USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 434 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 30 ASN : amide:sc= -3.36! C(o=-6.5!,f=-6.8!) USER MOD Set 1.2: A 41 MET CE :methyl -106:sc= -3.1! (180deg=-6.15!) USER MOD Single : A 12 MET CE :methyl -115:sc= -1.1 (180deg=-1.39) USER MOD Single : A 13 ASN : amide:sc= -4.43 K(o=-4.4,f=-10!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 34 HIS : no HD1:sc= -5.5! C(o=-5.5!,f=-4.3!) USER MOD Single : A 35 ASN : amide:sc= -0.0369 X(o=-0.037,f=-0.028) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= -0.254 (180deg=-0.472) USER MOD ----------------------------------------------------------------- ATOM 147 N MET A 12 -1.861 4.872 -5.403 1.00 0.00 N ATOM 148 CA MET A 12 -2.578 4.044 -4.441 1.00 0.00 C ATOM 149 C MET A 12 -3.178 4.898 -3.329 1.00 0.00 C ATOM 150 O MET A 12 -2.645 5.952 -2.988 1.00 0.00 O ATOM 151 CB MET A 12 -1.642 2.992 -3.843 1.00 0.00 C ATOM 152 CG MET A 12 -0.540 2.549 -4.792 1.00 0.00 C ATOM 153 SD MET A 12 0.126 0.926 -4.375 1.00 0.00 S ATOM 154 CE MET A 12 0.757 1.233 -2.727 1.00 0.00 C ATOM 0 HA MET A 12 -3.390 3.541 -4.967 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.190 3.394 -2.936 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.228 2.122 -3.548 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.930 2.527 -5.810 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.266 3.283 -4.775 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.842 1.128 -2.727 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.490 2.244 -2.418 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.323 0.514 -2.032 1.00 0.00 H new ATOM 164 N ASN A 13 -4.292 4.436 -2.769 1.00 0.00 N ATOM 165 CA ASN A 13 -4.964 5.159 -1.696 1.00 0.00 C ATOM 166 C ASN A 13 -4.530 4.635 -0.331 1.00 0.00 C ATOM 167 O ASN A 13 -3.640 3.790 -0.233 1.00 0.00 O ATOM 168 CB ASN A 13 -6.482 5.035 -1.843 1.00 0.00 C ATOM 169 CG ASN A 13 -7.008 3.714 -1.315 1.00 0.00 C ATOM 170 OD1 ASN A 13 -7.605 3.656 -0.240 1.00 0.00 O ATOM 171 ND2 ASN A 13 -6.788 2.645 -2.072 1.00 0.00 N ATOM 0 H ASN A 13 -4.748 3.565 -3.041 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.683 6.210 -1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.964 5.854 -1.310 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.752 5.136 -2.894 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.119 1.729 -1.769 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.288 2.740 -2.956 1.00 0.00 H new ATOM 178 N ALA A 14 -5.165 5.141 0.721 1.00 0.00 N ATOM 179 CA ALA A 14 -4.846 4.723 2.080 1.00 0.00 C ATOM 180 C ALA A 14 -4.988 3.212 2.237 1.00 0.00 C ATOM 181 O ALA A 14 -4.112 2.551 2.795 1.00 0.00 O ATOM 182 CB ALA A 14 -5.740 5.445 3.078 1.00 0.00 C ATOM 0 H ALA A 14 -5.904 5.841 0.658 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.808 4.987 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.491 5.123 4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.587 6.521 2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.783 5.209 2.869 1.00 0.00 H new ATOM 188 N PHE A 15 -6.096 2.672 1.742 1.00 0.00 N ATOM 189 CA PHE A 15 -6.353 1.239 1.828 1.00 0.00 C ATOM 190 C PHE A 15 -5.288 0.449 1.075 1.00 0.00 C ATOM 191 O PHE A 15 -4.685 -0.476 1.619 1.00 0.00 O ATOM 192 CB PHE A 15 -7.739 0.913 1.266 1.00 0.00 C ATOM 193 CG PHE A 15 -7.925 -0.540 0.938 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.585 -1.031 -0.312 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.441 -1.416 1.880 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.756 -2.368 -0.617 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.615 -2.754 1.581 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.271 -3.231 0.331 1.00 0.00 C ATOM 0 H PHE A 15 -6.831 3.205 1.277 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.318 0.952 2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.496 1.214 1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.906 1.505 0.366 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.182 -0.361 -1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.710 -1.049 2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.487 -2.738 -1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.019 -3.426 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.404 -4.276 0.095 1.00 0.00 H new ATOM 208 N MET A 16 -5.061 0.821 -0.181 1.00 0.00 N ATOM 209 CA MET A 16 -4.068 0.148 -1.010 1.00 0.00 C ATOM 210 C MET A 16 -2.700 0.158 -0.335 1.00 0.00 C ATOM 211 O MET A 16 -2.114 -0.894 -0.082 1.00 0.00 O ATOM 212 CB MET A 16 -3.978 0.818 -2.382 1.00 0.00 C ATOM 213 CG MET A 16 -5.181 0.547 -3.271 1.00 0.00 C ATOM 214 SD MET A 16 -5.011 -0.973 -4.226 1.00 0.00 S ATOM 215 CE MET A 16 -4.197 -0.357 -5.698 1.00 0.00 C ATOM 0 H MET A 16 -5.551 1.585 -0.647 1.00 0.00 H new ATOM 0 HA MET A 16 -4.382 -0.888 -1.140 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.873 1.894 -2.245 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.077 0.471 -2.888 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.077 0.485 -2.654 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.320 1.386 -3.953 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.022 -1.181 -6.389 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.829 0.391 -6.177 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.244 0.095 -5.424 1.00 0.00 H new ATOM 225 N VAL A 17 -2.196 1.354 -0.047 1.00 0.00 N ATOM 226 CA VAL A 17 -0.898 1.501 0.599 1.00 0.00 C ATOM 227 C VAL A 17 -0.737 0.506 1.743 1.00 0.00 C ATOM 228 O VAL A 17 0.050 -0.436 1.655 1.00 