USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=13 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 -96:sc= -16.3! USER MOD Set 1.2: A 64 CYS SG : rot -42:sc= -18.5! USER MOD Single : A 10 LYS NZ :NH3+ 149:sc= 0.911 (180deg=0.136) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.21 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 104:sc= 0.0637 USER MOD Single : A 30 TYR OH : rot 165:sc= -2.31! USER MOD Single : A 32 TYR OH : rot -74:sc= 0.388 USER MOD Single : A 33 ASN : amide:sc= 0.0642 K(o=0.064,f=-5.2!) USER MOD Single : A 34 ASN : amide:sc= -2.84 K(o=-2.8,f=-14!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 101:sc= 0.373 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0433 X(o=-0.043,f=0) 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= -2.28 K(o=-2.3,f=-2.9!) USER MOD Single : A 51 MET CE :methyl -155:sc= -0.0802 (180deg=-0.453) USER MOD Single : A 52 ASN : amide:sc= -4.9! C(o=-4.9!,f=-6.8!) USER MOD Single : A 53 ASN : amide:sc= -3.29! C(o=-3.3!,f=-4.2!) USER MOD Single : A 56 THR OG1 : rot 167:sc= -0.701 USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= -4.8! (180deg=-4.9!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 3.319 -3.014 11.093 1.00 1.00 N ATOM 146 CA LYS A 10 2.001 -2.880 11.691 1.00 1.00 C ATOM 147 C LYS A 10 2.120 -2.111 13.009 1.00 1.00 C ATOM 148 O LYS A 10 3.146 -2.261 13.689 1.00 1.00 O ATOM 149 CB LYS A 10 1.338 -4.251 11.837 1.00 1.00 C ATOM 150 CG LYS A 10 0.116 -4.368 10.923 1.00 1.00 C ATOM 151 CD LYS A 10 -1.135 -4.735 11.724 1.00 1.00 C ATOM 152 CE LYS A 10 -1.959 -5.799 10.996 1.00 1.00 C ATOM 153 NZ LYS A 10 -3.391 -5.460 11.040 1.00 1.00 N ATOM 0 HA LYS A 10 1.344 -2.301 11.042 1.00 1.00 H new ATOM 0 HB2 LYS A 10 2.056 -5.034 11.593 1.00 1.00 H new ATOM 0 HB3 LYS A 10 1.038 -4.406 12.873 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -0.045 -3.424 10.403 1.00 1.00 H new ATOM 0 HG3 LYS A 10 0.299 -5.125 10.160 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -0.846 -5.104 12.708 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -1.743 -3.845 11.883 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -1.629 -5.877 9.960 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -1.795 -6.773 11.457 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -3.859 -5.818 10.183 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -3.825 -5.895 11.879 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -3.502 -4.427 11.089 1.00 1.00 H new ATOM 167 N PRO A 11 1.086 -1.317 13.338 1.00 1.00 N ATOM 168 CA PRO A 11 1.040 -0.521 14.552 1.00 1.00 C ATOM 169 C PRO A 11 0.961 -1.415 15.791 1.00 1.00 C ATOM 170 O PRO A 11 -0.120 -1.962 16.055 1.00 1.00 O ATOM 171 CB PRO A 11 -0.175 0.378 14.389 1.00 1.00 C ATOM 172 CG PRO A 11 -1.028 -0.268 13.309 1.00 1.00 C ATOM 173 CD PRO A 11 -0.178 -1.313 12.606 1.00 1.00 C ATOM 0 HA PRO A 11 1.941 0.074 14.699 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -0.727 0.462 15.325 1.00 1.00 H new ATOM 0 HB3 PRO A 11 0.121 1.387 14.102 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.914 -0.728 13.747 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -1.376 0.482 12.598 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -0.654 -2.293 12.632 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -0.027 -1.060 11.557 1.00 1.00 H new ATOM 181 N ASP A 12 2.087 -1.543 16.514 1.00 1.00 N ATOM 182 CA ASP A 12 2.144 -2.363 17.713 1.00 1.00 C ATOM 183 C ASP A 12 1.179 -1.799 18.758 1.00 1.00 C ATOM 184 O ASP A 12 0.630 -2.588 19.540 1.00 1.00 O ATOM 185 CB ASP A 12 3.549 -2.360 18.317 1.00 1.00 C ATOM 186 CG ASP A 12 4.295 -1.028 18.212 1.00 1.00 C ATOM 187 OD1 ASP A 12 3.682 0.035 18.038 1.00 1.00 O ATOM 188 OD2 ASP A 12 5.578 -1.112 18.316 1.00 1.00 O ATOM 0 H ASP A 12 2.967 -1.083 16.279 1.00 1.00 H new ATOM 0 HA ASP A 12 1.873 -3.382 17.437 1.00 1.00 H new ATOM 0 HB2 ASP A 12 3.477 -2.637 19.369 1.00 1.00 H new ATOM 0 HB3 ASP A 12 4.142 -3.131 17.825 1.00 1.00 H new ATOM 193 N PHE A 13 0.995 -0.467 18.750 1.00 1.00 N ATOM 194 CA PHE A 13 0.105 0.193 19.690 1.00 1.00 C ATOM 195 C PHE A 13 -1.280 -0.453 19.614 1.00 1.00 C ATOM 196 O PHE A 13 -2.008 -0.407 20.617 1.00 1.00 O ATOM 197 CB PHE A 13 0.027 1.694 19.348 1.00 1.00 C ATOM 198 CG PHE A 13 -0.752 2.017 18.080 1.00 1.00 C ATOM 199 CD1 PHE A 13 -2.154 1.837 18.037 1.00 1.00 C ATOM 200 CD2 PHE A 13 -0.073 2.493 16.934 1.00 1.00 C ATOM 201 CE1 PHE A 13 -2.872 2.133 16.858 1.00 1.00 C ATOM 202 CE2 PHE A 13 -0.792 2.789 15.756 1.00 1.00 C ATOM 203 CZ PHE A 13 -2.191 2.609 15.718 1.00 1.00 C ATOM 0 H PHE A 13 1.457 0.165 18.097 1.00 1.00 H new ATOM 0 HA PHE A 13 0.485 0.085 20.706 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -0.433 2.220 20.185 1.00 1.00 H new ATOM 0 HB3 PHE A 13 1.040 2.083 19.245 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -2.677 1.472 18.909 1.00 1.00 H new ATOM 0 HD2 PHE A 13 0.998 2.630 16.960 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -3.943 1.995 16.829 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -0.271 3.154 14.883 1.00 1.00 H new ATOM 0 HZ PHE A 13 -2.740 2.836 14.816 1.00 1.00 H new ATOM 213 N CYS A 14 -1.611 -1.033 18.447 1.00 1.00 N ATOM 214 CA CYS A 14 -2.895 -1.681 18.246 1.00 1.00 C ATOM 215 C CYS A 14 -3.008 -2.884 19.186 1.00 1.00 C ATOM 216 O CYS A 14 -4.102 -3.112 19.723 1.00 1.00 O ATOM 217 CB CYS A 14 -3.089 -2.082 16.782 1.00 1.00 C ATOM 218 SG CYS A 14 -3.534 -0.715 15.670 1.00 1.00 S ATOM 0 H CYS A 14 -0.997 -1.060 17.633 1.00 1.00 H new ATOM 0 HA CYS A 14 -3.693 -0.978 18.485 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -2.169 -2.541 16.421 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -3.867 -2.843 16.728 1.00 1.00 H new ATOM 0 HG CYS A 14 -4.825 -0.680 15.521 1.00 1.00 H new ATOM 224 N PHE A 15 -1.893 -3.616 19.363 1.00 1.00 N ATOM 225 CA PHE A 15 -1.868 -4.781 20.230 1.00 1.00 C ATOM 226 C PHE A 15 -1.685 -4.329 21.680 1.00 1.00 C ATOM 227 O PHE A 15 -1.595 -5.197 22.561 1.00 1.00 O ATOM 228 CB PHE A 15 -0.717 -5.711 19.797 1.00 1.00 C ATOM 229 CG PHE A 15 -0.554 -5.859 18.290 1.00 1.00 C ATOM 230 CD1 PHE A 15 -1.621 -6.346 17.500 1.00 1.00 C ATOM 231 CD2 PHE A 15 0.672 -5.518 17.674 1.00 1.00 C ATOM 232 CE1 PHE A 15 -1.464 -6.486 16.105 1.00 1.00 C ATOM 233 CE2 PHE A 15 0.828 -5.658 16.278 1.00 1.00 C ATOM 234 CZ PHE A 15 -0.240 -6.142 15.494 1.00 1.00 C ATOM 0 H PHE A 15 -1.002 -3.411 18.911 1.00 1.00 H new ATOM 0 HA PHE A 15 -2.808 -5.328 20.152 1.00 1.00 H new ATOM 0 HB2 PHE A 15 0.216 -5.332 20.215 