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= -1.01 K(o=-1,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 81:sc= 0.39 USER MOD Single : A 44 CYS SG : rot 116:sc= -0.929! USER MOD Single : A 46 SER OG : rot 87:sc= 0.519 USER MOD Single : A 47 THR OG1 : rot -73:sc= 1.2 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0869 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.432 USER MOD Single : A 58 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.91) USER MOD Single : A 63 ASN : amide:sc= -0.0685 X(o=-0.069,f=0) USER MOD Single : A 74 CYS SG : rot -44:sc= -0.726 USER MOD Single : A 76 GLN : amide:sc= -0.0951 K(o=-0.095,f=-0.65) USER MOD Single : A 78 CYS SG : rot 88:sc= 0.717 USER MOD Single : A 79 GLN : amide:sc= -0.273 K(o=-0.27,f=-2.6!) USER MOD Single : A 82 CYS SG : rot 72:sc= 0.556 USER MOD Single : A 87 ASN : amide:sc= -4.79! K(o=-4.8!,f=-0.22) USER MOD Single : A 88 LYS NZ :NH3+ 144:sc= -2.14 (180deg=-4.61!) USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= -0.0458 (180deg=-0.285) USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= -0.0787 (180deg=-0.397) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 98 LYS NZ :NH3+ -161:sc= -0.0389 (180deg=-0.676) USER MOD Single : A 99 MET CE :methyl -139:sc= 0 (180deg=-0.833) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -7.339 -6.053 7.818 1.00 0.00 N ATOM 143 CA GLN A 34 -6.906 -7.427 8.062 1.00 0.00 C ATOM 144 C GLN A 34 -5.796 -7.837 7.098 1.00 0.00 C ATOM 145 O GLN A 34 -5.398 -9.001 7.058 1.00 0.00 O ATOM 146 CB GLN A 34 -8.086 -8.392 7.937 1.00 0.00 C ATOM 147 CG GLN A 34 -9.101 -8.266 9.063 1.00 0.00 C ATOM 148 CD GLN A 34 -10.260 -9.236 8.919 1.00 0.00 C ATOM 149 OE1 GLN A 34 -10.827 -9.694 9.911 1.00 0.00 O ATOM 150 NE2 GLN A 34 -10.622 -9.550 7.679 1.00 0.00 N ATOM 0 HA GLN A 34 -6.513 -7.474 9.078 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.588 -8.216 6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.707 -9.414 7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.603 -8.441 10.017 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.487 -7.247 9.087 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.124 -9.147 6.885 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.397 -10.194 7.522 1.00 0.00 H new ATOM 159 N TRP A 35 -5.299 -6.877 6.323 1.00 0.00 N ATOM 160 CA TRP A 35 -4.230 -7.148 5.367 1.00 0.00 C ATOM 161 C TRP A 35 -2.910 -7.403 6.085 1.00 0.00 C ATOM 162 O TRP A 35 -2.563 -6.700 7.034 1.00 0.00 O ATOM 163 CB TRP A 35 -4.073 -5.978 4.390 1.00 0.00 C ATOM 164 CG TRP A 35 -5.048 -6.006 3.249 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.214 -6.716 3.176 1.00 0.00 C ATOM 166 CD2 TRP A 35 -4.937 -5.291 2.012 1.00 0.00 C ATOM 167 NE1 TRP A 35 -6.833 -6.483 1.972 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.069 -5.611 1.240 1.00 0.00 C ATOM 169 CE3 TRP A 35 -3.989 -4.409 1.484 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.279 -5.081 -0.031 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.199 -3.884 0.223 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.336 -4.220 -0.522 1.00 0.00 C ATOM 0 H TRP A 35 -5.618 -5.908 6.338 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.500 -8.044 4.807 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.194 -5.042 4.936 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.059 -5.985 3.990 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.593 -7.365 3.951 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.718 -6.892 1.671 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.109 -4.143 2.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.154 -5.340 -0.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.473 -3.202 -0.195 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.471 -3.791 -1.504 1.00 0.00 H new ATOM 183 N SER A 36 -2.180 -8.416 5.629 1.00 0.00 N ATOM 184 CA SER A 36 -0.897 -8.765 6.228 1.00 0.00 C ATOM 185 C SER A 36 0.256 -8.219 5.393 1.00 0.00 C ATOM 186 O SER A 36 0.041 -7.497 4.420 1.00 0.00 O ATOM 187 CB SER A 36 -0.770 -10.282 6.368 1.00 0.00 C ATOM 188 OG SER A 36 -1.801 -10.807 7.188 1.00 0.00 O ATOM 0 H SER A 36 -2.455 -9.010 4.846 1.00 0.00 H new ATOM 0 HA SER A 36 -0.851 -8.314 7.219 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.813 -10.746 5.383 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.201 -10.531 6.796 1.00 0.00 H new ATOM 0 HG SER A 36 -1.698 -11.779 7.260 1.00 0.00 H new ATOM 194 N VAL A 37 1.477 -8.571 5.777 1.00 0.00 N ATOM 195 CA VAL A 37 2.665 -8.113 5.066 1.00 0.00 C ATOM 196 C VAL A 37 2.667 -8.599 3.618 1.00 0.00 C ATOM 197 O VAL A 37 2.799 -7.804 2.688 1.00 0.00 O ATOM 198 CB VAL A 37 3.951 -8.598 5.763 1.00 0.00 C ATOM 199 CG1 VAL A 37 5.186 -8.112 5.017 1.00 0.00 C ATOM 200 CG2 VAL A 37 3.979 -8.135 7.212 1.00 0.00 C ATOM 0 H VAL A 37 1.671 -9.173 6.577 1.00 0.00 H new ATOM 0 HA VAL A 37 2.641 -7.023 5.075 1.00 0.00 H new ATOM 0 HB VAL A 37 3.957 -9.688 5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.082 -8.466 5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.171 -8.499 3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.190 -7.022 4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.894 -8.487 7.689 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.947 -7.046 7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.116 -8.540 7.740 1.00 0.00 H new ATOM 210 N ASP A 38 2.514 -9.906 3.437 1.00 0.00 N ATOM 211 CA ASP A 38 2.509 -10.505 2.104 1.00 0.00 C ATOM 212 C ASP A 38 1.364 -9.965 1.247 1.00 0.00 C ATOM 213 O ASP A 38 1.501 -9.831 0.030 1.00 0.00 O ATOM 214 CB ASP A 38 2.402 -12.026 2.212 1.00 0.00 C ATOM 215 CG ASP A 38 2.339 -12.701 0.856 1.00 0.00 C ATOM 216 OD1 ASP A 38 3.409 -12.907 0.245 1.00 0.00 O ATOM 217 OD2 ASP A 38 1.220 -13.025 0.405 1.00 0.00 O ATOM 0 H ASP A 38 2.391 -10.574 4.198 1.00 0.00 H new ATOM 0 HA ASP A 38 3.448 -10.238 1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.259 -12.409 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.511 -12.285 2.785 1.00 0.00 H new ATOM 222 N ASP A 39 0.239 -9.656 1.884 1.00 0.00 N ATOM 223 CA ASP A 39 -0.928 -9.142 1.172 1.00 0.00 C ATOM 224 C ASP A 39 -0.667 -7.751 0.597 1.00 0.00 C ATOM 225 O ASP A 39 -0.890 -7.509 -0.591 1.00 0.00 O ATOM 226 CB ASP A 39 -2.141 -9.104 2.103 1.00 0.00 C ATOM 227 CG ASP A 39 -2.582 -10.490 2.532 1.00 0.00 C ATOM 228 OD1 ASP A 39 -1.991 -11.031 3.489 1.00 0.00 O ATOM 229 OD2 ASP A 39 -3.521 -11.032 1.913 1.00 0.00 O ATOM 0 H ASP A 39 0.110 -9.752 2.891 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.132 -9.816 0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.900 -8.513 2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.967 -8.602 1.599 1.00 0.00 H new ATOM 234 N VAL A 40 -0.194 -6.841 1.443 1.00 0.00 N ATOM 235 CA VAL A 40 0.086 -5.472 1.020 1.00 0.00 C ATOM 236 C VAL A 40 1.184 -5.422 -0.040 1.00 0.00 C ATOM 237 O VAL A 40 1.078 -4.681 -1.014 1.00 0.00 O ATOM 238 CB VAL A 40 0.502 -4.588 2.213 1.00 0.00 C ATOM 239 CG1 VAL A 40 0.747 -3.156 1.761 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.553 -4.633 3.306 1.00 0.00 C ATOM 0 H VAL A 40 0.004 -7.027 2.426 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.839 -5.087 0.591 1.00 0.00 H new ATOM 0 HB VAL A 40 1.434 -4.980 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.039 -2.549 2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.543 -3.141 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.166 -2.751 1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.241 -4.003 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.502 -4.269 2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.674 -5.659 3.653 1.00 0.00 H new ATOM 250 N ILE A 41 2.234 -6.212 0.154 1.00 0.00 N ATOM 251 CA ILE A 41 3.357 -6.244 -0.781 1.00 0.00 C ATOM 252 C ILE A 41 2.908 -6.582 -2.201 1.00 0.00 C ATOM 253 O ILE A 41 3.153 -5.819 -3.135 1.00 0.00 O ATOM 254 CB ILE A 41 4.427 -7.259 -0.330 1.00 0.00 C ATOM 255 CG1 ILE A 41 5.089 -6.785 0.965 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.473 -7.460 -1.419 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.942 -7.841 1.631 1.00 0.00 C ATOM 0 H ILE A 41 2.333 -6.841 0.951 1.00 0.00 H new ATOM 0 HA ILE A 41 3.787 -5.243 -0.784 1.00 0.00 H new ATOM 0 HB ILE A 41 3.940 -8.216 