USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=15 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 39 CYS SG : rot -78:sc= -15.4! USER MOD Set 1.2: A 60 CYS SG : rot -89:sc= -13! USER MOD Single : A 10 LYS NZ :NH3+ -157:sc= 0.426 (180deg=0.218) USER MOD Single : A 23 CYS SG : rot 31:sc= 0.453 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 165:sc= -1.4! USER MOD Single : A 32 TYR OH : rot -81:sc= 1.1 USER MOD Single : A 33 ASN : amide:sc= 0.019 K(o=0.019,f=-2.3) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.842 F(o=-2.2!,f=-0.84) USER MOD Single : A 35 GLN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= 1.16 F(o=-0.23,f=1.2) 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= -3.42! C(o=-3.4!,f=-8.3!) USER MOD Single : A 51 MET CE :methyl -140:sc= -2.78! (180deg=-5.23!) USER MOD Single : A 52 ASN : amide:sc= -2.96 K(o=-3,f=-6.7!) USER MOD Single : A 53 ASN : amide:sc= -6.59! C(o=-6.6!,f=-8.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.44! USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= -2.63! (180deg=-3.13!) USER MOD Single : A 62 ASN : amide:sc= -0.244 K(o=-0.24,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 17.847 -0.672 -11.693 1.00 1.00 N ATOM 146 CA LYS A 10 18.593 -1.475 -10.738 1.00 1.00 C ATOM 147 C LYS A 10 19.901 -0.761 -10.390 1.00 1.00 C ATOM 148 O LYS A 10 20.436 -0.055 -11.257 1.00 1.00 O ATOM 149 CB LYS A 10 18.791 -2.895 -11.272 1.00 1.00 C ATOM 150 CG LYS A 10 18.016 -3.910 -10.430 1.00 1.00 C ATOM 151 CD LYS A 10 18.807 -5.211 -10.275 1.00 1.00 C ATOM 152 CE LYS A 10 18.094 -6.372 -10.971 1.00 1.00 C ATOM 153 NZ LYS A 10 18.702 -7.656 -10.585 1.00 1.00 N ATOM 0 HA LYS A 10 18.032 -1.583 -9.810 1.00 1.00 H new ATOM 0 HB2 LYS A 10 18.458 -2.947 -12.309 1.00 1.00 H new ATOM 0 HB3 LYS A 10 19.852 -3.146 -11.265 1.00 1.00 H new ATOM 0 HG2 LYS A 10 17.806 -3.488 -9.447 1.00 1.00 H new ATOM 0 HG3 LYS A 10 17.054 -4.118 -10.899 1.00 1.00 H new ATOM 0 HD2 LYS A 10 19.804 -5.087 -10.697 1.00 1.00 H new ATOM 0 HD3 LYS A 10 18.934 -5.440 -9.217 1.00 1.00 H new ATOM 0 HE2 LYS A 10 17.037 -6.369 -10.705 1.00 1.00 H new ATOM 0 HE3 LYS A 10 18.151 -6.246 -12.052 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 18.501 -8.369 -11.315 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 19.731 -7.538 -10.490 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 18.304 -7.969 -9.677 1.00 1.00 H new ATOM 167 N PRO A 11 20.382 -0.956 -9.149 1.00 1.00 N ATOM 168 CA PRO A 11 21.610 -0.352 -8.661 1.00 1.00 C ATOM 169 C PRO A 11 22.833 -0.968 -9.344 1.00 1.00 C ATOM 170 O PRO A 11 23.172 -2.116 -9.023 1.00 1.00 O ATOM 171 CB PRO A 11 21.590 -0.582 -7.158 1.00 1.00 C ATOM 172 CG PRO A 11 20.592 -1.703 -6.921 1.00 1.00 C ATOM 173 CD PRO A 11 19.784 -1.886 -8.195 1.00 1.00 C ATOM 0 HA PRO A 11 21.675 0.712 -8.887 1.00 1.00 H new ATOM 0 HB2 PRO A 11 22.579 -0.856 -6.792 1.00 1.00 H new ATOM 0 HB3 PRO A 11 21.293 0.323 -6.628 1.00 1.00 H new ATOM 0 HG2 PRO A 11 21.110 -2.626 -6.662 1.00 1.00 H new ATOM 0 HG3 PRO A 11 19.936 -1.460 -6.085 1.00 1.00 H new ATOM 0 HD2 PRO A 11 19.840 -2.913 -8.555 1.00 1.00 H new ATOM 0 HD3 PRO A 11 18.730 -1.662 -8.031 1.00 1.00 H new ATOM 181 N ASP A 12 23.460 -0.205 -10.257 1.00 1.00 N ATOM 182 CA ASP A 12 24.633 -0.673 -10.976 1.00 1.00 C ATOM 183 C ASP A 12 25.774 -0.908 -9.985 1.00 1.00 C ATOM 184 O ASP A 12 26.631 -1.759 -10.262 1.00 1.00 O ATOM 185 CB ASP A 12 25.101 0.364 -12.000 1.00 1.00 C ATOM 186 CG ASP A 12 23.997 0.940 -12.888 1.00 1.00 C ATOM 187 OD1 ASP A 12 22.896 0.267 -12.896 1.00 1.00 O ATOM 188 OD2 ASP A 12 24.179 1.979 -13.541 1.00 1.00 O ATOM 0 H ASP A 12 23.164 0.739 -10.507 1.00 1.00 H new ATOM 0 HA ASP A 12 24.366 -1.595 -11.492 1.00 1.00 H new ATOM 0 HB2 ASP A 12 25.584 1.184 -11.469 1.00 1.00 H new ATOM 0 HB3 ASP A 12 25.858 -0.093 -12.638 1.00 1.00 H new ATOM 193 N PHE A 13 25.763 -0.160 -8.867 1.00 1.00 N ATOM 194 CA PHE A 13 26.789 -0.287 -7.846 1.00 1.00 C ATOM 195 C PHE A 13 26.822 -1.729 -7.338 1.00 1.00 C ATOM 196 O PHE A 13 27.876 -2.157 -6.845 1.00 1.00 O ATOM 197 CB PHE A 13 26.485 0.692 -6.695 1.00 1.00 C ATOM 198 CG PHE A 13 25.308 0.291 -5.816 1.00 1.00 C ATOM 199 CD1 PHE A 13 25.402 -0.834 -4.964 1.00 1.00 C ATOM 200 CD2 PHE A 13 24.109 1.040 -5.852 1.00 1.00 C ATOM 201 CE1 PHE A 13 24.308 -1.204 -4.154 1.00 1.00 C ATOM 202 CE2 PHE A 13 23.015 0.669 -5.042 1.00 1.00 C ATOM 203 CZ PHE A 13 23.114 -0.453 -4.192 1.00 1.00 C ATOM 0 H PHE A 13 25.048 0.537 -8.658 1.00 1.00 H new ATOM 0 HA PHE A 13 27.766 -0.043 -8.263 1.00 1.00 H new ATOM 0 HB2 PHE A 13 27.373 0.785 -6.070 1.00 1.00 H new ATOM 0 HB3 PHE A 13 26.288 1.678 -7.116 1.00 1.00 H new ATOM 0 HD1 PHE A 13 26.314 -1.412 -4.933 1.00 1.00 H new ATOM 0 HD2 PHE A 13 24.030 1.899 -6.502 1.00 1.00 H new ATOM 0 HE1 PHE A 13 24.384 -2.063 -3.504 1.00 1.00 H new ATOM 0 HE2 PHE A 13 22.101 1.244 -5.073 1.00 1.00 H new ATOM 0 HZ PHE A 13 22.277 -0.737 -3.571 1.00 1.00 H new ATOM 213 N CYS A 14 25.686 -2.438 -7.464 1.00 1.00 N ATOM 214 CA CYS A 14 25.586 -3.818 -7.021 1.00 1.00 C ATOM 215 C CYS A 14 26.515 -4.690 -7.868 1.00 1.00 C ATOM 216 O CYS A 14 27.122 -5.618 -7.312 1.00 1.00 O ATOM 217 CB CYS A 14 24.138 -4.311 -7.071 1.00 1.00 C ATOM 218 SG CYS A 14 23.126 -3.851 -5.634 1.00 1.00 S ATOM 0 H CYS A 14 24.828 -2.066 -7.872 1.00 1.00 H new ATOM 0 HA CYS A 14 25.902 -3.886 -5.980 1.00 1.00 H new ATOM 0 HB2 CYS A 14 23.666 -3.917 -7.971 1.00 1.00 H new ATOM 0 HB3 CYS A 14 24.142 -5.397 -7.162 1.00 1.00 H new ATOM 224 N PHE A 15 26.608 -4.380 -9.173 1.00 1.00 N ATOM 225 CA PHE A 15 27.455 -5.130 -10.084 1.00 1.00 C ATOM 226 C PHE A 15 28.877 -4.568 -10.031 1.00 1.00 C ATOM 227 O PHE A 15 29.716 -5.008 -10.831 1.00 1.00 O ATOM 228 CB PHE A 15 26.881 -5.030 -11.511 1.00 1.00 C ATOM 229 CG PHE A 15 25.360 -5.065 -11.587 1.00 1.00 C ATOM 230 CD1 PHE A 15 24.645 -6.179 -11.088 1.00 1.00 C ATOM 231 CD2 PHE A 15 24.654 -3.984 -12.164 1.00 1.00 C ATOM 232 CE1 PHE A 15 23.236 -6.210 -11.164 1.00 1.00 C ATOM 233 CE2 PHE A 15 23.246 -4.016 -12.239 1.00 1.00 C ATOM 234 CZ PHE A 15 22.536 -5.128 -11.739 1.00 1.00 C ATOM 0 H PHE A 15 26.101 -3.611 -9.610 1.00 1.00 H new ATOM 0 HA PHE A 15 27.484 -6.180 -9.792 1.00 1.00 H new ATOM 0 HB2 PHE A 15 27.233 -4.104 -11.966 1.00 1.00 H new ATOM 0 HB3 PHE A 15 27.280 -5.850 -12.107 1.00 1.00 H new ATOM 0 HD1 PHE A 15 25.179 -7.008 -10.648 1.00 1.00 H new ATOM 0 HD2 PHE A 15 25.195 -3.132 -12.548 1.00 1.00 H new ATOM 0 HE1 PHE A 15 22.693 -7.062 -10.782 1.00 1.00 H new ATOM 0 HE2 PHE A 15 22.711 -3.188 -12.680 1.00 1.00 H new ATOM 0 HZ PHE A 15 21.458 -5.151 -11.796 1.00 1.00 H new ATOM 244 N LEU A 16 29.116 -3.621 -9.106 1.00 1.00 N ATOM 245 CA LEU A 16 30.424 -3.007 -8.953 1.00 1.00 C ATOM 246 C LEU A 16 31.345 -3.962 -8.192 1.00 1.00 C ATOM 247 O LEU A 16 30.994 -4.352 -7.069 1.00 1.00 O ATOM 248 CB LEU A 16 30.295 -1.628 -8.301 1.00 1.00 C ATOM 249 CG LEU A 16 31.482 -0.682 -8.493 1.00 1.00 C ATOM 250 CD1 LEU A 16 32.455 -0.780 -7.316 1.00 1.00 C ATOM 251 CD2 LEU A 16 32.175 -0.937 -9.832 1.00 1.00 C ATOM 0 H LEU A 16 28.411 -3.271 -8.457 1.00 1.00 H new ATOM 0 HA LEU A 16 30.880 -2.833 -9.928 1.00 1.00 H new ATOM 0 HB2 LEU A 16 29.402 -1.143 -8.696 1.00 1.00 H new ATOM 0 HB3 LEU A 16 30.136 -1.767 -7.232 1.00 1.00 H new ATOM 0 HG LEU A 16 31.105 0.340 -8.516 1.00 1.00 H new ATOM 0 HD11 LEU A 16 33.290 -0.098 -7.476 1.00 1.00 H new ATOM 0 HD12 LEU A 16 31.939 -0.511 -6.394 1.00 1.00 H new ATOM 0 HD13 LEU A 16 32.830 -1.800 -7.238 1.00 1.00 H new ATOM 0 HD21 LEU A 16 33.015 -0.251 -9.943 1.00 1.00 H new ATOM 0 HD22 LEU A 16 32.538 -1.964 -9.864 1.00 1.00 H new ATOM 0 HD23 LEU A 16 31.466 -0.777 -10.645 1.00 1.00 H new ATOM 263 N GLU A 17 32.487 -4.315 -8.809 1.00 1.00 N ATOM 264 CA GLU A 17 33.448 -5.216 -8.194 1.00 1.00 C ATOM 265 C GLU A 17 33.579 -4.878 -6.708 1.00 1.00 C ATOM 266 O GLU A 17 33.621 -3.684 -6.376 1.00 1.00 O ATOM 267 CB GLU A 17 34.807 -5.150 -8.893 1.00 1.00 C ATOM 268 CG GLU A 17 35.066 -3.752 -9.459 1.00 1.00 C ATOM 269 CD GLU A 17 34.767 -3.703 -10.958 1.00 1.00 C ATOM 270 OE1 GLU A 17 35.112 -4.757 -11.618 1.00 1.00 O ATOM 271 OE2 GLU A 17 34.231 -2.699 -11.452 1.00 1.00 O ATOM 0 H GLU A 17 32.757 -3.983 -9.735 1.00 1.00 H new ATOM 0 HA GLU A 17 33.086 -6.239 -8.300 1.00 1.00 H new ATOM 0 HB2 GLU A 17 35.596 -5.412 -8.188 1.00 1.00 H new ATOM 0 HB3 GLU A 17 34.842 -5.884 -9.698 1.00 1.00 H new ATOM 0 HG2 GLU A 17 34.445 -3.024 -8.937 1.00 1.00 H new ATOM 0 HG3 GLU A 17 36.104 -3.471 -9.282 1.00 1.00 H new ATOM 278 N GLU A 18 33.639 -5.918 -5.857 1.00 1.00 N ATOM 279 CA GLU A 18 33.764 -5.732 -4.421 1.00 1.00 C ATOM 280 C GLU A 18 34.999 -4.877 -4.128 1.00 1.00 C ATOM 281 O GLU A 18 35.971 -4.964 -4.891 1.00 1.00 O ATOM 282 CB GLU A 18 33.836 -7.071 -3.685 1.00 1.00 C ATOM 283 CG GLU A 18 35.280 -7.570 -3.595 1.00 1.00 C ATOM 284 CD GLU A 18 35.350 -9.084 -3.802 1.00 1.00 C ATOM 285 OE1 GLU A 18 34.734 -9.785 -2.911 1.00 1.00 O ATOM 286 OE2 GLU A 18 35.969 -9.550 -4.770 1.00 1.00 O ATOM 0 H GLU A 18 33.602 -6.894 -6.151 1.00 1.00 H new ATOM 0 HA GLU A 18 32.875 -5.217 -4.056 1.00 1.00 H new ATOM 0 HB2 GLU A 18 33.422 -6.962 -2.683 1.00 1.00 H new ATOM 0 HB3 GLU A 18 33.224 -7.809 -4.204 1.00 1.00 H new ATOM 0 HG2 GLU A 18 35.890 -7.068 -4.346 1.00 1.00 H new ATOM 0 HG3 GLU A 18 35.698 -7.313 -2.622 1.00 1.00 H new ATOM 293 N ASP A 19 34.937 -4.081 -3.045 1.00 1.00 N ATOM 294 CA ASP A 19 36.042 -3.221 -2.657 1.00 1.00 C ATOM 295 C ASP A 19 36.110 -3.142 -1.130 1.00 1.00 C ATOM 296 O ASP A 19 35.222 -2.517 -0.533 1.00 1.00 O ATOM 297 CB ASP A 19 35.851 -1.802 -3.196 1.00 1.00 C ATOM 298 CG ASP A 19 37.141 -1.002 -3.382 1.00 1.00 C ATOM 299 OD1 ASP A 19 38.046 -1.583 -4.094 1.00 1.00 O ATOM 300 OD2 ASP A 19 37.276 0.121 -2.872 1.00 1.00 O ATOM 0 H ASP A 19 34.126 -4.024 -2.429 1.00 1.00 H new ATOM 0 HA ASP A 19 36.958 -3.643 -3.069 1.00 1.00 H new ATOM 0 HB2 ASP A 19 35.336 -1.860 -4.155 1.00 1.00 H new ATOM 0 HB3 ASP A 19 35.198 -1.256 -2.516 1.00 1.00 H new ATOM 305 N PRO A 20 37.144 -3.767 -0.540 1.00 1.00 N ATOM 306 CA PRO A 20 37.355 -3.787 0.897 1.00 1.00 C ATOM 307 C PRO A 20 38.075 -2.521 1.364 1.00 1.00 C ATOM 308 O PRO A 20 38.838 -2.601 2.338 1.00 1.00 O ATOM 309 CB PRO A 20 38.152 -5.055 1.160 1.00 1.00 C ATOM 310 CG PRO A 20 38.755 -5.452 -0.177 1.00 1.00 C ATOM 311 CD PRO A 20 38.050 -4.655 -1.263 1.00 1.00 C ATOM 0 HA PRO A 20 36.421 -3.795 1.459 1.00 1.00 H new ATOM 0 HB2 PRO A 20 38.930 -4.880 1.903 1.00 1.00 H new ATOM 0 HB3 PRO A 20 37.511 -5.846 1.550 1.00 1.00 H new ATOM 0 HG2 PRO A 20 39.826 -5.248 -0.188 1.00 1.00 H new ATOM 0 HG3 PRO A 20 38.633 -6.521 -0.348 1.00 1.00 H new ATOM 0 HD2 PRO A 20 38.762 -4.090 -1.865 1.00 1.00 H new ATOM 0 HD3 PRO A 20 37.505 -5.309 -1.944 1.00 1.00 H new ATOM 319 N GLY A 21 37.823 -1.395 0.672 1.00 1.00 N ATOM 320 CA GLY A 21 38.443 -0.126 1.013 1.00 1.00 C ATOM 321 C GLY A 21 39.922 -0.356 1.333 1.00 1.00 C ATOM 322 O GLY A 21 40.546 -1.194 0.667 1.00 1.00 O ATOM 0 H GLY A 21 37.191 -1.351 -0.127 1.00 1.00 H new ATOM 0 HA2 GLY A 21 38.343 0.575 0.184 1.00 1.00 H new ATOM 0 HA3 GLY A 21 37.939 0.320 1.870 1.00 1.00 H new ATOM 326 N ILE A 22 40.444 0.381 2.330 1.00 1.00 N ATOM 327 CA ILE A 22 41.835 0.258 2.731 1.00 1.00 C ATOM 328 C ILE A 22 41.917 0.200 4.258 1.00 1.00 C ATOM 329 O ILE A 22 42.400 1.171 4.860 1.00 1.00 O ATOM 330 CB ILE A 22 42.672 1.379 2.113 1.00 1.00 C ATOM 331 CG1 ILE A 22 41.952 2.005 0.916 1.00 1.00 C ATOM 332 CG2 ILE A 22 44.070 0.879 1.743 1.00 1.00 C ATOM 333 CD1 ILE A 22 42.715 3.224 0.394 1.00 1.00 C ATOM 0 H ILE A 22 39.912 1.066 2.867 1.00 1.00 H new ATOM 0 HA ILE A 22 42.260 -0.671 2.352 1.00 1.00 H new ATOM 0 HB ILE A 22 42.797 2.163 2.860 1.00 1.00 H new ATOM 0 HG12 ILE A 22 41.851 1.266 0.121 1.00 1.00 H new ATOM 0 HG13 ILE A 22 40.944 2.300 1.207 1.00 1.00 H new ATOM 0 HG21 ILE A 22 44.645 1.696 1.306 1.00 1.00 H new ATOM 0 HG22 ILE A 22 44.576 0.518 2.638 1.00 1.00 H new ATOM 0 HG23 ILE A 22 43.987 0.067 1.021 1.00 1.00 H new ATOM 0 HD11 ILE A 22 42.182 3.650 -0.456 1.00 1.00 H new ATOM 0 HD12 ILE A 22 42.793 3.970 1.184 1.00 1.00 H new ATOM 