USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 496 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 16 CYS SG : rot 163:sc= -4! USER MOD Set 1.2: A 78 CYS SG : rot 171:sc= 0.416! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 169:sc= -0.0927 (180deg=-0.27) USER MOD Single : A 18 LYS NZ :NH3+ -142:sc= 1.17 (180deg=0.0472) USER MOD Single : A 29 ASN : amide:sc= -0.0722 X(o=-0.072,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -53:sc= 0.044 USER MOD Single : A 37 MET CE :methyl -111:sc= -0.174 (180deg=-1.94) USER MOD Single : A 39 MET CE :methyl 143:sc= -0.997 (180deg=-4.27!) USER MOD Single : A 41 THR OG1 : rot 71:sc= 0.194 USER MOD Single : A 42 LYS NZ :NH3+ -153:sc=-0.00263 (180deg=-0.855) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -40:sc= 0.551 USER MOD Single : A 47 TYR OH : rot 36:sc= 1.05 USER MOD Single : A 48 THR OG1 : rot 30:sc= 0.0233 USER MOD Single : A 49 LYS NZ :NH3+ -155:sc= 1.21 (180deg=0.943) USER MOD Single : A 52 THR OG1 : rot -67:sc= 0.328 USER MOD Single : A 56 MET CE :methyl -176:sc= -0.987 (180deg=-1.01) USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.18) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.5) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -37:sc= 0.211 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 27.067 -30.603 -23.519 1.00 0.00 N ATOM 159 CA GLU A 12 28.182 -29.666 -23.284 1.00 0.00 C ATOM 160 C GLU A 12 28.355 -28.693 -24.466 1.00 0.00 C ATOM 161 O GLU A 12 28.837 -27.570 -24.316 1.00 0.00 O ATOM 162 CB GLU A 12 29.514 -30.367 -23.003 1.00 0.00 C ATOM 163 CG GLU A 12 29.469 -31.134 -21.679 1.00 0.00 C ATOM 164 CD GLU A 12 30.869 -31.400 -21.162 1.00 0.00 C ATOM 165 OE1 GLU A 12 31.481 -32.412 -21.566 1.00 0.00 O ATOM 166 OE2 GLU A 12 31.371 -30.591 -20.351 1.00 0.00 O ATOM 0 HA GLU A 12 27.909 -29.109 -22.388 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.745 -31.055 -23.817 1.00 0.00 H new ATOM 0 HB3 GLU A 12 30.316 -29.630 -22.972 1.00 0.00 H new ATOM 0 HG2 GLU A 12 28.907 -30.562 -20.941 1.00 0.00 H new ATOM 0 HG3 GLU A 12 28.943 -32.078 -21.818 1.00 0.00 H new ATOM 173 N LYS A 13 27.954 -29.141 -25.658 1.00 0.00 N ATOM 174 CA LYS A 13 27.867 -28.227 -26.791 1.00 0.00 C ATOM 175 C LYS A 13 26.879 -27.068 -26.553 1.00 0.00 C ATOM 176 O LYS A 13 27.193 -25.906 -26.829 1.00 0.00 O ATOM 177 CB LYS A 13 27.533 -29.003 -28.075 1.00 0.00 C ATOM 178 CG LYS A 13 27.765 -28.166 -29.333 1.00 0.00 C ATOM 179 CD LYS A 13 26.457 -27.561 -29.860 1.00 0.00 C ATOM 180 CE LYS A 13 26.036 -28.251 -31.157 1.00 0.00 C ATOM 181 NZ LYS A 13 24.888 -27.554 -31.763 1.00 0.00 N ATOM 0 H LYS A 13 27.691 -30.106 -25.858 1.00 0.00 H new ATOM 0 HA LYS A 13 28.846 -27.762 -26.909 1.00 0.00 H new ATOM 0 HB2 LYS A 13 28.145 -29.904 -28.122 1.00 0.00 H new ATOM 0 HB3 LYS A 13 26.492 -29.326 -28.042 1.00 0.00 H new ATOM 0 HG2 LYS A 13 28.473 -27.367 -29.113 1.00 0.00 H new ATOM 0 HG3 LYS A 13 28.216 -28.788 -30.106 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.672 -27.669 -29.112 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.587 -26.493 -30.034 1.00 0.00 H new ATOM 0 HE2 LYS A 13 26.872 -28.264 -31.857 1.00 0.00 H new ATOM 0 HE3 LYS A 13 25.773 -29.289 -30.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 24.615 -28.036 -32.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 24.087 -27.563 -31.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 25.151 -26.570 -31.974 1.00 0.00 H new ATOM 195 N ASP A 14 25.674 -27.364 -26.038 1.00 0.00 N ATOM 196 CA ASP A 14 24.781 -26.252 -25.670 1.00 0.00 C ATOM 197 C ASP A 14 25.408 -25.333 -24.610 1.00 0.00 C ATOM 198 O ASP A 14 25.320 -24.107 -24.684 1.00 0.00 O ATOM 199 CB ASP A 14 23.384 -26.703 -25.230 1.00 0.00 C ATOM 200 CG ASP A 14 22.434 -25.523 -25.064 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.984 -24.964 -26.088 1.00 0.00 O ATOM 202 OD2 ASP A 14 22.131 -25.151 -23.910 1.00 0.00 O ATOM 0 H ASP A 14 25.311 -28.303 -25.874 1.00 0.00 H new ATOM 0 HA ASP A 14 24.651 -25.681 -26.590 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.977 -27.396 -25.966 1.00 0.00 H new ATOM 0 HB3 ASP A 14 23.457 -27.246 -24.288 1.00 0.00 H new ATOM 207 N GLU A 15 26.065 -25.941 -23.628 1.00 0.00 N ATOM 208 CA GLU A 15 26.804 -25.144 -22.635 1.00 0.00 C ATOM 209 C GLU A 15 27.836 -24.204 -23.266 1.00 0.00 C ATOM 210 O GLU A 15 27.952 -23.035 -22.895 1.00 0.00 O ATOM 211 CB GLU A 15 27.510 -26.023 -21.582 1.00 0.00 C ATOM 212 CG GLU A 15 26.637 -26.232 -20.338 1.00 0.00 C ATOM 213 CD GLU A 15 26.606 -24.986 -19.461 1.00 0.00 C ATOM 214 OE1 GLU A 15 27.554 -24.780 -18.673 1.00 0.00 O ATOM 215 OE2 GLU A 15 25.631 -24.209 -19.554 1.00 0.00 O ATOM 0 H GLU A 15 26.107 -26.951 -23.493 1.00 0.00 H new ATOM 0 HA GLU A 15 26.040 -24.540 -22.145 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.755 -26.990 -22.021 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.452 -25.557 -21.291 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.623 -26.489 -20.643 1.00 0.00 H new ATOM 0 HG3 GLU A 15 27.019 -27.074 -19.762 1.00 0.00 H new ATOM 222 N CYS A 16 28.595 -24.719 -24.227 1.00 0.00 N ATOM 223 CA CYS A 16 29.671 -23.855 -24.802 1.00 0.00 C ATOM 224 C CYS A 16 29.031 -22.727 -25.658 1.00 0.00 C ATOM 225 O CYS A 16 29.577 -21.625 -25.712 1.00 0.00 O ATOM 226 CB CYS A 16 30.630 -24.668 -25.718 1.00 0.00 C ATOM 227 SG CYS A 16 31.816 -23.483 -26.422 1.00 0.00 S ATOM 0 H CYS A 16 28.514 -25.659 -24.616 1.00 0.00 H new ATOM 0 HA CYS A 16 30.239 -23.442 -23.969 1.00 0.00 H new ATOM 0 HB2 CYS A 16 31.147 -25.440 -25.148 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.074 -25.174 -26.508 1.00 0.00 H new ATOM 0 HG CYS A 16 32.839 -24.126 -26.902 1.00 0.00 H new ATOM 233 N MET A 17 27.893 -22.948 -26.342 1.00 0.00 N ATOM 234 CA MET A 17 27.251 -21.791 -27.015 1.00 0.00 C ATOM 235 C MET A 17 26.554 -20.855 -26.006 1.00 0.00 C ATOM 236 O MET A 17 26.409 -19.655 -26.242 1.00 0.00 O ATOM 237 CB MET A 17 26.361 -22.118 -28.227 1.00 0.00 C ATOM 238 CG MET A 17 26.384 -20.967 -29.259 1.00 0.00 C ATOM 239 SD MET A 17 27.082 -21.528 -30.835 1.00 0.00 S ATOM 240 CE MET A 17 28.494 -20.400 -31.040 1.00 0.00 C ATOM 0 H MET A 17 27.422 -23.847 -26.444 1.00 0.00 H new ATOM 0 HA MET A 17 28.087 -21.253 -27.462 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.705 -23.039 -28.697 1.00 0.00 H new ATOM 0 HB3 MET A 17 25.338 -22.293 -27.895 1.00 0.00 H new ATOM 0 HG2 MET A 17 25.372 -20.594 -29.417 1.00 0.00 H new ATOM 0 HG3 MET A 17 26.973 -20.136 -28.871 1.00 0.00 H new ATOM 0 HE1 MET A 17 29.124 -20.751 -31.857 1.00 0.00 H new ATOM 0 HE2 MET A 17 28.129 -19.398 -31.267 1.00 0.00 H new ATOM 0 HE3 MET A 17 29.076 -20.374 -30.119 1.00 0.00 H new ATOM 250 N LYS A 18 26.157 -21.394 -24.852 1.00 0.00 N ATOM 251 CA LYS A 18 25.613 -20.523 -23.802 1.00 0.00 C ATOM 252 C LYS A 18 26.673 -19.594 -23.192 1.00 0.00 C ATOM 253 O LYS A 18 26.397 -18.436 -22.876 1.00 0.00 O ATOM 254 CB LYS A 18 24.848 -21.316 -22.729 1.00 0.00 C ATOM 255 CG LYS A 18 24.029 -20.407 -21.799 1.00 0.00 C ATOM 256 CD LYS A 18 22.821 -19.795 -22.523 1.00 0.00 C ATOM 257 CE LYS A 18 22.747 -18.284 -22.281 1.00 0.00 C ATOM 258 NZ LYS A 18 21.928 -17.641 -23.327 1.00 0.00 N ATOM 0 H LYS A 18 26.197 -22.387 -24.623 1.00 0.00 H new ATOM 0 HA LYS A 18 24.887 -19.874 -24.292 1.00 0.00 H new ATOM 0 HB2 LYS A 18 24.182 -22.029 -23.215 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.556 -21.895 -22.136 1.00 0.00 H new ATOM 0 HG2 LYS A 18 23.685 -20.981 -20.939 1.00 0.00 H new ATOM 0 HG3 LYS A 18 24.666 -19.610 -21.416 1.00 0.00 H new ATOM 0 HD2 LYS A 18 22.894 -19.993 -23.592 1.00 0.00 H new ATOM 0 HD3 LYS A 18 21.904 -20.269 -22.173 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.317 -18.086 -21.299 1.00 0.00 H new ATOM 0 HE3 LYS A 18 23.750 -17.858 -22.