USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 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 44 CYS SG : rot -164:sc= -3.35! USER MOD Set 1.2: A 69 MET CE :methyl 147:sc= -7.75! (180deg=-9.29!) USER MOD Set 2.1: A 22 MET CE :methyl 147:sc= -0.0242 (180deg=-1.47!) USER MOD Set 2.2: A 48 SER OG : rot -87:sc= -1.07! USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0.149 USER MOD Set 3.2: A 12 GLN : amide:sc= 0 X(o=0.15,f=-0.063) USER MOD Single : A 14 HIS : no HD1:sc= -0.64 X(o=-0.64,f=-0.38) USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 0.685 (180deg=0.663) USER MOD Single : A 21 ASN : amide:sc= -0.0615 K(o=-0.062,f=-1.7!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 25 HIS : no HE2:sc= -2.32! C(o=-2.3!,f=-8.8!) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0.498 (180deg=0.342) USER MOD Single : A 42 THR OG1 : rot 10:sc= -2.7! USER MOD Single : A 51 THR OG1 : rot -106:sc= -4.61! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 0.963 (180deg=0.732) USER MOD Single : A 74 GLN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0855) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -33.032 19.395 17.282 1.00 0.00 N ATOM 122 CA PRO A 9 -33.081 19.832 15.873 1.00 0.00 C ATOM 123 C PRO A 9 -34.482 19.633 15.260 1.00 0.00 C ATOM 124 O PRO A 9 -35.109 20.583 14.801 1.00 0.00 O ATOM 125 CB PRO A 9 -32.045 18.931 15.189 1.00 0.00 C ATOM 126 CG PRO A 9 -31.892 17.678 16.087 1.00 0.00 C ATOM 127 CD PRO A 9 -32.412 18.067 17.483 1.00 0.00 C ATOM 0 HA PRO A 9 -32.871 20.895 15.756 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -32.373 18.653 14.188 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -31.092 19.449 15.080 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -32.460 16.840 15.682 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -30.850 17.362 16.136 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -33.136 17.342 17.855 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -31.602 18.112 18.211 1.00 0.00 H new ATOM 135 N ILE A 10 -34.978 18.419 15.220 1.00 0.00 N ATOM 136 CA ILE A 10 -36.329 18.180 14.606 1.00 0.00 C ATOM 137 C ILE A 10 -37.166 17.212 15.465 1.00 0.00 C ATOM 138 O ILE A 10 -38.347 17.451 15.713 1.00 0.00 O ATOM 139 CB ILE A 10 -36.145 17.584 13.200 1.00 0.00 C ATOM 140 CG1 ILE A 10 -35.337 18.548 12.326 1.00 0.00 C ATOM 141 CG2 ILE A 10 -37.510 17.359 12.549 1.00 0.00 C ATOM 142 CD1 ILE A 10 -34.162 17.801 11.693 1.00 0.00 C ATOM 0 H ILE A 10 -34.512 17.587 15.582 1.00 0.00 H new ATOM 0 HA ILE A 10 -36.857 19.132 14.549 1.00 0.00 H new ATOM 0 HB ILE A 10 -35.616 16.635 13.290 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -35.973 18.971 11.549 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -34.971 19.380 12.927 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -37.373 16.937 11.553 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -38.095 16.670 13.158 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -38.037 18.310 12.470 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -33.587 18.487 11.071 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -33.521 17.399 12.478 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -34.539 16.984 11.078 1.00 0.00 H new ATOM 154 N SER A 11 -36.586 16.119 15.901 1.00 0.00 N ATOM 155 CA SER A 11 -37.342 15.110 16.725 1.00 0.00 C ATOM 156 C SER A 11 -38.180 15.791 17.819 1.00 0.00 C ATOM 157 O SER A 11 -39.406 15.851 17.727 1.00 0.00 O ATOM 158 CB SER A 11 -36.352 14.141 17.376 1.00 0.00 C ATOM 159 OG SER A 11 -35.320 14.885 18.016 1.00 0.00 O ATOM 0 H SER A 11 -35.612 15.877 15.722 1.00 0.00 H new ATOM 0 HA SER A 11 -38.020 14.571 16.063 1.00 0.00 H new ATOM 0 HB2 SER A 11 -36.866 13.511 18.102 1.00 0.00 H new ATOM 0 HB3 SER A 11 -35.925 13.478 16.623 1.00 0.00 H new ATOM 0 HG SER A 11 -34.684 14.268 18.436 1.00 0.00 H new ATOM 165 N GLN A 12 -37.557 16.291 18.858 1.00 0.00 N ATOM 166 CA GLN A 12 -38.335 16.949 19.956 1.00 0.00 C ATOM 167 C GLN A 12 -39.166 18.121 19.396 1.00 0.00 C ATOM 168 O GLN A 12 -40.252 18.423 19.894 1.00 0.00 O ATOM 169 CB GLN A 12 -37.373 17.436 21.044 1.00 0.00 C ATOM 170 CG GLN A 12 -37.447 16.483 22.249 1.00 0.00 C ATOM 171 CD GLN A 12 -36.196 15.598 22.307 1.00 0.00 C ATOM 172 OE1 GLN A 12 -35.851 14.927 21.336 1.00 0.00 O ATOM 173 NE2 GLN A 12 -35.492 15.553 23.397 1.00 0.00 N ATOM 0 H GLN A 12 -36.546 16.273 18.994 1.00 0.00 H new ATOM 0 HA GLN A 12 -39.024 16.226 20.393 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -36.355 17.472 20.656 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -37.634 18.449 21.350 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -37.537 17.058 23.171 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -38.338 15.860 22.174 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -35.771 16.106 24.207 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -34.660 14.964 23.443 1.00 0.00 H new ATOM 182 N VAL A 13 -38.707 18.768 18.352 1.00 0.00 N ATOM 183 CA VAL A 13 -39.517 19.882 17.760 1.00 0.00 C ATOM 184 C VAL A 13 -40.854 19.295 17.298 1.00 0.00 C ATOM 185 O VAL A 13 -41.918 19.876 17.515 1.00 0.00 O ATOM 186 CB VAL A 13 -38.778 20.505 16.565 1.00 0.00 C ATOM 187 CG1 VAL A 13 -39.678 21.537 15.884 1.00 0.00 C ATOM 188 CG2 VAL A 13 -37.505 21.204 17.047 1.00 0.00 C ATOM 0 H VAL A 13 -37.819 18.578 17.888 1.00 0.00 H new ATOM 0 HA VAL A 13 -39.678 20.664 18.502 1.00 0.00 H new ATOM 0 HB VAL A 13 -38.520 19.714 15.861 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -39.151 21.977 15.037 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -40.588 21.051 15.532 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -39.937 22.320 16.596 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -36.986 21.643 16.195 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -37.767 21.989 17.756 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -36.853 20.478 17.534 1.00 0.00 H new ATOM 198 N HIS A 14 -40.823 18.134 16.696 1.00 0.00 N ATOM 199 CA HIS A 14 -42.086 17.481 16.259 1.00 0.00 C ATOM 200 C HIS A 14 -42.900 17.121 17.508 1.00 0.00 C ATOM 201 O HIS A 14 -44.126 17.190 17.507 1.00 0.00 O ATOM 202 CB HIS A 14 -41.755 16.215 15.464 1.00 0.00 C ATOM 203 CG HIS A 14 -41.464 16.589 14.041 1.00 0.00 C ATOM 204 ND1 HIS A 14 -42.112 15.996 12.972 1.00 0.00 N ATOM 205 CD2 HIS A 14 -40.605 17.507 13.496 1.00 0.00 C ATOM 206 CE1 HIS A 14 -41.637 16.560 11.846 1.00 0.00 C ATOM 207 NE2 HIS A 14 -40.715 17.489 12.109 1.00 0.00 N ATOM 0 H HIS A 14 -39.972 17.611 16.489 1.00 0.00 H new ATOM 0 HA HIS A 14 -42.663 18.153 15.623 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -40.895 15.710 15.903 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -42.590 15.516 15.505 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -39.942 18.148 14.058 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -41.962 16.294 