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -0.882 -6.698 20.230 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -2.559 -6.611 17.966 1.00 1.00 H new ATOM 0 HD2 PHE A 15 1.491 -5.149 18.273 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -2.281 -6.857 15.504 1.00 1.00 H new ATOM 0 HE2 PHE A 15 1.765 -5.395 15.810 1.00 1.00 H new ATOM 0 HZ PHE A 15 -0.121 -6.249 14.426 1.00 1.00 H new ATOM 244 N LEU A 16 -1.634 -3.003 21.895 1.00 1.00 N ATOM 245 CA LEU A 16 -1.464 -2.444 23.226 1.00 1.00 C ATOM 246 C LEU A 16 -2.784 -2.549 23.991 1.00 1.00 C ATOM 247 O LEU A 16 -3.834 -2.261 23.398 1.00 1.00 O ATOM 248 CB LEU A 16 -0.912 -1.020 23.143 1.00 1.00 C ATOM 249 CG LEU A 16 -0.162 -0.517 24.378 1.00 1.00 C ATOM 250 CD1 LEU A 16 0.899 0.516 23.993 1.00 1.00 C ATOM 251 CD2 LEU A 16 -1.134 0.023 25.428 1.00 1.00 C ATOM 0 H LEU A 16 -1.709 -2.306 21.155 1.00 1.00 H new ATOM 0 HA LEU A 16 -0.724 -3.015 23.787 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -0.241 -0.961 22.286 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -1.742 -0.341 22.945 1.00 1.00 H new ATOM 0 HG LEU A 16 0.360 -1.362 24.828 1.00 1.00 H new ATOM 0 HD11 LEU A 16 1.417 0.857 24.889 1.00 1.00 H new ATOM 0 HD12 LEU A 16 1.617 0.063 23.309 1.00 1.00 H new ATOM 0 HD13 LEU A 16 0.420 1.365 23.506 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -0.575 0.374 26.295 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -1.704 0.850 25.005 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -1.817 -0.770 25.733 1.00 1.00 H new ATOM 263 N GLU A 17 -2.707 -2.951 25.272 1.00 1.00 N ATOM 264 CA GLU A 17 -3.888 -3.091 26.108 1.00 1.00 C ATOM 265 C GLU A 17 -4.687 -1.787 26.077 1.00 1.00 C ATOM 266 O GLU A 17 -4.065 -0.714 26.094 1.00 1.00 O ATOM 267 CB GLU A 17 -3.519 -3.475 27.542 1.00 1.00 C ATOM 268 CG GLU A 17 -2.243 -2.760 27.990 1.00 1.00 C ATOM 269 CD GLU A 17 -2.191 -2.634 29.514 1.00 1.00 C ATOM 270 OE1 GLU A 17 -2.888 -3.377 30.222 1.00 1.00 O ATOM 271 OE2 GLU A 17 -1.390 -1.726 29.959 1.00 1.00 O ATOM 0 H GLU A 17 -1.832 -3.183 25.742 1.00 1.00 H new ATOM 0 HA GLU A 17 -4.503 -3.899 25.712 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -4.339 -3.219 28.213 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -3.378 -4.554 27.609 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -1.371 -3.310 27.637 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -2.199 -1.769 27.538 1.00 1.00 H new ATOM 278 N GLU A 18 -6.026 -1.901 26.033 1.00 1.00 N ATOM 279 CA GLU A 18 -6.898 -0.739 26.000 1.00 1.00 C ATOM 280 C GLU A 18 -6.449 0.259 27.069 1.00 1.00 C ATOM 281 O GLU A 18 -6.172 -0.171 28.198 1.00 1.00 O ATOM 282 CB GLU A 18 -8.364 -1.130 26.196 1.00 1.00 C ATOM 283 CG GLU A 18 -8.729 -1.162 27.681 1.00 1.00 C ATOM 284 CD GLU A 18 -9.939 -2.066 27.929 1.00 1.00 C ATOM 285 OE1 GLU A 18 -9.977 -3.200 27.429 1.00 1.00 O ATOM 286 OE2 GLU A 18 -10.860 -1.553 28.671 1.00 1.00 O ATOM 0 H GLU A 18 -6.518 -2.794 26.020 1.00 1.00 H new ATOM 0 HA GLU A 18 -6.823 -0.273 25.017 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -9.006 -0.420 25.675 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -8.546 -2.109 25.752 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -7.878 -1.520 28.261 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -8.948 -0.152 28.027 1.00 1.00 H new ATOM 293 N ASP A 19 -6.389 1.551 26.700 1.00 1.00 N ATOM 294 CA ASP A 19 -5.979 2.598 27.621 1.00 1.00 C ATOM 295 C ASP A 19 -7.028 3.711 27.621 1.00 1.00 C ATOM 296 O ASP A 19 -7.112 4.442 26.623 1.00 1.00 O ATOM 297 CB ASP A 19 -4.641 3.208 27.199 1.00 1.00 C ATOM 298 CG ASP A 19 -3.830 3.836 28.335 1.00 1.00 C ATOM 299 OD1 ASP A 19 -3.220 2.995 29.099 1.00 1.00 O ATOM 300 OD2 ASP A 19 -3.783 5.067 28.482 1.00 1.00 O ATOM 0 H ASP A 19 -6.622 1.884 25.765 1.00 1.00 H new ATOM 0 HA ASP A 19 -5.877 2.156 28.612 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -4.038 2.432 26.728 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -4.829 3.970 26.442 1.00 1.00 H new ATOM 305 N PRO A 20 -7.793 3.817 28.722 1.00 1.00 N ATOM 306 CA PRO A 20 -8.834 4.818 28.882 1.00 1.00 C ATOM 307 C PRO A 20 -8.238 6.168 29.288 1.00 1.00 C ATOM 308 O PRO A 20 -8.909 7.192 29.093 1.00 1.00 O ATOM 309 CB PRO A 20 -9.774 4.245 29.930 1.00 1.00 C ATOM 310 CG PRO A 20 -8.984 3.165 30.652 1.00 1.00 C ATOM 311 CD PRO A 20 -7.745 2.863 29.826 1.00 1.00 C ATOM 0 HA PRO A 20 -9.369 5.020 27.954 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -10.103 5.018 30.624 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -10.669 3.830 29.467 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -8.705 3.500 31.651 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -9.589 2.267 30.775 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -6.837 2.985 30.416 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -7.753 1.836 29.462 1.00 1.00 H new ATOM 319 N GLY A 21 -7.009 6.143 29.835 1.00 1.00 N ATOM 320 CA GLY A 21 -6.332 7.356 30.263 1.00 1.00 C ATOM 321 C GLY A 21 -6.626 7.603 31.744 1.00 1.00 C ATOM 322 O GLY A 21 -6.894 6.629 32.463 1.00 1.00 O ATOM 0 H GLY A 21 -6.473 5.288 29.986 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -5.258 7.262 30.104 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -6.669 8.204 29.667 1.00 1.00 H new ATOM 326 N ILE A 22 -6.570 8.880 32.164 1.00 1.00 N ATOM 327 CA ILE A 22 -6.828 9.247 33.546 1.00 1.00 C ATOM 328 C ILE A 22 -8.267 9.749 33.676 1.00 1.00 C ATOM 329 O ILE A 22 -9.129 8.966 34.101 1.00 1.00 O ATOM 330 CB ILE A 22 -5.781 10.248 34.038 1.00 1.00 C ATOM 331 CG1 ILE A 22 -4.688 10.459 32.988 1.00 1.00 C ATOM 332 CG2 ILE A 22 -5.204 9.819 35.389 1.00 1.00 C ATOM 333 CD1 ILE A 22 -3.438 11.080 33.616 1.00 1.00 C ATOM 0 H ILE A 22 -6.347 9.668 31.556 1.00 1.00 H new ATOM 0 HA ILE A 22 -6.734 8.377 34.195 1.00 1.00 H new ATOM 0 HB ILE A 22 -6.272 11.209 34.189 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -4.432 9.505 32.527 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -5.061 11.107 32.194 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -4.462 10.548 35.716 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -6.006 9.762 36.125 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -4.733 8.841 35.289 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -2.676 11.220 32.849 1.00 1.00 H new ATOM 0 HD12 ILE A 22 -3.692 12.045 34.055 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -3.054 10.418 34.392 1.00 1.00 H new ATOM 345 N CYS A 23 -8.495 11.024 33.313 1.00 1.00 N ATOM 