 0 H LYS A 58 37.552 3.982 -5.490 1.00 0.00 H new ATOM 0 HA LYS A 58 39.024 6.169 -6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 58 38.689 3.401 -7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 58 39.969 4.526 -8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 58 41.080 4.232 -5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.622 3.809 -5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 58 40.784 1.763 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 58 39.563 1.662 -6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 58 42.316 2.753 -7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 58 42.041 1.023 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 41.549 1.370 -9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 40.008 1.727 -8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 41.079 2.986 -9.052 1.00 0.00 H new ATOM 889 N ILE A 59 36.465 5.474 -8.247 1.00 0.00 N ATOM 890 CA ILE A 59 35.674 5.924 -9.386 1.00 0.00 C ATOM 891 C ILE A 59 35.221 7.368 -9.204 1.00 0.00 C ATOM 892 O ILE A 59 34.835 8.035 -10.165 1.00 0.00 O ATOM 893 CB ILE A 59 34.437 5.032 -9.600 1.00 0.00 C ATOM 894 CG1 ILE A 59 33.293 5.483 -8.689 1.00 0.00 C ATOM 895 CG2 ILE A 59 34.784 3.574 -9.342 1.00 0.00 C ATOM 896 CD1 ILE A 59 32.038 4.653 -8.840 1.00 0.00 C ATOM 0 H ILE A 59 35.995 4.794 -7.649 1.00 0.00 H new ATOM 0 HA ILE A 59 36.317 5.856 -10.264 1.00 0.00 H new ATOM 0 HB ILE A 59 34.112 5.129 -10.636 1.00 0.00 H new ATOM 0 HG12 ILE A 59 33.626 5.438 -7.652 1.00 0.00 H new ATOM 0 HG13 ILE A 59 33.058 6.525 -8.904 1.00 0.00 H new ATOM 0 HG21 ILE A 59 33.899 2.956 -9.497 1.00 0.00 H new ATOM 0 HG22 ILE A 59 35.571 3.260 -10.028 1.00 0.00 H new ATOM 0 HG23 ILE A 59 35.131 3.459 -8.315 1.00 0.00 H new ATOM 0 HD11 ILE A 59 31.270 5.029 -8.165 1.00 0.00 H new ATOM 0 HD12 ILE A 59 31.681 4.717 -9.868 1.00 0.00 H new ATOM 0 HD13 ILE A 59 32.258 3.613 -8.597 1.00 0.00 H new ATOM 908 N HIS A 60 35.272 7.847 -7.965 1.00 0.00 N ATOM 909 CA HIS A 60 34.869 9.215 -7.657 1.00 0.00 C ATOM 910 C HIS A 60 36.083 10.077 -7.322 1.00 0.00 C ATOM 911 O HIS A 60 35.947 11.185 -6.802 1.00 0.00 O ATOM 912 CB HIS A 60 33.883 9.227 -6.488 1.00 0.00 C ATOM 913 CG HIS A 60 32.637 8.436 -6.747 1.00 0.00 C ATOM 914 ND1 HIS A 60 31.813 8.664 -7.829 1.00 0.00 N ATOM 915 CD2 HIS A 60 32.079 7.414 -6.059 1.00 0.00 C ATOM 916 CE1 HIS A 60 30.799 7.817 -7.793 1.00 0.00 C ATOM 917 NE2 HIS A 60 30.938 7.047 -6.729 1.00 0.00 N ATOM 0 H HIS A 60 35.588 7.309 -7.158 1.00 0.00 H new ATOM 0 HA HIS A 60 34.382 9.631 -8.539 1.00 0.00 H new ATOM 0 HB2 HIS A 60 34.378 8.830 -5.602 1.00 0.00 H new ATOM 0 HB3 HIS A 60 33.609 10.258 -6.265 1.00 0.00 H new ATOM 0 HD2 HIS A 60 32.460 6.969 -5.152 1.00 0.00 H new ATOM 0 HE1 HIS A 60 29.994 7.764 -8.511 1.00 0.00 H new ATOM 0 HE2 HIS A 60 30.301 6.301 -6.450 1.00 0.00 H new ATOM 1001 N TYR A 66 44.249 21.635 -7.297 1.00 0.00 N ATOM 1002 CA TYR A 66 44.291 22.540 -6.155 1.00 0.00 C ATOM 1003 C TYR A 66 43.641 21.904 -4.931 1.00 0.00 C ATOM 1004 O TYR A 66 42.714 21.105 -5.052 1.00 0.00 O ATOM 1005 CB TYR A 66 43.588 23.856 -6.494 1.00 0.00 C ATOM 1006 CG TYR A 66 43.952 24.404 -7.855 1.00 0.00 C ATOM 1007 CD1 TYR A 66 45.280 24.556 -8.233 1.00 0.00 C ATOM 1008 CD2 TYR A 66 42.967 24.770 -8.765 1.00 0.00 C ATOM 1009 CE1 TYR A 66 45.617 25.057 -9.475 1.00 0.00 C ATOM 1010 CE2 TYR A 66 43.294 25.271 -10.010 1.00 0.00 C ATOM 1011 CZ TYR A 66 44.621 25.413 -10.360 1.00 0.00 C ATOM 1012 OH TYR A 66 44.952 25.911 -11.599 1.00 0.00 O ATOM 0 HA TYR A 66 45.337 22.743 -5.924 1.00 0.00 H new ATOM 0 HB2 TYR A 66 42.510 23.704 -6.449 1.00 0.00 H new ATOM 0 HB3 TYR A 66 43.837 24.597 -5.735 1.00 0.00 H new ATOM 0 HD1 TYR A 66 46.063 24.277 -7.543 1.00 0.00 H new ATOM 0 HD2 TYR A 66 41.927 24.661 -8.494 1.00 0.00 H new ATOM 0 HE1 TYR A 66 46.655 25.169 -9.752 1.00 0.00 H new ATOM 0 HE2 TYR A 66 42.516 25.550 -10.705 1.00 0.00 H new ATOM 0 HH TYR A 66 44.134 26.111 -12.100 1.00 0.00 H new ATOM 1022 N GLU A 67 44.136 22.265 -3.751 1.00 0.00 N ATOM 1023 CA GLU A 67 43.604 21.729 -2.504 1.00 0.00 C ATOM 1024 C GLU A 67 43.695 22.763 -1.385 1.00 0.00 C ATOM 1025 O GLU A 67 44.601 23.597 -1.367 1.00 0.00 O ATOM 1026 CB GLU A 67 44.361 20.461 -2.104 1.00 0.00 C ATOM 1027 CG GLU A 67 44.171 20.073 -0.647 1.00 0.00 C ATOM 1028 CD GLU A 67 44.483 18.612 -0.387 1.00 0.00 C ATOM 1029 OE1 GLU A 67 44.013 17.756 -1.166 1.00 0.00 O ATOM 1030 OE2 GLU A 67 45.197 18.324 0.596 1.00 0.00 O ATOM 0 H GLU A 67 44.904 22.926 -3.633 1.00 0.00 H new ATOM 0 HA GLU A 67 42.554 21.482 -2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 67 44.032 19.637 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 67 45.424 20.606 -2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 67 44.813 20.694 -0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 67 43.142 20.279 -0.351 1.00 0.00 H new ATOM 1037 N CYS A 68 42.750 22.702 -0.453 1.00 0.00 N ATOM 1038 CA CYS A 68 42.721 23.632 0.670 1.00 0.00 C ATOM 1039 C CYS A 68 43.852 23.336 1.651 1.00 0.00 C ATOM 1040 O CYS A 68 44.570 22.348 1.506 1.00 0.00 O ATOM 1041 CB CYS A 68 41.373 23.554 1.389 1.00 0.00 C ATOM 1042 SG CYS A 68 40.932 25.065 2.307 1.00 0.00 S ATOM 0 H CYS A 68 41.994 22.018 -0.453 1.00 0.00 H new ATOM 0 HA CYS A 68 42.858 24.640 0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 68 40.594 23.347 0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 68 41.391 22.713 2.082 1.00 0.00 H new ATOM 0 HG CYS A 68 39.966 24.803 3.136 1.00 0.00 H new ATOM 1047 N ASN A 69 44.003 24.200 2.649 1.00 0.00 N ATOM 1048 CA ASN A 69 45.046 24.032 3.655 1.00 0.00 C ATOM 1049 C ASN A 69 44.446 23.633 5.000 1.00 0.00 C ATOM 1050 O ASN A 69 45.043 22.863 5.753 1.00 0.00 O ATOM 1051 CB ASN A 69 45.851 25.324 3.806 1.00 0.00 C ATOM 1052 CG ASN A 69 46.701 25.332 5.061 1.00 0.00 C ATOM 1053 OD1 ASN A 69 47.634 24.539 5.198 1.00 0.00 O ATOM 1054 ND2 ASN A 69 46.383 26.230 5.986 1.00 0.00 N ATOM 0 H ASN A 69 43.417 25.024 2.783 1.00 0.00 H new ATOM 0 HA ASN A 69 45.711 23.234 3.323 1.00 0.00 H new ATOM 0 HB2 ASN A 69 46.493 25.453 2.935 1.00 0.00 H new ATOM 0 HB3 ASN A 69 45.169 26.174 3.827 1.00 0.00 H new ATOM 0 HD21 ASN A 69 46.920 26.282 6.852 1.00 0.00 H new ATOM 0 HD22 ASN A 69 45.602 26.868 5.831 1.00 0.00 H new ATOM 1061 N ILE A 70 43.263 24.161 5.293 1.00 0.00 N ATOM 1062 CA ILE A 70 42.582 23.859 6.546 1.00 0.00 C ATOM 1063 C ILE A 70 41.909 22.492 6.490 1.00 0.00 C ATOM 1064 O ILE A 70 42.269 21.579 7.234 1.00 0.00 O ATOM 1065 CB ILE A 70 41.524 24.926 6.883 1.00 0.00 C ATOM 1066 CG1 ILE A 70 42.185 26.295 7.056 1.00 0.00 C ATOM 1067 CG2 ILE A 70 40.762 24.538 8.141 1.00 0.00 C ATOM 1068 CD1 ILE A 70 42.413 27.025 5.751 1.00 0.00 C ATOM 0 H ILE A 70 42.756 24.800 4.680 1.00 0.00 H new ATOM 0 HA ILE A 70 43.343 23.855 7.326 1.00 0.00 H new ATOM 0 HB ILE A 70 40.816 24.987 6.057 1.00 0.00 H new ATOM 0 HG12 ILE A 70 41.561 26.911 7.704 1.00 0.00 H new ATOM 0 HG13 ILE A 70 43.141 26.166 7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 70 40.018 25.302 8.366 1.00 0.00 H new ATOM 0 HG22 ILE A 70 40.264 23.581 7.984 1.00 0.00 H new ATOM 0 HG23 ILE A 70 41.458 24.452 8.976 1.00 0.00 H new ATOM 0 HD11 ILE A 70 42.885 27.987 5.950 1.00 0.00 H new ATOM 0 HD12 ILE A 70 43.062 26.429 5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 70 41.457 27.186 5.252 1.00 0.00 H new ATOM 1080 N CYS A 71 40.929 22.357 5.602 1.00 0.00 N ATOM 1081 CA CYS A 71 40.206 21.101 