USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 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 51 THR OG1 : rot -142:sc= 1.18 USER MOD Set 1.2: A 69 MET CE :methyl -157:sc= -1.77 (180deg=-3.18!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.132 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.455 K(o=-0.46,f=0.049) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0.532 (180deg=0.532) USER MOD Single : A 21 ASN : amide:sc= 0.124 X(o=0.12,f=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0924 USER MOD Single : A 25 HIS : no HE2:sc= -1.83 K(o=-1.8,f=-6.6!) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= 0.841 (180deg=0.689) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.615 USER MOD Single : A 44 CYS SG : rot 34:sc= 0.954 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 142:sc=-0.00743! (180deg=-5.6!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.797 K(o=0.8,f=-0.19) USER MOD Single : A 75 LYS NZ :NH3+ -122:sc= 0.742 (180deg=-1.76!) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -33.505 20.188 18.860 1.00 0.00 N ATOM 122 CA PRO A 9 -34.673 21.018 18.497 1.00 0.00 C ATOM 123 C PRO A 9 -35.479 20.377 17.356 1.00 0.00 C ATOM 124 O PRO A 9 -36.690 20.551 17.270 1.00 0.00 O ATOM 125 CB PRO A 9 -34.048 22.352 18.068 1.00 0.00 C ATOM 126 CG PRO A 9 -32.584 22.042 17.682 1.00 0.00 C ATOM 127 CD PRO A 9 -32.206 20.744 18.417 1.00 0.00 C ATOM 0 HA PRO A 9 -35.383 21.133 19.316 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -34.589 22.782 17.225 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -34.091 23.080 18.878 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -32.484 21.921 16.603 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -31.924 22.859 17.973 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -31.680 20.052 17.759 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -31.548 20.942 19.263 1.00 0.00 H new ATOM 135 N ILE A 10 -34.840 19.632 16.489 1.00 0.00 N ATOM 136 CA ILE A 10 -35.583 18.977 15.362 1.00 0.00 C ATOM 137 C ILE A 10 -36.706 18.093 15.929 1.00 0.00 C ATOM 138 O ILE A 10 -37.867 18.210 15.539 1.00 0.00 O ATOM 139 CB ILE A 10 -34.614 18.119 14.532 1.00 0.00 C ATOM 140 CG1 ILE A 10 -33.492 19.000 13.967 1.00 0.00 C ATOM 141 CG2 ILE A 10 -35.368 17.463 13.371 1.00 0.00 C ATOM 142 CD1 ILE A 10 -34.085 20.099 13.079 1.00 0.00 C ATOM 0 H ILE A 10 -33.837 19.448 16.510 1.00 0.00 H new ATOM 0 HA ILE A 10 -36.019 19.745 14.723 1.00 0.00 H new ATOM 0 HB ILE A 10 -34.186 17.349 15.174 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -32.924 19.447 14.783 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -32.796 18.391 13.390 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -34.678 16.856 12.785 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -36.163 16.830 13.765 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -35.801 18.236 12.735 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -33.281 20.719 12.682 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -34.633 19.644 12.254 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -34.763 20.716 13.668 1.00 0.00 H new ATOM 154 N SER A 11 -36.390 17.218 16.847 1.00 0.00 N ATOM 155 CA SER A 11 -37.446 16.339 17.440 1.00 0.00 C ATOM 156 C SER A 11 -38.341 17.166 18.375 1.00 0.00 C ATOM 157 O SER A 11 -39.561 17.032 18.363 1.00 0.00 O ATOM 158 CB SER A 11 -36.792 15.200 18.236 1.00 0.00 C ATOM 159 OG SER A 11 -35.378 15.390 18.263 1.00 0.00 O ATOM 0 H SER A 11 -35.449 17.073 17.213 1.00 0.00 H new ATOM 0 HA SER A 11 -38.049 15.917 16.637 1.00 0.00 H new ATOM 0 HB2 SER A 11 -37.186 15.179 19.252 1.00 0.00 H new ATOM 0 HB3 SER A 11 -37.032 14.239 17.781 1.00 0.00 H new ATOM 0 HG SER A 11 -34.960 14.664 18.772 1.00 0.00 H new ATOM 165 N GLN A 12 -37.758 18.015 19.186 1.00 0.00 N ATOM 166 CA GLN A 12 -38.574 18.846 20.130 1.00 0.00 C ATOM 167 C GLN A 12 -39.498 19.805 19.355 1.00 0.00 C ATOM 168 O GLN A 12 -40.675 19.939 19.683 1.00 0.00 O ATOM 169 CB GLN A 12 -37.633 19.634 21.049 1.00 0.00 C ATOM 170 CG GLN A 12 -37.012 18.673 22.073 1.00 0.00 C ATOM 171 CD GLN A 12 -36.511 19.451 23.289 1.00 0.00 C ATOM 172 OE1 GLN A 12 -35.506 20.142 23.218 1.00 0.00 O ATOM 173 NE2 GLN A 12 -37.159 19.370 24.410 1.00 0.00 N ATOM 0 H GLN A 12 -36.751 18.170 19.236 1.00 0.00 H new ATOM 0 HA GLN A 12 -39.203 18.190 20.731 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -36.851 20.116 20.463 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -38.182 20.425 21.560 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -37.750 17.934 22.384 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -36.187 18.127 21.616 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -37.999 18.794 24.473 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -36.829 19.882 25.228 1.00 0.00 H new ATOM 182 N VAL A 13 -39.008 20.462 18.330 1.00 0.00 N ATOM 183 CA VAL A 13 -39.892 21.387 17.545 1.00 0.00 C ATOM 184 C VAL A 13 -41.042 20.575 16.943 1.00 0.00 C ATOM 185 O VAL A 13 -42.211 20.958 17.025 1.00 0.00 O ATOM 186 CB VAL A 13 -39.076 22.082 16.434 1.00 0.00 C ATOM 187 CG1 VAL A 13 -38.940 21.181 15.204 1.00 0.00 C ATOM 188 CG2 VAL A 13 -39.775 23.378 16.018 1.00 0.00 C ATOM 0 H VAL A 13 -38.043 20.400 18.004 1.00 0.00 H new ATOM 0 HA VAL A 13 -40.298 22.159 18.199 1.00 0.00 H new ATOM 0 HB VAL A 13 -38.082 22.295 16.828 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -38.361 21.696 14.438 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -38.432 20.258 15.483 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -39.930 20.946 14.814 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -39.198 23.867 15.234 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -40.773 23.149 15.645 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -39.853 24.042 16.879 1.00 0.00 H new ATOM 198 N HIS A 14 -40.731 19.443 16.367 1.00 0.00 N ATOM 199 CA HIS A 14 -41.797 18.577 15.787 1.00 0.00 C ATOM 200 C HIS A 14 -42.728 18.135 16.922 1.00 0.00 C ATOM 201 O HIS A 14 -43.947 18.109 16.773 1.00 0.00 O ATOM 202 CB HIS A 14 -41.152 17.357 15.124 1.00 0.00 C ATOM 203 CG HIS A 14 -40.849 17.678 13.690 1.00 0.00 C ATOM 204 ND1 HIS A 14 -41.749 17.422 12.671 1.00 0.00 N ATOM 205 CD2 HIS A 14 -39.754 18.246 13.089 1.00 0.00 C ATOM 206 CE1 HIS A 14 -41.186 17.834 11.519 1.00 0.00 C ATOM 207 NE2 HIS A 14 -39.970 18.345 11.718 1.00 0.00 N ATOM 0 H HIS A 14 -39.782 19.081 16.274 1.00 0.00 H new ATOM 0 HA HIS A 14 -42.368 19.122 15.035 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -40.237 17.084 15.649 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -41.822 16.499 15.184 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -38.860 18.568 13.602 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -41.661 17.760 10.552 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -39.335 18.726 11.016 1.00 0.00 H new ATOM 215 N GLU A 15 -42.164 17.816 18.060 1.00 0.00 N ATOM 216 CA GLU A 15 -42.984 17.403 19.238 1.00 0.00 C ATOM 217 C GLU A 15 -43.946 18.537 19.608 1.00 0.00 C ATOM 218 O GLU A 15 -45.162 18.359 19.638 1.00 0.00 O ATOM 219 CB GLU A 15 -42.047 17.130 20.417 1.00 0.00 C ATOM 220 CG GLU A 15 -42.355 15.752 21.007 1.00 0.00 C ATOM 221 CD GLU A 15 -43.503 15.867 22.005 1.00 0.00 C ATOM 222 OE1 GLU A 15 -43.325 16.522 23.020 1.00 0.00 O ATOM 223 OE2 GLU A 15 -44.547 15.290 21.751 1.00 0.00 O ATOM 0 H GLU A 15 -41.157 17.825 18.224 1.00 0.00 H new ATOM 0 HA GLU A 15 -43.555 16.506 18.999 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -41.009 17.172 20.087 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -42.171 17.899 21.179 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -42.620 15.056 20.211 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -41.470 15.350 21.500 1.00 0.00 H new ATOM 230 N ILE A 16 -43.419 19.707 19.876 1.00 0.00 N ATOM 231 CA ILE A 16 -44.291 20.872 20.235 1.00 0.00 C ATOM 232 C ILE A 16 -45.363 21.066 19.153 1.00 0.00 C ATOM 233 O ILE A 16 -46.537 21.287 19.454 1.00 0.00 O ATOM 234 CB ILE A 16 -43.425 22.135 20.339 1.00 0.00 C ATOM 235 CG1 ILE A 16 -42.473 22.004 21.530 1.00 0.00 C ATOM 236 CG2 ILE A 16 -44.317 23.363 20.542 1.00 0.00 C ATOM 237 CD1 ILE A 16 -41.366 23.053 21.413 1.00 0.00 C ATOM 0 H ILE A 16 -42.419 19.907 19.862 1.00 0.00 H new ATOM 0 HA ILE A 16 -44.780 20.684 21.191 1.00 0.00 H new ATOM 0 HB ILE A 16 -42.852 22.251 19.419 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -43.020 22.139 22.463 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -42.040 21.004 21.556 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -43.696 24.256 20.615 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -44.997 23.462 19.696 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -44.894 23.246 21.460 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -40.687 22.961 22.261 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -40.813 22.897 20.487 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -41.808 24.049 21.408 1.00 0.00 H new ATOM 249 N GLY A 17 -44.984 20.981 17.901 1.00 0.00 N ATOM 250 CA GLY A 17 -45.979 21.150 16.794 1.00 0.00 C ATOM 251 C GLY A 17 -47.009 20.014 16.843 1.00 0.00 C ATOM 252 O GLY A 17 -48.212 20.244 16.743 1.00 0.00 O ATOM 0 H GLY A 17 -44.027 20.802 17.597 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -46.481 22.113 16.888 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -45.469 21.149 15.831 1.00 0.00 H new ATOM 256 N ILE A 18 -46.554 18.797 17.001 1.00 0.00 N ATOM 257 CA ILE A 18 -47.486 17.621 17.066 1.00 0.00 C ATOM 258 C ILE A 18 -48.284 17.650 18.382 1.00 0.00 C ATOM 259 O ILE A 18 -49.489 17.410 18.396 1.00 0.00 O ATOM 260 CB ILE A 18 -46.659 16.328 16.973 1.00 0.00 C ATOM 261 CG1 ILE A 18 -46.142 16.165 15.543 1.00 0.00 C ATOM 262 CG2 ILE A 18 -47.521 15.114 17.333 1.00 0.00 C ATOM 263 CD1 ILE A 18 -44.927 15.239 15.543 1.00 0.00 C ATOM 0 H ILE A 18 -45.565 18.562 17.089 1.00 0.00 H new ATOM 0 HA ILE A 18 -48.192 17.664 16.237 1.00 0.00 H new ATOM 0 HB ILE A 18 -45.825 16.392 17.672 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -46.926 15.754 14.906 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -45.872 17.137 15.130 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -46.920 14.207 17.262 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -47.895 15.223 18.351 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -48.362 15.047 16.642 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -44.558 15.123 14.524 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -44.142 15.668 16.166 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -45.212 14.264 15.939 1.00 0.00 H new ATOM 275 N LYS A 19 -47.639 17.940 19.483 1.00 0.00 N ATOM 276 CA LYS A 19 -48.357 17.992 20.796 1.00 0.00 C ATOM 277 C LYS A 19 -49.377 19.147 20.795 1.00 0.00 C ATOM 278 O LYS A 19 -50.372 19.114 21.517 1.00 0.00 O ATOM 279 CB LYS A 19 -47.334 18.208 21.919 1.00 0.00 C ATOM 280 CG LYS A 19 -47.504 17.123 22.988 1.00 0.00 C ATOM 281 CD LYS A 19 -46.367 17.235 24.011 1.00 0.00 C ATOM 282 CE LYS A 19 -46.237 15.924 24.792 1.00 0.00 C ATOM 283 NZ LYS A 19 -45.140 15.109 24.201 1.00 0.00 N ATOM 0 H LYS A 19 -46.641 18.144 19.531 1.00 0.00 H new ATOM 0 HA LYS A 19 -48.888 17.054 20.956 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -46.323 18.177 21.514 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -47.470 19.194 22.363 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -48.468 17.234 23.485 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -47.496 16.136 22.525 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -45.429 17.460 23.502 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -46.563 18.059 24.697 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -46.028 16.131 25.841 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -47.176 15.371 24.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -45.047 14.217 24.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -45.359 14.902 23.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -44.246 15.638 24.256 1.00 0.00 H new ATOM 297 N ARG A 20 -49.146 20.166 20.004 1.00 0.00 N ATOM 298 CA ARG A 20 -50.100 21.318 19.959 1.00 0.00 C ATOM 299 C ARG A 20 -51.013 21.200 18.726 1.00 0.00 C ATOM 300 O ARG A 20 -52.201 20.918 18.850 1.00 0.00 O ATOM 301 CB ARG A 20 -49.309 22.631 19.895 1.00 0.00 C ATOM 302 CG ARG A 20 -48.779 22.983 21.287 1.00 0.00 C ATOM 303 CD ARG A 20 -49.576 24.157 21.856 1.00 0.00 C ATOM 304 NE ARG A 20 -48.867 24.693 23.059 1.00 0.00 N ATOM 305 CZ ARG A 20 -49.496 25.429 23.912 1.00 0.00 C ATOM 306 NH1 ARG A 20 -50.166 24.876 24.863 1.00 0.00 N ATOM 307 NH2 ARG A 20 -49.451 26.713 23.807 1.00 0.00 N ATOM 0 H ARG A 20 -48.338 20.250 19.387 1.00 0.00 H new ATOM 0 HA ARG A 20 -50.718 21.308 20.857 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -48.480 22.534 19.194 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -49.947 23.433 19.525 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -48.861 22.120 21.948 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -47.722 23.241 21.230 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -49.683 24.938 21.104 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -50.581 23.834 22.125 1.00 0.00 H new ATOM 0 HE ARG A 20 -47.881 24.476 23.206 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -50.198 23.859 24.940 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -50.664 25.455 25.539 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -48.919 27.145 23.051 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -49.947 27.297 24.480 1.00 0.00 H new ATOM 321 N ASN A 21 -50.476 21.410 17.544 1.00 0.00 N ATOM 322 CA ASN A 21 -51.298 21.314 16.285 