346 CA CYS A 23 -9.818 11.621 33.388 1.00 1.00 C ATOM 347 C CYS A 23 -10.876 10.535 33.181 1.00 1.00 C ATOM 348 O CYS A 23 -10.981 10.021 32.058 1.00 1.00 O ATOM 349 CB CYS A 23 -9.967 12.762 32.380 1.00 1.00 C ATOM 350 SG CYS A 23 -8.411 13.318 31.624 1.00 1.00 S ATOM 0 H CYS A 23 -7.771 11.653 32.966 1.00 1.00 H new ATOM 0 HA CYS A 23 -9.960 12.059 34.376 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -10.645 12.443 31.589 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -10.436 13.610 32.879 1.00 1.00 H new ATOM 0 HG CYS A 23 -8.655 14.283 30.788 1.00 1.00 H new ATOM 356 N ARG A 24 -11.625 10.212 34.250 1.00 1.00 N ATOM 357 CA ARG A 24 -12.663 9.197 34.185 1.00 1.00 C ATOM 358 C ARG A 24 -13.710 9.611 33.150 1.00 1.00 C ATOM 359 O ARG A 24 -14.877 9.787 33.529 1.00 1.00 O ATOM 360 CB ARG A 24 -13.345 9.001 35.541 1.00 1.00 C ATOM 361 CG ARG A 24 -13.474 10.330 36.287 1.00 1.00 C ATOM 362 CD ARG A 24 -12.384 10.469 37.351 1.00 1.00 C ATOM 363 NE ARG A 24 -12.994 10.769 38.666 1.00 1.00 N ATOM 364 CZ ARG A 24 -12.305 10.826 39.825 1.00 1.00 C ATOM 365 NH1 ARG A 24 -10.984 10.601 39.808 1.00 1.00 N ATOM 366 NH2 ARG A 24 -12.932 11.103 40.977 1.00 1.00 N ATOM 0 H ARG A 24 -11.522 10.647 35.167 1.00 1.00 H new ATOM 0 HA ARG A 24 -12.197 8.254 33.900 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -14.333 8.564 35.395 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -12.771 8.297 36.143 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -13.404 11.156 35.580 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -14.456 10.394 36.756 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -11.804 9.548 37.412 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -11.692 11.264 37.072 1.00 1.00 H new ATOM 0 HE ARG A 24 -13.998 10.944 38.698 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -10.514 10.390 38.928 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -10.449 10.640 40.675 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -13.938 11.273 40.982 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -12.403 11.144 41.848 1.00 1.00 H new ATOM 380 N GLY A 25 -13.281 9.756 31.883 1.00 1.00 N ATOM 381 CA GLY A 25 -14.176 10.144 30.807 1.00 1.00 C ATOM 382 C GLY A 25 -14.600 8.898 30.027 1.00 1.00 C ATOM 383 O GLY A 25 -14.040 8.659 28.947 1.00 1.00 O ATOM 0 H GLY A 25 -12.315 9.607 31.591 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -15.053 10.649 31.212 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -13.679 10.851 30.143 1.00 1.00 H new ATOM 387 N TYR A 26 -15.565 8.142 30.579 1.00 1.00 N ATOM 388 CA TYR A 26 -16.010 6.943 29.890 1.00 1.00 C ATOM 389 C TYR A 26 -16.616 7.330 28.540 1.00 1.00 C ATOM 390 O TYR A 26 -17.728 7.877 28.535 1.00 1.00 O ATOM 391 CB TYR A 26 -17.015 6.177 30.771 1.00 1.00 C ATOM 392 CG TYR A 26 -16.396 5.476 31.972 1.00 1.00 C ATOM 393 CD1 TYR A 26 -14.990 5.377 32.086 1.00 1.00 C ATOM 394 CD2 TYR A 26 -17.219 4.925 32.982 1.00 1.00 C ATOM 395 CE1 TYR A 26 -14.412 4.730 33.198 1.00 1.00 C ATOM 396 CE2 TYR A 26 -16.640 4.279 34.094 1.00 1.00 C ATOM 397 CZ TYR A 26 -15.236 4.180 34.204 1.00 1.00 C ATOM 398 OH TYR A 26 -14.672 3.554 35.279 1.00 1.00 O ATOM 0 H TYR A 26 -16.030 8.338 31.466 1.00 1.00 H new ATOM 0 HA TYR A 26 -15.164 6.281 29.704 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -17.774 6.875 31.125 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -17.526 5.435 30.157 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -14.357 5.798 31.319 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -18.293 4.999 32.901 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -13.338 4.655 33.280 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -17.272 3.859 34.863 1.00 1.00 H new ATOM 0 HH TYR A 26 -15.378 3.233 35.878 1.00 1.00 H new ATOM 408 N ILE A 27 -15.887 7.056 27.443 1.00 1.00 N ATOM 409 CA ILE A 27 -16.351 7.387 26.107 1.00 1.00 C ATOM 410 C ILE A 27 -16.323 6.129 25.235 1.00 1.00 C ATOM 411 O ILE A 27 -15.267 5.483 25.168 1.00 1.00 O ATOM 412 CB ILE A 27 -15.544 8.552 25.532 1.00 1.00 C ATOM 413 CG1 ILE A 27 -15.214 9.579 26.617 1.00 1.00 C ATOM 414 CG2 ILE A 27 -16.267 9.187 24.343 1.00 1.00 C ATOM 415 CD1 ILE A 27 -13.705 9.811 26.713 1.00 1.00 C ATOM 0 H ILE A 27 -14.973 6.604 27.469 1.00 1.00 H new ATOM 0 HA ILE A 27 -17.385 7.731 26.138 1.00 1.00 H new ATOM 0 HB ILE A 27 -14.597 8.160 25.161 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -15.717 10.521 26.396 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -15.594 9.233 27.578 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -15.671 10.013 23.954 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -16.407 8.440 23.561 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -17.239 9.561 24.666 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -13.499 10.545 27.492 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -13.207 8.873 26.958 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -13.332 10.181 25.758 1.00 1.00 H new ATOM 427 N THR A 28 -17.463 5.813 24.596 1.00 1.00 N ATOM 428 CA THR A 28 -17.567 4.645 23.739 1.00 1.00 C ATOM 429 C THR A 28 -16.438 4.674 22.706 1.00 1.00 C ATOM 430 O THR A 28 -16.657 5.204 21.607 1.00 1.00 O ATOM 431 CB THR A 28 -18.962 4.621 23.112 1.00 1.00 C ATOM 432 OG1 THR A 28 -19.836 4.909 24.200 1.00 1.00 O ATOM 433 CG2 THR A 28 -19.378 3.219 22.662 1.00 1.00 C ATOM 0 H THR A 28 -18.321 6.360 24.665 1.00 1.00 H new ATOM 0 HA THR A 28 -17.449 3.721 24.305 1.00 1.00 H new ATOM 0 HB THR A 28 -18.988 5.299 22.259 1.00 1.00 H new ATOM 0 HG1 THR A 28 -20.146 5.836 24.134 1.00 1.00 H new ATOM 0 HG21 THR A 28 -20.376 3.258 22.224 1.00 1.00 H new ATOM 0 HG22 THR A 28 -18.670 2.850 21.920 1.00 1.00 H new ATOM 0 HG23 THR A 28 -19.385 2.548 23.521 1.00 1.00 H new ATOM 441 N ARG A 29 -15.272 4.113 23.073 1.00 1.00 N ATOM 442 CA ARG A 29 -14.122 4.075 22.185 1.00 1.00 C ATOM 443 C ARG A 29 -13.824 2.623 21.806 1.00 1.00 C ATOM 444 O ARG A 29 -14.267 1.721 22.532 1.00 1.00 O ATOM 445 CB ARG A 29 -12.883 4.688 22.840 1.00 1.00 C ATOM 446 CG ARG A 29 -13.069 6.190 23.067 1.00 1.00 C ATOM 447 CD ARG A 29 -13.578 6.877 21.798 1.00 1.00 C ATOM 448 NE ARG A 29 -13.568 8.346 21.979 1.00 1.00 N ATOM 449 CZ ARG A 29 -12.462 9.114 21.874 1.00 1.00 C ATOM 450 NH1 ARG A 29 -11.290 8.530 21.589 1.00 1.00 N ATOM 451 NH2 ARG A 29 -12.536 10.440 22.052 1.00 1.00 N ATOM 0 H ARG A 29 -15.112 3.682 23.983 1.00 1.00 H new ATOM 0 HA ARG A 29 -14.361 4.661 21.297 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -12.689 