USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 CYS SG : rot -107:sc= -15.8! USER MOD Set 1.2: A 64 CYS SG : rot -39:sc= -20! USER MOD Single : A 10 LYS NZ :NH3+ -133:sc= -0.259 (180deg=-0.31) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.0935 USER MOD Single : A 26 TYR OH : rot 180:sc= -1.24! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 30 TYR OH : rot 150:sc= -0.85 USER MOD Single : A 32 TYR OH : rot 118:sc= 1.26 USER MOD Single : A 33 ASN : amide:sc= 0.0579 K(o=0.058,f=-4.3!) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.877 F(o=-2.1!,f=-0.88) USER MOD Single : A 35 GLN : amide:sc=-0.00129 X(o=-0.0013,f=-0.008) USER MOD Single : A 36 THR OG1 : rot -96:sc= -1.94 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.3) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -4.64! C(o=-4.6!,f=-10!) USER MOD Single : A 51 MET CE :methyl 150:sc= -0.181 (180deg=-0.774) USER MOD Single : A 52 ASN : amide:sc= -2.58 K(o=-2.6,f=-7.4!) USER MOD Single : A 53 ASN : amide:sc= -12.4! C(o=-12!,f=-14!) USER MOD Single : A 56 THR OG1 : rot -170:sc= -1.38 USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= -2.19 (180deg=-2.44) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 1.126 14.028 11.976 1.00 1.00 N ATOM 146 CA LYS A 10 1.570 15.341 11.539 1.00 1.00 C ATOM 147 C LYS A 10 1.930 15.285 10.053 1.00 1.00 C ATOM 148 O LYS A 10 2.660 14.364 9.658 1.00 1.00 O ATOM 149 CB LYS A 10 2.709 15.844 12.429 1.00 1.00 C ATOM 150 CG LYS A 10 2.369 17.206 13.036 1.00 1.00 C ATOM 151 CD LYS A 10 3.589 18.130 13.029 1.00 1.00 C ATOM 152 CE LYS A 10 3.471 19.185 11.927 1.00 1.00 C ATOM 153 NZ LYS A 10 4.129 18.721 10.695 1.00 1.00 N ATOM 0 HA LYS A 10 0.767 16.070 11.645 1.00 1.00 H new ATOM 0 HB2 LYS A 10 2.898 15.124 13.225 1.00 1.00 H new ATOM 0 HB3 LYS A 10 3.626 15.921 11.844 1.00 1.00 H new ATOM 0 HG2 LYS A 10 1.557 17.666 12.473 1.00 1.00 H new ATOM 0 HG3 LYS A 10 2.014 17.074 14.058 1.00 1.00 H new ATOM 0 HD2 LYS A 10 3.684 18.620 13.998 1.00 1.00 H new ATOM 0 HD3 LYS A 10 4.494 17.542 12.879 1.00 1.00 H new ATOM 0 HE2 LYS A 10 2.420 19.395 11.728 1.00 1.00 H new ATOM 0 HE3 LYS A 10 3.925 20.118 12.259 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 4.733 19.479 10.317 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 4.712 17.886 10.906 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 3.407 18.470 9.990 1.00 1.00 H new ATOM 167 N PRO A 11 1.419 16.253 9.272 1.00 1.00 N ATOM 168 CA PRO A 11 1.663 16.344 7.843 1.00 1.00 C ATOM 169 C PRO A 11 3.163 16.339 7.542 1.00 1.00 C ATOM 170 O PRO A 11 3.826 17.348 7.827 1.00 1.00 O ATOM 171 CB PRO A 11 0.974 17.627 7.407 1.00 1.00 C ATOM 172 CG PRO A 11 0.770 18.442 8.674 1.00 1.00 C ATOM 173 CD PRO A 11 1.002 17.523 9.862 1.00 1.00 C ATOM 0 HA PRO A 11 1.268 15.489 7.294 1.00 1.00 H new ATOM 0 HB2 PRO A 11 1.583 18.172 6.686 1.00 1.00 H new ATOM 0 HB3 PRO A 11 0.021 17.413 6.922 1.00 1.00 H new ATOM 0 HG2 PRO A 11 1.462 19.284 8.702 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -0.238 18.856 8.703 1.00 1.00 H new ATOM 0 HD2 PRO A 11 1.768 17.921 10.527 1.00 1.00 H new ATOM 0 HD3 PRO A 11 0.095 17.405 10.455 1.00 1.00 H new ATOM 181 N ASP A 12 3.661 15.222 6.981 1.00 1.00 N ATOM 182 CA ASP A 12 5.069 15.090 6.646 1.00 1.00 C ATOM 183 C ASP A 12 5.442 16.147 5.604 1.00 1.00 C ATOM 184 O ASP A 12 6.594 16.604 5.615 1.00 1.00 O ATOM 185 CB ASP A 12 5.366 13.713 6.049 1.00 1.00 C ATOM 186 CG ASP A 12 4.649 12.545 6.730 1.00 1.00 C ATOM 187 OD1 ASP A 12 4.679 12.564 8.019 1.00 1.00 O ATOM 188 OD2 ASP A 12 4.090 11.663 6.062 1.00 1.00 O ATOM 0 H ASP A 12 3.098 14.402 6.754 1.00 1.00 H new ATOM 0 HA ASP A 12 5.647 15.219 7.561 1.00 1.00 H new ATOM 0 HB2 ASP A 12 5.091 13.724 4.994 1.00 1.00 H new ATOM 0 HB3 ASP A 12 6.441 13.537 6.096 1.00 1.00 H new ATOM 193 N PHE A 13 4.476 16.509 4.741 1.00 1.00 N ATOM 194 CA PHE A 13 4.702 17.502 3.704 1.00 1.00 C ATOM 195 C PHE A 13 5.269 18.774 4.338 1.00 1.00 C ATOM 196 O PHE A 13 5.980 19.513 3.642 1.00 1.00 O ATOM 197 CB PHE A 13 3.372 17.795 2.984 1.00 1.00 C ATOM 198 CG PHE A 13 2.393 18.648 3.780 1.00 1.00 C ATOM 199 CD1 PHE A 13 2.707 19.991 4.094 1.00 1.00 C ATOM 200 CD2 PHE A 13 1.166 18.098 4.215 1.00 1.00 C ATOM 201 CE1 PHE A 13 1.800 20.777 4.836 1.00 1.00 C ATOM 202 CE2 PHE A 13 0.259 18.885 4.957 1.00 1.00 C ATOM 203 CZ PHE A 13 0.575 20.224 5.267 1.00 1.00 C ATOM 0 H PHE A 13 3.533 16.121 4.751 1.00 1.00 H new ATOM 0 HA PHE A 13 5.419 17.128 2.973 1.00 1.00 H new ATOM 0 HB2 PHE A 13 3.588 18.298 2.041 1.00 1.00 H new ATOM 0 HB3 PHE A 13 2.891 16.848 2.738 1.00 1.00 H new ATOM 0 HD1 PHE A 13 3.644 20.416 3.765 1.00 1.00 H new ATOM 0 HD2 PHE A 13 0.922 17.073 3.979 1.00 1.00 H new ATOM 0 HE1 PHE A 13 2.043 21.802 5.074 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -0.678 18.461 5.288 1.00 1.00 H new ATOM 0 HZ PHE A 13 -0.120 20.826 5.834 1.00 1.00 H new ATOM 213 N CYS A 14 4.947 19.000 5.624 1.00 1.00 N ATOM 214 CA CYS A 14 5.421 20.172 6.342 1.00 1.00 C ATOM 215 C CYS A 14 6.942 20.094 6.488 1.00 1.00 C ATOM 216 O CYS A 14 7.601 21.136 6.353 1.00 1.00 O ATOM 217 CB CYS A 14 4.724 20.309 7.697 1.00 1.00 C ATOM 218 SG CYS A 14 3.042 20.992 7.623 1.00 1.00 S ATOM 0 H CYS A 14 4.359 18.378 6.179 1.00 1.00 H new ATOM 0 HA CYS A 14 5.173 21.068 5.773 1.00 1.00 H new ATOM 0 HB2 CYS A 14 4.682 19.327 8.169 1.00 1.00 H new ATOM 0 HB3 CYS A 14 5.332 20.946 8.340 1.00 1.00 H new ATOM 0 HG CYS A 14 3.048 22.210 8.078 1.00 1.00 H new ATOM 224 N PHE A 15 7.461 18.883 6.755 1.00 1.00 N ATOM 225 CA PHE A 15 8.890 18.675 6.917 1.00 1.00 C ATOM 226 C PHE A 15 9.552 18.619 5.539 1.00 1.00 C ATOM 227 O PHE A 15 10.779 18.452 5.480 1.00 1.00 O ATOM 228 CB PHE A 15 9.128 17.365 7.692 1.00 1.00 C ATOM 229 CG PHE A 15 8.286 17.210 8.952 1.00 1.00 C ATOM 230 CD1 PHE A 15 8.233 18.251 9.908 1.00 1.00 C ATOM 231 CD2 PHE A 15 7.558 16.019 9.175 1.00 1.00 C ATOM 232 CE1 PHE A 15 7.456 18.101 11.076 1.00 1.00 C ATOM 233 CE2 PHE A 15 6.780 15.871 10.343 1.00 1.00 C ATOM 234 CZ PHE A 15 