0.00 O ATOM 229 CB VAL A 17 -0.699 2.928 1.143 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.651 3.055 1.830 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.834 3.948 0.022 1.00 0.00 C ATOM 0 H VAL A 17 -2.668 2.235 -0.251 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.143 1.302 -0.161 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.475 3.128 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.773 4.070 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.705 2.350 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.445 2.836 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.691 4.951 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.081 3.752 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.827 3.873 -0.421 1.00 0.00 H new ATOM 241 N TRP A 18 -1.489 0.722 2.817 1.00 0.00 N ATOM 242 CA TRP A 18 -1.430 -0.156 3.980 1.00 0.00 C ATOM 243 C TRP A 18 -1.536 -1.619 3.563 1.00 0.00 C ATOM 244 O TRP A 18 -0.880 -2.487 4.138 1.00 0.00 O ATOM 245 CB TRP A 18 -2.551 0.189 4.962 1.00 0.00 C ATOM 246 CG TRP A 18 -2.957 -0.964 5.829 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.552 -1.208 7.110 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.845 -2.030 5.477 1.00 0.00 C ATOM 249 NE1 TRP A 18 -3.135 -2.362 7.576 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.934 -2.884 6.593 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.576 -2.344 4.328 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.723 -4.031 6.592 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.359 -3.483 4.328 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.428 -4.315 5.454 1.00 0.00 C ATOM 0 H TRP A 18 -2.146 1.497 2.906 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.468 -0.006 4.470 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.228 1.015 5.596 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.419 0.537 4.403 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.873 -0.586 7.674 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.996 -2.764 8.503 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.530 -1.708 3.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.777 -4.674 7.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -5.927 -3.736 3.445 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.050 -5.198 5.423 1.00 0.00 H new ATOM 265 N ALA A 19 -2.366 -1.885 2.559 1.00 0.00 N ATOM 266 CA ALA A 19 -2.555 -3.243 2.065 1.00 0.00 C ATOM 267 C ALA A 19 -1.274 -3.783 1.438 1.00 0.00 C ATOM 268 O ALA A 19 -0.962 -4.968 1.559 1.00 0.00 O ATOM 269 CB ALA A 19 -3.695 -3.284 1.058 1.00 0.00 C ATOM 0 H ALA A 19 -2.918 -1.178 2.073 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.810 -3.879 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.825 -4.304 0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.615 -2.948 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.462 -2.629 0.218 1.00 0.00 H new ATOM 275 N LYS A 20 -0.534 -2.906 0.767 1.00 0.00 N ATOM 276 CA LYS A 20 0.714 -3.293 0.121 1.00 0.00 C ATOM 277 C LYS A 20 1.520 -4.232 1.012 1.00 0.00 C ATOM 278 O LYS A 20 2.237 -5.105 0.523 1.00 0.00 O ATOM 279 CB LYS A 20 1.545 -2.052 -0.214 1.00 0.00 C ATOM 280 CG LYS A 20 2.398 -1.562 0.943 1.00 0.00 C ATOM 281 CD LYS A 20 2.685 -0.073 0.833 1.00 0.00 C ATOM 282 CE LYS A 20 3.830 0.204 -0.128 1.00 0.00 C ATOM 283 NZ LYS A 20 4.567 1.447 0.231 1.00 0.00 N ATOM 0 H LYS A 20 -0.778 -1.922 0.657 1.00 0.00 H new ATOM 0 HA LYS A 20 0.468 -3.819 -0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.192 -2.276 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.876 -1.250 -0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.888 -1.767 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.338 -2.114 0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.789 0.447 0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.931 0.325 1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.519 -0.641 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.440 0.293 -1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.340 1.601 -0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.915 2.257 0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.961 1.352 1.189 1.00 0.00 H new ATOM 297 N ASP A 21 1.395 -4.049 2.322 1.00 0.00 N ATOM 298 CA ASP A 21 2.110 -4.882 3.282 1.00 0.00 C ATOM 299 C ASP A 21 1.283 -6.107 3.661 1.00 0.00 C ATOM 300 O ASP A 21 1.830 -7.152 4.012 1.00 0.00 O ATOM 301 CB ASP A 21 2.451 -4.075 4.536 1.00 0.00 C ATOM 302 CG ASP A 21 3.402 -4.812 5.458 1.00 0.00 C ATOM 303 OD1 ASP A 21 3.041 -5.913 5.926 1.00 0.00 O ATOM 304 OD2 ASP A 21 4.507 -4.290 5.712 1.00 0.00 O ATOM 0 H ASP A 21 0.805 -3.331 2.743 1.00 0.00 H new ATOM 0 HA ASP A 21 3.034 -5.220 2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.897 -3.125 4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.533 -3.843 5.076 1.00 0.00 H new ATOM 309 N GLU A 22 -0.037 -5.969 3.586 1.00 0.00 N ATOM 310 CA GLU A 22 -0.939 -7.065 3.923 1.00 0.00 C ATOM 311 C GLU A 22 -1.116 -8.008 2.737 1.00 0.00 C ATOM 312 O GLU A 22 -0.809 -9.197 2.825 1.00 0.00 O ATOM 313 CB GLU A 22 -2.299 -6.519 4.362 1.00 0.00 C ATOM 314 CG GLU A 22 -2.400 -6.264 5.856 1.00 0.00 C ATOM 315 CD GLU A 22 -1.383 -5.252 6.346 1.00 0.00 C ATOM 316 OE1 GLU A 22 -1.545 -4.053 6.036 1.00 0.00 O ATOM 317 OE2 GLU A 22 -0.427 -5.658 7.038 1.00 0.00 O ATOM 0 H GLU A 22 -0.505 -5.111 3.295 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.497 -7.625 4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.497 -5.589 3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.076 -7.225 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.403 -5.909 6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.259 -7.203 6.391 1.00 0.00 H new ATOM 324 N ARG A 23 -1.612 -7.469 1.629 1.00 0.00 N ATOM 325 CA ARG A 23 -1.832 -8.262 0.425 1.00 0.00 C ATOM 326 C ARG A 23 -0.614 -9.129 0.115 1.00 0.00 C ATOM 327 O ARG A 23 -0.745 -10.311 -0.203 1.00 0.00 O ATOM 328 CB ARG A 23 -2.138 -7.350 -0.764 1.00 0.00 C ATOM 329 CG ARG A 23 -2.397 -8.103 -2.058 1.00 0.00 C ATOM 330 CD ARG A 23 -1.960 -7.295 -3.270 1.00 0.00 C ATOM 331 NE ARG A 23 -0.512 -7.330 -3.459 1.00 0.00 N ATOM 332 CZ ARG A 23 0.147 -8.401 -3.886 1.00 0.00 C ATOM 333 NH1 ARG A 23 -0.508 -9.518 -4.169 1.00 0.00 N ATOM 334 NH2 ARG A 23 1.465 -8.356 -4.033 1.00 0.00 N ATOM 0 H ARG A 23 -1.869 -6.486 1.539 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.686 -8.915 0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.010 -6.740 -0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.301 -6.667 -0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.863 -9.053 -2.041 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.459 -8.336 -2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.451 -7.685 -4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.285 -6.261 -3.153 1.00 0.00 H new ATOM 0 HE ARG A 23 0.022 -6.486 -3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.521 -9.557 -4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.001 -10.339 -4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.973 -7.498 -3.818 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.970 -9.179 -4.361 1.00 0.00 H new ATOM 348 N LYS A 24 0.569 -8.532 0.210 1.00 0.00 N ATOM 349 CA LYS A 24 1.811 -9.248 -0.059 1.00 0.00 C ATOM 350 C LYS A 24 1.889 -10.530 0.763 1.00 0.00 C ATOM 351 O LYS A 24 2.470 -11.524 0.327 1.00 0.00 O ATOM 352 CB LYS A 24 3.015 -8.356 0.253 1.00 0.00 C ATOM 353 CG LYS A 24 3.203 -8.084 1.735 1.00 0.00 C ATOM 354 CD LYS A 24 4.668 -7.878 2.083 1.00 0.00 C ATOM 355 CE LYS A 24 5.332 -9.183 2.494 1.00 0.00 C ATOM 356 NZ LYS A 24 6.811 -9.128 2.331 1.00 0.00 N ATOM 0 H LYS A 24 0.694 -7.554 0.471 1.00 0.00 H new ATOM 0 HA LYS A 24 1.827 -9.514 -1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.917 -8.827 -0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.898 -7.407 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.633 -7.199 2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.805 -8.918 2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.191 -7.457 1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.752 -7.155 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.089 -9.402 3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.931 -10.000 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.226 -10.036 2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.044 -8.944 1.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.197 -8.365 2.923 1.00 0.00 H new ATOM 370 N ARG A 25 1.298 -10.502 1.953 1.00 0.00 N ATOM 371 CA ARG A 25 1.300 -11.663 2.835 1.00 0.00 C ATOM 372 C ARG A 25 0.156 -12.611 2.490 1.00 0.00 C ATOM 373 O ARG A 25 0.125 -13.755 2.944 1.00 0.00 O ATOM 374 CB ARG A 25 1.187 -11.221 4.296 1.00 0.00 C ATOM 375 CG ARG A 25 -0.239 -11.213 4.821 1.00 0.00 C ATOM 376 CD ARG A 25 -0.443 -10.125 5.863 1.00 0.00 C ATOM 377 NE ARG A 25 -0.137 -10.595 7.212 1.00 0.00 N ATOM 378 CZ ARG A 25 -0.925 -11.411 7.902 1.00 0.00 C ATOM 379 NH1 ARG A 25 -2.061 -11.845 7.373 1.00 0.00 N ATOM 380 NH2 ARG A 25 -0.578 -11.794 9.124 1.00 0.00 N ATOM 0 H ARG A 25 0.812 -9.688 2.329 1.00 0.00 H new ATOM 0 HA ARG A 25 2.242 -12.192 2.694 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.790 -11.885 4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.608 -10.221 4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.932 -11.060 3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.473 -12.184 5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.191 -9.271 5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.475 -9.776 5.826 1.00 0.00 H new ATOM 0 HE ARG A 25 0.729 -10.279 7.648 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.331 -11.552 6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.665 -12.472 7.905 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.295 -11.462 9.534 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.184 -12.421 9.653 1.00 0.00 H new ATOM 394 N LEU A 26 -0.783 -12.127 1.684 1.00 0.00 N ATOM 395 CA LEU A 26 -1.930 -12.931 1.277 1.00 0.00 C ATOM 396 C LEU A 26 -1.573 -13.834 0.101 1.00 0.00 C ATOM 397 O LEU A 26 -2.006 -14.984 0.034 1.00 0.00 O ATOM 398 CB LEU A 26 -3.105 -12.026 0.902 1.00 0.00 C ATOM 399 CG LEU A 26 -3.546 -11.023 1.968 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.802 -10.289 1.524 1.00 0.00 C ATOM 401 CD2 LEU A 26 -3.779 -11.725 3.298 1.00 0.00 C ATOM 0 H LEU A 26 -0.773 -11.182 1.300 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.218 -13.560 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.839 -11.474 0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.958 -12.657 0.650 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.750 -10.291 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.101 -9.579 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.601 -9.753 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.605 -11.008 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.092 -10.995 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.556 -12.480 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.855 -12.203 