5.446 1.00 0.00 C ATOM 1082 C CYS A 71 40.892 20.201 4.423 1.00 0.00 C ATOM 1083 O CYS A 71 40.598 19.009 4.333 1.00 0.00 O ATOM 1084 CB CYS A 71 38.762 21.370 5.018 1.00 0.00 C ATOM 1085 SG CYS A 71 38.607 22.469 3.573 1.00 0.00 S ATOM 0 H CYS A 71 40.618 23.103 4.980 1.00 0.00 H new ATOM 0 HA CYS A 71 40.204 20.590 6.409 1.00 0.00 H new ATOM 0 HB2 CYS A 71 38.278 20.420 4.792 1.00 0.00 H new ATOM 0 HB3 CYS A 71 38.222 21.811 5.856 1.00 0.00 H new ATOM 0 HG CYS A 71 38.523 23.703 3.973 1.00 0.00 H new ATOM 1090 N ALA A 72 41.808 20.780 3.654 1.00 0.00 N ATOM 1091 CA ALA A 72 42.538 20.030 2.639 1.00 0.00 C ATOM 1092 C ALA A 72 41.598 19.517 1.554 1.00 0.00 C ATOM 1093 O ALA A 72 41.868 18.500 0.914 1.00 0.00 O ATOM 1094 CB ALA A 72 43.292 18.873 3.278 1.00 0.00 C ATOM 0 H ALA A 72 42.062 21.766 3.714 1.00 0.00 H new ATOM 0 HA ALA A 72 43.257 20.703 2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 72 43.832 18.322 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 72 43.999 19.260 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 72 42.585 18.207 3.773 1.00 0.00 H new ATOM 1100 N LYS A 73 40.493 20.227 1.350 1.00 0.00 N ATOM 1101 CA LYS A 73 39.513 19.844 0.342 1.00 0.00 C ATOM 1102 C LYS A 73 40.120 19.899 -1.057 1.00 0.00 C ATOM 1103 O LYS A 73 41.146 20.544 -1.273 1.00 0.00 O ATOM 1104 CB LYS A 73 38.290 20.762 0.415 1.00 0.00 C ATOM 1105 CG LYS A 73 37.187 20.235 1.316 1.00 0.00 C ATOM 1106 CD LYS A 73 35.841 20.846 0.966 1.00 0.00 C ATOM 1107 CE LYS A 73 35.096 20.004 -0.059 1.00 0.00 C ATOM 1108 NZ LYS A 73 35.596 20.242 -1.441 1.00 0.00 N ATOM 0 H LYS A 73 40.254 21.071 1.870 1.00 0.00 H new ATOM 0 HA LYS A 73 39.203 18.819 0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 73 38.603 21.743 0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 73 37.891 20.902 -0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 73 37.130 19.150 1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 73 37.429 20.456 2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 73 35.237 20.940 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 73 35.988 21.852 0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 73 35.205 18.948 0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 73 34.032 20.234 -0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 34.847 20.015 -2.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 35.868 21.240 -1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 36.423 19.637 -1.620 1.00 0.00 H new ATOM 1122 N ARG A 74 39.479 19.221 -2.003 1.00 0.00 N ATOM 1123 CA ARG A 74 39.956 19.194 -3.380 1.00 0.00 C ATOM 1124 C ARG A 74 38.990 19.929 -4.305 1.00 0.00 C ATOM 1125 O ARG A 74 37.776 19.737 -4.231 1.00 0.00 O ATOM 1126 CB ARG A 74 40.132 17.749 -3.853 1.00 0.00 C ATOM 1127 CG ARG A 74 41.207 16.987 -3.095 1.00 0.00 C ATOM 1128 CD ARG A 74 41.223 15.516 -3.480 1.00 0.00 C ATOM 1129 NE ARG A 74 42.502 14.883 -3.171 1.00 0.00 N ATOM 1130 CZ ARG A 74 42.850 14.484 -1.953 1.00 0.00 C ATOM 1131 NH1 ARG A 74 42.018 14.651 -0.935 1.00 0.00 N ATOM 1132 NH2 ARG A 74 44.032 13.916 -1.752 1.00 0.00 N ATOM 0 H ARG A 74 38.628 18.683 -1.841 1.00 0.00 H new ATOM 0 HA ARG A 74 40.921 19.701 -3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 74 39.183 17.223 -3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 74 40.380 17.751 -4.914 1.00 0.00 H new ATOM 0 HG2 ARG A 74 42.182 17.429 -3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 74 41.034 17.082 -2.023 1.00 0.00 H new ATOM 0 HD2 ARG A 74 40.424 14.995 -2.953 1.00 0.00 H new ATOM 0 HD3 ARG A 74 41.018 15.418 -4.546 1.00 0.00 H new ATOM 0 HE ARG A 74 43.165 14.739 -3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 74 41.108 15.087 -1.086 1.00 0.00 H new ATOM 