10.851 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -40.202 18.062 11.438 1.00 0.00 H new ATOM 215 N GLU A 15 -42.232 16.761 18.579 1.00 0.00 N ATOM 216 CA GLU A 15 -42.950 16.423 19.847 1.00 0.00 C ATOM 217 C GLU A 15 -43.928 17.555 20.191 1.00 0.00 C ATOM 218 O GLU A 15 -45.112 17.323 20.428 1.00 0.00 O ATOM 219 CB GLU A 15 -41.929 16.267 20.982 1.00 0.00 C ATOM 220 CG GLU A 15 -42.047 14.866 21.601 1.00 0.00 C ATOM 221 CD GLU A 15 -43.352 14.728 22.388 1.00 0.00 C ATOM 222 OE1 GLU A 15 -43.694 15.635 23.126 1.00 0.00 O ATOM 223 OE2 GLU A 15 -44.002 13.709 22.230 1.00 0.00 O ATOM 0 H GLU A 15 -41.216 16.687 18.628 1.00 0.00 H new ATOM 0 HA GLU A 15 -43.500 15.490 19.721 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -40.920 16.421 20.599 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -42.101 17.027 21.744 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -42.010 14.112 20.815 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -41.198 14.682 22.260 1.00 0.00 H new ATOM 230 N ILE A 16 -43.465 18.782 20.208 1.00 0.00 N ATOM 231 CA ILE A 16 -44.389 19.919 20.528 1.00 0.00 C ATOM 232 C ILE A 16 -45.240 20.281 19.293 1.00 0.00 C ATOM 233 O ILE A 16 -46.427 20.601 19.411 1.00 0.00 O ATOM 234 CB ILE A 16 -43.576 21.139 20.989 1.00 0.00 C ATOM 235 CG1 ILE A 16 -44.536 22.250 21.423 1.00 0.00 C ATOM 236 CG2 ILE A 16 -42.691 21.654 19.850 1.00 0.00 C ATOM 237 CD1 ILE A 16 -43.736 23.437 21.955 1.00 0.00 C ATOM 0 H ILE A 16 -42.498 19.045 20.017 1.00 0.00 H new ATOM 0 HA ILE A 16 -45.058 19.614 21.333 1.00 0.00 H new ATOM 0 HB ILE A 16 -42.941 20.844 21.824 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -45.152 22.562 20.580 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -45.213 21.880 22.193 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -42.122 22.518 20.193 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -42.004 20.867 19.539 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -43.317 21.944 19.006 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -44.420 24.228 22.264 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -43.139 23.119 22.810 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -43.078 23.812 21.172 1.00 0.00 H new ATOM 249 N GLY A 17 -44.661 20.238 18.115 1.00 0.00 N ATOM 250 CA GLY A 17 -45.433 20.577 16.869 1.00 0.00 C ATOM 251 C GLY A 17 -46.657 19.661 16.740 1.00 0.00 C ATOM 252 O GLY A 17 -47.780 20.125 16.533 1.00 0.00 O ATOM 0 H GLY A 17 -43.686 19.983 17.960 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -45.751 21.619 16.901 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -44.793 20.466 15.994 1.00 0.00 H new ATOM 256 N ILE A 18 -46.468 18.374 16.876 1.00 0.00 N ATOM 257 CA ILE A 18 -47.616 17.414 16.781 1.00 0.00 C ATOM 258 C ILE A 18 -48.354 17.369 18.138 1.00 0.00 C ATOM 259 O ILE A 18 -48.779 16.319 18.619 1.00 0.00 O ATOM 260 CB ILE A 18 -47.069 16.023 16.413 1.00 0.00 C ATOM 261 CG1 ILE A 18 -46.637 16.013 14.945 1.00 0.00 C ATOM 262 CG2 ILE A 18 -48.149 14.963 16.616 1.00 0.00 C ATOM 263 CD1 ILE A 18 -45.133 16.269 14.853 1.00 0.00 C ATOM 0 H ILE A 18 -45.561 17.941 17.050 1.00 0.00 H new ATOM 0 HA ILE A 18 -48.320 17.734 16.013 1.00 0.00 H new ATOM 0 HB ILE A 18 -46.216 15.801 17.055 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -46.882 15.053 14.490 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -47.181 16.777 14.390 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -47.751 13.983 16.353 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -48.463 14.959 17.660 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -49.005 15.190 15.981 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -44.826 16.262 13.807 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -44.902 17.239 15.292 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -44.597 15.489 15.394 1.00 0.00 H new ATOM 275 N LYS A 19 -48.512 18.494 18.769 1.00 0.00 N ATOM 276 CA LYS A 19 -49.206 18.519 20.087 1.00 0.00 C ATOM 277 C LYS A 19 -50.025 19.813 20.220 1.00 0.00 C ATOM 278 O LYS A 19 -51.186 19.795 20.620 1.00 0.00 O ATOM 279 CB LYS A 19 -48.150 18.452 21.193 1.00 0.00 C ATOM 280 CG LYS A 19 -48.406 17.237 22.088 1.00 0.00 C ATOM 281 CD LYS A 19 -47.899 15.977 21.384 1.00 0.00 C ATOM 282 CE LYS A 19 -46.626 15.474 22.060 1.00 0.00 C ATOM 283 NZ LYS A 19 -46.313 14.122 21.531 1.00 0.00 N ATOM 0 H LYS A 19 -48.191 19.401 18.431 1.00 0.00 H new ATOM 0 HA LYS A 19 -49.884 17.669 20.169 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -47.155 18.387 20.753 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -48.177 19.365 21.788 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -47.899 17.362 23.045 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -49.471 17.145 22.301 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -48.665 15.202 21.412 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -47.702 16.192 20.334 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -45.799 16.157 21.866 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -46.761 15.436 23.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -45.438 13.772 21.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -47.095 13.473 21.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -46.187 14.173 20.500 1.00 0.00 H new ATOM 297 N ARG A 20 -49.441 20.936 19.890 1.00 0.00 N ATOM 298 CA ARG A 20 -50.182 22.231 19.994 1.00 0.00 C ATOM 299 C ARG A 20 -50.724 22.644 18.612 1.00 0.00 C ATOM 300 O ARG A 20 -50.777 23.828 18.283 1.00 0.00 O ATOM 301 CB ARG A 20 -49.224 23.307 20.520 1.00 0.00 C ATOM 302 CG ARG A 20 -50.011 24.356 21.311 1.00 0.00 C ATOM 303 CD ARG A 20 -50.040 23.964 22.787 1.00 0.00 C ATOM 304 NE ARG A 20 -51.120 24.732 23.478 1.00 0.00 N ATOM 305 CZ ARG A 20 -52.225 24.149 23.807 1.00 0.00 C ATOM 306 NH1 ARG A 20 -53.196 24.090 22.960 1.00 0.00 N ATOM 307 NH2 ARG A 20 -52.350 23.628 24.980 1.00 0.00 N ATOM 0 H ARG A 20 -48.482 21.013 19.552 1.00 0.00 H new ATOM 0 HA ARG A 20 -51.024 22.117 20.677 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -48.465 22.852 21.156 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -48.702 23.781 19.689 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -49.551 25.337 21.193 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -51.027 24.432 20.924 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -50.217 22.893 22.888 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -49.076 24.173 23.250 1.00 0.00 H new ATOM 0 HE ARG A 20 -50.984 25.720 23.691 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -53.090 24.503 22.033 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -54.070 23.630 23.217 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -51.578 23.677 25.645 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -53.221 23.167 25.243 1.00 0.00 H new ATOM 321 N ASN A 21 -51.128 21.694 17.800 