0 HD13 ILE A 22 43.714 2.921 0.081 1.00 1.00 H new ATOM 345 N CYS A 23 41.453 -0.918 4.844 1.00 1.00 N ATOM 346 CA CYS A 23 41.474 -1.097 6.286 1.00 1.00 C ATOM 347 C CYS A 23 41.261 -2.576 6.615 1.00 1.00 C ATOM 348 O CYS A 23 40.134 -2.942 6.982 1.00 1.00 O ATOM 349 CB CYS A 23 40.436 -0.205 6.969 1.00 1.00 C ATOM 350 SG CYS A 23 40.935 1.531 7.168 1.00 1.00 S ATOM 0 H CYS A 23 41.060 -1.706 4.330 1.00 1.00 H new ATOM 0 HA CYS A 23 42.447 -0.793 6.673 1.00 1.00 H new ATOM 0 HB2 CYS A 23 39.512 -0.239 6.391 1.00 1.00 H new ATOM 0 HB3 CYS A 23 40.212 -0.619 7.952 1.00 1.00 H new ATOM 0 HG CYS A 23 41.715 1.873 6.186 1.00 1.00 H new ATOM 356 N ARG A 24 42.327 -3.384 6.478 1.00 1.00 N ATOM 357 CA ARG A 24 42.256 -4.808 6.759 1.00 1.00 C ATOM 358 C ARG A 24 41.016 -5.094 7.609 1.00 1.00 C ATOM 359 O ARG A 24 40.217 -5.955 7.213 1.00 1.00 O ATOM 360 CB ARG A 24 43.500 -5.299 7.503 1.00 1.00 C ATOM 361 CG ARG A 24 44.131 -4.170 8.321 1.00 1.00 C ATOM 362 CD ARG A 24 45.396 -3.642 7.643 1.00 1.00 C ATOM 363 NE ARG A 24 46.534 -3.689 8.587 1.00 1.00 N ATOM 364 CZ ARG A 24 47.212 -4.814 8.901 1.00 1.00 C ATOM 365 NH1 ARG A 24 46.847 -5.972 8.332 1.00 1.00 N ATOM 366 NH2 ARG A 24 48.233 -4.774 9.768 1.00 1.00 N ATOM 0 H ARG A 24 43.246 -3.063 6.173 1.00 1.00 H new ATOM 0 HA ARG A 24 42.198 -5.337 5.808 1.00 1.00 H new ATOM 0 HB2 ARG A 24 43.232 -6.124 8.162 1.00 1.00 H new ATOM 0 HB3 ARG A 24 44.227 -5.685 6.788 1.00 1.00 H new ATOM 0 HG2 ARG A 24 43.413 -3.359 8.442 1.00 1.00 H new ATOM 0 HG3 ARG A 24 44.374 -4.532 9.320 1.00 1.00 H new ATOM 0 HD2 ARG A 24 45.621 -4.239 6.759 1.00 1.00 H new ATOM 0 HD3 ARG A 24 45.236 -2.618 7.304 1.00 1.00 H new ATOM 0 HE ARG A 24 46.825 -2.817 9.029 1.00 1.00 H new ATOM 0 HH11 ARG A 24 46.068 -5.994 7.673 1.00 1.00 H new ATOM 0 HH12 ARG A 24 47.348 -6.831 8.558 1.00 1.00 H new ATOM 0 HH21 ARG A 24 48.504 -3.889 10.197 1.00 1.00 H new ATOM 0 HH22 ARG A 24 48.739 -5.629 9.999 1.00 1.00 H new ATOM 380 N GLY A 25 40.883 -4.380 8.740 1.00 1.00 N ATOM 381 CA GLY A 25 39.752 -4.556 9.634 1.00 1.00 C ATOM 382 C GLY A 25 38.612 -5.241 8.877 1.00 1.00 C ATOM 383 O GLY A 25 37.793 -4.530 8.276 1.00 1.00 O ATOM 0 H GLY A 25 41.554 -3.676 9.047 1.00 1.00 H new ATOM 0 HA2 GLY A 25 40.044 -5.156 10.495 1.00 1.00 H new ATOM 0 HA3 GLY A 25 39.422 -3.590 10.016 1.00 1.00 H new ATOM 387 N TYR A 26 38.581 -6.585 8.920 1.00 1.00 N ATOM 388 CA TYR A 26 37.526 -7.295 8.218 1.00 1.00 C ATOM 389 C TYR A 26 36.220 -7.166 9.003 1.00 1.00 C ATOM 390 O TYR A 26 36.284 -7.134 10.241 1.00 1.00 O ATOM 391 CB TYR A 26 37.932 -8.767 8.018 1.00 1.00 C ATOM 392 CG TYR A 26 39.132 -8.973 7.104 1.00 1.00 C ATOM 393 CD1 TYR A 26 39.426 -8.023 6.099 1.00 1.00 C ATOM 394 CD2 TYR A 26 39.961 -10.108 7.256 1.00 1.00 C ATOM 395 CE1 TYR A 26 40.539 -8.208 5.251 1.00 1.00 C ATOM 396 CE2 TYR A 26 41.074 -10.293 6.409 1.00 1.00 C ATOM 397 CZ TYR A 26 41.363 -9.343 5.405 1.00 1.00 C ATOM 398 OH TYR A 26 42.439 -9.519 4.581 1.00 1.00 O ATOM 0 H TYR A 26 39.251 -7.172 9.416 1.00 1.00 H new ATOM 0 HA TYR A 26 37.371 -6.859 7.231 1.00 1.00 H new ATOM 0 HB2 TYR A 26 38.153 -9.205 8.991 1.00 1.00 H new ATOM 0 HB3 TYR A 26 37.082 -9.313 7.609 1.00 1.00 H new ATOM 0 HD1 TYR A 26 38.797 -7.153 5.980 1.00 1.00 H new ATOM 0 HD2 TYR A 26 39.742 -10.836 8.023 1.00 1.00 H new ATOM 0 HE1 TYR A 26 40.760 -7.481 4.484 1.00 1.00 H new ATOM 0 HE2 TYR A 26 41.705 -11.161 6.528 1.00 1.00 H new ATOM 0 HH TYR A 26 42.902 -10.349 4.820 1.00 1.00 H new ATOM 408 N ILE A 27 35.083 -7.084 8.288 1.00 1.00 N ATOM 409 CA ILE A 27 33.783 -6.947 8.921 1.00 1.00 C ATOM 410 C ILE A 27 32.797 -7.918 8.267 1.00 1.00 C ATOM 411 O ILE A 27 31.584 -7.678 8.360 1.00 1.00 O ATOM 412 CB ILE A 27 33.322 -5.488 8.890 1.00 1.00 C ATOM 413 CG1 ILE A 27 34.503 -4.536 9.093 1.00 1.00 C ATOM 414 CG2 ILE A 27 32.206 -5.244 9.907 1.00 1.00 C ATOM 415 CD1 ILE A 27 35.057 -4.056 7.750 1.00 1.00 C ATOM 0 H ILE A 27 35.051 -7.112 7.269 1.00 1.00 H new ATOM 0 HA ILE A 27 33.843 -7.215 9.976 1.00 1.00 H new ATOM 0 HB ILE A 27 32.908 -5.281 7.903 1.00 1.00 H new ATOM 0 HG12 ILE A 27 34.186 -3.679 9.687 1.00 1.00 H new ATOM 0 HG13 ILE A 27 35.289 -5.040 9.655 1.00 1.00 H new ATOM 0 HG21 ILE A 27 31.897 -4.200 9.864 1.00 1.00 H new ATOM 0 HG22 ILE A 27 31.355 -5.884 9.674 1.00 1.00 H new ATOM 0 HG23 ILE A 27 32.570 -5.474 10.908 1.00 1.00 H new ATOM 0 HD11 ILE A 27 35.895 -3.381 7.923 1.00 1.00 H new ATOM 0 HD12 ILE A 27 35.395 -4.914 7.169 1.00 1.00 H new ATOM 0 HD13 ILE A 27 34.275 -3.531 7.201 1.00 1.00 H new ATOM 427 N THR A 28 33.328 -8.977 7.630 1.00 1.00 N ATOM 428 CA THR A 28 32.500 -9.971 6.969 1.00 1.00 C ATOM 429 C THR A 28 31.265 -9.289 6.378 1.00 1.00 C ATOM 430 O THR A 28 30.225 -9.265 7.052 1.00 1.00 O ATOM 431 CB THR A 28 32.163 -11.073 7.976 1.00 1.00 C ATOM 432 OG1 THR A 28 33.432 -11.595 8.359 1.00 1.00 O ATOM 433 CG2 THR A 28 31.452 -12.262 7.326 1.00 1.00 C ATOM 0 H THR A 28 34.330 -9.156 7.566 1.00 1.00 H new ATOM 0 HA THR A 28 33.024 -10.441 6.137 1.00 1.00 H new ATOM 0 HB THR A 28 31.535 -10.662 8.767 1.00 1.00 H new ATOM 0 HG1 THR A 28 33.306 -12.314 9.013 1.00 1.00 H new ATOM 0 HG21 THR A 28 31.236 -13.015 8.084 1.00 1.00 H new ATOM 0 HG22 THR A 28 30.520 -11.925 6.873 1.00 1.00 H new ATOM 0 HG23 THR A 28 32.094 -12.694 6.558 1.00 1.00 H new ATOM 441 N ARG A 29 31.401 -8.757 5.150 1.00 1.00 N ATOM 442 CA ARG A 29 30.304 -8.083 4.477 1.00 1.00 C ATOM 443 C ARG A 29 29.891 -8.892 3.246 1.00 1.00 C ATOM 444 O ARG A 29 30.538 -9.912 2.967 1.00 1.00 O ATOM 445 CB ARG A 29 30.694 -6.668 4.043 1.00 1.00 C ATOM 446 CG ARG A 29 30.833 -5.742 5.252 1.00 1.00 C ATOM 447 CD ARG A 29 29.733 -4.679 5.258 1.00 1.00 C ATOM 448 NE ARG A 29 30.004 -3.676 6.313 1.00 1.00 N ATOM 449 CZ ARG A 29 29.431 -2.455 6.361 1.00 1.00 C ATOM 450 NH1 ARG A 29 28.560 -2.107 5.404 1.00 1.00 N ATOM 451 NH2 ARG A 29 29.729 -1.602 7.351 1.00 1.00 N ATOM 0 H ARG A 29 32.267 -8.787 4.612 1.00 1.00 H new ATOM 0 HA ARG A 29 29.473 -8.006 5.179 1.00 1.00 H new ATOM 0 HB2 ARG A 29 31.635 -6.699 3.494 1.00 1.00 H new ATOM 