0 HH12 ARG A 74 42.287 14.344 -0.000 1.00 0.00 H new ATOM 0 HH21 ARG A 74 44.675 13.785 -2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 74 44.298 13.610 -0.816 1.00 0.00 H new ATOM 1146 N PHE A 75 39.538 20.771 -5.174 1.00 0.00 N ATOM 1147 CA PHE A 75 38.725 21.537 -6.113 1.00 0.00 C ATOM 1148 C PHE A 75 39.314 21.474 -7.519 1.00 0.00 C ATOM 1149 O PHE A 75 40.526 21.585 -7.701 1.00 0.00 O ATOM 1150 CB PHE A 75 38.618 22.993 -5.657 1.00 0.00 C ATOM 1151 CG PHE A 75 37.911 23.159 -4.342 1.00 0.00 C ATOM 1152 CD1 PHE A 75 36.530 23.256 -4.290 1.00 0.00 C ATOM 1153 CD2 PHE A 75 38.628 23.218 -3.157 1.00 0.00 C ATOM 1154 CE1 PHE A 75 35.877 23.410 -3.081 1.00 0.00 C ATOM 1155 CE2 PHE A 75 37.981 23.371 -1.946 1.00 0.00 C ATOM 1156 CZ PHE A 75 36.604 23.466 -1.908 1.00 0.00 C ATOM 0 H PHE A 75 40.541 20.941 -5.248 1.00 0.00 H new ATOM 0 HA PHE A 75 37.728 21.097 -6.136 1.00 0.00 H new ATOM 0 HB2 PHE A 75 39.620 23.415 -5.578 1.00 0.00 H new ATOM 0 HB3 PHE A 75 38.090 23.566 -6.419 1.00 0.00 H new ATOM 0 HD1 PHE A 75 35.957 23.211 -5.204 1.00 0.00 H new ATOM 0 HD2 PHE A 75 39.705 23.143 -3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 75 34.800 23.486 -3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 75 38.552 23.416 -1.030 1.00 0.00 H new ATOM 0 HZ PHE A 75 36.096 23.584 -0.962 1.00 0.00 H new ATOM 1166 N MET A 76 38.447 21.296 -8.510 1.00 0.00 N ATOM 1167 CA MET A 76 38.880 21.220 -9.900 1.00 0.00 C ATOM 1168 C MET A 76 39.100 22.614 -10.479 1.00 0.00 C ATOM 1169 O MET A 76 40.085 22.859 -11.175 1.00 0.00 O ATOM 1170 CB MET A 76 37.848 20.463 -10.738 1.00 0.00 C ATOM 1171 CG MET A 76 36.496 21.155 -10.806 1.00 0.00 C ATOM 1172 SD MET A 76 35.293 20.236 -11.785 1.00 0.00 S ATOM 1173 CE MET A 76 35.881 20.569 -13.443 1.00 0.00 C ATOM 0 H MET A 76 37.440 21.202 -8.376 1.00 0.00 H new ATOM 0 HA MET A 76 39.827 20.681 -9.930 1.00 0.00 H new ATOM 0 HB2 MET A 76 38.234 20.338 -11.750 1.00 0.00 H new ATOM 0 HB3 MET A 76 37.716 19.464 -10.322 1.00 0.00 H new ATOM 0 HG2 MET A 76 36.110 21.289 -9.796 1.00 0.00 H new ATOM 0 HG3 MET A 76 36.623 22.150 -11.233 1.00 0.00 H new ATOM 0 HE1 MET A 76 35.153 20.204 -14.167 1.00 0.00 H new ATOM 0 HE2 MET A 76 36.015 21.643 -13.573 1.00 0.00 H new ATOM 0 HE3 MET A 76 36.834 20.063 -13.600 1.00 0.00 H new ATOM 1183 N TRP A 77 38.176 23.522 -10.187 1.00 0.00 N ATOM 1184 CA TRP A 77 38.269 24.892 -10.679 1.00 0.00 C ATOM 1185 C TRP A 77 39.284 25.693 -9.871 1.00 0.00 C ATOM 1186 O TRP A 77 39.756 25.241 -8.828 1.00 0.00 O ATOM 1187 CB TRP A 77 36.900 25.572 -10.618 1.00 0.00 C ATOM 1188 CG TRP A 77 35.806 24.760 -11.242 1.00 0.00 C ATOM 1189 CD1 TRP A 77 35.059 23.789 -10.638 1.00 0.00 C ATOM 1190 CD2 TRP A 77 35.337 24.848 -12.592 1.00 0.00 C ATOM 1191 NE1 TRP A 77 34.154 23.268 -11.532 1.00 0.00 N ATOM 1192 CE2 TRP A 77 34.304 23.901 -12.737 1.00 0.00 C ATOM 1193 CE3 TRP A 77 35.688 25.635 -13.692 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 33.621 23.722 -13.937 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 35.010 25.456 -14.883 1.00 0.00 C ATOM 1196 CH2 TRP A 77 33.986 24.507 -14.998 1.00 0.00 C ATOM 0 H TRP A 77 37.354 23.335 -9.612 1.00 0.00 H new ATOM 0 HA TRP A 77 38.604 24.857 -11.716 1.00 0.00 H new ATOM 0 HB2 TRP A 77 36.647 25.770 -9.577 1.00 0.00 H new ATOM 0 HB3 TRP A 77 36.959 26.537 -11.121 1.00 0.00 H new ATOM 0 HD1 TRP A 77 35.164 23.477 -9.610 1.00 0.00 H new ATOM 0 HE1 TRP A 77 33.480 22.530 -11.330 1.00 0.00 H new ATOM 0 HE3 TRP A 77 36.475 26.370 -13.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 32.832 22.990 -14.