1.00 0.00 C ATOM 323 C ASN A 21 -50.515 21.884 15.086 1.00 0.00 C ATOM 324 O ASN A 21 -50.681 21.437 13.951 1.00 0.00 O ATOM 325 CB ASN A 21 -52.604 22.114 16.438 1.00 0.00 C ATOM 326 CG ASN A 21 -53.763 21.346 15.797 1.00 0.00 C ATOM 327 OD1 ASN A 21 -54.856 21.295 16.344 1.00 0.00 O ATOM 328 ND2 ASN A 21 -53.590 20.750 14.655 1.00 0.00 N ATOM 0 H ASN A 21 -49.495 21.646 17.394 1.00 0.00 H new ATOM 0 HA ASN A 21 -51.524 20.262 16.112 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -52.812 22.289 17.494 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -52.499 23.091 15.967 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -54.363 20.244 14.221 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -52.682 20.788 14.192 1.00 0.00 H new ATOM 335 N MET A 22 -49.691 22.877 15.311 1.00 0.00 N ATOM 336 CA MET A 22 -48.913 23.501 14.190 1.00 0.00 C ATOM 337 C MET A 22 -48.017 22.464 13.494 1.00 0.00 C ATOM 338 O MET A 22 -47.181 21.812 14.119 1.00 0.00 O ATOM 339 CB MET A 22 -48.040 24.629 14.752 1.00 0.00 C ATOM 340 CG MET A 22 -48.683 25.981 14.440 1.00 0.00 C ATOM 341 SD MET A 22 -49.232 26.755 15.979 1.00 0.00 S ATOM 342 CE MET A 22 -49.344 28.447 15.350 1.00 0.00 C ATOM 0 H MET A 22 -49.521 23.287 16.229 1.00 0.00 H new ATOM 0 HA MET A 22 -49.617 23.895 13.456 1.00 0.00 H new ATOM 0 HB2 MET A 22 -47.924 24.510 15.829 1.00 0.00 H new ATOM 0 HB3 MET A 22 -47.042 24.581 14.317 1.00 0.00 H new ATOM 0 HG2 MET A 22 -47.968 26.627 13.930 1.00 0.00 H new ATOM 0 HG3 MET A 22 -49.529 25.847 13.766 1.00 0.00 H new ATOM 0 HE1 MET A 22 -49.673 29.111 16.149 1.00 0.00 H new ATOM 0 HE2 MET A 22 -48.366 28.767 14.991 1.00 0.00 H new ATOM 0 HE3 MET A 22 -50.061 28.484 14.530 1.00 0.00 H new ATOM 352 N THR A 23 -48.167 22.314 12.204 1.00 0.00 N ATOM 353 CA THR A 23 -47.323 21.337 11.448 1.00 0.00 C ATOM 354 C THR A 23 -45.912 21.909 11.272 1.00 0.00 C ATOM 355 O THR A 23 -45.739 23.045 10.836 1.00 0.00 O ATOM 356 CB THR A 23 -47.939 21.081 10.065 1.00 0.00 C ATOM 357 OG1 THR A 23 -49.171 21.784 9.956 1.00 0.00 O ATOM 358 CG2 THR A 23 -48.192 19.585 9.886 1.00 0.00 C ATOM 0 H THR A 23 -48.841 22.828 11.637 1.00 0.00 H new ATOM 0 HA THR A 23 -47.274 20.401 12.004 1.00 0.00 H new ATOM 0 HB THR A 23 -47.251 21.428 9.294 1.00 0.00 H new ATOM 0 HG1 THR A 23 -49.563 21.622 9.073 1.00 0.00 H new ATOM 0 HG21 THR A 23 -48.629 19.405 8.904 1.00 0.00 H new ATOM 0 HG22 THR A 23 -47.249 19.044 9.968 1.00 0.00 H new ATOM 0 HG23 THR A 23 -48.878 19.237 10.658 1.00 0.00 H new ATOM 366 N VAL A 24 -44.905 21.147 11.604 1.00 0.00 N ATOM 367 CA VAL A 24 -43.500 21.643 11.456 1.00 0.00 C ATOM 368 C VAL A 24 -42.905 21.098 10.150 1.00 0.00 C ATOM 369 O VAL A 24 -42.720 19.889 9.988 1.00 0.00 O ATOM 370 CB VAL A 24 -42.663 21.163 12.650 1.00 0.00 C ATOM 371 CG1 VAL A 24 -41.211 21.603 12.475 1.00 0.00 C ATOM 372 CG2 VAL A 24 -43.213 21.773 13.939 1.00 0.00 C ATOM 0 H VAL A 24 -44.992 20.200 11.972 1.00 0.00 H new ATOM 0 HA VAL A 24 -43.494 22.733 11.428 1.00 0.00 H new ATOM 0 HB VAL A 24 -42.713 20.075 12.703 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -40.622 21.260 13.325 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -40.809 21.173 11.558 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -41.165 22.690 12.417 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -42.618 21.431 14.786 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -43.165 22.860 13.877 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -44.249 21.463 14.075 1.00 0.00 H new ATOM 382 N HIS A 25 -42.612 21.957 9.210 1.00 0.00 N ATOM 383 CA HIS A 25 -42.040 21.475 7.913 1.00 0.00 C ATOM 384 C HIS A 25 -40.777 22.275 7.554 1.00 0.00 C ATOM 385 O HIS A 25 -40.789 23.506 7.506 1.00 0.00 O ATOM 386 CB HIS A 25 -43.089 21.631 6.803 1.00 0.00 C ATOM 387 CG HIS A 25 -44.324 20.835 7.141 1.00 0.00 C ATOM 388 ND1 HIS A 25 -44.276 19.678 7.902 1.00 0.00 N ATOM 389 CD2 HIS A 25 -45.645 21.012 6.816 1.00 0.00 C ATOM 390 CE1 HIS A 25 -45.533 19.206 8.003 1.00 0.00 C ATOM 391 NE2 HIS A 25 -46.406 19.982 7.360 1.00 0.00 N ATOM 0 H HIS A 25 -42.742 22.966 9.281 1.00 0.00 H new ATOM 0 HA HIS A 25 -41.768 20.424 8.013 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -43.347 22.683 6.681 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -42.677 21.292 5.853 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -43.440 19.260 8.311 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -46.036 21.828 6.226 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -45.801 18.308 8.540 1.00 0.00 H new ATOM 399 N PHE A 26 -39.690 21.592 7.296 1.00 0.00 N ATOM 400 CA PHE A 26 -38.413 22.291 6.935 1.00 0.00 C ATOM 401 C PHE A 26 -38.141 22.146 5.428 1.00 0.00 C ATOM 402 O PHE A 26 -38.369 21.084 4.831 1.00 0.00 O ATOM 403 CB PHE A 26 -37.252 21.666 7.717 1.00 0.00 C ATOM 404 CG PHE A 26 -37.271 22.159 9.145 1.00 0.00 C ATOM 405 CD1 PHE A 26 -38.044 21.496 10.105 1.00 0.00 C ATOM 406 CD2 PHE A 26 -36.510 23.274 9.510 1.00 0.00 C ATOM 407 CE1 PHE A 26 -38.057 21.949 11.429 1.00 0.00 C ATOM 408 CE2 PHE A 26 -36.523 23.729 10.834 1.00 0.00 C ATOM 409 CZ PHE A 26 -37.296 23.066 11.794 1.00 0.00 C ATOM 0 H PHE A 26 -39.630 20.574 7.319 1.00 0.00 H new ATOM 0 HA PHE A 26 -38.503 23.348 7.185 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -37.332 20.579 7.697 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -36.304 21.925 7.246 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -38.631 20.634 9.824 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -35.912 23.785 8.770 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -38.654 21.437 12.169 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -35.937 24.591 11.114 1.00 0.00 H new ATOM 0 HZ PHE A 26 -37.305 23.416 12.816 1.00 0.00 H new ATOM 419 N LYS A 27 -37.648 23.182 4.801 1.00 0.00 N ATOM 420 CA LYS A 27 -37.349 23.112 3.336 1.00 0.00 C ATOM 421 C LYS A 27 -36.136 23.999 3.008 1.00 0.00 C ATOM 422 O LYS A 27 -36.058 25.155 3.419 1.00 0.00 O ATOM 423 CB LYS A 27 -38.567 23.597 2.540 1.00 0.00 C ATOM 424 CG LYS A 27 -39.626 22.491 2.474 1.00 0.00 C ATOM 425 CD LYS A 27 -39.147 21.371 1.542 1.00 0.00 C ATOM 426 CE LYS A 27 -39.712 20.030 2.015 1.00 0.00 C ATOM 427 NZ LYS A 27 -38.791 19.441 3.033 1.00 0.00 N ATOM 0 H LYS A 27 -37.438 24.078 5.241 1.00 0.00 H new ATOM 0 HA LYS A 27 -37.124 22.080 3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -38.987 24.486 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -38.263 23.881 1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -39.812 22.093 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -40.570 22.899 2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -39.469 21.572 0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -38.058 21.334 1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -40.705 20.171 