6.729 16.912 11.294 1.00 1.00 C ATOM 0 H PHE A 15 6.901 18.037 6.861 1.00 1.00 H new ATOM 0 HA PHE A 15 9.329 19.498 7.481 1.00 1.00 H new ATOM 0 HB2 PHE A 15 8.924 16.524 7.029 1.00 1.00 H new ATOM 0 HB3 PHE A 15 10.181 17.307 7.966 1.00 1.00 H new ATOM 0 HD1 PHE A 15 8.788 19.163 9.744 1.00 1.00 H new ATOM 0 HD2 PHE A 15 7.597 15.220 8.449 1.00 1.00 H new ATOM 0 HE1 PHE A 15 7.418 18.898 11.804 1.00 1.00 H new ATOM 0 HE2 PHE A 15 6.223 14.960 10.509 1.00 1.00 H new ATOM 0 HZ PHE A 15 6.134 16.799 12.188 1.00 1.00 H new ATOM 244 N LEU A 16 8.741 18.758 4.475 1.00 1.00 N ATOM 245 CA LEU A 16 9.244 18.724 3.112 1.00 1.00 C ATOM 246 C LEU A 16 9.890 20.070 2.778 1.00 1.00 C ATOM 247 O LEU A 16 9.319 21.106 3.147 1.00 1.00 O ATOM 248 CB LEU A 16 8.135 18.315 2.141 1.00 1.00 C ATOM 249 CG LEU A 16 8.493 17.218 1.137 1.00 1.00 C ATOM 250 CD1 LEU A 16 8.802 15.901 1.852 1.00 1.00 C ATOM 251 CD2 LEU A 16 7.393 17.056 0.087 1.00 1.00 C ATOM 0 H LEU A 16 7.733 18.895 4.545 1.00 1.00 H new ATOM 0 HA LEU A 16 10.019 17.964 3.011 1.00 1.00 H new ATOM 0 HB2 LEU A 16 7.275 17.981 2.722 1.00 1.00 H new ATOM 0 HB3 LEU A 16 7.821 19.199 1.586 1.00 1.00 H new ATOM 0 HG LEU A 16 9.399 17.519 0.610 1.00 1.00 H new ATOM 0 HD11 LEU A 16 9.053 15.138 1.116 1.00 1.00 H new ATOM 0 HD12 LEU A 16 9.644 16.044 2.529 1.00 1.00 H new ATOM 0 HD13 LEU A 16 7.929 15.582 2.421 1.00 1.00 H new ATOM 0 HD21 LEU A 16 7.673 16.270 -0.614 1.00 1.00 H new ATOM 0 HD22 LEU A 16 6.458 16.788 0.578 1.00 1.00 H new ATOM 0 HD23 LEU A 16 7.264 17.994 -0.452 1.00 1.00 H new ATOM 263 N GLU A 17 11.049 20.029 2.096 1.00 1.00 N ATOM 264 CA GLU A 17 11.762 21.237 1.717 1.00 1.00 C ATOM 265 C GLU A 17 10.802 22.186 0.996 1.00 1.00 C ATOM 266 O GLU A 17 9.824 21.701 0.409 1.00 1.00 O ATOM 267 CB GLU A 17 12.978 20.920 0.844 1.00 1.00 C ATOM 268 CG GLU A 17 14.255 20.860 1.685 1.00 1.00 C ATOM 269 CD GLU A 17 15.418 21.548 0.966 1.00 1.00 C ATOM 270 OE1 GLU A 17 15.426 22.782 0.843 1.00 1.00 O ATOM 271 OE2 GLU A 17 16.336 20.754 0.530 1.00 1.00 O ATOM 0 H GLU A 17 11.503 19.165 1.801 1.00 1.00 H new ATOM 0 HA GLU A 17 12.136 21.721 2.620 1.00 1.00 H new ATOM 0 HB2 GLU A 17 12.827 19.967 0.336 1.00 1.00 H new ATOM 0 HB3 GLU A 17 13.083 21.680 0.070 1.00 1.00 H new ATOM 0 HG2 GLU A 17 14.083 21.340 2.648 1.00 1.00 H new ATOM 0 HG3 GLU A 17 14.512 19.821 1.888 1.00 1.00 H new ATOM 278 N GLU A 18 11.095 23.497 1.054 1.00 1.00 N ATOM 279 CA GLU A 18 10.264 24.501 0.412 1.00 1.00 C ATOM 280 C GLU A 18 10.329 24.316 -1.106 1.00 1.00 C ATOM 281 O GLU A 18 11.444 24.259 -1.646 1.00 1.00 O ATOM 282 CB GLU A 18 10.685 25.917 0.809 1.00 1.00 C ATOM 283 CG GLU A 18 11.762 26.455 -0.135 1.00 1.00 C ATOM 284 CD GLU A 18 12.439 27.694 0.454 1.00 1.00 C ATOM 285 OE1 GLU A 18 12.452 27.868 1.682 1.00 1.00 O ATOM 286 OE2 GLU A 18 12.965 28.492 -0.412 1.00 1.00 O ATOM 0 H GLU A 18 11.906 23.875 1.543 1.00 1.00 H new ATOM 0 HA GLU A 18 9.235 24.369 0.748 1.00 1.00 H new ATOM 0 HB2 GLU A 18 9.818 26.577 0.790 1.00 1.00 H new ATOM 0 HB3 GLU A 18 11.061 25.915 1.832 1.00 1.00 H new ATOM 0 HG2 GLU A 18 12.508 25.682 -0.320 1.00 1.00 H new ATOM 0 HG3 GLU A 18 11.315 26.703 -1.098 1.00 1.00 H new ATOM 293 N ASP A 19 9.153 24.227 -1.753 1.00 1.00 N ATOM 294 CA ASP A 19 9.078 24.050 -3.193 1.00 1.00 C ATOM 295 C ASP A 19 8.263 25.193 -3.801 1.00 1.00 C ATOM 296 O ASP A 19 7.029 25.163 -3.687 1.00 1.00 O ATOM 297 CB ASP A 19 8.386 22.733 -3.551 1.00 1.00 C ATOM 298 CG ASP A 19 8.750 22.163 -4.923 1.00 1.00 C ATOM 299 OD1 ASP A 19 9.934 22.461 -5.341 1.00 1.00 O ATOM 300 OD2 ASP A 19 7.944 21.470 -5.561 1.00 1.00 O ATOM 0 H ASP A 19 8.246 24.276 -1.289 1.00 1.00 H new ATOM 0 HA ASP A 19 10.095 24.041 -3.585 1.00 1.00 H new ATOM 0 HB2 ASP A 19 8.632 21.992 -2.790 1.00 1.00 H new ATOM 0 HB3 ASP A 19 7.307 22.885 -3.512 1.00 1.00 H new ATOM 305 N PRO A 20 8.957 26.162 -4.424 1.00 1.00 N ATOM 306 CA PRO A 20 8.337 27.315 -5.054 1.00 1.00 C ATOM 307 C PRO A 20 7.644 26.920 -6.359 1.00 1.00 C ATOM 308 O PRO A 20 6.585 27.490 -6.661 1.00 1.00 O ATOM 309 CB PRO A 20 9.469 28.308 -5.259 1.00 1.00 C ATOM 310 CG PRO A 20 10.753 27.501 -5.166 1.00 1.00 C ATOM 311 CD PRO A 20 10.410 26.146 -4.570 1.00 1.00 C ATOM 0 HA PRO A 20 7.547 27.753 -4.444 1.00 1.00 H new ATOM 0 HB2 PRO A 20 9.386 28.800 -6.228 1.00 1.00 H new ATOM 0 HB3 PRO A 20 9.444 29.091 -4.501 1.00 1.00 H new ATOM 0 HG2 PRO A 20 11.201 27.382 -6.152 1.00 1.00 H new ATOM 0 HG3 PRO A 20 11.484 28.017 -4.544 1.00 1.00 H new ATOM 0 HD2 PRO A 20 10.734 25.334 -5.221 1.00 1.00 H new ATOM 0 HD3 PRO A 20 10.903 26.000 -3.609 1.00 1.00 H new ATOM 319 N GLY A 21 8.245 25.969 -7.096 1.00 1.00 N ATOM 320 CA GLY A 21 7.689 25.505 -8.356 1.00 1.00 C ATOM 321 C GLY A 21 8.755 25.612 -9.449 1.00 1.00 C ATOM 322 O GLY A 21 9.946 25.639 -9.109 1.00 1.00 O ATOM 0 H GLY A 21 9.118 25.513 -6.830 1.00 1.00 H new ATOM 0 HA2 GLY A 21 7.352 24.473 -8.260 1.00 1.00 H new ATOM 0 HA3 GLY A 21 6.817 26.101 -8.623 1.00 1.00 H new ATOM 326 N ILE A 22 8.312 25.670 -10.717 1.00 1.00 N ATOM 327 CA ILE A 22 9.222 25.773 -11.846 1.00 1.00 C ATOM 328 C ILE A 22 9.276 27.226 -12.321 1.00 1.00 C ATOM 329 O ILE A 22 10.381 27.716 -12.596 1.00 1.00 O ATOM 330 CB ILE A 22 8.829 24.782 -12.943 1.00 1.00 C ATOM 331 CG1 ILE A 22 8.085 23.581 -12.356 1.00 1.00 C ATOM 332 CG2 ILE A 22 10.050 24.356 -13.761 1.00 1.00 C ATOM 333 CD1 ILE A 22 8.160 22.376 -13.297 1.00 1.00 C ATOM 0 H ILE A 22 7.325 25.646 -10.975 1.00 1.00 H new ATOM 0 HA ILE A 22 10.233 25.497 -11.547 1.00 1.00 H new ATOM 0 HB ILE A 22 8.143 25.283 -13.626 1.00 1.00 H new ATOM 0 HG12 ILE A 22 8.515 23.319 -11.389 1.00 1.00 H new ATOM 0 HG13 ILE A 22 7.042 23.845 -12.180 1.00 1.00 H new ATOM 0 HG21 ILE A 22 9.742 23.652 -14.534 1.00 1.00 H new ATOM 0 HG22 ILE A 22 10.499 25.233 -14.227 1.00 1.00 H new ATOM 0 HG23 ILE A 22 10.779 23.880 -13.105 1.00 1.00 H new ATOM 0 HD11 ILE A 22 7.623 21.536 -12.856 1.00 1.00 H new ATOM 0 HD12 ILE A 22 7.707 22.633 -14.255 1.00 1.00 H new ATOM 0 HD13 ILE A 22 9.203 22.099 -13.451 1.00 1.00 H new ATOM 345 N CYS A 23 8.102 27.876 -12.406 1.00 1.00 N ATOM 346 CA CYS A 23 8.017 29.259 -12.843 1.00 1.00 C ATOM 347 C CYS A 23 8.828 30.141 -11.891 1.00 1.00 C ATOM 348 O CYS A 23 9.999 29.820 -11.644 1.00 1.00 O ATOM 349 CB CYS A 23 6.561 29.718 -12.945 1.00 1.00 C ATOM 350 SG CYS A 23 5.483 29.138 -11.602 1.00 1.00 S ATOM 0 H CYS A 23 7.203 27.454 -12.174 1.00 1.00 H new ATOM 0 HA CYS A 23 8.441 29.347 -13.843 1.00 1.00 H new ATOM 0 HB2 CYS A 23 6.539 30.808 -12.965 1.00 1.00 H new ATOM 0 HB3 CYS A 23 6.152 29.374 -13.895 1.00 1.00 H new ATOM 0 HG CYS A 23 4.277 29.587 -11.789 1.00 1.00 H new ATOM 356 N ARG A 24 8.200 31.217 -11.385 1.00 1.00 N ATOM 357 CA ARG A 24 8.858 32.134 -10.470 1.00 1.00 C ATOM 358 C ARG A 24 7.826 33.111 -9.902 1.00 1.00 C ATOM 359 O ARG A 24 8.194 34.262 -9.626 1.00 1.00 O ATOM 360 CB ARG A 24 9.969 32.923 -11.165 1.00 1.00 C ATOM 361 CG ARG A 24 11.349 32.449 -10.705 1.00 1.00 C ATOM 362 CD ARG A 24 11.997 31.546 -11.757 1.00 1.00 C ATOM 363 NE ARG A 24 12.406 30.264 -11.141 1.00 1.00 N ATOM 364 CZ ARG A 24 12.869 29.204 -11.837 1.00 1.00 C ATOM 365 NH1 ARG A 24 12.974 29.297 -13.169 1.00 1.00 N ATOM 366 NH2 ARG A 24 13.219 28.076 -11.204 1.00 1.00 N ATOM 0 H ARG A 24 7.234 31.464 -11.602 1.00 1.00 H new ATOM 0 HA ARG A 24 9.308 31.547 -9.670 1.00 1.00 H new ATOM 0 HB2 ARG A 24 9.882 32.806 -12.245 1.00 1.00 H new ATOM 0 HB3 ARG A 24 9.855 33.985 -10.949 1.00 1.00 H new ATOM 0 HG2 ARG A 24 11.989 33.311 -10.516 1.00 1.00 H new ATOM 0 HG3 ARG A 24 11.256 31.908 -9.763 1.00 1.00 H new ATOM 0 HD2 ARG A 24 11.296 31.361 -12.571 1.00 1.00 H new ATOM 0 HD3 ARG A 24 12.864 32.044 -12.191 1.00 1.00 H new ATOM 0 HE ARG A 24 12.334 30.176 -10.127 1.00 1.00 H new ATOM 0 HH11 ARG A 24 12.706 30.160 -13.643 1.00 1.00 H new ATOM 0 HH12 ARG A 24 13.322 28.505 -13.710 1.00 1.00 H new ATOM 0 HH21 ARG A 24 13.136 28.014 -10.189 1.00 1.00 H new ATOM 0 HH22 ARG A 24 13.568 27.279 -11.737 1.00 1.00 H new ATOM 380 N GLY A 25 6.576 32.641 -9.742 1.00 1.00 N ATOM 381 CA GLY A 25 5.505 33.467 -9.213 1.00 1.00 C ATOM 382 C GLY A 25 6.043 34.312 -8.056 1.00 1.00 C ATOM 383 O GLY A 25 5.814 35.530 -8.060 1.00 1.00 O ATOM 0 H GLY A 25 6.294 31.689 -9.976 1.00 1.00 H new ATOM 0 HA2 GLY A 25 5.107 34.113 -9.996 1.00 1.00 H new ATOM 0 HA3 GLY A 25 4.683 32.840 -8.869 1.00 1.00 H new ATOM 387 N TYR A 26 6.734 33.660 -7.104 1.00 1.00 N ATOM 388 CA TYR A 26 7.267 34.404 -5.977 1.00 1.00 C ATOM 389 C TYR A 26 6.110 34.990 -5.164 1.00 1.00 C ATOM 390 O TYR A 26 5.307 35.732 -5.747 1.00 1.00 O ATOM 391 CB TYR A 26 8.225 35.499 -6.481 1.00 1.00 C ATOM 392 CG TYR A 26 9.528 34.976 -7.070 1.00 1.00 C ATOM 393 CD1 TYR A 26 9.754 33.583 -7.161 1.00 1.00 C ATOM 394 CD2 TYR A 26 10.516 35.875 -7.534 1.00 1.00 C ATOM 395 CE1 TYR A 26 10.958 33.093 -7.708 1.00 1.00 C ATOM 396 CE2 TYR A 26 11.720 35.386 -8.083 1.00 1.00 C ATOM 397 CZ TYR A 26 11.943 33.994 -8.170 1.00 1.00 C ATOM 398 OH TYR A 26 13.108 33.515 -8.698 1.00 1.00 O ATOM 0 H TYR A 26 6.925 32.658 -7.099 1.00 1.00 H new ATOM 0 HA TYR A 26 7.837 33.742 -5.325 1.00 1.00 H new ATOM 0 HB2 TYR A 26 7.712 36.093 -7.237 1.00 1.00 H new ATOM 0 HB3 TYR A 26 8.458 36.169 -5.653 1.00 1.00 H new ATOM 0 HD1 TYR A 26 9.002 32.892 -6.810 1.00 1.00 H new ATOM 0 HD2 TYR A 26 10.348 36.940 -7.468 1.00 1.00 H new ATOM 0 HE1 TYR A 26 11.127 32.028 -7.774 1.00 1.00 H new ATOM 0 HE2 TYR A 26 12.471 36.076 -8.437 1.00 1.00 H new ATOM 0 HH TYR A 26 13.677 34.265 -8.969 1.00 1.00 H new ATOM 408 N ILE A 27 6.041 34.645 -3.866 1.00 1.00 N ATOM 409 CA ILE A 27 4.982 35.129 -2.996 1.00 1.00 C ATOM 410 C ILE A 27 5.382 34.900 -1.537 1.00 1.00 C ATOM 411 O ILE A 27 5.809 33.783 -1.211 1.00 1.00 O ATOM 412 CB ILE A 27 3.645 34.489 -3.375 1.00 1.00 C ATOM 413 CG1 ILE A 27 3.809 33.536 -4.561 1.00 1.00 C ATOM 414 CG2 ILE A 27 2.582 35.557 -3.641 1.00 1.00 C ATOM 415 CD1 ILE A 27 2.588 32.625 -4.704 1.00 1.00 C ATOM 0 H ILE A 27 6.713 34.031 -3.406 1.00 1.00 H new ATOM 0 HA ILE A 27 4.844 36.203 -3.124 1.00 1.00 H new ATOM 0 HB ILE A 27 3.300 33.894 -2.530 1.00 1.00 H new ATOM 0 HG12 ILE A 27 3.948 34.110 -5.477 1.00 1.00 H new ATOM 0 HG13 ILE A 27 4.705 32.931 -4.425 1.00 1.00 H new ATOM 0 HG21 ILE A 27 1.641 35.075 -3.908 1.00 1.00 H new ATOM 0 HG22 ILE A 27 2.439 36.159 -2.744 1.00 1.00 H new ATOM 0 HG23 ILE A 27 2.907 36.198 -4.460 1.00 1.00 H new ATOM 0 HD11 ILE A 27 2.730 31.957 -5.554 1.00 1.00 H new ATOM 0 HD12 ILE A 27 2.466 32.035 -3.796 1.00 1.00 H new ATOM 0 HD13 ILE A 27 1.697 33.233 -4.864 1.00 1.00 H new ATOM 427 N THR A 28 5.238 35.945 -0.703 1.00 1.00 N ATOM 428 CA THR A 28 5.582 35.859 0.706 1.00 1.00 C ATOM 429 C THR A 28 4.810 34.702 1.344 1.00 1.00 C ATOM 430 O THR A 28 3.800 34.965 2.013 1.00 1.00 O ATOM 431 CB THR A 28 5.300 37.212 1.362 1.00 1.00 C ATOM 432 OG1 THR A 28 5.901 38.157 0.480 1.00 1.00 O ATOM 433 CG2 THR A 28 6.060 37.395 2.678 1.00 1.00 C ATOM 0 H THR A 28 4.884 36.857 -0.993 1.00 1.00 H new ATOM 0 HA THR A 28 6.641 35.644 0.848 1.00 1.00 H new ATOM 0 HB THR A 28 4.230 37.311 1.544 1.00 1.00 H new ATOM 0 HG1 THR A 28 5.764 39.063 0.828 1.00 1.00 H new ATOM 0 HG21 THR A 28 5.824 38.371 3.102 1.00 1.00 H new ATOM 0 HG22 THR A 28 5.766 36.614 3.380 1.00 1.00 H new ATOM 0 HG23 THR A 28 7.132 37.330 2.491 1.00 1.00 H new ATOM 441 N ARG A 29 5.293 33.465 1.129 1.00 1.00 N ATOM 442 CA ARG A 29 4.652 32.282 1.680 1.00 1.00 C ATOM 443 C ARG A 29 5.542 31.688 2.773 1.00 1.00 C ATOM 444 O ARG A 29 6.758 31.929 2.740 1.00 1.00 O ATOM 445 CB ARG A 29 4.403 31.224 0.604 1.00 1.00 C ATOM 446 CG ARG A 29 3.500 31.770 -0.504 1.00 1.00 C ATOM 447 CD ARG A 29 2.194 32.318 0.074 1.00 1.00 C ATOM 448 NE ARG A 29 1.339 32.841 -1.015 1.00 1.00 N ATOM 449 CZ ARG A 29 0.566 32.069 -1.808 1.00 1.00 C ATOM 450 NH1 ARG A 29 0.557 30.743 -1.614 1.00 1.00 N ATOM 451 NH2 ARG A 29 -0.182 32.620 -2.774 1.00 1.00 N ATOM 0 H ARG A 29 6.127 33.270 0.575 1.00 1.00 H new ATOM 0 HA ARG A 29 3.688 32.581 2.092 1.00 1.00 H new ATOM 0 HB2 ARG A 29 5.354 