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 35.274 26.058 -15.740 1.00 0.00 H new ATOM 0 HH2 TRP A 77 33.474 24.392 -15.942 1.00 0.00 H new ATOM 1207 N ARG A 78 39.616 26.884 -10.360 1.00 0.00 N ATOM 1208 CA ARG A 78 40.577 27.747 -9.683 1.00 0.00 C ATOM 1209 C ARG A 78 39.862 28.817 -8.863 1.00 0.00 C ATOM 1210 O ARG A 78 40.183 29.035 -7.695 1.00 0.00 O ATOM 1211 CB ARG A 78 41.508 28.406 -10.702 1.00 0.00 C ATOM 1212 CG ARG A 78 42.584 29.275 -10.071 1.00 0.00 C ATOM 1213 CD ARG A 78 43.409 29.995 -11.126 1.00 0.00 C ATOM 1214 NE ARG A 78 42.588 30.869 -11.960 1.00 0.00 N ATOM 1215 CZ ARG A 78 43.055 31.953 -12.569 1.00 0.00 C ATOM 1216 NH1 ARG A 78 44.329 32.295 -12.439 1.00 0.00 N ATOM 1217 NH2 ARG A 78 42.246 32.698 -13.312 1.00 0.00 N ATOM 0 H ARG A 78 39.234 27.273 -11.222 1.00 0.00 H new ATOM 0 HA ARG A 78 41.169 27.131 -9.006 1.00 0.00 H new ATOM 0 HB2 ARG A 78 41.985 27.630 -11.301 1.00 0.00 H new ATOM 0 HB3 ARG A 78 40.914 29.015 -11.383 1.00 0.00 H new ATOM 0 HG2 ARG A 78 42.121 30.006 -9.409 1.00 0.00 H new ATOM 0 HG3 ARG A 78 43.238 28.657 -9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 78 44.186 30.584 -10.639 1.00 0.00 H new ATOM 0 HD3 ARG A 78 43.913 29.261 -11.756 1.00 0.00 H new ATOM 0 HE ARG A 78 41.603 30.634 -12.081 1.00 0.00 H new ATOM 0 HH11 ARG A 78 44.955 31.725 -11.870 1.00 0.00 H new ATOM 0 HH12 ARG A 78 44.684 33.128 -12.908 1.00 0.00 H new ATOM 0 HH21 ARG A 78 41.265 32.438 -13.416 1.00 0.00 H new ATOM 0 HH22 ARG A 78 42.605 33.530 -13.779 1.00 0.00 H new ATOM 1231 N ASP A 79 38.894 29.482 -9.483 1.00 0.00 N ATOM 1232 CA ASP A 79 38.133 30.529 -8.811 1.00 0.00 C ATOM 1233 C ASP A 79 37.488 29.998 -7.535 1.00 0.00 C ATOM 1234 O ASP A 79 37.599 30.608 -6.471 1.00 0.00 O ATOM 1235 CB ASP A 79 37.060 31.089 -9.745 1.00 0.00 C ATOM 1236 CG ASP A 79 35.881 30.148 -9.902 1.00 0.00 C ATOM 1237 OD1 ASP A 79 36.018 29.143 -10.629 1.00 0.00 O ATOM 1238 OD2 ASP A 79 34.822 30.418 -9.298 1.00 0.00 O ATOM 0 H ASP A 79 38.617 29.315 -10.450 1.00 0.00 H new ATOM 0 HA ASP A 79 38.823 31.329 -8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.709 32.046 -9.358 1.00 0.00 H new ATOM 0 HB3 ASP A 79 37.499 31.283 -10.724 1.00 0.00 H new ATOM 1243 N SER A 80 36.814 28.858 -7.649 1.00 0.00 N ATOM 1244 CA SER A 80 36.146 28.248 -6.505 1.00 0.00 C ATOM 1245 C SER A 80 37.153 27.891 -5.415 1.00 0.00 C ATOM 1246 O SER A 80 36.897 28.092 -4.228 1.00 0.00 O ATOM 1247 CB SER A 80 35.385 26.995 -6.941 1.00 0.00 C ATOM 1248 OG SER A 80 34.197 27.335 -7.635 1.00 0.00 O ATOM 0 H SER A 80 36.716 28.338 -8.521 1.00 0.00 H new ATOM 0 HA SER A 80 35.439 28.972 -6.100 1.00 0.00 H new ATOM 0 HB2 SER A 80 36.021 26.384 -7.581 1.00 0.00 H new ATOM 0 HB3 SER A 80 35.139 26.392 -6.067 1.00 0.00 H new ATOM 0 HG SER A 80 33.730 26.517 -7.904 1.00 0.00 H new ATOM 1254 N PHE A 81 38.299 27.361 -5.828 1.00 0.00 N ATOM 1255 CA PHE A 81 39.345 26.975 -4.888 1.00 0.00 C ATOM 1256 C PHE A 81 39.752 28.156 -4.011 1.00 0.00 C ATOM 1257 O PHE A 81 39.602 28.117 -2.790 1.00 0.00 O ATOM 1258 CB PHE A 81 40.566 26.441 -5.642 1.00 0.00 C ATOM 1259 CG PHE A 81 41.818 26.415 -4.813 1.00 0.00 C ATOM 1260 CD1 PHE A 81 41.869 25.686 -3.635 1.00 0.00 C ATOM 1261 CD2 PHE A 81 42.943 27.118 -5.211 1.00 0.00 C ATOM 1262 CE1 PHE A 81 43.020 25.660 -2.870 1.00 0.00 C ATOM 1263 CE2 PHE A 81 44.097 27.095 -4.450 1.00 0.00 C ATOM 1264 CZ PHE A 81 44.135 26.366 -3.277 1.00 0.00 C ATOM 0 H PHE A 81 38.527 27.189 -6.807 1.00 0.00 H new ATOM 0 HA PHE A 81 38.949 26.188 -4.246 1.00 0.00 H new ATOM 0 HB2 PHE A 81 40.352 25.432 -5.995 1.00 0.00 H new ATOM 0 HB3 PHE A 81 40.737 27.058 -6.524 1.00 0.00 H new ATOM 0 HD1 PHE A 81 41.000 25.132 -3.311 1.00 0.00 H new ATOM 0 HD2 PHE A 81 42.918 27.691 -6.126 1.00 0.00 H new ATOM 0 HE1 PHE A 81 43.047 25.088 -1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 81 44.968 27.646 -4.772 1.00 0.00 H new ATOM 0 HZ PHE A 81 45.035 26.348 -2.680 1.00 0.00 H new ATOM 1274 N HIS A 82 40.267 29.205 -4.644 1.00 0.00 N ATOM 1275 CA HIS A 82 40.695 30.398 -3.922 1.00 0.00 C ATOM 1276 C HIS A 82 39.540 30.993 -3.122 1.00 0.00 C ATOM 1277 O HIS A 82 39.690 31.315 -1.943 1.00 0.00 O ATOM 1278 CB HIS A 82 41.246 31.440 -4.896 1.00 0.00 C ATOM 1279 CG HIS A 82 42.658 31.176 -5.321 1.00 0.00 C ATOM 1280 ND1 HIS A 82 42.998 30.778 -6.596 1.00 0.00 N ATOM 1281 CD2 HIS A 82 43.819 31.256 -4.630 1.00 0.00 C ATOM 1282 CE1 HIS A 82 44.308 30.624 -6.672 1.00 0.00 C ATOM 1283 NE2 HIS A 82 44.830 30.908 -5.492 1.00 0.00 N ATOM 0 H HIS A 82 40.398 29.253 -5.654 1.00 0.00 H new ATOM 0 HA HIS A 82 41.484 30.108 -3.228 1.00 0.00 H new ATOM 0 HB2 HIS A 82 40.609 31.471 -5.780 1.00 0.00 H new ATOM 0 HB3 HIS A 82 41.194 32.424 -4.430 1.00 0.00 H new ATOM 0 HD2 HIS A 82 43.930 31.540 -3.594 1.00 0.00 H new ATOM 0 HE1 HIS A 82 44.858 30.318 -7.549 1.00 0.00 H new ATOM 0 HE2 HIS A 82 45.822 30.874 -5.259 1.00 0.00 H new ATOM 1291 N ARG A 83 38.389 31.137 -3.771 1.00 0.00 N ATOM 1292 CA ARG A 83 37.210 31.695 -3.121 1.00 0.00 C ATOM 1293 C ARG A 83 36.915 30.967 -1.812 1.00 0.00 C ATOM 1294 O ARG A 83 36.776 31.592 -0.760 1.00 0.00 O ATOM 1295 CB ARG A 83 35.998 31.605 -4.050 1.00 0.00 C ATOM 1296 CG ARG A 83 34.709 32.105 -3.420 1.00 0.00 C ATOM 1297 CD ARG A 83 33.596 32.226 -4.450 1.00 0.00 C ATOM 1298 NE ARG A 83 32.399 32.849 -3.891 1.00 0.00 N ATOM 1299 CZ ARG A 83 31.473 33.453 -4.627 1.00 0.00 C ATOM 1300 NH1 ARG A 83 31.606 33.516 -5.945 1.00 0.00 N ATOM 1301 NH2 ARG A 83 30.411 33.996 -4.046 1.00 0.00 N ATOM 0 H ARG A 83 38.248 30.875 -4.747 1.00 0.00 H new ATOM 0 HA ARG A 83 37.411 32.743 -2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 83 36.199 32.182 -4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 83 35.863 30.568 -4.358 1.00 0.00 H new ATOM 0 HG2 ARG A 83 34.401 31.422 -2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 83 34.883 33.075 -2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 83 33.949 32.814 -5.298 1.00 0.00 H new ATOM 0 HD3 ARG A 83 33.345 31.236 -4.831 1.00 0.00 H new ATOM 0 HE ARG A 83 32.267 32.819 -2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 83 32.421 33.100 -6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 83 30.893 33.980 -6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 83 30.305 33.950 -3.033 1.00 0.00 H new ATOM 0 HH22 ARG A 83 29.701 34.460 -4.613 1.00 0.00 H new ATOM 1315 N HIS A 84 36.822 29.644 -1.885 1.00 0.00 N ATOM 1316 CA HIS A 84 36.544 28.831 -0.706 1.00 0.00 C ATOM 1317 C HIS A 84 37.675 28.944 0.311 1.00 0.00 C ATOM 1318 O HIS A 84 37.459 29.352 1.453 1.00 0.00 O ATOM 1319 CB HIS A 84 36.345 27.368 -1.104 1.00 0.00 C ATOM 1320 CG HIS A 84 36.636 26.401 0.002 1.00 0.00 C ATOM 1321 ND1 HIS A 84 37.811 25.995 0.537 1.00 0.00 N flip ATOM 1322 CD2 HIS A 84 35.650 25.727 0.691 1.00 0.00 C flip ATOM 1323 CE1 HIS A 84 37.517 25.094 1.530 1.00 0.00 C flip ATOM 1324 NE2 HIS A 84 36.206 24.950 1.603 1.00 0.00 N flip ATOM 0 H HIS A 84 36.935 29.111 -2.748 1.00 0.00 H new ATOM 0 HA HIS A 84 35.628 29.203 -0.247 1.00 0.00 H new ATOM 0 HB2 HIS A 84 35.317 27.227 -1.437 1.00 0.00 H new ATOM 0 HB3 HIS A 84 36.989 27.140 -1.953 1.00 0.00 H new ATOM 0 HD2 HIS A 84 34.589 25.820 0.513 1.00 0.00 H new ATOM 0 HE1 HIS A 84 38.240 24.586 2.151 1.00 0.00 H new ATOM 0 HE2 HIS A 84 35.708 24.342 2.253 1.00 0.00 H new ATOM 1332 N VAL A 85 38.882 28.580 -0.110 1.00 0.00 N ATOM 1333 CA VAL A 85 40.048 28.641 0.763 1.00 0.00 C ATOM 1334 C VAL A 85 40.094 29.960 1.526 1.00 0.00 C ATOM 1335 O VAL A 85 40.466 29.999 2.700 1.00 0.00 O ATOM 1336 CB VAL A 85 41.356 28.475 -0.033 1.00 0.00 C ATOM 1337 