2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -39.823 19.350 1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -39.312 18.757 3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -38.006 18.958 2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -38.413 20.198 3.638 1.00 0.00 H new ATOM 441 N VAL A 28 -35.193 23.480 2.270 1.00 0.00 N ATOM 442 CA VAL A 28 -33.987 24.289 1.905 1.00 0.00 C ATOM 443 C VAL A 28 -34.201 24.919 0.521 1.00 0.00 C ATOM 444 O VAL A 28 -34.898 24.365 -0.329 1.00 0.00 O ATOM 445 CB VAL A 28 -32.749 23.382 1.882 1.00 0.00 C ATOM 446 CG1 VAL A 28 -31.497 24.225 1.650 1.00 0.00 C ATOM 447 CG2 VAL A 28 -32.608 22.660 3.223 1.00 0.00 C ATOM 0 H VAL A 28 -35.203 22.529 1.902 1.00 0.00 H new ATOM 0 HA VAL A 28 -33.836 25.078 2.641 1.00 0.00 H new ATOM 0 HB VAL A 28 -32.863 22.654 1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -30.620 23.578 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -31.581 24.746 0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -31.395 24.954 2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -31.727 22.018 3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -32.501 23.394 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -33.495 22.053 3.404 1.00 0.00 H new ATOM 457 N LEU A 29 -33.629 26.070 0.279 1.00 0.00 N ATOM 458 CA LEU A 29 -33.814 26.738 -1.054 1.00 0.00 C ATOM 459 C LEU A 29 -32.580 26.504 -1.934 1.00 0.00 C ATOM 460 O LEU A 29 -32.685 26.071 -3.081 1.00 0.00 O ATOM 461 CB LEU A 29 -34.026 28.250 -0.862 1.00 0.00 C ATOM 462 CG LEU A 29 -34.810 28.521 0.424 1.00 0.00 C ATOM 463 CD1 LEU A 29 -34.855 30.024 0.685 1.00 0.00 C ATOM 464 CD2 LEU A 29 -36.238 27.998 0.276 1.00 0.00 C ATOM 0 H LEU A 29 -33.043 26.579 0.941 1.00 0.00 H new ATOM 0 HA LEU A 29 -34.691 26.310 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -33.062 28.756 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -34.565 28.659 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 29 -34.319 28.016 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -35.413 30.218 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -33.839 30.405 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -35.344 30.524 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -36.794 28.192 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -36.726 28.503 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -36.215 26.925 0.087 1.00 0.00 H new ATOM 476 N ARG A 30 -31.415 26.788 -1.421 1.00 0.00 N ATOM 477 CA ARG A 30 -30.169 26.586 -2.225 1.00 0.00 C ATOM 478 C ARG A 30 -28.999 26.225 -1.298 1.00 0.00 C ATOM 479 O ARG A 30 -28.780 26.867 -0.270 1.00 0.00 O ATOM 480 CB ARG A 30 -29.837 27.875 -2.989 1.00 0.00 C ATOM 481 CG ARG A 30 -30.680 27.963 -4.267 1.00 0.00 C ATOM 482 CD ARG A 30 -30.394 26.756 -5.164 1.00 0.00 C ATOM 483 NE ARG A 30 -30.253 27.216 -6.580 1.00 0.00 N ATOM 484 CZ ARG A 30 -29.437 26.619 -7.383 1.00 0.00 C ATOM 485 NH1 ARG A 30 -28.171 26.848 -7.297 1.00 0.00 N ATOM 486 NH2 ARG A 30 -29.892 25.795 -8.263 1.00 0.00 N ATOM 0 H ARG A 30 -31.268 27.152 -0.479 1.00 0.00 H new ATOM 0 HA ARG A 30 -30.329 25.772 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -30.030 28.742 -2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -28.777 27.894 -3.241 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -31.739 27.995 -4.013 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -30.452 28.886 -4.801 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -29.482 26.255 -4.840 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -31.202 26.029 -5.084 1.00 0.00 H new ATOM 0 HE ARG A 30 -30.805 28.006 -6.913 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -27.817 27.499 -6.596 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -27.524 26.378 -7.930 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -30.894 25.616 -8.324 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -29.250 25.322 -8.899 1.00 0.00 H new ATOM 631 N PHE A 40 -25.761 27.034 3.993 1.00 0.00 N ATOM 632 CA PHE A 40 -27.012 26.228 3.840 1.00 0.00 C ATOM 633 C PHE A 40 -28.213 27.019 4.381 1.00 0.00 C ATOM 634 O PHE A 40 -28.412 27.137 5.593 1.00 0.00 O ATOM 635 CB PHE A 40 -26.852 24.913 4.612 1.00 0.00 C ATOM 636 CG PHE A 40 -25.995 23.959 3.813 1.00 0.00 C ATOM 637 CD1 PHE A 40 -24.606 24.134 3.763 1.00 0.00 C ATOM 638 CD2 PHE A 40 -26.589 22.901 3.119 1.00 0.00 C ATOM 639 CE1 PHE A 40 -23.814 23.250 3.018 1.00 0.00 C ATOM 640 CE2 PHE A 40 -25.800 22.018 2.377 1.00 0.00 C ATOM 641 CZ PHE A 40 -24.412 22.192 2.325 1.00 0.00 C ATOM 0 HA PHE A 40 -27.187 26.012 2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -26.395 25.103 5.583 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -27.829 24.469 4.801 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -24.145 24.951 4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -27.660 22.766 3.156 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -22.743 23.385 2.979 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -26.262 21.200 1.843 1.00 0.00 H new ATOM 0 HZ PHE A 40 -23.803 21.510 1.750 1.00 0.00 H new ATOM 651 N ILE A 41 -29.018 27.567 3.507 1.00 0.00 N ATOM 652 CA ILE A 41 -30.205 28.355 3.970 1.00 0.00 C ATOM 653 C ILE A 41 -31.426 27.432 4.105 1.00 0.00 C ATOM 654 O ILE A 41 -32.178 27.219 3.152 1.00 0.00 O ATOM 655 CB ILE A 41 -30.516 29.473 2.965 1.00 0.00 C ATOM 656 CG1 ILE A 41 -29.234 30.234 2.619 1.00 0.00 C ATOM 657 CG2 ILE A 41 -31.521 30.448 3.582 1.00 0.00 C ATOM 658 CD1 ILE A 41 -28.836 29.933 1.173 1.00 0.00 C ATOM 0 H ILE A 41 -28.907 27.504 2.495 1.00 0.00 H new ATOM 0 HA ILE A 41 -29.978 28.796 4.940 1.00 0.00 H new ATOM 0 HB ILE A 41 -30.933 29.031 2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -29.388 31.305 2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -28.431 29.942 3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -31.742 31.242 2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -32.440 29.916 3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -31.098 30.882 4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -27.923 30.475 0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -28.665 28.863 1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -29.636 30.247 0.503 1.00 0.00 H new ATOM 670 N THR A 42 -31.641 26.886 5.273 1.00 0.00 N ATOM 671 CA THR A 42 -32.818 25.979 5.477 1.00 0.00 C ATOM 672 C THR A 42 -34.005 26.787 6.012 1.00 0.00 C ATOM 673 O THR A 42 -33.921 27.418 7.065 1.00 0.00 O ATOM 674 CB THR A 42 -32.460 24.880 6.485 1.00 0.00 C ATOM 675 OG1 THR A 42 -31.428 24.067 5.951 1.00 0.00 O ATOM 676 CG2 THR A 42 -33.684 24.007 6.754 1.00 0.00 C ATOM 0 H THR A 42 -31.055 27.026 6.096 1.00 0.00 H new ATOM 0 HA THR A 42 -33.085 25.524 4.523 1.00 0.00 H new ATOM 0 HB THR A 42 -32.127 25.344 7.414 1.00 0.00 H new ATOM 0 HG1 THR A 42 -31.198 23.366 6.595 1.00 0.00 H new ATOM 0 HG21 THR