3.624 1.00 0.00 H new ATOM 413 N ALA A 27 -0.779 -13.305 -0.825 1.00 0.00 N ATOM 414 CA ALA A 27 -0.360 -14.064 -1.996 1.00 0.00 C ATOM 415 C ALA A 27 0.317 -15.369 -1.592 1.00 0.00 C ATOM 416 O ALA A 27 -0.024 -16.438 -2.098 1.00 0.00 O ATOM 417 CB ALA A 27 0.573 -13.229 -2.861 1.00 0.00 C ATOM 0 H ALA A 27 -0.413 -12.354 -0.786 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.250 -14.311 -2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.878 -13.809 -3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.056 -12.327 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.455 -12.952 -2.283 1.00 0.00 H new ATOM 423 N GLN A 28 1.277 -15.273 -0.677 1.00 0.00 N ATOM 424 CA GLN A 28 2.002 -16.447 -0.207 1.00 0.00 C ATOM 425 C GLN A 28 1.087 -17.369 0.593 1.00 0.00 C ATOM 426 O GLN A 28 1.172 -18.591 0.482 1.00 0.00 O ATOM 427 CB GLN A 28 3.196 -16.025 0.652 1.00 0.00 C ATOM 428 CG GLN A 28 2.822 -15.110 1.806 1.00 0.00 C ATOM 429 CD GLN A 28 3.870 -15.094 2.901 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.999 -15.544 2.703 1.00 0.00 O ATOM 431 NE2 GLN A 28 3.502 -14.573 4.066 1.00 0.00 N ATOM 0 H GLN A 28 1.570 -14.396 -0.247 1.00 0.00 H new ATOM 0 HA GLN A 28 2.364 -16.992 -1.079 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.681 -16.917 1.049 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.927 -15.519 0.021 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.679 -14.097 1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.869 -15.431 2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.556 -14.211 4.187 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.165 -14.535 4.840 1.00 0.00 H new ATOM 440 N GLN A 29 0.213 -16.773 1.398 1.00 0.00 N ATOM 441 CA GLN A 29 -0.717 -17.541 2.217 1.00 0.00 C ATOM 442 C GLN A 29 -1.729 -18.279 1.346 1.00 0.00 C ATOM 443 O GLN A 29 -2.194 -19.361 1.699 1.00 0.00 O ATOM 444 CB GLN A 29 -1.446 -16.621 3.198 1.00 0.00 C ATOM 445 CG GLN A 29 -0.723 -16.450 4.524 1.00 0.00 C ATOM 446 CD GLN A 29 -1.659 -16.064 5.653 1.00 0.00 C ATOM 447 OE1 GLN A 29 -2.669 -16.727 5.892 1.00 0.00 O ATOM 448 NE2 GLN A 29 -1.327 -14.987 6.355 1.00 0.00 N ATOM 0 H GLN A 29 0.130 -15.762 1.500 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.143 -18.278 2.779 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.577 -15.642 2.736 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.442 -17.021 3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.216 -17.380 4.780 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.047 -15.686 4.418 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.481 -14.467 6.122 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.918 -14.679 7.127 1.00 0.00 H new ATOM 457 N ASN A 30 -2.064 -17.685 0.205 1.00 0.00 N ATOM 458 CA ASN A 30 -3.021 -18.285 -0.717 1.00 0.00 C ATOM 459 C ASN A 30 -2.514 -18.208 -2.154 1.00 0.00 C ATOM 460 O ASN A 30 -2.877 -17.315 -2.919 1.00 0.00 O ATOM 461 CB ASN A 30 -4.377 -17.586 -0.604 1.00 0.00 C ATOM 462 CG ASN A 30 -4.964 -17.684 0.790 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.240 -18.778 1.284 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.158 -16.538 1.433 1.00 0.00 N ATOM 0 H ASN A 30 -1.687 -16.789 -0.103 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.138 -19.335 -0.448 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.265 -16.536 -0.875 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.071 -18.028 -1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.550 -16.542 2.375 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.915 -15.654 0.985 1.00 0.00 H new ATOM 471 N PRO A 31 -1.655 -19.167 -2.531 1.00 0.00 N ATOM 472 CA PRO A 31 -1.081 -19.230 -3.878 1.00 0.00 C ATOM 473 C PRO A 31 -2.116 -19.607 -4.932 1.00 0.00 C ATOM 474 O PRO A 31 -1.828 -19.602 -6.129 1.00 0.00 O ATOM 475 CB PRO A 31 -0.017 -20.324 -3.759 1.00 0.00 C ATOM 476 CG PRO A 31 -0.481 -21.183 -2.634 1.00 0.00 C ATOM 477 CD PRO A 31 -1.179 -20.263 -1.671 1.00 0.00 C ATOM 0 HA PRO A 31 -0.687 -18.266 -4.199 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.069 -20.895 -4.684 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.966 -19.900 -3.554 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.157 -21.961 -2.990 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.359 -21.685 -2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.004 -20.763 -1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.501 -19.902 -0.898 1.00 0.00 H new ATOM 485 N ASP A 32 -3.322 -19.933 -4.480 1.00 0.00 N ATOM 486 CA ASP A 32 -4.402 -20.311 -5.385 1.00 0.00 C ATOM 487 C ASP A 32 -5.457 -19.212 -5.462 1.00 0.00 C ATOM 488 O ASP A 32 -6.295 -19.203 -6.364 1.00 0.00 O ATOM 489 CB ASP A 32 -5.044 -21.622 -4.928 1.00 0.00 C ATOM 490 CG ASP A 32 -4.382 -22.838 -5.546 1.00 0.00 C ATOM 491 OD1 ASP A 32 -3.781 -22.699 -6.632 1.00 0.00 O ATOM 492 OD2 ASP A 32 -4.465 -23.928 -4.943 1.00 0.00 O ATOM 0 H ASP A 32 -3.577 -19.943 -3.492 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.977 -20.451 -6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.985 -21.693 -3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.102 -21.616 -5.190 1.00 0.00 H new ATOM 497 N LEU A 33 -5.410 -18.288 -4.509 1.00 0.00 N ATOM 498 CA LEU A 33 -6.363 -17.184 -4.467 1.00 0.00 C ATOM 499 C LEU A 33 -5.851 -15.992 -5.269 1.00 0.00 C ATOM 500 O LEU A 33 -4.646 -15.837 -5.471 1.00 0.00 O ATOM 501 CB LEU A 33 -6.625 -16.765 -3.019 1.00 0.00 C ATOM 502 CG LEU A 33 -7.412 -17.758 -2.165 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.710 -17.167 -0.796 