USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 34 GLN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 36 SER OG : rot -75:sc= 1.25 USER MOD Single : A 42 THR OG1 : rot 101:sc= 1.2 USER MOD Single : A 44 CYS SG : rot 113:sc= -0.0799 USER MOD Single : A 46 SER OG : rot 86:sc= 0.368 USER MOD Single : A 47 THR OG1 : rot -78:sc= 1.25 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0617 USER MOD Single : A 57 CYS SG : rot -64:sc= -0.154 USER MOD Single : A 58 GLN : amide:sc= -2.88! C(o=-2.9!,f=-1.5!) USER MOD Single : A 63 ASN : amide:sc= 0.0178 X(o=0.018,f=0) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0586 K(o=-0.059,f=-0.72) USER MOD Single : A 78 CYS SG : rot 84:sc= 0.89 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 82 CYS SG : rot 50:sc= -1.48 USER MOD Single : A 87 ASN : amide:sc= -2.87! K(o=-2.9!,f=-0.057) USER MOD Single : A 88 LYS NZ :NH3+ -159:sc= -0.859 (180deg=-1.96) USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= -0.0993 (180deg=-0.427) USER MOD Single : A 93 LYS NZ :NH3+ -140:sc= 0.403 (180deg=-1.87!) USER MOD Single : A 97 ASN : amide:sc= -0.456 X(o=-0.46,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -168:sc= -0.0193 (180deg=-0.226) USER MOD Single : A 99 MET CE :methyl -169:sc= -0.0379 (180deg=-0.247) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -7.147 -6.177 8.249 1.00 0.00 N ATOM 143 CA GLN A 34 -6.835 -7.593 8.411 1.00 0.00 C ATOM 144 C GLN A 34 -5.793 -8.049 7.393 1.00 0.00 C ATOM 145 O GLN A 34 -5.445 -9.229 7.336 1.00 0.00 O ATOM 146 CB GLN A 34 -8.105 -8.436 8.273 1.00 0.00 C ATOM 147 CG GLN A 34 -8.838 -8.225 6.958 1.00 0.00 C ATOM 148 CD GLN A 34 -10.069 -9.103 6.825 1.00 0.00 C ATOM 149 OE1 GLN A 34 -10.444 -9.503 5.723 1.00 0.00 O ATOM 150 NE2 GLN A 34 -10.709 -9.404 7.951 1.00 0.00 N ATOM 0 HA GLN A 34 -6.420 -7.732 9.409 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.843 -9.490 8.368 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.779 -8.200 9.097 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.132 -7.179 6.875 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.159 -8.432 6.131 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.364 -9.051 8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.545 -9.988 7.922 1.00 0.00 H new ATOM 159 N TRP A 35 -5.297 -7.110 6.593 1.00 0.00 N ATOM 160 CA TRP A 35 -4.292 -7.421 5.582 1.00 0.00 C ATOM 161 C TRP A 35 -2.972 -7.823 6.227 1.00 0.00 C ATOM 162 O TRP A 35 -2.550 -7.234 7.223 1.00 0.00 O ATOM 163 CB TRP A 35 -4.072 -6.221 4.657 1.00 0.00 C ATOM 164 CG TRP A 35 -5.059 -6.137 3.529 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.263 -6.776 3.437 1.00 0.00 C ATOM 166 CD2 TRP A 35 -4.922 -5.365 2.329 1.00 0.00 C ATOM 167 NE1 TRP A 35 -6.881 -6.451 2.255 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.079 -5.586 1.557 1.00 0.00 C ATOM 169 CE3 TRP A 35 -3.934 -4.509 1.832 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.273 -4.982 0.317 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.129 -3.911 0.601 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.291 -4.150 -0.144 1.00 0.00 C ATOM 0 H TRP A 35 -5.574 -6.129 6.625 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.661 -8.262 4.994 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.128 -5.305 5.246 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.065 -6.273 4.243 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.670 -7.440 4.185 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.789 -6.797 1.946 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.035 -4.319 2.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.168 -5.164 -0.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.373 -3.248 0.207 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.414 -3.667 -1.102 1.00 0.00 H new ATOM 183 N SER A 36 -2.326 -8.831 5.652 1.00 0.00 N ATOM 184 CA SER A 36 -1.049 -9.311 6.163 1.00 0.00 C ATOM 185 C SER A 36 0.101 -8.760 5.327 1.00 0.00 C ATOM 186 O SER A 36 -0.115 -7.987 4.395 1.00 0.00 O ATOM 187 CB SER A 36 -1.013 -10.841 6.161 1.00 0.00 C ATOM 188 OG SER A 36 -1.133 -11.353 4.845 1.00 0.00 O ATOM 0 H SER A 36 -2.667 -9.332 4.831 1.00 0.00 H new ATOM 0 HA SER A 36 -0.936 -8.959 7.189 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.079 -11.186 6.605 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.823 -11.228 6.780 1.00 0.00 H new ATOM 0 HG SER A 36 -2.061 -11.264 4.543 1.00 0.00 H new ATOM 194 N VAL A 37 1.320 -9.162 5.664 1.00 0.00 N ATOM 195 CA VAL A 37 2.502 -8.703 4.944 1.00 0.00 C ATOM 196 C VAL A 37 2.444 -9.100 3.470 1.00 0.00 C ATOM 197 O VAL A 37 2.877 -8.347 2.599 1.00 0.00 O ATOM 198 CB VAL A 37 3.793 -9.265 5.572 1.00 0.00 C ATOM 199 CG1 VAL A 37 5.013 -8.857 4.760 1.00 0.00 C ATOM 200 CG2 VAL A 37 3.929 -8.798 7.013 1.00 0.00 C ATOM 0 H VAL A 37 1.516 -9.805 6.431 1.00 0.00 H new ATOM 0 HA VAL A 37 2.515 -7.616 5.018 1.00 0.00 H new ATOM 0 HB VAL A 37 3.730 -10.353 5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.911 -9.265 5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.920 -9.243 3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.083 -7.770 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.845 -9.203 7.442 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.966 -7.709 7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.073 -9.146 7.591 1.00 0.00 H new ATOM 210 N ASP A 38 1.901 -10.282 3.198 1.00 0.00 N ATOM 211 CA ASP A 38 1.797 -10.779 1.829 1.00 0.00 C ATOM 212 C ASP A 38 0.720 -10.035 1.042 1.00 0.00 C ATOM 213 O ASP A 38 0.844 -9.850 -0.169 1.00 0.00 O ATOM 214 CB ASP A 38 1.493 -12.278 1.833 1.00 0.00 C ATOM 215 CG ASP A 38 1.355 -12.842 0.432 1.00 0.00 C ATOM 216 OD1 ASP A 38 2.387 -13.230 -0.155 1.00 0.00 O ATOM 217 OD2 ASP A 38 0.216 -12.896 -0.077 1.00 0.00 O ATOM 0 H ASP A 38 1.526 -10.914 3.906 1.00 0.00 H new ATOM 0 HA ASP A 38 2.755 -10.603 1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.289 -12.806 2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.572 -12.458 2.387 1.00 0.00 H new ATOM 222 N ASP A 39 -0.332 -9.608 1.733 1.00 0.00 N ATOM 223 CA ASP A 39 -1.432 -8.897 1.088 1.00 0.00 C ATOM 224 C ASP A 39 -1.060 -7.450 0.777 1.00 0.00 C ATOM 225 O ASP A 39 -1.364 -6.941 -0.302 1.00 0.00 O ATOM 226 CB ASP A 39 -2.679 -8.931 1.974 1.00 0.00 C ATOM 227 CG ASP A 39 -3.176 -10.342 2.218 1.00 0.00 C ATOM 228 OD1 ASP A 39 -3.437 -11.060 1.230 1.00 0.00 O ATOM 229 OD2 ASP A 39 -3.308 -10.729 3.398 1.00 0.00 O ATOM 0 H ASP A 39 -0.447 -9.741 2.738 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.642 -9.403 0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.455 -8.457 2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.470 -8.346 1.506 1.00 0.00 H new ATOM 234 N VAL A 40 -0.401 -6.793 1.725 1.00 0.00 N ATOM 235 CA VAL A 40 0.002 -5.402 1.552 1.00 0.00 C ATOM 236 C VAL A 40 1.051 -5.256 0.453 1.00 0.00 C ATOM 237 O VAL A 40 0.944 -4.379 -0.402 1.00 0.00 O ATOM 238 CB VAL A 40 0.552 -4.809 2.866 1.00 0.00 C ATOM 239 CG1 VAL A 40 0.999 -3.369 2.663 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.494 -4.896 3.967 1.00 0.00 C ATOM 0 H VAL A 40 -0.134 -7.201 2.621 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.892 -4.850 1.261 1.00 0.00 H new ATOM 0 HB VAL A 40 1.421 -5.394 3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.383 -2.971 3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.783 -3.335 1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.151 -2.768 2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.090 -4.473 4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.382 -4.337 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.761 -5.940 4.134 1.00 0.00 H new ATOM 250 N ILE A 41 2.060 -6.121 0.479 1.00 0.00 N ATOM 251 CA ILE A 41 3.134 -6.079 -0.512 1.00 0.00 C ATOM 252 C ILE A 41 2.618 -6.375 -1.919 1.00 0.00 C ATOM 253 O ILE A 41 2.792 -5.569 -2.833 1.00 0.00 O ATOM 254 CB ILE A 41 4.254 -7.082 -0.164 1.00 0.00 C ATOM 255 CG1 ILE A 41 4.909 -6.704 1.165 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.293 -7.132 -1.276 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.894 -7.737 1.670 1.00 0.00 C ATOM 0 H ILE A 41 2.158 -6.860 1.175 1.00 0.00 H new ATOM 0 HA ILE A 41 3.536 -5.066 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 41 3.812 -8.074 