A 42 -33.425 23.228 7.471 1.00 0.00 H new ATOM 0 HG22 THR A 42 -34.487 24.622 7.161 1.00 0.00 H new ATOM 0 HG23 THR A 42 -34.015 23.548 5.823 1.00 0.00 H new ATOM 684 N ALA A 43 -35.110 26.773 5.317 1.00 0.00 N ATOM 685 CA ALA A 43 -36.310 27.531 5.787 1.00 0.00 C ATOM 686 C ALA A 43 -37.260 26.578 6.530 1.00 0.00 C ATOM 687 O ALA A 43 -37.191 25.358 6.372 1.00 0.00 O ATOM 688 CB ALA A 43 -37.024 28.141 4.575 1.00 0.00 C ATOM 0 H ALA A 43 -35.236 26.268 4.440 1.00 0.00 H new ATOM 0 HA ALA A 43 -36.003 28.327 6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -37.901 28.696 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -36.345 28.816 4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -37.335 27.346 3.898 1.00 0.00 H new ATOM 694 N CYS A 44 -38.139 27.105 7.341 1.00 0.00 N ATOM 695 CA CYS A 44 -39.083 26.222 8.093 1.00 0.00 C ATOM 696 C CYS A 44 -40.459 26.886 8.214 1.00 0.00 C ATOM 697 O CYS A 44 -40.581 28.108 8.323 1.00 0.00 O ATOM 698 CB CYS A 44 -38.532 25.941 9.500 1.00 0.00 C ATOM 699 SG CYS A 44 -37.296 27.187 9.952 1.00 0.00 S ATOM 0 H CYS A 44 -38.245 28.104 7.516 1.00 0.00 H new ATOM 0 HA CYS A 44 -39.185 25.285 7.545 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -39.346 25.947 10.225 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -38.085 24.947 9.531 1.00 0.00 H new ATOM 0 HG CYS A 44 -37.619 28.330 9.424 1.00 0.00 H new ATOM 705 N ILE A 45 -41.496 26.094 8.213 1.00 0.00 N ATOM 706 CA ILE A 45 -42.877 26.646 8.348 1.00 0.00 C ATOM 707 C ILE A 45 -43.555 26.000 9.565 1.00 0.00 C ATOM 708 O ILE A 45 -43.323 24.830 9.881 1.00 0.00 O ATOM 709 CB ILE A 45 -43.680 26.350 7.072 1.00 0.00 C ATOM 710 CG1 ILE A 45 -44.944 27.211 7.054 1.00 0.00 C ATOM 711 CG2 ILE A 45 -44.079 24.874 7.033 1.00 0.00 C ATOM 712 CD1 ILE A 45 -45.652 27.049 5.707 1.00 0.00 C ATOM 0 H ILE A 45 -41.447 25.079 8.124 1.00 0.00 H new ATOM 0 HA ILE A 45 -42.834 27.726 8.489 1.00 0.00 H new ATOM 0 HB ILE A 45 -43.062 26.579 6.204 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -45.610 26.915 7.865 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -44.687 28.257 7.218 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -44.648 24.675 6.125 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -43.182 24.254 7.043 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -44.692 24.640 7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -46.553 27.662 5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -44.985 27.366 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -45.923 26.003 5.562 1.00 0.00 H new ATOM 724 N VAL A 46 -44.375 26.740 10.257 1.00 0.00 N ATOM 725 CA VAL A 46 -45.064 26.183 11.459 1.00 0.00 C ATOM 726 C VAL A 46 -46.514 26.700 11.513 1.00 0.00 C ATOM 727 O VAL A 46 -46.786 27.835 11.912 1.00 0.00 O ATOM 728 CB VAL A 46 -44.284 26.593 12.721 1.00 0.00 C ATOM 729 CG1 VAL A 46 -44.326 28.111 12.909 1.00 0.00 C ATOM 730 CG2 VAL A 46 -44.896 25.918 13.947 1.00 0.00 C ATOM 0 H VAL A 46 -44.600 27.711 10.042 1.00 0.00 H new ATOM 0 HA VAL A 46 -45.094 25.095 11.403 1.00 0.00 H new ATOM 0 HB VAL A 46 -43.247 26.278 12.604 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -43.769 28.382 13.806 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -43.877 28.597 12.043 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -45.361 28.436 13.012 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -44.341 26.211 14.838 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -45.937 26.225 14.050 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -44.848 24.836 13.829 1.00 0.00 H new ATOM 740 N GLY A 47 -47.455 25.887 11.107 1.00 0.00 N ATOM 741 CA GLY A 47 -48.893 26.319 11.121 1.00 0.00 C ATOM 742 C GLY A 47 -49.093 27.507 10.173 1.00 0.00 C ATOM 743 O GLY A 47 -49.207 27.341 8.962 1.00 0.00 O ATOM 0 H GLY A 47 -47.293 24.940 10.765 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -49.533 25.490 10.819 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -49.188 26.597 12.133 1.00 0.00 H new ATOM 747 N SER A 48 -49.138 28.700 10.702 1.00 0.00 N ATOM 748 CA SER A 48 -49.330 29.908 9.835 1.00 0.00 C ATOM 749 C SER A 48 -48.106 30.836 9.922 1.00 0.00 C ATOM 750 O SER A 48 -48.167 31.998 9.522 1.00 0.00 O ATOM 751 CB SER A 48 -50.570 30.670 10.304 1.00 0.00 C ATOM 752 OG SER A 48 -50.446 30.948 11.696 1.00 0.00 O ATOM 0 H SER A 48 -49.050 28.895 11.699 1.00 0.00 H new ATOM 0 HA SER A 48 -49.454 29.583 8.802 1.00 0.00 H new ATOM 0 HB2 SER A 48 -50.676 31.598 9.743 1.00 0.00 H new ATOM 0 HB3 SER A 48 -51.467 30.080 10.117 1.00 0.00 H new ATOM 0 HG SER A 48 -51.237 31.438 12.003 1.00 0.00 H new ATOM 758 N ILE A 49 -47.000 30.355 10.431 1.00 0.00 N ATOM 759 CA ILE A 49 -45.780 31.215 10.540 1.00 0.00 C ATOM 760 C ILE A 49 -44.625 30.567 9.763 1.00 0.00 C ATOM 761 O ILE A 49 -44.497 29.346 9.716 1.00 0.00 O ATOM 762 CB ILE A 49 -45.389 31.359 12.019 1.00 0.00 C ATOM 763 CG1 ILE A 49 -46.540 32.005 12.801 1.00 0.00 C ATOM 764 CG2 ILE A 49 -44.141 32.236 12.149 1.00 0.00 C ATOM 765 CD1 ILE A 49 -46.825 33.407 12.251 1.00 0.00 C ATOM 0 H ILE A 49 -46.888 29.402 10.777 1.00 0.00 H new ATOM 0 HA ILE A 49 -45.989 32.200 10.122 1.00 0.00 H new ATOM 0 HB ILE A 49 -45.181 30.369 12.424 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -47.434 31.387 12.725 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -46.283 32.065 13.859 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -43.872 32.332 13.201 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -43.316 31.778 11.604 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -44.345 33.223 11.735 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -47.643 33.858 12.812 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -45.933 34.025 12.350 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -47.102 33.336 11.199 1.00 0.00 H new ATOM 777 N VAL A 50 -43.781 31.357 9.156 1.00 0.00 N ATOM 778 CA VAL A 50 -42.628 30.782 8.389 1.00 0.00 C ATOM 779 C VAL A 50 -41.344 31.522 8.776 1.00 0.00 C ATOM 780 O VAL A 50 -41.354 32.730 9.008 1.00 0.00 O ATOM 781 CB VAL A 50 -42.855 30.935 6.875 1.00 0.00 C ATOM 782 CG1 VAL A 50 -42.242 29.740 6.145 1.00 0.00 C ATOM 783 CG2 VAL A 50 -44.352 30.989 6.558 1.00 0.00 C ATOM 0 H VAL A 50 -43.836 32.376 9.155 1.00 0.00 H new ATOM 0 HA VAL A 50 -42.542 29.722 8.630 1.00 0.00 H new ATOM 0 HB VAL A 50 -42.385 31.862 6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -42.402 29.848 5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -41.172 29.698 6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -42.714 28.821 6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -44.492 31.097 5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -44.829 30.069 6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -44.802 31.839 7.070 1.00 0.00 H new ATOM 793 N THR A 51 -40.245 30.821 8.843 1.00 0.00 N ATOM 