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.701 -18.161 -2.866 1.00 0.00 C ATOM 0 H LEU A 33 -4.723 -18.281 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.297 -17.525 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.665 -16.582 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.164 -15.817 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.802 -18.651 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.271 -17.889 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.774 -16.931 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.299 -16.257 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.248 -18.868 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.315 -17.276 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.465 -18.627 -3.822 1.00 0.00 H new ATOM 516 N HIS A 34 -6.774 -15.149 -5.723 1.00 0.00 N ATOM 517 CA HIS A 34 -6.416 -13.969 -6.500 1.00 0.00 C ATOM 518 C HIS A 34 -6.842 -12.693 -5.779 1.00 0.00 C ATOM 519 O HIS A 34 -7.544 -12.744 -4.770 1.00 0.00 O ATOM 520 CB HIS A 34 -7.064 -14.027 -7.884 1.00 0.00 C ATOM 521 CG HIS A 34 -8.544 -14.253 -7.842 1.00 0.00 C ATOM 522 ND1 HIS A 34 -9.465 -13.240 -8.002 1.00 0.00 N ATOM 523 CD2 HIS A 34 -9.262 -15.386 -7.660 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.685 -13.739 -7.918 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.590 -15.040 -7.711 1.00 0.00 N ATOM 0 H HIS A 34 -7.775 -15.262 -5.566 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.332 -13.956 -6.615 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.862 -13.094 -8.410 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.599 -14.826 -8.461 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.864 -16.378 -7.504 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.604 -13.178 -8.004 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.375 -15.683 -7.606 1.00 0.00 H new ATOM 534 N ASN A 35 -6.411 -11.551 -6.304 1.00 0.00 N ATOM 535 CA ASN A 35 -6.747 -10.262 -5.709 1.00 0.00 C ATOM 536 C ASN A 35 -8.151 -10.288 -5.112 1.00 0.00 C ATOM 537 O ASN A 35 -8.319 -10.225 -3.895 1.00 0.00 O ATOM 538 CB ASN A 35 -6.647 -9.152 -6.757 1.00 0.00 C ATOM 539 CG ASN A 35 -5.230 -8.960 -7.263 1.00 0.00 C ATOM 540 OD1 ASN A 35 -4.408 -8.316 -6.610 1.00 0.00 O ATOM 541 ND2 ASN A 35 -4.937 -9.519 -8.431 1.00 0.00 N ATOM 0 H ASN A 35 -5.829 -11.491 -7.139 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.035 -10.062 -4.909 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.301 -9.389 -7.597 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.006 -8.217 -6.327 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.999 -9.423 -8.821 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.649 -10.044 -8.938 1.00 0.00 H new ATOM 548 N ALA A 36 -9.154 -10.381 -5.978 1.00 0.00 N ATOM 549 CA ALA A 36 -10.543 -10.418 -5.537 1.00 0.00 C ATOM 550 C ALA A 36 -10.683 -11.187 -4.227 1.00 0.00 C ATOM 551 O ALA A 36 -11.457 -10.803 -3.352 1.00 0.00 O ATOM 552 CB ALA A 36 -11.422 -11.039 -6.612 1.00 0.00 C ATOM 0 H ALA A 36 -9.031 -10.432 -6.989 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.870 -9.393 -5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.456 -11.060 -6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.354 -10.447 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.086 -12.056 -6.814 1.00 0.00 H new ATOM 558 N GLU A 37 -9.928 -12.274 -4.102 1.00 0.00 N ATOM 559 CA GLU A 37 -9.970 -13.097 -2.899 1.00 0.00 C ATOM 560 C GLU A 37 -9.159 -12.460 -1.774 1.00 0.00 C ATOM 561 O GLU A 37 -9.601 -12.411 -0.625 1.00 0.00 O ATOM 562 CB GLU A 37 -9.436 -14.500 -3.195 1.00 0.00 C ATOM 563 CG GLU A 37 -10.354 -15.326 -4.081 1.00 0.00 C ATOM 564 CD GLU A 37 -11.353 -16.143 -3.286 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.688 -15.732 -2.155 1.00 0.00 O ATOM 566 OE2 GLU A 37 -11.799 -17.193 -3.793 1.00 0.00 O ATOM 0 H GLU A 37 -9.281 -12.605 -4.818 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.009 -13.171 -2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.461 -14.415 -3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.282 -15.027 -2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.891 -14.663 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.753 -15.994 -4.698 1.00 0.00 H new ATOM 573 N LEU A 38 -7.971 -11.973 -2.113 1.00 0.00 N ATOM 574 CA LEU A 38 -7.096 -11.338 -1.133 1.00 0.00 C ATOM 575 C LEU A 38 -7.789 -10.149 -0.475 1.00 0.00 C ATOM 576 O LEU A 38 -7.804 -10.027 0.750 1.00 0.00 O ATOM 577 CB LEU A 38 -5.797 -10.882 -1.799 1.00 0.00 C ATOM 578 CG LEU A 38 -5.163 -11.869 -2.780 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.824 -11.344 -3.275 1.00 0.00 C ATOM 580 CD2 LEU A 38 -4.995 -13.234 -2.128 1.00 0.00 C ATOM 0 H LEU A 38 -7.591 -12.005 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.862 -12.072 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.992 -9.949 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.070 -10.660 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.827 -11.977 -3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.388 -12.060 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.972 -10.389 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.152 -11.206 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.542 -13.924 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.352 -13.142 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.970 -13.614 -1.824 1.00 0.00 H new ATOM 592 N SER A 39 -8.362 -9.276 -1.297 1.00 0.00 N ATOM 593 CA SER A 39 -9.055 -8.095 -0.795 1.00 0.00 C ATOM 594 