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.423 -5.750 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.132 -6.558 1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.074 -7.845 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.816 -7.444 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.733 -6.143 -1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.319 -7.402 2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.381 -8.687 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.692 -7.866 0.939 1.00 0.00 H new ATOM 269 N THR A 42 1.991 -7.536 -2.085 1.00 0.00 N ATOM 270 CA THR A 42 1.462 -7.947 -3.384 1.00 0.00 C ATOM 271 C THR A 42 0.615 -6.851 -4.026 1.00 0.00 C ATOM 272 O THR A 42 0.944 -6.359 -5.105 1.00 0.00 O ATOM 273 CB THR A 42 0.616 -9.229 -3.263 1.00 0.00 C ATOM 274 OG1 THR A 42 1.418 -10.299 -2.750 1.00 0.00 O ATOM 275 CG2 THR A 42 0.035 -9.629 -4.613 1.00 0.00 C ATOM 0 H THR A 42 1.836 -8.210 -1.336 1.00 0.00 H new ATOM 0 HA THR A 42 2.325 -8.141 -4.020 1.00 0.00 H new ATOM 0 HB THR A 42 -0.207 -9.028 -2.577 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.230 -10.420 -1.796 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.558 -10.537 -4.500 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.599 -8.826 -4.988 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.846 -9.811 -5.319 1.00 0.00 H new ATOM 283 N TRP A 43 -0.476 -6.476 -3.363 1.00 0.00 N ATOM 284 CA TRP A 43 -1.368 -5.443 -3.883 1.00 0.00 C ATOM 285 C TRP A 43 -0.602 -4.160 -4.196 1.00 0.00 C ATOM 286 O TRP A 43 -0.785 -3.562 -5.257 1.00 0.00 O ATOM 287 CB TRP A 43 -2.487 -5.147 -2.880 1.00 0.00 C ATOM 288 CG TRP A 43 -3.411 -4.057 -3.332 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.585 -4.205 -4.014 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.234 -2.649 -3.139 1.00 0.00 C ATOM 291 NE1 TRP A 43 -5.147 -2.975 -4.258 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.335 -2.004 -3.731 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.249 -1.871 -2.523 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.478 -0.619 -3.725 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.391 -0.497 -2.517 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.497 0.118 -3.114 1.00 0.00 C ATOM 0 H TRP A 43 -0.763 -6.871 -2.467 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.806 -5.818 -4.808 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.064 -6.056 -2.710 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.045 -4.867 -1.924 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.010 -5.151 -4.317 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.025 -2.811 -4.751 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.392 -2.336 -2.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.331 -0.143 -4.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.636 0.113 -2.044 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.579 1.195 -3.093 1.00 0.00 H new ATOM 307 N CYS A 44 0.250 -3.744 -3.265 1.00 0.00 N ATOM 308 CA CYS A 44 1.041 -2.528 -3.431 1.00 0.00 C ATOM 309 C CYS A 44 1.802 -2.534 -4.753 1.00 0.00 C ATOM 310 O CYS A 44 1.502 -1.756 -5.655 1.00 0.00 O ATOM 311 CB CYS A 44 2.024 -2.381 -2.268 1.00 0.00 C ATOM 312 SG CYS A 44 3.187 -1.011 -2.451 1.00 0.00 S ATOM 0 H CYS A 44 0.411 -4.232 -2.384 1.00 0.00 H new ATOM 0 HA CYS A 44 0.355 -1.681 -3.439 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.460 -2.244 -1.345 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.586 -3.309 -2.163 1.00 0.00 H new ATOM 0 HG CYS A 44 2.933 -0.104 -1.555 1.00 0.00 H new ATOM 318 N ILE A 45 2.784 -3.421 -4.853 1.00 0.00 N ATOM 319 CA ILE A 45 3.611 -3.541 -6.051 1.00 0.00 C ATOM 320 C ILE A 45 2.774 -3.685 -7.320 1.00 0.00 C ATOM 321 O ILE A 45 2.962 -2.944 -8.285 1.00 0.00 O ATOM 322 CB ILE A 45 4.552 -4.754 -5.939 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.387 -4.661 -4.661 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.452 -4.841 -7.162 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.199 -5.905 -4.380 1.00 0.00 C ATOM 0 H ILE A 45 3.030 -4.076 -4.111 1.00 0.00 H new ATOM 0 HA ILE A 45 4.190 -2.620 -6.122 1.00 0.00 H new ATOM 0 HB ILE A 45 3.949 -5.661 -5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.060 -3.807 -4.737 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.725 -4.470 -3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.111 -5.704 -7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.840 -4.948 -8.057 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.051 -3.933 -7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.766 -5.769 -3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.530 -6.759 -4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.886 -6.085 -5.206 1.00 0.00 H new ATOM 337 N SER A 46 1.853 -4.642 -7.312 1.00 0.00 N ATOM 338 CA SER A 46 0.998 -4.905 -8.467 1.00 0.00 C ATOM 339 C SER A 46 0.207 -3.669 -8.898 1.00 0.00 C ATOM 340 O SER A 46 -0.376 -3.652 -9.982 1.00 0.00 O ATOM 341 CB SER A 46 0.035 -6.053 -8.160 1.00 0.00 C ATOM 342 OG SER A 46 0.740 -7.254 -7.899 1.00 0.00 O ATOM 0 H SER A 46 1.678 -5.253 -6.514 1.00 0.00 H new ATOM 0 HA SER A 46 1.652 -5.182 -9.294 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.581 -5.795 -7.299 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.641 -6.200 -9.002 1.00 0.00 H new ATOM 0 HG SER A 46 0.991 -7.287 -6.952 1.00 0.00 H new ATOM 348 N THR A 47 0.184 -2.640 -8.056 1.00 0.00 N ATOM 349 CA THR A 47 -0.555 -1.422 -8.377 1.00 0.00 C ATOM 350 C THR A 47 0.289 -0.165 -8.180 1.00 0.00 C ATOM 351 O THR A 47 -0.207 0.948 -8.360 1.00 0.00 O ATOM 352 CB THR A 47 -1.825 -1.293 -7.513 1.00 0.00 C ATOM 353 OG1 THR A 47 -1.464 -1.093 -6.141 1.00 0.00 O ATOM 354 CG2 THR A 47 -2.699 -2.532 -7.632 1.00 0.00 C ATOM 0 H THR A 47 0.663 -2.624 -7.156 1.00 0.00 H new ATOM 0 HA THR A 47 -0.827 -1.506 -9.429 1.00 0.00 H new ATOM 0 HB THR A 47 -2.392 -0.435 -7.874 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.203 -1.950 -5.743 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.587 -2.412 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.998 -2.668 -8.671 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.139 -3.406 -7.298 1.00 0.00 H new ATOM 362 N LEU A 48 1.559 -0.332 -7.820 1.00 0.00 N ATOM 363 CA LEU A 48 2.426 0.820 -7.590 1.00 0.00 C ATOM 364 C LEU A 48 3.230 1.187 -8.833 1.00 0.00 C ATOM 365 O LEU A 48 2.976 2.219 -9.456 1.00 0.00 O ATOM 366 CB LEU A 48 3.370 0.546 -6.414 1.00 0.00 C ATOM 367 CG LEU A 48 3.967 1.792 -5.752 1.00 0.00 C ATOM 368 CD1 LEU A 48 4.324 1.504 -4.303 1.00 0.00 C ATOM 369 CD2 LEU A 48 5.196 2.271 -6.508 1.00 0.00 C ATOM 0 H LEU A 48 2.005 -1.239 -7.683 1.00 0.00 H new ATOM 0 HA LEU A 48 1.785 1.669 -7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.828 -0.023 -5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.186 -0.086 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 48 3.216 2.582 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.747 2.399 -3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.427 1.209 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.055 0.696 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.602 3.157 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.949 1.483 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.919 2.517 -7.533 1.00 0.00 H new ATOM 381 N GLU A 49 4.197 0.350 -9.199 1.00 0.00 N ATOM 382 CA GLU A 49 5.023 0.631 -10.369 1.00 0.00 C ATOM 383 C GLU A 49 5.374 -0.635 -11.148 1.00 0.00 C ATOM 384 O GLU A 49 4.932 -0.821 -12.282 1.00 0.00 O ATOM 385 CB GLU A 49 6.302 1.355 -9.944 1.00 0.00 C ATOM 386 CG GLU A 49 6.865 2.279 -11.013 1.00 0.00 C ATOM 387 CD GLU A 49 7.353 1.533 -12.239 1.00 0.00 C ATOM 388 OE1 GLU A 49 6.526 1.257 -13.134 1.00 0.00 O ATOM 389 OE2 GLU A 49 8.562 1.228 -12.306 1.00 0.00 O ATOM 0 H GLU A 49 4.426 -0.516 -8.711 1.00 0.00 H new ATOM 0 HA GLU A 49 4.440 1.270 -11.033 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.098 1.936 -9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.058 0.615 -9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.097 2.993 -11.310 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.689 2.854 -10.592 1.00 0.00 H new ATOM 396 N VAL A 50 6.173 -1.501 -10.529 1.00 0.00 N ATOM 397 CA VAL A 50 6.616 -2.732 -11.177 1.00 0.00 C ATOM 398 C VAL A 50 5.889 -3.959 -10.638 1.00 0.00 C ATOM 399 O VAL A 50 4.873 -3.845 -9.953 1.00 0.00 O ATOM 400 CB VAL A 50 8.135 -2.929 -10.999 1.00 0.00 C ATOM 401 CG1 VAL A 50 8.898 -1.762 -11.605 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.486 -3.093 -9.527 1.00 0.00 C ATOM 0 H VAL A 50 6.526 -1.373 -9.581 1.00 0.00 H new ATOM 0 HA VAL A 50 6.378 -2.628 -12.236 1.00 0.00 H new ATOM 0 HB VAL A 50 8.427 -3.839 -11.523 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.968 -1.918 -11.470 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.672 -1.693 -12.669 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.601 -0.837 -11.111 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.562 -3.231 -9.423 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.179 -2.202 -8.978 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.968 -3.963 -9.124 1.00 0.00 H new ATOM 412 N GLU A 51 6.422 -5.134 -10.965 1.00 0.00 N ATOM 413 CA GLU A 51 5.848 -6.399 -10.522 1.00 0.00 C ATOM 414 C GLU A 51 6.615 -6.934 -9.319 1.00 0.00 C ATOM 415 O GLU A 51 7.524 -6.274 -8.815 1.00 0.00 O ATOM 416 CB GLU A 51 5.889 -7.421 -11.658 1.00 0.00 C ATOM 417 CG GLU A 51 7.284 -7.637 -12.222 1.00 0.00 C ATOM 418 CD GLU A 51 7.330 -8.739 -13.262 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.434 -9.921 -12.872 1.00 0.00 O ATOM 420 OE2 GLU A 51 7.262 -8.420 -14.468 1.00 0.00 O ATOM 0 H GLU A 51 7.258 -5.235 -11.541 1.00 0.00 H new ATOM 0 HA GLU A 51 4.811 -6.228 -10.233 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.500 -8.372 -11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.228 -7.090 -12.459 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.639 -6.708 -12.667 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.967 -7.882 -11.408 1.00 0.00 H new ATOM 427 N GLU A 52 6.253 -8.129 -8.863 1.00 0.00 N ATOM 428 CA GLU A 52 6.924 -8.729 -7.717 1.00 0.00 C ATOM 429 C GLU A 52 8.277 -9.308 -8.121 1.00 0.00 C ATOM 430 O GLU A 52 8.442 -10.523 -8.234 1.00 0.00 O ATOM 431 CB GLU A 52 6.046 -9.817 -7.096 1.00 0.00 C ATOM 432 CG GLU A 52 4.712 -9.300 -6.584 1.00 0.00 C ATOM 433 CD GLU A 52 3.844 -10.398 -6.002 1.00 0.00 C ATOM 434 OE1 GLU A 52 4.017 -10.721 -4.808 1.00 0.00 O ATOM 435 OE2 GLU A 52 2.991 -10.934 -6.740 1.00 0.00 O ATOM 0 H GLU A 52 5.506 -8.696 -9.265 1.00 0.00 H new ATOM 0 HA GLU A 52 7.094 -7.949 -6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.865 -10.594 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.587 -10.283 -6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.889 -8.540 -5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.178 -8.814 -7.400 1.00 0.00 H new ATOM 442 N THR A 53 9.238 -8.417 -8.346 1.00 0.00 N ATOM 443 CA THR A 53 10.591 -8.806 -8.728 1.00 0.00 C ATOM 444 C THR A 53 11.612 -7.893 -8.063 1.00 0.00 C ATOM 445 O THR A 53 12.600 -8.349 -7.488 1.00 0.00 O ATOM 446 CB THR A 53 10.790 -8.750 -10.254 1.00 0.00 C ATOM 447 OG1 THR A 53 10.467 -7.443 -10.744 1.00 0.00 O ATOM 448 CG2 THR A 53 9.924 -9.786 -10.953 1.00 0.00 C ATOM 0 H THR A 53 9.102 -7.409 -8.269 1.00 0.00 H new ATOM 0 HA THR A 53 10.736 -9.834 -8.395 1.00 0.00 H new ATOM 0 HB THR A 53 11.836 -8.970 -10.468 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.598 -7.416 -11.715 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.083 -9.726 -12.030 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.193 -10.782 -10.601 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.875 -9.593 -10.730 1.00 0.00 H new ATOM 456 N ASP A 54 11.354 -6.593 -8.159 1.00 0.00 N ATOM 457 CA ASP A 54 12.224 -5.578 -7.581 1.00 0.00 C ATOM 458 C ASP A 54 12.330 -5.751 -6.063 1.00 0.00 C ATOM 459 O ASP A 54 11.370 -6.172 -5.417 1.00 0.00 O ATOM 460 CB ASP A 54 11.675 -4.189 -7.927 1.00 0.00 C ATOM 461 CG ASP A 54 12.490 -3.060 -7.327 1.00 0.00 C ATOM 462 OD1 ASP A 54 12.199 -2.661 -6.181 1.00 0.00 O ATOM 463 OD2 ASP A 54 13.419 -2.573 -8.005 1.00 0.00 O ATOM 0 H ASP A 54 10.537 -6.215 -8.639 1.00 0.00 H new ATOM 0 HA ASP A 54 13.225 -5.687 -7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.650 -4.075 -9.011 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.646 -4.113 -7.575 1.00 0.00 H new ATOM 468 N PRO A 55 13.504 -5.440 -5.472 1.00 0.00 N ATOM 469 CA PRO A 55 13.726 -5.560 -4.021 1.00 0.00 C ATOM 470 C PRO A 55 12.711 -4.775 -3.188 1.00 0.00 C ATOM 471 O PRO A 55 12.765 -4.796 -1.958 1.00 0.00 O ATOM 472 CB PRO A 55 15.136 -4.986 -3.814 1.00 0.00 C ATOM 473 CG PRO A 55 15.455 -4.252 -5.074 1.00 0.00 C ATOM 474 CD PRO A 55 14.717 -4.971 -6.162 1.00 0.00 C ATOM 0 HA PRO A 55 13.615 -6.594 -3.694 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.166 -4.319 -2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.860 -5.780 -3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 55 15.140 -3.210 -5.010 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.528 -4.250 -5.265 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.479 -4.310 -6.996 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.298 -5.799 -6.567 1.00 0.00 H new ATOM 482 N LEU A 56 11.795 -4.081 -3.858 1.00 0.00 N ATOM 483 CA LEU A 56 10.769 -3.299 -3.174 1.00 0.00 C ATOM 484 C LEU A 56 10.023 -4.162 -2.159 1.00 0.00 C ATOM 485 O LEU A 56 9.704 -3.710 -1.058 1.00 0.00 O ATOM 486 CB LEU A 56 9.785 -2.719 -4.194 1.00 0.00 C ATOM 487 CG LEU A 56 8.770 -1.719 -3.634 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.455 -0.417 -3.249 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.668 -1.458 -4.650 1.00 0.00 C ATOM 0 H LEU A 56 11.742 -4.044 -4.876 1.00 0.00 H new ATOM 0 HA LEU A 56 11.254 -2.481 -2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.354 -2.229 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.241 -3.542 -4.657 1.00 0.00 H new ATOM 0 HG LEU A 56 8.323 -2.149 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.716 0.280 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.211 -0.614 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.930 0.018 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.954 -0.745 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.103 -1.049 -5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.156 -2.393 -4.880 1.00 0.00 H new ATOM 501 N CYS A 57 9.755 -5.409 -2.537 1.00 0.00 N ATOM 502 CA CYS A 57 9.052 -6.344 -1.665 1.00 0.00 C ATOM 503 C CYS A 57 9.937 -6.764 -0.497 1.00 0.00 C ATOM 504 O CYS A 57 9.450 -7.016 0.604 1.00 0.00 O ATOM 505 CB CYS A 57 8.616 -7.580 -2.455 1.00 0.00 C ATOM 506 SG CYS A 57 9.988 -8.545 -3.130 1.00 0.00 S ATOM 0 H CYS A 57 10.015 -5.796 -3.444 1.00 0.00 H new ATOM 0 HA CYS A 57 8.169 -5.842 -1.270 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.019 -8.221 -1.806 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.969 -7.265 -3.274 1.00 0.00 H new ATOM 0 HG CYS A 57 10.630 -7.832 -4.008 1.00 0.00 H new ATOM 512 N GLN A 58 11.240 -6.837 -0.749 1.00 0.00 N ATOM 513 CA GLN A 58 12.200 -7.228 0.277 1.00 0.00 C ATOM 514 C GLN A 58 12.210 -6.230 1.429 1.00 0.00 C ATOM 515 O GLN A 58 12.322 -6.613 2.594 1.00 0.00 O ATOM 516 CB GLN A 58 13.602 -7.336 -0.327 1.00 0.00 C ATOM 517 CG GLN A 58 14.649 -7.852 0.647 1.00 0.00 C ATOM 518 CD GLN A 58 14.367 -9.266 1.115 1.00 0.00 C ATOM 519 OE1 GLN A 58 14.715 -9.643 2.234 1.00 0.00 O ATOM 520 NE2 GLN A 58 13.734 -10.059 0.257 1.00 0.00 N ATOM 0 H GLN A 58 11.656 -6.630 -1.657 1.00 0.00 H new ATOM 0 HA GLN A 58 11.898 -8.200 0.667 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.565 -7.998 -1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.908 -6.355 -0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.629 -7.820 0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.693 -7.190 1.512 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.464 -9.705 -0.661 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.518 -11.022 0.516 1.00 0.00 H new ATOM 529 N ARG A 59 12.093 -4.948 1.098 1.00 0.00 N ATOM 530 CA ARG A 59 12.095 -3.895 2.106 1.00 0.00 C ATOM 531 C ARG A 59 10.801 -3.912 2.915 1.00 0.00 C ATOM 532 O ARG A 59 10.826 -3.834 4.143 1.00 0.00 O ATOM 533 CB ARG A 59 12.281 -2.528 1.445 1.00 0.00 C ATOM 534 CG ARG A 59 12.734 -1.440 2.407 1.00 0.00 C ATOM 535 CD ARG A 59 14.163 -1.667 2.874 1.00 0.00 C ATOM 536 NE ARG A 59 15.102 -1.692 1.755 1.00 0.00 N ATOM 537 CZ ARG A 59 16.415 -1.521 1.886 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.945 -1.302 3.082 1.00 0.00 N ATOM 539 NH2 ARG A 59 17.198 -1.566 0.818 1.00 0.00 N ATOM 0 H ARG A 59 11.996 -4.614 0.139 1.00 0.00 H new ATOM 0 HA ARG A 59 12.928 -4.078 2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.013 -2.619 0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.340 -2.226 0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.660 -0.468 1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.068 -1.415 3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.448 -0.878 3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.222 -2.609 3.419 1.00 0.00 H new ATOM 0 HE ARG A 59 14.729 -1.850 0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.345 -1.264 3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.952 -1.172 3.177 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.794 -1.732 -0.104 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.205 -1.435 0.918 1.00 0.00 H new ATOM 553 N LEU A 60 9.674 -4.013 2.217 1.00 0.00 N ATOM 554 CA LEU A 60 8.367 -4.039 2.870 1.00 0.00 C ATOM 555 C LEU A 60 8.250 -5.221 3.830 1.00 0.00 C ATOM 556 O LEU A 60 7.865 -5.056 4.988 1.00 0.00 O ATOM 557 CB LEU A 60 7.252 -4.112 1.823 1.00 0.00 C ATOM 558 CG LEU A 60 7.204 -2.947 0.831 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.129 -3.187 -0.219 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.952 -1.635 1.557 1.00 0.00 C ATOM 0 H LEU A 60 9.638 -4.078 1.200 1.00 0.00 H new ATOM 0 HA LEU A 60 8.264 -3.119 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.364 -5.040 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.294 -4.166 2.340 1.00 0.00 H new ATOM 0 HG LEU A 60 8.170 -2.883 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.108 -2.350 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.350 -4.106 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.158 -3.278 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.921 -0.819 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.000 -1.688 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.754 -1.456 2.273 1.00 0.00 H new ATOM 572 N ARG A 61 8.582 -6.412 3.339 1.00 0.00 N ATOM 573 CA ARG A 61 8.507 -7.628 4.144 1.00 0.00 C ATOM 574 C ARG A 61 9.356 -7.511 5.405 1.00 0.00 C ATOM 575 O ARG A 61 8.919 -7.893 6.492 1.00 0.00 O ATOM 576 CB ARG A 61 8.960 -8.836 3.324 1.00 0.00 C ATOM 577 CG ARG A 61 8.725 -10.166 4.019 1.00 0.00 C ATOM 578 CD ARG A 61 9.228 -11.330 3.181 1.00 0.00 C ATOM 579 NE ARG A 61 10.678 -11.295 3.012 1.00 0.00 N ATOM 580 CZ ARG A 61 11.354 -12.142 2.242 1.00 0.00 C ATOM 581 NH1 ARG A 61 10.715 -13.087 1.566 1.00 0.00 N ATOM 582 NH2 ARG A 61 12.673 -12.042 2.147 1.00 0.00 N ATOM 0 H ARG A 61 8.907 -6.561 2.384 1.00 0.00 H new ATOM 0 HA ARG A 61 7.468 -7.765 4.443 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.432 -8.836 2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.022 -8.735 3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.230 -10.167 4.985 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.660 -10.292 4.216 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.941 -12.269 3.655 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.748 -11.307 2.203 1.00 0.00 H new ATOM 0 HE ARG A 61 11.203 -10.579 3.514 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.700 -13.166 1.636 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.238 -13.735 0.976 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.168 -11.316 2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.192 -12.691 1.556 1.00 0.00 H new ATOM 596 N GLU A 62 10.570 -6.989 5.253 1.00 0.00 N ATOM 597 CA GLU A 62 11.480 -6.823 6.382 1.00 0.00 C ATOM 598 C GLU A 62 10.779 -6.124 7.540 1.00 0.00 C ATOM 599 O GLU A 62 10.813 -6.597 8.676 1.00 0.00 O ATOM 600 CB GLU A 62 12.716 -6.026 5.961 1.00 0.00 C ATOM 601 CG GLU A 62 13.724 -5.828 7.081 1.00 0.00 C ATOM 602 CD GLU A 62 14.927 -5.014 6.647 1.00 0.00 C ATOM 603 OE1 GLU A 62 14.850 -3.769 6.695 1.00 0.00 O ATOM 604 OE2 GLU A 62 15.946 -5.623 6.259 1.00 0.00 O ATOM 0 H GLU A 62 10.946 -6.674 4.359 1.00 0.00 H new ATOM 0 HA GLU A 62 11.795 -7.813 6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.203 -6.539 5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.400 -5.050 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.237 -5.330 7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.059 -6.801 7.439 1.00 0.00 H new ATOM 611 N ASN A 63 10.145 -4.996 7.243 1.00 0.00 N ATOM 612 CA ASN A 63 9.424 -4.240 8.255 1.00 0.00 C ATOM 613 C ASN A 63 7.957 -4.654 8.278 1.00 0.00 C ATOM 614 O ASN A 63 7.136 -4.104 7.545 1.00 0.00 O ATOM 615 CB ASN A 63 9.541 -2.736 7.993 1.00 0.00 C ATOM 616 CG ASN A 63 10.974 -2.244 8.074 1.00 0.00 C ATOM 617 OD1 ASN A 63 11.443 -1.837 9.137 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.677 -2.278 6.947 1.00 0.00 N ATOM 0 H ASN A 63 10.117 -4.586 6.309 1.00 0.00 H new ATOM 0 HA ASN A 63 9.869 -4.458 9.226 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.137 -2.509 7.006 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.933 -2.195 8.718 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.646 -1.959 6.940 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.248 -2.623 6.089 1.00 0.00 H new ATOM 625 N ASP A 64 7.644 -5.647 9.103 1.00 0.00 N ATOM 626 CA ASP A 64 6.277 -6.141 9.228 1.00 0.00 C ATOM 627 C ASP A 64 5.310 -5.001 9.539 1.00 0.00 C ATOM 628 O ASP A 64 5.231 -4.534 10.675 1.00 0.00 O ATOM 629 CB ASP A 64 6.200 -7.205 10.324 1.00 0.00 C ATOM 630 CG ASP A 64 4.824 -7.834 10.430 1.00 0.00 C ATOM 631 OD1 ASP A 64 3.914 -7.182 10.983 1.00 0.00 O ATOM 632 OD2 ASP A 64 4.659 -8.981 9.963 1.00 0.00 O ATOM 0 H ASP A 64 8.320 -6.127 9.697 1.00 0.00 H new ATOM 0 HA ASP A 64 5.988 -6.586 8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.937 -7.983 10.123 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.465 -6.755 11.281 1.00 0.00 H new ATOM 637 N ILE A 65 4.580 -4.555 8.520 1.00 0.00 N ATOM 638 CA ILE A 65 3.617 -3.471 8.681 1.00 0.00 C ATOM 639 C ILE A 65 2.259 -3.857 8.101 1.00 0.00 C ATOM 640 O ILE A 65 2.173 -4.374 6.987 1.00 0.00 O ATOM 641 CB ILE A 65 4.106 -2.175 7.997 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.431 -1.705 8.610 1.00 0.00 C ATOM 643 CG2 ILE A 65 3.050 -1.082 8.096 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.347 -1.377 10.087 1.00 0.00 C ATOM 0 H ILE A 65 4.638 -4.929 7.573 1.00 0.00 H new ATOM 0 HA ILE A 65 3.517 -3.291 9.751 1.00 0.00 H new ATOM 0 HB ILE A 65 4.276 -2.390 6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.182 -2.481 8.463 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.775 -0.822 8.072 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.415 -0.178 7.608 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.135 -1.415 7.606 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.843 -0.870 9.145 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.325 -1.053 10.444 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.621 -0.579 10.242 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.035 -2.263 10.639 1.00 0.00 H new ATOM 656 N VAL A 66 1.201 -3.602 8.866 1.00 0.00 N ATOM 657 CA VAL A 66 -0.154 -3.918 8.430 1.00 0.00 C ATOM 658 C VAL A 66 -0.732 -2.792 7.583 1.00 0.00 C ATOM 659 O VAL A 66 -0.054 -1.804 7.297 1.00 0.00 O ATOM 660 CB VAL A 66 -1.091 -4.160 9.628 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.651 -5.381 10.416 1.00 0.00 C ATOM 662 CG2 VAL A 66 -1.142 -2.929 10.522 1.00 0.00 C ATOM 0 H VAL A 66 1.257 -3.177 9.792 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.087 -4.829 7.836 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.095 -4.348 9.247 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.327 -5.534 11.258 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.673 -6.258 9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.362 -5.229 10.787 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.809 -3.118 11.363 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.142 -2.708 10.894 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.512 -2.079 9.949 1.00 0.00 H new ATOM 672 N GLY A 67 -1.990 -2.948 7.185 1.00 0.00 N ATOM 673 CA GLY A 67 -2.644 -1.933 6.383 1.00 0.00 C ATOM 674 C GLY A 67 -3.157 -0.784 7.228 1.00 