1.00 0.00 N ATOM 322 CA ASN A 21 -51.665 22.027 16.438 1.00 0.00 C ATOM 323 C ASN A 21 -50.692 22.973 15.709 1.00 0.00 C ATOM 324 O ASN A 21 -51.099 23.912 15.026 1.00 0.00 O ATOM 325 CB ASN A 21 -53.036 22.701 16.585 1.00 0.00 C ATOM 326 CG ASN A 21 -54.089 21.658 16.958 1.00 0.00 C ATOM 327 OD1 ASN A 21 -53.873 20.836 17.837 1.00 0.00 O ATOM 328 ND2 ASN A 21 -55.227 21.648 16.337 1.00 0.00 N ATOM 0 H ASN A 21 -51.109 20.699 18.022 1.00 0.00 H new ATOM 0 HA ASN A 21 -51.771 21.112 15.855 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -52.990 23.475 17.351 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -53.312 23.192 15.652 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -55.936 20.957 16.583 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -55.413 22.331 15.603 1.00 0.00 H new ATOM 335 N MET A 22 -49.411 22.747 15.847 1.00 0.00 N ATOM 336 CA MET A 22 -48.416 23.635 15.179 1.00 0.00 C ATOM 337 C MET A 22 -47.784 22.917 13.980 1.00 0.00 C ATOM 338 O MET A 22 -46.988 21.990 14.136 1.00 0.00 O ATOM 339 CB MET A 22 -47.329 24.013 16.190 1.00 0.00 C ATOM 340 CG MET A 22 -47.834 25.149 17.083 1.00 0.00 C ATOM 341 SD MET A 22 -46.463 25.783 18.080 1.00 0.00 S ATOM 342 CE MET A 22 -47.022 27.502 18.161 1.00 0.00 C ATOM 0 H MET A 22 -49.012 21.985 16.394 1.00 0.00 H new ATOM 0 HA MET A 22 -48.917 24.534 14.820 1.00 0.00 H new ATOM 0 HB2 MET A 22 -47.067 23.147 16.798 1.00 0.00 H new ATOM 0 HB3 MET A 22 -46.423 24.322 15.668 1.00 0.00 H new ATOM 0 HG2 MET A 22 -48.254 25.948 16.472 1.00 0.00 H new ATOM 0 HG3 MET A 22 -48.634 24.789 17.731 1.00 0.00 H new ATOM 0 HE1 MET A 22 -46.730 27.935 19.118 1.00 0.00 H new ATOM 0 HE2 MET A 22 -46.566 28.071 17.351 1.00 0.00 H new ATOM 0 HE3 MET A 22 -48.107 27.537 18.063 1.00 0.00 H new ATOM 352 N THR A 23 -48.116 23.332 12.786 1.00 0.00 N ATOM 353 CA THR A 23 -47.530 22.685 11.569 1.00 0.00 C ATOM 354 C THR A 23 -46.048 23.049 11.465 1.00 0.00 C ATOM 355 O THR A 23 -45.673 24.022 10.815 1.00 0.00 O ATOM 356 CB THR A 23 -48.266 23.174 10.319 1.00 0.00 C ATOM 357 OG1 THR A 23 -48.897 24.417 10.598 1.00 0.00 O ATOM 358 CG2 THR A 23 -49.323 22.149 9.923 1.00 0.00 C ATOM 0 H THR A 23 -48.769 24.093 12.598 1.00 0.00 H new ATOM 0 HA THR A 23 -47.636 21.603 11.648 1.00 0.00 H new ATOM 0 HB THR A 23 -47.555 23.301 9.503 1.00 0.00 H new ATOM 0 HG1 THR A 23 -49.367 24.732 9.798 1.00 0.00 H new ATOM 0 HG21 THR A 23 -49.849 22.494 9.033 1.00 0.00 H new ATOM 0 HG22 THR A 23 -48.842 21.193 9.713 1.00 0.00 H new ATOM 0 HG23 THR A 23 -50.034 22.026 10.740 1.00 0.00 H new ATOM 366 N VAL A 24 -45.206 22.288 12.108 1.00 0.00 N ATOM 367 CA VAL A 24 -43.737 22.573 12.073 1.00 0.00 C ATOM 368 C VAL A 24 -43.139 22.061 10.754 1.00 0.00 C ATOM 369 O VAL A 24 -43.077 20.854 10.503 1.00 0.00 O ATOM 370 CB VAL A 24 -43.061 21.869 13.261 1.00 0.00 C ATOM 371 CG1 VAL A 24 -41.545 22.053 13.189 1.00 0.00 C ATOM 372 CG2 VAL A 24 -43.567 22.468 14.573 1.00 0.00 C ATOM 0 H VAL A 24 -45.472 21.474 12.662 1.00 0.00 H new ATOM 0 HA VAL A 24 -43.570 23.648 12.142 1.00 0.00 H new ATOM 0 HB VAL A 24 -43.303 20.807 13.219 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -41.077 21.550 14.035 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -41.170 21.624 12.260 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -41.306 23.116 13.221 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -43.085 21.966 15.412 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -43.331 23.532 14.602 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -44.647 22.334 14.642 1.00 0.00 H new ATOM 382 N HIS A 25 -42.700 22.948 9.901 1.00 0.00 N ATOM 383 CA HIS A 25 -42.105 22.506 8.599 1.00 0.00 C ATOM 384 C HIS A 25 -40.736 23.175 8.396 1.00 0.00 C ATOM 385 O HIS A 25 -40.484 24.278 8.884 1.00 0.00 O ATOM 386 CB HIS A 25 -43.040 22.883 7.440 1.00 0.00 C ATOM 387 CG HIS A 25 -44.440 22.397 7.714 1.00 0.00 C ATOM 388 ND1 HIS A 25 -44.701 21.271 8.477 1.00 0.00 N ATOM 389 CD2 HIS A 25 -45.664 22.874 7.322 1.00 0.00 C ATOM 390 CE1 HIS A 25 -46.038 21.108 8.516 1.00 0.00 C ATOM 391 NE2 HIS A 25 -46.671 22.060 7.828 1.00 0.00 N ATOM 0 H HIS A 25 -42.726 23.957 10.046 1.00 0.00 H new ATOM 0 HA HIS A 25 -41.977 21.424 8.618 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -43.044 23.965 7.305 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -42.672 22.447 6.511 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -44.007 20.674 8.927 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -45.822 23.751 6.712 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -46.536 20.305 9.040 1.00 0.00 H new ATOM 399 N PHE A 26 -39.849 22.526 7.687 1.00 0.00 N ATOM 400 CA PHE A 26 -38.490 23.109 7.450 1.00 0.00 C ATOM 401 C PHE A 26 -38.144 23.052 5.956 1.00 0.00 C ATOM 402 O PHE A 26 -38.363 22.041 5.290 1.00 0.00 O ATOM 403 CB PHE A 26 -37.457 22.300 8.239 1.00 0.00 C ATOM 404 CG PHE A 26 -37.596 22.601 9.709 1.00 0.00 C ATOM 405 CD1 PHE A 26 -36.884 23.662 10.273 1.00 0.00 C ATOM 406 CD2 PHE A 26 -38.437 21.819 10.508 1.00 0.00 C ATOM 407 CE1 PHE A 26 -37.012 23.943 11.636 1.00 0.00 C ATOM 408 CE2 PHE A 26 -38.565 22.100 11.873 1.00 0.00 C ATOM 409 CZ PHE A 26 -37.853 23.163 12.437 1.00 0.00 C ATOM 0 H PHE A 26 -40.006 21.613 7.259 1.00 0.00 H new ATOM 0 HA PHE A 26 -38.482 24.149 7.777 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -37.601 21.234 8.060 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -36.451 22.547 7.900 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -36.235 24.265 9.656 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -38.987 20.999 10.072 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -36.461 24.763 12.072 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -39.213 21.496 12.490 1.00 0.00 H new ATOM 0 HZ PHE A 26 -37.952 23.382 13.490 1.00 0.00 H new ATOM 419 N LYS A 27 -37.601 24.112 5.417 1.00 0.00 N ATOM 420 CA LYS A 27 -37.238 24.112 3.966 1.00 0.00 C ATOM 421 C LYS A 27 -36.098 25.110 3.706 1.00 0.00 C ATOM 422 O LYS A 27 -36.183 26.286 4.059 1.00 0.00 O ATOM 423 CB LYS A 27 -38.470 24.507 3.144 1.00 0.00 C ATOM 424 CG LYS A 27 -38.230 24.185 1.665 1.00 0.00 C ATOM 425 CD LYS A 27 -37.804 25.458 0.927 1.00 0.00 C ATOM 426 CE LYS A 27 -37.273 25.095 -0.462 1.00 0.00 C ATOM 427 NZ LYS A 27 -36.516 26.256 -1.014 1.00 0.00 N ATOM 0 H LYS A 27 -37.393 24.977 5.916 1.00 0.00 H new ATOM 0 HA LYS A 27 -36.903 23.116 3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -39.347 23.970 3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -38.675 25.571 3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -37.459 23.421 1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -39.138 23.780 1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -38.651 26.138 0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -37.035 25.980 1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -36.627 