794 CA THR A 51 -38.950 31.479 9.215 1.00 0.00 C ATOM 795 C THR A 51 -37.789 30.826 8.451 1.00 0.00 C ATOM 796 O THR A 51 -37.749 29.607 8.270 1.00 0.00 O ATOM 797 CB THR A 51 -38.701 31.332 10.724 1.00 0.00 C ATOM 798 OG1 THR A 51 -39.937 31.364 11.425 1.00 0.00 O ATOM 799 CG2 THR A 51 -37.819 32.480 11.204 1.00 0.00 C ATOM 0 H THR A 51 -40.183 29.820 8.657 1.00 0.00 H new ATOM 0 HA THR A 51 -39.010 32.536 8.955 1.00 0.00 H new ATOM 0 HB THR A 51 -38.205 30.380 10.914 1.00 0.00 H new ATOM 0 HG1 THR A 51 -39.824 31.856 12.265 1.00 0.00 H new ATOM 0 HG21 THR A 51 -37.640 32.379 12.274 1.00 0.00 H new ATOM 0 HG22 THR A 51 -36.867 32.454 10.673 1.00 0.00 H new ATOM 0 HG23 THR A 51 -38.318 33.429 11.008 1.00 0.00 H new ATOM 807 N GLU A 52 -36.843 31.604 7.998 1.00 0.00 N ATOM 808 CA GLU A 52 -35.683 31.026 7.247 1.00 0.00 C ATOM 809 C GLU A 52 -34.471 30.874 8.183 1.00 0.00 C ATOM 810 O GLU A 52 -34.239 31.687 9.077 1.00 0.00 O ATOM 811 CB GLU A 52 -35.324 31.935 6.061 1.00 0.00 C ATOM 812 CG GLU A 52 -35.137 33.385 6.538 1.00 0.00 C ATOM 813 CD GLU A 52 -36.465 34.138 6.443 1.00 0.00 C ATOM 814 OE1 GLU A 52 -36.813 34.545 5.350 1.00 0.00 O ATOM 815 OE2 GLU A 52 -37.111 34.283 7.467 1.00 0.00 O ATOM 0 H GLU A 52 -36.820 32.617 8.114 1.00 0.00 H new ATOM 0 HA GLU A 52 -35.959 30.042 6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -34.409 31.580 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -36.112 31.891 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -34.776 33.395 7.566 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -34.382 33.883 5.930 1.00 0.00 H new ATOM 822 N GLY A 53 -33.697 29.835 8.003 1.00 0.00 N ATOM 823 CA GLY A 53 -32.507 29.617 8.885 1.00 0.00 C ATOM 824 C GLY A 53 -31.226 29.601 8.051 1.00 0.00 C ATOM 825 O GLY A 53 -30.693 28.541 7.720 1.00 0.00 O ATOM 0 H GLY A 53 -33.836 29.126 7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -32.452 30.406 9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -32.611 28.674 9.422 1.00 0.00 H new ATOM 829 N GLU A 54 -30.729 30.759 7.710 1.00 0.00 N ATOM 830 CA GLU A 54 -29.471 30.869 6.892 1.00 0.00 C ATOM 831 C GLU A 54 -28.259 30.328 7.674 1.00 0.00 C ATOM 832 O GLU A 54 -27.352 31.068 8.055 1.00 0.00 O ATOM 833 CB GLU A 54 -29.235 32.348 6.537 1.00 0.00 C ATOM 834 CG GLU A 54 -29.722 33.260 7.684 1.00 0.00 C ATOM 835 CD GLU A 54 -28.712 34.373 7.964 1.00 0.00 C ATOM 836 OE1 GLU A 54 -28.283 35.011 7.023 1.00 0.00 O ATOM 837 OE2 GLU A 54 -28.390 34.563 9.132 1.00 0.00 O ATOM 0 H GLU A 54 -31.145 31.655 7.966 1.00 0.00 H new ATOM 0 HA GLU A 54 -29.586 30.276 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -28.175 32.520 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -29.763 32.597 5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -30.686 33.696 7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -29.874 32.667 8.586 1.00 0.00 H new ATOM 844 N GLY A 55 -28.222 29.051 7.934 1.00 0.00 N ATOM 845 CA GLY A 55 -27.070 28.472 8.699 1.00 0.00 C ATOM 846 C GLY A 55 -25.806 28.421 7.826 1.00 0.00 C ATOM 847 O GLY A 55 -25.848 28.023 6.665 1.00 0.00 O ATOM 0 H GLY A 55 -28.936 28.380 7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -26.879 29.073 9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -27.322 27.468 9.041 1.00 0.00 H new ATOM 943 N LYS A 62 -30.395 24.180 9.706 1.00 0.00 N ATOM 944 CA LYS A 62 -31.231 23.010 10.128 1.00 0.00 C ATOM 945 C LYS A 62 -31.409 23.121 11.643 1.00 0.00 C ATOM 946 O LYS A 62 -32.521 23.264 12.144 1.00 0.00 O ATOM 947 CB LYS A 62 -30.540 21.685 9.757 1.00 0.00 C ATOM 948 CG LYS A 62 -31.587 20.584 9.549 1.00 0.00 C ATOM 949 CD LYS A 62 -31.160 19.685 8.379 1.00 0.00 C ATOM 950 CE LYS A 62 -29.753 19.129 8.626 1.00 0.00 C ATOM 951 NZ LYS A 62 -29.861 17.817 9.330 1.00 0.00 N ATOM 0 HA LYS A 62 -32.196 23.018 9.621 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -29.952 21.815 8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -29.847 21.394 10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -31.692 19.991 10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -32.561 21.028 9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -31.868 18.865 8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -31.176 20.253 7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -29.226 19.005 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -29.172 19.830 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -28.909 17.435 9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -30.348 17.950 10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -30.401 17.151 8.742 1.00 0.00 H new ATOM 965 N LYS A 63 -30.324 23.123 12.378 1.00 0.00 N ATOM 966 CA LYS A 63 -30.424 23.293 13.855 1.00 0.00 C ATOM 967 C LYS A 63 -30.855 24.743 14.131 1.00 0.00 C ATOM 968 O LYS A 63 -31.962 24.994 14.598 1.00 0.00 O ATOM 969 CB LYS A 63 -29.062 23.006 14.505 1.00 0.00 C ATOM 970 CG LYS A 63 -29.133 23.325 16.003 1.00 0.00 C ATOM 971 CD LYS A 63 -28.085 22.500 16.760 1.00 0.00 C ATOM 972 CE LYS A 63 -28.604 22.164 18.162 1.00 0.00 C ATOM 973 NZ LYS A 63 -28.390 23.330 19.069 1.00 0.00 N ATOM 0 H LYS A 63 -29.376 23.014 12.017 1.00 0.00 H new ATOM 0 HA LYS A 63 -31.152 22.599 14.275 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -28.790 21.961 14.357 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -28.287 23.608 14.031 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -28.959 24.389 16.166 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -30.129 23.103 16.385 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -27.867 21.583 16.213 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -27.152 23.058 16.832 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -29.664 21.915 18.118 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -28.086 21.288 18.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -29.201 23.422 19.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -27.522 23.184 19.