0.00 C ATOM 675 O GLY A 67 -3.477 0.286 6.708 1.00 0.00 O ATOM 0 H GLY A 67 -2.568 -3.760 7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.944 -1.552 5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.475 -2.381 5.838 1.00 0.00 H new ATOM 679 N ASP A 68 -3.232 -1.008 8.537 1.00 0.00 N ATOM 680 CA ASP A 68 -3.712 0.010 9.466 1.00 0.00 C ATOM 681 C ASP A 68 -2.639 1.062 9.732 1.00 0.00 C ATOM 682 O ASP A 68 -2.923 2.128 10.278 1.00 0.00 O ATOM 683 CB ASP A 68 -4.134 -0.640 10.785 1.00 0.00 C ATOM 684 CG ASP A 68 -4.726 0.358 11.761 1.00 0.00 C ATOM 685 OD1 ASP A 68 -5.955 0.576 11.716 1.00 0.00 O ATOM 686 OD2 ASP A 68 -3.960 0.923 12.571 1.00 0.00 O ATOM 0 H ASP A 68 -2.966 -1.888 8.979 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.572 0.502 9.011 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.865 -1.423 10.583 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.269 -1.121 11.242 1.00 0.00 H new ATOM 691 N LEU A 69 -1.408 0.755 9.339 1.00 0.00 N ATOM 692 CA LEU A 69 -0.289 1.668 9.548 1.00 0.00 C ATOM 693 C LEU A 69 0.085 2.396 8.261 1.00 0.00 C ATOM 694 O LEU A 69 0.937 3.284 8.269 1.00 0.00 O ATOM 695 CB LEU A 69 0.923 0.899 10.079 1.00 0.00 C ATOM 696 CG LEU A 69 0.939 0.646 11.591 1.00 0.00 C ATOM 697 CD1 LEU A 69 -0.399 0.107 12.075 1.00 0.00 C ATOM 698 CD2 LEU A 69 2.059 -0.317 11.948 1.00 0.00 C ATOM 0 H LEU A 69 -1.159 -0.118 8.874 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.598 2.413 10.281 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.973 -0.062 9.568 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.825 1.449 9.812 1.00 0.00 H new ATOM 0 HG LEU A 69 1.116 1.598 12.092 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.355 -0.062 13.151 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.184 0.830 11.853 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.617 -0.833 11.569 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.061 -0.490 13.024 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.905 -1.263 11.429 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.016 0.110 11.647 1.00 0.00 H new ATOM 710 N LEU A 70 -0.553 2.019 7.159 1.00 0.00 N ATOM 711 CA LEU A 70 -0.276 2.642 5.869 1.00 0.00 C ATOM 712 C LEU A 70 -0.598 4.140 5.889 1.00 0.00 C ATOM 713 O LEU A 70 0.241 4.955 5.502 1.00 0.00 O ATOM 714 CB LEU A 70 -1.058 1.943 4.752 1.00 0.00 C ATOM 715 CG LEU A 70 -0.691 0.476 4.518 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.601 -0.137 3.466 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.767 0.348 4.099 1.00 0.00 C ATOM 0 H LEU A 70 -1.263 1.288 7.132 1.00 0.00 H new ATOM 0 HA LEU A 70 0.790 2.531 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.122 2.002 4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.903 2.492 3.823 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.828 -0.066 5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.327 -1.181 3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.636 -0.080 3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.493 0.409 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.008 -0.703 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.930 0.904 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.408 0.751 4.883 1.00 0.00 H new ATOM 729 N PRO A 71 -1.811 4.536 6.336 1.00 0.00 N ATOM 730 CA PRO A 71 -2.199 5.948 6.388 1.00 0.00 C ATOM 731 C PRO A 71 -1.594 6.673 7.585 1.00 0.00 C ATOM 732 O PRO A 71 -1.555 7.903 7.624 1.00 0.00 O ATOM 733 CB PRO A 71 -3.719 5.885 6.513 1.00 0.00 C ATOM 734 CG PRO A 71 -3.981 4.613 7.242 1.00 0.00 C ATOM 735 CD PRO A 71 -2.896 3.655 6.823 1.00 0.00 C ATOM 0 HA PRO A 71 -1.849 6.502 5.517 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.108 6.744 7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.198 5.887 5.534 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.964 4.772 8.320 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.966 4.218 6.993 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.565 3.037 7.658 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.241 2.977 6.042 1.00 0.00 H new ATOM 743 N GLU A 72 -1.123 5.902 8.560 1.00 0.00 N ATOM 744 CA GLU A 72 -0.521 6.470 9.762 1.00 0.00 C ATOM 745 C GLU A 72 0.912 6.917 9.495 1.00 0.00 C ATOM 746 O GLU A 72 1.396 7.874 10.099 1.00 0.00 O ATOM 747 CB GLU A 72 -0.544 5.448 10.900 1.00 0.00 C ATOM 748 CG GLU A 72 -0.023 5.995 12.220 1.00 0.00 C ATOM 749 CD GLU A 72 -0.888 7.114 12.766 1.00 0.00 C ATOM 750 OE1 GLU A 72 -1.881 6.812 13.460 1.00 0.00 O ATOM 751 OE2 GLU A 72 -0.573 8.293 12.497 1.00 0.00 O ATOM 0 H GLU A 72 -1.146 4.882 8.542 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.106 7.342 10.053 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.566 5.096 11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.055 4.583 10.613 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.025 5.188 12.951 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.994 6.361 12.082 1.00 0.00 H new ATOM 758 N LEU A 73 1.584 6.217 8.588 1.00 0.00 N ATOM 759 CA LEU A 73 2.963 6.539 8.243 1.00 0.00 C ATOM 760 C LEU A 73 3.017 7.532 7.088 1.00 0.00 C ATOM 761 O LEU A 73 2.377 7.335 6.055 1.00 0.00 O ATOM 762 CB LEU A 73 3.726 5.266 7.873 1.00 0.00 C ATOM 763 CG LEU A 73 3.806 4.212 8.980 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.351 2.903 8.430 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.672 4.709 10.129 1.00 0.00 C ATOM 0 H LEU A 73 1.196 5.423 8.079 1.00 0.00 H new ATOM 0 HA LEU A 73 3.433 6.997 9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.252 4.818 7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.739 5.541 7.580 1.00 0.00 H new ATOM 0 HG LEU A 73 2.800 4.034 9.360 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.401 2.165 9.230 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.694 2.538 7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.349 3.066 8.024 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.717 3.947 10.907 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.678 4.915 9.764 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.242 5.622 10.541 1.00 0.00 H new ATOM 777 N CYS A 74 3.786 8.601 7.273 1.00 0.00 N ATOM 778 CA CYS A 74 3.929 9.629 6.248 1.00 0.00 C ATOM 779 C CYS A 74 4.915 9.188 5.171 1.00 0.00 C ATOM 780 O CYS A 74 5.332 8.030 5.134 1.00 0.00 O ATOM 781 CB CYS A 74 4.398 10.942 6.879 1.00 0.00 C ATOM 782 SG CYS A 74 3.252 11.623 8.101 1.00 0.00 S ATOM 0 H CYS A 74 4.320 8.778 8.124 1.00 0.00 H new ATOM 0 HA CYS A 74 2.956 9.784 5.782 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.365 10.779 7.355 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.551 11.678 6.090 1.00 0.00 H new ATOM 0 HG CYS A 74 3.736 12.731 8.580 1.00 0.00 H new ATOM 788 N LEU A 75 5.281 10.119 4.295 1.00 0.00 N ATOM 789 CA LEU A 75 6.218 9.830 3.214 1.00 0.00 C ATOM 790 C LEU A 75 7.590 9.448 3.764 1.00 0.00 C ATOM 791 O LEU A 75 8.449 8.962 3.029 1.00 0.00 O ATOM 792 CB LEU A 75 6.348 11.039 2.281 1.00 0.00 C ATOM 793 CG LEU A 75 5.211 11.218 1.267 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.147 10.030 0.319 1.00 0.00 C ATOM 795 CD2 LEU A 75 3.877 11.408 1.976 1.00 0.00 C ATOM 0 H LEU A 75 4.943 11.081 4.313 1.00 0.00 H new ATOM 0 HA LEU A 75 5.826 8.984 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.413 11.940 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.288 10.955 1.735 1.00 0.00 H new ATOM 0 HG LEU A 75 5.416 12.115 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.334 10.176 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.090 9.944 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.970 9.118 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.086 11.533 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.664 10.534 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.924 12.294 2.609 1.00 0.00 H new ATOM 807 N GLN A 76 7.790 9.672 5.060 1.00 0.00 N ATOM 808 CA GLN A 76 9.058 9.347 5.705 1.00 0.00 C ATOM 809 C GLN A 76 9.348 7.853 5.601 1.00 0.00 C ATOM 810 O GLN A 76 10.320 7.442 4.969 1.00 0.00 O ATOM 811 CB GLN A 76 9.032 9.773 7.175 1.00 0.00 C ATOM 812 CG GLN A 76 10.337 9.506 7.909 1.00 0.00 C ATOM 813 CD GLN A 76 11.508 10.259 7.308 1.00 0.00 C ATOM 814 OE1 GLN A 76 11.343 11.342 6.747 1.00 0.00 O ATOM 815 NE2 GLN A 76 12.701 9.687 