24.220 -0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -38.099 24.835 -1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -36.254 26.062 -2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -37.111 27.108 -0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -35.655 26.408 -0.451 1.00 0.00 H new ATOM 441 N VAL A 28 -35.033 24.668 3.086 1.00 0.00 N ATOM 442 CA VAL A 28 -33.893 25.596 2.797 1.00 0.00 C ATOM 443 C VAL A 28 -34.260 26.503 1.616 1.00 0.00 C ATOM 444 O VAL A 28 -34.801 26.049 0.607 1.00 0.00 O ATOM 445 CB VAL A 28 -32.633 24.789 2.461 1.00 0.00 C ATOM 446 CG1 VAL A 28 -31.455 25.741 2.254 1.00 0.00 C ATOM 447 CG2 VAL A 28 -32.305 23.844 3.617 1.00 0.00 C ATOM 0 H VAL A 28 -34.902 23.708 2.768 1.00 0.00 H new ATOM 0 HA VAL A 28 -33.696 26.208 3.677 1.00 0.00 H new ATOM 0 HB VAL A 28 -32.810 24.214 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -30.560 25.166 2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -31.678 26.423 1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -31.286 26.314 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -31.409 23.272 3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -32.132 24.424 4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -33.140 23.161 3.777 1.00 0.00 H new ATOM 457 N LEU A 29 -33.987 27.774 1.718 1.00 0.00 N ATOM 458 CA LEU A 29 -34.333 28.706 0.597 1.00 0.00 C ATOM 459 C LEU A 29 -33.361 28.495 -0.564 1.00 0.00 C ATOM 460 O LEU A 29 -33.764 28.133 -1.675 1.00 0.00 O ATOM 461 CB LEU A 29 -34.249 30.166 1.074 1.00 0.00 C ATOM 462 CG LEU A 29 -34.819 30.300 2.488 1.00 0.00 C ATOM 463 CD1 LEU A 29 -34.955 31.779 2.838 1.00 0.00 C ATOM 464 CD2 LEU A 29 -36.198 29.646 2.561 1.00 0.00 C ATOM 0 H LEU A 29 -33.541 28.211 2.524 1.00 0.00 H new ATOM 0 HA LEU A 29 -35.351 28.497 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -33.212 30.500 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -34.801 30.811 0.390 1.00 0.00 H new ATOM 0 HG LEU A 29 -34.147 29.807 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -35.361 31.879 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -33.976 32.255 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -35.626 32.261 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -36.595 29.746 3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -36.870 30.135 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -36.113 28.589 2.308 1.00 0.00 H new ATOM 476 N ARG A 30 -32.099 28.715 -0.327 1.00 0.00 N ATOM 477 CA ARG A 30 -31.083 28.534 -1.408 1.00 0.00 C ATOM 478 C ARG A 30 -29.663 28.633 -0.830 1.00 0.00 C ATOM 479 O ARG A 30 -29.427 29.287 0.189 1.00 0.00 O ATOM 480 CB ARG A 30 -31.277 29.626 -2.466 1.00 0.00 C ATOM 481 CG ARG A 30 -30.567 29.219 -3.760 1.00 0.00 C ATOM 482 CD ARG A 30 -31.500 29.452 -4.947 1.00 0.00 C ATOM 483 NE ARG A 30 -32.515 28.356 -4.985 1.00 0.00 N ATOM 484 CZ ARG A 30 -32.780 27.752 -6.095 1.00 0.00 C ATOM 485 NH1 ARG A 30 -33.609 28.282 -6.930 1.00 0.00 N ATOM 486 NH2 ARG A 30 -32.212 26.627 -6.361 1.00 0.00 N ATOM 0 H ARG A 30 -31.722 29.014 0.573 1.00 0.00 H new ATOM 0 HA ARG A 30 -31.212 27.549 -1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -32.340 29.779 -2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -30.878 30.573 -2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -29.652 29.799 -3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -30.276 28.170 -3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -31.993 30.420 -4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -30.931 29.471 -5.876 1.00 0.00 H new ATOM 0 HE ARG A 30 -33.001 28.084 -4.130 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -34.052 29.175 -6.712 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -33.821 27.808 -7.808 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -31.556 26.217 -5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -32.418 26.146 -7.237 1.00 0.00 H new ATOM 631 N PHE A 40 -26.063 28.078 4.664 1.00 0.00 N ATOM 632 CA PHE A 40 -27.340 27.483 4.158 1.00 0.00 C ATOM 633 C PHE A 40 -28.549 28.197 4.779 1.00 0.00 C ATOM 634 O PHE A 40 -28.846 28.042 5.965 1.00 0.00 O ATOM 635 CB PHE A 40 -27.373 25.994 4.527 1.00 0.00 C ATOM 636 CG PHE A 40 -26.096 25.333 4.062 1.00 0.00 C ATOM 637 CD1 PHE A 40 -25.984 24.893 2.740 1.00 0.00 C ATOM 638 CD2 PHE A 40 -25.023 25.168 4.950 1.00 0.00 C ATOM 639 CE1 PHE A 40 -24.802 24.287 2.300 1.00 0.00 C ATOM 640 CE2 PHE A 40 -23.839 24.561 4.510 1.00 0.00 C ATOM 641 CZ PHE A 40 -23.729 24.121 3.185 1.00 0.00 C ATOM 0 HA PHE A 40 -27.389 27.602 3.076 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -27.484 25.878 5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -28.234 25.512 4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -26.811 25.021 2.057 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -25.109 25.508 5.971 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -24.717 23.947 1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -23.012 24.433 5.192 1.00 0.00 H new ATOM 0 HZ PHE A 40 -22.817 23.654 2.845 1.00 0.00 H new ATOM 651 N ILE A 41 -29.263 28.969 4.001 1.00 0.00 N ATOM 652 CA ILE A 41 -30.459 29.685 4.547 1.00 0.00 C ATOM 653 C ILE A 41 -31.636 28.707 4.661 1.00 0.00 C ATOM 654 O ILE A 41 -32.339 28.432 3.689 1.00 0.00 O ATOM 655 CB ILE A 41 -30.837 30.849 3.620 1.00 0.00 C ATOM 656 CG1 ILE A 41 -29.670 31.835 3.528 1.00 0.00 C ATOM 657 CG2 ILE A 41 -32.057 31.580 4.183 1.00 0.00 C ATOM 658 CD1 ILE A 41 -29.028 31.751 2.142 1.00 0.00 C ATOM 0 H ILE A 41 -29.072 29.136 3.013 1.00 0.00 H new ATOM 0 HA ILE A 41 -30.222 30.080 5.535 1.00 0.00 H new ATOM 0 HB ILE A 41 -31.066 30.454 2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -30.023 32.849 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -28.930 31.609 4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -32.323 32.406 3.523 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -32.896 30.887 4.254 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -31.823 31.969 5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -28.198 32.455 2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -28.659 30.739 1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -29.769 31.999 1.382 1.00 0.00 H new ATOM 670 N THR A 42 -31.864 28.176 5.832 1.00 0.00 N ATOM 671 CA THR A 42 -32.996 27.211 6.012 1.00 0.00 C ATOM 672 C THR A 42 -34.172 27.915 6.693 1.00 0.00 C ATOM 673 O THR A 42 -34.019 28.535 7.740 1.00 0.00 O ATOM 674 CB THR A 42 -32.538 26.030 6.877 1.00 0.00 C ATOM 675 OG1 THR A 42 -31.516 25.310 6.199 1.00 0.00 O ATOM 676 CG2 THR A 42 -33.714 25.090 7.138 1.00 0.00 C ATOM 0 H THR A 42 -31.318 28.366 6.673 1.00 0.00 H new ATOM 0 HA THR A 42 -33.310 26.844 5.035 1.00 0.00 H new ATOM 0 HB THR A 42 -32.157 26.413 7.824 1.00 0.00 H new ATOM 0 HG1 THR A 42 -31.226 25.816 5.411 1.00 0.00 H new ATOM 0 HG21 THR A 42 -33.382 