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 -103:sc= -11.9! USER MOD Set 1.2: A 64 CYS SG : rot -64:sc= -18.7! USER MOD Set 2.1: A 38 GLN : amide:sc= 0.488 K(o=-1.7,f=-8.4!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -140:sc= -2.17 (180deg=-2.71) USER MOD Single : A 10 LYS NZ :NH3+ -123:sc= 0.752 (180deg=-0.305) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.111 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 150:sc= -0.726 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.3) USER MOD Single : A 34 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.4!) USER MOD Single : A 35 GLN : amide:sc= -0.612 X(o=-0.61,f=-0.51) USER MOD Single : A 36 THR OG1 : rot 138:sc= 1.26 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=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= -10.7! C(o=-11!,f=-16!) USER MOD Single : A 51 MET CE :methyl 157:sc= -1.1 (180deg=-1.65) USER MOD Single : A 52 ASN : amide:sc= -4.27! C(o=-4.3!,f=-14!) USER MOD Single : A 53 ASN : amide:sc= -2.57! C(o=-2.6!,f=-3!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.39! USER MOD Single : A 62 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 -14.644 -0.384 -2.238 1.00 1.00 N ATOM 146 CA LYS A 10 -14.821 -1.649 -2.931 1.00 1.00 C ATOM 147 C LYS A 10 -15.588 -2.617 -2.027 1.00 1.00 C ATOM 148 O LYS A 10 -15.439 -2.522 -0.800 1.00 1.00 O ATOM 149 CB LYS A 10 -13.473 -2.191 -3.408 1.00 1.00 C ATOM 150 CG LYS A 10 -13.480 -2.426 -4.920 1.00 1.00 C ATOM 151 CD LYS A 10 -12.813 -3.757 -5.272 1.00 1.00 C ATOM 152 CE LYS A 10 -11.302 -3.586 -5.440 1.00 1.00 C ATOM 153 NZ LYS A 10 -11.002 -2.866 -6.689 1.00 1.00 N ATOM 0 HA LYS A 10 -15.419 -1.510 -3.831 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -12.682 -1.487 -3.150 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -13.250 -3.125 -2.892 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -14.506 -2.421 -5.287 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -12.958 -1.610 -5.421 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -13.015 -4.487 -4.489 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -13.243 -4.151 -6.193 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -10.895 -3.038 -4.590 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -10.818 -4.563 -5.451 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -10.373 -3.445 -7.281 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -11.887 -2.679 -7.203 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -10.534 -1.964 -6.466 1.00 1.00 H new ATOM 167 N PRO A 11 -16.380 -3.514 -2.640 1.00 1.00 N ATOM 168 CA PRO A 11 -17.174 -4.502 -1.929 1.00 1.00 C ATOM 169 C PRO A 11 -16.284 -5.587 -1.322 1.00 1.00 C ATOM 170 O PRO A 11 -15.784 -6.432 -2.080 1.00 1.00 O ATOM 171 CB PRO A 11 -18.149 -5.042 -2.964 1.00 1.00 C ATOM 172 CG PRO A 11 -17.562 -4.679 -4.318 1.00 1.00 C ATOM 173 CD PRO A 11 -16.466 -3.650 -4.091 1.00 1.00 C ATOM 0 HA PRO A 11 -17.710 -4.079 -1.079 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -18.265 -6.121 -2.865 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -19.138 -4.602 -2.836 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -17.158 -5.565 -4.809 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -18.334 -4.276 -4.973 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -15.518 -3.981 -4.515 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -16.711 -2.699 -4.564 1.00 1.00 H new ATOM 181 N ASP A 12 -16.105 -5.545 0.010 1.00 1.00 N ATOM 182 CA ASP A 12 -15.283 -6.518 0.708 1.00 1.00 C ATOM 183 C ASP A 12 -15.895 -7.910 0.541 1.00 1.00 C ATOM 184 O ASP A 12 -15.135 -8.889 0.506 1.00 1.00 O ATOM 185 CB ASP A 12 -15.214 -6.208 2.205 1.00 1.00 C ATOM 186 CG ASP A 12 -14.581 -7.305 3.064 1.00 1.00 C ATOM 187 OD1 ASP A 12 -13.907 -8.210 2.549 1.00 1.00 O ATOM 188 OD2 ASP A 12 -14.805 -7.204 4.330 1.00 1.00 O ATOM 0 H ASP A 12 -16.525 -4.840 0.616 1.00 1.00 H new ATOM 0 HA ASP A 12 -14.279 -6.477 0.285 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -14.648 -5.287 2.344 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -16.224 -6.020 2.569 1.00 1.00 H new ATOM 193 N PHE A 13 -17.235 -7.971 0.443 1.00 1.00 N ATOM 194 CA PHE A 13 -17.939 -9.232 0.282 1.00 1.00 C ATOM 195 C PHE A 13 -17.381 -9.970 -0.937 1.00 1.00 C ATOM 196 O PHE A 13 -17.464 -11.207 -0.966 1.00 1.00 O ATOM 197 CB PHE A 13 -19.445 -8.954 0.110 1.00 1.00 C ATOM 198 CG PHE A 13 -19.831 -8.354 -1.235 1.00 1.00 C ATOM 199 CD1 PHE A 13 -19.786 -9.143 -2.409 1.00 1.00 C ATOM 200 CD2 PHE A 13 -20.231 -7.000 -1.319 1.00 1.00 C ATOM 201 CE1 PHE A 13 -20.140 -8.582 -3.654 1.00 1.00 C ATOM 202 CE2 PHE A 13 -20.585 -6.441 -2.565 1.00 1.00 C ATOM 203 CZ PHE A 13 -20.540 -7.231 -3.733 1.00 1.00 C ATOM 0 H PHE A 13 -17.843 -7.153 0.474 1.00 1.00 H new ATOM 0 HA PHE A 13 -17.797 -9.858 1.163 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -19.991 -9.888 0.246 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -19.768 -8.277 0.901 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -19.480 -10.177 -2.352 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -20.266 -6.392 -0.427 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -20.105 -9.187 -4.548 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -20.891 -5.407 -2.625 1.00 1.00 H new ATOM 0 HZ PHE A 13 -20.811 -6.802 -4.686 1.00 1.00 H new ATOM 213 N CYS A 14 -16.833 -9.210 -1.902 1.00 1.00 N ATOM 214 CA CYS A 14 -16.268 -9.789 -3.109 1.00 1.00 C ATOM 215 C CYS A 14 -15.032 -10.613 -2.744 1.00 1.00 C ATOM 216 O CYS A 14 -14.851 -11.693 -3.326 1.00 1.00 O ATOM 217 CB CYS A 14 -15.947 -8.706 -4.142 1.00 1.00 C ATOM 218 SG CYS A 14 -17.387 -8.058 -5.040 1.00 1.00 S ATOM 0 H CYS A 14 -16.775 -8.193 -1.858 1.00 1.00 H new ATOM 0 HA CYS A 14 -17.002 -10.451 -3.569 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -15.449 -7.878 -3.637 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -15.238 -9.111 -4.864 1.00 1.00 H new ATOM 0 HG CYS A 14 -17.426 -8.578 -6.231 1.00 1.00 H new ATOM 224 N PHE A 15 -14.220 -10.098 -1.804 1.00 1.00 N ATOM 225 CA PHE A 15 -13.015 -10.783 -1.368 1.00 1.00 C ATOM 226 C PHE A 15 -13.395 -11.926 -0.425 1.00 1.00 C ATOM 227 O PHE A 15 -12.491 -12.642 0.029 1.00 1.00 O ATOM 228 CB PHE A 15 -12.087 -9.776 -0.661 1.00 1.00 C ATOM 229 CG PHE A 15 -11.926 -8.445 -1.383 1.00 1.00 C ATOM 230 CD1 PHE A 15 -11.556 -8.412 -2.748 1.00 1.00 C ATOM 231 CD2 PHE A 15 -12.139 -7.232 -0.688 1.00 1.00 C ATOM 232 CE1 PHE A 15 -11.403 -7.177 -3.412 1.00 1.00 C ATOM 233 CE2 PHE A 15 -11.987 -5.997 -1.354 1.00 1.00 C ATOM 234 CZ PHE A 15 -11.619 -5.969 -2.716 1.00 1.00 C ATOM 0 H PHE A 15 -14.387 -9.207 -1.337 1.00 1.00 H new ATOM 0 HA PHE A 15 -12.489 -11.201 -2.226 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -12.474 -9.586 0.340 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -11.104 -10.231 -0.542 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -11.390 -9.335 -3.283 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -12.419 -7.251 0.355 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -11.120 -7.156 -4.454 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -12.152 -5.073 -0.821 1.00 1.00 H new ATOM 0 HZ PHE A 15 -11.503 -5.024 -3.225 1.00 1.00 H new ATOM 244 N LEU A 16 -14.705 -12.072 -0.154 1.00 1.00 N ATOM 245 CA LEU A 16 -15.196 -13.118 0.726 1.00 1.00 C ATOM 246 C LEU A 16 -15.109 -14.466 0.008 1.00 1.00 C ATOM 247 O LEU A 16 -15.624 -14.571 -1.115 1.00 1.00 O ATOM 248 CB LEU A 16 -16.601 -12.779 1.229 1.00 1.00 C ATOM 249 CG LEU A 16 -16.869 -13.057 2.709 1.00 1.00 C ATOM 250 CD1 LEU A 16 -17.276 -11.777 3.442 1.00 1.00 C ATOM 251 CD2 LEU A 16 -17.907 -14.168 2.880 1.00 1.00 C ATOM 0 H LEU A 16 -15.434 -11.471 -0.539 1.00 1.00 H new ATOM 0 HA LEU A 16 -14.572 -13.190 1.617 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -16.788 -11.722 1.039 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -17.323 -13.342 0.638 1.00 1.00 H new ATOM 0 HG LEU A 16 -15.943 -13.409 3.163 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -17.461 -12.002 4.492 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -16.474 -11.043 3.364 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -18.183 -11.373 2.993 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -18.079 -14.345 3.942 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -18.842 -13.868 2.406 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -17.541 -15.083 2.414 1.00 1.00 H new ATOM 263 N GLU A 17 -14.469 -15.454 0.658 1.00 1.00 N ATOM 264 CA GLU A 17 -14.317 -16.781 0.085 1.00 1.00 C ATOM 265 C GLU A 17 -15.667 -17.256 -0.456 1.00 1.00 C ATOM 266 O GLU A 17 -16.696 -16.917 0.148 1.00 1.00 O ATOM 267 CB GLU A 17 -13.756 -17.773 1.105 1.00 1.00 C ATOM 268 CG GLU A 17 -12.636 -17.136 1.931 1.00 1.00 C ATOM 269 CD GLU A 17 -11.672 -18.200 2.460 1.00 1.00 C ATOM 270 OE1 GLU A 17 -11.715 -19.354 2.010 1.00 1.00 O ATOM 271 OE2 GLU A 17 -10.856 -17.791 3.371 1.00 1.00 O ATOM 0 H GLU A 17 -14.052 -15.347 1.582 1.00 1.00 H new ATOM 0 HA GLU A 17 -13.599 -16.728 -0.734 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -14.554 -18.110 1.767 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -13.376 -18.655 0.589 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -12.091 -16.418 1.318 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -13.065 -16.582 2.766 1.00 1.00 H new ATOM 278 N GLU A 18 -15.638 -18.017 -1.564 1.00 1.00 N ATOM 279 CA GLU A 18 -16.851 -18.531 -2.177 1.00 1.00 C ATOM 280 C GLU A 18 -17.643 -19.330 -1.140 1.00 1.00 C ATOM 281 O GLU A 18 -17.026 -20.108 -0.398 1.00 1.00 O ATOM 282 CB GLU A 18 -16.540 -19.387 -3.407 1.00 1.00 C ATOM 283 CG GLU A 18 -16.313 -20.848 -3.014 1.00 1.00 C ATOM 284 CD GLU A 18 -15.429 -21.560 -4.041 1.00 1.00 C ATOM 285 OE1 GLU A 18 -14.236 -21.244 -4.158 1.00 1.00 O ATOM 286 OE2 GLU A 18 -16.024 -22.473 -4.732 1.00 1.00 O ATOM 0 H GLU A 18 -14.780 -18.284 -2.046 1.00 1.00 H new ATOM 0 HA GLU A 18 -17.453 -17.689 -2.519 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -17.364 -19.322 -4.118 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -15.654 -19.000 -3.910 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -15.845 -20.896 -2.031 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -17.272 -21.361 -2.936 1.00 1.00 H new ATOM 293 N ASP A 19 -18.972 -19.125 -1.108 1.00 1.00 N ATOM 294 CA ASP A 19 -19.837 -19.821 -0.170 1.00 1.00 C ATOM 295 C ASP A 19 -21.092 -20.303 -0.901 1.00 1.00 C ATOM 296 O ASP A 19 -21.984 -19.478 -1.145 1.00 1.00 O ATOM 297 CB ASP A 19 -20.276 -18.895 0.965 1.00 1.00 C ATOM 298 CG ASP A 19 -20.660 -19.603 2.266 1.00 1.00 C ATOM 299 OD1 ASP A 19 -20.335 -20.782 2.471 1.00 1.00 O ATOM 300 OD2 ASP A 19 -21.329 -18.883 3.102 1.00 1.00 O ATOM 0 H ASP A 19 -19.461 -18.479 -1.728 1.00 1.00 H new ATOM 0 HA ASP A 19 -19.279 -20.660 0.245 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -19.468 -18.194 1.175 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -21.128 -18.306 0.624 1.00 1.00 H new ATOM 305 N PRO A 20 -21.134 -21.606 -1.229 1.00 1.00 N ATOM 306 CA PRO A 20 -22.252 -22.222 -1.923 1.00 1.00 C ATOM 307 C PRO A 20 -23.396 -22.530 -0.955 1.00 1.00 C ATOM 308 O PRO A 20 -24.387 -23.138 -1.387 1.00 1.00 O ATOM 309 CB PRO A 20 -21.673 -23.468 -2.573 1.00 1.00 C ATOM 310 CG PRO A 20 -20.372 -23.754 -1.841 1.00 1.00 C ATOM 311 CD PRO A 20 -20.013 -22.520 -1.030 1.00 1.00 C ATOM 0 HA PRO A 20 -22.694 -21.566 -2.673 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -22.362 -24.309 -2.488 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -21.496 -23.307 -3.636 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -20.483 -24.620 -1.189 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -19.578 -23.989 -2.550 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -19.883 -22.763 0.025 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -19.077 -22.079 -1.373 1.00 1.00 H new ATOM 319 N GLY A 21 -23.241 -22.111 0.313 1.00 1.00 N ATOM 320 CA GLY A 21 -24.254 -22.340 1.329 1.00 1.00 C ATOM 321 C GLY A 21 -23.970 -23.667 2.037 1.00 1.00 C ATOM 322 O GLY A 21 -22.962 -23.748 2.755 1.00 1.00 O ATOM 0 H GLY A 21 -22.417 -21.612 0.648 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -24.253 -21.523 2.050 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -25.244 -22.362 0.873 1.00 1.00 H new ATOM 326 N ILE A 22 -24.848 -24.663 1.825 1.00 1.00 N ATOM 327 CA ILE A 22 -24.691 -25.971 2.439 1.00 1.00 C ATOM 328 C ILE A 22 -25.145 -27.049 1.453 1.00 1.00 C ATOM 329 O ILE A 22 -24.279 -27.737 0.892 1.00 1.00 O ATOM 330 CB ILE A 22 -25.418 -26.022 3.784 1.00 1.00 C ATOM 331 CG1 ILE A 22 -25.456 -24.641 4.440 1.00 1.00 C ATOM 332 CG2 ILE A 22 -24.798 -27.077 4.703 1.00 1.00 C ATOM 333 CD1 ILE A 22 -25.751 -24.753 5.937 1.00 1.00 C ATOM 0 H ILE A 22 -25.672 -24.576 1.230 1.00 1.00 H new ATOM 0 HA ILE A 22 -23.642 -26.164 2.663 1.00 1.00 H new ATOM 0 HB ILE A 22 -26.451 -26.320 3.603 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -24.501 -24.137 4.291 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -26.219 -24.027 3.960 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -25.333 -27.093 5.652 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -24.868 -28.057 4.231 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -23.751 -26.834 4.881 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -25.772 -23.757 6.379 1.00 1.00 H new ATOM 0 HD12 ILE A 22 -26.718 -25.235 6.082 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -24.973 -25.347 6.418 1.00 1.00 H new ATOM 345 N CYS A 23 -26.471 -27.174 1.265 1.00 1.00 N ATOM 346 CA CYS A 23 -27.030 -28.160 0.355 1.00 1.00 C ATOM 347 C CYS A 23 -26.384 -28.000 -1.023 1.00 1.00 C ATOM 348 O CYS A 23 -25.486 -27.156 -1.159 1.00 1.00 O ATOM 349 CB CYS A 23 -28.555 -28.046 0.288 1.00 1.00 C ATOM 350 SG CYS A 23 -29.196 -26.348 0.367 1.00 1.00 S ATOM 0 H CYS A 23 -27.167 -26.598 1.738 1.00 1.00 H new ATOM 0 HA CYS A 23 -26.809 -29.161 0.726 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -28.899 -28.507 -0.638 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -28.985 -28.620 1.109 1.00 1.00 H new ATOM 0 HG CYS A 23 -30.494 -26.371 0.300 1.00 1.00 H new ATOM 356 N ARG A 24 -26.846 -28.800 -2.000 1.00 1.00 N ATOM 357 CA ARG A 24 -26.316 -28.748 -3.353 1.00 1.00 C ATOM 358 C ARG A 24 -27.098 -27.711 -4.161 1.00 1.00 C ATOM 359 O ARG A 24 -27.607 -26.754 -3.559 1.00 1.00 O ATOM 360 CB ARG A 24 -26.414 -30.106 -4.049 1.00 1.00 C ATOM 361 CG ARG A 24 -27.867 -30.447 -4.386 1.00 1.00 C ATOM 362 CD ARG A 24 -28.028 -30.742 -5.879 1.00 1.00 C ATOM 363 NE ARG A 24 -29.071 -31.772 -6.082 1.00 1.00 N ATOM 364 CZ ARG A 24 -30.394 -31.551 -5.926 1.00 1.00 C ATOM 365 NH1 ARG A 24 -30.811 -30.329 -5.567 1.00 1.00 N ATOM 366 NH2 ARG A 24 -31.277 -32.539 -6.129 1.00 1.00 N ATOM 0 H ARG A 24 -27.587 -29.488 -1.867 1.00 1.00 H new ATOM 0 HA ARG A 24 -25.263 -28.472 -3.294 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -25.819 -30.094 -4.962 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -25.995 -30.879 -3.405 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -28.186 -31.312 -3.804 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -28.514 -29.617 -4.104 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -28.298 -29.830 -6.411 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -27.081 -31.085 -6.294 1.00 1.00 H new ATOM 0 HE ARG A 24 -28.772 -32.708 -6.357 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -30.132 -29.583 -5.416 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -31.807 -30.145 -5.445 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -30.951 -33.466 -6.403 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -32.275 -32.364 -6.009 1.00 1.00 H new ATOM 380 N GLY A 25 -27.177 -27.916 -5.488 1.00 1.00 N ATOM 381 CA GLY A 25 -27.890 -27.005 -6.368 1.00 1.00 C ATOM 382 C GLY A 25 -26.880 -26.201 -7.189 1.00 1.00 C ATOM 383 O GLY A 25 -27.210 -25.075 -7.590 1.00 1.00 O ATOM 0 H GLY A 25 -26.751 -28.710 -5.965 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -28.552 -27.564 -7.030 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -28.518 -26.333 -5.783 1.00 1.00 H new ATOM 387 N TYR A 26 -25.690 -26.783 -7.418 1.00 1.00 N ATOM 388 CA TYR A 26 -24.685 -26.069 -8.187 1.00 1.00 C ATOM 389 C TYR A 26 -25.350 -25.407 -9.396 1.00 1.00 C ATOM 390 O TYR A 26 -26.326 -25.976 -9.908 1.00 1.00 O ATOM 391 CB TYR A 26 -23.564 -27.037 -8.608 1.00 1.00 C ATOM 392 CG TYR A 26 -22.895 -27.768 -7.452 1.00 1.00 C ATOM 393 CD1 TYR A 26 -23.108 -27.335 -6.123 1.00 1.00 C ATOM 394 CD2 TYR A 26 -22.063 -28.885 -7.698 1.00 1.00 C ATOM 395 CE1 TYR A 26 -22.493 -28.011 -5.049 1.00 1.00 C ATOM 396 CE2 TYR A 26 -21.448 -29.562 -6.623 1.00 1.00 C ATOM 397 CZ TYR A 26 -21.662 -29.125 -5.297 1.00 1.00 C ATOM 398 OH TYR A 26 -21.067 -29.776 -4.254 1.00 1.00 O ATOM 0 H TYR A 26 -25.417 -27.710 -7.092 1.00 1.00 H new ATOM 0 HA TYR A 26 -24.232 -25.286 -7.579 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -23.977 -27.774 -9.297 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -22.805 -26.478 -9.156 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -23.744 -26.484 -5.930 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -21.898 -29.221 -8.711 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -22.658 -27.676 -4.036 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -20.813 -30.415 -6.814 1.00 1.00 H new ATOM 0 HH TYR A 26 -20.529 -30.520 -4.597 1.00 1.00 H new ATOM 408 N ILE A 27 -24.829 -24.241 -9.816 1.00 1.00 N ATOM 409 CA ILE A 27 -25.381 -23.513 -10.947 1.00 1.00 C ATOM 410 C ILE A 27 -24.244 -22.840 -11.719 1.00 1.00 C ATOM 411 O ILE A 27 -24.521 -21.892 -12.467 1.00 1.00 O ATOM 412 CB ILE A 27 -26.467 -22.542 -10.480 1.00 1.00 C ATOM 413 CG1 ILE A 27 -27.127 -23.036 -9.191 1.00 1.00 C ATOM 414 CG2 ILE A 27 -27.491 -22.290 -11.589 1.00 1.00 C ATOM 415 CD1 ILE A 27 -28.074 -21.978 -8.620 1.00 1.00 C ATOM 0 H ILE A 27 -24.024 -23.790 -9.381 1.00 1.00 H new ATOM 0 HA ILE A 27 -25.874 -24.198 -11.637 1.00 1.00 H new ATOM 0 HB ILE A 27 -25.996 -21.585 -10.254 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -27.679 -23.954 -9.390 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -26.360 -23.278 -8.455 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -28.252 -21.597 -11.231 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -26.989 -21.862 -12.457 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -27.962 -23.232 -11.870 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -28.530 -22.354 -7.704 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -27.514 -21.069 -8.400 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -28.854 -21.756 -9.349 1.00 1.00 H new ATOM 427 N THR A 28 -23.009 -23.335 -11.525 1.00 1.00 N ATOM 428 CA THR A 28 -21.845 -22.785 -12.199 1.00 1.00 C ATOM 429 C THR A 28 -21.859 -21.261 -12.069 1.00 1.00 C ATOM 430 O THR A 28 -21.832 -20.581 -13.105 1.00 1.00 O ATOM 431 CB THR A 28 -21.845 -23.272 -13.650 1.00 1.00 C ATOM 432 OG1 THR A 28 -21.392 -24.620 -13.564 1.00 1.00 O ATOM 433 CG2 THR A 28 -20.781 -22.575 -14.501 1.00 1.00 C ATOM 0 H THR A 28 -22.803 -24.117 -10.903 1.00 1.00 H new ATOM 0 HA THR A 28 -20.917 -23.128 -11.742 1.00 1.00 H new ATOM 0 HB THR A 28 -22.828 -23.105 -14.089 1.00 1.00 H new ATOM 0 HG1 THR A 28 -21.363 -25.013 -14.461 1.00 1.00 H new ATOM 0 HG21 THR A 28 -20.824 -22.957 -15.521 1.00 1.00 H new ATOM 0 HG22 THR A 28 -20.966 -21.501 -14.507 1.00 1.00 H new ATOM 0 HG23 THR A 28 -19.794 -22.770 -14.081 1.00 1.00 H new ATOM 441 N ARG A 29 -21.900 -20.763 -10.820 1.00 1.00 N ATOM 442 CA ARG A 29 -21.917 -19.334 -10.561 1.00 1.00 C ATOM 443 C ARG A 29 -20.482 -18.804 -10.551 1.00 1.00 C ATOM 444 O ARG A 29 -19.559 -19.598 -10.788 1.00 1.00 O ATOM 445 CB ARG A 29 -22.582 -19.011 -9.222 1.00 1.00 C ATOM 446 CG ARG A 29 -24.077 -19.333 -9.260 1.00 1.00 C ATOM 447 CD ARG A 29 -24.800 -18.461 -10.288 1.00 1.00 C ATOM 448 NE ARG A 29 -26.248 -18.765 -10.281 1.00 1.00 N ATOM 449 CZ ARG A 29 -27.111 -18.321 -9.342 1.00 1.00 C ATOM 450 NH1 ARG A 29 -26.648 -17.555 -8.345 1.00 1.00 N ATOM 451 NH2 ARG A 29 -28.410 -18.641 -9.407 1.00 1.00 N ATOM 0 H ARG A 29 -21.922 -21.341 -9.980 1.00 1.00 H new ATOM 0 HA ARG A 