0 HB3 ARG A 29 29.941 -6.272 3.362 1.00 1.00 H new ATOM 0 HG2 ARG A 29 30.783 -6.327 6.170 1.00 1.00 H new ATOM 0 HG3 ARG A 29 31.810 -5.259 5.234 1.00 1.00 H new ATOM 0 HD2 ARG A 29 29.682 -4.191 4.285 1.00 1.00 H new ATOM 0 HD3 ARG A 29 28.764 -5.147 5.430 1.00 1.00 H new ATOM 0 HE ARG A 29 30.665 -3.923 7.049 1.00 1.00 H new ATOM 0 HH11 ARG A 29 28.339 -2.761 4.653 1.00 1.00 H new ATOM 0 HH12 ARG A 29 28.118 -1.188 5.426 1.00 1.00 H new ATOM 0 HH21 ARG A 29 30.393 -1.874 8.076 1.00 1.00 H new ATOM 0 HH22 ARG A 29 29.291 -0.681 7.380 1.00 1.00 H new ATOM 465 N TYR A 30 28.840 -8.429 2.546 1.00 1.00 N ATOM 466 CA TYR A 30 28.396 -9.154 1.368 1.00 1.00 C ATOM 467 C TYR A 30 28.353 -8.201 0.172 1.00 1.00 C ATOM 468 O TYR A 30 28.329 -6.982 0.400 1.00 1.00 O ATOM 469 CB TYR A 30 27.022 -9.796 1.638 1.00 1.00 C ATOM 470 CG TYR A 30 26.996 -10.758 2.818 1.00 1.00 C ATOM 471 CD1 TYR A 30 27.253 -10.292 4.128 1.00 1.00 C ATOM 472 CD2 TYR A 30 26.719 -12.128 2.606 1.00 1.00 C ATOM 473 CE1 TYR A 30 27.231 -11.188 5.217 1.00 1.00 C ATOM 474 CE2 TYR A 30 26.696 -13.024 3.696 1.00 1.00 C ATOM 475 CZ TYR A 30 26.952 -12.556 5.003 1.00 1.00 C ATOM 476 OH TYR A 30 26.928 -13.427 6.055 1.00 1.00 O ATOM 0 H TYR A 30 28.308 -7.589 2.772 1.00 1.00 H new ATOM 0 HA TYR A 30 29.096 -9.957 1.135 1.00 1.00 H new ATOM 0 HB2 TYR A 30 26.294 -9.005 1.814 1.00 1.00 H new ATOM 0 HB3 TYR A 30 26.702 -10.330 0.743 1.00 1.00 H new ATOM 0 HD1 TYR A 30 27.467 -9.247 4.295 1.00 1.00 H new ATOM 0 HD2 TYR A 30 26.524 -12.490 1.607 1.00 1.00 H new ATOM 0 HE1 TYR A 30 27.428 -10.828 6.216 1.00 1.00 H new ATOM 0 HE2 TYR A 30 26.482 -14.070 3.530 1.00 1.00 H new ATOM 0 HH TYR A 30 26.493 -14.261 5.779 1.00 1.00 H new ATOM 486 N PHE A 31 28.356 -8.757 -1.052 1.00 1.00 N ATOM 487 CA PHE A 31 28.329 -7.954 -2.263 1.00 1.00 C ATOM 488 C PHE A 31 27.754 -8.788 -3.410 1.00 1.00 C ATOM 489 O PHE A 31 27.911 -10.017 -3.382 1.00 1.00 O ATOM 490 CB PHE A 31 29.760 -7.484 -2.592 1.00 1.00 C ATOM 491 CG PHE A 31 30.629 -8.530 -3.277 1.00 1.00 C ATOM 492 CD1 PHE A 31 31.090 -9.654 -2.553 1.00 1.00 C ATOM 493 CD2 PHE A 31 30.977 -8.388 -4.641 1.00 1.00 C ATOM 494 CE1 PHE A 31 31.892 -10.626 -3.187 1.00 1.00 C ATOM 495 CE2 PHE A 31 31.779 -9.361 -5.274 1.00 1.00 C ATOM 496 CZ PHE A 31 32.237 -10.480 -4.547 1.00 1.00 C ATOM 0 H PHE A 31 28.377 -9.763 -1.217 1.00 1.00 H new ATOM 0 HA PHE A 31 27.697 -7.077 -2.120 1.00 1.00 H new ATOM 0 HB2 PHE A 31 29.701 -6.604 -3.232 1.00 1.00 H new ATOM 0 HB3 PHE A 31 30.248 -7.174 -1.668 1.00 1.00 H new ATOM 0 HD1 PHE A 31 30.827 -9.769 -1.512 1.00 1.00 H new ATOM 0 HD2 PHE A 31 30.628 -7.532 -5.199 1.00 1.00 H new ATOM 0 HE1 PHE A 31 32.242 -11.483 -2.631 1.00 1.00 H new ATOM 0 HE2 PHE A 31 32.042 -9.249 -6.315 1.00 1.00 H new ATOM 0 HZ PHE A 31 32.851 -11.224 -5.031 1.00 1.00 H new ATOM 506 N TYR A 32 27.110 -8.114 -4.379 1.00 1.00 N ATOM 507 CA TYR A 32 26.537 -8.848 -5.495 1.00 1.00 C ATOM 508 C TYR A 32 27.625 -9.117 -6.536 1.00 1.00 C ATOM 509 O TYR A 32 27.810 -8.266 -7.419 1.00 1.00 O ATOM 510 CB TYR A 32 25.358 -8.056 -6.089 1.00 1.00 C ATOM 511 CG TYR A 32 24.492 -8.847 -7.061 1.00 1.00 C ATOM 512 CD1 TYR A 32 23.420 -9.637 -6.584 1.00 1.00 C ATOM 513 CD2 TYR A 32 24.762 -8.799 -8.448 1.00 1.00 C ATOM 514 CE1 TYR A 32 22.623 -10.371 -7.488 1.00 1.00 C ATOM 515 CE2 TYR A 32 23.964 -9.532 -9.352 1.00 1.00 C ATOM 516 CZ TYR A 32 22.894 -10.318 -8.873 1.00 1.00 C ATOM 517 OH TYR A 32 22.124 -11.026 -9.752 1.00 1.00 O ATOM 0 H TYR A 32 26.981 -7.102 -4.405 1.00 1.00 H new ATOM 0 HA TYR A 32 26.150 -9.809 -5.155 1.00 1.00 H new ATOM 0 HB2 TYR A 32 24.731 -7.696 -5.273 1.00 1.00 H new ATOM 0 HB3 TYR A 32 25.749 -7.177 -6.602 1.00 1.00 H new ATOM 0 HD1 TYR A 32 23.211 -9.679 -5.525 1.00 1.00 H new ATOM 0 HD2 TYR A 32 25.581 -8.200 -8.817 1.00 1.00 H new ATOM 0 HE1 TYR A 32 21.805 -10.974 -7.121 1.00 1.00 H new ATOM 0 HE2 TYR A 32 24.172 -9.492 -10.411 1.00 1.00 H new ATOM 0 HH TYR A 32 22.418 -11.961 -9.766 1.00 1.00 H new ATOM 527 N ASN A 33 28.317 -10.263 -6.413 1.00 1.00 N ATOM 528 CA ASN A 33 29.382 -10.623 -7.334 1.00 1.00 C ATOM 529 C ASN A 33 28.792 -10.838 -8.729 1.00 1.00 C ATOM 530 O ASN A 33 28.008 -11.783 -8.899 1.00 1.00 O ATOM 531 CB ASN A 33 30.066 -11.922 -6.905 1.00 1.00 C ATOM 532 CG ASN A 33 31.302 -12.201 -7.763 1.00 1.00 C ATOM 533 OD1 ASN A 33 31.811 -11.340 -8.462 1.00 1.00 O ATOM 534 ND2 ASN A 33 31.754 -13.448 -7.672 1.00 1.00 N ATOM 0 H ASN A 33 28.149 -10.951 -5.679 1.00 1.00 H new ATOM 0 HA ASN A 33 30.113 -9.815 -7.337 1.00 1.00 H new ATOM 0 HB2 ASN A 33 30.355 -11.856 -5.856 1.00 1.00 H new ATOM 0 HB3 ASN A 33 29.365 -12.752 -6.991 1.00 1.00 H new ATOM 0 HD21 ASN A 33 32.574 -13.733 -8.207 1.00 1.00 H new ATOM 0 HD22 ASN A 33 31.280 -14.119 -7.067 1.00 1.00 H new ATOM 541 N ASN A 34 29.174 -9.971 -9.685 1.00 1.00 N ATOM 542 CA ASN A 34 28.687 -10.066 -11.050 1.00 1.00 C ATOM 543 C ASN A 34 29.169 -11.380 -11.669 1.00 1.00 C ATOM 544 O ASN A 34 28.424 -11.963 -12.470 1.00 1.00 O ATOM 545 CB ASN A 34 29.220 -8.916 -11.907 1.00 1.00 C ATOM 546 CG ASN A 34 28.886 -9.132 -13.384 1.00 1.00 C ATOM 547 OD1 ASN A 34 29.685 -9.999 -13.998 1.00 1.00 O flip ATOM 548 ND2 ASN A 34 27.963 -8.549 -13.930 1.00 1.00 N flip ATOM 0 H ASN A 34 29.821 -9.199 -9.524 1.00 1.00 H new ATOM 0 HA ASN A 34 27.598 -10.021 -11.023 1.00 1.00 H new ATOM 0 HB2 ASN A 34 28.789 -7.974 -11.567 1.00 1.00 H new ATOM 0 HB3 ASN A 34 30.300 -8.835 -11.783 1.00 1.00 H new ATOM 0 HD21 ASN A 34 27.388 -7.895 -13.399 1.00 1.00 H new ATOM 0 HD22 ASN A 34 27.767 -8.716 -14.917 1.00 1.00 H new ATOM 555 N GLN A 35 30.385 -11.812 -11.292 1.00 1.00 N ATOM 556 CA GLN A 35 30.958 -13.045 -11.807 1.00 1.00 C ATOM 557 C GLN A 35 30.047 -14.218 -11.439 1.00 1.00 C ATOM 558 O GLN A 35 30.131 -15.260 -12.104 1.00 1.00 O ATOM 559 CB GLN A 35 32.377 -13.267 -11.282 1.00 1.00 C ATOM 560 CG GLN A 35 33.374 -13.402 -12.435 1.00 1.00 C ATOM 561 CD GLN A 35 34.815 -13.361 -11.922 1.00 1.00 C ATOM 562 OE1 GLN A 35 35.532 -14.348 -11.928 1.00 1.00 O ATOM 563 NE2 GLN A 35 35.197 -12.167 -11.479 1.00 1.00 N ATOM 0 H GLN A 35 30.983 -11.317 -10.630 1.00 1.00 H new ATOM 0 HA GLN A 35 31.029 -12.971 -12.892 1.00 1.00 H new ATOM 0 HB2 GLN A 35 32.666 -12.433 -10.642 1.00 1.00 H new ATOM 0 HB3 GLN A 35 32.404 -14.166 -10.666 1.00 1.00 H new ATOM 0 HG2 GLN A 35 33.199 -14.339 -12.964 1.00 1.00 H new ATOM 0 HG3 GLN A 35 33.217 -12.597 -13.153 1.00 1.00 H new ATOM 0 HE21 GLN A 35 34.546 -11.382 -11.502 1.00 1.00 H new ATOM 0 HE22 GLN A 35 36.141 -12.036 -11.116 1.00 1.00 H new ATOM 572 N THR A 36 29.209 -14.028 -10.405 1.00 1.00 N ATOM 573 CA THR A 36 28.293 -15.063 -9.956 1.00 1.00 C ATOM 574 C THR A 36 26.876 -14.491 -9.891 1.00 1.00 C ATOM 575 O THR A 36 25.985 -15.179 -9.371 1.00 1.00 O ATOM 576 CB THR A 36 28.790 -15.607 -8.615 1.00 1.00 C ATOM 577 OG1 THR A 36 29.868 -16.470 -8.968 1.00 1.00 O ATOM 578 CG2 THR A 36 27.774 -16.535 -7.947 1.00 1.00 C ATOM 0 H THR A 36 29.156 -13.161 -9.870 1.00 1.00 H new ATOM 0 HA THR A 36 28.260 -15.899 -10.654 1.00 1.00 H new ATOM 0 HB THR A 36 29.016 -14.775 -7.948 1.00 1.00 H new ATOM 0 HG1 THR A 36 30.250 -16.865 -8.157 1.00 1.00 H new ATOM 0 HG21 THR A 36 28.176 -16.893 -6.999 1.00 1.00 H new ATOM 0 HG22 THR A 36 26.848 -15.990 -7.765 1.00 1.00 H new ATOM 0 HG23 THR A 36 27.573 -17.384 -8.600 1.00 1.00 H new ATOM 586 N LYS A 37 26.697 -13.264 -10.412 1.00 1.00 N ATOM 587 CA LYS A 37 25.400 -12.608 -10.413 1.00 1.00 C ATOM 588 C LYS A 37 24.632 -13.005 -9.151 1.00 1.00 C ATOM 589 O LYS A 37 23.451 -13.364 -9.267 1.00 1.00 O ATOM 590 CB LYS A 37 24.649 -12.911 -11.711 1.00 1.00 C ATOM 591 CG LYS A 37 25.202 -12.082 -12.871 1.00 1.00 C ATOM 592 CD LYS A 37 25.703 -12.985 -14.001 1.00 1.00 C ATOM 593 CE LYS A 37 26.604 -14.096 -13.456 1.00 1.00 C ATOM 594 NZ LYS A 37 27.577 -14.517 -14.477 1.00 1.00 N ATOM 0 H LYS A 37 27.444 -12.714 -10.837 1.00 1.00 H new ATOM 0 HA LYS A 37 25.520 -11.525 -10.386 1.00 1.00 H new ATOM 0 HB2 LYS A 37 24.734 -13.972 -11.945 1.00 1.00 H new ATOM 0 HB3 LYS A 37 23.588 -12.697 -11.580 1.00 1.00 H new ATOM 0 HG2 LYS A 37 24.426 -11.417 -13.249 1.00 1.00 H new ATOM 0 HG3 LYS A 37 26.017 -11.452 -12.516 1.00 1.00 H new ATOM 0 HD2 LYS A 37 24.854 -13.424 -14.524 1.00 1.00 H new ATOM 0 HD3 LYS A 37 26.253 -12.390 -14.730 1.00 1.00 H new ATOM 0 HE2 LYS A 37 27.129 -13.744 -12.568 1.00 1.00 H new ATOM 0 HE3 LYS A 37 25.997 -14.948 -13.150 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 28.180 -15.271 -14.091 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 27.071 -14.872 -15.313 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 28.168 -13.706 -14.749 1.00 1.00 H new ATOM 608 N GLN A 38 25.306 -12.936 -7.989 1.00 1.00 N ATOM 609 CA GLN A 38 24.691 -13.285 -6.720 1.00 1.00 C ATOM 610 C GLN A 38 25.473 -12.628 -5.581 1.00 1.00 C ATOM 611 O GLN A 38 26.607 -12.189 -5.820 1.00 1.00 O ATOM 612 CB GLN A 38 24.617 -14.802 -6.530 1.00 1.00 C ATOM 613 CG GLN A 38 23.219 -15.231 -6.080 1.00 1.00 C ATOM 614 CD GLN A 38 22.510 -16.028 -7.177 1.00 1.00 C ATOM 615 OE1 GLN A 38 22.002 -17.184 -6.762 1.00 1.00 O flip ATOM 616 NE2 GLN A 38 22.430 -15.619 -8.323 1.00 1.00 N flip ATOM 0 H GLN A 38 26.279 -12.639 -7.915 1.00 1.00 H new ATOM 0 HA GLN A 38 23.666 -12.913 -6.714 1.00 1.00 H new ATOM 0 HB2 GLN A 38 24.871 -15.302 -7.465 1.00 1.00 H new ATOM 0 HB3 GLN A 38 25.353 -15.116 -5.790 1.00 1.00 H new ATOM 0 HG2 GLN A 38 23.294 -15.836 -5.177 1.00 1.00 H new ATOM 0 HG3 GLN A 38 22.629 -14.351 -5.826 1.00 1.00 H new ATOM 0 HE21 GLN A 38 22.843 -14.721 -8.574 1.00 1.00 H new ATOM 0 HE22 GLN A 38 21.950 -16.175 -9.031 1.00 1.00 H new ATOM 625 N CYS A 39 24.862 -12.573 -4.384 1.00 1.00 N ATOM 626 CA CYS A 39 25.496 -11.975 -3.222 1.00 1.00 C ATOM 627 C CYS A 39 26.500 -12.965 -2.627 1.00 1.00 C ATOM 628 O CYS A 39 26.073 -14.040 -2.181 1.00 1.00 O ATOM 629 CB CYS A 39 24.455 -11.530 -2.192 1.00 1.00 C ATOM 630 SG CYS A 39 23.376 -10.174 -2.737 1.00 1.00 S ATOM 0 H CYS A 39 23.927 -12.940 -4.208 1.00 1.00 H new ATOM 0 HA CYS A 39 26.034 -11.078 -3.528 1.00 1.00 H new ATOM 0 HB2 CYS A 39 23.834 -12.387 -1.930 1.00 1.00 H new ATOM 0 HB3 CYS A 39 24.972 -11.221 -1.283 1.00 1.00 H new ATOM 0 HG CYS A 39 24.015 -9.046 -2.643 1.00 1.00 H new ATOM 636 N GLU A 40 27.792 -12.590 -2.634 1.00 1.00 N ATOM 637 CA GLU A 40 28.842 -13.440 -2.099 1.00 1.00 C ATOM 638 C GLU A 40 29.456 -12.770 -0.868 1.00 1.00 C ATOM 639 O GLU A 40 29.562 -11.535 -0.860 1.00 1.00 O ATOM 640 CB GLU A 40 29.912 -13.740 -3.151 1.00 1.00 C ATOM 641 CG GLU A 40 29.851 -15.204 -3.592 1.00 1.00 C ATOM 642 CD GLU A 40 31.008 -16.006 -2.994 1.00 1.00 C ATOM 643 OE1 GLU A 40 32.109 -15.349 -2.848 1.00 1.00 O ATOM 644 OE2 GLU A 40 30.845 -17.197 -2.690 1.00 1.00 O ATOM 0 H GLU A 40 28.122 -11.700 -3.007 1.00 1.00 H new ATOM 0 HA GLU A 40 28.405 -14.396 -1.809 1.00 1.00 H new ATOM 0 HB2 GLU A 40 29.771 -13.090 -4.015 1.00 1.00 H new ATOM 0 HB3 GLU A 40 30.899 -13.520 -2.744 1.00 1.00 H new ATOM 0 HG2 GLU A 40 28.902 -15.642 -3.282 1.00 1.00 H new ATOM 0 HG3 GLU A 40 29.888 -15.262 -4.680 1.00 1.00 H new ATOM 651 N ARG A 41 29.843 -13.584 0.131 1.00 1.00 N ATOM 652 CA ARG A 41 30.440 -13.073 1.353 1.00 1.00 C ATOM 653 C ARG A 41 31.897 -12.690 1.082 1.00 1.00 C ATOM 654 O ARG A 41 32.690 -13.584 0.753 1.00 1.00 O ATOM 655 CB ARG A 41 30.393 -14.109 2.478 1.00 1.00 C ATOM 656 CG ARG A 41 29.642 -13.563 3.694 1.00 1.00 C ATOM 657 CD ARG A 41 29.031 -14.700 4.517 1.00 1.00 C ATOM 658 NE ARG A 41 29.976 -15.836 4.589 1.00 1.00 N ATOM 659 CZ ARG A 41 29.624 -17.093 4.933 1.00 1.00 C ATOM 660 NH1 ARG A 41 28.343 -17.350 5.232 1.00 1.00 N ATOM 661 NH2 ARG A 41 30.540 -18.070 4.975 1.00 1.00 N ATOM 0 H ARG A 41 29.748 -14.599 0.104 1.00 1.00 H new ATOM 0 HA ARG A 41 29.868 -12.201 1.670 1.00 1.00 H new ATOM 0 HB2 ARG A 41 29.905 -15.016 2.122 1.00 1.00 H new ATOM 0 HB3 ARG A 41 31.407 -14.385 2.766 1.00 1.00 H new ATOM 0 HG2 ARG A 41 30.324 -12.984 4.317 1.00 1.00 H new ATOM 0 HG3 ARG A 41 28.855 -12.884 3.365 1.00 1.00 H new ATOM 0 HD2 ARG A 41 28.796 -14.348 5.521 1.00 1.00 H new ATOM 0 HD3 ARG A 41 28.093 -15.024 4.065 1.00 1.00 H new ATOM 0 HE ARG A 41 30.955 -15.658 4.365 1.00 1.00 H new ATOM 0 HH11 ARG A 41 27.651 -16.601 5.198 1.00 1.00 H new ATOM 0 HH12 ARG A 41 28.060 -18.294 5.494 1.00 1.00 H new ATOM 0 HH21 ARG A 41 31.513 -17.867 4.746 1.00 1.00 H new ATOM 0 HH22 ARG A 41 30.264 -19.017 5.236 1.00 1.00 H new ATOM 675 N PHE A 42 32.214 -11.391 1.224 1.00 1.00 N ATOM 676 CA PHE A 42 33.562 -10.898 0.997 1.00 1.00 C ATOM 677 C PHE A 42 33.996 -10.044 2.189 1.00 1.00 C ATOM 678 O PHE A 42 33.125 -9.429 2.822 1.00 1.00 O ATOM 679 CB PHE A 42 33.588 -10.074 -0.305 1.00 1.00 C ATOM 680 CG PHE A 42 33.199 -8.611 -0.138 1.00 1.00 C ATOM 681 CD1 PHE A 42 31.866 -8.264 0.183 1.00 1.00 C ATOM 682 CD2 PHE A 42 34.167 -7.592 -0.296 1.00 1.00 C ATOM 683 CE1 PHE A 42 31.504 -6.910 0.342 1.00 1.00 C ATOM 684 CE2 PHE A 42 33.804 -6.237 -0.136 1.00 1.00 C ATOM 685 CZ PHE A 42 32.472 -5.896 0.183 1.00 1.00 C ATOM 0 H PHE A 42 31.545 -10.671 1.496 1.00 1.00 H new ATOM 0 HA PHE A 42 34.256 -11.732 0.896 1.00 1.00 H new ATOM 0 HB2 PHE A 42 34.590 -10.123 -0.731 1.00 1.00 H new ATOM 0 HB3 PHE A 42 32.913 -10.536 -1.025 1.00 1.00 H new ATOM 0 HD1 PHE A 42 31.123 -9.038 0.307 1.00 1.00 H new ATOM 0 HD2 PHE A 42 35.187 -7.851 -0.540 1.00 1.00 H new ATOM 0 HE1 PHE A 42 30.485 -6.649 0.586 1.00 1.00 H new ATOM 0 HE2 PHE A 42 34.546 -5.461 -0.258 1.00 1.00 H new ATOM 0 HZ PHE A 42 32.194 -4.860 0.305 1.00 1.00 H new ATOM 695 N LYS A 43 35.312 -10.022 2.467 1.00 1.00 N ATOM 696 CA LYS A 43 35.852 -9.250 3.573 1.00 1.00 C ATOM 697 C LYS A 43 35.737 -7.759 3.253 1.00 1.00 C ATOM 698 O LYS A 43 35.795 -7.404 2.066 1.00 1.00 O ATOM 699 CB LYS A 43 37.278 -9.702 3.894 1.00 1.00 C ATOM 700 CG LYS A 43 37.307 -10.577 5.149 1.00 1.00 C ATOM 701 CD LYS A 43 36.953 -12.028 4.814 1.00 1.00 C ATOM 702 CE LYS A 43 38.133 -12.741 4.152 1.00 1.00 C ATOM 703 NZ LYS A 43 37.735 -14.083 3.698 1.00 1.00 N ATOM 0 H LYS A 43 36.013 -10.535 1.933 1.00 1.00 H new ATOM 0 HA LYS A 43 35.274 -9.427 4.480 1.00 1.00 H new ATOM 0 HB2 LYS A 43 37.686 -10.258 3.050 1.00 1.00 H new ATOM 0 HB3 LYS A 43 37.916 -8.830 4.040 1.00 1.00 H new ATOM 0 HG2 LYS A 43 38.297 -10.536 5.603 1.00 1.00 H new ATOM 0 HG3 LYS A 43 36.603 -10.188 5.885 1.00 1.00 H new ATOM 0 HD2 LYS A 43 36.668 -12.556 5.724 1.00 1.00 H new ATOM 0 HD3 LYS A 43 36.090 -12.051 4.149 1.00 1.00 H new ATOM 0 HE2 LYS A 43 38.491 -12.155 3.305 1.00 1.00 H new ATOM 0 HE3 LYS A 43 38.960 -12.820 4.857 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 38.548 -14.553 3.251 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 37.415 -14.644 4.513 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 36.960 -14.001 3.009 1.00 1.00 H new ATOM 717 N TYR A 44 35.580 -6.928 4.299 1.00 1.00 N ATOM 718 CA TYR A 44 35.460 -5.500 4.062 1.00 1.00 C ATOM 719 C TYR A 44 36.588 -4.769 4.793 1.00 1.00 C ATOM 720 O TYR A 44 36.287 -3.799 5.505 1.00 1.00 O ATOM 721 CB TYR A 44 34.072 -5.011 4.514 1.00 1.00 C ATOM 722 CG TYR A 44 33.913 -3.497 4.539 1.00 1.00 C ATOM 723 CD1 TYR A 44 34.756 -2.684 3.746 1.00 1.00 C ATOM 724 CD2 TYR A 44 32.921 -2.894 5.347 1.00 1.00 C ATOM 725 CE1 TYR A 44 34.611 -1.281 3.764 1.00 1.00 C ATOM 726 CE2 TYR A 44 32.776 -1.491 5.364 1.00 1.00 C ATOM 727 CZ TYR A 44 33.621 -0.683 4.573 1.00 1.00 C ATOM 728 OH TYR A 44 33.485 0.677 4.588 1.00 1.00 O ATOM 0 H TYR A 44 35.536 -7.216 5.276 1.00 1.00 H new ATOM 0 HA TYR A 44 35.553 -5.286 2.997 1.00 1.00 H new ATOM 0 HB2 TYR A 44 33.318 -5.432 3.849 1.00 1.00 H new ATOM 0 HB3 TYR A 44 33.870 -5.401 5.512 1.00 1.00 H new ATOM 0 HD1 TYR A 44 35.513 -3.139 3.125 1.00 1.00 H new ATOM 0 HD2 TYR A 44 32.273 -3.510 5.953 1.00 1.00 H new ATOM 0 HE1 TYR A 44 35.258 -0.664 3.158 1.00 1.00 H new ATOM 0 HE2 TYR A 44 32.018 -1.035 5.983 1.00 1.00 H new ATOM 0 HH TYR A 44 32.757 0.926 5.195 1.00 1.00 H new ATOM 789 N ASN A 50 33.668 0.428 -1.218 1.00 1.00 N ATOM 790 CA ASN A 50 32.776 0.936 -2.247 1.00 1.00 C ATOM 791 C ASN A 50 31.330 0.831 -1.759 1.00 1.00 C ATOM 792 O ASN A 50 31.127 0.625 -0.553 1.00 1.00 O ATOM 793 CB ASN A 50 32.901 0.121 -3.536 1.00 1.00 C ATOM 794 CG ASN A 50 32.340 -1.290 -3.349 1.00 1.00 C ATOM 795 OD1 ASN A 50 31.769 -1.628 -2.326 1.00 1.00 O ATOM 796 ND2 ASN A 50 32.535 -2.092 -4.392 1.00 1.00 N ATOM 0 HA ASN A 50 33.048 1.972 -2.448 1.00 1.00 H new ATOM 0 HB2 ASN A 50 32.367 0.625 -4.342 1.00 1.00 H new ATOM 0 HB3 ASN A 50 33.948 0.063 -3.834 1.00 1.00 H new ATOM 0 HD21 ASN A 50 32.198 -3.054 -4.365 1.00 1.00 H new ATOM 0 HD22 ASN A 50 33.021 -1.745 -5.219 1.00 1.00 H new ATOM 803 N MET A 51 30.369 0.972 -2.690 1.00 1.00 N ATOM 804 CA MET A 51 28.957 0.893 -2.356 1.00 1.00 C ATOM 805 C MET A 51 28.547 -0.576 -2.235 1.00 1.00 C ATOM 806 O MET A 51 27.795 -0.903 -1.305 1.00 1.00 O ATOM 807 CB MET A 51 28.116 1.570 -3.441 1.00 1.00 C ATOM 808 CG MET A 51 28.327 3.086 -3.432 1.00 1.00 C ATOM 809 SD MET A 51 26.761 3.929 -3.059 1.00 1.00 S ATOM 810 CE MET A 51 25.741 3.323 -4.435 1.00 1.00 C ATOM 0 H MET A 51 30.557 1.141 -3.678 1.00 1.00 H new ATOM 0 HA MET A 51 28.787 1.404 -1.408 1.00 1.00 H new ATOM 0 HB2 MET A 51 28.384 1.168 -4.418 1.00 1.00 H new ATOM 0 HB3 MET A 51 27.061 1.345 -3.282 1.00 1.00 H new ATOM 0 HG2 MET A 51 29.079 3.352 -2.689 1.00 1.00 H new ATOM 0 HG3 MET A 51 28.705 3.415 -4.400 1.00 1.00 H new ATOM 0 HE1 MET A 51 25.116 4.134 -4.809 1.00 1.00 H new ATOM 0 HE2 MET A 51 26.387 2.964 -5.236 1.00 1.00 H new ATOM 0 HE3 MET A 51 25.108 2.507 -4.087 1.00 1.00 H new ATOM 820 N ASN A 52 29.040 -1.417 -3.161 1.00 1.00 N ATOM 821 CA ASN A 52 28.727 -2.836 -3.157 1.00 1.00 C ATOM 822 C ASN A 52 29.374 -3.493 -1.937 1.00 1.00 C ATOM 823 O ASN A 52 30.232 -4.369 -2.124 1.00 1.00 O ATOM 824 CB ASN A 52 29.273 -3.524 -4.410 1.00 1.00 C ATOM 825 CG ASN A 52 28.475 -4.789 -4.733 1.00 1.00 C ATOM 826 OD1 ASN A 52 27.287 -4.888 -4.473 1.00 1.00 O ATOM 827 ND2 ASN A 52 29.192 -5.748 -5.312 1.00 1.00 N ATOM 0 H ASN A 52 29.658 -1.127 -3.919 1.00 1.00 H new ATOM 0 HA ASN A 52 27.642 -2.942 -3.131 1.00 1.00 H new ATOM 0 HB2 ASN A 52 29.229 -2.837 -5.255 