24.254 7.753 1.00 0.00 H new ATOM 0 HG22 THR A 42 -34.504 25.631 7.658 1.00 0.00 H new ATOM 0 HG23 THR A 42 -34.096 24.713 6.189 1.00 0.00 H new ATOM 684 N ALA A 43 -35.345 27.824 6.128 1.00 0.00 N ATOM 685 CA ALA A 43 -36.528 28.481 6.755 1.00 0.00 C ATOM 686 C ALA A 43 -37.357 27.437 7.511 1.00 0.00 C ATOM 687 O ALA A 43 -37.419 26.266 7.129 1.00 0.00 O ATOM 688 CB ALA A 43 -37.390 29.127 5.668 1.00 0.00 C ATOM 0 H ALA A 43 -35.536 27.324 5.260 1.00 0.00 H new ATOM 0 HA ALA A 43 -36.188 29.246 7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -38.254 29.607 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -36.802 29.873 5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -37.728 28.362 4.969 1.00 0.00 H new ATOM 694 N CYS A 44 -38.010 27.843 8.562 1.00 0.00 N ATOM 695 CA CYS A 44 -38.855 26.896 9.336 1.00 0.00 C ATOM 696 C CYS A 44 -40.200 27.569 9.584 1.00 0.00 C ATOM 697 O CYS A 44 -40.249 28.773 9.831 1.00 0.00 O ATOM 698 CB CYS A 44 -38.172 26.555 10.669 1.00 0.00 C ATOM 699 SG CYS A 44 -38.032 28.036 11.701 1.00 0.00 S ATOM 0 H CYS A 44 -37.994 28.798 8.920 1.00 0.00 H new ATOM 0 HA CYS A 44 -38.997 25.967 8.783 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -38.745 25.791 11.194 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -37.182 26.139 10.482 1.00 0.00 H new ATOM 0 HG CYS A 44 -37.178 27.819 12.657 1.00 0.00 H new ATOM 705 N ILE A 45 -41.282 26.830 9.503 1.00 0.00 N ATOM 706 CA ILE A 45 -42.638 27.436 9.720 1.00 0.00 C ATOM 707 C ILE A 45 -43.406 26.653 10.798 1.00 0.00 C ATOM 708 O ILE A 45 -43.398 25.423 10.816 1.00 0.00 O ATOM 709 CB ILE A 45 -43.424 27.433 8.398 1.00 0.00 C ATOM 710 CG1 ILE A 45 -44.631 28.365 8.521 1.00 0.00 C ATOM 711 CG2 ILE A 45 -43.917 26.020 8.076 1.00 0.00 C ATOM 712 CD1 ILE A 45 -45.170 28.690 7.126 1.00 0.00 C ATOM 0 H ILE A 45 -41.286 25.831 9.296 1.00 0.00 H new ATOM 0 HA ILE A 45 -42.518 28.464 10.061 1.00 0.00 H new ATOM 0 HB ILE A 45 -42.767 27.775 7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -45.408 27.893 9.122 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -44.344 29.283 9.034 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -44.472 26.033 7.138 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -43.063 25.349 7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -44.568 25.670 8.877 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -46.030 29.354 7.214 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -44.392 29.179 6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -45.473 27.768 6.629 1.00 0.00 H new ATOM 724 N VAL A 46 -44.065 27.343 11.701 1.00 0.00 N ATOM 725 CA VAL A 46 -44.835 26.640 12.772 1.00 0.00 C ATOM 726 C VAL A 46 -46.213 27.304 12.938 1.00 0.00 C ATOM 727 O VAL A 46 -46.380 28.509 12.732 1.00 0.00 O ATOM 728 CB VAL A 46 -44.042 26.678 14.094 1.00 0.00 C ATOM 729 CG1 VAL A 46 -44.365 27.940 14.900 1.00 0.00 C ATOM 730 CG2 VAL A 46 -44.402 25.455 14.933 1.00 0.00 C ATOM 0 H VAL A 46 -44.101 28.362 11.740 1.00 0.00 H new ATOM 0 HA VAL A 46 -44.986 25.597 12.492 1.00 0.00 H new ATOM 0 HB VAL A 46 -42.979 26.680 13.852 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -43.790 27.937 15.826 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -44.105 28.822 14.315 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -45.429 27.960 15.134 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -43.843 25.478 15.869 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -45.471 25.463 15.148 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -44.150 24.549 14.382 1.00 0.00 H new ATOM 740 N GLY A 47 -47.208 26.533 13.295 1.00 0.00 N ATOM 741 CA GLY A 47 -48.591 27.092 13.467 1.00 0.00 C ATOM 742 C GLY A 47 -48.549 28.437 14.203 1.00 0.00 C ATOM 743 O GLY A 47 -47.983 28.540 15.288 1.00 0.00 O ATOM 0 H GLY A 47 -47.125 25.533 13.477 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -49.060 27.221 12.491 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -49.206 26.386 14.025 1.00 0.00 H new ATOM 747 N SER A 48 -49.152 29.453 13.616 1.00 0.00 N ATOM 748 CA SER A 48 -49.203 30.838 14.223 1.00 0.00 C ATOM 749 C SER A 48 -48.109 31.748 13.638 1.00 0.00 C ATOM 750 O SER A 48 -48.410 32.819 13.112 1.00 0.00 O ATOM 751 CB SER A 48 -49.076 30.793 15.755 1.00 0.00 C ATOM 752 OG SER A 48 -47.705 30.710 16.123 1.00 0.00 O ATOM 0 H SER A 48 -49.625 29.380 12.715 1.00 0.00 H new ATOM 0 HA SER A 48 -50.178 31.254 13.970 1.00 0.00 H new ATOM 0 HB2 SER A 48 -49.526 31.684 16.193 1.00 0.00 H new ATOM 0 HB3 SER A 48 -49.620 29.935 16.149 1.00 0.00 H new ATOM 0 HG SER A 48 -47.427 29.770 16.140 1.00 0.00 H new ATOM 758 N ILE A 49 -46.856 31.368 13.712 1.00 0.00 N ATOM 759 CA ILE A 49 -45.767 32.248 13.158 1.00 0.00 C ATOM 760 C ILE A 49 -44.475 31.436 12.981 1.00 0.00 C ATOM 761 O ILE A 49 -44.470 30.213 13.120 1.00 0.00 O ATOM 762 CB ILE A 49 -45.479 33.430 14.110 1.00 0.00 C ATOM 763 CG1 ILE A 49 -46.468 33.456 15.284 1.00 0.00 C ATOM 764 CG2 ILE A 49 -45.597 34.744 13.336 1.00 0.00 C ATOM 765 CD1 ILE A 49 -46.006 34.485 16.320 1.00 0.00 C ATOM 0 H ILE A 49 -46.537 30.493 14.128 1.00 0.00 H new ATOM 0 HA ILE A 49 -46.104 32.633 12.196 1.00 0.00 H new ATOM 0 HB ILE A 49 -44.471 33.307 14.507 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -47.466 33.708 14.926 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -46.532 32.468 15.741 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -45.394 35.580 14.005 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -44.876 34.751 12.518 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -46.605 34.839 12.932 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -46.709 34.503 17.153 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -45.016 34.213 16.686 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -45.964 35.472 15.859 1.00 0.00 H new ATOM 777 N VAL A 50 -43.372 32.093 12.688 1.00 0.00 N ATOM 778 CA VAL A 50 -42.080 31.354 12.518 1.00 0.00 C ATOM 779 C VAL A 50 -40.964 32.281 11.996 1.00 0.00 C ATOM 780 O VAL A 50 -41.072 33.503 12.068 1.00 0.00 O ATOM 781 CB VAL A 50 -42.288 30.189 11.555 1.00 0.00 C ATOM 782 CG1 VAL A 50 -41.954 30.614 10.111 1.00 0.00 C ATOM 783 CG2 VAL A 50 -41.414 29.024 12.037 1.00 0.00 C ATOM 0 H VAL A 50 -43.314 33.103 12.560 1.00 0.00 H new ATOM 0 HA VAL A 50 -41.767 30.978 13.492 1.00 0.00 H new ATOM 0 HB VAL A 50 -43.331 29.873 11.545 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -42.108 29.770 9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -42.604 31.438 9.815 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -40.914 30.935 10.058 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -41.540 28.173 11.368 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -40.368 29.331 12.040 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -41.712 28.739 13.046 1.00 0.00 H new ATOM 793 N THR A 51 -39.897 31.714 