4.194 23.792 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -12.011 4.517 22.208 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -13.775 6.354 23.882 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -12.122 6.636 23.371 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -12.951 6.603 20.950 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -14.588 6.537 21.571 1.00 1.00 H new ATOM 0 HE ARG A 29 -14.451 8.807 22.197 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -11.243 7.520 21.455 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -10.445 9.096 21.506 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -13.432 10.876 22.269 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -11.696 11.013 21.971 1.00 1.00 H new ATOM 465 N TYR A 30 -13.092 2.430 20.694 1.00 1.00 N ATOM 466 CA TYR A 30 -12.778 1.074 20.277 1.00 1.00 C ATOM 467 C TYR A 30 -11.266 0.856 20.361 1.00 1.00 C ATOM 468 O TYR A 30 -10.529 1.851 20.293 1.00 1.00 O ATOM 469 CB TYR A 30 -13.314 0.828 18.855 1.00 1.00 C ATOM 470 CG TYR A 30 -14.819 1.008 18.708 1.00 1.00 C ATOM 471 CD1 TYR A 30 -15.399 2.294 18.806 1.00 1.00 C ATOM 472 CD2 TYR A 30 -15.646 -0.115 18.477 1.00 1.00 C ATOM 473 CE1 TYR A 30 -16.794 2.455 18.673 1.00 1.00 C ATOM 474 CE2 TYR A 30 -17.041 0.046 18.343 1.00 1.00 C ATOM 475 CZ TYR A 30 -17.617 1.331 18.440 1.00 1.00 C ATOM 476 OH TYR A 30 -18.968 1.483 18.309 1.00 1.00 O ATOM 0 H TYR A 30 -12.725 3.170 20.096 1.00 1.00 H new ATOM 0 HA TYR A 30 -13.261 0.356 20.939 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -12.811 1.508 18.168 1.00 1.00 H new ATOM 0 HB3 TYR A 30 -13.050 -0.185 18.551 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -14.772 3.155 18.983 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -15.208 -1.100 18.403 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -17.233 3.439 18.749 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -17.669 -0.815 18.166 1.00 1.00 H new ATOM 0 HH TYR A 30 -19.353 0.669 17.921 1.00 1.00 H new ATOM 486 N PHE A 31 -10.839 -0.410 20.514 1.00 1.00 N ATOM 487 CA PHE A 31 -9.428 -0.740 20.617 1.00 1.00 C ATOM 488 C PHE A 31 -9.208 -2.175 20.134 1.00 1.00 C ATOM 489 O PHE A 31 -10.035 -3.040 20.456 1.00 1.00 O ATOM 490 CB PHE A 31 -8.975 -0.581 22.082 1.00 1.00 C ATOM 491 CG PHE A 31 -9.229 -1.798 22.961 1.00 1.00 C ATOM 492 CD1 PHE A 31 -10.532 -2.066 23.441 1.00 1.00 C ATOM 493 CD2 PHE A 31 -8.168 -2.671 23.297 1.00 1.00 C ATOM 494 CE1 PHE A 31 -10.771 -3.195 24.253 1.00 1.00 C ATOM 495 CE2 PHE A 31 -8.409 -3.801 24.108 1.00 1.00 C ATOM 496 CZ PHE A 31 -9.710 -4.063 24.587 1.00 1.00 C ATOM 0 H PHE A 31 -11.462 -1.216 20.568 1.00 1.00 H new ATOM 0 HA PHE A 31 -8.838 -0.068 19.994 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.909 -0.356 22.096 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -9.488 0.277 22.516 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -11.347 -1.405 23.185 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -7.171 -2.473 22.932 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -11.767 -3.395 24.619 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -7.597 -4.466 24.362 1.00 1.00 H new ATOM 0 HZ PHE A 31 -9.893 -4.927 25.209 1.00 1.00 H new ATOM 506 N TYR A 32 -8.114 -2.396 19.382 1.00 1.00 N ATOM 507 CA TYR A 32 -7.850 -3.737 18.888 1.00 1.00 C ATOM 508 C TYR A 32 -7.333 -4.606 20.035 1.00 1.00 C ATOM 509 O TYR A 32 -6.238 -4.315 20.539 1.00 1.00 O ATOM 510 CB TYR A 32 -6.850 -3.674 17.719 1.00 1.00 C ATOM 511 CG TYR A 32 -6.860 -4.898 16.813 1.00 1.00 C ATOM 512 CD1 TYR A 32 -7.824 -5.019 15.786 1.00 1.00 C ATOM 513 CD2 TYR A 32 -5.905 -5.924 17.000 1.00 1.00 C ATOM 514 CE1 TYR A 32 -7.831 -6.156 14.950 1.00 1.00 C ATOM 515 CE2 TYR A 32 -5.913 -7.061 16.165 1.00 1.00 C ATOM 516 CZ TYR A 32 -6.875 -7.179 15.139 1.00 1.00 C ATOM 517 OH TYR A 32 -6.878 -8.281 14.332 1.00 1.00 O ATOM 0 H TYR A 32 -7.430 -1.687 19.117 1.00 1.00 H new ATOM 0 HA TYR A 32 -8.768 -4.187 18.511 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -7.068 -2.791 17.118 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -5.846 -3.545 18.123 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -8.557 -4.239 15.641 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -5.168 -5.837 17.784 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -8.568 -6.244 14.165 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -5.182 -7.842 16.311 1.00 1.00 H new ATOM 0 HH TYR A 32 -7.632 -8.859 14.571 1.00 1.00 H new ATOM 527 N ASN A 33 -8.114 -5.628 20.427 1.00 1.00 N ATOM 528 CA ASN A 33 -7.735 -6.516 21.513 1.00 1.00 C ATOM 529 C ASN A 33 -7.199 -7.826 20.932 1.00 1.00 C ATOM 530 O ASN A 33 -7.971 -8.539 20.274 1.00 1.00 O ATOM 531 CB ASN A 33 -8.938 -6.848 22.399 1.00 1.00 C ATOM 532 CG ASN A 33 -8.494 -7.545 23.687 1.00 1.00 C ATOM 533 OD1 ASN A 33 -7.326 -7.825 23.901 1.00 1.00 O ATOM 534 ND2 ASN A 33 -9.489 -7.807 24.529 1.00 1.00 N ATOM 0 H ASN A 33 -9.013 -5.851 19.999 1.00 1.00 H new ATOM 0 HA ASN A 33 -6.975 -6.012 22.111 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -9.478 -5.933 22.644 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -9.630 -7.490 21.854 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -9.297 -8.270 25.417 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -10.445 -7.545 24.287 1.00 1.00 H new ATOM 541 N ASN A 34 -5.909 -8.112 21.182 1.00 1.00 N ATOM 542 CA ASN A 34 -5.279 -9.324 20.687 1.00 1.00 C ATOM 543 C ASN A 34 -5.999 -10.542 21.268 1.00 1.00 C ATOM 544 O ASN A 34 -6.062 -11.573 20.583 1.00 1.00 O ATOM 545 CB ASN A 34 -3.811 -9.395 21.112 1.00 1.00 C ATOM 546 CG ASN A 34 -3.138 -8.026 20.994 1.00 1.00 C ATOM 547 OD1 ASN A 34 -2.896 -7.517 19.912 1.00 1.00 O ATOM 548 ND2 ASN A 34 -2.852 -7.461 22.163 1.00 1.00 N ATOM 0 H ASN A 34 -5.290 -7.511 21.727 1.00 1.00 H new ATOM 0 HA ASN A 34 -5.339 -9.315 19.599 1.00 1.00 H new ATOM 0 HB2 ASN A 34 -3.743 -9.750 22.140 1.00 1.00 H new ATOM 0 HB3 ASN A 34 -3.283 -10.118 20.490 1.00 1.00 H new ATOM 0 HD21 ASN A 34 -2.402 -6.546 22.191 1.00 1.00 H new ATOM 0 HD22 ASN A 34 -3.082 -7.943 23.032 1.00 1.00 H new ATOM 555 N GLN A 35 -6.521 -10.401 22.500 1.00 1.00 N ATOM 556 CA GLN A 35 -7.230 -11.482 23.164 1.00 1.00 C ATOM 557 C GLN A 35 -8.322 -12.017 22.236 1.00 1.00 C ATOM 558 O GLN A 35 -8.648 -13.209 22.334 1.00 1.00 O ATOM 559 CB GLN A 35 -7.819 -11.030 24.501 1.00 1.00 C ATOM 560 CG GLN A 35 -7.607 -12.092 25.582 1.00 1.00 C ATOM 561 CD GLN A 35 -8.875 -12.289 26.414 1.00 1.00 C ATOM 562 OE1 GLN A 