1.00 1.00 H new ATOM 0 HB3 ASN A 52 30.322 -3.780 -4.261 1.00 1.00 H new ATOM 0 HD21 ASN A 52 28.751 -6.632 -5.566 1.00 1.00 H new ATOM 0 HD22 ASN A 52 30.183 -5.600 -5.502 1.00 1.00 H new ATOM 834 N ASN A 53 28.958 -3.066 -0.731 1.00 1.00 N ATOM 835 CA ASN A 53 29.493 -3.610 0.506 1.00 1.00 C ATOM 836 C ASN A 53 28.374 -3.698 1.545 1.00 1.00 C ATOM 837 O ASN A 53 28.343 -2.853 2.452 1.00 1.00 O ATOM 838 CB ASN A 53 30.594 -2.711 1.071 1.00 1.00 C ATOM 839 CG ASN A 53 30.921 -3.088 2.518 1.00 1.00 C ATOM 840 OD1 ASN A 53 31.444 -4.152 2.806 1.00 1.00 O ATOM 841 ND2 ASN A 53 30.584 -2.160 3.408 1.00 1.00 N ATOM 0 H ASN A 53 28.250 -2.343 -0.599 1.00 1.00 H new ATOM 0 HA ASN A 53 29.907 -4.595 0.291 1.00 1.00 H new ATOM 0 HB2 ASN A 53 31.490 -2.798 0.457 1.00 1.00 H new ATOM 0 HB3 ASN A 53 30.277 -1.669 1.026 1.00 1.00 H new ATOM 0 HD21 ASN A 53 30.760 -2.317 4.400 1.00 1.00 H new ATOM 0 HD22 ASN A 53 30.149 -1.291 3.099 1.00 1.00 H new ATOM 848 N PHE A 54 27.492 -4.703 1.397 1.00 1.00 N ATOM 849 CA PHE A 54 26.384 -4.897 2.316 1.00 1.00 C ATOM 850 C PHE A 54 26.894 -5.585 3.584 1.00 1.00 C ATOM 851 O PHE A 54 28.020 -6.103 3.562 1.00 1.00 O ATOM 852 CB PHE A 54 25.299 -5.749 1.630 1.00 1.00 C ATOM 853 CG PHE A 54 24.755 -5.161 0.335 1.00 1.00 C ATOM 854 CD1 PHE A 54 25.382 -5.450 -0.900 1.00 1.00 C ATOM 855 CD2 PHE A 54 23.621 -4.317 0.361 1.00 1.00 C ATOM 856 CE1 PHE A 54 24.878 -4.900 -2.098 1.00 1.00 C ATOM 857 CE2 PHE A 54 23.118 -3.767 -0.838 1.00 1.00 C ATOM 858 CZ PHE A 54 23.745 -4.060 -2.067 1.00 1.00 C ATOM 0 H PHE A 54 27.536 -5.389 0.643 1.00 1.00 H new ATOM 0 HA PHE A 54 25.951 -3.936 2.592 1.00 1.00 H new ATOM 0 HB2 PHE A 54 25.710 -6.737 1.421 1.00 1.00 H new ATOM 0 HB3 PHE A 54 24.472 -5.889 2.326 1.00 1.00 H new ATOM 0 HD1 PHE A 54 26.249 -6.093 -0.926 1.00 1.00 H new ATOM 0 HD2 PHE A 54 23.138 -4.092 1.301 1.00 1.00 H new ATOM 0 HE1 PHE A 54 25.360 -5.122 -3.039 1.00 1.00 H new ATOM 0 HE2 PHE A 54 22.252 -3.121 -0.814 1.00 1.00 H new ATOM 0 HZ PHE A 54 23.358 -3.641 -2.984 1.00 1.00 H new ATOM 868 N GLU A 55 26.069 -5.578 4.646 1.00 1.00 N ATOM 869 CA GLU A 55 26.434 -6.197 5.909 1.00 1.00 C ATOM 870 C GLU A 55 25.756 -7.565 6.016 1.00 1.00 C ATOM 871 O GLU A 55 26.283 -8.429 6.732 1.00 1.00 O ATOM 872 CB GLU A 55 26.065 -5.308 7.098 1.00 1.00 C ATOM 873 CG GLU A 55 26.377 -3.839 6.802 1.00 1.00 C ATOM 874 CD GLU A 55 26.063 -2.958 8.012 1.00 1.00 C ATOM 875 OE1 GLU A 55 24.885 -2.695 8.300 1.00 1.00 O ATOM 876 OE2 GLU A 55 27.094 -2.541 8.666 1.00 1.00 O ATOM 0 H GLU A 55 25.145 -5.146 4.643 1.00 1.00 H new ATOM 0 HA GLU A 55 27.516 -6.328 5.934 1.00 1.00 H new ATOM 0 HB2 GLU A 55 25.005 -5.420 7.325 1.00 1.00 H new ATOM 0 HB3 GLU A 55 26.616 -5.630 7.982 1.00 1.00 H new ATOM 0 HG2 GLU A 55 27.428 -3.734 6.534 1.00 1.00 H new ATOM 0 HG3 GLU A 55 25.794 -3.505 5.944 1.00 1.00 H new ATOM 883 N THR A 56 24.621 -7.731 5.315 1.00 1.00 N ATOM 884 CA THR A 56 23.882 -8.982 5.332 1.00 1.00 C ATOM 885 C THR A 56 23.609 -9.427 3.894 1.00 1.00 C ATOM 886 O THR A 56 23.414 -8.556 3.033 1.00 1.00 O ATOM 887 CB THR A 56 22.610 -8.787 6.159 1.00 1.00 C ATOM 888 OG1 THR A 56 22.360 -7.386 6.086 1.00 1.00 O ATOM 889 CG2 THR A 56 22.835 -9.048 7.650 1.00 1.00 C ATOM 0 H THR A 56 24.204 -7.006 4.732 1.00 1.00 H new ATOM 0 HA THR A 56 24.456 -9.780 5.802 1.00 1.00 H new ATOM 0 HB THR A 56 21.830 -9.452 5.788 1.00 1.00 H new ATOM 0 HG1 THR A 56 21.550 -7.171 6.595 1.00 1.00 H new ATOM 0 HG21 THR A 56 21.901 -8.896 8.191 1.00 1.00 H new ATOM 0 HG22 THR A 56 23.174 -10.074 7.793 1.00 1.00 H new ATOM 0 HG23 THR A 56 23.591 -8.360 8.030 1.00 1.00 H new ATOM 897 N LEU A 57 23.600 -10.753 3.665 1.00 1.00 N ATOM 898 CA LEU A 57 23.353 -11.305 2.344 1.00 1.00 C ATOM 899 C LEU A 57 21.986 -10.831 1.846 1.00 1.00 C ATOM 900 O LEU A 57 21.917 -10.300 0.728 1.00 1.00 O ATOM 901 CB LEU A 57 23.508 -12.827 2.362 1.00 1.00 C ATOM 902 CG LEU A 57 23.345 -13.533 1.014 1.00 1.00 C ATOM 903 CD1 LEU A 57 24.688 -13.645 0.289 1.00 1.00 C ATOM 904 CD2 LEU A 57 22.673 -14.896 1.187 1.00 1.00 C ATOM 0 H LEU A 57 23.763 -11.454 4.388 1.00 1.00 H new ATOM 0 HA LEU A 57 24.095 -10.941 1.633 1.00 1.00 H new ATOM 0 HB2 LEU A 57 24.494 -13.067 2.759 1.00 1.00 H new ATOM 0 HB3 LEU A 57 22.776 -13.239 3.057 1.00 1.00 H new ATOM 0 HG LEU A 57 22.689 -12.928 0.388 1.00 1.00 H new ATOM 0 HD11 LEU A 57 24.545 -14.150 -0.666 1.00 1.00 H new ATOM 0 HD12 LEU A 57 25.092 -12.648 0.115 1.00 1.00 H new ATOM 0 HD13 LEU A 57 25.385 -14.217 0.901 1.00 1.00 H new ATOM 0 HD21 LEU A 57 22.569 -15.377 0.214 1.00 1.00 H new ATOM 0 HD22 LEU A 57 23.283 -15.522 1.838 1.00 1.00 H new ATOM 0 HD23 LEU A 57 21.687 -14.762 1.632 1.00 1.00 H new ATOM 916 N GLU A 58 20.942 -11.031 2.671 1.00 1.00 N ATOM 917 CA GLU A 58 19.592 -10.627 2.316 1.00 1.00 C ATOM 918 C GLU A 58 19.598 -9.155 1.898 1.00 1.00 C ATOM 919 O GLU A 58 19.068 -8.846 0.820 1.00 1.00 O ATOM 920 CB GLU A 58 18.613 -10.866 3.467 1.00 1.00 C ATOM 921 CG GLU A 58 17.276 -11.399 2.948 1.00 1.00 C ATOM 922 CD GLU A 58 16.292 -11.624 4.097 1.00 1.00 C ATOM 923 OE1 GLU A 58 16.836 -11.835 5.248 1.00 1.00 O ATOM 924 OE2 GLU A 58 15.071 -11.595 3.883 1.00 1.00 O ATOM 0 H GLU A 58 21.020 -11.472 3.587 1.00 1.00 H new ATOM 0 HA GLU A 58 19.253 -11.237 1.479 1.00 1.00 H new ATOM 0 HB2 GLU A 58 19.043 -11.577 4.173 1.00 1.00 H new ATOM 0 HB3 GLU A 58 18.451 -9.935 4.011 1.00 1.00 H new ATOM 0 HG2 GLU A 58 16.852 -10.693 2.234 1.00 1.00 H new ATOM 0 HG3 GLU A 58 17.437 -12.335 2.413 1.00 1.00 H new ATOM 931 N GLU A 59 20.186 -8.291 2.744 1.00 1.00 N ATOM 932 CA GLU A 59 20.258 -6.867 2.464 1.00 1.00 C ATOM 933 C GLU A 59 20.869 -6.655 1.077 1.00 1.00 C ATOM 934 O GLU A 59 20.365 -5.799 0.336 1.00 1.00 O ATOM 935 CB GLU A 59 21.059 -6.123 3.535 1.00 1.00 C ATOM 936 CG GLU A 59 20.399 -4.787 3.884 1.00 1.00 C ATOM 937 CD GLU A 59 20.209 -4.647 5.395 1.00 1.00 C ATOM 938 OE1 GLU A 59 19.101 -5.124 5.852 1.00 1.00 O ATOM 939 OE2 GLU A 59 21.087 -4.106 6.083 1.00 1.00 O ATOM 0 H GLU A 59 20.616 -8.566 3.627 1.00 1.00 H new ATOM 0 HA GLU A 