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 22.347 -16.723 -23.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.897 -18.252 -24.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 20.962 -17.494 -22.970 1.00 0.00 H new ATOM 272 N ILE A 19 27.890 -20.094 -23.003 1.00 0.00 N ATOM 273 CA ILE A 19 28.989 -19.177 -22.659 1.00 0.00 C ATOM 274 C ILE A 19 29.349 -18.250 -23.827 1.00 0.00 C ATOM 275 O ILE A 19 29.722 -17.096 -23.642 1.00 0.00 O ATOM 276 CB ILE A 19 30.225 -19.868 -22.089 1.00 0.00 C ATOM 277 CG1 ILE A 19 31.328 -18.859 -21.793 1.00 0.00 C ATOM 278 CG2 ILE A 19 30.746 -20.956 -23.022 1.00 0.00 C ATOM 279 CD1 ILE A 19 31.977 -19.151 -20.448 1.00 0.00 C ATOM 0 H ILE A 19 28.142 -21.080 -23.076 1.00 0.00 H new ATOM 0 HA ILE A 19 28.600 -18.562 -21.848 1.00 0.00 H new ATOM 0 HB ILE A 19 29.923 -20.342 -21.155 1.00 0.00 H new ATOM 0 HG12 ILE A 19 32.081 -18.894 -22.581 1.00 0.00 H new ATOM 0 HG13 ILE A 19 30.914 -17.851 -21.792 1.00 0.00 H new ATOM 0 HG21 ILE A 19 31.626 -21.423 -22.580 1.00 0.00 H new ATOM 0 HG22 ILE A 19 29.972 -21.709 -23.171 1.00 0.00 H new ATOM 0 HG23 ILE A 19 31.013 -20.515 -23.982 1.00 0.00 H new ATOM 0 HD11 ILE A 19 32.762 -18.419 -20.256 1.00 0.00 H new ATOM 0 HD12 ILE A 19 31.225 -19.092 -19.661 1.00 0.00 H new ATOM 0 HD13 ILE A 19 32.410 -20.151 -20.462 1.00 0.00 H new ATOM 291 N PHE A 20 29.253 -18.756 -25.045 1.00 0.00 N ATOM 292 CA PHE A 20 29.347 -17.845 -26.197 1.00 0.00 C ATOM 293 C PHE A 20 28.209 -16.794 -26.206 1.00 0.00 C ATOM 294 O PHE A 20 28.143 -15.915 -27.061 1.00 0.00 O ATOM 295 CB PHE A 20 29.405 -18.601 -27.538 1.00 0.00 C ATOM 296 CG PHE A 20 30.157 -17.815 -28.600 1.00 0.00 C ATOM 297 CD1 PHE A 20 31.504 -17.678 -28.517 1.00 0.00 C ATOM 298 CD2 PHE A 20 29.472 -17.095 -29.521 1.00 0.00 C ATOM 299 CE1 PHE A 20 32.123 -16.662 -29.160 1.00 0.00 C ATOM 300 CE2 PHE A 20 30.086 -16.070 -30.163 1.00 0.00 C ATOM 301 CZ PHE A 20 31.400 -15.818 -29.931 1.00 0.00 C ATOM 0 H PHE A 20 29.117 -19.742 -25.268 1.00 0.00 H new ATOM 0 HA PHE A 20 30.290 -17.311 -26.081 1.00 0.00 H new ATOM 0 HB2 PHE A 20 29.889 -19.566 -27.390 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.392 -18.803 -27.885 1.00 0.00 H new ATOM 0 HD1 PHE A 20 32.083 -18.381 -27.937 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.443 -17.336 -29.743 1.00 0.00 H new ATOM 0 HE1 PHE A 20 33.189 -16.525 -29.058 1.00 0.00 H new ATOM 0 HE2 PHE A 20 29.531 -15.456 -30.857 1.00 0.00 H new ATOM 0 HZ PHE A 20 31.867 -14.945 -30.362 1.00 0.00 H new ATOM 311 N ASP A 21 27.237 -16.979 -25.322 1.00 0.00 N ATOM 312 CA ASP A 21 26.256 -15.912 -25.082 1.00 0.00 C ATOM 313 C ASP A 21 26.584 -15.050 -23.844 1.00 0.00 C ATOM 314 O ASP A 21 26.435 -13.828 -23.856 1.00 0.00 O ATOM 315 CB ASP A 21 24.842 -16.502 -24.997 1.00 0.00 C ATOM 316 CG ASP A 21 23.754 -15.500 -25.347 1.00 0.00 C ATOM 317 OD1 ASP A 21 23.768 -14.961 -26.475 1.00 0.00 O ATOM 318 OD2 ASP A 21 22.862 -15.268 -24.503 1.00 0.00 O ATOM 0 H ASP A 21 27.102 -17.827 -24.772 1.00 0.00 H new ATOM 0 HA ASP A 21 26.307 -15.234 -25.934 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.771 -17.356 -25.670 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.671 -16.876 -23.988 1.00 0.00 H new ATOM 323 N ILE A 22 27.027 -15.698 -22.768 1.00 0.00 N ATOM 324 CA ILE A 22 27.418 -14.922 -21.562 1.00 0.00 C ATOM 325 C ILE A 22 28.734 -14.157 -21.774 1.00 0.00 C ATOM 326 O ILE A 22 28.818 -12.944 -21.576 1.00 0.00 O ATOM 327 CB ILE A 22 27.501 -15.705 -20.211 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.154 -16.342 -19.824 1.00 0.00 C ATOM 329 CG2 ILE A 22 27.929 -14.761 -19.082 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.380 -17.557 -18.921 1.00 0.00 C ATOM 0 H ILE A 22 27.126 -16.710 -22.691 1.00 0.00 H new ATOM 0 HA ILE A 22 26.576 -14.238 -21.451 1.00 0.00 H new ATOM 0 HB ILE A 22 28.234 -16.499 -20.351 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.532 -15.609 -19.310 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.615 -16.643 -20.722 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.984 -15.316 -18.145 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.907 -14.339 -19.312 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.200 -13.956 -18.985 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.419 -17.997 -18.656 1.00 0.00 H new ATOM 0 HD12 ILE A 22 26.984 -18.295 -19.449 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.899 -17.245 -18.015 1.00 0.00 H new ATOM 342 N PHE A 23 29.771 -14.884 -22.161 1.00 0.00 N ATOM 343 CA PHE A 23 31.090 -14.249 -22.304 1.00 0.00 C ATOM 344 C PHE A 23 31.225 -13.412 -23.585 1.00 0.00 C ATOM 345 O PHE A 23 32.098 -12.550 -23.689 1.00 0.00 O ATOM 346 CB PHE A 23 32.248 -15.262 -22.315 1.00 0.00 C ATOM 347 CG PHE A 23 32.554 -15.820 -20.931 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.546 -16.077 -20.060 1.00 0.00 C ATOM 349 CD2 PHE A 23 33.825 -16.167 -20.602 1.00 0.00 C ATOM 350 CE1 PHE A 23 31.828 -16.415 -18.783 1.00 0.00 C ATOM 351 CE2 PHE A 23 34.104 -16.565 -19.334 1.00 0.00 C ATOM 352 CZ PHE A 23 33.094 -16.742 -18.443 1.00 0.00 C ATOM 0 H PHE A 23 29.739 -15.880 -22.377 1.00 0.00 H new ATOM 0 HA PHE A 23 31.156 -13.606 -21.427 1.00 0.00 H new ATOM 0 HB2 PHE A 23 32.000 -16.084 -22.987 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.141 -14.782 -22.714 1.00 0.00 H new ATOM 0 HD1 PHE A 23 30.519 -16.011 -20.387 1.00 0.00 H new ATOM 0 HD2 PHE A 23 34.609 -16.127 -21.344 1.00 0.00 H new ATOM 0 HE1 PHE A 23 31.046 -16.424 -18.038 1.00 0.00 H new ATOM 0 HE2 PHE A 23 35.127 -16.740 -19.035 1.00 0.00 H new ATOM 0 HZ PHE A 23 33.303 -17.144 -17.463 1.00 0.00 H new ATOM 362 N ASP A 24 30.373 -13.674 -24.581 1.00 0.00 N ATOM 363 CA ASP A 24 30.536 -12.990 -25.866 1.00 0.00 C ATOM 364 C ASP A 24 30.098 -11.491 -25.854 1.00 0.00 C ATOM 365 O ASP A 24 29.674 -10.934 -26.866 1.00 0.00 O ATOM 366 CB ASP A 24 29.787 -13.733 -26.978 1.00 0.00 C ATOM 367 CG ASP A 24 30.027 -13.153 -28.368 1.00 0.00 C ATOM 368 OD1 ASP A 24 31.201 -13.001 -28.767 1.00 0.00 O ATOM 369 OD2 ASP A 24 29.036 -12.851 -29.069 1.00 0.00 O ATOM 0 H ASP A 24 29.593 -14.329 -24.528 1.00 0.00 H new ATOM 0 HA ASP A 24 31.608 -13.000 -26.060 1.00 0.00 H new ATOM 0 HB2 ASP A 24 30.091 -14.780 -26.973 1.00 0.00 H new ATOM 0 HB3 ASP A 24 28.719 -13.710 -26.763 1.00 0.00 H new ATOM 437 N ASN A 29 33.370 -9.792 -28.943 1.00 0.00 N ATOM 438 CA ASN A 29 33.346 -10.726 -30.082 1.00 0.00 C ATOM 439 C ASN A 29 34.651 -11.498 -30.282 1.00 0.00 C ATOM 440 O ASN A 29 34.873 -12.110 -31.326 1.00 0.00 O ATOM 441 CB ASN A 29 32.857 -10.063 -31.387 1.00 0.00 C ATOM 442 CG ASN A 29 31.780 -10.892 -32.100 1.00 0.00 C ATOM 443 OD1 ASN A 29 31.954 -11.312 -33.242 1.00 0.00 O ATOM 444 ND2 ASN A 29 30.646 -11.126 -31.455 1.00 0.00 N ATOM 0 HA ASN A 29 32.604 -11.476 -29.809 1.00 0.00 H new ATOM 0 HB2 ASN A 29 32.459 -9.074 -31.161 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.704 -9.920 -32.058 1.00 0.00 H new ATOM 0 HD21 ASN A 29 29.904 -11.661 -31.906 1.00 0.00 H new ATOM 0 HD22 ASN A 29 30.516 -10.771 -30.508 1.00 0.00 H new ATOM 451 N ILE A 30 35.499 -11.506 -29.262 1.00 