C SER A 39 -9.946 -8.451 0.392 1.00 0.00 C ATOM 595 O SER A 39 -9.836 -7.859 1.466 1.00 0.00 O ATOM 596 CB SER A 39 -9.895 -7.460 -1.905 1.00 0.00 C ATOM 597 OG SER A 39 -9.937 -6.050 -1.769 1.00 0.00 O ATOM 0 H SER A 39 -8.360 -9.364 -2.313 1.00 0.00 H new ATOM 0 HA SER A 39 -8.304 -7.378 -0.462 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.477 -7.723 -2.877 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.908 -7.862 -1.874 1.00 0.00 H new ATOM 0 HG SER A 39 -10.478 -5.668 -2.491 1.00 0.00 H new ATOM 603 N LYS A 40 -10.829 -9.423 0.190 1.00 0.00 N ATOM 604 CA LYS A 40 -11.738 -9.862 1.242 1.00 0.00 C ATOM 605 C LYS A 40 -11.058 -9.812 2.606 1.00 0.00 C ATOM 606 O LYS A 40 -11.706 -9.577 3.625 1.00 0.00 O ATOM 607 CB LYS A 40 -12.232 -11.282 0.958 1.00 0.00 C ATOM 608 CG LYS A 40 -13.177 -11.372 -0.228 1.00 0.00 C ATOM 609 CD LYS A 40 -14.629 -11.253 0.206 1.00 0.00 C ATOM 610 CE LYS A 40 -15.572 -11.823 -0.843 1.00 0.00 C ATOM 611 NZ LYS A 40 -15.852 -13.267 -0.611 1.00 0.00 N ATOM 0 H LYS A 40 -10.934 -9.922 -0.693 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.591 -9.183 1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.372 -11.927 0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.737 -11.666 1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.943 -10.582 -0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.027 -12.321 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.772 -11.779 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.872 -10.206 0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.508 -11.265 -0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.135 -11.692 -1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.498 -13.618 -1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.962 -13.803 -0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.292 -13.390 0.323 1.00 0.00 H new ATOM 625 N MET A 41 -9.748 -10.034 2.617 1.00 0.00 N ATOM 626 CA MET A 41 -8.979 -10.011 3.856 1.00 0.00 C ATOM 627 C MET A 41 -8.394 -8.625 4.108 1.00 0.00 C ATOM 628 O MET A 41 -8.325 -8.167 5.249 1.00 0.00 O ATOM 629 CB MET A 41 -7.857 -11.050 3.805 1.00 0.00 C ATOM 630 CG MET A 41 -8.317 -12.418 3.326 1.00 0.00 C ATOM 631 SD MET A 41 -6.941 -13.531 2.982 1.00 0.00 S ATOM 632 CE MET A 41 -7.186 -13.841 1.235 1.00 0.00 C ATOM 0 H MET A 41 -9.197 -10.232 1.782 1.00 0.00 H new ATOM 0 HA MET A 41 -9.653 -10.256 4.677 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.068 -10.689 3.145 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.420 -11.150 4.799 1.00 0.00 H new ATOM 0 HG2 MET A 41 -8.961 -12.866 4.082 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.918 -12.300 2.424 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.581 -14.847 1.096 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.893 -13.115 0.832 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.234 -13.749 0.712 1.00 0.00 H new ATOM 642 N LEU A 42 -7.974 -7.962 3.036 1.00 0.00 N ATOM 643 CA LEU A 42 -7.394 -6.627 3.141 1.00 0.00 C ATOM 644 C LEU A 42 -8.434 -5.617 3.616 1.00 0.00 C ATOM 645 O LEU A 42 -8.094 -4.591 4.202 1.00 0.00 O ATOM 646 CB LEU A 42 -6.822 -6.191 1.791 1.00 0.00 C ATOM 647 CG LEU A 42 -5.682 -7.047 1.237 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.389 -6.675 -0.208 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.434 -6.893 2.093 1.00 0.00 C ATOM 0 H LEU A 42 -8.024 -8.327 2.085 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.589 -6.664 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.632 -6.183 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.467 -5.165 1.884 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.991 -8.092 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.575 -7.294 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.280 -6.839 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.101 -5.625 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.634 -7.509 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.122 -5.849 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.651 -7.211 3.113 1.00 0.00 H new ATOM 661 N GLY A 43 -9.703 -5.918 3.359 1.00 0.00 N ATOM 662 CA GLY A 43 -10.774 -5.027 3.769 1.00 0.00 C ATOM 663 C GLY A 43 -11.125 -5.180 5.236 1.00 0.00 C ATOM 664 O GLY A 43 -11.143 -4.201 5.983 1.00 0.00 O ATOM 0 H GLY A 43 -10.009 -6.762 2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.479 -3.996 3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.659 -5.225 3.164 1.00 0.00 H new ATOM 668 N LYS A 44 -11.407 -6.410 5.650 1.00 0.00 N ATOM 669 CA LYS A 44 -11.761 -6.689 7.037 1.00 0.00 C ATOM 670 C LYS A 44 -10.696 -6.153 7.988 1.00 0.00 C ATOM 671 O LYS A 44 -11.003 -5.720 9.099 1.00 0.00 O ATOM 672 CB LYS A 44 -11.936 -8.195 7.247 1.00 0.00 C ATOM 673 CG LYS A 44 -10.646 -8.983 7.104 1.00 0.00 C ATOM 674 CD LYS A 44 -10.823 -10.427 7.542 1.00 0.00 C ATOM 675 CE LYS A 44 -9.519 -11.204 7.444 1.00 0.00 C ATOM 676 NZ LYS A 44 -9.747 -12.675 7.459 1.00 0.00 N ATOM 0 H LYS A 44 -11.397 -7.231 5.044 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.703 -6.186 7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.350 -8.369 8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.663 -8.571 6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.315 -8.955 6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.864 -8.514 7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.188 -10.455 8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.581 -10.906 6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.999 -10.927 