35 -9.066 -11.684 27.457 1.00 1.00 O ATOM 563 NE2 GLN A 35 -9.730 -13.167 25.897 1.00 1.00 N ATOM 0 H GLN A 35 -6.459 -9.543 23.047 1.00 1.00 H new ATOM 0 HA GLN A 35 -6.522 -12.281 23.383 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -7.353 -10.094 24.810 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -8.885 -10.832 24.385 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -7.322 -13.036 25.118 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -6.784 -11.795 26.232 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -9.509 -13.639 25.020 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -10.607 -13.369 26.377 1.00 1.00 H new ATOM 572 N THR A 36 -8.857 -11.139 21.368 1.00 1.00 N ATOM 573 CA THR A 36 -9.902 -11.521 20.433 1.00 1.00 C ATOM 574 C THR A 36 -9.470 -11.149 19.013 1.00 1.00 C ATOM 575 O THR A 36 -10.333 -11.113 18.124 1.00 1.00 O ATOM 576 CB THR A 36 -11.210 -10.855 20.864 1.00 1.00 C ATOM 577 OG1 THR A 36 -10.889 -9.468 20.927 1.00 1.00 O ATOM 578 CG2 THR A 36 -11.604 -11.212 22.299 1.00 1.00 C ATOM 0 H THR A 36 -8.574 -10.161 21.304 1.00 1.00 H new ATOM 0 HA THR A 36 -10.069 -12.598 20.436 1.00 1.00 H new ATOM 0 HB THR A 36 -12.009 -11.151 20.184 1.00 1.00 H new ATOM 0 HG1 THR A 36 -11.221 -9.019 20.122 1.00 1.00 H new ATOM 0 HG21 THR A 36 -12.539 -10.713 22.554 1.00 1.00 H new ATOM 0 HG22 THR A 36 -11.733 -12.291 22.383 1.00 1.00 H new ATOM 0 HG23 THR A 36 -10.820 -10.886 22.983 1.00 1.00 H new ATOM 586 N LYS A 37 -8.164 -10.884 18.830 1.00 1.00 N ATOM 587 CA LYS A 37 -7.626 -10.519 17.531 1.00 1.00 C ATOM 588 C LYS A 37 -8.680 -9.729 16.752 1.00 1.00 C ATOM 589 O LYS A 37 -8.927 -10.068 15.585 1.00 1.00 O ATOM 590 CB LYS A 37 -7.119 -11.760 16.794 1.00 1.00 C ATOM 591 CG LYS A 37 -5.917 -12.373 17.516 1.00 1.00 C ATOM 592 CD LYS A 37 -6.242 -13.778 18.026 1.00 1.00 C ATOM 593 CE LYS A 37 -6.079 -14.816 16.914 1.00 1.00 C ATOM 594 NZ LYS A 37 -6.028 -16.174 17.481 1.00 1.00 N ATOM 0 H LYS A 37 -7.469 -10.919 19.576 1.00 1.00 H new ATOM 0 HA LYS A 37 -6.759 -9.868 17.646 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -7.919 -12.497 16.722 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -6.839 -11.493 15.775 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -5.065 -12.416 16.838 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -5.627 -11.737 18.352 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -5.586 -14.027 18.860 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -7.263 -13.804 18.406 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -6.909 -14.739 16.212 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -5.167 -14.616 16.352 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -5.917 -16.867 16.713 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -5.221 -16.248 18.133 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -6.910 -16.368 17.998 1.00 1.00 H new ATOM 608 N GLN A 38 -9.270 -8.709 17.400 1.00 1.00 N ATOM 609 CA GLN A 38 -10.286 -7.882 16.772 1.00 1.00 C ATOM 610 C GLN A 38 -10.544 -6.650 17.643 1.00 1.00 C ATOM 611 O GLN A 38 -10.195 -6.685 18.832 1.00 1.00 O ATOM 612 CB GLN A 38 -11.578 -8.665 16.533 1.00 1.00 C ATOM 613 CG GLN A 38 -12.806 -7.786 16.785 1.00 1.00 C ATOM 614 CD GLN A 38 -14.096 -8.600 16.665 1.00 1.00 C ATOM 615 OE1 GLN A 38 -14.947 -8.343 15.829 1.00 1.00 O ATOM 616 NE2 GLN A 38 -14.193 -9.593 17.545 1.00 1.00 N ATOM 0 H GLN A 38 -9.052 -8.446 18.361 1.00 1.00 H new ATOM 0 HA GLN A 38 -9.923 -7.563 15.795 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -11.597 -9.038 15.509 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -11.608 -9.534 17.190 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -12.743 -7.342 17.779 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -12.822 -6.964 16.069 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -13.443 -9.753 18.218 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -15.017 -10.194 17.547 1.00 1.00 H new ATOM 625 N CYS A 39 -11.140 -5.604 17.044 1.00 1.00 N ATOM 626 CA CYS A 39 -11.440 -4.375 17.759 1.00 1.00 C ATOM 627 C CYS A 39 -12.587 -4.629 18.740 1.00 1.00 C ATOM 628 O CYS A 39 -13.622 -5.161 18.313 1.00 1.00 O ATOM 629 CB CYS A 39 -11.760 -3.236 16.790 1.00 1.00 C ATOM 630 SG CYS A 39 -10.308 -2.438 16.045 1.00 1.00 S ATOM 0 H CYS A 39 -11.420 -5.597 16.063 1.00 1.00 H new ATOM 0 HA CYS A 39 -10.562 -4.063 18.325 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -12.393 -3.624 15.992 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -12.341 -2.480 17.319 1.00 1.00 H new ATOM 636 N GLU A 40 -12.384 -4.250 20.015 1.00 1.00 N ATOM 637 CA GLU A 40 -13.393 -4.435 21.043 1.00 1.00 C ATOM 638 C GLU A 40 -13.825 -3.069 21.580 1.00 1.00 C ATOM 639 O GLU A 40 -12.955 -2.206 21.764 1.00 1.00 O ATOM 640 CB GLU A 40 -12.886 -5.333 22.174 1.00 1.00 C ATOM 641 CG GLU A 40 -12.052 -6.491 21.622 1.00 1.00 C ATOM 642 CD GLU A 40 -12.939 -7.515 20.910 1.00 1.00 C ATOM 643 OE1 GLU A 40 -14.088 -7.717 21.461 1.00 1.00 O ATOM 644 OE2 GLU A 40 -12.534 -8.079 19.883 1.00 1.00 O ATOM 0 H GLU A 40 -11.524 -3.814 20.346 1.00 1.00 H new ATOM 0 HA GLU A 40 -14.254 -4.937 20.601 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -12.285 -4.746 22.868 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -13.732 -5.726 22.738 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -11.305 -6.107 20.928 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -11.512 -6.975 22.436 1.00 1.00 H new ATOM 651 N ARG A 41 -15.139 -2.902 21.816 1.00 1.00 N ATOM 652 CA ARG A 41 -15.677 -1.653 22.326 1.00 1.00 C ATOM 653 C ARG A 41 -15.316 -1.513 23.806 1.00 1.00 C ATOM 654 O ARG A 41 -15.800 -2.323 24.610 1.00 1.00 O ATOM 655 CB ARG A 41 -17.198 -1.590 22.172 1.00 1.00 C ATOM 656 CG ARG A 41 -17.613 -0.397 21.308 1.00 1.00 C ATOM 657 CD ARG A 41 -18.981 -0.634 20.666 1.00 1.00 C ATOM 658 NE ARG A 41 -19.688 0.655 20.490 1.00 1.00 N ATOM 659 CZ ARG A 41 -21.024 0.770 20.333 1.00 1.00 C ATOM 660 NH1 ARG A 41 -21.776 -0.339 20.334 1.00 1.00 N ATOM 661 NH2 ARG A 41 -21.589 1.975 20.180 1.00 1.00 N ATOM 0 H ARG A 41 -15.840 -3.626 21.657 1.00 1.00 H new ATOM 0 HA ARG A 41 -15.242 -0.838 21.748 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -17.560 -2.514 21.721 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -17.664 -1.511 23.154 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -17.646 0.505 21.919 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -16.867 -0.229 20.531 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -18.859 -1.126 19.701 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -19.574 -1.301 21.291 1.00 1.00 H new ATOM 0 HE ARG A 41 -19.131 1.509 20.487 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -21.338 -1.252 20.452 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -22.787 -0.270 20.217 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -21.009 2.814 20.182 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -22.599 2.053 20.062 1.00 1.00 H new ATOM 675 N PHE A 42 -14.485 -0.506 24.131 1.00 1.00 N ATOM 676 CA PHE A 42 -14.065 -0.266 25.501 1.00 1.00 C ATOM 677 C PHE A 42 -14.284 1.208 25.846 1.00 1.00 C ATOM 678 O PHE A 42 -14.325 2.031 24.919 1.00 1.00 O ATOM 679 CB PHE A 42 -12.580 -0.648 25.651 1.00 1.00 C ATOM 680 CG PHE A 42 -11.601 0.480 25.354 1.00 1.00 C ATOM 681 CD1 PHE A 42 -11.415 0.926 24.025 1.00 1.00 C ATOM 682 CD2 PHE A 42 -10.877 1.093 26.403 1.00 1.00 C ATOM 683 CE1 PHE A 42 -10.512 1.974 23.747 1.00 1.00 C ATOM 684 CE2 PHE A 42 -9.974 2.141 26.125 1.00 1.00 C ATOM 685 CZ PHE A 42 -9.791 2.581 24.797 1.00 1.00 C ATOM 0 H PHE A 42 -14.097 0.150 23.453 1.00 1.00 H new ATOM 0 HA PHE A 42 -14.653 -0.875 26.187 1.00 1.00 H new ATOM 0 HB2 PHE A 42 -12.410 -1.000 26.669 1.00 1.00 H new ATOM 0 HB3 PHE A 42 -12.364 -1.483 24.985 1.00 1.00 H new ATOM 0 HD1 PHE A 42 -11.966 0.463 23.220 1.00 1.00 H new ATOM 0 HD2 PHE A 42 -11.016 0.758 27.420 1.00 1.00 H new ATOM 0 HE1 PHE A 42 -10.373 2.311 22.731 1.00 1.00 H new ATOM 0 HE2 PHE A 42 -9.423 2.606 26.929 1.00 1.00 H new ATOM 0 HZ PHE A 42 -9.099 3.382 24.584 1.00 1.00 H new ATOM 695 N LYS A 43 -14.418 1.508 27.150 1.00 1.00 N ATOM 696 CA LYS A 43 -14.631 2.870 27.609 1.00 1.00 C ATOM 697 C LYS A 43 -13.407 3.719 27.257 1.00 1.00 C ATOM 698 O LYS A 43 -12.596 3.271 26.434 1.00 1.00 O ATOM 699 CB LYS A 43 -14.982 2.885 29.098 1.00 1.00 C ATOM 700 CG LYS A 43 -16.415 3.372 29.319 1.00 1.00 C ATOM 701 CD LYS A 43 -17.418 2.234 29.122 1.00 1.00 C ATOM 702 CE LYS A 43 -17.477 1.335 30.359 1.00 1.00 C ATOM 703 NZ LYS A 43 -18.482 0.274 30.178 1.00 1.00 N ATOM 0 H LYS A 43 -14.381 0.815 27.898 1.00 1.00 H new ATOM 0 HA LYS A 43 -15.486 3.315 27.099 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -14.867 1.884 29.512 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -14.287 3.533 29.632 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -16.514 3.778 30.326 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -16.638 4.182 28.625 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -18.407 2.647 28.920 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -17.136 1.642 28.251 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -16.498 0.890 30.540 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -17.723 1.931 31.238 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -18.509 -0.327 31.026 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -19.417 0.704 30.028 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -18.230 -0.305 29.352 1.00 1.00 H new ATOM 717 N TYR A 44 -13.301 4.908 27.878 1.00 1.00 N ATOM 718 CA TYR A 44 -12.164 5.764 27.584 1.00 1.00 C ATOM 719 C TYR A 44 -11.950 6.737 28.745 1.00 1.00 C ATOM 720 O TYR A 44 -11.855 7.945 28.483 1.00 1.00 O ATOM 721 CB TYR A 44 -12.397 6.502 26.253 1.00 1.00 C ATOM 722 CG TYR A 44 -11.382 7.597 25.952 1.00 1.00 C ATOM 723 CD1 TYR A 44 -10.128 7.596 26.604 1.00 1.00 C ATOM 724 CD2 TYR A 44 -11.683 8.614 25.018 1.00 1.00 C ATOM 725 CE1 TYR A 44 -9.183 8.606 26.326 1.00 1.00 C ATOM 726 CE2 TYR A 44 -10.738 9.625 24.740 1.00 1.00 C ATOM 727 CZ TYR A 44 -9.487 9.622 25.394 1.00 1.00 C ATOM 728 OH TYR A 44 -8.570 10.599 25.129 1.00 1.00 O ATOM 0 H TYR A 44 -13.965 5.277 28.558 1.00 1.00 H new ATOM 0 HA TYR A 44 -11.260 5.165 27.474 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -12.380 5.775 25.441 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -13.394 6.942 26.266 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.893 6.820 27.317 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -12.639 8.618 24.515 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -8.226 8.602 26.827 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -10.972 10.401 24.027 1.00 1.00 H new ATOM 0 HH TYR A 44 -8.936 11.219 24.464 1.00 1.00 H new ATOM 789 N ASN A 50 -3.998 7.018 24.434 1.00 1.00 N ATOM 790 CA ASN A 50 -2.998 6.676 23.437 1.00 1.00 C ATOM 791 C ASN A 50 -3.695 6.323 22.122 1.00 1.00 C ATOM 792 O ASN A 50 -4.931 6.406 22.069 1.00 1.00 O ATOM 793 CB ASN A 50 -2.174 5.464 23.876 1.00 1.00 C ATOM 794 CG ASN A 50 -3.083 4.319 24.329 1.00 1.00 C ATOM 795 OD1 ASN A 50 -4.299 4.409 24.301 1.00 1.00 O ATOM 796 ND2 ASN A 50 -2.426 3.241 24.748 1.00 1.00 N ATOM 0 HA ASN A 50 -2.338 7.535 23.313 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -1.545 5.129 23.051 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -1.508 5.748 24.690 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -2.942 2.423 25.072 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -1.406 3.232 24.745 1.00 1.00 H new ATOM 803 N MET A 51 -2.903 5.943 21.104 1.00 1.00 N ATOM 804 CA MET A 51 -3.441 5.582 19.803 1.00 1.00 C ATOM 805 C MET A 51 -4.443 4.438 19.970 1.00 1.00 C ATOM 806 O MET A 51 -5.476 4.455 19.285 1.00 1.00 O ATOM 807 CB MET A 51 -2.315 5.142 18.865 1.00 1.00 C ATOM 808 CG MET A 51 -1.626 6.352 18.230 1.00 1.00 C ATOM 809 SD MET A 51 0.107 5.954 17.855 1.00 1.00 S ATOM 810 CE MET A 51 0.803 5.961 19.533 1.00 1.00 C ATOM 0 H MET A 51 -1.887 5.881 21.169 1.00 1.00 H new ATOM 0 HA MET A 51 -3.939 6.450 19.371 1.00 1.00 H new ATOM 0 HB2 MET A 51 -1.585 4.553 19.419 1.00 1.00 H new ATOM 0 HB3 MET A 51 -2.718 4.497 18.084 1.00 1.00 H new ATOM 0 HG2 MET A 51 -2.147 6.640 17.317 1.00 1.00 H new ATOM 0 HG3 MET A 51 -1.674 7.205 18.907 1.00 1.00 H new ATOM 0 HE1 MET A 51 1.870 6.178 19.483 1.00 1.00 H new ATOM 0 HE2 MET A 51 0.305 6.725 20.130 1.00 1.00 H new ATOM 0 HE3 MET A 51 0.652 4.985 19.993 1.00 1.00 H new ATOM 820 N ASN A 52 -4.123 3.484 20.862 1.00 1.00 N ATOM 821 CA ASN A 52 -4.990 2.344 21.114 1.00 1.00 C ATOM 822 C ASN A 52 -6.244 2.816 21.853 1.00 1.00 C ATOM 823 O ASN A 52 -6.472 2.355 22.980 1.00 1.00 O ATOM 824 CB ASN A 52 -4.289 1.303 21.988 1.00 1.00 C ATOM 825 CG ASN A 52 -5.158 0.055 22.157 1.00 1.00 C ATOM 826 OD1 ASN A 52 -5.999 -0.033 23.036 1.00 1.00 O ATOM 827 ND2 ASN A 52 -4.908 -0.903 21.268 1.00 1.00 N ATOM 0 H ASN A 52 -3.267 3.490 21.416 1.00 1.00 H new ATOM 0 HA ASN A 52 -5.246 1.895 20.154 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -3.335 