USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=12 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 -131:sc= -18.1! USER MOD Set 1.2: A 64 CYS SG : rot -55:sc= -19.1! USER MOD Single : A 10 LYS NZ :NH3+ -165:sc= 0.977 (180deg=0.861!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 150:sc= -1.3! USER MOD Single : A 32 TYR OH : rot 96:sc= 0.209 USER MOD Single : A 33 ASN : amide:sc= 0.114 K(o=0.11,f=-3.4) USER MOD Single : A 34 ASN : amide:sc= -1.82! C(o=-1.8!,f=-4.9!) USER MOD Single : A 35 GLN : amide:sc= -0.279 K(o=-0.28,f=-1) USER MOD Single : A 36 THR OG1 : rot 170:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.092) 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= -6.59! C(o=-6.6!,f=-12!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -4.1! C(o=-4.1!,f=-6.7!) USER MOD Single : A 53 ASN : amide:sc= -2.46 K(o=-2.5,f=-5.2!) USER MOD Single : A 56 THR OG1 : rot -170:sc= -1.33 USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= -2.07 (180deg=-2.4) USER MOD Single : A 62 ASN : amide:sc=-0.00471 X(o=-0.0047,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 -3.863 9.147 0.438 1.00 1.00 N ATOM 146 CA LYS A 10 -4.743 9.677 1.466 1.00 1.00 C ATOM 147 C LYS A 10 -3.901 10.214 2.624 1.00 1.00 C ATOM 148 O LYS A 10 -2.831 9.646 2.889 1.00 1.00 O ATOM 149 CB LYS A 10 -5.768 8.622 1.888 1.00 1.00 C ATOM 150 CG LYS A 10 -7.184 9.200 1.879 1.00 1.00 C ATOM 151 CD LYS A 10 -7.843 9.056 3.253 1.00 1.00 C ATOM 152 CE LYS A 10 -9.064 9.971 3.374 1.00 1.00 C ATOM 153 NZ LYS A 10 -10.262 9.305 2.838 1.00 1.00 N ATOM 0 HA LYS A 10 -5.323 10.515 1.078 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -5.716 7.768 1.213 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -5.528 8.255 2.886 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -7.150 10.252 1.597 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -7.785 8.688 1.128 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -8.143 8.020 3.409 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -7.122 9.300 4.033 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -9.225 10.236 4.419 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -8.885 10.900 2.833 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -11.014 10.008 2.691 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -10.030 8.851 1.932 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -10.590 8.584 3.513 1.00 1.00 H new ATOM 167 N PRO A 11 -4.391 11.281 3.280 1.00 1.00 N ATOM 168 CA PRO A 11 -3.716 11.913 4.402 1.00 1.00 C ATOM 169 C PRO A 11 -3.656 10.971 5.606 1.00 1.00 C ATOM 170 O PRO A 11 -4.665 10.859 6.318 1.00 1.00 O ATOM 171 CB PRO A 11 -4.511 13.179 4.677 1.00 1.00 C ATOM 172 CG PRO A 11 -5.862 12.976 4.010 1.00 1.00 C ATOM 173 CD PRO A 11 -5.744 11.787 3.071 1.00 1.00 C ATOM 0 HA PRO A 11 -2.675 12.152 4.186 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -4.625 13.343 5.748 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -4.003 14.055 4.272 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -6.634 12.796 4.758 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -6.154 13.870 3.459 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -6.491 11.027 3.300 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -5.899 12.085 2.034 1.00 1.00 H new ATOM 181 N ASP A 12 -2.495 10.323 5.807 1.00 1.00 N ATOM 182 CA ASP A 12 -2.308 9.401 6.915 1.00 1.00 C ATOM 183 C ASP A 12 -2.563 10.136 8.232 1.00 1.00 C ATOM 184 O ASP A 12 -3.038 9.496 9.182 1.00 1.00 O ATOM 185 CB ASP A 12 -0.878 8.858 6.944 1.00 1.00 C ATOM 186 CG ASP A 12 -0.607 7.809 8.024 1.00 1.00 C ATOM 187 OD1 ASP A 12 -1.301 6.784 8.108 1.00 1.00 O ATOM 188 OD2 ASP A 12 0.376 8.080 8.814 1.00 1.00 O ATOM 0 H ASP A 12 -1.676 10.429 5.208 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.005 8.573 6.787 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -0.651 8.423 5.971 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -0.191 9.692 7.088 1.00 1.00 H new ATOM 193 N PHE A 13 -2.247 11.443 8.264 1.00 1.00 N ATOM 194 CA PHE A 13 -2.441 12.253 9.454 1.00 1.00 C ATOM 195 C PHE A 13 -3.894 12.134 9.916 1.00 1.00 C ATOM 196 O PHE A 13 -4.128 12.142 11.133 1.00 1.00 O ATOM 197 CB PHE A 13 -2.087 13.719 9.133 1.00 1.00 C ATOM 198 CG PHE A 13 -3.108 14.443 8.266 1.00 1.00 C ATOM 199 CD1 PHE A 13 -4.390 14.751 8.778 1.00 1.00 C ATOM 200 CD2 PHE A 13 -2.780 14.807 6.940 1.00 1.00 C ATOM 201 CE1 PHE A 13 -5.335 15.419 7.970 1.00 1.00 C ATOM 202 CE2 PHE A 13 -3.725 15.474 6.132 1.00 1.00 C ATOM 203 CZ PHE A 13 -5.003 15.781 6.647 1.00 1.00 C ATOM 0 H PHE A 13 -1.856 11.951 7.471 1.00 1.00 H new ATOM 0 HA PHE A 13 -1.791 11.904 10.257 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -1.973 14.265 10.070 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -1.120 13.744 8.630 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -4.646 14.474 9.790 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -1.803 14.574 6.544 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -6.313 15.653 8.364 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -3.471 15.750 5.119 1.00 1.00 H new ATOM 0 HZ PHE A 13 -5.726 16.293 6.029 1.00 1.00 H new ATOM 213 N CYS A 14 -4.826 12.028 8.952 1.00 1.00 N ATOM 214 CA CYS A 14 -6.241 11.909 9.258 1.00 1.00 C ATOM 215 C CYS A 14 -6.459 10.707 10.180 1.00 1.00 C ATOM 216 O CYS A 14 -7.293 10.807 11.092 1.00 1.00 O ATOM 217 CB CYS A 14 -7.076 11.807 7.980 1.00 1.00 C ATOM 218 SG CYS A 14 -7.349 13.384 7.120 1.00 1.00 S ATOM 0 H CYS A 14 -4.612 12.023 7.955 1.00 1.00 H new ATOM 0 HA CYS A 14 -6.575 12.808 9.776 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -6.584 11.116 7.295 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -8.044 11.373 8.229 1.00 1.00 H new ATOM 0 HG CYS A 14 -8.612 13.513 6.841 1.00 1.00 H new ATOM 224 N PHE A 15 -5.718 9.613 9.929 1.00 1.00 N ATOM 225 CA PHE A 15 -5.830 8.407 10.731 1.00 1.00 C ATOM 226 C PHE A 15 -4.988 8.562 11.999 1.00 1.00 C ATOM 227 O PHE A 15 -5.213 7.802 12.952 1.00 1.00 O ATOM 228 CB PHE A 15 -5.351 7.200 9.901 1.00 1.00 C ATOM 229 CG PHE A 15 -5.792 7.215 8.443 1.00 1.00 C ATOM 230 CD1 PHE A 15 -7.159 7.366 8.112 1.00 1.00 C ATOM 231 CD2 PHE A 15 -4.835 7.073 7.412 1.00 1.00 C ATOM 232 CE1 PHE A 15 -7.564 7.375 6.760 1.00 1.00 C ATOM 233 CE2 PHE A 15 -5.242 7.083 6.061 1.00 1.00 C ATOM 234 CZ PHE A 15 -6.606 7.235 5.735 1.00 1.00 C ATOM 0 H PHE A 15 -5.037 9.551 9.172 1.00 1.00 H new ATOM 0 HA PHE A 15 -6.868 8.243 11.021 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -4.262 