CG1 VAL A 85 42.556 28.489 0.902 1.00 0.00 C ATOM 1338 CG2 VAL A 85 41.322 27.193 -0.851 1.00 0.00 C ATOM 0 H VAL A 85 39.078 28.239 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 85 39.956 27.817 1.471 1.00 0.00 H new ATOM 0 HB VAL A 85 41.452 29.315 -0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 85 43.471 28.370 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 85 42.587 29.437 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 85 42.471 27.670 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 85 42.254 27.091 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 85 41.202 26.339 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 85 40.485 27.229 -1.549 1.00 0.00 H new ATOM 1348 N THR A 86 39.713 31.041 0.852 1.00 0.00 N ATOM 1349 CA THR A 86 39.712 32.363 1.466 1.00 0.00 C ATOM 1350 C THR A 86 38.816 32.396 2.699 1.00 0.00 C ATOM 1351 O THR A 86 39.255 32.769 3.787 1.00 0.00 O ATOM 1352 CB THR A 86 39.240 33.442 0.474 1.00 0.00 C ATOM 1353 OG1 THR A 86 40.086 33.450 -0.681 1.00 0.00 O ATOM 1354 CG2 THR A 86 39.249 34.817 1.125 1.00 0.00 C ATOM 0 H THR A 86 39.401 31.027 -0.119 1.00 0.00 H new ATOM 0 HA THR A 86 40.740 32.575 1.761 1.00 0.00 H new ATOM 0 HB THR A 86 38.219 33.206 0.174 1.00 0.00 H new ATOM 0 HG1 THR A 86 39.760 32.791 -1.330 1.00 0.00 H new ATOM 0 HG21 THR A 86 38.912 35.563 0.405 1.00 0.00 H new ATOM 0 HG22 THR A 86 38.581 34.816 1.986 1.00 0.00 H new ATOM 0 HG23 THR A 86 40.261 35.059 1.451 1.00 0.00 H new ATOM 1362 N SER A 87 37.559 32.002 2.522 1.00 0.00 N ATOM 1363 CA SER A 87 36.600 31.989 3.621 1.00 0.00 C ATOM 1364 C SER A 87 36.891 30.841 4.582 1.00 0.00 C ATOM 1365 O SER A 87 36.485 30.871 5.745 1.00 0.00 O ATOM 1366 CB SER A 87 35.174 31.868 3.080 1.00 0.00 C ATOM 1367 OG SER A 87 34.975 30.619 2.442 1.00 0.00 O ATOM 0 H SER A 87 37.181 31.688 1.628 1.00 0.00 H new ATOM 0 HA SER A 87 36.696 32.928 4.165 1.00 0.00 H new ATOM 0 HB2 SER A 87 34.461 31.980 3.897 1.00 0.00 H new ATOM 0 HB3 SER A 87 34.980 32.676 2.374 1.00 0.00 H new ATOM 0 HG SER A 87 35.839 30.256 2.156 1.00 0.00 H new ATOM 1373 N CYS A 88 37.597 29.829 4.089 1.00 0.00 N ATOM 1374 CA CYS A 88 37.942 28.669 4.902 1.00 0.00 C ATOM 1375 C CYS A 88 39.029 29.019 5.914 1.00 0.00 C ATOM 1376 O CYS A 88 39.292 28.261 6.849 1.00 0.00 O ATOM 1377 CB CYS A 88 38.412 27.518 4.011 1.00 0.00 C ATOM 1378 SG CYS A 88 38.385 25.889 4.826 1.00 0.00 S ATOM 0 H CYS A 88 37.942 29.789 3.130 1.00 0.00 H new ATOM 0 HA CYS A 88 37.050 28.358 5.445 1.00 0.00 H new ATOM 0 HB2 CYS A 88 37.781 27.479 3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 88 39.427 27.726 3.672 1.00 0.00 H new ATOM 0 HG CYS A 88 38.743 26.020 6.069 1.00 0.00 H new ATOM 1383 N THR A 89 39.660 30.174 5.722 1.00 0.00 N ATOM 1384 CA THR A 89 40.719 30.625 6.616 1.00 0.00 C ATOM 1385 C THR A 89 40.151 31.436 7.775 1.00 0.00 C ATOM 1386 O THR A 89 40.523 31.232 8.931 1.00 0.00 O ATOM 1387 CB THR A 89 41.760 31.478 5.869 1.00 0.00 C ATOM 1388 OG1 THR A 89 42.226 30.778 4.709 1.00 0.00 O ATOM 1389 CG2 THR A 89 42.937 31.811 6.773 1.00 0.00 C ATOM 0 H THR A 89 39.455 30.814 4.955 1.00 0.00 H new ATOM 0 HA THR A 89 41.206 29.731 7.005 1.00 0.00 H new ATOM 0 HB THR A 89 41.282 32.409 5.564 1.00 0.00 H new ATOM 0 HG1 THR A 89 41.484 30.657 4.080 1.00 0.00 H new ATOM 0 HG21 THR A 89 43.659 32.414 6.223 1.00 0.00 H new ATOM 0 HG22 THR A 89 42.583 32.369 7.640 1.00 0.00 H new ATOM 0 HG23 THR A 89 43.413 30.888 7.105 1.00 0.00 H new ATOM 1397 N LYS A 90 39.247 32.357 7.460 1.00 0.00 N ATOM 1398 CA LYS A 90 38.625 33.199 8.475 1.00 0.00 C ATOM 1399 C LYS A 90 38.273 32.385 9.716 1.00 0.00 C ATOM 1400 O LYS A 90 38.493 32.827 10.843 1.00 0.00 O ATOM 1401 CB LYS A 90 37.367 33.865 7.914 