7.424 1.00 0.00 N ATOM 0 H GLN A 76 7.091 10.077 5.683 1.00 0.00 H new ATOM 0 HA GLN A 76 9.851 9.892 5.192 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.804 10.837 7.232 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.224 9.246 7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.226 9.790 8.955 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.549 8.437 7.889 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.792 8.788 7.897 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.527 10.147 7.040 1.00 0.00 H new ATOM 824 N ASP A 77 8.496 7.047 6.227 1.00 0.00 N ATOM 825 CA ASP A 77 8.655 5.599 6.204 1.00 0.00 C ATOM 826 C ASP A 77 8.560 5.068 4.778 1.00 0.00 C ATOM 827 O ASP A 77 9.199 4.076 4.430 1.00 0.00 O ATOM 828 CB ASP A 77 7.592 4.935 7.082 1.00 0.00 C ATOM 829 CG ASP A 77 7.666 3.421 7.038 1.00 0.00 C ATOM 830 OD1 ASP A 77 8.481 2.843 7.788 1.00 0.00 O ATOM 831 OD2 ASP A 77 6.908 2.813 6.254 1.00 0.00 O ATOM 0 H ASP A 77 7.688 7.374 6.757 1.00 0.00 H new ATOM 0 HA ASP A 77 9.642 5.358 6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.713 5.272 8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.603 5.257 6.756 1.00 0.00 H new ATOM 836 N CYS A 78 7.761 5.741 3.956 1.00 0.00 N ATOM 837 CA CYS A 78 7.581 5.340 2.565 1.00 0.00 C ATOM 838 C CYS A 78 8.897 5.429 1.801 1.00 0.00 C ATOM 839 O CYS A 78 9.203 4.571 0.972 1.00 0.00 O ATOM 840 CB CYS A 78 6.527 6.220 1.892 1.00 0.00 C ATOM 841 SG CYS A 78 4.918 6.207 2.717 1.00 0.00 S ATOM 0 H CYS A 78 7.228 6.567 4.229 1.00 0.00 H new ATOM 0 HA CYS A 78 7.242 4.304 2.551 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.896 7.245 1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.398 5.889 0.861 1.00 0.00 H new ATOM 0 HG CYS A 78 4.922 7.069 3.690 1.00 0.00 H new ATOM 847 N GLN A 79 9.674 6.471 2.085 1.00 0.00 N ATOM 848 CA GLN A 79 10.958 6.664 1.422 1.00 0.00 C ATOM 849 C GLN A 79 11.968 5.633 1.909 1.00 0.00 C ATOM 850 O GLN A 79 12.771 5.119 1.130 1.00 0.00 O ATOM 851 CB GLN A 79 11.485 8.078 1.672 1.00 0.00 C ATOM 852 CG GLN A 79 12.614 8.474 0.735 1.00 0.00 C ATOM 853 CD GLN A 79 13.069 9.907 0.936 1.00 0.00 C ATOM 854 OE1 GLN A 79 12.993 10.446 2.041 1.00 0.00 O ATOM 855 NE2 GLN A 79 13.544 10.533 -0.135 1.00 0.00 N ATOM 0 H GLN A 79 9.437 7.191 2.767 1.00 0.00 H new ATOM 0 HA GLN A 79 10.813 6.532 0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.665 8.788 1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.835 8.151 2.702 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.460 7.804 0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.287 8.343 -0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.589 10.048 -1.031 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.864 11.499 -0.061 1.00 0.00 H new ATOM 864 N ASP A 80 11.922 5.337 3.204 1.00 0.00 N ATOM 865 CA ASP A 80 12.823 4.357 3.798 1.00 0.00 C ATOM 866 C ASP A 80 12.520 2.968 3.250 1.00 0.00 C ATOM 867 O ASP A 80 13.384 2.091 3.226 1.00 0.00 O ATOM 868 CB ASP A 80 12.681 4.357 5.321 1.00 0.00 C ATOM 869 CG ASP A 80 13.638 3.391 5.990 1.00 0.00 C ATOM 870 OD1 ASP A 80 13.266 2.210 6.161 1.00 0.00 O ATOM 871 OD2 ASP A 80 14.759 3.813 6.340 1.00 0.00 O ATOM 0 H ASP A 80 11.269 5.763 3.862 1.00 0.00 H new ATOM 0 HA ASP A 80 13.847 4.627 3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.860 5.363 5.700 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.657 4.094 5.588 1.00 0.00 H new ATOM 876 N LEU A 81 11.281 2.786 2.811 1.00 0.00 N ATOM 877 CA LEU A 81 10.834 1.516 2.256 1.00 0.00 C ATOM 878 C LEU A 81 11.300 1.362 0.812 1.00 0.00 C ATOM 879 O LEU A 81 11.239 0.273 0.241 1.00 0.00 O ATOM 880 CB LEU A 81 9.308 1.425 2.341 1.00 0.00 C ATOM 881 CG LEU A 81 8.756 0.652 3.547 1.00 0.00 C ATOM 882 CD1 LEU A 81 9.573 0.928 4.803 1.00 0.00 C ATOM 883 CD2 LEU A 81 7.299 1.016 3.781 1.00 0.00 C ATOM 0 H LEU A 81 10.562 3.510 2.829 1.00 0.00 H new ATOM 0 HA LEU A 81 11.272 0.705 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.902 2.436 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.939 0.954 1.430 1.00 0.00 H new ATOM 0 HG LEU A 81 8.828 -0.413 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.156 0.366 5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.606 0.622 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.541 1.993 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.919 0.461 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.218 2.085 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.714 0.762 2.897 1.00 0.00 H new ATOM 895 N CYS A 82 11.763 2.463 0.230 1.00 0.00 N ATOM 896 CA CYS A 82 12.250 2.458 -1.144 1.00 0.00 C ATOM 897 C CYS A 82 13.777 2.484 -1.172 1.00 0.00 C ATOM 898 O CYS A 82 14.418 2.766 -0.159 1.00 0.00 O ATOM 899 CB CYS A 82 11.690 3.662 -1.906 1.00 0.00 C ATOM 900 SG CYS A 82 12.184 3.735 -3.644 1.00 0.00 S ATOM 0 H CYS A 82 11.811 3.372 0.690 1.00 0.00 H new ATOM 0 HA CYS A 82 11.910 1.542 -1.628 1.00 0.00 H new ATOM 0 HB2 CYS A 82 10.602 3.639 -1.850 1.00 0.00 H new ATOM 0 HB3 CYS A 82 12.015 4.576 -1.409 1.00 0.00 H new ATOM 0 HG CYS A 82 11.960 2.585 -4.208 1.00 0.00 H new ATOM 906 N ASP A 83 14.352 2.189 -2.334 1.00 0.00 N ATOM 907 CA ASP A 83 15.803 2.180 -2.490 1.00 0.00 C ATOM 908 C ASP A 83 16.392 3.560 -2.216 1.00 0.00 C ATOM 909 O ASP A 83 17.590 3.695 -1.966 1.00 0.00 O ATOM 910 CB ASP A 83 16.182 1.728 -3.901 1.00 0.00 C ATOM 911 CG ASP A 83 15.690 0.328 -4.213 1.00 0.00 C ATOM 912 OD1 ASP A 83 14.526 0.191 -4.646 1.00 0.00 O ATOM 913 OD2 ASP A 83 16.468 -0.631 -4.025 1.00 0.00 O ATOM 0 H ASP A 83 13.836 1.953 -3.181 1.00 0.00 H new ATOM 0 HA ASP A 83 16.214 1.478 -1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.766 2.426 -4.627 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.266 1.762 -4.011 1.00 0.00 H new ATOM 918 N GLY A 84 15.543 4.581 -2.265 1.00 0.00 N ATOM 919 CA GLY A 84 15.997 5.937 -2.023 1.00 0.00 C ATOM 920 C GLY A 84 15.323 6.942 -2.935 1.00 0.00 C ATOM 921 O GLY A 84 15.499 8.151 -2.776 1.00 0.00 O ATOM 0 H GLY A 84 14.547 4.493 -2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.800 6.203 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.076 5.987 -2.166 1.00 0.00 H new ATOM 925 N ASP A 85 14.550 6.441 -3.894 1.00 0.00 N ATOM 926 CA ASP A 85 13.844 7.301 -4.836 1.00 0.00 C ATOM 927 C ASP A 85 12.607 7.913 -4.185 1.00 0.00 C ATOM 928 O ASP A 85 11.852 7.225 -3.497 1.00 0.00 O ATOM 929 CB ASP A 85 13.443 6.508 -6.081 1.00 0.00 C ATOM 930 CG ASP A 85 12.896 7.396 -7.179 1.00 0.00 C ATOM 931 OD1 ASP A 85 11.688 7.709 -7.142 1.00 0.00 O ATOM 932 OD2 ASP A 85 13.676 7.781 -8.075 1.00 0.00 O ATOM 0 H ASP A 85 14.397 5.443 -4.039 1.00 0.00 H new ATOM 0 HA ASP A 85 14.515 8.108 -5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.309 5.963 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.692 5.766 -5.810 1.00 0.00 H new ATOM 937 N LEU A 86 12.407 9.209 -4.404 1.00 0.00 N ATOM 938 CA LEU A 86 11.265 9.915 -3.833 1.00 0.00 C ATOM 939 C LEU A 86 9.984 9.613 -4.606 1.00 0.00 C ATOM 940 O LEU A 86 8.960 9.269 -4.015 1.00 0.00 O ATOM 941 CB LEU A 86 11.524 11.423 -3.823 1.00 0.00 C ATOM 942 CG LEU A 86 10.394 12.273 -3.238 1.00 0.00 C ATOM 943 CD1 LEU A 86 10.178 11.940 -1.769 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.697 13.753 -3.411 1.00 0.00 C ATOM 0 H LEU A 86 13.021 9.792 -4.973 1.00 0.00 H new ATOM 0 HA LEU A 86 11.135 9.566 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.434 11.616 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.712 11.750 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 86 9.476 12.043 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.371 12.555 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.915 10.887 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.094 12.139 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.883 14.343 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.626 13.997 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.799 13.982 -4.472 1.00 0.00 H new ATOM 956 N ASN A 87 10.052 9.748 -5.929 1.00 0.00 N ATOM 957 CA ASN A 87 8.900 9.496 -6.794 1.00 0.00 C ATOM 958 C ASN A 87 8.208 8.185 -6.434 1.00 0.00 C ATOM 959 O ASN A 87 6.980 8.110 -6.397 1.00 0.00 O ATOM 960 CB ASN A 87 9.339 9.456 -8.258 1.00 0.00 C ATOM 961 CG ASN A 87 9.682 10.830 -8.804 1.00 