7.161 9.937 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -5.718 6.286 10.368 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.894 7.475 8.896 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -3.790 6.957 7.659 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -8.609 7.489 6.510 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -4.509 6.974 5.276 1.00 1.00 H new ATOM 0 HZ PHE A 15 -6.916 7.244 4.701 1.00 1.00 H new ATOM 244 N LEU A 16 -4.052 9.528 11.986 1.00 1.00 N ATOM 245 CA LEU A 16 -3.187 9.778 13.126 1.00 1.00 C ATOM 246 C LEU A 16 -4.047 10.068 14.358 1.00 1.00 C ATOM 247 O LEU A 16 -4.880 10.984 14.294 1.00 1.00 O ATOM 248 CB LEU A 16 -2.181 10.884 12.804 1.00 1.00 C ATOM 249 CG LEU A 16 -0.999 11.018 13.766 1.00 1.00 C ATOM 250 CD1 LEU A 16 -1.443 11.629 15.097 1.00 1.00 C ATOM 251 CD2 LEU A 16 -0.295 9.674 13.959 1.00 1.00 C ATOM 0 H LEU A 16 -3.884 10.144 11.190 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.591 8.894 13.353 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -1.790 10.711 11.801 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -2.713 11.835 12.779 1.00 1.00 H new ATOM 0 HG LEU A 16 -0.274 11.701 13.324 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -0.584 11.713 15.763 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -1.864 12.619 14.921 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -2.197 10.991 15.557 1.00 1.00 H new ATOM 0 HD21 LEU A 16 0.541 9.797 14.647 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -0.999 8.950 14.369 1.00 1.00 H new ATOM 0 HD23 LEU A 16 0.075 9.316 12.998 1.00 1.00 H new ATOM 263 N GLU A 17 -3.832 9.296 15.438 1.00 1.00 N ATOM 264 CA GLU A 17 -4.582 9.469 16.671 1.00 1.00 C ATOM 265 C GLU A 17 -4.868 10.957 16.883 1.00 1.00 C ATOM 266 O GLU A 17 -4.077 11.784 16.405 1.00 1.00 O ATOM 267 CB GLU A 17 -3.838 8.878 17.869 1.00 1.00 C ATOM 268 CG GLU A 17 -2.796 9.860 18.407 1.00 1.00 C ATOM 269 CD GLU A 17 -2.081 9.286 19.632 1.00 1.00 C ATOM 270 OE1 GLU A 17 -2.850 9.005 20.629 1.00 1.00 O ATOM 271 OE2 GLU A 17 -0.852 9.124 19.614 1.00 1.00 O ATOM 0 H GLU A 17 -3.140 8.547 15.470 1.00 1.00 H new ATOM 0 HA GLU A 17 -5.525 8.929 16.586 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -4.549 8.630 18.657 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -3.350 7.949 17.576 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -2.067 10.085 17.628 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -3.280 10.800 18.672 1.00 1.00 H new ATOM 278 N GLU A 18 -5.974 11.264 17.584 1.00 1.00 N ATOM 279 CA GLU A 18 -6.357 12.639 17.855 1.00 1.00 C ATOM 280 C GLU A 18 -5.460 13.206 18.957 1.00 1.00 C ATOM 281 O GLU A 18 -5.514 12.693 20.084 1.00 1.00 O ATOM 282 CB GLU A 18 -7.834 12.745 18.242 1.00 1.00 C ATOM 283 CG GLU A 18 -8.025 12.522 19.743 1.00 1.00 C ATOM 284 CD GLU A 18 -9.495 12.256 20.075 1.00 1.00 C ATOM 285 OE1 GLU A 18 -10.340 12.983 19.427 1.00 1.00 O ATOM 286 OE2 GLU A 18 -9.795 11.394 20.915 1.00 1.00 O ATOM 0 H GLU A 18 -6.612 10.568 17.969 1.00 1.00 H new ATOM 0 HA GLU A 18 -6.224 13.225 16.945 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -8.216 13.727 17.965 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -8.413 12.009 17.685 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -7.416 11.679 20.069 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -7.677 13.397 20.292 1.00 1.00 H new ATOM 293 N ASP A 19 -4.666 14.237 18.616 1.00 1.00 N ATOM 294 CA ASP A 19 -3.768 14.865 19.570 1.00 1.00 C ATOM 295 C ASP A 19 -4.251 16.288 19.858 1.00 1.00 C ATOM 296 O ASP A 19 -4.005 17.174 19.027 1.00 1.00 O ATOM 297 CB ASP A 19 -2.346 14.953 19.012 1.00 1.00 C ATOM 298 CG ASP A 19 -1.240 15.024 20.067 1.00 1.00 C ATOM 299 OD1 ASP A 19 -1.142 16.001 20.824 1.00 1.00 O ATOM 300 OD2 ASP A 19 -0.446 14.008 20.094 1.00 1.00 O ATOM 0 H ASP A 19 -4.637 14.645 17.682 1.00 1.00 H new ATOM 0 HA ASP A 19 -3.763 14.260 20.477 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -2.167 14.085 18.377 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -2.276 15.834 18.374 1.00 1.00 H new ATOM 305 N PRO A 20 -4.918 16.475 21.011 1.00 1.00 N ATOM 306 CA PRO A 20 -5.443 17.763 21.434 1.00 1.00 C ATOM 307 C PRO A 20 -4.341 18.630 22.046 1.00 1.00 C ATOM 308 O PRO A 20 -4.292 18.737 23.280 1.00 1.00 O ATOM 309 CB PRO A 20 -6.553 17.431 22.418 1.00 1.00 C ATOM 310 CG PRO A 20 -6.301 15.999 22.862 1.00 1.00 C ATOM 311 CD PRO A 20 -5.292 15.385 21.906 1.00 1.00 C ATOM 0 HA PRO A 20 -5.829 18.354 20.603 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -6.538 18.112 23.269 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -7.532 17.528 21.950 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -5.921 15.977 23.883 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -7.230 15.428 22.855 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -4.425 14.997 22.441 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -5.726 14.551 21.354 1.00 1.00 H new ATOM 319 N GLY A 21 -3.492 19.221 21.186 1.00 1.00 N ATOM 320 CA GLY A 21 -2.403 20.069 21.639 1.00 1.00 C ATOM 321 C GLY A 21 -1.672 19.380 22.793 1.00 1.00 C ATOM 322 O GLY A 21 -2.007 18.226 23.098 1.00 1.00 O ATOM 0 H GLY A 21 -3.549 19.119 20.173 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -1.712 20.262 20.819 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -2.790 21.035 21.963 1.00 1.00 H new ATOM 326 N ILE A 22 -0.703 20.088 23.401 1.00 1.00 N ATOM 327 CA ILE A 22 0.065 19.548 24.509 1.00 1.00 C ATOM 328 C ILE A 22 -0.337 20.265 25.800 1.00 1.00 C ATOM 329 O ILE A 22 -0.093 19.711 26.882 1.00 1.00 O ATOM 330 CB ILE A 22 1.563 19.619 24.208 1.00 1.00 C ATOM 331 CG1 ILE A 22 2.040 18.352 23.495 1.00 1.00 C ATOM 332 CG2 ILE A 22 2.366 19.898 25.480 1.00 1.00 C ATOM 333 CD1 ILE A 22 1.073 17.955 22.377 1.00 1.00 C ATOM 0 H ILE A 22 -0.442 21.037 23.134 1.00 1.00 H new ATOM 0 HA ILE A 22 -0.159 18.490 24.648 1.00 1.00 H new ATOM 0 HB ILE A 22 1.735 20.454 23.529 1.00 1.00 H new ATOM 0 HG12 ILE A 22 3.034 18.517 23.079 1.00 1.00 H new ATOM 0 HG13 ILE A 22 2.126 17.537 24.213 1.00 1.00 H new ATOM 0 HG21 ILE A 22 3.428 19.943 25.237 1.00 1.00 H new ATOM 0 HG22 ILE A 22 2.051 20.850 25.908 1.00 1.00 H new ATOM 0 HG23 ILE A 22 2.193 19.100 26.202 1.00 1.00 H new ATOM 0 HD11 ILE A 22 1.435 17.052 21.886 1.00 1.00 H new ATOM 0 HD12 ILE A 22 0.086 17.768 22.799 1.00 1.00 H new ATOM 0 HD13 ILE A 22 1.008 18.763 21.648 1.00 1.00 H new ATOM 345 N CYS A 23 -0.935 21.462 25.663 1.00 1.00 N ATOM 346 CA CYS A 23 -1.365 22.243 