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.707 -5.914 0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.315 -6.462 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.218 -8.180 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.991 -7.835 -2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.960 -6.509 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.379 -7.434 2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.325 -8.704 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.738 -8.147 0.952 1.00 0.00 H new ATOM 269 N THR A 42 2.252 -7.727 -2.358 1.00 0.00 N ATOM 270 CA THR A 42 1.786 -8.172 -3.668 1.00 0.00 C ATOM 271 C THR A 42 0.903 -7.126 -4.346 1.00 0.00 C ATOM 272 O THR A 42 1.216 -6.659 -5.441 1.00 0.00 O ATOM 273 CB THR A 42 1.008 -9.496 -3.567 1.00 0.00 C ATOM 274 OG1 THR A 42 1.812 -10.487 -2.914 1.00 0.00 O ATOM 275 CG2 THR A 42 0.607 -9.995 -4.948 1.00 0.00 C ATOM 0 H THR A 42 2.030 -8.365 -1.594 1.00 0.00 H new ATOM 0 HA THR A 42 2.679 -8.323 -4.274 1.00 0.00 H new ATOM 0 HB THR A 42 0.104 -9.317 -2.985 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.774 -10.352 -1.944 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.058 -10.932 -4.851 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.026 -9.252 -5.434 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.501 -10.159 -5.550 1.00 0.00 H new ATOM 283 N TRP A 43 -0.200 -6.763 -3.696 1.00 0.00 N ATOM 284 CA TRP A 43 -1.124 -5.779 -4.257 1.00 0.00 C ATOM 285 C TRP A 43 -0.408 -4.479 -4.603 1.00 0.00 C ATOM 286 O TRP A 43 -0.483 -4.003 -5.737 1.00 0.00 O ATOM 287 CB TRP A 43 -2.270 -5.492 -3.282 1.00 0.00 C ATOM 288 CG TRP A 43 -3.239 -4.475 -3.806 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.306 -4.705 -4.626 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.222 -3.065 -3.553 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.953 -3.523 -4.900 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.307 -2.502 -4.253 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.396 -2.223 -2.802 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.584 -1.138 -4.225 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.673 -0.869 -2.775 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.760 -0.338 -3.482 1.00 0.00 C ATOM 0 H TRP A 43 -0.475 -7.132 -2.786 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.533 -6.203 -5.174 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.802 -6.420 -3.072 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.857 -5.140 -2.337 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.599 -5.673 -5.004 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.780 -3.422 -5.489 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.557 -2.623 -2.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.420 -0.726 -4.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.041 -0.209 -2.199 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.951 0.724 -3.439 1.00 0.00 H new ATOM 307 N CYS A 44 0.281 -3.909 -3.619 1.00 0.00 N ATOM 308 CA CYS A 44 1.008 -2.655 -3.808 1.00 0.00 C ATOM 309 C CYS A 44 1.829 -2.676 -5.090 1.00 0.00 C ATOM 310 O CYS A 44 1.513 -1.976 -6.045 1.00 0.00 O ATOM 311 CB CYS A 44 1.929 -2.385 -2.618 1.00 0.00 C ATOM 312 SG CYS A 44 3.059 -0.996 -2.864 1.00 0.00 S ATOM 0 H CYS A 44 0.352 -4.297 -2.678 1.00 0.00 H new ATOM 0 HA CYS A 44 0.269 -1.858 -3.883 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.319 -2.192 -1.736 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.512 -3.283 -2.412 1.00 0.00 H new ATOM 0 HG CYS A 44 2.785 -0.057 -2.008 1.00 0.00 H new ATOM 318 N ILE A 45 2.879 -3.488 -5.099 1.00 0.00 N ATOM 319 CA ILE A 45 3.767 -3.601 -6.252 1.00 0.00 C ATOM 320 C ILE A 45 2.994 -3.795 -7.557 1.00 0.00 C ATOM 321 O ILE A 45 3.155 -3.025 -8.504 1.00 0.00 O ATOM 322 CB ILE A 45 4.749 -4.774 -6.072 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.542 -4.607 -4.774 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.687 -4.869 -7.265 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.393 -5.810 -4.423 1.00 0.00 C ATOM 0 H ILE A 45 3.139 -4.084 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 45 4.318 -2.663 -6.314 1.00 0.00 H new ATOM 0 HB ILE A 45 4.178 -5.701 -6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.185 -3.731 -4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.848 -4.413 -3.956 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.374 -5.703 -7.122 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.106 -5.030 -8.173 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.254 -3.943 -7.356 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.926 -5.619 -3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.754 -6.685 -4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.112 -5.993 -5.222 1.00 0.00 H new ATOM 337 N SER A 46 2.152 -4.822 -7.596 1.00 0.00 N ATOM 338 CA SER A 46 1.369 -5.138 -8.790 1.00 0.00 C ATOM 339 C SER A 46 0.488 -3.972 -9.241 1.00 0.00 C ATOM 340 O SER A 46 -0.040 -3.989 -10.354 1.00 0.00 O ATOM 341 CB SER A 46 0.499 -6.370 -8.534 1.00 0.00 C ATOM 342 OG SER A 46 1.294 -7.496 -8.205 1.00 0.00 O ATOM 0 H SER A 46 1.992 -5.454 -6.811 1.00 0.00 H new ATOM 0 HA SER A 46 2.079 -5.340 -9.592 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.199 -6.164 -7.722 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.098 -6.588 -9.420 1.00 0.00 H new ATOM 0 HG SER A 46 1.466 -7.504 -7.240 1.00 0.00 H new ATOM 348 N THR A 47 0.328 -2.962 -8.390 1.00 0.00 N ATOM 349 CA THR A 47 -0.508 -1.813 -8.735 1.00 0.00 C ATOM 350 C THR A 47 0.217 -0.483 -8.536 1.00 0.00 C ATOM 351 O THR A 47 -0.352 0.576 -8.796 1.00 0.00 O ATOM 352 CB THR A 47 -1.800 -1.785 -7.894 1.00 0.00 C ATOM 353 OG1 THR A 47 -1.480 -1.571 -6.514 1.00 0.00 O ATOM 354 CG2 THR A 47 -2.579 -3.083 -8.040 1.00 0.00 C ATOM 0 H THR A 47 0.760 -2.914 -7.467 1.00 0.00 H new ATOM 0 HA THR A 47 -0.749 -1.932 -9.791 1.00 0.00 H new ATOM 0 HB THR A 47 -2.422 -0.967 -8.258 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.081 -2.384 -6.141 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.485 -3.034 -7.436 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.848 -3.230 -9.086 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.963 -3.917 -7.703 1.00 0.00 H new ATOM 362 N LEU A 48 1.464 -0.531 -8.079 1.00 0.00 N ATOM 363 CA LEU A 48 2.216 0.696 -7.841 1.00 0.00 C ATOM 364 C LEU A 48 3.091 1.070 -9.034 1.00 0.00 C ATOM 365 O LEU A 48 2.823 2.056 -9.721 1.00 0.00 O ATOM 366 CB LEU A 48 3.083 0.559 -6.588 1.00 0.00 C ATOM 367 CG LEU A 48 3.322 1.863 -5.827 1.00 0.00 C ATOM 368 CD1 LEU A 48 2.052 2.301 -5.115 1.00 0.00 C ATOM 369 CD2 LEU A 48 4.461 1.700 -4.834 1.00 0.00 C ATOM 0 H LEU A 48 1.969 -1.392 -7.869 1.00 0.00 H new ATOM 0 HA LEU A 48 1.489 1.494 -7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.612 -0.157 -5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.048 0.140 -6.875 1.00 0.00 H new ATOM 0 HG LEU A 48 3.600 2.635 -6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.238 3.231 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.260 2.457 -5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.746 1.529 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.617 2.638 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.212 0.915 -4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.373 1.430 -5.367 1.00 0.00 H new ATOM 381 N GLU A 49 4.134 0.283 -9.280 1.00 0.00 N ATOM 382 CA GLU A 49 5.043 0.558 -10.387 1.00 0.00 C ATOM 383 C GLU A 49 5.508 -0.722 -11.080 1.00 0.00 C ATOM 384 O GLU A 49 5.044 -1.053 -12.171 1.00 0.00 O ATOM 385 CB GLU A 49 6.252 1.351 -9.888 1.00 0.00 C ATOM 386 CG GLU A 49 7.195 1.790 -10.997 1.00 0.00 C ATOM 387 CD GLU A 49 8.365 2.603 -10.478 1.00 0.00 C ATOM 388 OE1 GLU A 49 8.213 3.833 -10.328 1.00 0.00 O ATOM 389 OE2 GLU A 49 9.435 2.009 -10.223 1.00 0.00 O ATOM 0 H GLU A 49 4.370 -0.544 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 49 4.495 1.148 -11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.901 2.233 -9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.805 0.742 -9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.571 0.910 -11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.642 2.381 -11.727 1.00 0.00 H new ATOM 396 N VAL A 50 6.428 -1.435 -10.434 1.00 0.00 N ATOM 397 CA VAL A 