29 -22.495 -18.855 -11.351 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -22.103 -19.583 -8.427 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -22.439 -17.956 -8.986 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -24.220 -20.385 -9.506 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -24.512 -19.174 -8.273 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -24.640 -17.407 -10.060 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -24.388 -18.638 -11.281 1.00 1.00 H new ATOM 0 HE ARG A 29 -26.618 -19.347 -11.033 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -25.657 -17.316 -8.304 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -27.286 -17.211 -7.627 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -28.754 -19.224 -10.170 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -29.055 -18.302 -8.694 1.00 1.00 H new ATOM 465 N TYR A 30 -20.324 -17.496 -10.281 1.00 1.00 N ATOM 466 CA TYR A 30 -18.986 -16.931 -10.260 1.00 1.00 C ATOM 467 C TYR A 30 -18.786 -16.152 -8.959 1.00 1.00 C ATOM 468 O TYR A 30 -19.791 -15.708 -8.385 1.00 1.00 O ATOM 469 CB TYR A 30 -18.776 -16.041 -11.499 1.00 1.00 C ATOM 470 CG TYR A 30 -18.898 -16.771 -12.829 1.00 1.00 C ATOM 471 CD1 TYR A 30 -20.141 -17.303 -13.243 1.00 1.00 C ATOM 472 CD2 TYR A 30 -17.762 -16.927 -13.657 1.00 1.00 C ATOM 473 CE1 TYR A 30 -20.248 -17.982 -14.475 1.00 1.00 C ATOM 474 CE2 TYR A 30 -17.869 -17.605 -14.889 1.00 1.00 C ATOM 475 CZ TYR A 30 -19.112 -18.133 -15.300 1.00 1.00 C ATOM 476 OH TYR A 30 -19.211 -18.789 -16.494 1.00 1.00 O ATOM 0 H TYR A 30 -21.081 -16.841 -10.083 1.00 1.00 H new ATOM 0 HA TYR A 30 -18.241 -17.726 -10.296 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -19.504 -15.230 -11.476 1.00 1.00 H new ATOM 0 HB3 TYR A 30 -17.788 -15.584 -11.439 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -21.011 -17.189 -12.614 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -16.809 -16.526 -13.345 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -21.199 -18.387 -14.787 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -16.999 -17.720 -15.519 1.00 1.00 H new ATOM 0 HH TYR A 30 -18.556 -18.422 -17.124 1.00 1.00 H new ATOM 486 N PHE A 31 -17.522 -16.011 -8.520 1.00 1.00 N ATOM 487 CA PHE A 31 -17.208 -15.302 -7.292 1.00 1.00 C ATOM 488 C PHE A 31 -15.801 -14.710 -7.395 1.00 1.00 C ATOM 489 O PHE A 31 -14.962 -15.303 -8.089 1.00 1.00 O ATOM 490 CB PHE A 31 -17.305 -16.278 -6.103 1.00 1.00 C ATOM 491 CG PHE A 31 -16.043 -17.090 -5.844 1.00 1.00 C ATOM 492 CD1 PHE A 31 -15.696 -18.154 -6.708 1.00 1.00 C ATOM 493 CD2 PHE A 31 -15.209 -16.783 -4.744 1.00 1.00 C ATOM 494 CE1 PHE A 31 -14.525 -18.906 -6.473 1.00 1.00 C ATOM 495 CE2 PHE A 31 -14.038 -17.536 -4.509 1.00 1.00 C ATOM 496 CZ PHE A 31 -13.697 -18.597 -5.373 1.00 1.00 C ATOM 0 H PHE A 31 -16.708 -16.384 -9.008 1.00 1.00 H new ATOM 0 HA PHE A 31 -17.917 -14.489 -7.135 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -17.548 -15.712 -5.204 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -18.133 -16.965 -6.280 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -16.329 -18.392 -7.550 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -15.469 -15.970 -4.082 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -14.263 -19.718 -7.135 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -13.404 -17.299 -3.668 1.00 1.00 H new ATOM 0 HZ PHE A 31 -12.802 -19.173 -5.193 1.00 1.00 H new ATOM 506 N TYR A 32 -15.574 -13.573 -6.714 1.00 1.00 N ATOM 507 CA TYR A 32 -14.259 -12.958 -6.774 1.00 1.00 C ATOM 508 C TYR A 32 -13.326 -13.660 -5.785 1.00 1.00 C ATOM 509 O TYR A 32 -13.451 -13.396 -4.580 1.00 1.00 O ATOM 510 CB TYR A 32 -14.374 -11.450 -6.483 1.00 1.00 C ATOM 511 CG TYR A 32 -13.118 -10.649 -6.797 1.00 1.00 C ATOM 512 CD1 TYR A 32 -12.070 -10.579 -5.851 1.00 1.00 C ATOM 513 CD2 TYR A 32 -12.989 -9.976 -8.034 1.00 1.00 C ATOM 514 CE1 TYR A 32 -10.903 -9.840 -6.138 1.00 1.00 C ATOM 515 CE2 TYR A 32 -11.821 -9.238 -8.321 1.00 1.00 C ATOM 516 CZ TYR A 32 -10.777 -9.168 -7.373 1.00 1.00 C ATOM 517 OH TYR A 32 -9.646 -8.453 -7.647 1.00 1.00 O ATOM 0 H TYR A 32 -16.262 -13.085 -6.140 1.00 1.00 H new ATOM 0 HA TYR A 32 -13.837 -13.069 -7.773 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -15.203 -11.043 -7.062 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -14.623 -11.314 -5.431 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -12.163 -11.093 -4.906 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -13.786 -10.027 -8.761 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -10.105 -9.788 -5.412 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -11.726 -8.726 -9.267 1.00 1.00 H new ATOM 0 HH TYR A 32 -9.720 -8.054 -8.539 1.00 1.00 H new ATOM 527 N ASN A 33 -12.436 -14.528 -6.296 1.00 1.00 N ATOM 528 CA ASN A 33 -11.507 -15.263 -5.456 1.00 1.00 C ATOM 529 C ASN A 33 -10.172 -14.517 -5.406 1.00 1.00 C ATOM 530 O ASN A 33 -9.641 -14.187 -6.476 1.00 1.00 O ATOM 531 CB ASN A 33 -11.246 -16.663 -6.015 1.00 1.00 C ATOM 532 CG ASN A 33 -10.713 -17.598 -4.928 1.00 1.00 C ATOM 533 OD1 ASN A 33 -10.487 -17.208 -3.794 1.00 1.00 O ATOM 534 ND2 ASN A 33 -10.525 -18.850 -5.335 1.00 1.00 N ATOM 0 H ASN A 33 -12.349 -14.730 -7.292 1.00 1.00 H new ATOM 0 HA ASN A 33 -11.947 -15.349 -4.462 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -12.168 -17.070 -6.430 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -10.528 -16.604 -6.833 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -10.171 -19.550 -4.683 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -10.734 -19.110 -6.299 1.00 1.00 H new ATOM 541 N ASN A 34 -9.664 -14.271 -4.185 1.00 1.00 N ATOM 542 CA ASN A 34 -8.404 -13.572 -4.001 1.00 1.00 C ATOM 543 C ASN A 34 -7.255 -14.470 -4.463 1.00 1.00 C ATOM 544 O ASN A 34 -6.198 -13.935 -4.828 1.00 1.00 O ATOM 545 CB ASN A 34 -8.174 -13.229 -2.528 1.00 1.00 C ATOM 546 CG ASN A 34 -7.783 -14.474 -1.730 1.00 1.00 C ATOM 547 OD1 ASN A 34 -6.705 -15.026 -1.880 1.00 1.00 O ATOM 548 ND2 ASN A 34 -8.716 -14.885 -0.876 1.00 1.00 N ATOM 0 H ASN A 34 -10.118 -14.552 -3.316 1.00 1.00 H new ATOM 0 HA ASN A 34 -8.441 -12.652 -4.584 1.00 1.00 H new ATOM 0 HB2 ASN A 34 -7.389 -12.478 -2.444 1.00 1.00 H new ATOM 0 HB3 ASN A 34 -9.080 -12.792 -2.107 1.00 1.00 H new ATOM 0 HD21 ASN A 34 -8.550 -15.708 -0.297 1.00 1.00 H new ATOM 0 HD22 ASN A 34 -9.597 -14.377 -0.800 1.00 1.00 H new ATOM 555 N GLN A 35 -7.480 -15.796 -4.438 1.00 1.00 N ATOM 556 CA GLN A 35 -6.470 -16.756 -4.851 1.00 1.00 C ATOM 557 C GLN A 35 -5.918 -16.352 -6.219 1.00 1.00 C ATOM 558 O GLN A 35 -4.710 -16.520 -6.440 1.00 1.00 O ATOM 559 CB GLN A 35 -7.029 -18.180 -4.883 1.00 1.00 C ATOM 560 CG GLN A 35 -5.969 -19.195 -4.449 1.00 1.00 C ATOM 561 CD GLN A 35 -5.474 -18.898 -3.032 1.00 1.00 C ATOM 562 OE1 GLN A 35 -6.187 -19.047 -2.053 1.00 1.00 O ATOM 563 NE2 GLN A 35 -4.215 -18.471 -2.978 1.00 1.00 N ATOM 0 H GLN A 35 -8.358 -16.217 -4.134 1.00 1.00 H new ATOM 0 HA GLN A 35 -5.661 -16.749 -4.121 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -7.895 -18.249 -4.225 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -7.374 -18.417 -5.890 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -6.386 -20.201 -4.489 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -5.130 -19.170 -5.144 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -3.674 -18.369 -3.837 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -3.791 -18.246 -2.078 1.00 1.00 H new ATOM 572 N THR A 36 -6.799 -15.837 -7.096 1.00 1.00 N ATOM 573 CA THR A 36 -6.401 -15.415 -8.428 1.00 1.00 C ATOM 574 C THR A 36 -6.808 -13.955 -8.638 1.00 1.00 C ATOM 575 O THR A 36 -6.948 -13.543 -9.799 1.00 1.00 O ATOM 576 CB THR A 36 -7.022 -16.371 -9.449 1.00 1.00 C ATOM 577 OG1 THR A 36 -8.426 -16.190 -9.286 1.00 1.00 O ATOM 578 CG2 THR A 36 -6.792 -17.840 -9.090 1.00 1.00 C ATOM 0 H THR A 36 -7.790 -15.708 -6.894 1.00 1.00 H new ATOM 0 HA THR A 36 -5.320 -15.460 -8.557 1.00 1.00 H new ATOM 0 HB THR A 36 -6.605 -16.168 -10.436 1.00 1.00 H new ATOM 0 HG1 THR A 36 -8.856 -16.161 -10.166 1.00 1.00 H new ATOM 0 HG21 THR A 36 -7.252 -18.476 -9.846 1.00 1.00 H new ATOM 0 HG22 THR A 36 -5.722 -18.041 -9.049 1.00 1.00 H new ATOM 0 HG23 THR A 36 -7.238 -18.051 -8.118 1.00 1.00 H new ATOM 586 N LYS A 37 -6.986 -13.214 -7.530 1.00 1.00 N ATOM 587 CA LYS A 37 -7.372 -11.814 -7.593 1.00 1.00 C ATOM 588 C LYS A 37 -8.263 -11.590 -8.816 1.00 1.00 C ATOM 589 O LYS A 37 -7.955 -10.692 -9.613 1.00 1.00 O ATOM 590 CB LYS A 37 -6.135 -10.915 -7.560 1.00 1.00 C ATOM 591 CG LYS A 37 -5.409 -11.031 -6.218 1.00 1.00 C ATOM 592 CD LYS A 37 -4.022 -11.651 -6.397 1.00 1.00 C ATOM 593 CE LYS A 37 -3.096 -10.712 -7.172 1.00 1.00 C ATOM 594 NZ LYS A 37 -2.137 -11.483 -7.979 1.00 1.00 N ATOM 0 H LYS A 37 -6.866 -13.573 -6.583 1.00 1.00 H new ATOM 0 HA LYS A 37 -7.959 -11.541 -6.716 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -5.458 -11.191 -8.369 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -6.429 -9.879 -7.730 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -5.314 -10.044 -5.765 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -5.998 -11.641 -5.533 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -3.589 -11.870 -5.421 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -4.110 -12.600 -6.927 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -3.686 -10.063 -7.819 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -2.559 -10.066 -6.477 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -1.516 -10.830 -8.498 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -1.562 -12.084 -7.355 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -2.654 -12.081 -8.655 1.00 1.00 H new ATOM 608 N GLN A 38 -9.332 -12.398 -8.939 1.00 1.00 N ATOM 609 CA GLN A 38 -10.255 -12.288 -10.056 1.00 1.00 C ATOM 610 C GLN A 38 -11.510 -13.111 -9.757 1.00 1.00 C ATOM 611 O GLN A 38 -11.610 -13.651 -8.646 1.00 1.00 O ATOM 612 CB GLN A 38 -9.606 -12.734 -11.368 1.00 1.00 C ATOM 613 CG GLN A 38 -9.191 -11.527 -12.212 1.00 1.00 C ATOM 614 CD GLN A 38 -8.960 -11.931 -13.670 1.00 1.00 C ATOM 615 OE1 GLN A 38 -9.882 -12.233 -14.410 1.00 1.00 O ATOM 616 NE2 GLN A 38 -7.682 -11.921 -14.038 1.00 1.00 N ATOM 0 H GLN A 38 -9.568 -13.132 -8.271 1.00 1.00 H new ATOM 0 HA GLN A 38 -10.532 -11.241 -10.179 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -8.733 -13.351 -11.155 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -10.304 -13.353 -11.931 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -9.964 -10.760 -12.161 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -8.280 -11.089 -11.804 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -6.960 -11.658 -13.367 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -7.424 -12.177 -14.991 1.00 1.00 H new ATOM 625 N CYS A 39 -12.427 -13.189 -10.738 1.00 1.00 N ATOM 626 CA CYS A 39 -13.661 -13.939 -10.580 1.00 1.00 C ATOM 627 C CYS A 39 -13.435 -15.384 -11.030 1.00 1.00 C ATOM 628 O CYS A 39 -13.028 -15.586 -12.183 1.00 1.00 O ATOM 629 CB CYS A 39 -14.810 -13.277 -11.343 1.00 1.00 C ATOM 630 SG CYS A 39 -15.464 -11.766 -10.575 1.00 1.00 S ATOM 0 H CYS A 39 -12.325 -12.736 -11.646 1.00 1.00 H new ATOM 0 HA CYS A 39 -13.948 -13.944 -9.528 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -14.468 -13.037 -12.350 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -15.622 -13.997 -11.445 1.00 1.00 H new ATOM 636 N GLU A 40 -13.701 -16.344 -10.126 1.00 1.00 N ATOM 637 CA GLU A 40 -13.528 -17.755 -10.428 1.00 1.00 C ATOM 638 C GLU A 40 -14.901 -18.420 -10.540 1.00 1.00 C ATOM 639 O GLU A 40 -15.809 -18.029 -9.792 1.00 1.00 O ATOM 640 CB GLU A 40 -12.664 -18.453 -9.376 1.00 1.00 C ATOM 641 CG GLU A 40 -11.248 -17.874 -9.356 1.00 1.00 C ATOM 642 CD GLU A 40 -10.591 -17.986 -10.734 1.00 1.00 C ATOM 643 OE1 GLU A 40 -10.669 -19.045 -11.374 1.00 1.00 O ATOM 644 OE2 GLU A 40 -9.984 -16.921 -11.136 1.00 1.00 O ATOM 0 H GLU A 40 -14.037 -16.156 -9.181 1.00 1.00 H new ATOM 0 HA GLU A 40 -13.005 -17.848 -11.380 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -13.120 -18.340 -8.393 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -12.621 -19.522 -9.587 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -11.283 -16.829 -9.050 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -10.645 -18.403 -8.618 1.00 1.00 H new ATOM 651 N ARG A 41 -15.024 -19.396 -11.457 1.00 1.00 N ATOM 652 CA ARG A 41 -16.275 -20.107 -11.662 1.00 1.00 C ATOM 653 C ARG A 41 -16.483 -21.104 -10.521 1.00 1.00 C ATOM 654 O ARG A 41 -15.705 -22.064 -10.427 1.00 1.00 O ATOM 655 CB ARG A 41 -16.284 -20.858 -12.995 1.00 1.00 C ATOM 656 CG ARG A 41 -17.424 -20.371 -13.892 1.00 1.00 C ATOM 657 CD ARG A 41 -17.083 -20.571 -15.370 1.00 1.00 C ATOM 658 NE ARG A 41 -17.919 -21.651 -15.940 1.00 1.00 N ATOM 659 CZ ARG A 41 -18.110 -21.842 -17.263 1.00 1.00 C ATOM 660 NH1 ARG A 41 -17.513 -21.014 -18.132 1.00 1.00 N ATOM 661 NH2 ARG A 41 -18.883 -22.844 -17.701 1.00 1.00 N ATOM 0 H ARG A 41 -14.264 -19.703 -12.064 1.00 1.00 H new ATOM 0 HA ARG A 41 -17.081 -19.374 -11.680 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -15.330 -20.715 -13.503 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -16.391 -21.927 -12.813 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -18.339 -20.912 -13.650 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -17.618 -19.316 -13.699 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -17.248 -19.644 -15.919 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -16.028 -20.821 -15.478 