0.00 N ATOM 452 CA ILE A 30 36.722 -12.310 -29.337 1.00 0.00 C ATOM 453 C ILE A 30 37.119 -12.752 -27.915 1.00 0.00 C ATOM 454 O ILE A 30 37.723 -11.994 -27.159 1.00 0.00 O ATOM 455 CB ILE A 30 37.891 -11.625 -30.096 1.00 0.00 C ATOM 456 CG1 ILE A 30 38.187 -10.228 -29.504 1.00 0.00 C ATOM 457 CG2 ILE A 30 37.599 -11.525 -31.597 1.00 0.00 C ATOM 458 CD1 ILE A 30 39.011 -9.343 -30.446 1.00 0.00 C ATOM 0 H ILE A 30 35.374 -10.983 -28.395 1.00 0.00 H new ATOM 0 HA ILE A 30 36.502 -13.189 -29.943 1.00 0.00 H new ATOM 0 HB ILE A 30 38.777 -12.247 -29.969 1.00 0.00 H new ATOM 0 HG12 ILE A 30 37.245 -9.729 -29.276 1.00 0.00 H new ATOM 0 HG13 ILE A 30 38.723 -10.344 -28.562 1.00 0.00 H new ATOM 0 HG21 ILE A 30 38.437 -11.041 -32.099 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.458 -12.525 -32.008 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.694 -10.938 -31.753 1.00 0.00 H new ATOM 0 HD11 ILE A 30 39.187 -8.376 -29.976 1.00 0.00 H new ATOM 0 HD12 ILE A 30 39.967 -9.824 -30.654 1.00 0.00 H new ATOM 0 HD13 ILE A 30 38.466 -9.199 -31.379 1.00 0.00 H new ATOM 470 N ALA A 31 36.758 -13.979 -27.535 1.00 0.00 N ATOM 471 CA ALA A 31 37.036 -14.428 -26.154 1.00 0.00 C ATOM 472 C ALA A 31 38.440 -15.054 -25.995 1.00 0.00 C ATOM 473 O ALA A 31 38.754 -16.038 -26.661 1.00 0.00 O ATOM 474 CB ALA A 31 35.980 -15.420 -25.665 1.00 0.00 C ATOM 0 H ALA A 31 36.290 -14.662 -28.131 1.00 0.00 H new ATOM 0 HA ALA A 31 37.000 -13.528 -25.540 1.00 0.00 H new ATOM 0 HB1 ALA A 31 36.215 -15.729 -24.647 1.00 0.00 H new ATOM 0 HB2 ALA A 31 34.999 -14.945 -25.683 1.00 0.00 H new ATOM 0 HB3 ALA A 31 35.972 -16.294 -26.317 1.00 0.00 H new ATOM 480 N PRO A 32 39.272 -14.588 -25.047 1.00 0.00 N ATOM 481 CA PRO A 32 40.680 -15.021 -25.060 1.00 0.00 C ATOM 482 C PRO A 32 40.954 -16.205 -24.108 1.00 0.00 C ATOM 483 O PRO A 32 40.043 -16.809 -23.540 1.00 0.00 O ATOM 484 CB PRO A 32 41.454 -13.758 -24.650 1.00 0.00 C ATOM 485 CG PRO A 32 40.448 -12.809 -24.001 1.00 0.00 C ATOM 486 CD PRO A 32 39.070 -13.253 -24.477 1.00 0.00 C ATOM 0 HA PRO A 32 40.980 -15.402 -26.036 1.00 0.00 H new ATOM 0 HB2 PRO A 32 42.255 -14.006 -23.954 1.00 0.00 H new ATOM 0 HB3 PRO A 32 41.919 -13.292 -25.519 1.00 0.00 H new ATOM 0 HG2 PRO A 32 40.517 -12.854 -22.914 1.00 0.00 H new ATOM 0 HG3 PRO A 32 40.645 -11.777 -24.290 1.00 0.00 H new ATOM 0 HD2 PRO A 32 38.358 -13.281 -23.652 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.669 -12.564 -25.220 1.00 0.00 H new ATOM 494 N VAL A 33 42.234 -16.563 -23.968 1.00 0.00 N ATOM 495 CA VAL A 33 42.608 -17.643 -23.007 1.00 0.00 C ATOM 496 C VAL A 33 42.052 -17.414 -21.592 1.00 0.00 C ATOM 497 O VAL A 33 41.547 -18.337 -20.950 1.00 0.00 O ATOM 498 CB VAL A 33 44.134 -17.905 -22.891 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.500 -19.252 -23.517 1.00 0.00 C ATOM 500 CG2 VAL A 33 44.970 -16.792 -23.533 1.00 0.00 C ATOM 0 H VAL A 33 43.013 -16.148 -24.479 1.00 0.00 H new ATOM 0 HA VAL A 33 42.143 -18.525 -23.448 1.00 0.00 H new ATOM 0 HB VAL A 33 44.368 -17.922 -21.826 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.574 -19.416 -23.425 1.00 0.00 H new ATOM 0 HG12 VAL A 33 43.965 -20.050 -23.002 1.00 0.00 H new ATOM 0 HG13 VAL A 33 44.222 -19.251 -24.571 1.00 0.00 H new ATOM 0 HG21 VAL A 33 46.029 -17.024 -23.424 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.722 -16.715 -24.592 1.00 0.00 H new ATOM 0 HG23 VAL A 33 44.754 -15.844 -23.040 1.00 0.00 H new ATOM 510 N SER A 34 42.179 -16.192 -21.080 1.00 0.00 N ATOM 511 CA SER A 34 41.595 -15.898 -19.760 1.00 0.00 C ATOM 512 C SER A 34 40.093 -16.211 -19.693 1.00 0.00 C ATOM 513 O SER A 34 39.584 -16.709 -18.687 1.00 0.00 O ATOM 514 CB SER A 34 41.866 -14.461 -19.303 1.00 0.00 C ATOM 515 OG SER A 34 41.253 -13.539 -20.198 1.00 0.00 O ATOM 0 H SER A 34 42.659 -15.413 -21.531 1.00 0.00 H new ATOM 0 HA SER A 34 42.102 -16.568 -19.066 1.00 0.00 H new ATOM 0 HB2 SER A 34 41.479 -14.313 -18.295 1.00 0.00 H new ATOM 0 HB3 SER A 34 42.940 -14.281 -19.262 1.00 0.00 H new ATOM 0 HG SER A 34 41.430 -12.623 -19.897 1.00 0.00 H new ATOM 521 N ASP A 35 39.380 -15.917 -20.777 1.00 0.00 N ATOM 522 CA ASP A 35 37.984 -16.355 -20.859 1.00 0.00 C ATOM 523 C ASP A 35 37.844 -17.887 -20.810 1.00 0.00 C ATOM 524 O ASP A 35 36.944 -18.408 -20.160 1.00 0.00 O ATOM 525 CB ASP A 35 37.241 -15.755 -22.062 1.00 0.00 C ATOM 526 CG ASP A 35 36.755 -14.337 -21.779 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.540 -13.523 -21.246 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.589 -14.026 -22.105 1.00 0.00 O ATOM 0 H ASP A 35 39.726 -15.398 -21.584 1.00 0.00 H new ATOM 0 HA ASP A 35 37.498 -15.962 -19.966 1.00 0.00 H new ATOM 0 HB2 ASP A 35 37.901 -15.746 -22.929 1.00 0.00 H new ATOM 0 HB3 ASP A 35 36.390 -16.387 -22.315 1.00 0.00 H new ATOM 533 N THR A 36 38.748 -18.621 -21.465 1.00 0.00 N ATOM 534 CA THR A 36 38.742 -20.094 -21.321 1.00 0.00 C ATOM 535 C THR A 36 38.928 -20.547 -19.852 1.00 0.00 C ATOM 536 O THR A 36 38.362 -21.553 -19.422 1.00 0.00 O ATOM 537 CB THR A 36 39.747 -20.787 -22.276 1.00 0.00 C ATOM 538 OG1 THR A 36 39.498 -20.362 -23.609 1.00 0.00 O ATOM 539 CG2 THR A 36 39.646 -22.320 -22.244 1.00 0.00 C ATOM 0 H THR A 36 39.471 -18.246 -22.079 1.00 0.00 H new ATOM 0 HA THR A 36 37.748 -20.423 -21.624 1.00 0.00 H new ATOM 0 HB THR A 36 40.744 -20.505 -21.938 1.00 0.00 H new ATOM 0 HG1 THR A 36 38.552 -20.500 -23.825 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.374 -22.747 -22.933 1.00 0.00 H new ATOM 0 HG22 THR A 36 39.849 -22.677 -21.234 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.643 -22.625 -22.542 1.00 0.00 H new ATOM 547 N MET A 37 39.682 -19.779 -19.057 1.00 0.00 N ATOM 548 CA MET A 37 39.837 -20.139 -17.637 1.00 0.00 C ATOM 549 C MET A 37 38.572 -19.855 -16.816 1.00 0.00 C ATOM 550 O MET A 37 38.000 -20.754 -16.198 1.00 0.00 O ATOM 551 CB MET A 37 41.043 -19.467 -16.959 1.00 0.00 C ATOM 552 CG MET A 37 42.315 -19.534 -17.806 1.00 0.00 C ATOM 553 SD MET A 37 42.623 -21.230 -18.322 1.00 0.00 S ATOM 554 CE MET A 37 43.269 -20.898 -19.967 1.00 0.00 C ATOM 0 H MET A 37 40.177 -18.938 -19.353 1.00 0.00 H new ATOM 0 HA MET A 37 40.017 -21.214 -17.652 1.00 0.00 H new ATOM 0 HB2 MET A 37 40.803 -18.424 -16.754 1.00 0.00 H new ATOM 0 HB3 MET A 37 41.227 -19.947 -15.998 1.00 0.00 H new ATOM 0 HG2 MET A 37 42.213 -18.892 -18.681 1.00 0.00 H new ATOM 0 HG3 MET A 37 43.163 -19.160 -17.233 1.00 0.00 H new ATOM 0 HE1 MET A 37 42.555 -21.244 -20.715 1.00 0.00 H new ATOM 0 HE2 MET A 37 43.428 -19.826 -20.086 1.00 0.00 H new ATOM 0 HE3 MET A 37 44.216 -21.422 -20.099 1.00 0.00 H new ATOM 564 N ASP A 38 38.144 -18.591 -16.781 1.00 0.00 N ATOM 565 CA ASP A 38 36.871 -18.277 -16.101 1.00 0.00 C ATOM 566 C ASP A 38 35.700 -19.114 -16.639 1.00 0.00 C ATOM 567 O ASP A 38 34.816 -19.551 -15.898 1.00 0.00 O ATOM 568 CB ASP A 38 36.534 -16.781 -16.166 1.00 0.00 C ATOM 569 CG ASP A 38 37.370 -15.973 -15.187 1.00 0.00 C ATOM 570 OD1 ASP A 38 38.523 -15.622 -15.518 1.00 0.00 O ATOM 571 OD2 ASP A 38 36.873 -15.684 -14.077 1.00 0.00 O ATOM 0 H ASP A 38 38.630 -17.795 -17.194 1.00 0.00 H new ATOM 0 HA ASP A 38 37.018 -18.544 -15.054 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.703 -16.414 -17.178 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.476 -16.636 -15.947 1.00 0.00 H new ATOM 576 N MET A 39 35.700 -19.320 -17.952 1.00 0.00 N ATOM 577 CA MET A 39 34.753 -20.258 -18.562 1.00 0.00 C ATOM 578 C MET A 39 34.725 -21.614 -17.874 1.00 0.00 