50 6.983 -2.665 -10.993 1.00 0.00 C ATOM 398 C VAL A 50 6.141 -3.885 -10.630 1.00 0.00 C ATOM 399 O VAL A 50 5.045 -3.759 -10.087 1.00 0.00 O ATOM 400 CB VAL A 50 8.430 -2.893 -10.507 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.284 -1.658 -10.751 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.451 -3.274 -9.034 1.00 0.00 C ATOM 0 H VAL A 50 6.805 -1.181 -9.521 1.00 0.00 H new ATOM 0 HA VAL A 50 6.976 -2.543 -12.076 1.00 0.00 H new ATOM 0 HB VAL A 50 8.852 -3.718 -11.081 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.299 -1.843 -10.400 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.304 -1.434 -11.818 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.862 -0.811 -10.210 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.481 -3.430 -8.713 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.005 -2.473 -8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.882 -4.192 -8.888 1.00 0.00 H new ATOM 412 N GLU A 51 6.667 -5.066 -10.945 1.00 0.00 N ATOM 413 CA GLU A 51 5.987 -6.322 -10.650 1.00 0.00 C ATOM 414 C GLU A 51 6.690 -7.047 -9.508 1.00 0.00 C ATOM 415 O GLU A 51 7.607 -6.502 -8.894 1.00 0.00 O ATOM 416 CB GLU A 51 5.959 -7.216 -11.890 1.00 0.00 C ATOM 417 CG GLU A 51 7.341 -7.498 -12.461 1.00 0.00 C ATOM 418 CD GLU A 51 7.316 -8.555 -13.547 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.326 -9.757 -13.205 1.00 0.00 O ATOM 420 OE2 GLU A 51 7.287 -8.183 -14.738 1.00 0.00 O ATOM 0 H GLU A 51 7.569 -5.178 -11.408 1.00 0.00 H new ATOM 0 HA GLU A 51 4.963 -6.098 -10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.478 -8.161 -11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.346 -6.742 -12.657 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.758 -6.576 -12.866 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.003 -7.822 -11.658 1.00 0.00 H new ATOM 427 N GLU A 52 6.264 -8.276 -9.226 1.00 0.00 N ATOM 428 CA GLU A 52 6.872 -9.053 -8.152 1.00 0.00 C ATOM 429 C GLU A 52 8.218 -9.620 -8.591 1.00 0.00 C ATOM 430 O GLU A 52 8.348 -10.815 -8.863 1.00 0.00 O ATOM 431 CB GLU A 52 5.939 -10.188 -7.722 1.00 0.00 C ATOM 432 CG GLU A 52 4.589 -9.705 -7.219 1.00 0.00 C ATOM 433 CD GLU A 52 3.652 -10.849 -6.878 1.00 0.00 C ATOM 434 OE1 GLU A 52 3.737 -11.365 -5.743 1.00 0.00 O ATOM 435 OE2 GLU A 52 2.837 -11.226 -7.744 1.00 0.00 O ATOM 0 H GLU A 52 5.508 -8.750 -9.721 1.00 0.00 H new ATOM 0 HA GLU A 52 7.036 -8.390 -7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.784 -10.860 -8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.424 -10.769 -6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.735 -9.084 -6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.126 -9.075 -7.979 1.00 0.00 H new ATOM 442 N THR A 53 9.216 -8.744 -8.664 1.00 0.00 N ATOM 443 CA THR A 53 10.565 -9.133 -9.056 1.00 0.00 C ATOM 444 C THR A 53 11.596 -8.356 -8.250 1.00 0.00 C ATOM 445 O THR A 53 12.555 -8.921 -7.722 1.00 0.00 O ATOM 446 CB THR A 53 10.815 -8.888 -10.556 1.00 0.00 C ATOM 447 OG1 THR A 53 10.594 -7.507 -10.870 1.00 0.00 O ATOM 448 CG2 THR A 53 9.903 -9.757 -11.408 1.00 0.00 C ATOM 0 H THR A 53 9.113 -7.751 -8.454 1.00 0.00 H new ATOM 0 HA THR A 53 10.663 -10.200 -8.856 1.00 0.00 H new ATOM 0 HB THR A 53 11.850 -9.151 -10.776 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.757 -7.359 -11.825 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.099 -9.565 -12.463 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.093 -10.808 -11.189 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.863 -9.522 -11.184 1.00 0.00 H new ATOM 456 N ASP A 54 11.380 -7.047 -8.168 1.00 0.00 N ATOM 457 CA ASP A 54 12.269 -6.153 -7.439 1.00 0.00 C ATOM 458 C ASP A 54 12.277 -6.485 -5.944 1.00 0.00 C ATOM 459 O ASP A 54 11.257 -6.899 -5.392 1.00 0.00 O ATOM 460 CB ASP A 54 11.824 -4.705 -7.666 1.00 0.00 C ATOM 461 CG ASP A 54 12.638 -3.701 -6.874 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.708 -3.284 -7.367 1.00 0.00 O ATOM 463 OD2 ASP A 54 12.205 -3.327 -5.764 1.00 0.00 O ATOM 0 H ASP A 54 10.586 -6.578 -8.604 1.00 0.00 H new ATOM 0 HA ASP A 54 13.285 -6.283 -7.811 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.901 -4.470 -8.727 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.773 -4.607 -7.394 1.00 0.00 H new ATOM 468 N PRO A 55 13.433 -6.316 -5.269 1.00 0.00 N ATOM 469 CA PRO A 55 13.569 -6.597 -3.830 1.00 0.00 C ATOM 470 C PRO A 55 12.600 -5.793 -2.963 1.00 0.00 C ATOM 471 O PRO A 55 12.619 -5.911 -1.739 1.00 0.00 O ATOM 472 CB PRO A 55 15.013 -6.194 -3.516 1.00 0.00 C ATOM 473 CG PRO A 55 15.721 -6.256 -4.824 1.00 0.00 C ATOM 474 CD PRO A 55 14.707 -5.855 -5.855 1.00 0.00 C ATOM 0 HA PRO A 55 13.339 -7.640 -3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.060 -5.192 -3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.463 -6.871 -2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.579 -5.584 -4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.099 -7.260 -5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.707 -4.778 -6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 55 14.902 -6.328 -6.818 1.00 0.00 H new ATOM 482 N LEU A 56 11.768 -4.969 -3.601 1.00 0.00 N ATOM 483 CA LEU A 56 10.791 -4.147 -2.886 1.00 0.00 C ATOM 484 C LEU A 56 10.100 -4.943 -1.779 1.00 0.00 C ATOM 485 O LEU A 56 9.790 -4.404 -0.716 1.00 0.00 O ATOM 486 CB LEU A 56 9.738 -3.608 -3.861 1.00 0.00 C ATOM 487 CG LEU A 56 9.457 -2.104 -3.766 1.00 0.00 C ATOM 488 CD1 LEU A 56 8.291 -1.724 -4.666 1.00 0.00 C ATOM 489 CD2 LEU A 56 9.169 -1.694 -2.329 1.00 0.00 C ATOM 0 H LEU A 56 11.751 -4.853 -4.614 1.00 0.00 H new ATOM 0 HA LEU A 56 11.328 -3.315 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.059 -3.836 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.805 -4.145 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 56 10.347 -1.572 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.104 -0.653 -4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.532 -1.975 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.400 -2.271 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.973 -0.623 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.297 -2.236 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.031 -1.929 -1.704 1.00 0.00 H new ATOM 501 N CYS A 57 9.864 -6.227 -2.037 1.00 0.00 N ATOM 502 CA CYS A 57 9.207 -7.097 -1.070 1.00 0.00 C ATOM 503 C CYS A 57 10.063 -7.276 0.181 1.00 0.00 C ATOM 504 O CYS A 57 9.559 -7.211 1.299 1.00 0.00 O ATOM 505 CB CYS A 57 8.910 -8.460 -1.697 1.00 0.00 C ATOM 506 SG CYS A 57 10.372 -9.323 -2.322 1.00 0.00 S ATOM 0 H CYS A 57 10.119 -6.687 -2.911 1.00 0.00 H new ATOM 0 HA CYS A 57 8.269 -6.625 -0.779 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.420 -9.090 -0.955 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.204 -8.324 -2.516 1.00 0.00 H new ATOM 0 HG CYS A 57 10.017 -10.466 -2.830 1.00 0.00 H new ATOM 512 N GLN A 58 11.358 -7.503 -0.018 1.00 0.00 N ATOM 513 CA GLN A 58 12.285 -7.694 1.092 1.00 0.00 C ATOM 514 C GLN A 58 12.264 -6.500 2.044 1.00 0.00 C ATOM 515 O GLN A 58 12.190 -6.669 3.262 1.00 0.00 O ATOM 516 CB GLN A 58 13.705 -7.916 0.567 1.00 0.00 C ATOM 517 CG GLN A 58 14.724 -8.183 1.665 1.00 0.00 C ATOM 518 CD GLN A 58 16.117 -8.431 1.121 1.00 0.00 C ATOM 519 OE1 GLN A 58 16.902 -7.500 0.946 1.00 0.00 O ATOM 520 NE2 GLN A 58 16.432 -9.693 0.854 1.00 0.00 N ATOM 0 H GLN A 58 11.790 -7.559 -0.940 1.00 0.00 H new ATOM 0 HA GLN A 58 11.964 -8.577 1.645 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.700 -8.758 -0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.015 -7.038 -0.000 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.750 -7.332 2.346 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.406 -9.048 2.248 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.750 -10.434 1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.356 -9.922 0.489 1.00 0.00 H new ATOM 529 N ARG A 59 12.332 -5.296 1.484 1.00 0.00 N ATOM 530 CA ARG A 59 12.325 -4.077 2.288 1.00 0.00 C ATOM 531 C ARG A 59 11.028 -3.946 3.083 1.00 0.00 C ATOM 532 O ARG A 59 11.034 -3.490 4.226 1.00 0.00 O ATOM 533 CB ARG A 59 12.523 -2.846 1.398 1.00 0.00 C ATOM 534 CG ARG A 59 13.984 -2.514 1.124 1.00 0.00 C ATOM 535 CD ARG A 59 14.679 -3.621 0.346 1.00 0.00 C ATOM 536 NE ARG A 59 16.087 -3.316 0.101 1.00 0.00 N ATOM 537 