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -28.298 24.198 18.503 1.00 0.00 H new ATOM 987 N ARG A 64 -30.010 25.701 13.813 1.00 0.00 N ATOM 988 CA ARG A 64 -30.367 27.145 14.022 1.00 0.00 C ATOM 989 C ARG A 64 -31.782 27.419 13.482 1.00 0.00 C ATOM 990 O ARG A 64 -32.558 28.161 14.080 1.00 0.00 O ATOM 991 CB ARG A 64 -29.354 28.029 13.275 1.00 0.00 C ATOM 992 CG ARG A 64 -29.726 29.511 13.457 1.00 0.00 C ATOM 993 CD ARG A 64 -28.812 30.401 12.603 1.00 0.00 C ATOM 994 NE ARG A 64 -29.610 31.540 12.040 1.00 0.00 N ATOM 995 CZ ARG A 64 -29.050 32.428 11.281 1.00 0.00 C ATOM 996 NH1 ARG A 64 -28.463 32.061 10.205 1.00 0.00 N ATOM 997 NH2 ARG A 64 -29.088 33.677 11.595 1.00 0.00 N ATOM 0 H ARG A 64 -29.084 25.543 13.416 1.00 0.00 H new ATOM 0 HA ARG A 64 -30.342 27.373 15.088 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -28.349 27.847 13.655 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -29.346 27.774 12.215 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -30.766 29.669 13.173 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -29.637 29.789 14.507 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -27.989 30.783 13.208 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -28.370 29.818 11.795 1.00 0.00 H new ATOM 0 HE ARG A 64 -30.604 31.616 12.257 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -28.438 31.074 9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -28.020 32.755 9.603 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -29.562 33.974 12.448 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -28.644 34.369 10.991 1.00 0.00 H new ATOM 1011 N ALA A 65 -32.128 26.828 12.363 1.00 0.00 N ATOM 1012 CA ALA A 65 -33.488 27.043 11.782 1.00 0.00 C ATOM 1013 C ALA A 65 -34.562 26.639 12.811 1.00 0.00 C ATOM 1014 O ALA A 65 -35.489 27.396 13.094 1.00 0.00 O ATOM 1015 CB ALA A 65 -33.641 26.192 10.515 1.00 0.00 C ATOM 0 H ALA A 65 -31.524 26.205 11.827 1.00 0.00 H new ATOM 0 HA ALA A 65 -33.612 28.096 11.529 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -34.633 26.348 10.090 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -32.884 26.484 9.787 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -33.515 25.139 10.767 1.00 0.00 H new ATOM 1021 N ALA A 66 -34.448 25.463 13.378 1.00 0.00 N ATOM 1022 CA ALA A 66 -35.458 25.013 14.386 1.00 0.00 C ATOM 1023 C ALA A 66 -35.264 25.769 15.711 1.00 0.00 C ATOM 1024 O ALA A 66 -36.221 26.287 16.286 1.00 0.00 O ATOM 1025 CB ALA A 66 -35.303 23.508 14.620 1.00 0.00 C ATOM 0 H ALA A 66 -33.700 24.796 13.187 1.00 0.00 H new ATOM 0 HA ALA A 66 -36.458 25.224 14.008 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -36.037 23.176 15.354 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -35.462 22.976 13.682 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -34.300 23.299 14.991 1.00 0.00 H new ATOM 1031 N GLU A 67 -34.049 25.849 16.202 1.00 0.00 N ATOM 1032 CA GLU A 67 -33.797 26.581 17.491 1.00 0.00 C ATOM 1033 C GLU A 67 -34.375 27.998 17.389 1.00 0.00 C ATOM 1034 O GLU A 67 -34.993 28.511 18.324 1.00 0.00 O ATOM 1035 CB GLU A 67 -32.286 26.667 17.766 1.00 0.00 C ATOM 1036 CG GLU A 67 -31.613 25.320 17.459 1.00 0.00 C ATOM 1037 CD GLU A 67 -30.493 25.045 18.457 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -29.390 25.513 18.226 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -30.736 24.333 19.417 1.00 0.00 O ATOM 0 H GLU A 67 -33.221 25.441 15.769 1.00 0.00 H new ATOM 0 HA GLU A 67 -34.277 26.041 18.307 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -31.842 27.452 17.154 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -32.113 26.939 18.807 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -32.351 24.519 17.502 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -31.211 25.330 16.446 1.00 0.00 H new ATOM 1046 N LYS A 68 -34.193 28.633 16.262 1.00 0.00 N ATOM 1047 CA LYS A 68 -34.730 30.012 16.071 1.00 0.00 C ATOM 1048 C LYS A 68 -36.265 29.993 16.176 1.00 0.00 C ATOM 1049 O LYS A 68 -36.848 30.718 16.980 1.00 0.00 O ATOM 1050 CB LYS A 68 -34.303 30.530 14.691 1.00 0.00 C ATOM 1051 CG LYS A 68 -34.642 32.020 14.558 1.00 0.00 C ATOM 1052 CD LYS A 68 -33.821 32.835 15.564 1.00 0.00 C ATOM 1053 CE LYS A 68 -34.719 33.259 16.726 1.00 0.00 C ATOM 1054 NZ LYS A 68 -34.014 34.300 17.533 1.00 0.00 N ATOM 0 H LYS A 68 -33.691 28.253 15.459 1.00 0.00 H new ATOM 0 HA LYS A 68 -34.335 30.671 16.844 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -33.232 30.379 14.553 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -34.808 29.963 13.909 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -34.432 32.360 13.544 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -35.706 32.176 14.733 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -32.985 32.241 15.934 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -33.398 33.714 15.078 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -35.663 33.651 16.348 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -34.959 32.398 17.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -34.619 34.594 18.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -33.124 33.909 17.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -33.807 35.123 16.932 1.00 0.00 H new ATOM 1068 N MET A 69 -36.923 29.174 15.392 1.00 0.00 N ATOM 1069 CA MET A 69 -38.420 29.104 15.450 1.00 0.00 C ATOM 1070 C MET A 69 -38.880 28.708 16.862 1.00 0.00 C ATOM 1071 O MET A 69 -39.873 29.219 17.382 1.00 0.00 O ATOM 1072 CB MET A 69 -38.914 28.066 14.438 1.00 0.00 C ATOM 1073 CG MET A 69 -40.250 28.525 13.848 1.00 0.00 C ATOM 1074 SD MET A 69 -40.833 27.292 12.664 1.00 0.00 S ATOM 1075 CE MET A 69 -41.433 28.454 11.410 1.00 0.00 C ATOM 0 H MET A 69 -36.489 28.549 14.713 1.00 0.00 H new ATOM 0 HA MET A 69 -38.834 30.083 15.209 1.00 0.00 H new ATOM 0 HB2 MET A 69 -38.178 27.938 13.644 1.00 0.00 H new ATOM 0 HB3 MET A 69 -39.032 27.097 14.923 1.00 0.00 H new ATOM 0 HG2 MET A 69 -40.985 28.660 14.642 1.00 0.00 H new ATOM 0 HG3 MET A 69 -40.131 29.491 13.357 1.00 0.00 H new ATOM 0 HE1 MET A 69 -42.184 27.964 10.790 1.00 0.00 H new ATOM 0 HE2 MET A 69 -41.876 29.321 11.900 1.00 0.00 H new ATOM 0 HE3 MET A 69 -40.600 28.777 10.785 1.00 0.00 H new ATOM 1085 N LEU A 70 -38.181 27.801 17.489 1.00 0.00 N ATOM 1086 CA LEU A 70 -38.571 27.359 18.861 1.00 0.00 C ATOM 1087 C LEU A 70 -38.605 28.550 19.834 1.00 0.00 C ATOM 1088 O LEU A 70 -39.528 28.675 20.638 1.00 0.00 O ATOM 1089 CB LEU A 70 -37.566 26.313 19.357 1.00 0.00 C ATOM 1090 CG LEU A 70 -37.857 24.962 18.698 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -36.944 23.898 19.300 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -39.313 24.570 18.946 1.00 0.00 C ATOM 0 H LEU A 70 -37.352 27.344 17.109 1.00 0.00 H new ATOM 0 HA LEU A 70 -39.570 26.926 18.819 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -36.550 26.631 19.122 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -37.629 26.220 20.441 1.00 0.00 H new ATOM 0 HG LEU A 70 -37.678 25.040 17.626 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -37.150 22.935 18.832 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -35.903 24.171 19.126 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -37.126 23.827 20.372 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -39.516 23.608 18.475 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -39.492 24.494 20.019 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -39.971 25.328 18.521 1.00 0.00 H new ATOM 1104 N VAL A 71 -37.625 29.418 19.799 1.00 0.00 N ATOM 1105 CA VAL A 71 -37.625 30.577 20.746 1.00 0.00 C ATOM 1106 C VAL A 71 -38.679 31.623 20.337 1.00 0.00 C ATOM 1107 O VAL A 71 -39.380 32.165 21.190 1.00 0.00 O ATOM 1108 CB VAL A 71 -36.232 31.220 20.794 