26.810 1.00 1.00 C ATOM 347 C CYS A 23 -2.872 22.066 27.006 1.00 1.00 C ATOM 348 O CYS A 23 -3.267 21.152 27.744 1.00 1.00 O ATOM 349 CB CYS A 23 -0.979 23.715 26.651 1.00 1.00 C ATOM 350 SG CYS A 23 0.766 24.005 26.235 1.00 1.00 S ATOM 0 H CYS A 23 -1.127 21.900 24.762 1.00 1.00 H new ATOM 0 HA CYS A 23 -0.855 21.883 27.703 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -1.602 24.157 25.873 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -1.208 24.238 27.579 1.00 1.00 H new ATOM 0 HG CYS A 23 0.979 25.283 26.123 1.00 1.00 H new ATOM 356 N ARG A 24 -3.670 22.930 26.353 1.00 1.00 N ATOM 357 CA ARG A 24 -5.118 22.869 26.455 1.00 1.00 C ATOM 358 C ARG A 24 -5.738 23.823 25.433 1.00 1.00 C ATOM 359 O ARG A 24 -4.984 24.420 24.650 1.00 1.00 O ATOM 360 CB ARG A 24 -5.601 23.250 27.856 1.00 1.00 C ATOM 361 CG ARG A 24 -4.901 24.517 28.352 1.00 1.00 C ATOM 362 CD ARG A 24 -4.314 24.308 29.750 1.00 1.00 C ATOM 363 NE ARG A 24 -4.658 25.455 30.619 1.00 1.00 N ATOM 364 CZ ARG A 24 -5.892 25.687 31.114 1.00 1.00 C ATOM 365 NH1 ARG A 24 -6.884 24.838 30.811 1.00 1.00 N ATOM 366 NH2 ARG A 24 -6.123 26.751 31.896 1.00 1.00 N ATOM 0 H ARG A 24 -3.324 23.677 25.750 1.00 1.00 H new ATOM 0 HA ARG A 24 -5.427 21.843 26.256 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -6.679 23.408 27.842 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -5.408 22.429 28.547 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -4.107 24.794 27.658 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -5.610 25.345 28.371 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -4.701 23.385 30.182 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -3.231 24.201 29.687 1.00 1.00 H new ATOM 0 HE ARG A 24 -3.916 26.112 30.859 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -6.700 24.031 30.215 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -7.822 24.999 31.177 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -5.363 27.393 32.121 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -7.059 26.919 32.266 1.00 1.00 H new ATOM 380 N GLY A 25 -7.077 23.947 25.459 1.00 1.00 N ATOM 381 CA GLY A 25 -7.787 24.821 24.541 1.00 1.00 C ATOM 382 C GLY A 25 -8.830 24.007 23.772 1.00 1.00 C ATOM 383 O GLY A 25 -8.705 23.897 22.544 1.00 1.00 O ATOM 0 H GLY A 25 -7.680 23.447 26.112 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -8.272 25.628 25.091 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -7.086 25.284 23.846 1.00 1.00 H new ATOM 387 N TYR A 26 -9.822 23.461 24.498 1.00 1.00 N ATOM 388 CA TYR A 26 -10.842 22.672 23.828 1.00 1.00 C ATOM 389 C TYR A 26 -11.692 23.588 22.945 1.00 1.00 C ATOM 390 O TYR A 26 -12.203 24.589 23.466 1.00 1.00 O ATOM 391 CB TYR A 26 -11.696 21.929 24.872 1.00 1.00 C ATOM 392 CG TYR A 26 -10.914 20.974 25.764 1.00 1.00 C ATOM 393 CD1 TYR A 26 -9.575 20.648 25.448 1.00 1.00 C ATOM 394 CD2 TYR A 26 -11.517 20.413 26.913 1.00 1.00 C ATOM 395 CE1 TYR A 26 -8.845 19.766 26.273 1.00 1.00 C ATOM 396 CE2 TYR A 26 -10.787 19.531 27.738 1.00 1.00 C ATOM 397 CZ TYR A 26 -9.450 19.206 27.418 1.00 1.00 C ATOM 398 OH TYR A 26 -8.741 18.352 28.214 1.00 1.00 O ATOM 0 H TYR A 26 -9.929 23.552 25.508 1.00 1.00 H new ATOM 0 HA TYR A 26 -10.377 21.922 23.188 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -12.199 22.664 25.501 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -12.473 21.368 24.354 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -9.109 21.075 24.572 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -12.539 20.660 27.160 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -7.823 19.519 26.028 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -11.251 19.104 28.615 1.00 1.00 H new ATOM 0 HH TYR A 26 -9.304 18.058 28.961 1.00 1.00 H new ATOM 408 N ILE A 27 -11.816 23.244 21.650 1.00 1.00 N ATOM 409 CA ILE A 27 -12.587 24.041 20.712 1.00 1.00 C ATOM 410 C ILE A 27 -13.583 23.138 19.982 1.00 1.00 C ATOM 411 O ILE A 27 -14.072 23.541 18.916 1.00 1.00 O ATOM 412 CB ILE A 27 -11.658 24.815 19.776 1.00 1.00 C ATOM 413 CG1 ILE A 27 -10.463 25.390 20.541 1.00 1.00 C ATOM 414 CG2 ILE A 27 -12.424 25.898 19.014 1.00 1.00 C ATOM 415 CD1 ILE A 27 -9.172 25.240 19.734 1.00 1.00 C ATOM 0 H ILE A 27 -11.386 22.415 21.240 1.00 1.00 H new ATOM 0 HA ILE A 27 -13.168 24.796 21.241 1.00 1.00 H new ATOM 0 HB ILE A 27 -11.263 24.119 19.036 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -10.639 26.443 20.760 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -10.359 24.879 21.498 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -11.739 26.433 18.356 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -13.212 25.436 18.420 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -12.867 26.598 19.723 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -8.339 25.656 20.300 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -8.986 24.184 19.538 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -9.270 25.773 18.788 1.00 1.00 H new ATOM 427 N THR A 28 -13.861 21.956 20.559 1.00 1.00 N ATOM 428 CA THR A 28 -14.790 21.008 19.966 1.00 1.00 C ATOM 429 C THR A 28 -14.444 20.819 18.488 1.00 1.00 C ATOM 430 O THR A 28 -15.317 21.065 17.642 1.00 1.00 O ATOM 431 CB THR A 28 -16.215 21.513 20.198 1.00 1.00 C ATOM 432 OG1 THR A 28 -16.509 21.122 21.536 1.00 1.00 O ATOM 433 CG2 THR A 28 -17.247 20.759 19.355 1.00 1.00 C ATOM 0 H THR A 28 -13.449 21.644 21.438 1.00 1.00 H new ATOM 0 HA THR A 28 -14.714 20.025 20.431 1.00 1.00 H new ATOM 0 HB THR A 28 -16.265 22.577 19.968 1.00 1.00 H new ATOM 0 HG1 THR A 28 -17.415 21.412 21.770 1.00 1.00 H new ATOM 0 HG21 THR A 28 -18.242 21.156 19.557 1.00 1.00 H new ATOM 0 HG22 THR A 28 -17.014 20.884 18.297 1.00 1.00 H new ATOM 0 HG23 THR A 28 -17.221 19.699 19.609 1.00 1.00 H new ATOM 441 N ARG A 29 -13.199 20.393 18.210 1.00 1.00 N ATOM 442 CA ARG A 29 -12.747 20.174 16.847 1.00 1.00 C ATOM 443 C ARG A 29 -13.153 18.768 16.399 1.00 1.00 C ATOM 444 O ARG A 29 -13.755 18.044 17.204 1.00 1.00 O ATOM 445 CB ARG A 29 -11.229 20.321 16.726 1.00 1.00 C ATOM 446 CG ARG A 29 -10.795 21.764 16.991 1.00 1.00 C ATOM 447 CD ARG A 29 -11.380 22.713 15.943 1.00 1.00 C ATOM 448 NE ARG A 29 -10.898 24.092 16.183 1.00 1.00 N ATOM 449 CZ ARG A 29 -11.553 25.203 15.784 1.00 1.00 C ATOM 450 NH1 ARG A 29 -12.714 25.073 15.128 1.00 1.00 N ATOM 451 NH2 ARG A 29 -11.049 26.418 16.040 1.00 1.00 N ATOM 0 H ARG A 29 -12.495 20.196 18.921 1.00 1.00 H new ATOM 0 HA ARG A 29 -13.213 20.927 16.212 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -10.738 19.654 