11.465 1.00 0.00 N ATOM 794 CA THR A 51 -38.771 32.553 10.938 1.00 0.00 C ATOM 795 C THR A 51 -37.798 31.672 10.136 1.00 0.00 C ATOM 796 O THR A 51 -38.030 30.477 9.934 1.00 0.00 O ATOM 797 CB THR A 51 -38.014 33.207 12.106 1.00 0.00 C ATOM 798 OG1 THR A 51 -38.182 32.424 13.281 1.00 0.00 O ATOM 799 CG2 THR A 51 -38.553 34.617 12.354 1.00 0.00 C ATOM 0 H THR A 51 -39.761 30.707 11.376 1.00 0.00 H new ATOM 0 HA THR A 51 -39.181 33.329 10.291 1.00 0.00 H new ATOM 0 HB THR A 51 -36.955 33.267 11.854 1.00 0.00 H new ATOM 0 HG1 THR A 51 -38.803 32.876 13.889 1.00 0.00 H new ATOM 0 HG21 THR A 51 -38.011 35.073 13.183 1.00 0.00 H new ATOM 0 HG22 THR A 51 -38.419 35.221 11.457 1.00 0.00 H new ATOM 0 HG23 THR A 51 -39.614 34.563 12.600 1.00 0.00 H new ATOM 807 N GLU A 52 -36.720 32.236 9.666 1.00 0.00 N ATOM 808 CA GLU A 52 -35.738 31.442 8.869 1.00 0.00 C ATOM 809 C GLU A 52 -34.403 31.338 9.628 1.00 0.00 C ATOM 810 O GLU A 52 -34.274 31.805 10.762 1.00 0.00 O ATOM 811 CB GLU A 52 -35.521 32.132 7.515 1.00 0.00 C ATOM 812 CG GLU A 52 -36.885 32.435 6.870 1.00 0.00 C ATOM 813 CD GLU A 52 -37.249 33.908 7.081 1.00 0.00 C ATOM 814 OE1 GLU A 52 -37.832 34.215 8.109 1.00 0.00 O ATOM 815 OE2 GLU A 52 -36.940 34.701 6.211 1.00 0.00 O ATOM 0 H GLU A 52 -36.474 33.217 9.799 1.00 0.00 H new ATOM 0 HA GLU A 52 -36.125 30.435 8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -34.958 33.055 7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -34.930 31.492 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -36.851 32.210 5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -37.653 31.796 7.306 1.00 0.00 H new ATOM 822 N GLY A 53 -33.413 30.722 9.033 1.00 0.00 N ATOM 823 CA GLY A 53 -32.090 30.577 9.719 1.00 0.00 C ATOM 824 C GLY A 53 -30.968 30.470 8.682 1.00 0.00 C ATOM 825 O GLY A 53 -30.786 29.432 8.041 1.00 0.00 O ATOM 0 H GLY A 53 -33.463 30.312 8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -31.913 31.433 10.370 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -32.096 29.690 10.353 1.00 0.00 H new ATOM 829 N GLU A 54 -30.209 31.516 8.512 1.00 0.00 N ATOM 830 CA GLU A 54 -29.088 31.500 7.528 1.00 0.00 C ATOM 831 C GLU A 54 -27.832 30.874 8.166 1.00 0.00 C ATOM 832 O GLU A 54 -26.744 31.451 8.148 1.00 0.00 O ATOM 833 CB GLU A 54 -28.799 32.941 7.081 1.00 0.00 C ATOM 834 CG GLU A 54 -28.505 33.831 8.302 1.00 0.00 C ATOM 835 CD GLU A 54 -29.786 34.523 8.771 1.00 0.00 C ATOM 836 OE1 GLU A 54 -30.071 35.598 8.277 1.00 0.00 O ATOM 837 OE2 GLU A 54 -30.460 33.958 9.618 1.00 0.00 O ATOM 0 H GLU A 54 -30.318 32.394 9.020 1.00 0.00 H new ATOM 0 HA GLU A 54 -29.366 30.899 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -27.948 32.954 6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -29.653 33.337 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -28.092 33.227 9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -27.753 34.577 8.045 1.00 0.00 H new ATOM 844 N GLY A 55 -27.964 29.696 8.731 1.00 0.00 N ATOM 845 CA GLY A 55 -26.787 29.019 9.375 1.00 0.00 C ATOM 846 C GLY A 55 -25.558 29.066 8.454 1.00 0.00 C ATOM 847 O GLY A 55 -25.609 28.641 7.301 1.00 0.00 O ATOM 0 H GLY A 55 -28.838 29.172 8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -26.556 29.506 10.322 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -27.037 27.983 9.602 1.00 0.00 H new ATOM 943 N LYS A 62 -31.350 23.146 9.237 1.00 0.00 N ATOM 944 CA LYS A 62 -32.585 22.775 9.987 1.00 0.00 C ATOM 945 C LYS A 62 -32.374 23.089 11.474 1.00 0.00 C ATOM 946 O LYS A 62 -33.195 23.746 12.103 1.00 0.00 O ATOM 947 CB LYS A 62 -32.870 21.279 9.797 1.00 0.00 C ATOM 948 CG LYS A 62 -33.394 21.034 8.377 1.00 0.00 C ATOM 949 CD LYS A 62 -33.005 19.623 7.918 1.00 0.00 C ATOM 950 CE LYS A 62 -31.543 19.606 7.464 1.00 0.00 C ATOM 951 NZ LYS A 62 -31.466 20.006 6.027 1.00 0.00 N ATOM 0 HA LYS A 62 -33.436 23.344 9.613 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -31.962 20.701 9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -33.603 20.942 10.530 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -34.478 21.148 8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -32.981 21.776 7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -33.150 18.914 8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -33.652 19.306 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -30.953 20.289 8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -31.120 18.611 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -30.474 19.995 5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -32.017 19.338 5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -31.854 20.964 5.912 1.00 0.00 H new ATOM 965 N LYS A 63 -31.276 22.650 12.038 1.00 0.00 N ATOM 966 CA LYS A 63 -30.996 22.933 13.483 1.00 0.00 C ATOM 967 C LYS A 63 -30.989 24.451 13.738 1.00 0.00 C ATOM 968 O LYS A 63 -31.465 24.922 14.769 1.00 0.00 O ATOM 969 CB LYS A 63 -29.632 22.340 13.860 1.00 0.00 C ATOM 970 CG LYS A 63 -29.512 22.286 15.386 1.00 0.00 C ATOM 971 CD LYS A 63 -28.039 22.382 15.808 1.00 0.00 C ATOM 972 CE LYS A 63 -27.968 22.826 17.269 1.00 0.00 C ATOM 973 NZ LYS A 63 -26.563 22.739 17.761 1.00 0.00 N ATOM 0 H LYS A 63 -30.558 22.106 11.559 1.00 0.00 H new ATOM 0 HA LYS A 63 -31.777 22.479 14.094 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -29.528 21.340 13.439 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -28.830 22.947 13.441 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -30.079 23.103 15.831 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -29.945 21.358 15.759 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -27.548 21.417 15.684 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -27.511 23.093 15.172 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -28.333 23.849 17.365 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -28.616 22.198 17.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -26.524 23.043 18.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -26.229 21.757 17.