30.903 0.178 1.00 1.00 H new ATOM 0 HB3 ARG A 29 3.942 30.345 1.054 1.00 1.00 H new ATOM 0 HG2 ARG A 29 4.021 32.559 -1.047 1.00 1.00 H new ATOM 0 HG3 ARG A 29 3.281 30.980 -1.222 1.00 1.00 H new ATOM 0 HD2 ARG A 29 1.668 31.532 0.615 1.00 1.00 H new ATOM 0 HD3 ARG A 29 2.408 33.110 0.792 1.00 1.00 H new ATOM 0 HE ARG A 29 1.333 33.848 -1.176 1.00 1.00 H new ATOM 0 HH11 ARG A 29 1.129 30.332 -0.876 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -0.021 30.145 -2.204 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -0.170 33.630 -2.915 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -0.763 32.029 -3.369 1.00 1.00 H new ATOM 465 N TYR A 30 4.930 30.936 3.706 1.00 1.00 N ATOM 466 CA TYR A 30 5.719 30.347 4.774 1.00 1.00 C ATOM 467 C TYR A 30 5.730 28.825 4.615 1.00 1.00 C ATOM 468 O TYR A 30 4.786 28.296 4.009 1.00 1.00 O ATOM 469 CB TYR A 30 5.152 30.777 6.139 1.00 1.00 C ATOM 470 CG TYR A 30 5.114 32.282 6.362 1.00 1.00 C ATOM 471 CD1 TYR A 30 4.185 33.086 5.661 1.00 1.00 C ATOM 472 CD2 TYR A 30 6.015 32.886 7.269 1.00 1.00 C ATOM 473 CE1 TYR A 30 4.156 34.481 5.869 1.00 1.00 C ATOM 474 CE2 TYR A 30 5.986 34.281 7.477 1.00 1.00 C ATOM 475 CZ TYR A 30 5.056 35.080 6.778 1.00 1.00 C ATOM 476 OH TYR A 30 5.030 36.431 6.982 1.00 1.00 O ATOM 0 H TYR A 30 3.931 30.734 3.735 1.00 1.00 H new ATOM 0 HA TYR A 30 6.749 30.700 4.720 1.00 1.00 H new ATOM 0 HB2 TYR A 30 4.141 30.382 6.239 1.00 1.00 H new ATOM 0 HB3 TYR A 30 5.751 30.321 6.927 1.00 1.00 H new ATOM 0 HD1 TYR A 30 3.496 32.631 4.965 1.00 1.00 H new ATOM 0 HD2 TYR A 30 6.728 32.277 7.805 1.00 1.00 H new ATOM 0 HE1 TYR A 30 3.445 35.092 5.333 1.00 1.00 H new ATOM 0 HE2 TYR A 30 6.676 34.738 8.171 1.00 1.00 H new ATOM 0 HH TYR A 30 5.316 36.629 7.898 1.00 1.00 H new ATOM 486 N PHE A 31 6.777 28.164 5.140 1.00 1.00 N ATOM 487 CA PHE A 31 6.903 26.720 5.042 1.00 1.00 C ATOM 488 C PHE A 31 7.636 26.192 6.277 1.00 1.00 C ATOM 489 O PHE A 31 8.547 26.879 6.761 1.00 1.00 O ATOM 490 CB PHE A 31 7.674 26.364 3.756 1.00 1.00 C ATOM 491 CG PHE A 31 9.184 26.540 3.850 1.00 1.00 C ATOM 492 CD1 PHE A 31 9.748 27.836 3.826 1.00 1.00 C ATOM 493 CD2 PHE A 31 10.029 25.412 3.970 1.00 1.00 C ATOM 494 CE1 PHE A 31 11.147 28.003 3.918 1.00 1.00 C ATOM 495 CE2 PHE A 31 11.427 25.580 4.062 1.00 1.00 C ATOM 496 CZ PHE A 31 11.986 26.875 4.035 1.00 1.00 C ATOM 0 H PHE A 31 7.544 28.619 5.635 1.00 1.00 H new ATOM 0 HA PHE A 31 5.917 26.258 4.998 1.00 1.00 H new ATOM 0 HB2 PHE A 31 7.458 25.328 3.494 1.00 1.00 H new ATOM 0 HB3 PHE A 31 7.300 26.983 2.941 1.00 1.00 H new ATOM 0 HD1 PHE A 31 9.107 28.701 3.737 1.00 1.00 H new ATOM 0 HD2 PHE A 31 9.603 24.420 3.991 1.00 1.00 H new ATOM 0 HE1 PHE A 31 11.575 28.994 3.899 1.00 1.00 H new ATOM 0 HE2 PHE A 31 12.069 24.717 4.153 1.00 1.00 H new ATOM 0 HZ PHE A 31 13.056 27.003 4.104 1.00 1.00 H new ATOM 506 N TYR A 32 7.230 25.002 6.754 1.00 1.00 N ATOM 507 CA TYR A 32 7.882 24.447 7.928 1.00 1.00 C ATOM 508 C TYR A 32 9.239 23.865 7.526 1.00 1.00 C ATOM 509 O TYR A 32 9.250 22.821 6.858 1.00 1.00 O ATOM 510 CB TYR A 32 6.973 23.386 8.577 1.00 1.00 C ATOM 511 CG TYR A 32 7.368 22.999 9.996 1.00 1.00 C ATOM 512 CD1 TYR A 32 8.364 22.019 10.210 1.00 1.00 C ATOM 513 CD2 TYR A 32 6.748 23.619 11.105 1.00 1.00 C ATOM 514 CE1 TYR A 32 8.735 21.659 11.523 1.00 1.00 C ATOM 515 CE2 TYR A 32 7.120 23.260 12.418 1.00 1.00 C ATOM 516 CZ TYR A 32 8.113 22.279 12.628 1.00 1.00 C ATOM 517 OH TYR A 32 8.475 21.927 13.898 1.00 1.00 O ATOM 0 H TYR A 32 6.483 24.433 6.356 1.00 1.00 H new ATOM 0 HA TYR A 32 8.055 25.229 8.667 1.00 1.00 H new ATOM 0 HB2 TYR A 32 5.949 23.760 8.588 1.00 1.00 H new ATOM 0 HB3 TYR A 32 6.979 22.491 7.955 1.00 1.00 H new ATOM 0 HD1 TYR A 32 8.842 21.544 9.366 1.00 1.00 H new ATOM 0 HD2 TYR A 32 5.988 24.369 10.947 1.00 1.00 H new ATOM 0 HE1 TYR A 32 9.495 20.909 11.683 1.00 1.00 H new ATOM 0 HE2 TYR A 32 6.645 23.736 13.263 1.00 1.00 H new ATOM 0 HH TYR A 32 8.853 22.705 14.358 1.00 1.00 H new ATOM 527 N ASN A 33 10.333 24.540 7.921 1.00 1.00 N ATOM 528 CA ASN A 33 11.675 24.093 7.589 1.00 1.00 C ATOM 529 C ASN A 33 12.254 23.313 8.772 1.00 1.00 C ATOM 530 O ASN A 33 12.182 23.817 9.902 1.00 1.00 O ATOM 531 CB ASN A 33 12.598 25.280 7.308 1.00 1.00 C ATOM 532 CG ASN A 33 13.854 24.833 6.559 1.00 1.00 C ATOM 533 OD1 ASN A 33 14.108 23.655 6.368 1.00 1.00 O ATOM 534 ND2 ASN A 33 14.624 25.836 6.146 1.00 1.00 N ATOM 0 H ASN A 33 10.302 25.398 8.472 1.00 1.00 H new ATOM 0 HA ASN A 33 11.612 23.468 6.698 1.00 1.00 H new ATOM 0 HB2 ASN A 33 12.066 26.027 6.719 1.00 1.00 H new ATOM 0 HB3 ASN A 33 12.880 25.756 8.247 1.00 1.00 H new ATOM 0 HD21 ASN A 33 15.486 25.641 5.636 1.00 1.00 H new ATOM 0 HD22 ASN A 33 14.353 26.800 6.339 1.00 1.00 H new ATOM 541 N ASN A 34 12.809 22.120 8.493 1.00 1.00 N ATOM 542 CA ASN A 34 13.394 21.283 9.526 1.00 1.00 C ATOM 543 C ASN A 34 14.662 21.951 10.061 1.00 1.00 C ATOM 544 O ASN A 34 14.962 21.780 11.252 1.00 1.00 O ATOM 545 CB ASN A 34 13.781 19.911 8.969 1.00 1.00 C ATOM 546 CG ASN A 34 15.053 20.002 8.123 1.00 1.00 C ATOM 547 OD1 ASN A 34 16.178 19.962 8.832 1.00 1.00 O flip ATOM 548 ND2 ASN A 34 15.016 20.101 6.908 1.00 1.00 N flip ATOM 0 H ASN A 34 12.859 21.723 7.555 1.00 1.00 H new ATOM 0 HA ASN A 34 12.654 21.156 10.316 1.00 1.00 H new ATOM 0 HB2 ASN A 34 13.935 19.211 9.790 1.00 1.00 H new ATOM 0 HB3 ASN A 34 12.965 19.517 8.364 1.00 1.00 H new ATOM 0 HD21 ASN A 34 14.118 20.126 6.425 1.00 1.00 H new ATOM 0 HD22 ASN A 34 15.883 20.159 6.374 1.00 1.00 H new ATOM 555 N GLN A 35 15.370 22.687 9.186 1.00 1.00 N ATOM 556 CA GLN A 35 16.593 23.372 9.568 1.00 1.00 C ATOM 557 C GLN A 35 16.339 24.190 10.836 1.00 1.00 C ATOM 558 O GLN A 35 17.287 24.384 11.612 1.00 1.00 O ATOM 559 CB GLN A 35 17.116 24.262 8.438 1.00 1.00 C ATOM 560 CG GLN A 35 18.634 24.134 8.297 1.00 1.00 C ATOM 561 CD GLN A 35 19.355 24.969 9.357 1.00 1.00 C ATOM 562 OE1 GLN A 35 19.905 24.458 10.319 1.00 1.00 O ATOM 563 NE2 GLN A 35 19.322 26.279 9.128 1.00 1.00 N ATOM 0 H GLN A 35 15.106 22.816 8.209 