17.434 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -10.909 20.019 15.729 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -11.121 22.069 17.985 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -9.707 21.829 16.978 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -11.091 22.387 14.944 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -12.469 22.687 15.985 1.00 1.00 H new ATOM 0 HE ARG A 29 -10.016 24.210 16.681 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -13.091 24.145 14.937 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -13.221 25.903 14.820 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -10.164 26.508 16.540 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -11.550 27.253 15.735 1.00 1.00 H new ATOM 465 N TYR A 30 -12.820 18.416 15.144 1.00 1.00 N ATOM 466 CA TYR A 30 -13.181 17.096 14.656 1.00 1.00 C ATOM 467 C TYR A 30 -11.934 16.401 14.106 1.00 1.00 C ATOM 468 O TYR A 30 -10.966 17.108 13.788 1.00 1.00 O ATOM 469 CB TYR A 30 -14.286 17.217 13.592 1.00 1.00 C ATOM 470 CG TYR A 30 -15.581 17.843 14.093 1.00 1.00 C ATOM 471 CD1 TYR A 30 -15.612 19.198 14.495 1.00 1.00 C ATOM 472 CD2 TYR A 30 -16.760 17.066 14.165 1.00 1.00 C ATOM 473 CE1 TYR A 30 -16.813 19.772 14.963 1.00 1.00 C ATOM 474 CE2 TYR A 30 -17.961 17.640 14.632 1.00 1.00 C ATOM 475 CZ TYR A 30 -17.990 18.993 15.031 1.00 1.00 C ATOM 476 OH TYR A 30 -19.155 19.545 15.482 1.00 1.00 O ATOM 0 H TYR A 30 -12.321 19.009 14.481 1.00 1.00 H new ATOM 0 HA TYR A 30 -13.575 16.489 15.471 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -13.908 17.812 12.760 1.00 1.00 H new ATOM 0 HB3 TYR A 30 -14.505 16.224 13.200 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -14.714 19.796 14.444 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -16.741 16.030 13.861 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -16.833 20.807 15.269 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -18.859 17.043 14.684 1.00 1.00 H new ATOM 0 HH TYR A 30 -19.915 19.104 15.049 1.00 1.00 H new ATOM 486 N PHE A 31 -11.972 15.060 14.015 1.00 1.00 N ATOM 487 CA PHE A 31 -10.845 14.289 13.519 1.00 1.00 C ATOM 488 C PHE A 31 -11.357 12.990 12.894 1.00 1.00 C ATOM 489 O PHE A 31 -12.447 12.541 13.278 1.00 1.00 O ATOM 490 CB PHE A 31 -9.880 13.993 14.684 1.00 1.00 C ATOM 491 CG PHE A 31 -10.383 12.952 15.675 1.00 1.00 C ATOM 492 CD1 PHE A 31 -11.484 13.245 16.513 1.00 1.00 C ATOM 493 CD2 PHE A 31 -9.757 11.687 15.761 1.00 1.00 C ATOM 494 CE1 PHE A 31 -11.954 12.281 17.430 1.00 1.00 C ATOM 495 CE2 PHE A 31 -10.228 10.723 16.678 1.00 1.00 C ATOM 496 CZ PHE A 31 -11.326 11.020 17.513 1.00 1.00 C ATOM 0 H PHE A 31 -12.779 14.497 14.282 1.00 1.00 H new ATOM 0 HA PHE A 31 -10.309 14.854 12.757 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -8.929 13.655 14.273 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -9.684 14.921 15.221 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -11.966 14.209 16.451 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -8.916 11.458 15.123 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -12.795 12.508 18.069 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -9.748 9.758 16.741 1.00 1.00 H new ATOM 0 HZ PHE A 31 -11.686 10.283 18.215 1.00 1.00 H new ATOM 506 N TYR A 32 -10.574 12.421 11.960 1.00 1.00 N ATOM 507 CA TYR A 32 -11.006 11.188 11.326 1.00 1.00 C ATOM 508 C TYR A 32 -10.566 9.998 12.181 1.00 1.00 C ATOM 509 O TYR A 32 -9.402 9.590 12.058 1.00 1.00 O ATOM 510 CB TYR A 32 -10.436 11.108 9.897 1.00 1.00 C ATOM 511 CG TYR A 32 -11.082 10.047 9.018 1.00 1.00 C ATOM 512 CD1 TYR A 32 -10.641 8.705 9.090 1.00 1.00 C ATOM 513 CD2 TYR A 32 -12.127 10.391 8.130 1.00 1.00 C ATOM 514 CE1 TYR A 32 -11.238 7.717 8.279 1.00 1.00 C ATOM 515 CE2 TYR A 32 -12.724 9.403 7.319 1.00 1.00 C ATOM 516 CZ TYR A 32 -12.280 8.065 7.392 1.00 1.00 C ATOM 517 OH TYR A 32 -12.854 7.105 6.608 1.00 1.00 O ATOM 0 H TYR A 32 -9.675 12.786 11.645 1.00 1.00 H new ATOM 0 HA TYR A 32 -12.093 11.166 11.249 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -10.554 12.080 9.418 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -9.366 10.910 9.957 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -9.845 8.436 9.768 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -12.469 11.414 8.072 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -10.898 6.694 8.337 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -13.521 9.671 6.642 1.00 1.00 H new ATOM 0 HH TYR A 32 -13.668 6.772 7.041 1.00 1.00 H new ATOM 527 N ASN A 33 -11.480 9.480 13.021 1.00 1.00 N ATOM 528 CA ASN A 33 -11.177 8.357 13.892 1.00 1.00 C ATOM 529 C ASN A 33 -11.337 7.052 13.109 1.00 1.00 C ATOM 530 O ASN A 33 -12.417 6.835 12.539 1.00 1.00 O ATOM 531 CB ASN A 33 -12.132 8.312 15.086 1.00 1.00 C ATOM 532 CG ASN A 33 -11.557 7.455 16.216 1.00 1.00 C ATOM 533 OD1 ASN A 33 -10.536 6.803 16.077 1.00 1.00 O ATOM 534 ND2 ASN A 33 -12.269 7.493 17.339 1.00 1.00 N ATOM 0 H ASN A 33 -12.434 9.831 13.107 1.00 1.00 H new ATOM 0 HA ASN A 33 -10.155 8.476 14.252 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -12.314 9.324 15.449 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -13.094 7.908 14.772 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -11.969 6.955 18.152 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -13.115 8.061 17.387 1.00 1.00 H new ATOM 541 N ASN A 34 -10.278 6.223 13.096 1.00 1.00 N ATOM 542 CA ASN A 34 -10.302 4.954 12.389 1.00 1.00 C ATOM 543 C ASN A 34 -11.243 3.990 13.113 1.00 1.00 C ATOM 544 O ASN A 34 -11.765 3.073 12.461 1.00 1.00 O ATOM 545 CB ASN A 34 -8.911 4.318 12.352 1.00 1.00 C ATOM 546 CG ASN A 34 -8.948 2.960 11.649 1.00 1.00 C ATOM 547 OD1 ASN A 34 -9.920 2.587 11.014 1.00 1.00 O ATOM 548 ND2 ASN A 34 -7.837 2.243 11.799 1.00 1.00 N ATOM 0 H ASN A 34 -9.398 6.420 13.572 1.00 1.00 H new ATOM 0 HA ASN A 34 -10.640 5.142 11.370 1.00 1.00 H new ATOM 0 HB2 ASN A 34 -8.218 4.981 11.834 1.00 1.00 H new ATOM 0 HB3 ASN A 34 -8.536 4.195 13.368 1.00 1.00 H new ATOM 0 HD21 ASN A 34 -7.763 1.321 11.369 1.00 1.00 H new ATOM 0 HD22 ASN A 34 -7.059 2.615 12.344 1.00 1.00 H new ATOM 555 N GLN A 35 -11.440 4.211 14.425 1.00 1.00 N ATOM 556 CA GLN A 35 -12.310 3.368 15.227 1.00 1.00 C ATOM 557 C GLN A 35 -13.684 3.279 14.559 1.00 1.00 C ATOM 558 O GLN A 35 -14.298 2.204 14.615 1.00 1.00 O ATOM 559 CB GLN A 35 -12.431 3.887 16.661 1.00 1.00 C ATOM 560 CG GLN A 35 -12.522 2.730 17.658 1.00 1.00 C ATOM 561 CD GLN A 35 -13.942 2.164 17.712 1.00 1.00 C ATOM 562 OE1 GLN A 35 -14.277 1.192 