CZ ARG A 59 16.935 -4.161 -0.479 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.521 -5.355 -0.877 1.00 0.00 N ATOM 539 NH2 ARG A 59 18.201 -3.808 -0.662 1.00 0.00 N ATOM 0 H ARG A 59 12.393 -5.138 0.478 1.00 0.00 H new ATOM 0 HA ARG A 59 13.153 -4.140 2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.013 -3.010 0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.047 -1.987 1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.046 -1.582 0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.503 -2.353 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.602 -4.557 0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.169 -3.770 -0.606 1.00 0.00 H new ATOM 0 HE ARG A 59 16.439 -2.404 0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.548 -5.630 -0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.175 -6.000 -1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 59 18.523 -2.889 -0.358 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.852 -4.455 -1.107 1.00 0.00 H new ATOM 553 N LEU A 60 9.918 -4.347 2.471 1.00 0.00 N ATOM 554 CA LEU A 60 8.615 -4.272 3.124 1.00 0.00 C ATOM 555 C LEU A 60 8.465 -5.363 4.182 1.00 0.00 C ATOM 556 O LEU A 60 7.800 -5.165 5.198 1.00 0.00 O ATOM 557 CB LEU A 60 7.494 -4.393 2.089 1.00 0.00 C ATOM 558 CG LEU A 60 7.438 -3.264 1.057 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.461 -3.607 -0.056 1.00 0.00 C ATOM 560 CD2 LEU A 60 7.046 -1.952 1.722 1.00 0.00 C ATOM 0 H LEU A 60 9.894 -4.727 1.525 1.00 0.00 H new ATOM 0 HA LEU A 60 8.544 -3.303 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.608 -5.340 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.539 -4.433 2.613 1.00 0.00 H new ATOM 0 HG LEU A 60 8.430 -3.148 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.434 -2.793 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.781 -4.523 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.466 -3.751 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.011 -1.161 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.065 -2.057 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.781 -1.697 2.485 1.00 0.00 H new ATOM 572 N ARG A 61 9.084 -6.514 3.936 1.00 0.00 N ATOM 573 CA ARG A 61 9.012 -7.634 4.871 1.00 0.00 C ATOM 574 C ARG A 61 9.817 -7.347 6.134 1.00 0.00 C ATOM 575 O ARG A 61 9.429 -7.754 7.230 1.00 0.00 O ATOM 576 CB ARG A 61 9.516 -8.918 4.209 1.00 0.00 C ATOM 577 CG ARG A 61 8.562 -9.477 3.166 1.00 0.00 C ATOM 578 CD ARG A 61 9.113 -10.739 2.524 1.00 0.00 C ATOM 579 NE ARG A 61 9.231 -11.835 3.482 1.00 0.00 N ATOM 580 CZ ARG A 61 9.826 -12.992 3.209 1.00 0.00 C ATOM 581 NH1 ARG A 61 10.363 -13.202 2.015 1.00 0.00 N ATOM 582 NH2 ARG A 61 9.887 -13.940 4.134 1.00 0.00 N ATOM 0 H ARG A 61 9.640 -6.696 3.100 1.00 0.00 H new ATOM 0 HA ARG A 61 7.968 -7.767 5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.480 -8.721 3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.684 -9.672 4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.600 -9.695 3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.382 -8.726 2.397 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.462 -11.043 1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.091 -10.528 2.092 1.00 0.00 H new ATOM 0 HE ARG A 61 8.835 -11.705 4.413 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.321 -12.474 1.302 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.819 -14.091 1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.477 -13.781 5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.343 -14.828 3.925 1.00 0.00 H new ATOM 596 N GLU A 62 10.938 -6.649 5.975 1.00 0.00 N ATOM 597 CA GLU A 62 11.785 -6.302 7.110 1.00 0.00 C ATOM 598 C GLU A 62 10.966 -5.564 8.161 1.00 0.00 C ATOM 599 O GLU A 62 11.125 -5.785 9.361 1.00 0.00 O ATOM 600 CB GLU A 62 12.965 -5.440 6.651 1.00 0.00 C ATOM 601 CG GLU A 62 14.121 -5.394 7.639 1.00 0.00 C ATOM 602 CD GLU A 62 13.801 -4.591 8.885 1.00 0.00 C ATOM 603 OE1 GLU A 62 13.724 -3.348 8.788 1.00 0.00 O ATOM 604 OE2 GLU A 62 13.626 -5.205 9.959 1.00 0.00 O ATOM 0 H GLU A 62 11.279 -6.314 5.074 1.00 0.00 H new ATOM 0 HA GLU A 62 12.179 -7.218 7.549 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.331 -5.821 5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.612 -4.424 6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.387 -6.411 7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.994 -4.963 7.149 1.00 0.00 H new ATOM 611 N ASN A 63 10.082 -4.691 7.693 1.00 0.00 N ATOM 612 CA ASN A 63 9.217 -3.926 8.579 1.00 0.00 C ATOM 613 C ASN A 63 7.771 -4.371 8.415 1.00 0.00 C ATOM 614 O ASN A 63 7.067 -3.898 7.528 1.00 0.00 O ATOM 615 CB ASN A 63 9.337 -2.429 8.288 1.00 0.00 C ATOM 616 CG ASN A 63 10.733 -1.899 8.548 1.00 0.00 C ATOM 617 OD1 ASN A 63 11.049 -1.470 9.658 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.577 -1.925 7.523 1.00 0.00 N ATOM 0 H ASN A 63 9.946 -4.496 6.701 1.00 0.00 H new ATOM 0 HA ASN A 63 9.531 -4.108 9.607 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.068 -2.241 7.249 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.623 -1.883 8.906 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.530 -1.581 7.638 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.272 -2.289 6.620 1.00 0.00 H new ATOM 625 N ASP A 64 7.345 -5.305 9.259 1.00 0.00 N ATOM 626 CA ASP A 64 5.979 -5.813 9.212 1.00 0.00 C ATOM 627 C ASP A 64 4.969 -4.668 9.231 1.00 0.00 C ATOM 628 O ASP A 64 4.683 -4.098 10.284 1.00 0.00 O ATOM 629 CB ASP A 64 5.721 -6.751 10.393 1.00 0.00 C ATOM 630 CG ASP A 64 6.738 -7.871 10.473 1.00 0.00 C ATOM 631 OD1 ASP A 64 6.562 -8.885 9.765 1.00 0.00 O ATOM 632 OD2 ASP A 64 7.712 -7.736 11.243 1.00 0.00 O ATOM 0 H ASP A 64 7.926 -5.726 9.984 1.00 0.00 H new ATOM 0 HA ASP A 64 5.857 -6.366 8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.742 -6.178 11.320 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.722 -7.177 10.304 1.00 0.00 H new ATOM 637 N ILE A 65 4.436 -4.332 8.058 1.00 0.00 N ATOM 638 CA ILE A 65 3.458 -3.255 7.942 1.00 0.00 C ATOM 639 C ILE A 65 2.038 -3.808 7.873 1.00 0.00 C ATOM 640 O ILE A 65 1.789 -4.836 7.244 1.00 0.00 O ATOM 641 CB ILE A 65 3.714 -2.379 6.691 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.089 -1.706 6.763 1.00 0.00 C ATOM 643 CG2 ILE A 65 2.620 -1.331 6.537 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.288 -0.838 7.988 1.00 0.00 C ATOM 0 H ILE A 65 4.665 -4.790 7.176 1.00 0.00 H new ATOM 0 HA ILE A 65 3.568 -2.638 8.834 1.00 0.00 H new ATOM 0 HB ILE A 65 3.698 -3.030 5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.860 -2.476 6.747 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.230 -1.095 5.871 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.818 -0.726 5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.655 -1.826 6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.603 -0.690 7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.285 -0.398 7.964 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.541 -0.044 7.997 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.181 -1.446 8.886 1.00 0.00 H new ATOM 656 N VAL A 66 1.114 -3.115 8.529 1.00 0.00 N ATOM 657 CA VAL A 66 -0.285 -3.518 8.541 1.00 0.00 C ATOM 658 C VAL A 66 -1.151 -2.442 7.889 1.00 0.00 C ATOM 659 O VAL A 66 -0.704 -1.312 7.693 1.00 0.00 O ATOM 660 CB VAL A 66 -0.774 -3.787 9.980 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.747 -2.511 10.806 1.00 0.00 C ATOM 662 CG2 VAL A 66 -2.167 -4.403 9.980 1.00 0.00 C ATOM 0 H VAL A 66 1.311 -2.268 9.061 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.373 -4.443 7.971 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.092 -4.504 10.438 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.096 -2.724 11.816 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.272 -2.126 10.847 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.398 -1.767 10.347 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.486 -4.582 11.007 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.866 -3.721 9.496 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.147 -5.348 9.437 1.00 0.00 H new ATOM 672 N GLY A 67 -2.384 -2.800 7.545 1.00 0.00 N ATOM 673 CA GLY A 67 -3.287 -1.854 6.911 1.00 0.00 C ATOM 674 C GLY A 67 -3.479 -0.582 7.720 1.00 0.00 C ATOM 675 O GLY A 67 -3.485 0.516 7.164 