C ATOM 579 O MET A 39 33.715 -22.022 -17.309 1.00 0.00 O ATOM 580 CB MET A 39 35.099 -20.450 -20.045 1.00 0.00 C ATOM 581 CG MET A 39 34.269 -21.533 -20.753 1.00 0.00 C ATOM 582 SD MET A 39 35.382 -22.677 -21.593 1.00 0.00 S ATOM 583 CE MET A 39 34.257 -23.383 -22.811 1.00 0.00 C ATOM 0 H MET A 39 36.332 -18.861 -18.608 1.00 0.00 H new ATOM 0 HA MET A 39 33.761 -19.820 -18.448 1.00 0.00 H new ATOM 0 HB2 MET A 39 34.957 -19.502 -20.565 1.00 0.00 H new ATOM 0 HB3 MET A 39 36.155 -20.705 -20.130 1.00 0.00 H new ATOM 0 HG2 MET A 39 33.655 -22.069 -20.029 1.00 0.00 H new ATOM 0 HG3 MET A 39 33.588 -21.075 -21.471 1.00 0.00 H new ATOM 0 HE1 MET A 39 34.792 -23.552 -23.746 1.00 0.00 H new ATOM 0 HE2 MET A 39 33.867 -24.331 -22.440 1.00 0.00 H new ATOM 0 HE3 MET A 39 33.430 -22.694 -22.985 1.00 0.00 H new ATOM 593 N LEU A 40 35.853 -22.308 -17.894 1.00 0.00 N ATOM 594 CA LEU A 40 35.851 -23.679 -17.373 1.00 0.00 C ATOM 595 C LEU A 40 35.730 -23.767 -15.843 1.00 0.00 C ATOM 596 O LEU A 40 35.479 -24.834 -15.285 1.00 0.00 O ATOM 597 CB LEU A 40 36.992 -24.496 -17.985 1.00 0.00 C ATOM 598 CG LEU A 40 36.911 -24.440 -19.523 1.00 0.00 C ATOM 599 CD1 LEU A 40 38.255 -24.750 -20.161 1.00 0.00 C ATOM 600 CD2 LEU A 40 35.861 -25.417 -20.044 1.00 0.00 C ATOM 0 H LEU A 40 36.748 -21.970 -18.247 1.00 0.00 H new ATOM 0 HA LEU A 40 34.928 -24.154 -17.705 1.00 0.00 H new ATOM 0 HB2 LEU A 40 37.952 -24.105 -17.648 1.00 0.00 H new ATOM 0 HB3 LEU A 40 36.933 -25.530 -17.646 1.00 0.00 H new ATOM 0 HG LEU A 40 36.624 -23.425 -19.796 1.00 0.00 H new ATOM 0 HD11 LEU A 40 38.162 -24.702 -21.246 1.00 0.00 H new ATOM 0 HD12 LEU A 40 38.993 -24.021 -19.827 1.00 0.00 H new ATOM 0 HD13 LEU A 40 38.575 -25.750 -19.868 1.00 0.00 H new ATOM 0 HD21 LEU A 40 35.820 -25.361 -21.132 1.00 0.00 H new ATOM 0 HD22 LEU A 40 36.125 -26.430 -19.742 1.00 0.00 H new ATOM 0 HD23 LEU A 40 34.886 -25.158 -19.631 1.00 0.00 H new ATOM 612 N THR A 41 35.871 -22.637 -15.157 1.00 0.00 N ATOM 613 CA THR A 41 35.485 -22.609 -13.742 1.00 0.00 C ATOM 614 C THR A 41 33.954 -22.493 -13.575 1.00 0.00 C ATOM 615 O THR A 41 33.366 -23.074 -12.663 1.00 0.00 O ATOM 616 CB THR A 41 36.206 -21.502 -12.955 1.00 0.00 C ATOM 617 OG1 THR A 41 37.604 -21.587 -13.199 1.00 0.00 O ATOM 618 CG2 THR A 41 35.965 -21.637 -11.449 1.00 0.00 C ATOM 0 H THR A 41 36.233 -21.761 -15.533 1.00 0.00 H new ATOM 0 HA THR A 41 35.803 -23.562 -13.319 1.00 0.00 H new ATOM 0 HB THR A 41 35.811 -20.542 -13.287 1.00 0.00 H new ATOM 0 HG1 THR A 41 37.793 -21.307 -14.119 1.00 0.00 H new ATOM 0 HG21 THR A 41 36.489 -20.839 -10.924 1.00 0.00 H new ATOM 0 HG22 THR A 41 34.897 -21.566 -11.244 1.00 0.00 H new ATOM 0 HG23 THR A 41 36.337 -22.602 -11.106 1.00 0.00 H new ATOM 626 N LYS A 42 33.301 -21.750 -14.472 1.00 0.00 N ATOM 627 CA LYS A 42 31.843 -21.593 -14.362 1.00 0.00 C ATOM 628 C LYS A 42 31.043 -22.646 -15.147 1.00 0.00 C ATOM 629 O LYS A 42 30.108 -23.248 -14.619 1.00 0.00 O ATOM 630 CB LYS A 42 31.384 -20.168 -14.702 1.00 0.00 C ATOM 631 CG LYS A 42 31.790 -19.179 -13.600 1.00 0.00 C ATOM 632 CD LYS A 42 31.476 -17.733 -14.006 1.00 0.00 C ATOM 633 CE LYS A 42 32.621 -17.115 -14.816 1.00 0.00 C ATOM 634 NZ LYS A 42 33.694 -16.654 -13.913 1.00 0.00 N ATOM 0 H LYS A 42 33.735 -21.263 -15.256 1.00 0.00 H new ATOM 0 HA LYS A 42 31.618 -21.771 -13.310 1.00 0.00 H new ATOM 0 HB2 LYS A 42 31.821 -19.859 -15.652 1.00 0.00 H new ATOM 0 HB3 LYS A 42 30.302 -20.152 -14.829 1.00 0.00 H new ATOM 0 HG2 LYS A 42 31.263 -19.423 -12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 42 32.856 -19.278 -13.394 1.00 0.00 H new ATOM 0 HD2 LYS A 42 30.559 -17.710 -14.595 1.00 0.00 H new ATOM 0 HD3 LYS A 42 31.296 -17.134 -13.113 1.00 0.00 H new ATOM 0 HE2 LYS A 42 33.017 -17.849 -15.518 1.00 0.00 H new ATOM 0 HE3 LYS A 42 32.248 -16.278 -15.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 34.213 -15.872 -14.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 33.278 -16.326 -13.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 34.349 -17.439 -13.723 1.00 0.00 H new ATOM 648 N LEU A 43 31.374 -22.845 -16.425 1.00 0.00 N ATOM 649 CA LEU A 43 30.764 -23.927 -17.196 1.00 0.00 C ATOM 650 C LEU A 43 30.710 -25.286 -16.470 1.00 0.00 C ATOM 651 O LEU A 43 29.770 -26.065 -16.635 1.00 0.00 O ATOM 652 CB LEU A 43 31.533 -24.040 -18.522 1.00 0.00 C ATOM 653 CG LEU A 43 30.673 -23.688 -19.729 1.00 0.00 C ATOM 654 CD1 LEU A 43 30.202 -22.243 -19.777 1.00 0.00 C ATOM 655 CD2 LEU A 43 31.475 -23.886 -21.003 1.00 0.00 C ATOM 0 H LEU A 43 32.050 -22.281 -16.940 1.00 0.00 H new ATOM 0 HA LEU A 43 29.717 -23.672 -17.357 1.00 0.00 H new ATOM 0 HB2 LEU A 43 32.400 -23.379 -18.493 1.00 0.00 H new ATOM 0 HB3 LEU A 43 31.911 -25.056 -18.633 1.00 0.00 H new ATOM 0 HG LEU A 43 29.805 -24.341 -19.642 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.597 -22.087 -20.670 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.604 -22.026 -18.892 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.066 -21.579 -19.803 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.857 -23.633 -21.865 1.00 0.00 H new ATOM 0 HD22 LEU A 43 32.353 -23.240 -20.984 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.791 -24.927 -21.076 1.00 0.00 H new ATOM 667 N GLY A 44 31.734 -25.582 -15.675 1.00 0.00 N ATOM 668 CA GLY A 44 31.699 -26.829 -14.907 1.00 0.00 C ATOM 669 C GLY A 44 32.920 -26.899 -14.000 1.00 0.00 C ATOM 670 O GLY A 44 32.887 -26.481 -12.843 1.00 0.00 O ATOM 0 H GLY A 44 32.566 -25.006 -15.545 1.00 0.00 H new ATOM 0 HA2 GLY A 44 30.787 -26.877 -14.312 1.00 0.00 H new ATOM 0 HA3 GLY A 44 31.684 -27.685 -15.582 1.00 0.00 H new ATOM 674 N GLN A 45 34.017 -27.401 -14.553 1.00 0.00 N ATOM 675 CA GLN A 45 35.247 -27.510 -13.746 1.00 0.00 C ATOM 676 C GLN A 45 36.407 -28.066 -14.584 1.00 0.00 C ATOM 677 O GLN A 45 36.821 -29.217 -14.432 1.00 0.00 O ATOM 678 CB GLN A 45 35.086 -28.342 -12.456 1.00 0.00 C ATOM 679 CG GLN A 45 36.270 -28.134 -11.502 1.00 0.00 C ATOM 680 CD GLN A 45 35.956 -28.667 -10.110 1.00 0.00 C ATOM 681 OE1 GLN A 45 36.033 -29.865 -9.842 1.00 0.00 O ATOM 682 NE2 GLN A 45 35.600 -27.778 -9.203 1.00 0.00 N ATOM 0 H GLN A 45 34.092 -27.730 -15.516 1.00 0.00 H new ATOM 0 HA GLN A 45 35.472 -26.491 -13.429 1.00 0.00 H new ATOM 0 HB2 GLN A 45 34.160 -28.062 -11.954 1.00 0.00 H new ATOM 0 HB3 GLN A 45 35.004 -29.399 -12.711 1.00 0.00 H new ATOM 0 HG2 GLN A 45 37.152 -28.639 -11.897 1.00 0.00 H new ATOM 0 HG3 GLN A 45 36.510 -27.072 -11.442 1.00 0.00 H new ATOM 0 HE21 GLN A 45 35.544 -26.790 -9.451 1.00 0.00 H new ATOM 0 HE22 GLN A 45 35.381 -28.078 -8.253 1.00 0.00 H new ATOM 691 N THR A 46 36.946 -27.241 -15.480 1.00 0.00 N ATOM 692 CA THR A 46 38.034 -27.722 -16.346 1.00 0.00 C ATOM 693 C THR A 46 37.540 -28.896 -17.235 1.00 0.00 C ATOM 694 O THR A 46 36.455 -28.810 -17.811 1.00 0.00 O ATOM 695 CB THR A 46 39.397 -27.867 -15.614 1.00 0.00 C ATOM 696 OG1 THR A 46 39.587 -29.212 -15.196 1.00 0.00 O ATOM 697 CG2 THR A 46 39.498 -26.959 -14.383 1.00 0.00 C ATOM 0 H THR A 46 36.665 -26.272 -15.627 1.00 0.00 H new ATOM 0 HA THR A 46 38.301 -26.949 -17.067 1.00 0.00 H new ATOM 0 HB THR A 46 40.167 -27.571 -16.326 1.00 0.00 H new ATOM 0 HG1 THR A 46 38.742 -29.571 -14.854 1.00 0.00 H new ATOM 0 HG21 THR A 46 40.469 -27.098 -13.907 1.00 0.00 H new ATOM 0 HG22 THR A 46 39.389 -25.918 -14.689 1.00 0.00 H new ATOM 0 HG23 THR A 46 38.708 -27.214 -13.677 1.00 0.00 H new ATOM 705 N TYR A 47 38.301 -29.982 -17.378 1.00 0.00 N ATOM 706 CA TYR A 