1.00 1.00 H new ATOM 0 HA GLN A 35 17.363 22.627 9.768 1.00 1.00 H new ATOM 0 HB2 GLN A 35 16.635 23.985 7.500 1.00 1.00 H new ATOM 0 HB3 GLN A 35 16.852 25.301 8.637 1.00 1.00 H new ATOM 0 HG2 GLN A 35 18.925 23.088 8.393 1.00 1.00 H new ATOM 0 HG3 GLN A 35 18.939 24.460 7.303 1.00 1.00 H new ATOM 0 HE21 GLN A 35 18.844 26.641 8.303 1.00 1.00 H new ATOM 0 HE22 GLN A 35 19.775 26.922 9.778 1.00 1.00 H new ATOM 572 N THR A 36 15.087 24.644 11.019 1.00 1.00 N ATOM 573 CA THR A 36 14.716 25.432 12.182 1.00 1.00 C ATOM 574 C THR A 36 13.466 24.827 12.825 1.00 1.00 C ATOM 575 O THR A 36 12.815 25.522 13.619 1.00 1.00 O ATOM 576 CB THR A 36 14.531 26.888 11.748 1.00 1.00 C ATOM 577 OG1 THR A 36 13.676 26.805 10.611 1.00 1.00 O ATOM 578 CG2 THR A 36 15.821 27.503 11.200 1.00 1.00 C ATOM 0 H THR A 36 14.321 24.472 10.368 1.00 1.00 H new ATOM 0 HA THR A 36 15.497 25.416 12.942 1.00 1.00 H new ATOM 0 HB THR A 36 14.178 27.478 12.594 1.00 1.00 H new ATOM 0 HG1 THR A 36 14.217 26.814 9.794 1.00 1.00 H new ATOM 0 HG21 THR A 36 15.635 28.536 10.906 1.00 1.00 H new ATOM 0 HG22 THR A 36 16.592 27.477 11.970 1.00 1.00 H new ATOM 0 HG23 THR A 36 16.156 26.934 10.333 1.00 1.00 H new ATOM 586 N LYS A 37 13.160 23.564 12.476 1.00 1.00 N ATOM 587 CA LYS A 37 12.000 22.876 13.015 1.00 1.00 C ATOM 588 C LYS A 37 10.891 23.893 13.289 1.00 1.00 C ATOM 589 O LYS A 37 10.219 23.769 14.324 1.00 1.00 O ATOM 590 CB LYS A 37 12.391 22.047 14.240 1.00 1.00 C ATOM 591 CG LYS A 37 13.051 20.731 13.824 1.00 1.00 C ATOM 592 CD LYS A 37 14.446 20.598 14.440 1.00 1.00 C ATOM 593 CE LYS A 37 15.253 21.884 14.250 1.00 1.00 C ATOM 594 NZ LYS A 37 16.685 21.577 14.109 1.00 1.00 N ATOM 0 H LYS A 37 13.709 23.008 11.820 1.00 1.00 H new ATOM 0 HA LYS A 37 11.607 22.164 12.289 1.00 1.00 H new ATOM 0 HB2 LYS A 37 13.075 22.619 14.867 1.00 1.00 H new ATOM 0 HB3 LYS A 37 11.506 21.840 14.841 1.00 1.00 H new ATOM 0 HG2 LYS A 37 12.429 19.893 14.139 1.00 1.00 H new ATOM 0 HG3 LYS A 37 13.123 20.684 12.737 1.00 1.00 H new ATOM 0 HD2 LYS A 37 14.358 20.373 15.503 1.00 1.00 H new ATOM 0 HD3 LYS A 37 14.973 19.762 13.980 1.00 1.00 H new ATOM 0 HE2 LYS A 37 14.900 22.415 13.366 1.00 1.00 H new ATOM 0 HE3 LYS A 37 15.099 22.546 15.102 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 17.218 22.461 13.981 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 17.022 21.090 14.964 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 16.829 20.963 13.282 1.00 1.00 H new ATOM 608 N GLN A 38 10.722 24.862 12.372 1.00 1.00 N ATOM 609 CA GLN A 38 9.704 25.889 12.514 1.00 1.00 C ATOM 610 C GLN A 38 9.237 26.334 11.127 1.00 1.00 C ATOM 611 O GLN A 38 9.520 25.622 10.153 1.00 1.00 O ATOM 612 CB GLN A 38 10.216 27.079 13.329 1.00 1.00 C ATOM 613 CG GLN A 38 11.082 28.001 12.468 1.00 1.00 C ATOM 614 CD GLN A 38 11.933 28.925 13.340 1.00 1.00 C ATOM 615 OE1 GLN A 38 11.882 30.140 13.238 1.00 1.00 O ATOM 616 NE2 GLN A 38 12.718 28.285 14.202 1.00 1.00 N ATOM 0 H GLN A 38 11.285 24.945 11.526 1.00 1.00 H new ATOM 0 HA GLN A 38 8.859 25.470 13.060 1.00 1.00 H new ATOM 0 HB2 GLN A 38 9.372 27.639 13.732 1.00 1.00 H new ATOM 0 HB3 GLN A 38 10.795 26.720 14.180 1.00 1.00 H new ATOM 0 HG2 GLN A 38 11.729 27.403 11.826 1.00 1.00 H new ATOM 0 HG3 GLN A 38 10.446 28.597 11.813 1.00 1.00 H new ATOM 0 HE21 GLN A 38 12.713 27.266 14.237 1.00 1.00 H new ATOM 0 HE22 GLN A 38 13.325 28.814 14.829 1.00 1.00 H new ATOM 625 N CYS A 39 8.542 27.484 11.066 1.00 1.00 N ATOM 626 CA CYS A 39 8.043 28.016 9.809 1.00 1.00 C ATOM 627 C CYS A 39 8.966 29.140 9.333 1.00 1.00 C ATOM 628 O CYS A 39 9.120 30.127 10.066 1.00 1.00 O ATOM 629 CB CYS A 39 6.594 28.487 9.946 1.00 1.00 C ATOM 630 SG CYS A 39 5.362 27.154 10.018 1.00 1.00 S ATOM 0 H CYS A 39 8.319 28.055 11.881 1.00 1.00 H new ATOM 0 HA CYS A 39 8.044 27.226 9.058 1.00 1.00 H new ATOM 0 HB2 CYS A 39 6.507 29.092 10.849 1.00 1.00 H new ATOM 0 HB3 CYS A 39 6.357 29.136 9.103 1.00 1.00 H new ATOM 636 N GLU A 40 9.552 28.970 8.134 1.00 1.00 N ATOM 637 CA GLU A 40 10.450 29.963 7.569 1.00 1.00 C ATOM 638 C GLU A 40 9.797 30.594 6.338 1.00 1.00 C ATOM 639 O GLU A 40 9.134 29.866 5.584 1.00 1.00 O ATOM 640 CB GLU A 40 11.810 29.355 7.217 1.00 1.00 C ATOM 641 CG GLU A 40 12.305 28.435 8.335 1.00 1.00 C ATOM 642 CD GLU A 40 12.946 29.243 9.466 1.00 1.00 C ATOM 643 OE1 GLU A 40 13.866 30.067 9.094 1.00 1.00 O ATOM 644 OE2 GLU A 40 12.571 29.076 10.636 1.00 1.00 O ATOM 0 H GLU A 40 9.412 28.149 7.546 1.00 1.00 H new ATOM 0 HA GLU A 40 10.631 30.736 8.316 1.00 1.00 H new ATOM 0 HB2 GLU A 40 11.731 28.793 6.287 1.00 1.00 H new ATOM 0 HB3 GLU A 40 12.535 30.151 7.048 1.00 1.00 H new ATOM 0 HG2 GLU A 40 11.472 27.852 8.727 1.00 1.00 H new ATOM 0 HG3 GLU A 40 13.029 27.726 7.934 1.00 1.00 H new ATOM 651 N ARG A 41 9.991 31.913 6.162 1.00 1.00 N ATOM 652 CA ARG A 41 9.424 32.631 5.033 1.00 1.00 C ATOM 653 C ARG A 41 10.183 32.251 3.760 1.00 1.00 C ATOM 654 O ARG A 41 11.392 31.992 3.849 1.00 1.00 O ATOM 655 CB ARG A 41 9.502 34.146 5.233 1.00 1.00 C ATOM 656 CG ARG A 41 8.109 34.746 5.428 1.00 1.00 C ATOM 657 CD ARG A 41 8.133 35.858 6.479 1.00 1.00 C ATOM 658 NE ARG A 41 9.152 36.870 6.121 1.00 1.00 N ATOM 659 CZ ARG A 41 10.391 36.917 6.655 1.00 1.00 C ATOM 660 NH1 ARG A 41 10.741 36.001 7.568 1.00 1.00 N ATOM 661 NH2 ARG A 41 11.258 37.867 6.278 1.00 1.00 N ATOM 0 H ARG A 41 10.539 32.495 6.795 1.00 1.00 H new ATOM 0 HA ARG A 41 8.373 32.353 4.948 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.123 34.370 6.100 1.00 1.00 H new ATOM 0 HB3 ARG A 41 9.982 34.606 4.369 1.00 1.00 H new ATOM 0 HG2 ARG A 41 7.745 35.144 4.481 1.00 1.00 H new ATOM 0 HG3 ARG A 41 7.413 33.966 5.735 1.00 1.00 H new ATOM 0 HD2 ARG A 41 7.151 36.327 6.547 1.00 1.00 H new ATOM 0 HD3 ARG A 41 8.355 35.438 7.460 1.00 1.00 H new ATOM 0 HE ARG A 41 8.903 37.576 5.428 1.00 1.00 H new ATOM 0 HH11 ARG A 41 10.075 35.282 7.850 1.00 1.00 H new ATOM 0 HH12 ARG A 41 11.673 36.023 7.981 1.00 1.00 H new ATOM 0 HH21 ARG A 41 10.983 38.561 5.583 1.00 1.00 H new ATOM 0 HH22 ARG