17.054 1.00 1.00 O ATOM 563 NE2 GLN A 35 -14.757 2.824 18.531 1.00 1.00 N ATOM 0 H GLN A 35 -11.001 4.972 14.943 1.00 1.00 H new ATOM 0 HA GLN A 35 -11.873 2.371 15.286 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.569 4.510 16.900 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -13.315 4.518 16.750 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -11.824 1.943 17.372 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -12.226 3.075 18.649 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -14.413 3.630 19.053 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -15.726 2.524 18.637 1.00 1.00 H new ATOM 572 N THR A 36 -14.130 4.392 13.950 1.00 1.00 N ATOM 573 CA THR A 36 -15.418 4.439 13.279 1.00 1.00 C ATOM 574 C THR A 36 -15.213 4.841 11.817 1.00 1.00 C ATOM 575 O THR A 36 -16.182 5.286 11.186 1.00 1.00 O ATOM 576 CB THR A 36 -16.336 5.391 14.048 1.00 1.00 C ATOM 577 OG1 THR A 36 -15.700 6.661 13.925 1.00 1.00 O ATOM 578 CG2 THR A 36 -16.334 5.118 15.554 1.00 1.00 C ATOM 0 H THR A 36 -13.607 5.267 13.915 1.00 1.00 H new ATOM 0 HA THR A 36 -15.900 3.461 13.269 1.00 1.00 H new ATOM 0 HB THR A 36 -17.353 5.304 13.665 1.00 1.00 H new ATOM 0 HG1 THR A 36 -16.302 7.362 14.252 1.00 1.00 H new ATOM 0 HG21 THR A 36 -17.001 5.821 16.052 1.00 1.00 H new ATOM 0 HG22 THR A 36 -16.676 4.100 15.740 1.00 1.00 H new ATOM 0 HG23 THR A 36 -15.323 5.238 15.944 1.00 1.00 H new ATOM 586 N LYS A 37 -13.975 4.680 11.317 1.00 1.00 N ATOM 587 CA LYS A 37 -13.648 5.024 9.943 1.00 1.00 C ATOM 588 C LYS A 37 -14.486 6.229 9.512 1.00 1.00 C ATOM 589 O LYS A 37 -15.143 6.146 8.464 1.00 1.00 O ATOM 590 CB LYS A 37 -13.810 3.805 9.033 1.00 1.00 C ATOM 591 CG LYS A 37 -12.800 2.714 9.394 1.00 1.00 C ATOM 592 CD LYS A 37 -13.507 1.465 9.924 1.00 1.00 C ATOM 593 CE LYS A 37 -14.088 0.636 8.777 1.00 1.00 C ATOM 594 NZ LYS A 37 -13.893 -0.801 9.030 1.00 1.00 N ATOM 0 H LYS A 37 -13.190 4.312 11.855 1.00 1.00 H new ATOM 0 HA LYS A 37 -12.601 5.317 9.861 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -14.823 3.412 9.122 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -13.674 4.102 7.993 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -12.209 2.456 8.515 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -12.106 3.090 10.146 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -12.804 0.859 10.495 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -14.305 1.757 10.607 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -15.151 0.851 8.667 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -13.608 0.915 7.839 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -14.293 -1.350 8.242 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -12.876 -1.004 9.112 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -14.372 -1.066 9.914 1.00 1.00 H new ATOM 608 N GLN A 38 -14.448 7.308 10.314 1.00 1.00 N ATOM 609 CA GLN A 38 -15.199 8.516 10.016 1.00 1.00 C ATOM 610 C GLN A 38 -14.637 9.677 10.840 1.00 1.00 C ATOM 611 O GLN A 38 -13.554 9.517 11.421 1.00 1.00 O ATOM 612 CB GLN A 38 -16.694 8.329 10.282 1.00 1.00 C ATOM 613 CG GLN A 38 -17.524 8.755 9.070 1.00 1.00 C ATOM 614 CD GLN A 38 -18.294 7.568 8.487 1.00 1.00 C ATOM 615 OE1 GLN A 38 -19.439 7.312 8.822 1.00 1.00 O ATOM 616 NE2 GLN A 38 -17.602 6.859 7.600 1.00 1.00 N ATOM 0 H GLN A 38 -13.900 7.357 11.173 1.00 1.00 H new ATOM 0 HA GLN A 38 -15.091 8.741 8.955 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -16.897 7.284 10.517 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -16.988 8.915 11.153 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -18.223 9.539 9.361 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -16.870 9.178 8.308 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -16.647 7.129 7.365 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -18.026 6.045 7.155 1.00 1.00 H new ATOM 625 N CYS A 39 -15.371 10.803 10.873 1.00 1.00 N ATOM 626 CA CYS A 39 -14.948 11.976 11.618 1.00 1.00 C ATOM 627 C CYS A 39 -15.666 12.003 12.969 1.00 1.00 C ATOM 628 O CYS A 39 -16.905 12.037 12.978 1.00 1.00 O ATOM 629 CB CYS A 39 -15.192 13.257 10.817 1.00 1.00 C ATOM 630 SG CYS A 39 -14.032 13.531 9.446 1.00 1.00 S ATOM 0 H CYS A 39 -16.261 10.914 10.387 1.00 1.00 H new ATOM 0 HA CYS A 39 -13.874 11.921 11.797 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -16.206 13.231 10.417 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -15.139 14.109 11.495 1.00 1.00 H new ATOM 636 N GLU A 40 -14.887 11.988 14.065 1.00 1.00 N ATOM 637 CA GLU A 40 -15.445 12.010 15.407 1.00 1.00 C ATOM 638 C GLU A 40 -15.119 13.351 16.068 1.00 1.00 C ATOM 639 O GLU A 40 -14.018 13.871 15.835 1.00 1.00 O ATOM 640 CB GLU A 40 -14.928 10.843 16.250 1.00 1.00 C ATOM 641 CG GLU A 40 -15.462 9.508 15.725 1.00 1.00 C ATOM 642 CD GLU A 40 -16.818 9.176 16.352 1.00 1.00 C ATOM 643 OE1 GLU A 40 -17.664 10.150 16.369 1.00 1.00 O ATOM 644 OE2 GLU A 40 -17.034 8.038 16.796 1.00 1.00 O ATOM 0 H GLU A 40 -13.868 11.961 14.036 1.00 1.00 H new ATOM 0 HA GLU A 40 -16.527 11.896 15.338 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -13.838 10.834 16.235 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -15.232 10.977 17.288 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -15.560 9.552 14.640 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -14.750 8.714 15.949 1.00 1.00 H new ATOM 651 N ARG A 41 -16.067 13.875 16.866 1.00 1.00 N ATOM 652 CA ARG A 41 -15.881 15.142 17.552 1.00 1.00 C ATOM 653 C ARG A 41 -14.858 14.963 18.676 1.00 1.00 C ATOM 654 O ARG A 41 -14.795 13.865 19.248 1.00 1.00 O ATOM 655 CB ARG A 41 -17.193 15.660 18.145 1.00 1.00 C ATOM 656 CG ARG A 41 -17.586 17.000 17.520 1.00 1.00 C ATOM 657 CD ARG A 41 -19.100 17.088 17.317 1.00 1.00 C ATOM 658 NE ARG A 41 -19.801 16.646 18.544 1.00 1.00 N ATOM 659 CZ ARG A 41 -19.938 17.405 19.652 1.00 1.00 C ATOM 660 NH1 ARG A 41 -19.415 18.639 19.663 1.00 1.00 N ATOM 661 NH2 ARG A 41 -20.588 16.932 20.724 1.00 1.00 N ATOM 0 H ARG A 41 -16.967 13.430 17.044 1.00 1.00 H new ATOM 0 HA ARG A 41 -15.526 15.871 16.824 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -17.985 14.930 17.977 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -17.088 15.775 19.224 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -17.254 17.816 18.162 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -17.080 17.121 16.562 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -19.384 18.112 17.075 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -19.399 16.466 16.473 1.00 1.00 H new ATOM 0 HE ARG