1.00 0.00 O ATOM 0 H GLY A 67 -2.775 -3.730 7.694 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.900 -1.596 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.255 -2.331 6.759 1.00 0.00 H new ATOM 679 N ASP A 68 -3.638 -0.731 9.032 1.00 0.00 N ATOM 680 CA ASP A 68 -3.840 0.415 9.915 1.00 0.00 C ATOM 681 C ASP A 68 -2.529 1.151 10.185 1.00 0.00 C ATOM 682 O ASP A 68 -2.488 2.085 10.986 1.00 0.00 O ATOM 683 CB ASP A 68 -4.463 -0.036 11.237 1.00 0.00 C ATOM 684 CG ASP A 68 -3.579 -1.011 11.990 1.00 0.00 C ATOM 685 OD1 ASP A 68 -2.704 -0.552 12.754 1.00 0.00 O ATOM 686 OD2 ASP A 68 -3.761 -2.235 11.815 1.00 0.00 O ATOM 0 H ASP A 68 -3.631 -1.633 9.508 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.519 1.104 9.412 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.652 0.836 11.863 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.428 -0.502 11.040 1.00 0.00 H new ATOM 691 N LEU A 69 -1.462 0.729 9.515 1.00 0.00 N ATOM 692 CA LEU A 69 -0.152 1.349 9.692 1.00 0.00 C ATOM 693 C LEU A 69 0.302 2.045 8.411 1.00 0.00 C ATOM 694 O LEU A 69 1.193 2.895 8.439 1.00 0.00 O ATOM 695 CB LEU A 69 0.878 0.297 10.112 1.00 0.00 C ATOM 696 CG LEU A 69 2.298 0.819 10.347 1.00 0.00 C ATOM 697 CD1 LEU A 69 2.313 1.845 11.471 1.00 0.00 C ATOM 698 CD2 LEU A 69 3.242 -0.332 10.661 1.00 0.00 C ATOM 0 H LEU A 69 -1.478 -0.039 8.844 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.235 2.100 10.477 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.530 -0.181 11.027 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.916 -0.475 9.344 1.00 0.00 H new ATOM 0 HG LEU A 69 2.641 1.307 9.435 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.331 2.204 11.623 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.668 2.683 11.207 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.950 1.384 12.390 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.247 0.056 10.825 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.901 -0.848 11.559 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.255 -1.030 9.824 1.00 0.00 H new ATOM 710 N LEU A 70 -0.316 1.684 7.290 1.00 0.00 N ATOM 711 CA LEU A 70 0.031 2.274 6.001 1.00 0.00 C ATOM 712 C LEU A 70 -0.211 3.790 5.981 1.00 0.00 C ATOM 713 O LEU A 70 0.641 4.541 5.508 1.00 0.00 O ATOM 714 CB LEU A 70 -0.750 1.600 4.865 1.00 0.00 C ATOM 715 CG LEU A 70 -0.291 0.185 4.505 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.277 -0.467 3.550 1.00 0.00 C ATOM 717 CD2 LEU A 70 1.100 0.218 3.891 1.00 0.00 C ATOM 0 H LEU A 70 -1.059 0.986 7.248 1.00 0.00 H new ATOM 0 HA LEU A 70 1.097 2.104 5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.803 1.563 5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.677 2.225 3.975 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.252 -0.408 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.935 -1.472 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.258 -0.522 4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.346 0.126 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.411 -0.796 3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.084 0.826 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.803 0.648 4.605 1.00 0.00 H new ATOM 729 N PRO A 71 -1.370 4.273 6.488 1.00 0.00 N ATOM 730 CA PRO A 71 -1.685 5.705 6.500 1.00 0.00 C ATOM 731 C PRO A 71 -0.959 6.460 7.610 1.00 0.00 C ATOM 732 O PRO A 71 -0.786 7.676 7.533 1.00 0.00 O ATOM 733 CB PRO A 71 -3.205 5.747 6.739 1.00 0.00 C ATOM 734 CG PRO A 71 -3.665 4.323 6.731 1.00 0.00 C ATOM 735 CD PRO A 71 -2.465 3.496 7.082 1.00 0.00 C ATOM 0 HA PRO A 71 -1.371 6.186 5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.437 6.226 7.690 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.706 6.323 5.961 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.468 4.169 7.451 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.057 4.046 5.752 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.348 3.385 8.160 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.526 2.492 6.663 1.00 0.00 H new ATOM 743 N GLU A 72 -0.536 5.734 8.642 1.00 0.00 N ATOM 744 CA GLU A 72 0.164 6.346 9.768 1.00 0.00 C ATOM 745 C GLU A 72 1.573 6.781 9.377 1.00 0.00 C ATOM 746 O GLU A 72 2.088 7.774 9.889 1.00 0.00 O ATOM 747 CB GLU A 72 0.228 5.374 10.948 1.00 0.00 C ATOM 748 CG GLU A 72 -1.137 4.956 11.469 1.00 0.00 C ATOM 749 CD GLU A 72 -1.051 4.152 12.751 1.00 0.00 C ATOM 750 OE1 GLU A 72 -0.661 2.967 12.685 1.00 0.00 O ATOM 751 OE2 GLU A 72 -1.375 4.707 13.822 1.00 0.00 O ATOM 0 H GLU A 72 -0.665 4.725 8.722 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.396 7.233 10.063 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.780 4.484 10.645 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.791 5.837 11.759 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.743 5.845 11.642 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.647 4.366 10.708 1.00 0.00 H new ATOM 758 N LEU A 73 2.193 6.033 8.469 1.00 0.00 N ATOM 759 CA LEU A 73 3.545 6.347 8.018 1.00 0.00 C ATOM 760 C LEU A 73 3.552 7.582 7.123 1.00 0.00 C ATOM 761 O LEU A 73 2.571 7.869 6.438 1.00 0.00 O ATOM 762 CB LEU A 73 4.148 5.158 7.266 1.00 0.00 C ATOM 763 CG LEU A 73 4.326 3.883 8.092 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.844 2.751 7.217 1.00 0.00 C ATOM 765 CD2 LEU A 73 5.273 4.128 9.259 1.00 0.00 C ATOM 0 H LEU A 73 1.782 5.208 8.032 1.00 0.00 H new ATOM 0 HA LEU A 73 4.150 6.556 8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.512 4.931 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.120 5.454 6.872 1.00 0.00 H new ATOM 0 HG LEU A 73 3.354 3.595 8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.965 1.851 7.820 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.133 2.557 6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.806 3.033 6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.387 3.209 9.834 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.246 4.441 8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.866 4.910 9.900 1.00 0.00 H new ATOM 777 N CYS A 74 4.667 8.306 7.135 1.00 0.00 N ATOM 778 CA CYS A 74 4.809 9.507 6.320 1.00 0.00 C ATOM 779 C CYS A 74 5.646 9.222 5.078 1.00 0.00 C ATOM 780 O CYS A 74 6.042 8.082 4.835 1.00 0.00 O ATOM 781 CB CYS A 74 5.448 10.632 7.138 1.00 0.00 C ATOM 782 SG CYS A 74 7.046 10.198 7.862 1.00 0.00 S ATOM 0 H CYS A 74 5.486 8.081 7.701 1.00 0.00 H new ATOM 0 HA CYS A 74 3.815 9.822 6.001 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.576 11.505 6.498 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.765 10.920 7.937 1.00 0.00 H new ATOM 0 HG CYS A 74 6.979 9.007 8.378 1.00 0.00 H new ATOM 788 N LEU A 75 5.912 10.263 4.295 1.00 0.00 N ATOM 789 CA LEU A 75 6.703 10.122 3.074 1.00 0.00 C ATOM 790 C LEU A 75 8.150 9.756 3.394 1.00 0.00 C ATOM 791 O LEU A 75 8.918 9.399 2.501 1.00 0.00 O ATOM 792 CB LEU A 75 6.664 11.416 2.254 1.00 0.00 C ATOM 793 CG LEU A 75 5.374 11.660 1.461 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.143 10.543 0.455 1.00 0.00 C ATOM 795 CD2 LEU A 75 4.181 11.793 2.397 1.00 0.00 C ATOM 0 H LEU A 75 5.592 11.213 4.483 1.00 0.00 H new ATOM 0 HA LEU A 75 6.264 9.315 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.819 12.258 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.502 11.408 1.557 1.00 0.00 H new ATOM 0 HG LEU A 75 5.484 12.597 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.223 10.735 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.981 10.500 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.059 9.592 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.277 11.966 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.069 10.876 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.341 12.632 3.074 1.00 0.00 H new ATOM 807 N GLN A 76 8.516 9.850 4.669 1.00 0.00 N ATOM 808 CA GLN A 76 9.873 9.529 5.097 1.00 0.00 C ATOM 809 C GLN A 76 10.047 8.022 5.270 1.00 0.00 C ATOM 810 O GLN A 76 10.919 7.413 4.648 1.00 0.00 O ATOM 811 CB GLN A 76 10.203 10.246 6.408 1.00 0.00 C ATOM 812 CG GLN A 76 11.634 10.031 6.877 1.00 0.00 C ATOM 813 CD GLN A 76 12.659 10.541 5.884 1.00 0.00 C ATOM 814 OE1 GLN A 76 12.413 11.505 5.157 1.00 0.00 O ATOM 815 NE2 GLN A 76 13.819 9.895 5.845 1.00 0.00 N ATOM 0 H GLN A 76 7.894 10.145 5.421 1.00 0.00 H new ATOM 0 HA GLN A 76 10.560 