1.00 0.00 C ATOM 1402 CG LYS A 90 37.638 35.183 7.210 1.00 0.00 C ATOM 1403 CD LYS A 90 38.684 35.028 6.119 1.00 0.00 C ATOM 1404 CE LYS A 90 38.685 36.220 5.174 1.00 0.00 C ATOM 1405 NZ LYS A 90 37.574 36.145 4.185 1.00 0.00 N ATOM 0 H LYS A 90 38.928 32.540 6.508 1.00 0.00 H new ATOM 0 HA LYS A 90 39.340 33.971 8.760 1.00 0.00 H new ATOM 0 HB2 LYS A 90 36.886 33.182 7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 90 36.663 34.036 8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 90 36.712 35.562 6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 90 37.976 35.922 7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 90 39.670 34.920 6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 90 38.491 34.115 5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 90 38.596 37.141 5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 90 39.638 36.265 4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 37.775 36.782 3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 37.486 35.170 3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 36.684 36.431 4.641 1.00 0.00 H new ATOM 1419 N SER A 91 37.725 31.193 9.500 1.00 0.00 N ATOM 1420 CA SER A 91 37.340 30.319 10.601 1.00 0.00 C ATOM 1421 C SER A 91 38.570 29.805 11.343 1.00 0.00 C ATOM 1422 O SER A 91 38.571 29.702 12.570 1.00 0.00 O ATOM 1423 CB SER A 91 36.516 29.139 10.080 1.00 0.00 C ATOM 1424 OG SER A 91 35.202 29.546 9.740 1.00 0.00 O ATOM 0 H SER A 91 37.538 30.811 8.573 1.00 0.00 H new ATOM 0 HA SER A 91 36.733 30.899 11.296 1.00 0.00 H new ATOM 0 HB2 SER A 91 37.004 28.708 9.206 1.00 0.00 H new ATOM 0 HB3 SER A 91 36.473 28.358 10.839 1.00 0.00 H new ATOM 0 HG SER A 91 34.696 28.775 9.408 1.00 0.00 H new ATOM 1430 N TYR A 92 39.617 29.485 10.590 1.00 0.00 N ATOM 1431 CA TYR A 92 40.853 28.981 11.175 1.00 0.00 C ATOM 1432 C TYR A 92 41.503 30.033 12.069 1.00 0.00 C ATOM 1433 O TYR A 92 41.881 29.749 13.205 1.00 0.00 O ATOM 1434 CB TYR A 92 41.828 28.559 10.073 1.00 0.00 C ATOM 1435 CG TYR A 92 43.131 28.001 10.599 1.00 0.00 C ATOM 1436 CD1 TYR A 92 44.107 28.840 11.124 1.00 0.00 C ATOM 1437 CD2 TYR A 92 43.387 26.636 10.570 1.00 0.00 C ATOM 1438 CE1 TYR A 92 45.300 28.335 11.605 1.00 0.00 C ATOM 1439 CE2 TYR A 92 44.576 26.122 11.050 1.00 0.00 C ATOM 1440 CZ TYR A 92 45.529 26.975 11.566 1.00 0.00 C ATOM 1441 OH TYR A 92 46.716 26.467 12.044 1.00 0.00 O ATOM 0 H TYR A 92 39.634 29.566 9.573 1.00 0.00 H new ATOM 0 HA TYR A 92 40.608 28.113 11.787 1.00 0.00 H new ATOM 0 HB2 TYR A 92 41.349 27.809 9.443 1.00 0.00 H new ATOM 0 HB3 TYR A 92 42.041 29.419 9.438 1.00 0.00 H new ATOM 0 HD1 TYR A 92 43.930 29.905 11.157 1.00 0.00 H new ATOM 0 HD2 TYR A 92 42.644 25.965 10.165 1.00 0.00 H new ATOM 0 HE1 TYR A 92 46.048 29.001 12.009 1.00 0.00 H new ATOM 0 HE2 TYR A 92 44.758 25.058 11.021 1.00 0.00 H new ATOM 0 HH TYR A 92 46.718 25.492 11.945 1.00 0.00 H new ATOM 1451 N GLU A 93 41.627 31.249 11.546 1.00 0.00 N ATOM 1452 CA GLU A 93 42.230 32.344 12.297 1.00 0.00 C ATOM 1453 C GLU A 93 41.555 32.510 13.655 1.00 0.00 C ATOM 1454 O GLU A 93 42.206 32.832 14.649 1.00 0.00 O ATOM 1455 CB GLU A 93 42.133 33.649 11.504 1.00 0.00 C ATOM 1456 CG GLU A 93 43.209 33.797 10.441 1.00 0.00 C ATOM 1457 CD GLU A 93 43.248 35.189 9.840 1.00 0.00 C ATOM 1458 OE1 GLU A 93 42.200 35.867 9.844 1.00 0.00 O ATOM 1459 OE2 GLU A 93 44.328 35.599 9.366 1.00 0.00 O ATOM 0 H GLU A 93 41.318 31.500 10.607 1.00 0.00 H new ATOM 0 HA GLU A 93 43.280 32.103 12.460 1.00 0.00 H new ATOM 0 HB2 GLU A 93 41.154 33.703 11.028 1.00 0.00 H new ATOM 0 HB3 GLU A 93 42.198 34.490 12.195 1.00 0.00 H new ATOM 0 HG2 GLU A 93 44.181 33.567 10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 93 43.035 33.068 9.649 1.00 0.00 H new