A 41 -20.206 15.710 18.553 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -18.922 18.991 18.842 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -19.510 19.226 20.492 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -20.984 15.992 20.707 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -20.687 17.512 21.557 1.00 1.00 H new ATOM 675 N PHE A 42 -14.088 16.028 18.965 1.00 1.00 N ATOM 676 CA PHE A 42 -13.079 15.988 20.009 1.00 1.00 C ATOM 677 C PHE A 42 -12.498 17.390 20.205 1.00 1.00 C ATOM 678 O PHE A 42 -12.603 18.206 19.278 1.00 1.00 O ATOM 679 CB PHE A 42 -11.975 14.989 19.611 1.00 1.00 C ATOM 680 CG PHE A 42 -10.828 15.594 18.813 1.00 1.00 C ATOM 681 CD1 PHE A 42 -11.072 16.159 17.540 1.00 1.00 C ATOM 682 CD2 PHE A 42 -9.516 15.602 19.341 1.00 1.00 C ATOM 683 CE1 PHE A 42 -10.012 16.725 16.800 1.00 1.00 C ATOM 684 CE2 PHE A 42 -8.457 16.168 18.600 1.00 1.00 C ATOM 685 CZ PHE A 42 -8.704 16.729 17.330 1.00 1.00 C ATOM 0 H PHE A 42 -14.155 16.924 18.482 1.00 1.00 H new ATOM 0 HA PHE A 42 -13.523 15.661 20.949 1.00 1.00 H new ATOM 0 HB2 PHE A 42 -11.571 14.535 20.516 1.00 1.00 H new ATOM 0 HB3 PHE A 42 -12.424 14.187 19.025 1.00 1.00 H new ATOM 0 HD1 PHE A 42 -12.072 16.157 17.133 1.00 1.00 H new ATOM 0 HD2 PHE A 42 -9.324 15.174 20.314 1.00 1.00 H new ATOM 0 HE1 PHE A 42 -10.202 17.155 15.828 1.00 1.00 H new ATOM 0 HE2 PHE A 42 -7.456 16.172 19.006 1.00 1.00 H new ATOM 0 HZ PHE A 42 -7.893 17.161 16.763 1.00 1.00 H new ATOM 695 N LYS A 43 -11.906 17.637 21.387 1.00 1.00 N ATOM 696 CA LYS A 43 -11.315 18.927 21.698 1.00 1.00 C ATOM 697 C LYS A 43 -9.907 18.996 21.102 1.00 1.00 C ATOM 698 O LYS A 43 -9.333 17.933 20.824 1.00 1.00 O ATOM 699 CB LYS A 43 -11.359 19.187 23.205 1.00 1.00 C ATOM 700 CG LYS A 43 -11.251 17.878 23.990 1.00 1.00 C ATOM 701 CD LYS A 43 -12.632 17.259 24.215 1.00 1.00 C ATOM 702 CE LYS A 43 -12.912 17.073 25.708 1.00 1.00 C ATOM 703 NZ LYS A 43 -14.124 16.261 25.907 1.00 1.00 N ATOM 0 H LYS A 43 -11.830 16.950 22.137 1.00 1.00 H new ATOM 0 HA LYS A 43 -11.893 19.731 21.242 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -10.543 19.853 23.487 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -12.288 19.695 23.463 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -10.618 17.176 23.448 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -10.771 18.064 24.951 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -13.397 17.898 23.775 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -12.690 16.296 23.708 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -12.060 16.589 26.186 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -13.036 18.045 26.185 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -14.300 16.144 26.925 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -14.937 16.738 25.467 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -13.992 15.327 25.469 1.00 1.00 H new ATOM 717 N TYR A 44 -9.389 20.223 20.922 1.00 1.00 N ATOM 718 CA TYR A 44 -8.057 20.357 20.356 1.00 1.00 C ATOM 719 C TYR A 44 -7.094 20.844 21.439 1.00 1.00 C ATOM 720 O TYR A 44 -6.524 19.993 22.138 1.00 1.00 O ATOM 721 CB TYR A 44 -8.096 21.315 19.150 1.00 1.00 C ATOM 722 CG TYR A 44 -6.728 21.704 18.609 1.00 1.00 C ATOM 723 CD1 TYR A 44 -5.575 21.003 19.031 1.00 1.00 C ATOM 724 CD2 TYR A 44 -6.601 22.760 17.678 1.00 1.00 C ATOM 725 CE1 TYR A 44 -4.305 21.357 18.529 1.00 1.00 C ATOM 726 CE2 TYR A 44 -5.330 23.115 17.176 1.00 1.00 C ATOM 727 CZ TYR A 44 -4.181 22.414 17.602 1.00 1.00 C ATOM 728 OH TYR A 44 -2.949 22.755 17.120 1.00 1.00 O ATOM 0 H TYR A 44 -9.859 21.099 21.153 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.702 19.391 19.997 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -8.670 20.848 18.350 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -8.630 22.221 19.438 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -5.667 20.194 19.740 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -7.479 23.297 17.350 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -3.427 20.819 18.854 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -5.237 23.923 16.466 1.00 1.00 H new ATOM 0 HH TYR A 44 -3.039 23.501 16.491 1.00 1.00 H new ATOM 789 N ASN A 50 -0.922 17.905 16.197 1.00 1.00 N ATOM 790 CA ASN A 50 -0.542 17.548 14.840 1.00 1.00 C ATOM 791 C ASN A 50 -1.682 17.906 13.884 1.00 1.00 C ATOM 792 O ASN A 50 -2.693 18.451 14.350 1.00 1.00 O ATOM 793 CB ASN A 50 -0.276 16.046 14.719 1.00 1.00 C ATOM 794 CG ASN A 50 -1.197 15.251 15.647 1.00 1.00 C ATOM 795 OD1 ASN A 50 -0.900 15.017 16.807 1.00 1.00 O ATOM 796 ND2 ASN A 50 -2.327 14.849 15.073 1.00 1.00 N ATOM 0 HA ASN A 50 0.366 18.096 14.589 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -0.429 15.728 13.688 1.00 1.00 H new ATOM 0 HB3 ASN A 50 0.765 15.836 14.966 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -3.008 14.310 15.609 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -2.513 15.079 14.097 1.00 1.00 H new ATOM 803 N MET A 51 -1.500 17.597 12.588 1.00 1.00 N ATOM 804 CA MET A 51 -2.506 17.883 11.580 1.00 1.00 C ATOM 805 C MET A 51 -3.876 17.432 12.089 1.00 1.00 C ATOM 806 O MET A 51 -4.711 18.299 12.382 1.00 1.00 O ATOM 807 CB MET A 51 -2.178 17.150 10.278 1.00 1.00 C ATOM 808 CG MET A 51 -1.429 18.065 9.307 1.00 1.00 C ATOM 809 SD MET A 51 0.207 18.479 9.978 1.00 1.00 S ATOM 810 CE MET A 51 0.838 19.538 8.643 1.00 1.00 C ATOM 0 H MET A 51 -0.659 17.148 12.225 1.00 1.00 H new ATOM 0 HA MET A 51 -2.518 18.956 11.386 1.00 1.00 H new ATOM 0 HB2 MET A 51 -1.572 16.270 10.495 1.00 1.00 H new ATOM 0 HB3 MET A 51 -3.099 16.797 9.814 1.00 1.00 H new ATOM 0 HG2 MET A 51 -1.321 17.572 8.341 1.00 1.00 H new ATOM 0 HG3 MET A 51 -2.003 18.976 9.138 1.00 1.00 H new ATOM 0 HE1 MET A 51 1.841 19.882 8.895 1.00 1.00 H new ATOM 0 HE2 MET A 51 0.872 18.970 7.713 1.00 1.00 H new ATOM 0 HE3 MET A 51 0.180 20.398 8.519 1.00 1.00 H new ATOM 820 N ASN A 52 -4.076 16.105 12.183 1.00 1.00 N ATOM 821 CA ASN A 52 -5.332 15.547 12.652 1.00 1.00 C ATOM 822 C ASN A 52 -5.982 16.521 13.637 1.00 1.00 C ATOM 823 O ASN A 52 -5.607 16.503 14.818 1.00 1.00 O ATOM 824 CB ASN A 52 -5.108 14.219 13.380 1.00 1.00 C ATOM 825 CG ASN A 52 -6.413 13.698 13.984 1.00 1.00 C ATOM 826 OD1 ASN A 52 -6.965 14.262 14.914 1.00 1.00 O ATOM 827 ND2 ASN A 52 -6.874 12.592 13.406 1.00 1.00 N ATOM 0 H ASN A 52 -3.374 15.407 11.937 1.00 1.00 H new ATOM 0 HA ASN A 52 -5.971 15.380 11.785 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -4.705 13.482 12.685 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -4.366 