47 37.786 -31.103 -18.165 1.00 0.00 C ATOM 707 C TYR A 47 38.374 -32.433 -17.646 1.00 0.00 C ATOM 708 O TYR A 47 38.157 -32.806 -16.492 1.00 0.00 O ATOM 709 CB TYR A 47 37.956 -30.883 -19.680 1.00 0.00 C ATOM 710 CG TYR A 47 36.667 -30.444 -20.365 1.00 0.00 C ATOM 711 CD1 TYR A 47 35.647 -31.322 -20.530 1.00 0.00 C ATOM 712 CD2 TYR A 47 36.534 -29.176 -20.831 1.00 0.00 C ATOM 713 CE1 TYR A 47 34.405 -30.852 -20.823 1.00 0.00 C ATOM 714 CE2 TYR A 47 35.298 -28.704 -21.147 1.00 0.00 C ATOM 715 CZ TYR A 47 34.231 -29.539 -21.111 1.00 0.00 C ATOM 716 OH TYR A 47 32.968 -29.045 -21.307 1.00 0.00 O ATOM 0 H TYR A 47 39.232 -30.109 -16.981 1.00 0.00 H new ATOM 0 HA TYR A 47 36.707 -31.164 -18.025 1.00 0.00 H new ATOM 0 HB2 TYR A 47 38.725 -30.130 -19.848 1.00 0.00 H new ATOM 0 HB3 TYR A 47 38.309 -31.807 -20.139 1.00 0.00 H new ATOM 0 HD1 TYR A 47 35.819 -32.383 -20.430 1.00 0.00 H new ATOM 0 HD2 TYR A 47 37.403 -28.546 -20.950 1.00 0.00 H new ATOM 0 HE1 TYR A 47 33.559 -31.523 -20.826 1.00 0.00 H new ATOM 0 HE2 TYR A 47 35.167 -27.669 -21.425 1.00 0.00 H new ATOM 0 HH TYR A 47 32.342 -29.501 -20.707 1.00 0.00 H new ATOM 726 N THR A 48 39.126 -33.153 -18.479 1.00 0.00 N ATOM 727 CA THR A 48 39.721 -34.414 -18.012 1.00 0.00 C ATOM 728 C THR A 48 41.058 -34.682 -18.711 1.00 0.00 C ATOM 729 O THR A 48 41.147 -34.690 -19.940 1.00 0.00 O ATOM 730 CB THR A 48 38.806 -35.640 -18.194 1.00 0.00 C ATOM 731 OG1 THR A 48 38.280 -35.647 -19.514 1.00 0.00 O ATOM 732 CG2 THR A 48 37.644 -35.631 -17.199 1.00 0.00 C ATOM 0 H THR A 48 39.335 -32.902 -19.445 1.00 0.00 H new ATOM 0 HA THR A 48 39.872 -34.278 -16.941 1.00 0.00 H new ATOM 0 HB THR A 48 39.406 -36.532 -18.014 1.00 0.00 H new ATOM 0 HG1 THR A 48 38.917 -35.218 -20.122 1.00 0.00 H new ATOM 0 HG21 THR A 48 37.021 -36.511 -17.359 1.00 0.00 H new ATOM 0 HG22 THR A 48 38.036 -35.643 -16.182 1.00 0.00 H new ATOM 0 HG23 THR A 48 37.046 -34.732 -17.346 1.00 0.00 H new ATOM 740 N LYS A 49 42.107 -34.915 -17.924 1.00 0.00 N ATOM 741 CA LYS A 49 43.417 -35.225 -18.527 1.00 0.00 C ATOM 742 C LYS A 49 44.117 -33.993 -19.131 1.00 0.00 C ATOM 743 O LYS A 49 43.519 -32.935 -19.332 1.00 0.00 O ATOM 744 CB LYS A 49 43.350 -36.394 -19.533 1.00 0.00 C ATOM 745 CG LYS A 49 44.617 -37.259 -19.511 1.00 0.00 C ATOM 746 CD LYS A 49 44.534 -38.358 -20.573 1.00 0.00 C ATOM 747 CE LYS A 49 45.868 -39.098 -20.715 1.00 0.00 C ATOM 748 NZ LYS A 49 46.839 -38.259 -21.442 1.00 0.00 N ATOM 0 H LYS A 49 42.088 -34.898 -16.904 1.00 0.00 H new ATOM 0 HA LYS A 49 44.041 -35.556 -17.697 1.00 0.00 H new ATOM 0 HB2 LYS A 49 42.485 -37.016 -19.305 1.00 0.00 H new ATOM 0 HB3 LYS A 49 43.202 -35.997 -20.537 1.00 0.00 H new ATOM 0 HG2 LYS A 49 45.493 -36.636 -19.692 1.00 0.00 H new ATOM 0 HG3 LYS A 49 44.742 -37.707 -18.525 1.00 0.00 H new ATOM 0 HD2 LYS A 49 43.750 -39.066 -20.306 1.00 0.00 H new ATOM 0 HD3 LYS A 49 44.255 -37.920 -21.531 1.00 0.00 H new ATOM 0 HE2 LYS A 49 46.260 -39.350 -19.729 1.00 0.00 H new ATOM 0 HE3 LYS A 49 45.717 -40.037 -21.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 47.549 -38.866 -21.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 46.342 -37.701 -22.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 47.312 -37.617 -20.774 1.00 0.00 H new ATOM 762 N ARG A 50 45.402 -34.144 -19.442 1.00 0.00 N ATOM 763 CA ARG A 50 46.155 -33.006 -19.999 1.00 0.00 C ATOM 764 C ARG A 50 45.790 -32.637 -21.458 1.00 0.00 C ATOM 765 O ARG A 50 46.221 -31.609 -21.984 1.00 0.00 O ATOM 766 CB ARG A 50 47.666 -33.250 -19.859 1.00 0.00 C ATOM 767 CG ARG A 50 48.493 -31.966 -20.047 1.00 0.00 C ATOM 768 CD ARG A 50 49.650 -32.183 -21.027 1.00 0.00 C ATOM 769 NE ARG A 50 49.126 -32.482 -22.368 1.00 0.00 N ATOM 770 CZ ARG A 50 49.915 -33.078 -23.250 1.00 0.00 C ATOM 771 NH1 ARG A 50 51.192 -32.757 -23.332 1.00 0.00 N ATOM 772 NH2 ARG A 50 49.415 -33.983 -24.065 1.00 0.00 N ATOM 0 H ARG A 50 45.935 -35.006 -19.327 1.00 0.00 H new ATOM 0 HA ARG A 50 45.859 -32.140 -19.407 1.00 0.00 H new ATOM 0 HB2 ARG A 50 47.873 -33.670 -18.875 1.00 0.00 H new ATOM 0 HB3 ARG A 50 47.980 -33.991 -20.594 1.00 0.00 H new ATOM 0 HG2 ARG A 50 47.849 -31.167 -20.414 1.00 0.00 H new ATOM 0 HG3 ARG A 50 48.886 -31.641 -19.084 1.00 0.00 H new ATOM 0 HD2 ARG A 50 50.278 -31.293 -21.063 1.00 0.00 H new ATOM 0 HD3 ARG A 50 50.280 -33.003 -20.683 1.00 0.00 H new ATOM 0 HE ARG A 50 48.168 -32.234 -22.616 1.00 0.00 H new ATOM 0 HH11 ARG A 50 51.580 -32.045 -22.713 1.00 0.00 H new ATOM 0 HH12 ARG A 50 51.792 -33.221 -24.014 1.00 0.00 H new ATOM 0 HH21 ARG A 50 48.425 -34.222 -24.016 1.00 0.00 H new ATOM 0 HH22 ARG A 50 50.018 -34.445 -24.746 1.00 0.00 H new ATOM 786 N GLU A 51 45.007 -33.473 -22.131 1.00 0.00 N ATOM 787 CA GLU A 51 44.609 -33.126 -23.504 1.00 0.00 C ATOM 788 C GLU A 51 43.544 -32.007 -23.557 1.00 0.00 C ATOM 789 O GLU A 51 43.535 -31.168 -24.461 1.00 0.00 O ATOM 790 CB GLU A 51 44.228 -34.367 -24.326 1.00 0.00 C ATOM 791 CG GLU A 51 45.464 -35.096 -24.878 1.00 0.00 C ATOM 792 CD GLU A 51 46.209 -35.861 -23.794 1.00 0.00 C ATOM 793 OE1 GLU A 51 45.775 -36.976 -23.436 1.00 0.00 O ATOM 794 OE2 GLU A 51 47.239 -35.353 -23.298 1.00 0.00 O ATOM 0 H GLU A 51 44.645 -34.358 -21.776 1.00 0.00 H new ATOM 0 HA GLU A 51 45.491 -32.703 -23.986 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.652 -35.051 -23.703 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.583 -34.070 -25.153 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.156 -35.787 -25.663 1.00 0.00 H new ATOM 0 HG3 GLU A 51 46.137 -34.372 -25.337 1.00 0.00 H new ATOM 801 N THR A 52 42.642 -31.961 -22.581 1.00 0.00 N ATOM 802 CA THR A 52 41.796 -30.770 -22.485 1.00 0.00 C ATOM 803 C THR A 52 42.609 -29.543 -22.025 1.00 0.00 C ATOM 804 O THR A 52 42.300 -28.402 -22.353 1.00 0.00 O ATOM 805 CB THR A 52 40.525 -30.979 -21.650 1.00 0.00 C ATOM 806 OG1 THR A 52 40.327 -32.362 -21.397 1.00 0.00 O ATOM 807 CG2 THR A 52 39.297 -30.470 -22.398 1.00 0.00 C ATOM 0 H THR A 52 42.480 -32.686 -21.882 1.00 0.00 H new ATOM 0 HA THR A 52 41.436 -30.570 -23.494 1.00 0.00 H new ATOM 0 HB THR A 52 40.652 -30.430 -20.717 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.117 -32.821 -22.237 1.00 0.00 H new ATOM 0 HG21 THR A 52 38.408 -30.628 -21.788 1.00 0.00 H new ATOM 0 HG22 THR A 52 39.411 -29.406 -22.604 1.00 0.00 H new ATOM 0 HG23 THR A 52 39.193 -31.012 -23.338 1.00 0.00 H new ATOM 815 N GLU A 53 43.684 -29.767 -21.279 1.00 0.00 N ATOM 816 CA GLU A 53 44.670 -28.682 -21.111 1.00 0.00 C ATOM 817 C GLU A 53 45.161 -28.171 -22.482 1.00 0.00 C ATOM 818 O GLU A 53 45.419 -26.984 -22.680 1.00 0.00 O ATOM 819 CB GLU A 53 45.863 -29.086 -20.240 1.00 0.00 C ATOM 820 CG GLU A 53 45.795 -28.453 -18.847 1.00 0.00 C ATOM 821 CD GLU A 53 44.685 -29.064 -18.003 1.00 0.00 C ATOM 822 OE1 GLU A 53 44.877 -30.178 -17.472 1.00 0.00 O ATOM 823 OE2 GLU A 53 43.616 -28.431 -17.866 1.00 0.00 O ATOM 0 H GLU A 53 43.899 -30.641 -20.798 1.00 0.00 H new ATOM 0 HA GLU A 53 44.153 -27.877 -20.589 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.891 -30.171 -20.144 1.00 0.00 H new ATOM 0 HB3 GLU A 53 46.789 -28.785 -20.730 1.00 0.00 H new ATOM 0 HG2 GLU A 53 46.751 -28.585 -18.341 1.00 0.00 H new ATOM 0 HG3 GLU A 53 45.630 -27.380 -18.943 1.00 0.00 H new ATOM 830 N ALA A 54 45.308 -29.101 -23.427 1.00 0.00 N ATOM 831 CA ALA A 54 45.498 -28.700 -24.834 1.00 0.00 C ATOM 832 C ALA A 54 44.392 -27.760 -25.321 1.00 0.00 C ATOM 833 O ALA A 54 44.665 -26.743 -25.962 1.00 0.00 O ATOM 834 CB ALA A 