9.870 4.323 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.028 11.314 6.282 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.520 9.900 7.183 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.778 10.535 7.833 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.799 8.968 7.049 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.982 9.101 6.465 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.547 10.193 5.195 1.00 0.00 H new ATOM 824 N ASP A 77 9.212 7.427 6.117 1.00 0.00 N ATOM 825 CA ASP A 77 9.274 5.993 6.374 1.00 0.00 C ATOM 826 C ASP A 77 8.980 5.197 5.107 1.00 0.00 C ATOM 827 O ASP A 77 9.483 4.088 4.928 1.00 0.00 O ATOM 828 CB ASP A 77 8.286 5.606 7.476 1.00 0.00 C ATOM 829 CG ASP A 77 8.557 6.335 8.777 1.00 0.00 C ATOM 830 OD1 ASP A 77 9.407 5.859 9.560 1.00 0.00 O ATOM 831 OD2 ASP A 77 7.919 7.382 9.015 1.00 0.00 O ATOM 0 H ASP A 77 8.484 7.917 6.637 1.00 0.00 H new ATOM 0 HA ASP A 77 10.285 5.754 6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.271 5.826 7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.340 4.531 7.647 1.00 0.00 H new ATOM 836 N CYS A 78 8.161 5.769 4.230 1.00 0.00 N ATOM 837 CA CYS A 78 7.803 5.113 2.978 1.00 0.00 C ATOM 838 C CYS A 78 8.959 5.171 1.986 1.00 0.00 C ATOM 839 O CYS A 78 9.185 4.228 1.226 1.00 0.00 O ATOM 840 CB CYS A 78 6.559 5.766 2.371 1.00 0.00 C ATOM 841 SG CYS A 78 5.070 5.596 3.381 1.00 0.00 S ATOM 0 H CYS A 78 7.733 6.685 4.364 1.00 0.00 H new ATOM 0 HA CYS A 78 7.585 4.067 3.194 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.759 6.826 2.213 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.373 5.327 1.391 1.00 0.00 H new ATOM 0 HG CYS A 78 5.011 6.575 4.235 1.00 0.00 H new ATOM 847 N GLN A 79 9.689 6.282 1.996 1.00 0.00 N ATOM 848 CA GLN A 79 10.825 6.456 1.099 1.00 0.00 C ATOM 849 C GLN A 79 11.903 5.420 1.398 1.00 0.00 C ATOM 850 O GLN A 79 12.541 4.892 0.487 1.00 0.00 O ATOM 851 CB GLN A 79 11.398 7.868 1.227 1.00 0.00 C ATOM 852 CG GLN A 79 12.335 8.248 0.093 1.00 0.00 C ATOM 853 CD GLN A 79 12.681 9.724 0.092 1.00 0.00 C ATOM 854 OE1 GLN A 79 11.902 10.556 0.557 1.00 0.00 O ATOM 855 NE2 GLN A 79 13.852 10.058 -0.438 1.00 0.00 N ATOM 0 H GLN A 79 9.514 7.074 2.615 1.00 0.00 H new ATOM 0 HA GLN A 79 10.479 6.314 0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.576 8.583 1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.934 7.950 2.173 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.252 7.664 0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.872 7.986 -0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 79 14.467 9.335 -0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.136 11.037 -0.471 1.00 0.00 H new ATOM 864 N ASP A 80 12.101 5.137 2.682 1.00 0.00 N ATOM 865 CA ASP A 80 13.092 4.154 3.105 1.00 0.00 C ATOM 866 C ASP A 80 12.704 2.768 2.605 1.00 0.00 C ATOM 867 O ASP A 80 13.562 1.948 2.278 1.00 0.00 O ATOM 868 CB ASP A 80 13.210 4.139 4.629 1.00 0.00 C ATOM 869 CG ASP A 80 14.281 3.183 5.114 1.00 0.00 C ATOM 870 OD1 ASP A 80 15.453 3.604 5.212 1.00 0.00 O ATOM 871 OD2 ASP A 80 13.949 2.011 5.395 1.00 0.00 O ATOM 0 H ASP A 80 11.588 5.575 3.447 1.00 0.00 H new ATOM 0 HA ASP A 80 14.056 4.430 2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.436 5.145 4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.251 3.857 5.063 1.00 0.00 H new ATOM 876 N LEU A 81 11.399 2.524 2.551 1.00 0.00 N ATOM 877 CA LEU A 81 10.871 1.247 2.091 1.00 0.00 C ATOM 878 C LEU A 81 11.048 1.097 0.584 1.00 0.00 C ATOM 879 O LEU A 81 10.925 -0.001 0.041 1.00 0.00 O ATOM 880 CB LEU A 81 9.391 1.135 2.470 1.00 0.00 C ATOM 881 CG LEU A 81 9.088 0.303 3.724 1.00 0.00 C ATOM 882 CD1 LEU A 81 10.121 0.550 4.815 1.00 0.00 C ATOM 883 CD2 LEU A 81 7.695 0.624 4.239 1.00 0.00 C ATOM 0 H LEU A 81 10.684 3.199 2.822 1.00 0.00 H new ATOM 0 HA LEU A 81 11.426 0.444 2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.995 2.140 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.851 0.701 1.629 1.00 0.00 H new ATOM 0 HG LEU A 81 9.135 -0.751 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.878 -0.054 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.110 0.276 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.115 1.605 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.490 0.029 5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.635 1.683 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.960 0.391 3.469 1.00 0.00 H new ATOM 895 N CYS A 82 11.338 2.209 -0.084 1.00 0.00 N ATOM 896 CA CYS A 82 11.542 2.203 -1.528 1.00 0.00 C ATOM 897 C CYS A 82 13.030 2.213 -1.859 1.00 0.00 C ATOM 898 O CYS A 82 13.874 2.165 -0.964 1.00 0.00 O ATOM 899 CB CYS A 82 10.853 3.410 -2.168 1.00 0.00 C ATOM 900 SG CYS A 82 9.067 3.469 -1.896 1.00 0.00 S ATOM 0 H CYS A 82 11.437 3.126 0.352 1.00 0.00 H new ATOM 0 HA CYS A 82 11.102 1.291 -1.932 1.00 0.00 H new ATOM 0 HB2 CYS A 82 11.300 4.322 -1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 82 11.046 3.399 -3.241 1.00 0.00 H new ATOM 0 HG CYS A 82 8.827 3.768 -0.654 1.00 0.00 H new ATOM 906 N ASP A 83 13.346 2.277 -3.149 1.00 0.00 N ATOM 907 CA ASP A 83 14.735 2.294 -3.595 1.00 0.00 C ATOM 908 C ASP A 83 15.447 3.554 -3.113 1.00 0.00 C ATOM 909 O ASP A 83 16.676 3.606 -3.069 1.00 0.00 O ATOM 910 CB ASP A 83 14.800 2.209 -5.121 1.00 0.00 C ATOM 911 CG ASP A 83 14.119 0.965 -5.659 1.00 0.00 C ATOM 912 OD1 ASP A 83 14.792 -0.082 -5.765 1.00 0.00 O ATOM 913 OD2 ASP A 83 12.913 1.038 -5.973 1.00 0.00 O ATOM 0 H ASP A 83 12.660 2.318 -3.903 1.00 0.00 H new ATOM 0 HA ASP A 83 15.240 1.428 -3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 83 14.330 3.093 -5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.843 2.216 -5.439 1.00 0.00 H new ATOM 918 N GLY A 84 14.665 4.568 -2.753 1.00 0.00 N ATOM 919 CA GLY A 84 15.235 5.815 -2.278 1.00 0.00 C ATOM 920 C GLY A 84 14.654 7.023 -2.985 1.00 0.00 C ATOM 921 O GLY A 84 14.934 8.163 -2.612 1.00 0.00 O ATOM 0 H GLY A 84 13.646 4.547 -2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.060 5.906 -1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.315 5.797 -2.424 1.00 0.00 H new ATOM 925 N ASP A 85 13.842 6.773 -4.008 1.00 0.00 N ATOM 926 CA ASP A 85 13.219 7.850 -4.769 1.00 0.00 C ATOM 927 C ASP A 85 12.014 8.414 -4.023 1.00 0.00 C ATOM 928 O ASP A 85 11.158 7.667 -3.548 1.00 0.00 O ATOM 929 CB ASP A 85 12.792 7.348 -6.151 1.00 0.00 C ATOM 930 CG ASP A 85 12.227 8.456 -7.019 1.00 0.00 C ATOM 931 OD1 ASP A 85 13.021 9.157 -7.681 1.00 0.00 O ATOM 932 OD2 ASP A 85 10.990 8.621 -7.038 1.00 0.00 O ATOM 0 H ASP A 85 13.601 5.835 -4.328 1.00 0.00 H new ATOM 0 HA ASP A 85 13.953 8.646 -4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.649 6.899 -6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.044 6.564 -6.035 1.00 0.00 H new ATOM 937 N LEU A 86 11.957 9.738 -3.923 1.00 0.00 N ATOM 938 CA LEU A 86 10.863 10.410 -3.230 1.00 0.00 C ATOM 939 C LEU A 86 9.535 10.193 -3.949 1.00 0.00 C ATOM 940 O LEU A 86 8.557 9.756 -3.340 1.00 0.00 O ATOM 941 CB LEU A 86 11.157 11.907 -3.110 1.00 0.00 C ATOM 942 CG LEU A 86 10.061 12.736 -2.436 1.00 0.00 C ATOM 943 CD1 LEU A 86 9.826 12.261 -1.009 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.431 14.212 -2.453 1.00 0.00 C ATOM 0 H LEU A 86 12.657 10.368 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 86 10.781 9.978 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.083 12.035 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.331 12.308 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 86 9.135 12.602 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.043 12.864 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.519 11.215 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.747 12.363 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.643 14.790 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.369 14.358 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.547 14.546 -3.484 1.00 0.00 H new ATOM 956 N ASN A 87 9.505 10.505 -5.243 1.00 0.00 N ATOM 957 CA ASN A 87 8.294 10.345 -6.045 1.00 0.00 C ATOM 958 C ASN A 87 7.699 8.953 -5.867 1.00 0.00 C ATOM 959 O ASN A 87 6.479 8.781 -5.880 1.00 0.00 O ATOM 960 CB ASN A 87 8.599 10.596 -7.523 1.00 0.00 C ATOM 961 CG ASN A 87 8.796 12.067 -7.836 1.00 0.00 C ATOM 962 OD1 ASN A 87 9.594 12.427 -8.702 