A 41 12.192 37.896 6.686 1.00 1.00 H new ATOM 675 N PHE A 42 9.471 32.227 2.619 1.00 1.00 N ATOM 676 CA PHE A 42 10.073 31.883 1.343 1.00 1.00 C ATOM 677 C PHE A 42 9.102 32.236 0.214 1.00 1.00 C ATOM 678 O PHE A 42 7.904 32.388 0.493 1.00 1.00 O ATOM 679 CB PHE A 42 10.405 30.378 1.328 1.00 1.00 C ATOM 680 CG PHE A 42 9.272 29.482 0.844 1.00 1.00 C ATOM 681 CD1 PHE A 42 8.097 29.345 1.619 1.00 1.00 C ATOM 682 CD2 PHE A 42 9.384 28.789 -0.384 1.00 1.00 C ATOM 683 CE1 PHE A 42 7.044 28.519 1.171 1.00 1.00 C ATOM 684 CE2 PHE A 42 8.330 27.964 -0.831 1.00 1.00 C ATOM 685 CZ PHE A 42 7.160 27.828 -0.053 1.00 1.00 C ATOM 0 H PHE A 42 8.476 32.444 2.567 1.00 1.00 H new ATOM 0 HA PHE A 42 10.995 32.446 1.198 1.00 1.00 H new ATOM 0 HB2 PHE A 42 11.275 30.218 0.691 1.00 1.00 H new ATOM 0 HB3 PHE A 42 10.687 30.072 2.335 1.00 1.00 H new ATOM 0 HD1 PHE A 42 8.005 29.874 2.556 1.00 1.00 H new ATOM 0 HD2 PHE A 42 10.278 28.892 -0.981 1.00 1.00 H new ATOM 0 HE1 PHE A 42 6.149 28.416 1.766 1.00 1.00 H new ATOM 0 HE2 PHE A 42 8.419 27.436 -1.769 1.00 1.00 H new ATOM 0 HZ PHE A 42 6.354 27.195 -0.395 1.00 1.00 H new ATOM 695 N LYS A 43 9.629 32.356 -1.018 1.00 1.00 N ATOM 696 CA LYS A 43 8.815 32.688 -2.174 1.00 1.00 C ATOM 697 C LYS A 43 8.009 31.458 -2.595 1.00 1.00 C ATOM 698 O LYS A 43 8.124 30.420 -1.927 1.00 1.00 O ATOM 699 CB LYS A 43 9.685 33.266 -3.293 1.00 1.00 C ATOM 700 CG LYS A 43 9.474 34.775 -3.428 1.00 1.00 C ATOM 701 CD LYS A 43 10.387 35.544 -2.469 1.00 1.00 C ATOM 702 CE LYS A 43 11.843 35.488 -2.935 1.00 1.00 C ATOM 703 NZ LYS A 43 12.669 36.425 -2.157 1.00 1.00 N ATOM 0 H LYS A 43 10.619 32.225 -1.226 1.00 1.00 H new ATOM 0 HA LYS A 43 8.097 33.469 -1.923 1.00 1.00 H new ATOM 0 HB2 LYS A 43 10.735 33.059 -3.086 1.00 1.00 H new ATOM 0 HB3 LYS A 43 9.444 32.776 -4.236 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.675 35.084 -4.454 1.00 1.00 H new ATOM 0 HG3 LYS A 43 8.433 35.020 -3.220 1.00 1.00 H new ATOM 0 HD2 LYS A 43 10.061 36.582 -2.405 1.00 1.00 H new ATOM 0 HD3 LYS A 43 10.306 35.122 -1.467 1.00 1.00 H new ATOM 0 HE2 LYS A 43 12.228 34.475 -2.823 1.00 1.00 H new ATOM 0 HE3 LYS A 43 11.902 35.736 -3.995 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 13.654 36.375 -2.486 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 12.310 37.393 -2.285 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 12.627 36.171 -1.149 1.00 1.00 H new ATOM 717 N TYR A 44 7.221 31.595 -3.677 1.00 1.00 N ATOM 718 CA TYR A 44 6.426 30.465 -4.126 1.00 1.00 C ATOM 719 C TYR A 44 6.100 30.634 -5.611 1.00 1.00 C ATOM 720 O TYR A 44 5.185 31.412 -5.921 1.00 1.00 O ATOM 721 CB TYR A 44 5.152 30.350 -3.268 1.00 1.00 C ATOM 722 CG TYR A 44 4.147 29.321 -3.765 1.00 1.00 C ATOM 723 CD1 TYR A 44 4.584 28.225 -4.545 1.00 1.00 C ATOM 724 CD2 TYR A 44 2.775 29.448 -3.448 1.00 1.00 C ATOM 725 CE1 TYR A 44 3.657 27.267 -5.005 1.00 1.00 C ATOM 726 CE2 TYR A 44 1.848 28.490 -3.908 1.00 1.00 C ATOM 727 CZ TYR A 44 2.288 27.398 -4.688 1.00 1.00 C ATOM 728 OH TYR A 44 1.393 26.468 -5.137 1.00 1.00 O ATOM 0 H TYR A 44 7.126 32.447 -4.230 1.00 1.00 H new ATOM 0 HA TYR A 44 6.987 29.538 -4.007 1.00 1.00 H new ATOM 0 HB2 TYR A 44 5.438 30.096 -2.247 1.00 1.00 H new ATOM 0 HB3 TYR A 44 4.666 31.325 -3.230 1.00 1.00 H new ATOM 0 HD1 TYR A 44 5.631 28.121 -4.789 1.00 1.00 H new ATOM 0 HD2 TYR A 44 2.436 30.282 -2.851 1.00 1.00 H new ATOM 0 HE1 TYR A 44 3.995 26.432 -5.601 1.00 1.00 H new ATOM 0 HE2 TYR A 44 0.801 28.591 -3.664 1.00 1.00 H new ATOM 0 HH TYR A 44 0.493 26.705 -4.830 1.00 1.00 H new ATOM 789 N ASN A 50 5.152 22.417 -3.869 1.00 1.00 N ATOM 790 CA ASN A 50 4.814 21.330 -2.964 1.00 1.00 C ATOM 791 C ASN A 50 3.617 21.742 -2.105 1.00 1.00 C ATOM 792 O ASN A 50 2.974 22.749 -2.433 1.00 1.00 O ATOM 793 CB ASN A 50 5.981 21.010 -2.028 1.00 1.00 C ATOM 794 CG ASN A 50 6.253 22.174 -1.073 1.00 1.00 C ATOM 795 OD1 ASN A 50 5.447 23.074 -0.904 1.00 1.00 O ATOM 796 ND2 ASN A 50 7.431 22.106 -0.459 1.00 1.00 N ATOM 0 HA ASN A 50 4.582 20.450 -3.564 1.00 1.00 H new ATOM 0 HB2 ASN A 50 5.756 20.110 -1.455 1.00 1.00 H new ATOM 0 HB3 ASN A 50 6.875 20.800 -2.615 1.00 1.00 H new ATOM 0 HD21 ASN A 50 7.706 22.835 0.199 1.00 1.00 H new ATOM 0 HD22 ASN A 50 8.059 21.324 -0.646 1.00 1.00 H new ATOM 803 N MET A 51 3.348 20.968 -1.038 1.00 1.00 N ATOM 804 CA MET A 51 2.239 21.250 -0.143 1.00 1.00 C ATOM 805 C MET A 51 2.721 22.162 0.987 1.00 1.00 C ATOM 806 O MET A 51 1.882 22.847 1.591 1.00 1.00 O ATOM 807 CB MET A 51 1.690 19.951 0.450 1.00 1.00 C ATOM 808 CG MET A 51 1.640 18.845 -0.606 1.00 1.00 C ATOM 809 SD MET A 51 3.118 17.796 -0.479 1.00 1.00 S ATOM 810 CE MET A 51 3.657 17.799 -2.215 1.00 1.00 C ATOM 0 H MET A 51 3.892 20.143 -0.784 1.00 1.00 H new ATOM 0 HA MET A 51 1.446 21.743 -0.705 1.00 1.00 H new ATOM 0 HB2 MET A 51 2.316 19.634 1.284 1.00 1.00 H new ATOM 0 HB3 MET A 51 0.690 20.123 0.849 1.00 1.00 H new ATOM 0 HG2 MET A 51 0.743 18.241 -0.470 1.00 1.00 H new ATOM 0 HG3 MET A 51 1.580 19.284 -1.602 1.00 1.00 H new ATOM 0 HE1 MET A 51 4.741 17.694 -2.260 1.00 1.00 H new ATOM 0 HE2 MET A 51 3.190 16.967 -2.743 1.00 1.00 H new ATOM 0 HE3 MET A 51 3.364 18.738 -2.685 1.00 1.00 H new ATOM 820 N ASN A 52 4.041 22.154 1.246 1.00 1.00 N ATOM 821 CA ASN A 52 4.625 22.975 2.293 1.00 1.00 C ATOM 822 C ASN A 52 4.730 24.421 1.803 1.00 1.00 C ATOM 823 O ASN A 52 5.848 24.956 1.781 1.00 1.00 O ATOM 824 CB ASN A 52 6.033 22.493 2.649 1.00 1.00 C ATOM 825 CG ASN A 52 6.406 22.899 4.076 1.00 1.00 C ATOM 826 OD1 ASN A 52 5.566 23.040 4.949 1.00 1.00 O ATOM 827 ND2 ASN A 52 7.711 23.078 4.264 1.00 1.00 N ATOM 0 H ASN A 52 4.715 21.583 0.737 1.00 1.00 H new ATOM 0 HA ASN A 52 3.986 22.904 3.173 1.00 1.00 H new ATOM 0 HB2 ASN A 52 6.086 21.409 2.550 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.754 22.913 1.947 1.00 1.00 H new ATOM 0 HD21 ASN A 52 8.061 23.350 5.183 1.00 1.00 H new ATOM 0 HD22 ASN A 52 8.361 22.943 3.490 1.00 1.00 H new ATOM 834 N ASN A 53 3.583 25.013 1.425 1.00 1.00 N ATOM 835 CA ASN A 53 3.547 26.383 