54 45.566 -29.883 -25.803 1.00 0.00 C ATOM 0 H ALA A 54 45.301 -30.107 -23.260 1.00 0.00 H new ATOM 0 HA ALA A 54 46.460 -28.187 -24.837 1.00 0.00 H new ATOM 0 HB1 ALA A 54 45.707 -29.514 -26.819 1.00 0.00 H new ATOM 0 HB2 ALA A 54 46.402 -30.528 -25.532 1.00 0.00 H new ATOM 0 HB3 ALA A 54 44.638 -30.451 -25.749 1.00 0.00 H new ATOM 840 N ILE A 55 43.129 -28.118 -25.039 1.00 0.00 N ATOM 841 CA ILE A 55 42.023 -27.148 -25.290 1.00 0.00 C ATOM 842 C ILE A 55 42.458 -25.737 -24.846 1.00 0.00 C ATOM 843 O ILE A 55 42.450 -24.776 -25.614 1.00 0.00 O ATOM 844 CB ILE A 55 40.653 -27.411 -24.574 1.00 0.00 C ATOM 845 CG1 ILE A 55 39.838 -28.552 -25.135 1.00 0.00 C ATOM 846 CG2 ILE A 55 39.801 -26.161 -24.651 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.444 -28.670 -24.515 1.00 0.00 C ATOM 0 H ILE A 55 42.845 -29.020 -24.657 1.00 0.00 H new ATOM 0 HA ILE A 55 41.848 -27.262 -26.360 1.00 0.00 H new ATOM 0 HB ILE A 55 40.918 -27.687 -23.553 1.00 0.00 H new ATOM 0 HG12 ILE A 55 39.738 -28.421 -26.212 1.00 0.00 H new ATOM 0 HG13 ILE A 55 40.378 -29.486 -24.976 1.00 0.00 H new ATOM 0 HG21 ILE A 55 38.847 -26.340 -24.154 1.00 0.00 H new ATOM 0 HG22 ILE A 55 40.318 -25.337 -24.159 1.00 0.00 H new ATOM 0 HG23 ILE A 55 39.624 -25.905 -25.696 1.00 0.00 H new ATOM 0 HD11 ILE A 55 37.915 -29.510 -24.965 1.00 0.00 H new ATOM 0 HD12 ILE A 55 38.536 -28.833 -23.441 1.00 0.00 H new ATOM 0 HD13 ILE A 55 37.886 -27.751 -24.696 1.00 0.00 H new ATOM 859 N MET A 56 42.817 -25.640 -23.572 1.00 0.00 N ATOM 860 CA MET A 56 43.187 -24.339 -22.998 1.00 0.00 C ATOM 861 C MET A 56 44.370 -23.658 -23.699 1.00 0.00 C ATOM 862 O MET A 56 44.380 -22.449 -23.927 1.00 0.00 O ATOM 863 CB MET A 56 43.475 -24.492 -21.499 1.00 0.00 C ATOM 864 CG MET A 56 42.191 -24.683 -20.686 1.00 0.00 C ATOM 865 SD MET A 56 41.105 -25.894 -21.470 1.00 0.00 S ATOM 866 CE MET A 56 41.038 -27.153 -20.183 1.00 0.00 C ATOM 0 H MET A 56 42.862 -26.425 -22.923 1.00 0.00 H new ATOM 0 HA MET A 56 42.331 -23.683 -23.155 1.00 0.00 H new ATOM 0 HB2 MET A 56 44.134 -25.345 -21.342 1.00 0.00 H new ATOM 0 HB3 MET A 56 44.004 -23.610 -21.139 1.00 0.00 H new ATOM 0 HG2 MET A 56 42.440 -25.012 -19.677 1.00 0.00 H new ATOM 0 HG3 MET A 56 41.671 -23.730 -20.591 1.00 0.00 H new ATOM 0 HE1 MET A 56 40.462 -28.007 -20.539 1.00 0.00 H new ATOM 0 HE2 MET A 56 42.050 -27.475 -19.936 1.00 0.00 H new ATOM 0 HE3 MET A 56 40.562 -26.739 -19.294 1.00 0.00 H new ATOM 876 N LYS A 57 45.378 -24.453 -24.028 1.00 0.00 N ATOM 877 CA LYS A 57 46.543 -23.919 -24.746 1.00 0.00 C ATOM 878 C LYS A 57 46.195 -23.257 -26.090 1.00 0.00 C ATOM 879 O LYS A 57 46.624 -22.140 -26.384 1.00 0.00 O ATOM 880 CB LYS A 57 47.600 -25.026 -24.918 1.00 0.00 C ATOM 881 CG LYS A 57 48.811 -24.592 -25.762 1.00 0.00 C ATOM 882 CD LYS A 57 48.687 -25.064 -27.219 1.00 0.00 C ATOM 883 CE LYS A 57 48.860 -26.583 -27.344 1.00 0.00 C ATOM 884 NZ LYS A 57 48.236 -27.055 -28.594 1.00 0.00 N ATOM 0 H LYS A 57 45.421 -25.450 -23.818 1.00 0.00 H new ATOM 0 HA LYS A 57 46.953 -23.116 -24.134 1.00 0.00 H new ATOM 0 HB2 LYS A 57 47.947 -25.342 -23.934 1.00 0.00 H new ATOM 0 HB3 LYS A 57 47.134 -25.893 -25.385 1.00 0.00 H new ATOM 0 HG2 LYS A 57 48.901 -23.506 -25.738 1.00 0.00 H new ATOM 0 HG3 LYS A 57 49.723 -24.997 -25.325 1.00 0.00 H new ATOM 0 HD2 LYS A 57 47.712 -24.776 -27.612 1.00 0.00 H new ATOM 0 HD3 LYS A 57 49.438 -24.562 -27.829 1.00 0.00 H new ATOM 0 HE2 LYS A 57 49.919 -26.840 -27.336 1.00 0.00 H new ATOM 0 HE3 LYS A 57 48.405 -27.082 -26.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 48.326 -28.089 -28.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 47.229 -26.794 -28.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 48.712 -26.615 -29.407 1.00 0.00 H new ATOM 898 N GLU A 58 45.414 -23.948 -26.913 1.00 0.00 N ATOM 899 CA GLU A 58 45.102 -23.400 -28.249 1.00 0.00 C ATOM 900 C GLU A 58 43.894 -22.443 -28.290 1.00 0.00 C ATOM 901 O GLU A 58 43.781 -21.600 -29.181 1.00 0.00 O ATOM 902 CB GLU A 58 44.981 -24.504 -29.306 1.00 0.00 C ATOM 903 CG GLU A 58 43.960 -25.579 -28.906 1.00 0.00 C ATOM 904 CD GLU A 58 44.464 -26.974 -29.252 1.00 0.00 C ATOM 905 OE1 GLU A 58 45.585 -27.334 -28.825 1.00 0.00 O ATOM 906 OE2 GLU A 58 43.742 -27.720 -29.946 1.00 0.00 O ATOM 0 H GLU A 58 44.995 -24.853 -26.701 1.00 0.00 H new ATOM 0 HA GLU A 58 45.962 -22.779 -28.498 1.00 0.00 H new ATOM 0 HB2 GLU A 58 44.687 -24.063 -30.258 1.00 0.00 H new ATOM 0 HB3 GLU A 58 45.955 -24.969 -29.457 1.00 0.00 H new ATOM 0 HG2 GLU A 58 43.762 -25.516 -27.836 1.00 0.00 H new ATOM 0 HG3 GLU A 58 43.015 -25.394 -29.416 1.00 0.00 H new ATOM 913 N ALA A 59 42.980 -22.585 -27.332 1.00 0.00 N ATOM 914 CA ALA A 59 41.840 -21.652 -27.260 1.00 0.00 C ATOM 915 C ALA A 59 42.219 -20.162 -27.246 1.00 0.00 C ATOM 916 O ALA A 59 41.378 -19.296 -27.478 1.00 0.00 O ATOM 917 CB ALA A 59 40.931 -21.974 -26.074 1.00 0.00 C ATOM 0 H ALA A 59 42.996 -23.309 -26.614 1.00 0.00 H new ATOM 0 HA ALA A 59 41.301 -21.812 -28.194 1.00 0.00 H new ATOM 0 HB1 ALA A 59 40.101 -21.268 -26.050 1.00 0.00 H new ATOM 0 HB2 ALA A 59 40.543 -22.987 -26.178 1.00 0.00 H new ATOM 0 HB3 ALA A 59 41.500 -21.897 -25.148 1.00 0.00 H new ATOM 923 N ARG A 60 43.462 -19.849 -26.886 1.00 0.00 N ATOM 924 CA ARG A 60 43.967 -18.465 -27.162 1.00 0.00 C ATOM 925 C ARG A 60 43.557 -17.939 -28.564 1.00 0.00 C ATOM 926 O ARG A 60 42.676 -17.085 -28.663 1.00 0.00 O ATOM 927 CB ARG A 60 45.477 -18.371 -26.899 1.00 0.00 C ATOM 928 CG ARG A 60 46.040 -16.962 -27.148 1.00 0.00 C ATOM 929 CD ARG A 60 47.407 -17.028 -27.835 1.00 0.00 C ATOM 930 NE ARG A 60 47.236 -17.288 -29.274 1.00 0.00 N ATOM 931 CZ ARG A 60 48.276 -17.700 -29.990 1.00 0.00 C ATOM 932 NH1 ARG A 60 49.510 -17.407 -29.621 1.00 0.00 N ATOM 933 NH2 ARG A 60 48.075 -18.389 -31.094 1.00 0.00 N ATOM 0 H ARG A 60 44.121 -20.478 -26.428 1.00 0.00 H new ATOM 0 HA ARG A 60 43.476 -17.793 -26.459 1.00 0.00 H new ATOM 0 HB2 ARG A 60 45.680 -18.661 -25.868 1.00 0.00 H new ATOM 0 HB3 ARG A 60 45.997 -19.083 -27.539 1.00 0.00 H new ATOM 0 HG2 ARG A 60 45.346 -16.394 -27.767 1.00 0.00 H new ATOM 0 HG3 ARG A 60 46.131 -16.431 -26.201 1.00 0.00 H new ATOM 0 HD2 ARG A 60 47.943 -16.090 -27.688 1.00 0.00 H new ATOM 0 HD3 ARG A 60 48.012 -17.815 -27.384 1.00 0.00 H new ATOM 0 HE ARG A 60 46.327 -17.153 -29.717 1.00 0.00 H new ATOM 0 HH11 ARG A 60 49.673 -16.858 -28.777 1.00 0.00 H new ATOM 0 HH12 ARG A 60 50.300 -17.730 -30.180 1.00 0.00 H new ATOM 0 HH21 ARG A 60 47.124 -18.604 -31.395 1.00 0.00 H new ATOM 0 HH22 ARG A 60 48.870 -18.708 -31.648 1.00 0.00 H new ATOM 1031 N LYS A 67 44.767 -12.496 -30.211 1.00 0.00 N ATOM 1032 CA LYS A 67 44.864 -13.615 -29.264 1.00 0.00 C ATOM 1033 C LYS A 67 43.532 -13.956 -28.582 1.00 0.00 C ATOM 1034 O LYS A 67 43.436 -14.026 -27.355 1.00 0.00 O ATOM 1035 CB LYS A 67 45.960 -13.355 -28.218 1.00 0.00 C ATOM 1036 CG LYS A 67 47.349 -13.255 -28.865 1.00 0.00 C ATOM 1037 CD LYS A 67 48.287 -12.372 -28.037 1.00 0.00 C ATOM 1038 CE LYS A 67 48.083 -10.893 -28.374 1.00 0.00 C ATOM 1039 NZ LYS A 67 49.029 -10.067 -27.602 1.00 0.00 N ATOM 0 HA LYS A 67 45.136 -14.489 -29.856 1.00 0.00 H new ATOM 0 HB2 LYS A 67 45.740 -12.431 -27.683 1.00 0.00 H new ATOM 0 HB3 LYS A 67 45.958 -14.159 -27.482 1.00 0.00 H new ATOM 0 HG2 LYS A 67 47.779 -14.252 -28.965 1.00 0.00 H new ATOM 0 HG3 LYS A 67 47.255 -12.846 -29.871 1.00 0.00 H new ATOM 0 HD2 LYS A 67 48.104 -12.536 -26.975 1.00 0.00 H new ATOM 0 HD3 LYS A 67 49.322 -12.654 -28.229 1.00 0.00 H new ATOM 0 HE2 LYS A 67 48.232 -10.730 -29.441 1.00 0.00 H new ATOM 0 HE3 LYS A 67 47.059 -10.597 -28.