1.00 0.00 O ATOM 963 ND2 ASN A 87 8.064 12.928 -7.137 1.00 0.00 N ATOM 0 H ASN A 87 10.306 10.870 -5.759 1.00 0.00 H new ATOM 0 HA ASN A 87 7.564 11.077 -5.701 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.497 10.045 -7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.782 10.205 -8.130 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.152 13.930 -7.309 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.414 12.587 -6.428 1.00 0.00 H new ATOM 970 N LYS A 88 8.569 7.962 -5.701 1.00 0.00 N ATOM 971 CA LYS A 88 8.136 6.584 -5.516 1.00 0.00 C ATOM 972 C LYS A 88 7.270 6.455 -4.265 1.00 0.00 C ATOM 973 O LYS A 88 6.172 5.894 -4.308 1.00 0.00 O ATOM 974 CB LYS A 88 9.355 5.666 -5.409 1.00 0.00 C ATOM 975 CG LYS A 88 9.016 4.183 -5.406 1.00 0.00 C ATOM 976 CD LYS A 88 8.482 3.728 -6.755 1.00 0.00 C ATOM 977 CE LYS A 88 8.433 2.212 -6.852 1.00 0.00 C ATOM 978 NZ LYS A 88 7.638 1.610 -5.748 1.00 0.00 N ATOM 0 H LYS A 88 9.581 8.090 -5.691 1.00 0.00 H new ATOM 0 HA LYS A 88 7.539 6.288 -6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.027 5.873 -6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.898 5.906 -4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.906 3.606 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.274 3.980 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.483 4.136 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.114 4.124 -7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.000 1.923 -7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.447 1.814 -6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.120 0.782 -6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.276 1.315 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.962 2.312 -5.385 1.00 0.00 H new ATOM 992 N ALA A 89 7.771 6.984 -3.152 1.00 0.00 N ATOM 993 CA ALA A 89 7.046 6.932 -1.888 1.00 0.00 C ATOM 994 C ALA A 89 5.752 7.734 -1.965 1.00 0.00 C ATOM 995 O ALA A 89 4.789 7.442 -1.257 1.00 0.00 O ATOM 996 CB ALA A 89 7.919 7.444 -0.753 1.00 0.00 C ATOM 0 H ALA A 89 8.675 7.453 -3.101 1.00 0.00 H new ATOM 0 HA ALA A 89 6.788 5.892 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.362 7.398 0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.813 6.826 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.208 8.476 -0.953 1.00 0.00 H new ATOM 1002 N ILE A 90 5.738 8.748 -2.827 1.00 0.00 N ATOM 1003 CA ILE A 90 4.556 9.584 -2.995 1.00 0.00 C ATOM 1004 C ILE A 90 3.391 8.762 -3.536 1.00 0.00 C ATOM 1005 O ILE A 90 2.335 8.687 -2.910 1.00 0.00 O ATOM 1006 CB ILE A 90 4.831 10.775 -3.937 1.00 0.00 C ATOM 1007 CG1 ILE A 90 5.913 11.682 -3.340 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.550 11.560 -4.190 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.273 12.863 -4.217 1.00 0.00 C ATOM 0 H ILE A 90 6.529 9.008 -3.417 1.00 0.00 H new ATOM 0 HA ILE A 90 4.296 9.978 -2.013 1.00 0.00 H new ATOM 0 HB ILE A 90 5.190 10.391 -4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.572 12.050 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.810 11.090 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.761 12.396 -4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.808 10.907 -4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.162 11.938 -3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.044 13.458 -3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.646 12.504 -5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.388 13.479 -4.379 1.00 0.00 H new ATOM 1021 N LYS A 91 3.592 8.145 -4.697 1.00 0.00 N ATOM 1022 CA LYS A 91 2.555 7.322 -5.312 1.00 0.00 C ATOM 1023 C LYS A 91 2.104 6.227 -4.354 1.00 0.00 C ATOM 1024 O LYS A 91 0.941 5.822 -4.357 1.00 0.00 O ATOM 1025 CB LYS A 91 3.067 6.698 -6.612 1.00 0.00 C ATOM 1026 CG LYS A 91 3.328 7.712 -7.716 1.00 0.00 C ATOM 1027 CD LYS A 91 2.054 8.429 -8.138 1.00 0.00 C ATOM 1028 CE LYS A 91 1.050 7.470 -8.761 1.00 0.00 C ATOM 1029 NZ LYS A 91 1.591 6.817 -9.984 1.00 0.00 N ATOM 0 H LYS A 91 4.460 8.199 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 91 1.703 7.962 -5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.989 6.154 -6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.339 5.968 -6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.060 8.443 -7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.763 7.207 -8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.605 8.914 -7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.298 9.215 -8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.777 6.707 -8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.138 8.012 -9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.813 6.378 -10.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.059 7.529 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.280 6.087 -9.712 1.00 0.00 H new ATOM 1043 N PHE A 92 3.039 5.752 -3.537 1.00 0.00 N ATOM 1044 CA PHE A 92 2.748 4.711 -2.559 1.00 0.00 C ATOM 1045 C PHE A 92 1.659 5.174 -1.596 1.00 0.00 C ATOM 1046 O PHE A 92 0.559 4.619 -1.569 1.00 0.00 O ATOM 1047 CB PHE A 92 4.028 4.351 -1.796 1.00 0.00 C ATOM 1048 CG PHE A 92 3.854 3.288 -0.746 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.520 1.990 -1.099 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.041 3.588 0.593 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.377 1.011 -0.132 1.00 0.00 C ATOM 1052 CE2 PHE A 92 3.897 2.614 1.563 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.564 1.324 1.199 1.00 0.00 C ATOM 0 H PHE A 92 4.007 6.073 -3.534 1.00 0.00 H new ATOM 0 HA PHE A 92 2.385 3.824 -3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.780 4.017 -2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.418 5.252 -1.321 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.370 1.740 -2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.302 4.595 0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.119 0.002 -0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.045 2.861 2.604 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.450 0.561 1.955 1.00 0.00 H new ATOM 1063 N LYS A 93 1.970 6.205 -0.817 1.00 0.00 N ATOM 1064 CA LYS A 93 1.022 6.749 0.146 1.00 0.00 C ATOM 1065 C LYS A 93 -0.239 7.252 -0.551 1.00 0.00 C ATOM 1066 O LYS A 93 -1.295 7.373 0.071 1.00 0.00 O ATOM 1067 CB LYS A 93 1.669 7.883 0.938 1.00 0.00 C ATOM 1068 CG LYS A 93 0.763 8.464 2.009 1.00 0.00 C ATOM 1069 CD LYS A 93 1.501 9.463 2.880 1.00 0.00 C ATOM 1070 CE LYS A 93 0.602 10.021 3.968 1.00 0.00 C ATOM 1071 NZ LYS A 93 -0.018 8.942 4.785 1.00 0.00 N ATOM 0 H LYS A 93 2.872 6.680 -0.835 1.00 0.00 H new ATOM 0 HA LYS A 93 0.738 5.950 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.582 7.515 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.961 8.676 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.092 8.951 1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.370 7.659 2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.368 8.982 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.876 10.279 2.262 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.182 10.679 4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.181 10.629 3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.381 9.344 5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.802 8.511 4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.695 8.216 5.000 1.00 0.00 H new ATOM 1085 N ILE A 94 -0.123 7.543 -1.845 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.258 8.035 -2.618 1.00 0.00 C ATOM 1087 C ILE A 94 -2.316 6.953 -2.805 1.00 0.00 C ATOM 1088 O ILE A 94 -3.406 7.042 -2.242 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.821 8.565 -4.003 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.237 9.976 -3.867 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -1.994 8.557 -4.978 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.298 10.542 -5.165 1.00 0.00 C ATOM 0 H ILE A 94 0.742 7.447 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.687 8.858 -2.047 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.049 7.906 -4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.008 10.643 -3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.567 9.957 -3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.665 8.934 -5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.365 7.539 -5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.791 9.193 -4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.694 11.542 -4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.092 9.898 -5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.507 10.594 -5.898 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.990 5.932 -3.596 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.929 4.848 -3.863 1.00 0.00 C ATOM 1106 C LEU A 95 -3.498 4.297 -2.564 1.00 0.00 C ATOM 1107 O LEU A 95 -4.638 3.831 -2.521 1.00 0.00 O ATOM 1108 CB LEU A 95 -2.250 3.731 -4.662 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.823 4.114 -6.083 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -1.192 2.925 -6.789 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -3.009 4.637 -6.881 1.00 0.00 C ATOM 0 H LEU A 95 -1.087 5.834 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.750 5.249 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.370 3.396 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.931 2.882 -4.721 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.081 4.909 -6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.895 3.216 -7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.314 2.595 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.914 2.110 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.682 4.903 -7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.776 3.865 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.419 5.518 -6.388 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.703 4.364 -1.504 1.00 0.00 N ATOM 1124 CA ILE A 96 -3.135 3.881 -0.205 1.00 0.00 C ATOM 1125 C ILE A 96 -4.133 4.843 0.431 1.00 0.00 C ATOM 1126 O ILE A 96 -5.129 4.420 1.022 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.937 3.678 0.741 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.969 2.657 0.144 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.408 3.233 2.118 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.397 2.664 0.791 1.00 0.00 C ATOM 0 H ILE A 96 -1.758 4.748 -1.521 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.622 2.919 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.416 4.629 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.401 1.661 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.857 2.855 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.546 3.095 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.065 3.993 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.951 2.292 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.029 1.914 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.850 3.648 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.298 2.435 1.852 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.863 6.139 0.303 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.739 7.161 0.860 1.00 0.00 C ATOM 1144 C ASN A 97 -6.095 7.143 0.162 1.00 0.00 C ATOM 1145 O ASN A 97 -7.127 7.392 0.782 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.098 8.543 0.726 1.00 0.00 C ATOM 1147 CG ASN A 97 -4.958 9.641 1.322 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -5.784 10.240 0.634 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -4.768 9.908 2.609 1.00 0.00 N ATOM 0 H ASN A 97 -3.044 6.505 -0.182 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.889 6.944 1.918 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.126 8.539 1.219 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.920 8.757 -0.328 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.318 10.635 3.066 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.072 9.386 3.141 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.081 6.847 -1.135 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.310 6.787 -1.918 1.00 0.00 C ATOM 1158 C LYS A 98 -8.205 5.657 -1.424 1.00 0.00 C ATOM 1159 O LYS A 98 -9.388 5.864 -1.152 1.00 0.00 O ATOM 1160 CB LYS A 98 -6.992 6.587 -3.403 1.00 0.00 C ATOM 1161 CG LYS A 98 -6.785 7.885 -4.169 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.580 8.657 -3.656 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.363 9.937 -4.446 1.00 0.00 C ATOM 1164 NZ LYS A 98 -5.104 9.664 -5.887 1.00 0.00 N ATOM 0 H LYS A 98 -5.233 6.645 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.837 7.733 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.094 5.976 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.805 6.029 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.652 7.665 -5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.678 8.505 -4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.722 8.898 -2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.690 8.031 -3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.241 10.576 -4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.521 10.486 -4.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.653 10.494 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.475 8.841 -5.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.004 9.466 -6.370 1.00 0.00 H new ATOM 1178 N MET A 99 -7.632 4.463 -1.310 1.00 0.00 N ATOM 1179 CA MET A 99 -8.376 3.299 -0.845 1.00 0.00 C ATOM 1180 C MET A 99 -8.921 3.533 0.562 1.00 0.00 C ATOM 1181 O MET A 99 -9.946 2.969 0.944 1.00 0.00 O ATOM 1182 CB MET A 99 -7.486 2.054 -0.862 1.00 0.00 C ATOM 1183 CG MET A 99 -8.217 0.776 -0.484 1.00 0.00 C ATOM 1184 SD MET A 99 -7.162 -0.682 -0.580 1.00 0.00 S ATOM 1185 CE MET A 99 -8.323 -1.969 -0.133 1.00 0.00 C ATOM 0 H MET A 99 -6.654 4.277 -1.534 1.00 0.00 H new ATOM 0 HA MET A 99 -9.216 3.141 -1.521 1.00 0.00 H new ATOM 0 HB2 MET A 99 -7.059 1.937 -1.858 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.654 2.203 -0.174 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.607 0.871 0.529 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.074 0.644 -1.144 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.835 -2.686 0.528 1.00 0.00 H new ATOM 0 HE2 MET A 99 -9.177 -1.526 0.379 1.00 0.00 H new ATOM 0 HE3 MET A 99 -8.664 -2.480 -1.033 1.00 0.00 H new ATOM 1195 N ARG A 100 -8.226 4.372 1.328 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.641 4.683 2.692 1.00 0.00 C ATOM 1197 C ARG A 100 -9.895 5.555 2.696 1.00 0.00 C ATOM 1198 O ARG A 100 -10.887 5.225 3.348 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.510 5.391 3.443 1.00 0.00 C ATOM 1200 CG ARG A 100 -7.889 5.814 4.853 1.00 0.00 C ATOM 1201 CD ARG A 100 -6.737 6.510 5.559 1.00 0.00 C ATOM 1202 NE ARG A 100 -7.128 7.021 6.870 1.00 0.00 N ATOM 1203 CZ ARG A 100 -6.379 7.849 7.593 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -5.200 8.251 7.139 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -6.810 8.276 8.772 1.00 0.00 N ATOM 0 H ARG A 100 -7.375 4.847 1.027 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.872 3.745 3.197 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.646 4.728 3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.205 6.272 2.878 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.749 6.482 4.814 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.192 4.938 5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.908 5.812 5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.377 7.333 4.941 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.026 6.726 7.253 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.865 7.925 6.232 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.628 8.886 7.696 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.717 7.970 9.125 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.235 8.911 9.326 1.00 0.00 H new ATOM 1219 N ASP A 101 -9.843 6.666 1.969 1.00 0.00 N ATOM 1220 CA ASP A 101 -10.973 7.587 1.891 1.00 0.00 C ATOM 1221 C ASP A 101 -12.179 6.922 1.234 1.00 0.00 C ATOM 1222 O ASP A 101 -13.321 7.317 1.470 1.00 0.00 O ATOM 1223 CB ASP A 101 -10.585 8.845 1.111 1.00 0.00 C ATOM 1224 CG ASP A 101 -9.599 9.714 1.867 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -10.046 10.537 2.693 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -8.381 9.572 1.634 1.00 0.00 O ATOM 0 H ASP A 101 -9.029 6.952 1.424 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.245 7.868 2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.151 8.556 0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.482 9.424 0.892 1.00 0.00 H new