0.941 1.00 1.00 C ATOM 836 C ASN A 53 2.370 27.117 1.586 1.00 1.00 C ATOM 837 O ASN A 53 1.270 27.082 1.017 1.00 1.00 O ATOM 838 CB ASN A 53 3.357 26.426 -0.577 1.00 1.00 C ATOM 839 CG ASN A 53 2.734 27.753 -1.014 1.00 1.00 C ATOM 840 OD1 ASN A 53 3.369 28.795 -1.018 1.00 1.00 O ATOM 841 ND2 ASN A 53 1.459 27.658 -1.380 1.00 1.00 N ATOM 0 H ASN A 53 2.673 24.553 1.450 1.00 1.00 H new ATOM 0 HA ASN A 53 4.494 26.857 1.200 1.00 1.00 H new ATOM 0 HB2 ASN A 53 4.319 26.292 -1.071 1.00 1.00 H new ATOM 0 HB3 ASN A 53 2.719 25.600 -0.891 1.00 1.00 H new ATOM 0 HD21 ASN A 53 0.954 28.489 -1.688 1.00 1.00 H new ATOM 0 HD22 ASN A 53 0.987 26.754 -1.353 1.00 1.00 H new ATOM 848 N PHE A 54 2.620 27.756 2.743 1.00 1.00 N ATOM 849 CA PHE A 54 1.589 28.490 3.455 1.00 1.00 C ATOM 850 C PHE A 54 1.690 29.976 3.104 1.00 1.00 C ATOM 851 O PHE A 54 2.728 30.384 2.563 1.00 1.00 O ATOM 852 CB PHE A 54 1.767 28.273 4.971 1.00 1.00 C ATOM 853 CG PHE A 54 1.743 26.816 5.411 1.00 1.00 C ATOM 854 CD1 PHE A 54 0.510 26.174 5.670 1.00 1.00 C ATOM 855 CD2 PHE A 54 2.950 26.093 5.557 1.00 1.00 C ATOM 856 CE1 PHE A 54 0.484 24.822 6.074 1.00 1.00 C ATOM 857 CE2 PHE A 54 2.924 24.741 5.961 1.00 1.00 C ATOM 858 CZ PHE A 54 1.691 24.106 6.220 1.00 1.00 C ATOM 0 H PHE A 54 3.534 27.772 3.196 1.00 1.00 H new ATOM 0 HA PHE A 54 0.602 28.130 3.163 1.00 1.00 H new ATOM 0 HB2 PHE A 54 2.714 28.716 5.279 1.00 1.00 H new ATOM 0 HB3 PHE A 54 0.978 28.810 5.497 1.00 1.00 H new ATOM 0 HD1 PHE A 54 -0.415 26.720 5.558 1.00 1.00 H new ATOM 0 HD2 PHE A 54 3.895 26.577 5.359 1.00 1.00 H new ATOM 0 HE1 PHE A 54 -0.460 24.335 6.271 1.00 1.00 H new ATOM 0 HE2 PHE A 54 3.848 24.193 6.072 1.00 1.00 H new ATOM 0 HZ PHE A 54 1.671 23.072 6.530 1.00 1.00 H new ATOM 868 N GLU A 55 0.628 30.741 3.412 1.00 1.00 N ATOM 869 CA GLU A 55 0.599 32.167 3.131 1.00 1.00 C ATOM 870 C GLU A 55 0.988 32.939 4.393 1.00 1.00 C ATOM 871 O GLU A 55 1.696 33.950 4.271 1.00 1.00 O ATOM 872 CB GLU A 55 -0.772 32.610 2.617 1.00 1.00 C ATOM 873 CG GLU A 55 -1.159 31.840 1.353 1.00 1.00 C ATOM 874 CD GLU A 55 -2.314 32.529 0.623 1.00 1.00 C ATOM 875 OE1 GLU A 55 -2.133 33.623 0.069 1.00 1.00 O ATOM 876 OE2 GLU A 55 -3.433 31.886 0.644 1.00 1.00 O ATOM 0 H GLU A 55 -0.218 30.384 3.856 1.00 1.00 H new ATOM 0 HA GLU A 55 1.319 32.383 2.341 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -1.524 32.449 3.390 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -0.757 33.679 2.405 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -0.297 31.766 0.690 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -1.446 30.822 1.617 1.00 1.00 H new ATOM 883 N THR A 56 0.525 32.458 5.560 1.00 1.00 N ATOM 884 CA THR A 56 0.823 33.099 6.830 1.00 1.00 C ATOM 885 C THR A 56 1.658 32.150 7.692 1.00 1.00 C ATOM 886 O THR A 56 1.495 30.929 7.553 1.00 1.00 O ATOM 887 CB THR A 56 -0.494 33.518 7.487 1.00 1.00 C ATOM 888 OG1 THR A 56 -1.443 32.579 6.989 1.00 1.00 O ATOM 889 CG2 THR A 56 -1.001 34.867 6.974 1.00 1.00 C ATOM 0 H THR A 56 -0.058 31.625 5.638 1.00 1.00 H new ATOM 0 HA THR A 56 1.419 34.001 6.694 1.00 1.00 H new ATOM 0 HB THR A 56 -0.361 33.567 8.568 1.00 1.00 H new ATOM 0 HG1 THR A 56 -2.347 32.866 7.234 1.00 1.00 H new ATOM 0 HG21 THR A 56 -1.938 35.117 7.472 1.00 1.00 H new ATOM 0 HG22 THR A 56 -0.260 35.638 7.185 1.00 1.00 H new ATOM 0 HG23 THR A 56 -1.167 34.808 5.898 1.00 1.00 H new ATOM 897 N LEU A 57 2.521 32.720 8.552 1.00 1.00 N ATOM 898 CA LEU A 57 3.371 31.931 9.427 1.00 1.00 C ATOM 899 C LEU A 57 2.495 31.094 10.362 1.00 1.00 C ATOM 900 O LEU A 57 2.716 29.877 10.446 1.00 1.00 O ATOM 901 CB LEU A 57 4.368 32.830 10.160 1.00 1.00 C ATOM 902 CG LEU A 57 5.430 32.112 10.996 1.00 1.00 C ATOM 903 CD1 LEU A 57 6.643 31.743 10.141 1.00 1.00 C ATOM 904 CD2 LEU A 57 5.821 32.946 12.217 1.00 1.00 C ATOM 0 H LEU A 57 2.640 33.728 8.651 1.00 1.00 H new ATOM 0 HA LEU A 57 3.974 31.234 8.845 1.00 1.00 H new ATOM 0 HB2 LEU A 57 4.874 33.454 9.423 1.00 1.00 H new ATOM 0 HB3 LEU A 57 3.810 33.499 10.815 1.00 1.00 H new ATOM 0 HG LEU A 57 5.002 31.180 11.366 1.00 1.00 H new ATOM 0 HD11 LEU A 57 7.383 31.234 10.759 1.00 1.00 H new ATOM 0 HD12 LEU A 57 6.331 31.083 9.332 1.00 1.00 H new ATOM 0 HD13 LEU A 57 7.082 32.649 9.722 1.00 1.00 H new ATOM 0 HD21 LEU A 57 6.577 32.414 12.794 1.00 1.00 H new ATOM 0 HD22 LEU A 57 6.223 33.905 11.889 1.00 1.00 H new ATOM 0 HD23 LEU A 57 4.942 33.115 12.839 1.00 1.00 H new ATOM 916 N GLU A 58 1.534 31.751 11.036 1.00 1.00 N ATOM 917 CA GLU A 58 0.636 31.072 11.955 1.00 1.00 C ATOM 918 C GLU A 58 -0.006 29.878 11.245 1.00 1.00 C ATOM 919 O GLU A 58 0.010 28.777 11.813 1.00 1.00 O ATOM 920 CB GLU A 58 -0.430 32.022 12.503 1.00 1.00 C ATOM 921 CG GLU A 58 -0.723 31.727 13.976 1.00 1.00 C ATOM 922 CD GLU A 58 -1.769 32.695 14.532 1.00 1.00 C ATOM 923 OE1 GLU A 58 -1.477 33.887 14.712 1.00 1.00 O ATOM 924 OE2 GLU A 58 -2.921 32.171 14.778 1.00 1.00 O ATOM 0 H GLU A 58 1.368 32.754 10.953 1.00 1.00 H new ATOM 0 HA GLU A 58 1.213 30.716 12.809 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.093 33.053 12.395 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -1.345 31.923 11.920 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -1.079 30.702 14.081 1.00 1.00 H new ATOM 0 HG3 GLU A 58 0.196 31.807 14.556 1.00 1.00 H new ATOM 931 N GLU A 59 -0.549 30.116 10.038 1.00 1.00 N ATOM 932 CA GLU A 59 -1.189 29.068 9.261 1.00 1.00 C ATOM 933 C GLU A 59 -0.223 27.891 9.108 1.00 1.00 C ATOM 934 O GLU A 59 -0.655 26.745 9.303 1.00 1.00 O ATOM 935 CB GLU A 59 -1.649 29.582 7.896 1.00 1.00 C ATOM 936 CG GLU A 59 -2.955 28.908 7.468 1.00 1.00 C ATOM 937 CD GLU A 59 -3.842 29.879 6.687 1.00 1.00 C ATOM 938 OE1 GLU A 59 -3.974 31.047 7.219 1.00 1.00 O ATOM 939 OE2 GLU A 59 -4.372 29.518 5.625 1.00 1.00 O ATOM 0 H GLU A 59 -0.551 31.031 9.588 1.00 1.00 H new ATOM 0 HA GLU A 59 -2.081 28.734 9.791 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -1.790 30.662 7.939 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -0.876 29.391 7.152 