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 48.885 -9.064 -27.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 48.867 -10.212 -26.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 50.004 -10.341 -27.840 1.00 0.00 H new ATOM 1053 N ASN A 68 42.491 -14.183 -29.378 1.00 0.00 N ATOM 1054 CA ASN A 68 41.193 -14.499 -28.778 1.00 0.00 C ATOM 1055 C ASN A 68 40.303 -15.209 -29.778 1.00 0.00 C ATOM 1056 O ASN A 68 40.385 -14.985 -30.988 1.00 0.00 O ATOM 1057 CB ASN A 68 40.413 -13.319 -28.166 1.00 0.00 C ATOM 1058 CG ASN A 68 41.061 -11.945 -28.350 1.00 0.00 C ATOM 1059 OD1 ASN A 68 41.351 -11.235 -27.390 1.00 0.00 O ATOM 1060 ND2 ASN A 68 41.271 -11.543 -29.588 1.00 0.00 N ATOM 0 H ASN A 68 42.512 -14.157 -30.397 1.00 0.00 H new ATOM 0 HA ASN A 68 41.452 -15.141 -27.936 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.416 -13.295 -28.607 1.00 0.00 H new ATOM 0 HB3 ASN A 68 40.285 -13.503 -27.099 1.00 0.00 H new ATOM 0 HD21 ASN A 68 41.682 -10.626 -29.764 1.00 0.00 H new ATOM 0 HD22 ASN A 68 41.023 -12.149 -30.370 1.00 0.00 H new ATOM 1067 N ILE A 69 39.424 -16.064 -29.277 1.00 0.00 N ATOM 1068 CA ILE A 69 38.532 -16.749 -30.207 1.00 0.00 C ATOM 1069 C ILE A 69 37.169 -16.096 -30.313 1.00 0.00 C ATOM 1070 O ILE A 69 36.369 -16.027 -29.379 1.00 0.00 O ATOM 1071 CB ILE A 69 38.399 -18.253 -30.048 1.00 0.00 C ATOM 1072 CG1 ILE A 69 37.607 -18.638 -28.783 1.00 0.00 C ATOM 1073 CG2 ILE A 69 39.791 -18.891 -30.087 1.00 0.00 C ATOM 1074 CD1 ILE A 69 37.776 -20.112 -28.412 1.00 0.00 C ATOM 0 H ILE A 69 39.308 -16.293 -28.290 1.00 0.00 H new ATOM 0 HA ILE A 69 39.061 -16.622 -31.152 1.00 0.00 H new ATOM 0 HB ILE A 69 37.816 -18.645 -30.882 1.00 0.00 H new ATOM 0 HG12 ILE A 69 37.935 -18.017 -27.950 1.00 0.00 H new ATOM 0 HG13 ILE A 69 36.550 -18.426 -28.942 1.00 0.00 H new ATOM 0 HG21 ILE A 69 39.699 -19.971 -29.973 1.00 0.00 H new ATOM 0 HG22 ILE A 69 40.268 -18.666 -31.041 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.398 -18.491 -29.275 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.198 -20.330 -27.514 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.422 -20.737 -29.232 1.00 0.00 H new ATOM 0 HD13 ILE A 69 38.829 -20.322 -28.225 1.00 0.00 H new ATOM 1086 N GLY A 70 36.936 -15.618 -31.506 1.00 0.00 N ATOM 1087 CA GLY A 70 35.660 -14.953 -31.787 1.00 0.00 C ATOM 1088 C GLY A 70 34.538 -15.953 -32.112 1.00 0.00 C ATOM 1089 O GLY A 70 34.537 -17.085 -31.629 1.00 0.00 O ATOM 0 H GLY A 70 37.585 -15.666 -32.291 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.369 -14.352 -30.926 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.787 -14.268 -32.625 1.00 0.00 H new ATOM 1093 N PRO A 71 33.525 -15.485 -32.857 1.00 0.00 N ATOM 1094 CA PRO A 71 32.301 -16.277 -33.089 1.00 0.00 C ATOM 1095 C PRO A 71 32.426 -17.813 -33.057 1.00 0.00 C ATOM 1096 O PRO A 71 31.764 -18.480 -32.261 1.00 0.00 O ATOM 1097 CB PRO A 71 31.784 -15.799 -34.454 1.00 0.00 C ATOM 1098 CG PRO A 71 32.652 -14.621 -34.900 1.00 0.00 C ATOM 1099 CD PRO A 71 33.790 -14.487 -33.893 1.00 0.00 C ATOM 0 HA PRO A 71 31.625 -16.102 -32.252 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.833 -16.607 -35.184 1.00 0.00 H new ATOM 0 HB3 PRO A 71 30.739 -15.497 -34.382 1.00 0.00 H new ATOM 0 HG2 PRO A 71 33.044 -14.791 -35.903 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.064 -13.704 -34.939 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.755 -14.663 -34.368 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.822 -13.483 -33.470 1.00 0.00 H new ATOM 1107 N GLU A 72 33.252 -18.387 -33.923 1.00 0.00 N ATOM 1108 CA GLU A 72 33.114 -19.832 -34.178 1.00 0.00 C ATOM 1109 C GLU A 72 34.081 -20.805 -33.471 1.00 0.00 C ATOM 1110 O GLU A 72 33.656 -21.881 -33.044 1.00 0.00 O ATOM 1111 CB GLU A 72 32.956 -20.134 -35.669 1.00 0.00 C ATOM 1112 CG GLU A 72 34.268 -19.954 -36.444 1.00 0.00 C ATOM 1113 CD GLU A 72 34.032 -20.046 -37.942 1.00 0.00 C ATOM 1114 OE1 GLU A 72 34.060 -21.169 -38.488 1.00 0.00 O ATOM 1115 OE2 GLU A 72 33.819 -18.994 -38.583 1.00 0.00 O ATOM 0 H GLU A 72 33.991 -17.912 -34.441 1.00 0.00 H new ATOM 0 HA GLU A 72 32.183 -20.062 -33.659 1.00 0.00 H new ATOM 0 HB2 GLU A 72 32.601 -21.157 -35.794 1.00 0.00 H new ATOM 0 HB3 GLU A 72 32.195 -19.478 -36.091 1.00 0.00 H new ATOM 0 HG2 GLU A 72 34.709 -18.987 -36.200 1.00 0.00 H new ATOM 0 HG3 GLU A 72 34.983 -20.717 -36.137 1.00 0.00 H new ATOM 1122 N GLU A 73 35.377 -20.488 -33.379 1.00 0.00 N ATOM 1123 CA GLU A 73 36.315 -21.465 -32.788 1.00 0.00 C ATOM 1124 C GLU A 73 35.869 -22.025 -31.428 1.00 0.00 C ATOM 1125 O GLU A 73 36.071 -23.198 -31.125 1.00 0.00 O ATOM 1126 CB GLU A 73 37.758 -20.931 -32.738 1.00 0.00 C ATOM 1127 CG GLU A 73 38.708 -21.845 -31.940 1.00 0.00 C ATOM 1128 CD GLU A 73 39.173 -23.027 -32.780 1.00 0.00 C ATOM 1129 OE1 GLU A 73 40.178 -22.886 -33.509 1.00 0.00 O ATOM 1130 OE2 GLU A 73 38.537 -24.100 -32.715 1.00 0.00 O ATOM 0 H GLU A 73 35.792 -19.609 -33.688 1.00 0.00 H new ATOM 0 HA GLU A 73 36.299 -22.314 -33.471 1.00 0.00 H new ATOM 0 HB2 GLU A 73 38.135 -20.822 -33.755 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.757 -19.937 -32.290 1.00 0.00 H new ATOM 0 HG2 GLU A 73 39.572 -21.271 -31.605 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.201 -22.208 -31.046 1.00 0.00 H new ATOM 1137 N TRP A 74 35.254 -21.192 -30.602 1.00 0.00 N ATOM 1138 CA TRP A 74 34.792 -21.678 -29.296 1.00 0.00 C ATOM 1139 C TRP A 74 33.793 -22.849 -29.399 1.00 0.00 C ATOM 1140 O TRP A 74 33.943 -23.873 -28.726 1.00 0.00 O ATOM 1141 CB TRP A 74 34.348 -20.463 -28.448 1.00 0.00 C ATOM 1142 CG TRP A 74 33.886 -20.739 -27.018 1.00 0.00 C ATOM 1143 CD1 TRP A 74 32.602 -20.291 -26.688 1.00 0.00 C ATOM 1144 CD2 TRP A 74 34.712 -20.276 -26.021 1.00 0.00 C ATOM 1145 NE1 TRP A 74 32.637 -19.392 -25.604 1.00 0.00 N ATOM 1146 CE2 TRP A 74 33.974 -19.405 -25.215 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.655 -21.082 -25.442 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 34.329 -19.229 -23.919 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 35.961 -20.911 -24.128 1.00 0.00 C ATOM 1150 CH2 TRP A 74 35.318 -19.981 -23.386 1.00 0.00 C ATOM 0 H TRP A 74 35.064 -20.209 -30.795 1.00 0.00 H new ATOM 0 HA TRP A 74 35.612 -22.151 -28.756 1.00 0.00 H new ATOM 0 HB2 TRP A 74 35.180 -19.760 -28.404 1.00 0.00 H new ATOM 0 HB3 TRP A 74 33.535 -19.963 -28.975 1.00 0.00 H new ATOM 0 HD1 TRP A 74 31.700 -20.595 -27.199 1.00 0.00 H new ATOM 0 HE1 TRP A 74 31.867 -18.859 -25.200 1.00 0.00 H new ATOM 0 HE3 TRP A 74 36.151 -21.846 -26.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 33.824 -18.491 -23.