14.353 14.168 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -7.739 12.166 13.738 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -6.362 12.170 12.631 1.00 1.00 H new ATOM 834 N ASN A 53 -6.927 17.338 13.140 1.00 1.00 N ATOM 835 CA ASN A 53 -7.621 18.309 13.970 1.00 1.00 C ATOM 836 C ASN A 53 -8.358 19.306 13.073 1.00 1.00 C ATOM 837 O ASN A 53 -7.747 20.311 12.682 1.00 1.00 O ATOM 838 CB ASN A 53 -6.636 19.093 14.839 1.00 1.00 C ATOM 839 CG ASN A 53 -7.209 20.459 15.222 1.00 1.00 C ATOM 840 OD1 ASN A 53 -8.211 20.570 15.910 1.00 1.00 O ATOM 841 ND2 ASN A 53 -6.521 21.490 14.739 1.00 1.00 N ATOM 0 H ASN A 53 -7.221 17.337 12.163 1.00 1.00 H new ATOM 0 HA ASN A 53 -8.317 17.769 14.611 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -6.409 18.524 15.741 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -5.697 19.226 14.301 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -6.824 22.443 14.938 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -5.691 21.327 14.170 1.00 1.00 H new ATOM 848 N PHE A 54 -9.636 19.014 12.772 1.00 1.00 N ATOM 849 CA PHE A 54 -10.445 19.878 11.930 1.00 1.00 C ATOM 850 C PHE A 54 -11.384 20.705 12.811 1.00 1.00 C ATOM 851 O PHE A 54 -11.455 20.431 14.017 1.00 1.00 O ATOM 852 CB PHE A 54 -11.246 19.015 10.937 1.00 1.00 C ATOM 853 CG PHE A 54 -10.401 18.071 10.091 1.00 1.00 C ATOM 854 CD1 PHE A 54 -9.883 18.504 8.849 1.00 1.00 C ATOM 855 CD2 PHE A 54 -10.124 16.760 10.545 1.00 1.00 C ATOM 856 CE1 PHE A 54 -9.097 17.633 8.065 1.00 1.00 C ATOM 857 CE2 PHE A 54 -9.337 15.890 9.760 1.00 1.00 C ATOM 858 CZ PHE A 54 -8.824 16.326 8.521 1.00 1.00 C ATOM 0 H PHE A 54 -10.121 18.181 13.106 1.00 1.00 H new ATOM 0 HA PHE A 54 -9.807 20.558 11.365 1.00 1.00 H new ATOM 0 HB2 PHE A 54 -11.976 18.428 11.494 1.00 1.00 H new ATOM 0 HB3 PHE A 54 -11.806 19.674 10.273 1.00 1.00 H new ATOM 0 HD1 PHE A 54 -10.090 19.505 8.499 1.00 1.00 H new ATOM 0 HD2 PHE A 54 -10.515 16.424 11.494 1.00 1.00 H new ATOM 0 HE1 PHE A 54 -8.704 17.967 7.116 1.00 1.00 H new ATOM 0 HE2 PHE A 54 -9.128 14.890 10.109 1.00 1.00 H new ATOM 0 HZ PHE A 54 -8.222 15.659 7.921 1.00 1.00 H new ATOM 868 N GLU A 55 -12.075 21.685 12.200 1.00 1.00 N ATOM 869 CA GLU A 55 -13.000 22.541 12.924 1.00 1.00 C ATOM 870 C GLU A 55 -14.429 22.042 12.702 1.00 1.00 C ATOM 871 O GLU A 55 -15.175 21.933 13.687 1.00 1.00 O ATOM 872 CB GLU A 55 -12.858 24.005 12.501 1.00 1.00 C ATOM 873 CG GLU A 55 -11.440 24.516 12.762 1.00 1.00 C ATOM 874 CD GLU A 55 -11.429 26.036 12.938 1.00 1.00 C ATOM 875 OE1 GLU A 55 -12.395 26.660 12.353 1.00 1.00 O ATOM 876 OE2 GLU A 55 -10.533 26.576 13.604 1.00 1.00 O ATOM 0 H GLU A 55 -12.002 21.895 11.204 1.00 1.00 H new ATOM 0 HA GLU A 55 -12.763 22.493 13.987 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -13.096 24.106 11.442 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -13.575 24.617 13.048 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -11.037 24.040 13.656 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -10.791 24.238 11.932 1.00 1.00 H new ATOM 883 N THR A 56 -14.778 21.755 11.435 1.00 1.00 N ATOM 884 CA THR A 56 -16.105 21.273 11.092 1.00 1.00 C ATOM 885 C THR A 56 -16.013 19.811 10.650 1.00 1.00 C ATOM 886 O THR A 56 -14.992 19.438 10.054 1.00 1.00 O ATOM 887 CB THR A 56 -16.699 22.195 10.025 1.00 1.00 C ATOM 888 OG1 THR A 56 -15.561 22.697 9.328 1.00 1.00 O ATOM 889 CG2 THR A 56 -17.349 23.443 10.625 1.00 1.00 C ATOM 0 H THR A 56 -14.149 21.853 10.638 1.00 1.00 H new ATOM 0 HA THR A 56 -16.775 21.297 11.951 1.00 1.00 H new ATOM 0 HB THR A 56 -17.438 21.646 9.442 1.00 1.00 H new ATOM 0 HG1 THR A 56 -15.838 23.419 8.726 1.00 1.00 H new ATOM 0 HG21 THR A 56 -17.754 24.062 9.825 1.00 1.00 H new ATOM 0 HG22 THR A 56 -18.154 23.146 11.298 1.00 1.00 H new ATOM 0 HG23 THR A 56 -16.603 24.011 11.181 1.00 1.00 H new ATOM 897 N LEU A 57 -17.065 19.026 10.946 1.00 1.00 N ATOM 898 CA LEU A 57 -17.102 17.620 10.581 1.00 1.00 C ATOM 899 C LEU A 57 -16.914 17.485 9.068 1.00 1.00 C ATOM 900 O LEU A 57 -16.047 16.705 8.649 1.00 1.00 O ATOM 901 CB LEU A 57 -18.382 16.965 11.103 1.00 1.00 C ATOM 902 CG LEU A 57 -18.478 15.448 10.929 1.00 1.00 C ATOM 903 CD1 LEU A 57 -17.819 14.719 12.102 1.00 1.00 C ATOM 904 CD2 LEU A 57 -19.930 15.010 10.726 1.00 1.00 C ATOM 0 H LEU A 57 -17.896 19.353 11.438 1.00 1.00 H new ATOM 0 HA LEU A 57 -16.280 17.082 11.054 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -18.478 17.196 12.164 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -19.233 17.423 10.599 1.00 1.00 H new ATOM 0 HG LEU A 57 -17.929 15.172 10.028 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -17.901 13.642 11.954 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -16.767 14.998 12.159 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -18.319 14.997 13.030 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -19.970 13.927 10.605 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -20.522 15.300 11.594 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -20.334 15.490 9.834 1.00 1.00 H new ATOM 916 N GLU A 58 -17.718 18.234 8.293 1.00 1.00 N ATOM 917 CA GLU A 58 -17.640 18.198 6.842 1.00 1.00 C ATOM 918 C GLU A 58 -16.191 18.423 6.407 1.00 1.00 C ATOM 919 O GLU A 58 -15.697 17.647 5.576 1.00 1.00 O ATOM 920 CB GLU A 58 -18.571 19.230 6.204 1.00 1.00 C ATOM 921 CG GLU A 58 -19.185 18.690 4.910 1.00 1.00 C ATOM 922 CD GLU A 58 -20.121 19.720 4.276 1.00 1.00 C ATOM 923 OE1 GLU A 58 -19.706 20.860 4.018 1.00 1.00 O ATOM 924 OE2 GLU A 58 -21.320 19.301 4.049 1.00 1.00 O ATOM 0 H GLU A 58 -18.427 18.869 8.659 1.00 1.00 H new ATOM 0 HA GLU A 58 -17.970 17.218 6.498 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -19.364 19.492 6.905 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -18.016 20.144 5.993 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -18.393 18.432 4.207 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -19.736 17.773 5.120 1.00 1.00 H new ATOM 931 N GLU A 59 -15.549 19.464 6.968 1.00 1.00 N ATOM 932 CA GLU A 59 -14.170 19.785 6.640 1.00 1.00 C ATOM 933 C GLU A 59 -13.300 18.542 6.839 1.00 1.00 C ATOM 934 O GLU A 59 -12.523 18.215 5.930 1.00 1.00 O ATOM 935 CB GLU A 59 -13.652 20.957 7.476 1.00 1.00 C ATOM 936 CG GLU A 59 -12.677 21.817 6.670 1.00 1.00 C ATOM 937 CD GLU A 59 -12.797 23.292 7.056 1.00 1.00 C ATOM 938 OE1 GLU A 59 -14.006 23.725 7.185 1.00 1.00 O ATOM 939 OE2 GLU A 59 -11.776 23.976 7.220 1.00 1.00 O ATOM 0 H GLU A 59 -15.974 20.091 7.651 1.00 1.00 H new ATOM 0 HA GLU A 59 -14.122 20.094 