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -35.232 30.232 21.388 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -35.771 31.604 19.390 1.00 0.00 C ATOM 0 H VAL A 71 -36.830 29.376 19.161 1.00 0.00 H new ATOM 0 HA VAL A 71 -37.881 30.206 21.739 1.00 0.00 H new ATOM 0 HB VAL A 71 -36.287 32.116 21.412 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -34.244 30.690 21.421 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -35.542 29.964 22.398 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -35.195 29.335 20.770 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -34.782 32.058 19.443 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -35.727 30.712 18.765 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -36.474 32.316 18.958 1.00 0.00 H new ATOM 1120 N GLU A 72 -38.819 31.920 19.067 1.00 0.00 N ATOM 1121 CA GLU A 72 -39.840 32.929 18.650 1.00 0.00 C ATOM 1122 C GLU A 72 -41.249 32.368 18.893 1.00 0.00 C ATOM 1123 O GLU A 72 -42.107 33.044 19.459 1.00 0.00 O ATOM 1124 CB GLU A 72 -39.654 33.289 17.169 1.00 0.00 C ATOM 1125 CG GLU A 72 -39.596 32.026 16.298 1.00 0.00 C ATOM 1126 CD GLU A 72 -38.865 32.329 14.986 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -37.759 32.849 15.047 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -39.420 32.026 13.943 1.00 0.00 O ATOM 0 H GLU A 72 -38.275 31.510 18.308 1.00 0.00 H new ATOM 0 HA GLU A 72 -39.713 33.835 19.243 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -40.476 33.925 16.840 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -38.737 33.864 17.043 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -39.083 31.228 16.834 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -40.605 31.672 16.088 1.00 0.00 H new ATOM 1135 N LEU A 73 -41.501 31.142 18.504 1.00 0.00 N ATOM 1136 CA LEU A 73 -42.853 30.544 18.744 1.00 0.00 C ATOM 1137 C LEU A 73 -43.147 30.539 20.248 1.00 0.00 C ATOM 1138 O LEU A 73 -44.277 30.754 20.676 1.00 0.00 O ATOM 1139 CB LEU A 73 -42.884 29.107 18.208 1.00 0.00 C ATOM 1140 CG LEU A 73 -42.880 29.127 16.680 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -42.924 27.696 16.157 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -44.108 29.883 16.176 1.00 0.00 C ATOM 0 H LEU A 73 -40.833 30.532 18.033 1.00 0.00 H new ATOM 0 HA LEU A 73 -43.609 31.136 18.228 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -42.021 28.553 18.576 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -43.773 28.592 18.572 1.00 0.00 H new ATOM 0 HG LEU A 73 -41.976 29.622 16.326 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -42.921 27.707 15.067 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -42.052 27.150 16.517 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -43.831 27.206 16.513 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -44.105 29.897 15.086 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -45.012 29.386 16.530 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -44.085 30.906 16.552 1.00 0.00 H new ATOM 1154 N GLN A 74 -42.147 30.310 21.059 1.00 0.00 N ATOM 1155 CA GLN A 74 -42.363 30.310 22.537 1.00 0.00 C ATOM 1156 C GLN A 74 -42.407 31.759 23.073 1.00 0.00 C ATOM 1157 O GLN A 74 -42.573 31.980 24.272 1.00 0.00 O ATOM 1158 CB GLN A 74 -41.223 29.538 23.213 1.00 0.00 C ATOM 1159 CG GLN A 74 -41.483 28.030 23.075 1.00 0.00 C ATOM 1160 CD GLN A 74 -40.267 27.234 23.553 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -40.335 26.525 24.546 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -39.154 27.305 22.892 1.00 0.00 N ATOM 0 H GLN A 74 -41.189 30.123 20.762 1.00 0.00 H new ATOM 0 HA GLN A 74 -43.315 29.829 22.761 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -40.269 29.798 22.754 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -41.156 29.813 24.266 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -42.361 27.751 23.658 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -41.700 27.785 22.035 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -39.090 27.895 22.062 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -38.342 26.771 23.202 1.00 0.00 H new ATOM 1171 N LYS A 75 -42.266 32.749 22.216 1.00 0.00 N ATOM 1172 CA LYS A 75 -42.305 34.173 22.688 1.00 0.00 C ATOM 1173 C LYS A 75 -43.541 34.909 22.134 1.00 0.00 C ATOM 1174 O LYS A 75 -43.801 36.057 22.515 1.00 0.00 O ATOM 1175 CB LYS A 75 -41.042 34.911 22.219 1.00 0.00 C ATOM 1176 CG LYS A 75 -40.868 36.207 23.029 1.00 0.00 C ATOM 1177 CD LYS A 75 -41.356 37.412 22.207 1.00 0.00 C ATOM 1178 CE LYS A 75 -41.884 38.505 23.148 1.00 0.00 C ATOM 1179 NZ LYS A 75 -43.291 38.185 23.558 1.00 0.00 N ATOM 0 H LYS A 75 -42.126 32.631 21.213 1.00 0.00 H new ATOM 0 HA LYS A 75 -42.357 34.163 23.777 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -40.168 34.272 22.345 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -41.118 35.142 21.156 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -41.429 36.141 23.961 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -39.820 36.340 23.297 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -40.540 37.805 21.601 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -42.142 37.100 21.520 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -41.246 38.579 24.029 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -41.852 39.474 22.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -43.919 38.968 23.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -43.601 37.312 23.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -43.331 38.052 24.589 1.00 0.00 H new ATOM 1193 N LEU A 76 -44.294 34.308 21.246 1.00 0.00 N ATOM 1194 CA LEU A 76 -45.487 35.012 20.689 1.00 0.00 C ATOM 1195 C LEU A 76 -46.656 34.947 21.690 1.00 0.00 C ATOM 1196 O LEU A 76 -47.255 33.889 21.825 1.00 0.00 O ATOM 1197 CB LEU A 76 -45.884 34.355 19.364 1.00 0.00 C ATOM 1198 CG LEU A 76 -44.940 34.829 18.258 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -44.953 33.821 17.113 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -45.401 36.191 17.738 1.00 0.00 C ATOM 1201 OXT LEU A 76 -46.930 35.966 22.307 1.00 0.00 O ATOM 0 H LEU A 76 -44.135 33.367 20.886 1.00 0.00 H new ATOM 0 HA LEU A 76 -45.243 36.060 20.514 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -45.838 33.270 19.456 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -46.913 34.611 19.113 1.00 0.00 H new ATOM 0 HG LEU A 76 -43.930 34.916 18.658 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -44.281 34.158 16.324 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -44.624 32.849 17.480 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -45.964 33.735 16.715 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -44.727 36.527 16.950 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -46.412 36.105 17.339 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -45.394 36.914 18.554 1.00 0.00 H new