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.725 -21.524 -23.673 1.00 0.00 H new ATOM 0 HH2 TRP A 74 35.599 -19.837 -22.353 1.00 0.00 H new ATOM 1161 N LEU A 75 32.843 -22.760 -30.329 1.00 0.00 N ATOM 1162 CA LEU A 75 31.925 -23.895 -30.530 1.00 0.00 C ATOM 1163 C LEU A 75 32.533 -25.067 -31.292 1.00 0.00 C ATOM 1164 O LEU A 75 32.338 -26.220 -30.909 1.00 0.00 O ATOM 1165 CB LEU A 75 30.569 -23.469 -31.120 1.00 0.00 C ATOM 1166 CG LEU A 75 29.399 -23.726 -30.170 1.00 0.00 C ATOM 1167 CD1 LEU A 75 29.062 -25.220 -30.069 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.706 -23.153 -28.793 1.00 0.00 C ATOM 0 H LEU A 75 32.686 -21.954 -30.934 1.00 0.00 H new ATOM 0 HA LEU A 75 31.736 -24.270 -29.524 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.603 -22.408 -31.367 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.399 -24.008 -32.052 1.00 0.00 H new ATOM 0 HG LEU A 75 28.523 -23.223 -30.579 1.00 0.00 H new ATOM 0 HD11 LEU A 75 28.225 -25.359 -29.384 1.00 0.00 H new ATOM 0 HD12 LEU A 75 28.791 -25.599 -31.054 1.00 0.00 H new ATOM 0 HD13 LEU A 75 29.930 -25.764 -29.697 1.00 0.00 H new ATOM 0 HD21 LEU A 75 28.866 -23.342 -28.125 1.00 0.00 H new ATOM 0 HD22 LEU A 75 30.602 -23.628 -28.393 1.00 0.00 H new ATOM 0 HD23 LEU A 75 29.870 -22.079 -28.874 1.00 0.00 H new ATOM 1180 N THR A 76 33.251 -24.818 -32.383 1.00 0.00 N ATOM 1181 CA THR A 76 33.918 -25.952 -33.041 1.00 0.00 C ATOM 1182 C THR A 76 34.969 -26.628 -32.153 1.00 0.00 C ATOM 1183 O THR A 76 35.179 -27.837 -32.236 1.00 0.00 O ATOM 1184 CB THR A 76 34.493 -25.662 -34.430 1.00 0.00 C ATOM 1185 OG1 THR A 76 33.430 -25.469 -35.352 1.00 0.00 O ATOM 1186 CG2 THR A 76 35.395 -24.429 -34.443 1.00 0.00 C ATOM 0 H THR A 76 33.386 -23.904 -32.814 1.00 0.00 H new ATOM 0 HA THR A 76 33.098 -26.652 -33.202 1.00 0.00 H new ATOM 0 HB THR A 76 35.101 -26.521 -34.714 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.798 -25.282 -36.241 1.00 0.00 H new ATOM 0 HG21 THR A 76 35.776 -24.268 -35.451 1.00 0.00 H new ATOM 0 HG22 THR A 76 34.823 -23.556 -34.128 1.00 0.00 H new ATOM 0 HG23 THR A 76 36.230 -24.582 -33.759 1.00 0.00 H new ATOM 1194 N LEU A 77 35.628 -25.870 -31.281 1.00 0.00 N ATOM 1195 CA LEU A 77 36.552 -26.510 -30.349 1.00 0.00 C ATOM 1196 C LEU A 77 35.818 -27.377 -29.325 1.00 0.00 C ATOM 1197 O LEU A 77 36.189 -28.528 -29.089 1.00 0.00 O ATOM 1198 CB LEU A 77 37.487 -25.519 -29.652 1.00 0.00 C ATOM 1199 CG LEU A 77 38.468 -26.253 -28.728 1.00 0.00 C ATOM 1200 CD1 LEU A 77 39.826 -25.577 -28.763 1.00 0.00 C ATOM 1201 CD2 LEU A 77 37.959 -26.250 -27.292 1.00 0.00 C ATOM 0 H LEU A 77 35.547 -24.857 -31.199 1.00 0.00 H new ATOM 0 HA LEU A 77 37.180 -27.160 -30.958 1.00 0.00 H new ATOM 0 HB2 LEU A 77 38.040 -24.948 -30.398 1.00 0.00 H new ATOM 0 HB3 LEU A 77 36.901 -24.804 -29.074 1.00 0.00 H new ATOM 0 HG LEU A 77 38.555 -27.281 -29.080 1.00 0.00 H new ATOM 0 HD11 LEU A 77 40.513 -26.107 -28.103 1.00 0.00 H new ATOM 0 HD12 LEU A 77 40.215 -25.594 -29.781 1.00 0.00 H new ATOM 0 HD13 LEU A 77 39.727 -24.544 -28.429 1.00 0.00 H new ATOM 0 HD21 LEU A 77 38.669 -26.775 -26.653 1.00 0.00 H new ATOM 0 HD22 LEU A 77 37.852 -25.222 -26.946 1.00 0.00 H new ATOM 0 HD23 LEU A 77 36.992 -26.751 -27.248 1.00 0.00 H new ATOM 1213 N CYS A 78 34.768 -26.838 -28.703 1.00 0.00 N ATOM 1214 CA CYS A 78 34.049 -27.650 -27.714 1.00 0.00 C ATOM 1215 C CYS A 78 33.310 -28.803 -28.423 1.00 0.00 C ATOM 1216 O CYS A 78 33.154 -29.883 -27.854 1.00 0.00 O ATOM 1217 CB CYS A 78 33.049 -26.652 -27.114 1.00 0.00 C ATOM 1218 SG CYS A 78 33.917 -25.586 -25.918 1.00 0.00 S ATOM 0 H CYS A 78 34.409 -25.895 -28.852 1.00 0.00 H new ATOM 0 HA CYS A 78 34.695 -28.109 -26.966 1.00 0.00 H new ATOM 0 HB2 CYS A 78 32.603 -26.047 -27.903 1.00 0.00 H new ATOM 0 HB3 CYS A 78 32.235 -27.185 -26.622 1.00 0.00 H new ATOM 0 HG CYS A 78 33.134 -24.613 -25.556 1.00 0.00 H new ATOM 1224 N SER A 79 32.881 -28.616 -29.674 1.00 0.00 N ATOM 1225 CA SER A 79 32.294 -29.748 -30.397 1.00 0.00 C ATOM 1226 C SER A 79 33.327 -30.835 -30.745 1.00 0.00 C ATOM 1227 O SER A 79 33.071 -32.026 -30.573 1.00 0.00 O ATOM 1228 CB SER A 79 31.494 -29.304 -31.625 1.00 0.00 C ATOM 1229 OG SER A 79 32.369 -29.048 -32.716 1.00 0.00 O ATOM 0 H SER A 79 32.924 -27.736 -30.188 1.00 0.00 H new ATOM 0 HA SER A 79 31.586 -30.207 -29.707 1.00 0.00 H new ATOM 0 HB2 SER A 79 30.776 -30.077 -31.899 1.00 0.00 H new ATOM 0 HB3 SER A 79 30.922 -28.406 -31.390 1.00 0.00 H new ATOM 0 HG SER A 79 33.194 -28.637 -32.384 1.00 0.00 H new ATOM 1235 N LYS A 80 34.512 -30.435 -31.210 1.00 0.00 N ATOM 1236 CA LYS A 80 35.543 -31.434 -31.532 1.00 0.00 C ATOM 1237 C LYS A 80 36.042 -32.190 -30.296 1.00 0.00 C ATOM 1238 O LYS A 80 36.206 -33.410 -30.317 1.00 0.00 O ATOM 1239 CB LYS A 80 36.729 -30.826 -32.302 1.00 0.00 C ATOM 1240 CG LYS A 80 36.555 -30.948 -33.821 1.00 0.00 C ATOM 1241 CD LYS A 80 35.587 -29.893 -34.365 1.00 0.00 C ATOM 1242 CE LYS A 80 34.983 -30.360 -35.686 1.00 0.00 C ATOM 1243 NZ LYS A 80 34.247 -29.261 -36.334 1.00 0.00 N ATOM 0 H LYS A 80 34.780 -29.464 -31.369 1.00 0.00 H new ATOM 0 HA LYS A 80 35.052 -32.156 -32.185 1.00 0.00 H new ATOM 0 HB2 LYS A 80 36.835 -29.775 -32.033 1.00 0.00 H new ATOM 0 HB3 LYS A 80 37.650 -31.326 -32.002 1.00 0.00 H new ATOM 0 HG2 LYS A 80 37.524 -30.839 -34.309 1.00 0.00 H new ATOM 0 HG3 LYS A 80 36.185 -31.943 -34.066 1.00 0.00 H new ATOM 0 HD2 LYS A 80 34.794 -29.709 -33.640 1.00 0.00 H new ATOM 0 HD3 LYS A 80 36.112 -28.949 -34.511 1.00 0.00 H new ATOM 0 HE2 LYS A 80 35.772 -30.717 -36.348 1.00 0.00 H new ATOM 0 HE3 LYS A 80 34.312 -31.200 -35.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 33.842 -29.596 -37.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 33.481 -28.939 -35.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 34.897 -28.471 -36.521 1.00 0.00 H new ATOM 1257 N TRP A 81 36.310 -31.463 -29.216 1.00 0.00 N ATOM 1258 CA TRP A 81 36.682 -32.142 -27.966 1.00 0.00 C ATOM 1259 C TRP A 81 35.574 -33.042 -27.410 1.00 0.00 C ATOM 1260 O TRP A 81 35.831 -34.117 -26.868 1.00 0.00 O ATOM 1261 CB TRP A 81 37.136 -31.152 -26.876 1.00 0.00 C ATOM 1262 CG TRP A 81 38.646 -31.057 -26.803 1.00 0.00 C ATOM 1263 CD1 TRP A 81 39.453 -30.860 -27.913 1.00 0.00 C ATOM 1264 CD2 TRP A 81 39.393 -31.689 -25.855 1.00 0.00 C ATOM 1265 NE1 TRP A 81 40.745 -31.376 -27.682 1.00 0.00 N ATOM 1266 CE2 TRP A 81 40.665 -31.888 -26.375 1.00 0.00 C ATOM 1267 CE3 TRP A 81 38.862 -32.585 -24.972 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 41.372 -32.980 -25.984 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 39.639 -33.582 -24.494 1.00 0.00 C ATOM 1270 CH2 TRP A 81 40.905 -33.744 -24.956 1.00 0.00 C ATOM 0 H TRP A 81 36.281 -30.444 -29.171 1.00 0.00 H new ATOM 0 HA TRP A 81 37.523 -32.780 -28.238 1.00 0.00 H new ATOM 0 HB2 TRP A 81 36.718 -30.166 -27.082 1.00 0.00 H new ATOM 0 HB3 TRP A 81 36.744 -31.469 -25.910 1.00 0.00 H new ATOM 0 HD1 TRP A 81 39.137 -30.379 -28.827 1.00 0.00 H new ATOM 0 HE1 TRP A 81 41.547 -31.377 -28.313 1.00 0.00 H new ATOM 0 HE3 TRP A 81 37.832 -32.498 -24.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 42.294 -33.240 -26.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 39.251 -34.253 -23.741 1.00 0.00 H new ATOM 0 HH2 TRP A 81 41.548 -34.485 -24.505 1.00 0.00 H new ATOM 1281 N VAL A 82 34.332 -32.598 -27.542 1.00 0.00 N ATOM 1282 CA VAL A 82 33.228 -33.379 -26.967 1.00 0.00 C ATOM 1283 C VAL A 82 32.643 -34.399 -27.961 1.00 0.00 C ATOM 1284 O VAL A 82 32.911 -35.597 -27.867 1.00 0.00 O ATOM 1285 CB VAL A 82 32.148 -32.477 -26.332 1.00 0.00 C ATOM 1286 CG1 VAL A 82 31.003 -33.309 -25.747 1.00 0.00 C ATOM 1287 CG2 VAL A 82 32.752 -31.621 -25.212 1.00 0.00 C ATOM 0 H VAL A 82 34.062 -31.738 -28.020 1.00 0.00 H new ATOM 0 HA VAL A 82 33.654 -33.968 -26.155 1.00 0.00 H new ATOM 0 HB VAL A 82 31.758 -31.835 -27.122 1.00 0.00 H new ATOM 0 HG11 VAL A 82 30.259 -32.645 -25.307 1.00 0.00 H new ATOM 0 HG12 VAL A 82 30.541 -33.899 -26.538 1.00 0.00 H new ATOM 0 HG13 VAL A 82 31.394 -33.976 -24.978 1.00 0.00 H new ATOM 0 HG21 VAL A 82 31.976 -30.992 -24.776 1.00 0.00 H new ATOM 0 HG22 VAL A 82 33.168 -32.270 -24.442 1.00 0.00 H new ATOM 0 HG23 VAL A 82 33.542 -30.992 -25.621 1.00 0.00 H new