5.596 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -14.490 21.568 7.811 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -13.156 20.579 8.370 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -11.657 21.474 6.842 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -12.877 21.699 5.605 1.00 1.00 H new ATOM 946 N CYS A 60 -13.445 17.886 8.005 1.00 1.00 N ATOM 947 CA CYS A 60 -12.677 16.692 8.316 1.00 1.00 C ATOM 948 C CYS A 60 -12.999 15.603 7.291 1.00 1.00 C ATOM 949 O CYS A 60 -12.134 14.749 7.048 1.00 1.00 O ATOM 950 CB CYS A 60 -12.943 16.225 9.749 1.00 1.00 C ATOM 951 SG CYS A 60 -12.372 14.540 10.118 1.00 1.00 S ATOM 0 H CYS A 60 -14.091 18.172 8.741 1.00 1.00 H new ATOM 0 HA CYS A 60 -11.613 16.920 8.255 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -12.458 16.917 10.438 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -14.014 16.281 9.942 1.00 1.00 H new ATOM 957 N LYS A 61 -14.215 15.653 6.720 1.00 1.00 N ATOM 958 CA LYS A 61 -14.643 14.677 5.732 1.00 1.00 C ATOM 959 C LYS A 61 -14.042 15.038 4.372 1.00 1.00 C ATOM 960 O LYS A 61 -13.441 14.156 3.741 1.00 1.00 O ATOM 961 CB LYS A 61 -16.169 14.563 5.719 1.00 1.00 C ATOM 962 CG LYS A 61 -16.720 14.413 7.138 1.00 1.00 C ATOM 963 CD LYS A 61 -17.766 13.299 7.206 1.00 1.00 C ATOM 964 CE LYS A 61 -17.406 12.273 8.282 1.00 1.00 C ATOM 965 NZ LYS A 61 -18.318 12.391 9.432 1.00 1.00 N ATOM 0 H LYS A 61 -14.913 16.366 6.934 1.00 1.00 H new ATOM 0 HA LYS A 61 -14.274 13.685 5.991 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -16.599 15.448 5.250 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -16.468 13.705 5.116 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -15.905 14.193 7.827 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -17.165 15.354 7.460 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -18.745 13.727 7.420 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -17.839 12.805 6.237 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -17.463 11.267 7.867 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -16.377 12.425 8.609 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -18.221 11.552 10.040 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -18.080 13.244 9.978 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -19.298 12.460 9.092 1.00 1.00 H new ATOM 979 N ASN A 62 -14.212 16.305 3.955 1.00 1.00 N ATOM 980 CA ASN A 62 -13.690 16.774 2.683 1.00 1.00 C ATOM 981 C ASN A 62 -12.208 16.409 2.579 1.00 1.00 C ATOM 982 O ASN A 62 -11.800 15.888 1.531 1.00 1.00 O ATOM 983 CB ASN A 62 -13.812 18.294 2.563 1.00 1.00 C ATOM 984 CG ASN A 62 -13.629 18.747 1.113 1.00 1.00 C ATOM 985 OD1 ASN A 62 -14.276 18.263 0.199 1.00 1.00 O ATOM 986 ND2 ASN A 62 -12.715 19.699 0.956 1.00 1.00 N ATOM 0 H ASN A 62 -14.710 17.016 4.491 1.00 1.00 H new ATOM 0 HA ASN A 62 -14.268 16.303 1.888 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -14.788 18.614 2.927 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -13.064 18.773 3.194 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -12.519 20.069 0.026 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -12.210 20.059 1.765 1.00 1.00 H new ATOM 993 N ILE A 63 -11.443 16.686 3.651 1.00 1.00 N ATOM 994 CA ILE A 63 -10.021 16.389 3.680 1.00 1.00 C ATOM 995 C ILE A 63 -9.823 14.876 3.796 1.00 1.00 C ATOM 996 O ILE A 63 -9.106 14.309 2.958 1.00 1.00 O ATOM 997 CB ILE A 63 -9.330 17.187 4.787 1.00 1.00 C ATOM 998 CG1 ILE A 63 -9.213 18.665 4.406 1.00 1.00 C ATOM 999 CG2 ILE A 63 -7.971 16.576 5.136 1.00 1.00 C ATOM 1000 CD1 ILE A 63 -10.479 19.432 4.794 1.00 1.00 C ATOM 0 H ILE A 63 -11.798 17.116 4.505 1.00 1.00 H new ATOM 0 HA ILE A 63 -9.547 16.702 2.750 1.00 1.00 H new ATOM 0 HB ILE A 63 -9.947 17.133 5.684 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -8.349 19.106 4.904 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -9.043 18.756 3.333 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -7.501 17.162 5.925 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -8.110 15.551 5.479 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -7.333 16.579 4.252 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -10.370 20.479 4.513 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -11.337 19.004 4.275 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -10.633 19.360 5.871 1.00 1.00 H new ATOM 1012 N CYS A 64 -10.450 14.263 4.816 1.00 1.00 N ATOM 1013 CA CYS A 64 -10.342 12.831 5.037 1.00 1.00 C ATOM 1014 C CYS A 64 -11.317 12.102 4.110 1.00 1.00 C ATOM 1015 O CYS A 64 -10.900 11.700 3.014 1.00 1.00 O ATOM 1016 CB CYS A 64 -10.581 12.480 6.507 1.00 1.00 C ATOM 1017 SG CYS A 64 -9.628 13.474 7.692 1.00 1.00 S ATOM 0 H CYS A 64 -11.036 14.749 5.496 1.00 1.00 H new ATOM 0 HA CYS A 64 -9.329 12.505 4.800 1.00 1.00 H new ATOM 0 HB2 CYS A 64 -11.642 12.598 6.726 1.00 1.00 H new ATOM 0 HB3 CYS A 64 -10.339 11.428 6.659 1.00 1.00 H new ATOM 0 HG CYS A 64 -8.362 13.393 7.407 1.00 1.00 H new ATOM 1023 N GLU A 65 -12.575 11.948 4.561 1.00 1.00 N ATOM 1024 CA GLU A 65 -13.596 11.274 3.777 1.00 1.00 C ATOM 1025 C GLU A 65 -13.320 11.496 2.289 1.00 1.00 C ATOM 1026 O GLU A 65 -13.565 10.572 1.499 1.00 1.00 O ATOM 1027 CB GLU A 65 -15.000 11.753 4.152 1.00 1.00 C ATOM 1028 CG GLU A 65 -15.557 10.952 5.330 1.00 1.00 C ATOM 1029 CD GLU A 65 -17.073 10.781 5.210 1.00 1.00 C ATOM 1030 OE1 GLU A 65 -17.642 11.554 4.348 1.00 1.00 O ATOM 1031 OE2 GLU A 65 -17.660 9.948 5.915 1.00 1.00 O ATOM 0 H GLU A 65 -12.898 12.286 5.468 1.00 1.00 H new ATOM 0 HA GLU A 65 -13.556 10.207 3.995 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -14.970 12.812 4.409 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -15.664 11.652 3.293 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -15.079 9.973 5.367 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -15.318 11.459 6.265 1.00 1.00 H new ATOM 1038 N ASP A 66 -12.825 12.697 1.940 1.00 1.00 N ATOM 1039 CA ASP A 66 -12.520 13.033 0.560 1.00 1.00 C ATOM 1040 C ASP A 66 -13.753 12.775 -0.308 1.00 1.00 C ATOM 1041 O ASP A 66 -14.843 12.597 0.255 1.00 1.00 O ATOM 1042 CB ASP A 66 -11.375 12.172 0.023 1.00 1.00 C ATOM 1043 CG ASP A 66 -11.757 10.732 -0.324 1.00 1.00 C ATOM 1044 OD1 ASP A 66 -12.804 10.479 -0.938 1.00 1.00 O ATOM 1045 OD2 ASP A 66 -10.916 9.835 0.067 1.00 1.00 O ATOM 0 H ASP A 66 -12.631 13.445 2.606 1.00 1.00 H new ATOM 0 HA ASP A 66 -12.228 14.083 0.526 1.00 1.00 H new ATOM 0 HB2 ASP A 66 -10.969 12.649 -0.869 1.00 1.00 H new ATOM 0 HB3 ASP A 66 -10.577 12.152 0.765 1.00 1.00 H new