6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.869 -10.929 8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.834 -13.169 7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.220 -12.944 8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.346 -12.942 6.652 1.00 0.00 H new ATOM 690 N SER A 45 -9.443 -6.182 7.544 1.00 0.00 N ATOM 691 CA SER A 45 -8.332 -5.701 8.357 1.00 0.00 C ATOM 692 C SER A 45 -8.218 -4.182 8.277 1.00 0.00 C ATOM 693 O SER A 45 -7.802 -3.528 9.234 1.00 0.00 O ATOM 694 CB SER A 45 -7.022 -6.347 7.902 1.00 0.00 C ATOM 695 OG SER A 45 -6.944 -7.697 8.327 1.00 0.00 O ATOM 0 H SER A 45 -9.172 -6.534 6.626 1.00 0.00 H new ATOM 0 HA SER A 45 -8.525 -5.979 9.393 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.948 -6.300 6.816 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.178 -5.787 8.304 1.00 0.00 H new ATOM 0 HG SER A 45 -6.098 -8.088 8.022 1.00 0.00 H new ATOM 701 N TRP A 46 -8.591 -3.627 7.129 1.00 0.00 N ATOM 702 CA TRP A 46 -8.531 -2.185 6.923 1.00 0.00 C ATOM 703 C TRP A 46 -9.549 -1.466 7.802 1.00 0.00 C ATOM 704 O TRP A 46 -9.184 -0.740 8.726 1.00 0.00 O ATOM 705 CB TRP A 46 -8.781 -1.848 5.452 1.00 0.00 C ATOM 706 CG TRP A 46 -8.742 -0.378 5.164 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.771 0.396 4.709 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.615 0.493 5.309 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.352 1.696 4.562 1.00 0.00 N ATOM 710 CE2 TRP A 46 -8.034 1.783 4.925 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.295 0.311 5.728 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -7.178 2.880 4.947 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.446 1.402 5.749 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.890 2.673 5.362 1.00 0.00 C ATOM 0 H TRP A 46 -8.938 -4.154 6.327 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.534 -1.845 7.202 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -8.033 -2.351 4.839 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.753 -2.243 5.156 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.768 0.039 4.496 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.929 2.471 4.235 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.944 -0.665 6.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.518 3.860 4.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.423 1.272 6.069 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.203 3.506 5.392 1.00 0.00 H new ATOM 725 N LYS A 47 -10.828 -1.673 7.508 1.00 0.00 N ATOM 726 CA LYS A 47 -11.900 -1.046 8.272 1.00 0.00 C ATOM 727 C LYS A 47 -11.639 -1.161 9.771 1.00 0.00 C ATOM 728 O LYS A 47 -11.973 -0.260 10.539 1.00 0.00 O ATOM 729 CB LYS A 47 -13.245 -1.691 7.927 1.00 0.00 C ATOM 730 CG LYS A 47 -13.975 -1.001 6.788 1.00 0.00 C ATOM 731 CD LYS A 47 -15.051 -1.894 6.193 1.00 0.00 C ATOM 732 CE LYS A 47 -14.450 -2.980 5.314 1.00 0.00 C ATOM 733 NZ LYS A 47 -14.254 -2.514 3.913 1.00 0.00 N ATOM 0 H LYS A 47 -11.148 -2.271 6.746 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.932 0.011 8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.080 -2.735 7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.880 -1.683 8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.427 -0.078 7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.261 -0.724 6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.630 -2.352 6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.743 -1.290 5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.493 -3.295 5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.102 -3.853 5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.843 -3.283 3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.171 -2.237 3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.611 -1.696 3.906 1.00 0.00 H new ATOM 747 N ALA A 48 -11.039 -2.275 10.178 1.00 0.00 N ATOM 748 CA ALA A 48 -10.730 -2.505 11.584 1.00 0.00 C ATOM 749 C ALA A 48 -9.739 -1.470 12.105 1.00 0.00 C ATOM 750 O ALA A 48 -9.815 -1.048 13.260 1.00 0.00 O ATOM 751 CB ALA A 48 -10.182 -3.911 11.780 1.00 0.00 C ATOM 0 H ALA A 48 -10.757 -3.032 9.555 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.653 -2.404 12.155 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.955 -4.069 12.834 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.925 -4.640 11.455 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.273 -4.032 11.191 1.00 0.00 H new ATOM 757 N LEU A 49 -8.808 -1.066 11.248 1.00 0.00 N ATOM 758 CA LEU A 49 -7.800 -0.080 11.622 1.00 0.00 C ATOM 759 C LEU A 49 -8.453 1.221 12.078 1.00 0.00 C ATOM 760 O LEU A 49 -9.552 1.564 11.640 1.00 0.00 O ATOM 761 CB LEU A 49 -6.863 0.192 10.444 1.00 0.00 C ATOM 762 CG LEU A 49 -5.889 -0.932 10.087 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.133 -0.597 8.811 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.921 -1.183 11.233 1.00 0.00 C ATOM 0 H LEU A 49 -8.730 -1.406 10.289 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.222 -0.485 12.453 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.470 0.412 9.566 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.285 1.090 10.665 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.462 -1.843 9.917 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.445 -1.408 8.572 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.841 -0.469 7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.571 0.326 8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.236 -1.986 10.961 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.354 -0.275 11.436 