59 19.249 -6.456 2.480 1.00 1.00 H new ATOM 0 HB2 GLU A 59 21.136 -6.740 4.431 1.00 1.00 H new ATOM 0 HB3 GLU A 59 22.075 -5.949 3.179 1.00 1.00 H new ATOM 0 HG2 GLU A 59 21.013 -3.966 3.514 1.00 1.00 H new ATOM 0 HG3 GLU A 59 19.433 -4.713 3.384 1.00 1.00 H new ATOM 946 N CYS A 60 21.925 -7.425 0.760 1.00 1.00 N ATOM 947 CA CYS A 60 22.595 -7.321 -0.525 1.00 1.00 C ATOM 948 C CYS A 60 21.663 -7.835 -1.624 1.00 1.00 C ATOM 949 O CYS A 60 21.792 -7.376 -2.769 1.00 1.00 O ATOM 950 CB CYS A 60 23.930 -8.068 -0.513 1.00 1.00 C ATOM 951 SG CYS A 60 24.687 -8.302 -2.149 1.00 1.00 S ATOM 0 H CYS A 60 22.325 -8.124 1.386 1.00 1.00 H new ATOM 0 HA CYS A 60 22.826 -6.275 -0.728 1.00 1.00 H new ATOM 0 HB2 CYS A 60 24.630 -7.523 0.121 1.00 1.00 H new ATOM 0 HB3 CYS A 60 23.779 -9.045 -0.055 1.00 1.00 H new ATOM 0 HG CYS A 60 24.260 -9.414 -2.670 1.00 1.00 H new ATOM 957 N LYS A 61 20.758 -8.762 -1.262 1.00 1.00 N ATOM 958 CA LYS A 61 19.816 -9.331 -2.211 1.00 1.00 C ATOM 959 C LYS A 61 18.654 -8.356 -2.415 1.00 1.00 C ATOM 960 O LYS A 61 18.357 -8.027 -3.573 1.00 1.00 O ATOM 961 CB LYS A 61 19.377 -10.725 -1.758 1.00 1.00 C ATOM 962 CG LYS A 61 20.544 -11.491 -1.131 1.00 1.00 C ATOM 963 CD LYS A 61 20.661 -12.895 -1.726 1.00 1.00 C ATOM 964 CE LYS A 61 21.258 -12.846 -3.134 1.00 1.00 C ATOM 965 NZ LYS A 61 20.557 -13.785 -4.025 1.00 1.00 N ATOM 0 H LYS A 61 20.668 -9.126 -0.314 1.00 1.00 H new ATOM 0 HA LYS A 61 20.290 -9.471 -3.183 1.00 1.00 H new ATOM 0 HB2 LYS A 61 18.565 -10.638 -1.036 1.00 1.00 H new ATOM 0 HB3 LYS A 61 18.988 -11.282 -2.610 1.00 1.00 H new ATOM 0 HG2 LYS A 61 21.473 -10.944 -1.295 1.00 1.00 H new ATOM 0 HG3 LYS A 61 20.401 -11.560 -0.053 1.00 1.00 H new ATOM 0 HD2 LYS A 61 21.286 -13.515 -1.084 1.00 1.00 H new ATOM 0 HD3 LYS A 61 19.677 -13.362 -1.760 1.00 1.00 H new ATOM 0 HE2 LYS A 61 21.184 -11.834 -3.532 1.00 1.00 H new ATOM 0 HE3 LYS A 61 22.318 -13.096 -3.095 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 20.905 -13.666 -4.998 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 20.734 -14.760 -3.710 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 19.535 -13.593 -3.997 1.00 1.00 H new ATOM 979 N ASN A 62 18.030 -7.922 -1.306 1.00 1.00 N ATOM 980 CA ASN A 62 16.912 -6.996 -1.364 1.00 1.00 C ATOM 981 C ASN A 62 17.307 -5.778 -2.203 1.00 1.00 C ATOM 982 O ASN A 62 16.475 -5.312 -2.993 1.00 1.00 O ATOM 983 CB ASN A 62 16.532 -6.503 0.034 1.00 1.00 C ATOM 984 CG ASN A 62 15.019 -6.584 0.251 1.00 1.00 C ATOM 985 OD1 ASN A 62 14.243 -6.767 -0.672 1.00 1.00 O ATOM 986 ND2 ASN A 62 14.647 -6.436 1.519 1.00 1.00 N ATOM 0 H ASN A 62 18.290 -8.205 -0.361 1.00 1.00 H new ATOM 0 HA ASN A 62 16.064 -7.519 -1.805 1.00 1.00 H new ATOM 0 HB2 ASN A 62 17.044 -7.103 0.787 1.00 1.00 H new ATOM 0 HB3 ASN A 62 16.867 -5.474 0.164 1.00 1.00 H new ATOM 0 HD21 ASN A 62 13.659 -6.473 1.768 1.00 1.00 H new ATOM 0 HD22 ASN A 62 15.350 -6.286 2.243 1.00 1.00 H new ATOM 993 N ILE A 63 18.549 -5.297 -2.017 1.00 1.00 N ATOM 994 CA ILE A 63 19.047 -4.146 -2.752 1.00 1.00 C ATOM 995 C ILE A 63 19.412 -4.574 -4.175 1.00 1.00 C ATOM 996 O ILE A 63 18.890 -3.970 -5.124 1.00 1.00 O ATOM 997 CB ILE A 63 20.199 -3.484 -1.994 1.00 1.00 C ATOM 998 CG1 ILE A 63 19.679 -2.664 -0.812 1.00 1.00 C ATOM 999 CG2 ILE A 63 21.065 -2.645 -2.936 1.00 1.00 C ATOM 1000 CD1 ILE A 63 18.909 -1.433 -1.295 1.00 1.00 C ATOM 0 H ILE A 63 19.219 -5.696 -1.360 1.00 1.00 H new ATOM 0 HA ILE A 63 18.272 -3.384 -2.837 1.00 1.00 H new ATOM 0 HB ILE A 63 20.835 -4.270 -1.586 1.00 1.00 H new ATOM 0 HG12 ILE A 63 19.030 -3.283 -0.193 1.00 1.00 H new ATOM 0 HG13 ILE A 63 20.515 -2.352 -0.186 1.00 1.00 H new ATOM 0 HG21 ILE A 63 21.876 -2.185 -2.372 1.00 1.00 H new ATOM 0 HG22 ILE A 63 21.481 -3.285 -3.714 1.00 1.00 H new ATOM 0 HG23 ILE A 63 20.455 -1.866 -3.394 1.00 1.00 H new ATOM 0 HD11 ILE A 63 18.550 -0.868 -0.435 1.00 1.00 H new ATOM 0 HD12 ILE A 63 19.567 -0.804 -1.894 1.00 1.00 H new ATOM 0 HD13 ILE A 63 18.060 -1.750 -1.901 1.00 1.00 H new ATOM 1012 N CYS A 64 20.286 -5.589 -4.293 1.00 1.00 N ATOM 1013 CA CYS A 64 20.714 -6.089 -5.588 1.00 1.00 C ATOM 1014 C CYS A 64 19.631 -7.009 -6.158 1.00 1.00 C ATOM 1015 O CYS A 64 18.752 -6.510 -6.875 1.00 1.00 O ATOM 1016 CB CYS A 64 22.067 -6.796 -5.487 1.00 1.00 C ATOM 1017 SG CYS A 64 23.390 -5.804 -4.734 1.00 1.00 S ATOM 0 H CYS A 64 20.704 -6.073 -3.498 1.00 1.00 H new ATOM 0 HA CYS A 64 20.851 -5.250 -6.271 1.00 1.00 H new ATOM 0 HB2 CYS A 64 21.941 -7.710 -4.906 1.00 1.00 H new ATOM 0 HB3 CYS A 64 22.381 -7.095 -6.487 1.00 1.00 H new ATOM 1023 N GLU A 65 19.715 -8.311 -5.834 1.00 1.00 N ATOM 1024 CA GLU A 65 18.750 -9.287 -6.310 1.00 1.00 C ATOM 1025 C GLU A 65 17.382 -8.617 -6.453 1.00 1.00 C ATOM 1026 O GLU A 65 16.645 -8.973 -7.384 1.00 1.00 O ATOM 1027 CB GLU A 65 18.672 -10.500 -5.381 1.00 1.00 C ATOM 1028 CG GLU A 65 19.477 -11.674 -5.943 1.00 1.00 C ATOM 1029 CD GLU A 65 18.587 -12.902 -6.144 1.00 1.00 C ATOM 1030 OE1 GLU A 65 17.733 -13.118 -5.201 1.00 1.00 O ATOM 1031 OE2 GLU A 65 18.720 -13.605 -7.157 1.00 1.00 O ATOM 0 H GLU A 65 20.448 -8.701 -5.242 1.00 1.00 H new ATOM 0 HA GLU A 65 19.075 -9.654 -7.284 1.00 1.00 H new ATOM 0 HB2 GLU A 65 19.052 -10.233 -4.395 1.00 1.00 H new ATOM 0 HB3 GLU A 65 17.631 -10.797 -5.251 1.00 1.00 H new ATOM 0 HG2 GLU A 65 19.929 -11.388 -6.893 1.00 1.00 H new ATOM 0 HG3 GLU A 65 20.293 -11.919 -5.263 1.00 1.00 H new ATOM 1038 N ASP A 66 17.074 -7.676 -5.542 1.00 1.00 N ATOM 1039 CA ASP A 66 15.807 -6.966 -5.567 1.00 1.00 C ATOM 1040 C ASP A 66 14.666 -7.972 -5.731 1.00 1.00 C ATOM 1041 O ASP A 66 14.381 -8.360 -6.873 1.00 1.00 O ATOM 1042 CB ASP A 66 15.747 -5.988 -6.742 1.00 1.00 C ATOM 1043 CG ASP A 66 15.852 -6.632 -8.125 1.00 1.00 C ATOM 1044 OD1 ASP A 66 17.055 -6.858 -8.532 1.00 1.00 O ATOM 1045 OD2 ASP A 66 14.835 -6.905 -8.782 1.00 1.00 O ATOM 0 H ASP A 66 17.695 -7.398 -4.782 1.00 1.00 H new ATOM 0 HA ASP A 66 15.712 -6.414 -4.632 1.00 1.00 H new ATOM 0 HB2 ASP A 66 14.810 -5.434 -6.686 1.00 1.00 H new ATOM 0 HB3 ASP A 66 16.554 -5.263 -6.633 1.00 1.00 H new