1.028 21.538 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -4.069 1.732 22.965 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -5.435 -1.776 21.297 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -4.189 -0.764 20.557 1.00 1.00 H new ATOM 834 N ASN A 53 -7.018 3.710 21.213 1.00 1.00 N ATOM 835 CA ASN A 53 -8.236 4.237 21.806 1.00 1.00 C ATOM 836 C ASN A 53 -9.078 4.909 20.719 1.00 1.00 C ATOM 837 O ASN A 53 -9.390 6.100 20.868 1.00 1.00 O ATOM 838 CB ASN A 53 -7.920 5.284 22.875 1.00 1.00 C ATOM 839 CG ASN A 53 -9.201 5.940 23.396 1.00 1.00 C ATOM 840 OD1 ASN A 53 -10.038 5.314 24.025 1.00 1.00 O ATOM 841 ND2 ASN A 53 -9.306 7.232 23.100 1.00 1.00 N ATOM 0 H ASN A 53 -6.812 4.076 20.284 1.00 1.00 H new ATOM 0 HA ASN A 53 -8.775 3.407 22.263 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -7.385 4.815 23.701 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -7.260 6.046 22.459 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -10.124 7.760 23.403 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -8.568 7.695 22.570 1.00 1.00 H new ATOM 848 N PHE A 54 -9.421 4.147 19.666 1.00 1.00 N ATOM 849 CA PHE A 54 -10.219 4.666 18.567 1.00 1.00 C ATOM 850 C PHE A 54 -11.608 5.043 19.085 1.00 1.00 C ATOM 851 O PHE A 54 -11.858 4.866 20.286 1.00 1.00 O ATOM 852 CB PHE A 54 -10.318 3.596 17.463 1.00 1.00 C ATOM 853 CG PHE A 54 -8.981 3.032 17.003 1.00 1.00 C ATOM 854 CD1 PHE A 54 -8.403 1.928 17.672 1.00 1.00 C ATOM 855 CD2 PHE A 54 -8.306 3.615 15.905 1.00 1.00 C ATOM 856 CE1 PHE A 54 -7.161 1.410 17.245 1.00 1.00 C ATOM 857 CE2 PHE A 54 -7.064 3.096 15.479 1.00 1.00 C ATOM 858 CZ PHE A 54 -6.492 1.994 16.149 1.00 1.00 C ATOM 0 H PHE A 54 -9.152 3.169 19.563 1.00 1.00 H new ATOM 0 HA PHE A 54 -9.750 5.557 18.149 1.00 1.00 H new ATOM 0 HB2 PHE A 54 -10.938 2.776 17.825 1.00 1.00 H new ATOM 0 HB3 PHE A 54 -10.831 4.027 16.603 1.00 1.00 H new ATOM 0 HD1 PHE A 54 -8.913 1.480 18.512 1.00 1.00 H new ATOM 0 HD2 PHE A 54 -8.742 4.459 15.391 1.00 1.00 H new ATOM 0 HE1 PHE A 54 -6.723 0.566 17.758 1.00 1.00 H new ATOM 0 HE2 PHE A 54 -6.552 3.543 14.640 1.00 1.00 H new ATOM 0 HZ PHE A 54 -5.542 1.598 15.823 1.00 1.00 H new ATOM 868 N GLU A 55 -12.470 5.548 18.184 1.00 1.00 N ATOM 869 CA GLU A 55 -13.819 5.945 18.548 1.00 1.00 C ATOM 870 C GLU A 55 -14.823 5.174 17.687 1.00 1.00 C ATOM 871 O GLU A 55 -16.023 5.470 17.774 1.00 1.00 O ATOM 872 CB GLU A 55 -14.019 7.455 18.403 1.00 1.00 C ATOM 873 CG GLU A 55 -12.701 8.204 18.605 1.00 1.00 C ATOM 874 CD GLU A 55 -12.918 9.718 18.560 1.00 1.00 C ATOM 875 OE1 GLU A 55 -14.073 10.090 18.122 1.00 1.00 O ATOM 876 OE2 GLU A 55 -12.016 10.485 18.928 1.00 1.00 O ATOM 0 H GLU A 55 -12.244 5.686 17.199 1.00 1.00 H new ATOM 0 HA GLU A 55 -13.983 5.702 19.598 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -14.421 7.679 17.415 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -14.753 7.800 19.131 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -12.263 7.924 19.563 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -11.990 7.912 17.832 1.00 1.00 H new ATOM 883 N THR A 56 -14.320 4.216 16.888 1.00 1.00 N ATOM 884 CA THR A 56 -15.166 3.413 16.022 1.00 1.00 C ATOM 885 C THR A 56 -14.493 2.063 15.768 1.00 1.00 C ATOM 886 O THR A 56 -13.264 1.982 15.905 1.00 1.00 O ATOM 887 CB THR A 56 -15.446 4.203 14.742 1.00 1.00 C ATOM 888 OG1 THR A 56 -14.441 5.214 14.732 1.00 1.00 O ATOM 889 CG2 THR A 56 -16.760 4.984 14.811 1.00 1.00 C ATOM 0 H THR A 56 -13.327 3.988 16.833 1.00 1.00 H new ATOM 0 HA THR A 56 -16.128 3.199 16.488 1.00 1.00 H new ATOM 0 HB THR A 56 -15.474 3.520 13.893 1.00 1.00 H new ATOM 0 HG1 THR A 56 -14.408 5.633 13.847 1.00 1.00 H new ATOM 0 HG21 THR A 56 -16.910 5.527 13.878 1.00 1.00 H new ATOM 0 HG22 THR A 56 -17.587 4.291 14.965 1.00 1.00 H new ATOM 0 HG23 THR A 56 -16.720 5.691 15.639 1.00 1.00 H new ATOM 897 N LEU A 57 -15.298 1.046 15.409 1.00 1.00 N ATOM 898 CA LEU A 57 -14.783 -0.285 15.139 1.00 1.00 C ATOM 899 C LEU A 57 -14.082 -0.291 13.780 1.00 1.00 C ATOM 900 O LEU A 57 -12.933 -0.749 13.711 1.00 1.00 O ATOM 901 CB LEU A 57 -15.899 -1.325 15.260 1.00 1.00 C ATOM 902 CG LEU A 57 -15.452 -2.788 15.293 1.00 1.00 C ATOM 903 CD1 LEU A 57 -15.108 -3.225 16.718 1.00 1.00 C ATOM 904 CD2 LEU A 57 -16.502 -3.697 14.652 1.00 1.00 C ATOM 0 H LEU A 57 -16.309 1.134 15.302 1.00 1.00 H new ATOM 0 HA LEU A 57 -14.037 -0.563 15.883 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -16.464 -1.118 16.169 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -16.583 -1.194 14.422 1.00 1.00 H new ATOM 0 HG LEU A 57 -14.542 -2.880 14.700 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -14.793 -4.269 16.713 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -14.299 -2.604 17.104 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -15.986 -3.114 17.355 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -16.159 -4.731 14.689 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -17.442 -3.607 15.196 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -16.654 -3.402 13.614 1.00 1.00 H new ATOM 916 N GLU A 58 -14.776 0.211 12.742 1.00 1.00 N ATOM 917 CA GLU A 58 -14.224 0.264 11.399 1.00 1.00 C ATOM 918 C GLU A 58 -12.945 1.104 11.411 1.00 1.00 C ATOM 919 O GLU A 58 -12.025 0.789 10.642 1.00 1.00 O ATOM 920 CB GLU A 58 -15.236 0.820 10.396 1.00 1.00 C ATOM 921 CG GLU A 58 -15.167 0.062 9.069 1.00 1.00 C ATOM 922 CD GLU A 58 -16.174 0.623 8.064 1.00 1.00 C ATOM 923 OE1 GLU A 58 -16.152 1.827 7.770 1.00 1.00 O ATOM 924 OE2 GLU A 58 -17.001 -0.241 7.581 1.00 1.00 O ATOM 0 H GLU A 58 -15.722 0.584 12.820 1.00 1.00 H new ATOM 0 HA GLU A 58 -13.986 -0.750 11.079 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -16.242 0.745 10.810 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -15.040 1.878 10.225 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -14.160 0.132 8.658 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -15.369 -0.996 9.239 1.00 1.00 H new ATOM 931 N GLU A 59 -12.913 2.139 12.269 1.00 1.00 N ATOM 932 CA GLU A 59 -11.758 3.014 12.377 1.00 1.00 C ATOM 933 C GLU A 59 -10.612 2.258 13.052 1.00 1.00 C ATOM 934 O GLU A 59 -9.490 2.296 12.527 1.00 1.00 O ATOM 935 CB GLU A 59 -12.093 4.297 13.141 1.00 1.00 C ATOM 936 CG GLU A 59 -11.392 5.505 12.517 1.00 1.00 C ATOM 937 CD GLU A 59 -12.280 6.750 12.588 1.00 1.00 C ATOM 938 OE1 GLU A 59 -13.542 6.529 12.438 1.00 1.00 O ATOM 939 OE2 GLU A 59 -11.770 7.865 12.777 1.00 1.00 O ATOM 0 H GLU A 59 -13.682 2.381 12.894 1.00 1.00 H new ATOM 0 HA GLU