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -25.955 23.357 17.186 1.00 0.00 H new ATOM 987 N ARG A 64 -30.465 25.228 12.822 1.00 0.00 N ATOM 988 CA ARG A 64 -30.444 26.711 13.027 1.00 0.00 C ATOM 989 C ARG A 64 -31.875 27.256 12.966 1.00 0.00 C ATOM 990 O ARG A 64 -32.329 27.948 13.876 1.00 0.00 O ATOM 991 CB ARG A 64 -29.589 27.385 11.942 1.00 0.00 C ATOM 992 CG ARG A 64 -28.437 28.167 12.594 1.00 0.00 C ATOM 993 CD ARG A 64 -28.970 29.028 13.746 1.00 0.00 C ATOM 994 NE ARG A 64 -28.168 28.748 14.975 1.00 0.00 N ATOM 995 CZ ARG A 64 -28.651 28.006 15.914 1.00 0.00 C ATOM 996 NH1 ARG A 64 -28.550 26.728 15.835 1.00 0.00 N ATOM 997 NH2 ARG A 64 -29.233 28.547 16.925 1.00 0.00 N ATOM 0 H ARG A 64 -30.054 24.903 11.947 1.00 0.00 H new ATOM 0 HA ARG A 64 -30.011 26.928 14.003 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -29.190 26.633 11.262 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -30.206 28.058 11.347 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -27.682 27.475 12.966 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -27.951 28.800 11.852 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -28.905 30.085 13.487 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -30.022 28.807 13.925 1.00 0.00 H new ATOM 0 HE ARG A 64 -27.234 29.145 15.072 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -28.089 26.302 15.031 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -28.931 26.140 16.576 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -29.313 29.562 16.985 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -29.615 27.961 17.667 1.00 0.00 H new ATOM 1011 N ALA A 65 -32.596 26.950 11.918 1.00 0.00 N ATOM 1012 CA ALA A 65 -34.000 27.442 11.808 1.00 0.00 C ATOM 1013 C ALA A 65 -34.849 26.811 12.929 1.00 0.00 C ATOM 1014 O ALA A 65 -35.695 27.465 13.539 1.00 0.00 O ATOM 1015 CB ALA A 65 -34.567 27.044 10.441 1.00 0.00 C ATOM 0 H ALA A 65 -32.273 26.381 11.135 1.00 0.00 H new ATOM 0 HA ALA A 65 -34.022 28.527 11.907 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -35.593 27.401 10.355 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -33.961 27.489 9.652 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -34.551 25.959 10.342 1.00 0.00 H new ATOM 1021 N ALA A 66 -34.626 25.548 13.214 1.00 0.00 N ATOM 1022 CA ALA A 66 -35.400 24.857 14.292 1.00 0.00 C ATOM 1023 C ALA A 66 -35.179 25.564 15.632 1.00 0.00 C ATOM 1024 O ALA A 66 -36.131 25.935 16.308 1.00 0.00 O ATOM 1025 CB ALA A 66 -34.939 23.401 14.396 1.00 0.00 C ATOM 0 H ALA A 66 -33.936 24.964 12.742 1.00 0.00 H new ATOM 0 HA ALA A 66 -36.462 24.887 14.047 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -35.502 22.896 15.181 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -35.110 22.896 13.445 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -33.876 23.372 14.636 1.00 0.00 H new ATOM 1031 N GLU A 67 -33.947 25.773 16.024 1.00 0.00 N ATOM 1032 CA GLU A 67 -33.679 26.478 17.317 1.00 0.00 C ATOM 1033 C GLU A 67 -34.378 27.844 17.302 1.00 0.00 C ATOM 1034 O GLU A 67 -34.948 28.286 18.303 1.00 0.00 O ATOM 1035 CB GLU A 67 -32.173 26.689 17.476 1.00 0.00 C ATOM 1036 CG GLU A 67 -31.583 25.647 18.437 1.00 0.00 C ATOM 1037 CD GLU A 67 -30.102 25.941 18.634 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -29.779 26.735 19.494 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -29.314 25.402 17.897 1.00 0.00 O ATOM 0 H GLU A 67 -33.116 25.487 15.506 1.00 0.00 H new ATOM 0 HA GLU A 67 -34.056 25.878 18.145 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -31.685 26.614 16.504 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -31.978 27.693 17.854 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -32.104 25.679 19.394 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -31.718 24.643 18.034 1.00 0.00 H new ATOM 1046 N LYS A 68 -34.359 28.511 16.174 1.00 0.00 N ATOM 1047 CA LYS A 68 -35.036 29.837 16.066 1.00 0.00 C ATOM 1048 C LYS A 68 -36.545 29.629 16.286 1.00 0.00 C ATOM 1049 O LYS A 68 -37.189 30.376 17.020 1.00 0.00 O ATOM 1050 CB LYS A 68 -34.749 30.432 14.673 1.00 0.00 C ATOM 1051 CG LYS A 68 -35.774 31.518 14.320 1.00 0.00 C ATOM 1052 CD LYS A 68 -35.500 32.798 15.128 1.00 0.00 C ATOM 1053 CE LYS A 68 -36.834 33.350 15.631 1.00 0.00 C ATOM 1054 NZ LYS A 68 -36.772 34.832 15.801 1.00 0.00 N ATOM 0 H LYS A 68 -33.901 28.191 15.321 1.00 0.00 H new ATOM 0 HA LYS A 68 -34.664 30.533 16.818 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -33.744 30.854 14.653 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -34.777 29.642 13.923 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -35.728 31.737 13.253 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -36.781 31.158 14.528 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -34.839 32.582 15.967 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -34.995 33.537 14.507 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -37.626 33.094 14.927 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -37.090 32.882 16.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -37.632 35.162 16.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -35.938 35.082 16.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -36.704 35.286 14.868 1.00 0.00 H new ATOM 1068 N MET A 69 -37.110 28.608 15.690 1.00 0.00 N ATOM 1069 CA MET A 69 -38.567 28.323 15.885 1.00 0.00 C ATOM 1070 C MET A 69 -38.810 27.885 17.341 1.00 0.00 C ATOM 1071 O MET A 69 -39.684 28.415 18.028 1.00 0.00 O ATOM 1072 CB MET A 69 -38.991 27.202 14.929 1.00 0.00 C ATOM 1073 CG MET A 69 -40.506 26.996 15.007 1.00 0.00 C ATOM 1074 SD MET A 69 -40.910 25.326 14.440 1.00 0.00 S ATOM 1075 CE MET A 69 -41.021 25.711 12.676 1.00 0.00 C ATOM 0 H MET A 69 -36.623 27.957 15.074 1.00 0.00 H new ATOM 0 HA MET A 69 -39.152 29.219 15.677 1.00 0.00 H new ATOM 0 HB2 MET A 69 -38.701 27.453 13.909 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.476 26.277 15.188 1.00 0.00 H new ATOM 0 HG2 MET A 69 -40.852 27.139 16.031 1.00 0.00 H new ATOM 0 HG3 MET A 69 -41.018 27.736 14.391 1.00 0.00 H new ATOM 0 HE1 MET A 69 -40.686 24.852 12.094 1.00 0.00 H new ATOM 0 HE2 MET A 69 -42.055 25.942 12.418 1.00 0.00 H new ATOM 0 HE3 MET A 69 -40.390 26.571 12.451 1.00 0.00 H new ATOM 1085 N LEU A 70 -38.050 26.930 17.821 1.00 0.00 N ATOM 1086 CA LEU A 70 -38.217 26.449 19.229 1.00 0.00 C ATOM 1087 C LEU A 70 -38.204 27.639 20.198 1.00 0.00 C ATOM 1088 O LEU A 70 -39.080 27.767 21.048 1.00 0.00 O ATOM 1089 CB LEU A 70 -37.074 25.488 19.582 1.00 0.00 C ATOM 1090 CG LEU A 70 -37.210 24.197 18.774 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -36.016 23.291 19.063 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -38.497 23.474 19.173 1.00 0.00 C ATOM 0 H LEU A 70 -37.315 26.459 17.293 1.00 0.00 H new ATOM 0 HA LEU A 70 -39.171 25.930 19.316 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -36.114 25.959 19.372 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -37.093 25.263 20.648 1.00 0.00 H new ATOM 0 HG LEU A 70 -37.242 24.438 17.711 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -36.111 22.370 18.488 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -35.095 23.802 18.781 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -35.988 23.054 20.126 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -38.592 22.554 18.596 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -38.465 23.234 20.236 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -39.353 24.118 18.972 1.00 0.00 H new ATOM 1104 N VAL A 71 -37.238 28.518 20.089 1.00 0.00 N ATOM 1105 CA VAL A 71 -37.202 29.697 21.012 1.00 0.00 C ATOM 1106 C VAL A 71 -38.391 30.624 20.704 1.00 0.00 C ATOM 1107 O VAL A 71 -38.968 31.233 21.605 1.00 0.00 O ATOM 1108 CB VAL A 71 -35.869 30.452 