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -2.734 28.036 6.852 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -3.489 28.549 8.348 1.00 1.00 H new ATOM 946 N CYS A 60 1.043 28.192 8.767 1.00 1.00 N ATOM 947 CA CYS A 60 2.056 27.166 8.590 1.00 1.00 C ATOM 948 C CYS A 60 2.313 26.472 9.929 1.00 1.00 C ATOM 949 O CYS A 60 2.711 25.298 9.918 1.00 1.00 O ATOM 950 CB CYS A 60 3.338 27.753 7.996 1.00 1.00 C ATOM 951 SG CYS A 60 4.798 26.678 8.119 1.00 1.00 S ATOM 0 H CYS A 60 1.378 29.143 8.611 1.00 1.00 H new ATOM 0 HA CYS A 60 1.696 26.423 7.879 1.00 1.00 H new ATOM 0 HB2 CYS A 60 3.162 27.984 6.945 1.00 1.00 H new ATOM 0 HB3 CYS A 60 3.555 28.696 8.498 1.00 1.00 H new ATOM 957 N LYS A 61 2.084 27.199 11.037 1.00 1.00 N ATOM 958 CA LYS A 61 2.290 26.657 12.370 1.00 1.00 C ATOM 959 C LYS A 61 1.104 25.764 12.741 1.00 1.00 C ATOM 960 O LYS A 61 1.334 24.611 13.133 1.00 1.00 O ATOM 961 CB LYS A 61 2.549 27.784 13.372 1.00 1.00 C ATOM 962 CG LYS A 61 3.621 28.743 12.853 1.00 1.00 C ATOM 963 CD LYS A 61 4.669 29.029 13.931 1.00 1.00 C ATOM 964 CE LYS A 61 6.075 28.689 13.432 1.00 1.00 C ATOM 965 NZ LYS A 61 6.843 29.919 13.176 1.00 1.00 N ATOM 0 H LYS A 61 1.756 28.165 11.024 1.00 1.00 H new ATOM 0 HA LYS A 61 3.181 26.030 12.393 1.00 1.00 H new ATOM 0 HB2 LYS A 61 1.625 28.331 13.556 1.00 1.00 H new ATOM 0 HB3 LYS A 61 2.865 27.362 14.326 1.00 1.00 H new ATOM 0 HG2 LYS A 61 4.104 28.313 11.976 1.00 1.00 H new ATOM 0 HG3 LYS A 61 3.156 29.677 12.536 1.00 1.00 H new ATOM 0 HD2 LYS A 61 4.625 30.080 14.217 1.00 1.00 H new ATOM 0 HD3 LYS A 61 4.445 28.446 14.825 1.00 1.00 H new ATOM 0 HE2 LYS A 61 6.592 28.078 14.172 1.00 1.00 H new ATOM 0 HE3 LYS A 61 6.010 28.097 12.519 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 7.857 29.693 13.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 6.545 30.332 12.269 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 6.669 30.602 13.941 1.00 1.00 H new ATOM 979 N ASN A 62 -0.120 26.305 12.612 1.00 1.00 N ATOM 980 CA ASN A 62 -1.328 25.563 12.932 1.00 1.00 C ATOM 981 C ASN A 62 -1.302 24.218 12.203 1.00 1.00 C ATOM 982 O ASN A 62 -1.527 23.188 12.857 1.00 1.00 O ATOM 983 CB ASN A 62 -2.577 26.322 12.480 1.00 1.00 C ATOM 984 CG ASN A 62 -3.744 26.076 13.439 1.00 1.00 C ATOM 985 OD1 ASN A 62 -4.047 26.879 14.307 1.00 1.00 O ATOM 986 ND2 ASN A 62 -4.380 24.926 13.234 1.00 1.00 N ATOM 0 H ASN A 62 -0.287 27.257 12.287 1.00 1.00 H new ATOM 0 HA ASN A 62 -1.363 25.424 14.013 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -2.361 27.389 12.431 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -2.855 26.006 11.474 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -5.174 24.670 13.821 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -4.074 24.300 12.489 1.00 1.00 H new ATOM 993 N ILE A 63 -1.034 24.252 10.886 1.00 1.00 N ATOM 994 CA ILE A 63 -0.980 23.044 10.079 1.00 1.00 C ATOM 995 C ILE A 63 0.205 22.188 10.529 1.00 1.00 C ATOM 996 O ILE A 63 -0.001 21.000 10.817 1.00 1.00 O ATOM 997 CB ILE A 63 -0.956 23.395 8.590 1.00 1.00 C ATOM 998 CG1 ILE A 63 -2.256 24.082 8.167 1.00 1.00 C ATOM 999 CG2 ILE A 63 -0.659 22.158 7.740 1.00 1.00 C ATOM 1000 CD1 ILE A 63 -3.401 23.720 9.116 1.00 1.00 C ATOM 0 H ILE A 63 -0.852 25.111 10.367 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.879 22.446 10.227 1.00 1.00 H new ATOM 0 HB ILE A 63 -0.147 24.105 8.420 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.114 25.163 8.158 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.514 23.786 7.150 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -0.648 22.435 6.686 1.00 1.00 H new ATOM 0 HG22 ILE A 63 0.313 21.750 8.018 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -1.430 21.406 7.909 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.313 24.221 8.793 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -3.556 22.641 9.104 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -3.150 24.039 10.127 1.00 1.00 H new ATOM 1012 N CYS A 64 1.403 22.797 10.579 1.00 1.00 N ATOM 1013 CA CYS A 64 2.607 22.095 10.990 1.00 1.00 C ATOM 1014 C CYS A 64 2.707 22.114 12.517 1.00 1.00 C ATOM 1015 O CYS A 64 2.250 21.150 13.149 1.00 1.00 O ATOM 1016 CB CYS A 64 3.849 22.697 10.330 1.00 1.00 C ATOM 1017 SG CYS A 64 3.675 23.046 8.555 1.00 1.00 S ATOM 0 H CYS A 64 1.551 23.777 10.337 1.00 1.00 H new ATOM 0 HA CYS A 64 2.550 21.058 10.659 1.00 1.00 H new ATOM 0 HB2 CYS A 64 4.104 23.623 10.845 1.00 1.00 H new ATOM 0 HB3 CYS A 64 4.686 22.013 10.471 1.00 1.00 H new ATOM 0 HG CYS A 64 2.991 22.095 7.991 1.00 1.00 H new ATOM 1023 N GLU A 65 3.293 23.191 13.069 1.00 1.00 N ATOM 1024 CA GLU A 65 3.450 23.330 14.507 1.00 1.00 C ATOM 1025 C GLU A 65 2.269 22.659 15.212 1.00 1.00 C ATOM 1026 O GLU A 65 2.476 22.085 16.291 1.00 1.00 O ATOM 1027 CB GLU A 65 3.572 24.798 14.919 1.00 1.00 C ATOM 1028 CG GLU A 65 5.033 25.253 14.902 1.00 1.00 C ATOM 1029 CD GLU A 65 5.341 26.156 16.098 1.00 1.00 C ATOM 1030 OE1 GLU A 65 4.508 26.994 16.472 1.00 1.00 O ATOM 1031 OE2 GLU A 65 6.492 25.961 16.646 1.00 1.00 O ATOM 0 H GLU A 65 3.663 23.974 12.530 1.00 1.00 H new ATOM 0 HA GLU A 65 4.375 22.838 14.807 1.00 1.00 H new ATOM 0 HB2 GLU A 65 2.986 25.419 14.242 1.00 1.00 H new ATOM 0 HB3 GLU A 65 3.156 24.935 15.917 1.00 1.00 H new ATOM 0 HG2 GLU A 65 5.689 24.383 14.921 1.00 1.00 H new ATOM 0 HG3 GLU A 65 5.240 25.788 13.975 1.00 1.00 H new ATOM 1038 N ASP A 66 1.075 22.743 14.598 1.00 1.00 N ATOM 1039 CA ASP A 66 -0.124 22.148 15.163 1.00 1.00 C ATOM 1040 C ASP A 66 -0.880 23.204 15.972 1.00 1.00 C ATOM 1041 O ASP A 66 -2.074 23.002 16.235 1.00 1.00 O ATOM 1042 CB ASP A 66 0.225 20.992 16.103 1.00 1.00 C ATOM 1043 CG ASP A 66 0.478 21.395 17.557 1.00 1.00 C ATOM 1044 OD1 ASP A 66 0.755 22.566 17.856 1.00 1.00 O ATOM 1045 OD2 ASP A 66 0.380 20.436 18.414 1.00 1.00 O ATOM 0 H ASP A 66 0.927 23.221 13.709 1.00 1.00 H new ATOM 0 HA ASP A 66 -0.734 21.773 14.341 1.00 1.00 H new ATOM 0 HB2 ASP A 66 -0.588 20.266 16.079 1.00 1.00 H new ATOM 0 HB3 ASP A 66 1.113 20.489 15.721 1.00 1.00 H new