A 59 -11.452 3.313 11.374 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -13.171 4.456 13.137 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -11.790 4.194 14.183 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -10.453 5.694 13.037 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -11.144 5.289 11.478 1.00 1.00 H new ATOM 946 N CYS A 60 -10.912 1.596 14.184 1.00 1.00 N ATOM 947 CA CYS A 60 -9.914 0.839 14.921 1.00 1.00 C ATOM 948 C CYS A 60 -9.406 -0.311 14.049 1.00 1.00 C ATOM 949 O CYS A 60 -8.239 -0.698 14.205 1.00 1.00 O ATOM 950 CB CYS A 60 -10.474 0.340 16.254 1.00 1.00 C ATOM 951 SG CYS A 60 -9.492 -0.964 17.053 1.00 1.00 S ATOM 0 H CYS A 60 -11.843 1.577 14.600 1.00 1.00 H new ATOM 0 HA CYS A 60 -9.073 1.489 15.161 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -10.554 1.185 16.938 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -11.484 -0.034 16.090 1.00 1.00 H new ATOM 957 N LYS A 61 -10.278 -0.826 13.163 1.00 1.00 N ATOM 958 CA LYS A 61 -9.919 -1.920 12.277 1.00 1.00 C ATOM 959 C LYS A 61 -9.095 -1.376 11.108 1.00 1.00 C ATOM 960 O LYS A 61 -8.058 -1.974 10.788 1.00 1.00 O ATOM 961 CB LYS A 61 -11.169 -2.689 11.843 1.00 1.00 C ATOM 962 CG LYS A 61 -11.663 -3.608 12.962 1.00 1.00 C ATOM 963 CD LYS A 61 -12.254 -4.898 12.390 1.00 1.00 C ATOM 964 CE LYS A 61 -12.501 -5.926 13.497 1.00 1.00 C ATOM 965 NZ LYS A 61 -11.233 -6.543 13.919 1.00 1.00 N ATOM 0 H LYS A 61 -11.236 -0.493 13.051 1.00 1.00 H new ATOM 0 HA LYS A 61 -9.292 -2.643 12.799 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -11.956 -1.986 11.570 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -10.947 -3.279 10.954 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -10.837 -3.848 13.632 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -12.416 -3.091 13.557 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -13.191 -4.677 11.878 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -11.575 -5.315 11.646 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -12.979 -5.444 14.350 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -13.186 -6.695 13.141 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -11.422 -7.262 14.646 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -10.775 -6.991 13.100 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -10.604 -5.812 14.310 1.00 1.00 H new ATOM 979 N ASN A 62 -9.566 -0.270 10.503 1.00 1.00 N ATOM 980 CA ASN A 62 -8.877 0.346 9.382 1.00 1.00 C ATOM 981 C ASN A 62 -7.413 0.585 9.756 1.00 1.00 C ATOM 982 O ASN A 62 -6.535 0.243 8.951 1.00 1.00 O ATOM 983 CB ASN A 62 -9.502 1.697 9.028 1.00 1.00 C ATOM 984 CG ASN A 62 -9.365 1.989 7.532 1.00 1.00 C ATOM 985 OD1 ASN A 62 -8.463 2.680 7.088 1.00 1.00 O ATOM 986 ND2 ASN A 62 -10.308 1.426 6.782 1.00 1.00 N ATOM 0 H ASN A 62 -10.424 0.207 10.781 1.00 1.00 H new ATOM 0 HA ASN A 62 -8.958 -0.325 8.527 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -10.556 1.699 9.308 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -9.018 2.487 9.602 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -10.304 1.561 5.771 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -11.035 0.859 7.218 1.00 1.00 H new ATOM 993 N ILE A 63 -7.183 1.159 10.951 1.00 1.00 N ATOM 994 CA ILE A 63 -5.839 1.440 11.424 1.00 1.00 C ATOM 995 C ILE A 63 -5.168 0.131 11.848 1.00 1.00 C ATOM 996 O ILE A 63 -4.051 -0.137 11.382 1.00 1.00 O ATOM 997 CB ILE A 63 -5.869 2.500 12.527 1.00 1.00 C ATOM 998 CG1 ILE A 63 -6.085 3.896 11.939 1.00 1.00 C ATOM 999 CG2 ILE A 63 -4.608 2.430 13.390 1.00 1.00 C ATOM 1000 CD1 ILE A 63 -7.573 4.250 11.900 1.00 1.00 C ATOM 0 H ILE A 63 -7.921 1.433 11.599 1.00 1.00 H new ATOM 0 HA ILE A 63 -5.235 1.864 10.622 1.00 1.00 H new ATOM 0 HB ILE A 63 -6.717 2.290 13.179 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -5.548 4.633 12.536 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -5.671 3.938 10.932 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -4.655 3.194 14.166 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.538 1.446 13.853 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.730 2.600 12.766 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -7.699 5.247 11.478 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -8.103 3.525 11.283 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -7.978 4.231 12.912 1.00 1.00 H new ATOM 1012 N CYS A 64 -5.851 -0.644 12.709 1.00 1.00 N ATOM 1013 CA CYS A 64 -5.325 -1.911 13.188 1.00 1.00 C ATOM 1014 C CYS A 64 -5.524 -2.980 12.112 1.00 1.00 C ATOM 1015 O CYS A 64 -4.585 -3.221 11.339 1.00 1.00 O ATOM 1016 CB CYS A 64 -5.972 -2.310 14.516 1.00 1.00 C ATOM 1017 SG CYS A 64 -5.856 -1.058 15.827 1.00 1.00 S ATOM 0 H CYS A 64 -6.770 -0.404 13.082 1.00 1.00 H new ATOM 0 HA CYS A 64 -4.257 -1.809 13.381 1.00 1.00 H new ATOM 0 HB2 CYS A 64 -7.024 -2.534 14.339 1.00 1.00 H new ATOM 0 HB3 CYS A 64 -5.506 -3.230 14.869 1.00 1.00 H new ATOM 0 HG CYS A 64 -4.663 -0.541 15.829 1.00 1.00 H new ATOM 1023 N GLU A 65 -6.722 -3.591 12.083 1.00 1.00 N ATOM 1024 CA GLU A 65 -7.037 -4.624 11.111 1.00 1.00 C ATOM 1025 C GLU A 65 -6.343 -4.300 9.787 1.00 1.00 C ATOM 1026 O GLU A 65 -5.934 -5.240 9.090 1.00 1.00 O ATOM 1027 CB GLU A 65 -8.547 -4.771 10.917 1.00 1.00 C ATOM 1028 CG GLU A 65 -9.104 -5.904 11.781 1.00 1.00 C ATOM 1029 CD GLU A 65 -9.915 -6.890 10.937 1.00 1.00 C ATOM 1030 OE1 GLU A 65 -10.179 -6.623 9.755 1.00 1.00 O ATOM 1031 OE2 GLU A 65 -10.273 -7.967 11.550 1.00 1.00 O ATOM 0 H GLU A 65 -7.482 -3.378 12.729 1.00 1.00 H new ATOM 0 HA GLU A 65 -6.671 -5.580 11.485 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -9.043 -3.835 11.175 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -8.765 -4.969 9.867 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -8.284 -6.429 12.272 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -9.734 -5.490 12.568 1.00 1.00 H new ATOM 1038 N ASP A 66 -6.226 -2.998 9.470 1.00 1.00 N ATOM 1039 CA ASP A 66 -5.587 -2.558 8.242 1.00 1.00 C ATOM 1040 C ASP A 66 -6.658 -2.294 7.182 1.00 1.00 C ATOM 1041 O ASP A 66 -7.792 -2.763 7.359 1.00 1.00 O ATOM 1042 CB ASP A 66 -4.640 -3.630 7.699 1.00 1.00 C ATOM 1043 CG ASP A 66 -5.290 -4.659 6.773 1.00 1.00 C ATOM 1044 OD1 ASP A 66 -6.568 -4.777 6.900 1.00 1.00 O ATOM 1045 OD2 ASP A 66 -4.610 -5.315 5.969 1.00 1.00 O ATOM 0 H ASP A 66 -6.571 -2.239 10.057 1.00 1.00 H new ATOM 0 HA ASP A 66 -5.020 -1.654 8.462 1.00 1.00 H new ATOM 0 HB2 ASP A 66 -3.830 -3.138 7.159 1.00 1.00 H new ATOM 0 HB3 ASP A 66 -4.189 -4.155 8.541 1.00 1.00 H new