1.00 1.00 H new ATOM 0 HE ARG A 41 -18.380 -22.291 -15.293 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -16.925 -20.254 -17.790 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -17.647 -21.144 -19.135 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -19.333 -23.470 -17.033 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -19.022 -22.981 -18.702 1.00 1.00 H new ATOM 675 N PHE A 42 -17.513 -20.861 -9.690 1.00 1.00 N ATOM 676 CA PHE A 42 -17.818 -21.732 -8.567 1.00 1.00 C ATOM 677 C PHE A 42 -19.313 -22.056 -8.570 1.00 1.00 C ATOM 678 O PHE A 42 -20.092 -21.241 -9.086 1.00 1.00 O ATOM 679 CB PHE A 42 -17.412 -21.031 -7.256 1.00 1.00 C ATOM 680 CG PHE A 42 -18.510 -20.187 -6.622 1.00 1.00 C ATOM 681 CD1 PHE A 42 -19.024 -19.062 -7.307 1.00 1.00 C ATOM 682 CD2 PHE A 42 -19.026 -20.526 -5.349 1.00 1.00 C ATOM 683 CE1 PHE A 42 -20.045 -18.281 -6.723 1.00 1.00 C ATOM 684 CE2 PHE A 42 -20.046 -19.744 -4.766 1.00 1.00 C ATOM 685 CZ PHE A 42 -20.555 -18.622 -5.453 1.00 1.00 C ATOM 0 H PHE A 42 -18.143 -20.064 -9.785 1.00 1.00 H new ATOM 0 HA PHE A 42 -17.260 -22.665 -8.651 1.00 1.00 H new ATOM 0 HB2 PHE A 42 -17.093 -21.787 -6.539 1.00 1.00 H new ATOM 0 HB3 PHE A 42 -16.550 -20.394 -7.452 1.00 1.00 H new ATOM 0 HD1 PHE A 42 -18.635 -18.799 -8.280 1.00 1.00 H new ATOM 0 HD2 PHE A 42 -18.638 -21.385 -4.822 1.00 1.00 H new ATOM 0 HE1 PHE A 42 -20.436 -17.422 -7.249 1.00 1.00 H new ATOM 0 HE2 PHE A 42 -20.437 -20.005 -3.794 1.00 1.00 H new ATOM 0 HZ PHE A 42 -21.335 -18.024 -5.006 1.00 1.00 H new ATOM 695 N LYS A 43 -19.678 -23.219 -8.002 1.00 1.00 N ATOM 696 CA LYS A 43 -21.067 -23.643 -7.940 1.00 1.00 C ATOM 697 C LYS A 43 -21.732 -23.020 -6.712 1.00 1.00 C ATOM 698 O LYS A 43 -21.040 -22.828 -5.701 1.00 1.00 O ATOM 699 CB LYS A 43 -21.162 -25.170 -7.984 1.00 1.00 C ATOM 700 CG LYS A 43 -20.019 -25.813 -7.197 1.00 1.00 C ATOM 701 CD LYS A 43 -18.846 -26.157 -8.117 1.00 1.00 C ATOM 702 CE LYS A 43 -18.332 -27.572 -7.845 1.00 1.00 C ATOM 703 NZ LYS A 43 -17.193 -27.885 -8.724 1.00 1.00 N ATOM 0 H LYS A 43 -19.020 -23.876 -7.582 1.00 1.00 H new ATOM 0 HA LYS A 43 -21.614 -23.287 -8.813 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -22.118 -25.491 -7.571 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -21.132 -25.510 -9.019 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -19.684 -25.133 -6.414 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -20.376 -26.717 -6.703 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -19.159 -26.074 -9.158 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -18.040 -25.439 -7.968 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -18.029 -27.661 -6.802 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -19.133 -28.294 -8.007 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -16.856 -28.849 -8.526 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -17.493 -27.820 -9.718 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -16.424 -27.207 -8.550 1.00 1.00 H new ATOM 717 N TYR A 44 -23.038 -22.722 -6.820 1.00 1.00 N ATOM 718 CA TYR A 44 -23.728 -22.123 -5.690 1.00 1.00 C ATOM 719 C TYR A 44 -24.422 -23.221 -4.882 1.00 1.00 C ATOM 720 O TYR A 44 -23.743 -23.863 -4.067 1.00 1.00 O ATOM 721 CB TYR A 44 -24.724 -21.061 -6.189 1.00 1.00 C ATOM 722 CG TYR A 44 -25.646 -20.505 -5.113 1.00 1.00 C ATOM 723 CD1 TYR A 44 -25.446 -20.858 -3.759 1.00 1.00 C ATOM 724 CD2 TYR A 44 -26.702 -19.630 -5.458 1.00 1.00 C ATOM 725 CE1 TYR A 44 -26.296 -20.343 -2.758 1.00 1.00 C ATOM 726 CE2 TYR A 44 -27.552 -19.114 -4.457 1.00 1.00 C ATOM 727 CZ TYR A 44 -27.351 -19.471 -3.105 1.00 1.00 C ATOM 728 OH TYR A 44 -28.172 -18.975 -2.133 1.00 1.00 O ATOM 0 H TYR A 44 -23.610 -22.882 -7.649 1.00 1.00 H new ATOM 0 HA TYR A 44 -23.014 -21.622 -5.036 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -24.165 -20.237 -6.632 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -25.333 -21.496 -6.982 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -24.640 -21.524 -3.490 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -26.858 -19.356 -6.491 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -26.140 -20.616 -1.725 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -28.357 -18.446 -4.725 1.00 1.00 H new ATOM 0 HH TYR A 44 -28.845 -18.390 -2.540 1.00 1.00 H new ATOM 789 N ASN A 50 -23.083 -17.173 1.733 1.00 1.00 N ATOM 790 CA ASN A 50 -22.477 -15.867 1.929 1.00 1.00 C ATOM 791 C ASN A 50 -22.980 -14.909 0.846 1.00 1.00 C ATOM 792 O ASN A 50 -24.095 -15.117 0.346 1.00 1.00 O ATOM 793 CB ASN A 50 -20.953 -15.945 1.820 1.00 1.00 C ATOM 794 CG ASN A 50 -20.510 -16.013 0.357 1.00 1.00 C ATOM 795 OD1 ASN A 50 -21.308 -15.946 -0.564 1.00 1.00 O ATOM 796 ND2 ASN A 50 -19.198 -16.150 0.195 1.00 1.00 N ATOM 0 HA ASN A 50 -22.750 -15.514 2.924 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -20.506 -15.074 2.299 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -20.591 -16.823 2.354 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -18.803 -16.205 -0.744 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -18.586 -16.200 1.009 1.00 1.00 H new ATOM 803 N MET A 51 -22.161 -13.896 0.511 1.00 1.00 N ATOM 804 CA MET A 51 -22.521 -12.918 -0.501 1.00 1.00 C ATOM 805 C MET A 51 -21.876 -13.308 -1.833 1.00 1.00 C ATOM 806 O MET A 51 -22.610 -13.697 -2.753 1.00 1.00 O ATOM 807 CB MET A 51 -22.041 -11.525 -0.090 1.00 1.00 C ATOM 808 CG MET A 51 -22.870 -10.981 1.075 1.00 1.00 C ATOM 809 SD MET A 51 -22.498 -11.910 2.591 1.00 1.00 S ATOM 810 CE MET A 51 -20.780 -11.388 2.868 1.00 1.00 C ATOM 0 H MET A 51 -21.246 -13.743 0.934 1.00 1.00 H new ATOM 0 HA MET A 51 -23.606 -12.899 -0.606 1.00 1.00 H new ATOM 0 HB2 MET A 51 -20.990 -11.568 0.196 1.00 1.00 H new ATOM 0 HB3 MET A 51 -22.112 -10.846 -0.940 1.00 1.00 H new ATOM 0 HG2 MET A 51 -22.652 -9.923 1.224 1.00 1.00 H new ATOM 0 HG3 MET A 51 -23.932 -11.058 0.843 1.00 1.00 H new ATOM 0 HE1 MET A 51 -20.527 -11.514 3.921 1.00 1.00 H new ATOM 0 HE2 MET A 51 -20.112 -11.997 2.259 1.00 1.00 H new ATOM 0 HE3 MET A 51 -20.669 -10.340 2.591 1.00 1.00 H new ATOM 820 N ASN A 52 -20.537 -13.199 -1.908 1.00 1.00 N ATOM 821 CA ASN A 52 -19.803 -13.537 -3.115 1.00 1.00 C ATOM 822 C ASN A 52 -20.516 -14.684 -3.835 1.00 1.00 C ATOM 823 O ASN A 52 -20.271 -15.846 -3.480 1.00 1.00 O ATOM 824 CB ASN A 52 -18.382 -13.997 -2.786 1.00 1.00 C ATOM 825 CG ASN A 52 -17.435 -13.736 -3.959 1.00 1.00 C ATOM 826 OD1 ASN A 52 -17.848 -13.479 -5.078 1.00 1.00 O ATOM 827 ND2 ASN A 52 -16.146 -13.817 -3.643 1.00 1.00 N ATOM 0 H ASN A 52 -19.951 -12.877 -1.138 1.00 1.00 H new ATOM 0 HA ASN A 52 -19.757 -12.647 -3.742 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -18.022 -13.473 -1.900 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -18.386 -15.061 -2.547 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -15.435 -13.660 -4.357 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -15.868 -14.036 -2.686 1.00 1.00 H new ATOM 834 N ASN A 53 -21.370 -14.341 -4.816 1.00 1.00 N ATOM 835 CA ASN A 53 -22.109 -15.335 -5.576 1.00 1.00 C ATOM 836 C ASN A 53 -22.772 -14.661 -6.779 1.00 1.00 C ATOM 837 O ASN A 53 -23.875 -14.119 -6.618 1.00 1.00 O ATOM 838 CB ASN A 53 -23.210 -15.972 -4.726 1.00 1.00 C ATOM 839 CG ASN A 53 -24.302 -16.580 -5.608 1.00 1.00 C ATOM 840 OD1 ASN A 53 -25.261 -15.930 -5.989 1.00 1.00 O ATOM 841 ND2 ASN A 53 -24.104 -17.860 -5.910 1.00 1.00 N ATOM 0 H ASN A 53 -21.558 -13.377 -5.093 1.00 1.00 H new ATOM 0 HA ASN A 53 -21.407 -16.106 -5.894 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -22.781 -16.745 -4.088 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -23.646 -15.221 -4.067 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -24.777 -18.356 -6.494 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -23.279 -18.345 -5.558 1.00 1.00 H new ATOM 848 N PHE A 54 -22.098 -14.707 -7.942 1.00 1.00 N ATOM 849 CA PHE A 54 -22.618 -14.105 -9.158 1.00 1.00 C ATOM 850 C PHE A 54 -23.028 -15.210 -10.134 1.00 1.00 C ATOM 851 O PHE A 54 -22.767 -16.385 -9.837 1.00 1.00 O ATOM 852 CB PHE A 54 -21.537 -13.200 -9.779 1.00 1.00 C ATOM 853 CG PHE A 54 -21.017 -12.106 -8.856 1.00 1.00 C ATOM 854 CD1 PHE A 54 -19.933 -12.362 -7.984 1.00 1.00 C ATOM 855 CD2 PHE A 54 -21.622 -10.828 -8.860 1.00 1.00 C ATOM 856 CE1 PHE A 54 -19.458 -11.348 -7.126 1.00 1.00 C ATOM 857 CE2 PHE A 54 -21.146 -9.814 -8.003 1.00 1.00 C ATOM 858 CZ PHE A 54 -20.063 -10.073 -7.136 1.00 1.00 C ATOM 0 H PHE A 54 -21.190 -15.159 -8.054 1.00 1.00 H new ATOM 0 HA PHE A 54 -23.494 -13.497 -8.932 1.00 1.00 H new ATOM 0 HB2 PHE A 54 -20.698 -13.821 -10.092 1.00 1.00 H new ATOM 0 HB3 PHE A 54 -21.943 -12.736 -10.678 1.00 1.00 H new ATOM 0 HD1 PHE A 54 -19.468 -13.337 -7.975 1.00 1.00 H new ATOM 0 HD2 PHE A 54 -22.452 -10.628 -9.522 1.00 1.00 H new ATOM 0 HE1 PHE A 54 -18.631 -11.548 -6.461 1.00 1.00 H new ATOM 0 HE2 PHE A 54 -21.610 -8.839 -8.010 1.00 1.00 H new ATOM 0 HZ PHE A 54 -19.698 -9.296 -6.481 1.00 1.00 H new ATOM 868 N GLU A 55 -23.650 -14.819 -11.260 1.00 1.00 N ATOM 869 CA GLU A 55 -24.089 -15.770 -12.268 1.00 1.00 C ATOM 870 C GLU A 55 -23.132 -15.721 -13.460 1.00 1.00 C ATOM 871 O GLU A 55 -22.736 -16.792 -13.943 1.00 1.00 O ATOM 872 CB GLU A 55 -25.528 -15.497 -12.708 1.00 1.00 C ATOM 873 CG GLU A 55 -26.470 -15.447 -11.504 1.00 1.00 C ATOM 874 CD GLU A 55 -27.925 -15.642 -11.937 1.00 1.00 C ATOM 875 OE1 GLU A 55 -28.080 -16.211 -13.084 1.00 1.00 O ATOM 876 OE2 GLU A 55 -28.847 -15.262 -11.200 1.00 1.00 O ATOM 0 H GLU A 55 -23.855 -13.846 -11.485 1.00 1.00 H new ATOM 0 HA GLU A 55 -24.074 -16.770 -11.836 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -25.573 -14.552 -13.249 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -25.855 -16.275 -13.398 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -26.193 -16.221 -10.789 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -26.364 -14.489 -10.994 1.00 1.00 H new ATOM 883 N THR A 56 -22.784 -14.500 -13.904 1.00 1.00 N ATOM 884 CA THR A 56 -21.882 -14.318 -15.029 1.00 1.00 C ATOM 885 C THR A 56 -20.574 -13.699 -14.533 1.00 1.00 C ATOM 886 O THR A 56 -20.619 -12.911 -13.578 1.00 1.00 O ATOM 887 CB THR A 56 -22.590 -13.472 -16.090 1.00 1.00 C ATOM 888 OG1 THR A 56 -23.513 -12.682 -15.346 1.00 1.00 O ATOM 889 CG2 THR A 56 -23.476 -14.312 -17.012 1.00 1.00 C ATOM 0 H THR A 56 -23.121 -13.630 -13.492 1.00 1.00 H new ATOM 0 HA THR A 56 -21.621 -15.270 -15.492 1.00 1.00 H new ATOM 0 HB THR A 56 -21.848 -12.940 -16.685 1.00 1.00 H new ATOM 0 HG1 THR A 56 -24.014 -12.102 -15.957 1.00 1.00 H new ATOM 0 HG21 THR A 56 -23.955 -13.664 -17.746 1.00 1.00 H new ATOM 0 HG22 THR A 56 -22.865 -15.054 -17.527 1.00 1.00 H new ATOM 0 HG23 THR A 56 -24.240 -14.818 -16.421 1.00 1.00 H new ATOM 897 N LEU A 57 -19.452 -14.063 -15.180 1.00 1.00 N ATOM 898 CA LEU A 57 -18.146 -13.547 -14.807 1.00 1.00 C ATOM 899 C LEU A 57 -18.165 -12.020 -14.884 1.00 1.00 C ATOM 900 O LEU A 57 -17.772 -11.375 -13.901 1.00 1.00 O ATOM 901 CB LEU A 57 -17.052 -14.193 -15.660 1.00 1.00 C ATOM 902 CG LEU A 57 -15.612 -13.936 -15.210 1.00 1.00 C ATOM 903 CD1 LEU A 57 -15.203 -14.907 -14.101 1.00 1.00 C ATOM 904 CD2 LEU A 57 -14.650 -13.985 -16.398 1.00 1.00 C ATOM 0 H LEU A 57 -19.436 -14.715 -15.964 1.00 1.00 H new ATOM 0 HA LEU A 57 -17.912 -13.811 -13.776 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -17.220 -15.270 -15.676 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -17.160 -13.838 -16.685 1.00 1.00 H new ATOM 0 HG LEU A 57 -15.558 -12.930 -14.793 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -14.176 -14.703 -13.799 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -15.865 -14.780 -13.244 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -15.277 -15.931 -14.468 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -13.634 -13.799 -16.051 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -14.700 -14.968 -16.866 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -14.930 -13.223 -17.125 1.00 1.00 H new ATOM 916 N GLU A 58 -18.613 -11.480 -16.032 1.00 1.00 N ATOM 917 CA GLU A 58 -18.681 -10.042 -16.232 1.00 1.00 C ATOM 918 C GLU A 58 -19.478 -9.410 -15.089 1.00 1.00 C ATOM 919 O GLU A 58 -19.152 -8.280 -14.697 1.00 1.00 O ATOM 920 CB GLU A 58 -19.295 -9.692 -17.588 1.00 1.00 C ATOM 921 CG GLU A 58 -18.544 -8.532 -18.247 1.00 1.00 C ATOM 922 CD GLU A 58 -19.160 -8.181 -19.603 1.00 1.00 C ATOM 923 OE1 GLU A 58 -19.823 -9.026 -20.220 1.00 1.00 O ATOM 924 OE2 GLU A 58 -18.928 -6.979 -20.011 1.00 1.00 O ATOM 0 H GLU A 58 -18.931 -12.029 -16.830 1.00 1.00 H new ATOM 0 HA GLU A 58 -17.668 -9.640 -16.230 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -19.267 -10.565 -18.240 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -20.344 -9.424 -17.458 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -18.571 -7.659 -17.594 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -17.496 -8.800 -18.378 1.00 1.00 H new ATOM 931 N GLU A 59 -20.490 -10.138 -14.586 1.00 1.00 N ATOM 932 CA GLU A 59 -21.324 -9.652 -13.500 1.00 1.00 C ATOM 933 C GLU A 59 -20.487 -9.562 -12.222 1.00 1.00 C ATOM 934 O GLU A 59 -20.539 -8.518 -11.555 1.00 1.00 O ATOM 935 CB GLU A 59 -22.551 -10.541 -13.291 1.00 1.00 C ATOM 936 CG GLU A 59 -23.677 -9.769 -12.600 1.00 1.00 C ATOM 937 CD GLU A 59 -24.562 -10.709 -11.778 1.00 1.00 C ATOM 938 OE1 GLU A 59 -24.303 -11.921 -11.731 1.00 1.00 O ATOM 939 OE2 GLU A 59 -25.547 -10.139 -11.172 1.00 1.00 O ATOM 0 H GLU A 59 -20.742 -11.067 -14.923 1.00 1.00 H new ATOM 0 HA GLU A 59 -21.693 -8.660 -13.760 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -22.900 -10.917 -14.253 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -22.278 -11.408 -12.690 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -23.253 -9.003 -11.951 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -24.282 -9.255 -13.347 1.00 1.00 H new ATOM 946 N CYS A 60 -19.746 -10.640 -11.910 1.00 1.00 N ATOM 947 CA CYS A 60 -18.908 -10.682 -10.724 1.00 1.00 C ATOM 948 C CYS A 60 -17.798 -9.636 -10.852 1.00 1.00 C ATOM 949 O CYS A 60 -17.349 -9.123 -9.816 1.00 1.00 O ATOM 950 CB CYS A 60 -18.345 -12.086 -10.495 1.00 1.00 C ATOM 951 SG CYS A 60 -17.009 -12.180 -9.268 1.00 1.00 S ATOM 0 H CYS A 60 -19.718 -11.491 -12.472 1.00 1.00 H new ATOM 0 HA CYS A 60 -19.511 -10.442 -9.848 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -19.157 -12.741 -10.178 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -17.975 -12.473 -11.444 1.00 1.00 H new ATOM 957 N LYS A 61 -17.385 -9.345 -12.098 1.00 1.00 N ATOM 958 CA LYS A 61 -16.338 -8.371 -12.355 1.00 1.00 C ATOM 959 C LYS A 61 -16.918 -6.961 -12.229 1.00 1.00 C ATOM 960 O LYS A 61 -16.284 -6.119 -11.576 1.00 1.00 O ATOM 961 CB LYS A 61 -15.673 -8.644 -13.706 1.00 1.00 C ATOM 962 CG LYS A 61 -15.180 -10.089 -13.792 1.00 1.00 C ATOM 963 CD LYS A 61 -13.719 -10.144 -14.245 1.00 1.00 C ATOM 964 CE LYS A 61 -12.926 -11.156 -13.417 1.00 1.00 C ATOM 965 NZ LYS A 61 -12.798 -12.430 -14.143 1.00 1.00 N ATOM 0 H LYS A 61 -17.769 -9.778 -12.938 1.00 1.00 H new ATOM 0 HA LYS A 61 -15.545 -8.458 -11.612 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -16.382 -8.450 -14.510 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -14.835 -7.961 -13.848 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -15.281 -10.570 -12.819 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -15.802 -10.648 -14.490 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -13.672 -10.415 -15.300 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -13.267 -9.157 -14.149 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -11.937 -10.757 -13.194 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -13.424 -11.323 -12.462 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -12.912 -13.221 -13.478 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -13.533 -12.487 -14.877 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -11.859 -12.483 -14.588 1.00 1.00 H new ATOM 979 N ASN A 62 -18.092 -6.735 -12.845 1.00 1.00 N ATOM 980 CA ASN A 62 -18.748 -5.439 -12.801 1.00 1.00 C ATOM 981 C ASN A 62 -18.905 -5.001 -11.344 1.00 1.00 C ATOM 982 O ASN A 62 -18.586 -3.842 -11.038 1.00 1.00 O ATOM 983 CB ASN A 62 -20.142 -5.506 -13.429 1.00 1.00 C ATOM 984 CG ASN A 62 -20.408 -4.280 -14.304 1.00 1.00 C ATOM 985 OD1 ASN A 62 -21.349 -3.530 -14.098 1.00 1.00 O ATOM 986 ND2 ASN A 62 -19.531 -4.117 -15.290 1.00 1.00 N ATOM 0 H ASN A 62 -18.598 -7.443 -13.378 1.00 1.00 H new ATOM 0 HA ASN A 62 -18.135 -4.731 -13.359 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -20.231 -6.412 -14.029 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -20.896 -5.568 -12.644 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -19.623 -3.328 -15.929 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -18.766 -4.781 -15.407 1.00 1.00 H new ATOM 993 N ILE A 63 -19.387 -5.919 -10.488 1.00 1.00 N ATOM 994 CA ILE A 63 -19.583 -5.629 -9.078 1.00 1.00 C ATOM 995 C ILE A 63 -18.233 -5.670 -8.360 1.00 1.00 C ATOM 996 O ILE A 63 -17.886 -4.680 -7.699 1.00 1.00 O ATOM 997 CB ILE A 63 -20.628 -6.573 -8.477 1.00 1.00 C ATOM 998 CG1 ILE A 63 -22.036 -5.991 -8.615 1.00 1.00 C ATOM 999 CG2 ILE A 63 -20.288 -6.914 -7.025 1.00 1.00 C ATOM 1000 CD1 ILE A 63 -23.098 -7.080 -8.446 1.00 1.00 C ATOM 0 H ILE A 63 -19.645 -6.867 -10.760 1.00 1.00 H new ATOM 0 HA ILE A 63 -19.983 -4.623 -8.948 1.00 1.00 H new ATOM 0 HB ILE A 63 -20.609 -7.506 -9.039 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -22.186 -5.212 -7.867 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -22.145 -5.520 -9.592 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -21.046 -7.586 -6.622 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -19.313 -7.400 -6.984 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -20.262 -5.999 -6.433 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -24.090 -6.640 -8.549 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -22.960 -7.845 -9.210 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -23.002 -7.532 -7.459 1.00 1.00 H new ATOM 1012 N CYS A 64 -17.509 -6.795 -8.501 1.00 1.00 N ATOM 1013 CA CYS A 64 -16.211 -6.960 -7.871 1.00 1.00 C ATOM 1014 C CYS A 64 -15.173 -6.126 -8.625 1.00 1.00 C ATOM 1015 O CYS A 64 -14.961 -4.965 -8.246 1.00 1.00 O ATOM 1016 CB CYS A 64 -15.815 -8.436 -7.800 1.00 1.00 C ATOM 1017 SG CYS A 64 -17.102 -9.540 -7.147 1.00 1.00 S ATOM 0 H CYS A 64 -17.813 -7.599 -9.050 1.00 1.00 H new ATOM 0 HA CYS A 64 -16.262 -6.602 -6.843 1.00 1.00 H new ATOM 0 HB2 CYS A 64 -15.541 -8.772 -8.800 1.00 1.00 H new ATOM 0 HB3 CYS A 64 -14.926 -8.529 -7.177 1.00 1.00 H new ATOM 0 HG CYS A 64 -17.358 -9.225 -5.912 1.00 1.00 H new ATOM 1023 N GLU A 65 -14.558 -6.724 -9.661 1.00 1.00 N ATOM 1024 CA GLU A 65 -13.553 -6.041 -10.459 1.00 1.00 C ATOM 1025 C GLU A 65 -13.887 -4.549 -10.523 1.00 1.00 C ATOM 1026 O GLU A 65 -12.951 -3.735 -10.519 1.00 1.00 O ATOM 1027 CB GLU A 65 -13.448 -6.640 -11.863 1.00 1.00 C ATOM 1028 CG GLU A 65 -12.417 -7.769 -11.901 1.00 1.00 C ATOM 1029 CD GLU A 65 -11.585 -7.709 -13.184 1.00 1.00 C ATOM 1030 OE1 GLU A 65 -11.377 -6.522 -13.643 1.00 1.00 O ATOM 1031 OE2 GLU A 65 -11.167 -8.755 -13.702 1.00 1.00 O ATOM 0 H GLU A 65 -14.748 -7.682 -9.957 1.00 1.00 H new ATOM 0 HA GLU A 65 -12.581 -6.172 -9.984 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -14.421 -7.021 -12.174 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -13.168 -5.863 -12.574 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -11.761 -7.696 -11.034 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -12.924 -8.732 -11.837 1.00 1.00 H new ATOM 1038 N ASP A 66 -15.191 -4.225 -10.579 1.00 1.00 N ATOM 1039 CA ASP A 66 -15.640 -2.845 -10.643 1.00 1.00 C ATOM 1040 C ASP A 66 -14.824 -2.096 -11.699 1.00 1.00 C ATOM 1041 O ASP A 66 -14.456 -0.939 -11.449 1.00 1.00 O ATOM 1042 CB ASP A 66 -15.438 -2.138 -9.301 1.00 1.00 C ATOM 1043 CG ASP A 66 -13.984 -2.035 -8.836 1.00 1.00 C ATOM 1044 OD1 ASP A 66 -13.142 -1.417 -9.505 1.00 1.00 O ATOM 1045 OD2 ASP A 66 -13.725 -2.632 -7.722 1.00 1.00 O ATOM 0 H ASP A 66 -15.946 -4.911 -10.581 1.00 1.00 H new ATOM 0 HA ASP A 66 -16.701 -2.847 -10.894 1.00 1.00 H new ATOM 0 HB2 ASP A 66 -15.853 -1.133 -9.371 1.00 1.00 H new ATOM 0 HB3 ASP A 66 -16.011 -2.667 -8.539 1.00 1.00 H new