0.00 C ATOM 962 OD1 ASN A 87 10.573 10.971 -9.642 1.00 0.00 O ATOM 963 ND2 ASN A 87 8.970 11.850 -8.339 1.00 0.00 N ATOM 0 H ASN A 87 10.896 10.031 -6.427 1.00 0.00 H new ATOM 0 HA ASN A 87 8.191 10.310 -6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.207 8.804 -8.355 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.543 9.019 -8.860 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.153 12.795 -8.676 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.241 11.688 -7.645 1.00 0.00 H new ATOM 970 N LYS A 88 9.005 7.158 -6.173 1.00 0.00 N ATOM 971 CA LYS A 88 8.477 5.847 -5.821 1.00 0.00 C ATOM 972 C LYS A 88 7.587 5.934 -4.582 1.00 0.00 C ATOM 973 O LYS A 88 6.465 5.425 -4.573 1.00 0.00 O ATOM 974 CB LYS A 88 9.629 4.874 -5.571 1.00 0.00 C ATOM 975 CG LYS A 88 9.247 3.412 -5.730 1.00 0.00 C ATOM 976 CD LYS A 88 9.236 3.000 -7.194 1.00 0.00 C ATOM 977 CE LYS A 88 9.070 1.497 -7.353 1.00 0.00 C ATOM 978 NZ LYS A 88 9.305 1.060 -8.756 1.00 0.00 N ATOM 0 H LYS A 88 10.023 7.208 -6.199 1.00 0.00 H new ATOM 0 HA LYS A 88 7.872 5.484 -6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.442 5.104 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.012 5.031 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.951 2.788 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.262 3.242 -5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.424 3.513 -7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.165 3.316 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.766 0.982 -6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.065 1.208 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.853 0.136 -8.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.899 1.759 -9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.328 0.979 -8.928 1.00 0.00 H new ATOM 992 N ALA A 89 8.096 6.586 -3.540 1.00 0.00 N ATOM 993 CA ALA A 89 7.353 6.741 -2.295 1.00 0.00 C ATOM 994 C ALA A 89 6.067 7.534 -2.511 1.00 0.00 C ATOM 995 O ALA A 89 5.065 7.304 -1.833 1.00 0.00 O ATOM 996 CB ALA A 89 8.218 7.417 -1.240 1.00 0.00 C ATOM 0 H ALA A 89 9.021 7.016 -3.534 1.00 0.00 H new ATOM 0 HA ALA A 89 7.080 5.746 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.648 7.525 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.103 6.809 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.523 8.401 -1.596 1.00 0.00 H new ATOM 1002 N ILE A 90 6.101 8.469 -3.457 1.00 0.00 N ATOM 1003 CA ILE A 90 4.936 9.294 -3.758 1.00 0.00 C ATOM 1004 C ILE A 90 3.764 8.436 -4.222 1.00 0.00 C ATOM 1005 O ILE A 90 2.664 8.525 -3.675 1.00 0.00 O ATOM 1006 CB ILE A 90 5.253 10.347 -4.840 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.380 11.268 -4.365 1.00 0.00 C ATOM 1008 CG2 ILE A 90 4.006 11.153 -5.181 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.832 12.268 -5.409 1.00 0.00 C ATOM 0 H ILE A 90 6.922 8.674 -4.027 1.00 0.00 H new ATOM 0 HA ILE A 90 4.664 9.808 -2.836 1.00 0.00 H new ATOM 0 HB ILE A 90 5.583 9.833 -5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.047 11.808 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.233 10.659 -4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.248 11.891 -5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.231 10.484 -5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.646 11.662 -4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.632 12.885 -5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.197 11.737 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.993 12.903 -5.692 1.00 0.00 H new ATOM 1021 N LYS A 91 4.005 7.609 -5.235 1.00 0.00 N ATOM 1022 CA LYS A 91 2.969 6.732 -5.768 1.00 0.00 C ATOM 1023 C LYS A 91 2.425 5.821 -4.673 1.00 0.00 C ATOM 1024 O LYS A 91 1.231 5.521 -4.635 1.00 0.00 O ATOM 1025 CB LYS A 91 3.525 5.888 -6.918 1.00 0.00 C ATOM 1026 CG LYS A 91 4.112 6.711 -8.055 1.00 0.00 C ATOM 1027 CD LYS A 91 3.049 7.540 -8.764 1.00 0.00 C ATOM 1028 CE LYS A 91 2.034 6.660 -9.478 1.00 0.00 C ATOM 1029 NZ LYS A 91 2.683 5.745 -10.457 1.00 0.00 N ATOM 0 H LYS A 91 4.908 7.528 -5.703 1.00 0.00 H new ATOM 0 HA LYS A 91 2.156 7.353 -6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.295 5.222 -6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.728 5.257 -7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.886 7.371 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.593 6.047 -8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.537 8.172 -8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.526 8.204 -9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.482 6.073 -8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.308 7.288 -9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.967 5.378 -11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.410 6.265 -10.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.126 4.952 -9.950 1.00 0.00 H new ATOM 1043 N PHE A 92 3.314 5.388 -3.785 1.00 0.00 N ATOM 1044 CA PHE A 92 2.937 4.513 -2.680 1.00 0.00 C ATOM 1045 C PHE A 92 1.887 5.177 -1.791 1.00 0.00 C ATOM 1046 O PHE A 92 0.773 4.669 -1.637 1.00 0.00 O ATOM 1047 CB PHE A 92 4.177 4.159 -1.854 1.00 0.00 C ATOM 1048 CG PHE A 92 3.907 3.235 -0.699 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.213 2.049 -0.884 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.354 3.553 0.574 1.00 0.00 C ATOM 1051 CE1 PHE A 92 2.971 1.199 0.179 1.00 0.00 C ATOM 1052 CE2 PHE A 92 4.115 2.706 1.640 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.422 1.528 1.442 1.00 0.00 C ATOM 0 H PHE A 92 4.305 5.630 -3.809 1.00 0.00 H new ATOM 0 HA PHE A 92 2.505 3.602 -3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.916 3.697 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.620 5.079 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.858 1.786 -1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.895 4.474 0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.429 0.278 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.470 2.965 2.627 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.233 0.865 2.274 1.00 0.00 H new ATOM 1063 N LYS A 93 2.252 6.319 -1.214 1.00 0.00 N ATOM 1064 CA LYS A 93 1.354 7.062 -0.336 1.00 0.00 C ATOM 1065 C LYS A 93 0.017 7.333 -1.020 1.00 0.00 C ATOM 1066 O LYS A 93 -1.036 7.286 -0.383 1.00 0.00 O ATOM 1067 CB LYS A 93 2.002 8.384 0.086 1.00 0.00 C ATOM 1068 CG LYS A 93 1.110 9.270 0.946 1.00 0.00 C ATOM 1069 CD LYS A 93 1.147 8.862 2.412 1.00 0.00 C ATOM 1070 CE LYS A 93 0.070 7.840 2.741 1.00 0.00 C ATOM 1071 NZ LYS A 93 0.005 7.554 4.201 1.00 0.00 N ATOM 0 H LYS A 93 3.167 6.751 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 93 1.168 6.454 0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.918 8.168 0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.290 8.936 -0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.429 10.308 0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.085 9.216 0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.127 8.447 2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.014 9.744 3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.897 8.209 2.400 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.268 6.916 2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.151 6.536 4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.900 7.836 4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.779 8.089 4.625 1.00 0.00 H new ATOM 1085 N ILE A 94 0.067 7.619 -2.317 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.140 7.900 -3.086 1.00 0.00 C ATOM 1087 C ILE A 94 -2.123 6.737 -3.020 1.00 0.00 C ATOM 1088 O ILE A 94 -3.223 6.874 -2.485 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.813 8.191 -4.565 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.201 9.587 -4.711 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -2.068 8.054 -5.418 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.318 9.880 -6.102 1.00 0.00 C ATOM 0 H ILE A 94 0.931 7.662 -2.858 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.595 8.784 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.081 7.463 -4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.951 10.333 -4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.617 9.692 -3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.824 8.262 -6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.458 