20.852 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -35.860 31.267 19.557 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -35.677 31.401 22.034 1.00 0.00 C ATOM 0 H VAL A 71 -36.480 28.472 19.408 1.00 0.00 H new ATOM 0 HA VAL A 71 -37.279 29.355 22.044 1.00 0.00 H new ATOM 0 HB VAL A 71 -35.061 29.721 20.818 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -34.909 31.792 19.464 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -35.990 30.599 18.706 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -36.674 31.991 19.577 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -34.734 31.936 21.922 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -36.499 32.117 22.063 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -35.661 30.829 22.961 1.00 0.00 H new ATOM 1120 N GLU A 72 -38.774 30.727 19.452 1.00 0.00 N ATOM 1121 CA GLU A 72 -39.933 31.600 19.081 1.00 0.00 C ATOM 1122 C GLU A 72 -41.212 31.073 19.752 1.00 0.00 C ATOM 1123 O GLU A 72 -41.964 31.824 20.371 1.00 0.00 O ATOM 1124 CB GLU A 72 -40.110 31.589 17.555 1.00 0.00 C ATOM 1125 CG GLU A 72 -40.745 32.912 17.099 1.00 0.00 C ATOM 1126 CD GLU A 72 -39.706 33.780 16.396 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -38.964 34.467 17.080 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -39.662 33.742 15.180 1.00 0.00 O ATOM 0 H GLU A 72 -38.332 30.243 18.670 1.00 0.00 H new ATOM 0 HA GLU A 72 -39.744 32.619 19.419 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -39.145 31.451 17.068 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -40.740 30.750 17.258 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -41.578 32.711 16.425 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -41.152 33.444 17.959 1.00 0.00 H new ATOM 1135 N LEU A 73 -41.475 29.794 19.641 1.00 0.00 N ATOM 1136 CA LEU A 73 -42.709 29.221 20.274 1.00 0.00 C ATOM 1137 C LEU A 73 -42.497 28.996 21.781 1.00 0.00 C ATOM 1138 O LEU A 73 -43.441 29.063 22.559 1.00 0.00 O ATOM 1139 CB LEU A 73 -43.085 27.898 19.597 1.00 0.00 C ATOM 1140 CG LEU A 73 -41.887 26.949 19.575 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -42.088 25.846 20.608 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -41.780 26.327 18.189 1.00 0.00 C ATOM 0 H LEU A 73 -40.892 29.122 19.142 1.00 0.00 H new ATOM 0 HA LEU A 73 -43.522 29.935 20.142 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -43.915 27.433 20.129 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -43.425 28.087 18.579 1.00 0.00 H new ATOM 0 HG LEU A 73 -40.976 27.500 19.810 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -41.233 25.171 20.590 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -42.180 26.289 21.600 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -42.995 25.289 20.374 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -40.928 25.647 18.160 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -42.693 25.775 17.967 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -41.642 27.113 17.447 1.00 0.00 H new ATOM 1154 N GLN A 74 -41.287 28.744 22.216 1.00 0.00 N ATOM 1155 CA GLN A 74 -41.049 28.533 23.682 1.00 0.00 C ATOM 1156 C GLN A 74 -41.094 29.880 24.433 1.00 0.00 C ATOM 1157 O GLN A 74 -40.835 29.943 25.635 1.00 0.00 O ATOM 1158 CB GLN A 74 -39.682 27.874 23.889 1.00 0.00 C ATOM 1159 CG GLN A 74 -39.807 26.360 23.675 1.00 0.00 C ATOM 1160 CD GLN A 74 -38.461 25.684 23.936 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -38.332 24.878 24.846 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -37.444 25.966 23.181 1.00 0.00 N ATOM 0 H GLN A 74 -40.458 28.675 21.626 1.00 0.00 H new ATOM 0 HA GLN A 74 -41.832 27.885 24.077 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -38.956 28.292 23.192 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -39.315 28.081 24.894 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -40.565 25.951 24.343 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -40.136 26.154 22.656 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -37.545 26.638 22.420 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -36.544 25.516 23.349 1.00 0.00 H new ATOM 1171 N LYS A 75 -41.414 30.955 23.757 1.00 0.00 N ATOM 1172 CA LYS A 75 -41.478 32.283 24.435 1.00 0.00 C ATOM 1173 C LYS A 75 -42.935 32.783 24.512 1.00 0.00 C ATOM 1174 O LYS A 75 -43.202 33.840 25.089 1.00 0.00 O ATOM 1175 CB LYS A 75 -40.627 33.285 23.647 1.00 0.00 C ATOM 1176 CG LYS A 75 -40.220 34.445 24.560 1.00 0.00 C ATOM 1177 CD LYS A 75 -39.174 33.958 25.570 1.00 0.00 C ATOM 1178 CE LYS A 75 -39.504 34.498 26.963 1.00 0.00 C ATOM 1179 NZ LYS A 75 -39.390 35.989 26.954 1.00 0.00 N ATOM 0 H LYS A 75 -41.634 30.968 22.761 1.00 0.00 H new ATOM 0 HA LYS A 75 -41.095 32.186 25.451 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -39.739 32.791 23.252 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -41.189 33.662 22.793 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -39.814 35.264 23.966 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -41.094 34.833 25.084 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -39.153 32.868 25.588 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -38.181 34.291 25.267 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -40.512 34.200 27.252 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -38.823 34.074 27.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -39.446 36.347 27.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -38.479 36.265 26.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -40.166 36.393 26.392 1.00 0.00 H new ATOM 1193 N LEU A 76 -43.872 32.059 23.942 1.00 0.00 N ATOM 1194 CA LEU A 76 -45.298 32.489 23.979 1.00 0.00 C ATOM 1195 C LEU A 76 -46.067 31.687 25.046 1.00 0.00 C ATOM 1196 O LEU A 76 -46.694 32.311 25.888 1.00 0.00 O ATOM 1197 CB LEU A 76 -45.917 32.237 22.601 1.00 0.00 C ATOM 1198 CG LEU A 76 -45.289 33.178 21.572 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -45.416 32.566 20.180 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -46.018 34.518 21.599 1.00 0.00 C ATOM 1201 OXT LEU A 76 -46.023 30.463 25.001 1.00 0.00 O ATOM 0 H LEU A 76 -43.702 31.182 23.450 1.00 0.00 H new ATOM 0 HA LEU A 76 -45.356 33.548 24.231 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -45.758 31.200 22.304 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -46.995 32.395 22.642 1.00 0.00 H new ATOM 0 HG LEU A 76 -44.236 33.328 21.812 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -44.969 33.236 19.446 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -44.901 31.606 20.156 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -46.469 32.418 19.942 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -45.572 35.190 20.866 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -47.070 34.365 21.358 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -45.934 34.958 22.593 1.00 0.00 H new