7.040 -5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.821 8.762 -5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.737 10.886 -6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.092 9.158 -6.361 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.500 9.808 -6.818 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.720 5.601 -3.584 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.559 4.409 -3.601 1.00 0.00 C ATOM 1106 C LEU A 95 -3.174 4.156 -2.234 1.00 0.00 C ATOM 1107 O LEU A 95 -4.289 3.642 -2.129 1.00 0.00 O ATOM 1108 CB LEU A 95 -1.740 3.193 -4.031 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.044 3.328 -5.384 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -0.067 2.184 -5.593 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.068 3.368 -6.510 1.00 0.00 C ATOM 0 H LEU A 95 -0.814 5.482 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.364 4.574 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.986 2.994 -3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.397 2.324 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.487 4.265 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.421 2.294 -6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.685 2.199 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.605 1.236 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.554 3.464 -7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.652 2.448 -6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.732 4.220 -6.368 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.443 4.521 -1.189 1.00 0.00 N ATOM 1124 CA ILE A 96 -2.922 4.331 0.170 1.00 0.00 C ATOM 1125 C ILE A 96 -4.078 5.275 0.488 1.00 0.00 C ATOM 1126 O ILE A 96 -5.071 4.868 1.091 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.793 4.531 1.198 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.679 3.511 0.955 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.335 4.408 2.617 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.571 3.772 1.765 1.00 0.00 C ATOM 0 H ILE A 96 -1.520 4.949 -1.258 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.279 3.303 0.239 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.381 5.533 1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.053 2.515 1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.422 3.512 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.523 4.552 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.101 5.166 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.769 3.418 2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.316 3.009 1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.970 4.754 1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.329 3.741 2.827 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.943 6.534 0.083 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.984 7.527 0.325 1.00 0.00 C ATOM 1144 C ASN A 97 -6.320 7.050 -0.236 1.00 0.00 C ATOM 1145 O ASN A 97 -7.348 7.114 0.441 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.598 8.867 -0.305 1.00 0.00 C ATOM 1147 CG ASN A 97 -5.652 9.934 -0.084 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -5.624 10.655 0.913 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -6.590 10.042 -1.018 1.00 0.00 N ATOM 0 H ASN A 97 -3.126 6.890 -0.413 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.087 7.661 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.650 9.204 0.115 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.441 8.731 -1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.325 10.743 -0.924 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.576 9.424 -1.829 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.296 6.566 -1.474 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.502 6.072 -2.127 1.00 0.00 C ATOM 1158 C LYS A 98 -8.038 4.836 -1.412 1.00 0.00 C ATOM 1159 O LYS A 98 -9.249 4.622 -1.345 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.221 5.745 -3.596 1.00 0.00 C ATOM 1161 CG LYS A 98 -7.147 6.970 -4.496 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.925 7.822 -4.191 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.880 9.064 -5.066 1.00 0.00 C ATOM 1164 NZ LYS A 98 -5.838 8.722 -6.514 1.00 0.00 N ATOM 0 H LYS A 98 -5.453 6.506 -2.045 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.257 6.857 -2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.280 5.199 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.002 5.081 -3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.118 6.654 -5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.049 7.569 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.937 8.115 -3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.021 7.233 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.755 9.682 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.004 9.658 -4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.605 9.573 -7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.114 7.994 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.766 8.360 -6.812 1.00 0.00 H new ATOM 1178 N MET A 99 -7.127 4.025 -0.881 1.00 0.00 N ATOM 1179 CA MET A 99 -7.507 2.812 -0.165 1.00 0.00 C ATOM 1180 C MET A 99 -8.369 3.151 1.045 1.00 0.00 C ATOM 1181 O MET A 99 -9.319 2.436 1.366 1.00 0.00 O ATOM 1182 CB MET A 99 -6.261 2.046 0.288 1.00 0.00 C ATOM 1183 CG MET A 99 -6.576 0.752 1.022 1.00 0.00 C ATOM 1184 SD MET A 99 -5.137 0.056 1.858 1.00 0.00 S ATOM 1185 CE MET A 99 -4.024 -0.190 0.477 1.00 0.00 C ATOM 0 H MET A 99 -6.121 4.186 -0.933 1.00 0.00 H new ATOM 0 HA MET A 99 -8.084 2.184 -0.844 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.647 1.819 -0.584 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.667 2.688 0.938 1.00 0.00 H new ATOM 0 HG2 MET A 99 -7.362 0.937 1.754 1.00 0.00 H new ATOM 0 HG3 MET A 99 -6.967 0.023 0.312 1.00 0.00 H new ATOM 0 HE1 MET A 99 -3.173 -0.790 0.798 1.00 0.00 H new ATOM 0 HE2 MET A 99 -4.549 -0.707 -0.326 1.00 0.00 H new ATOM 0 HE3 MET A 99 -3.672 0.777 0.117 1.00 0.00 H new ATOM 1195 N ARG A 100 -8.028 4.249 1.712 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.764 4.689 2.892 1.00 0.00 C ATOM 1197 C ARG A 100 -10.148 5.199 2.508 1.00 0.00 C ATOM 1198 O ARG A 100 -11.134 4.920 3.192 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.984 5.785 3.620 1.00 0.00 C ATOM 1200 CG ARG A 100 -8.594 6.183 4.955 1.00 0.00 C ATOM 1201 CD ARG A 100 -7.741 7.220 5.668 1.00 0.00 C ATOM 1202 NE ARG A 100 -8.261 7.540 6.994 1.00 0.00 N ATOM 1203 CZ ARG A 100 -7.534 8.102 7.956 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -6.260 8.401 7.739 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -8.080 8.363 9.135 1.00 0.00 N ATOM 0 H ARG A 100 -7.246 4.851 1.455 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.885 3.835 3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.962 5.444 3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.927 6.665 2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.596 6.582 4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.700 5.300 5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.720 6.849 5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.697 8.128 5.067 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.237 7.320 7.194 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.836 8.200 6.833 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.704 8.832 8.478 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.059 8.133 9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.521 8.794 9.872 1.00 0.00 H new ATOM 1219 N ASP A 101 -10.215 5.948 1.411 1.00 0.00 N ATOM 1220 CA ASP A 101 -11.481 6.495 0.936 1.00 0.00 C ATOM 1221 C ASP A 101 -12.453 5.379 0.571 1.00 0.00 C ATOM 1222 O ASP A 101 -13.656 5.490 0.810 1.00 0.00 O ATOM 1223 CB ASP A 101 -11.254 7.402 -0.276 1.00 0.00 C ATOM 1224 CG ASP A 101 -10.467 8.651 0.071 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -11.036 9.547 0.730 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -9.284 8.736 -0.320 1.00 0.00 O ATOM 0 H ASP A 101 -9.408 6.189 0.835 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.915 7.084 1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.723 6.845 -1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -12.218 7.689 -0.696 1.00 0.00 H new