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.479 -1.469 12.125 1.00 0.00 H new ATOM 776 N THR A 50 -7.769 1.943 12.960 1.00 0.00 N ATOM 777 CA THR A 50 -8.281 3.206 13.475 1.00 0.00 C ATOM 778 C THR A 50 -7.674 4.390 12.731 1.00 0.00 C ATOM 779 O THR A 50 -6.701 4.239 11.991 1.00 0.00 O ATOM 780 CB THR A 50 -7.993 3.358 14.980 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.579 3.371 15.209 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.629 2.224 15.770 1.00 0.00 C ATOM 0 H THR A 50 -6.858 1.674 13.333 1.00 0.00 H new ATOM 0 HA THR A 50 -9.360 3.196 13.319 1.00 0.00 H new ATOM 0 HB THR A 50 -8.424 4.301 15.317 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.404 3.470 16.168 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.412 2.353 16.830 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.708 2.234 15.617 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.223 1.271 15.430 1.00 0.00 H new ATOM 790 N LEU A 51 -8.252 5.569 12.932 1.00 0.00 N ATOM 791 CA LEU A 51 -7.766 6.781 12.280 1.00 0.00 C ATOM 792 C LEU A 51 -6.256 6.919 12.444 1.00 0.00 C ATOM 793 O LEU A 51 -5.526 7.051 11.462 1.00 0.00 O ATOM 794 CB LEU A 51 -8.468 8.011 12.859 1.00 0.00 C ATOM 795 CG LEU A 51 -8.122 9.349 12.206 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.898 9.964 12.865 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.893 9.171 10.712 1.00 0.00 C ATOM 0 H LEU A 51 -9.058 5.712 13.541 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.992 6.708 11.216 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.545 7.860 12.783 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.229 8.075 13.921 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.964 10.027 12.346 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.667 10.916 12.387 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.099 10.129 13.924 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.049 9.289 12.758 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.648 10.134 10.264 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.069 8.476 10.550 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.798 8.776 10.250 1.00 0.00 H new ATOM 809 N ALA A 52 -5.795 6.886 13.690 1.00 0.00 N ATOM 810 CA ALA A 52 -4.372 7.003 13.981 1.00 0.00 C ATOM 811 C ALA A 52 -3.560 6.003 13.165 1.00 0.00 C ATOM 812 O ALA A 52 -2.419 6.274 12.792 1.00 0.00 O ATOM 813 CB ALA A 52 -4.119 6.801 15.468 1.00 0.00 C ATOM 0 H ALA A 52 -6.387 6.779 14.514 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.051 8.006 13.701 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.052 6.891 15.671 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.661 7.557 16.035 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.462 5.810 15.764 1.00 0.00 H new ATOM 819 N GLU A 53 -4.157 4.847 12.891 1.00 0.00 N ATOM 820 CA GLU A 53 -3.487 3.806 12.119 1.00 0.00 C ATOM 821 C GLU A 53 -3.463 4.160 10.635 1.00 0.00 C ATOM 822 O GLU A 53 -2.530 3.803 9.915 1.00 0.00 O ATOM 823 CB GLU A 53 -4.185 2.460 12.323 1.00 0.00 C ATOM 824 CG GLU A 53 -3.881 1.814 13.664 1.00 0.00 C ATOM 825 CD GLU A 53 -2.518 1.150 13.697 1.00 0.00 C ATOM 826 OE1 GLU A 53 -2.215 0.374 12.766 1.00 0.00 O ATOM 827 OE2 GLU A 53 -1.756 1.405 14.652 1.00 0.00 O ATOM 0 H GLU A 53 -5.102 4.608 13.192 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.459 3.731 12.473 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.262 2.601 12.233 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.885 1.780 11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.931 2.571 14.447 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.648 1.072 13.888 1.00 0.00 H new ATOM 834 N LYS A 54 -4.496 4.863 10.184 1.00 0.00 N ATOM 835 CA LYS A 54 -4.595 5.267 8.786 1.00 0.00 C ATOM 836 C LYS A 54 -3.824 6.559 8.537 1.00 0.00 C ATOM 837 O LYS A 54 -3.616 6.957 7.391 1.00 0.00 O ATOM 838 CB LYS A 54 -6.061 5.451 8.390 1.00 0.00 C ATOM 839 CG LYS A 54 -6.925 4.233 8.670 1.00 0.00 C ATOM 840 CD LYS A 54 -8.369 4.467 8.259 1.00 0.00 C ATOM 841 CE LYS A 54 -9.071 3.160 7.923 1.00 0.00 C ATOM 842 NZ LYS A 54 -9.640 2.508 9.134 1.00 0.00 N ATOM 0 H LYS A 54 -5.277 5.165 10.766 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.156 4.479 8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.469 6.307 8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.115 5.687 7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.528 3.372 8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.883 3.992 9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.901 4.970 9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.400 5.130 7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.868 3.351 7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.365 2.482 7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.691 1.480 8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.032 2.708 9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.595 2.880 9.312 1.00 0.00 H new ATOM 856 N ARG A 55 -3.402 7.208 9.617 1.00 0.00 N ATOM 857 CA ARG A 55 -2.653 8.456 9.514 1.00 0.00 C ATOM 858 C ARG A 55 -1.393 8.266 8.675 1.00 0.00 C ATOM 859 O ARG A 55 -1.119 9.022 7.743 1.00 0.00 O ATOM 860 CB ARG A 55 -2.280 8.967 10.907 1.00 0.00 C ATOM 861 CG ARG A 55 -2.276 10.482 11.019 1.00 0.00 C ATOM 862 CD ARG A 55 -3.685 11.034 11.165 1.00 0.00 C ATOM 863 NE ARG A 55 -3.805 12.381 10.614 1.00 0.00 N ATOM 864 CZ ARG A 55 -4.918 13.104 10.678 1.00 0.00 C ATOM 865 NH1 ARG A 55 -6.000 12.612 11.266 1.00 0.00 N ATOM 866 NH2 ARG A 55 -4.949 14.323 10.154 1.00 0.00 N ATOM 0 H ARG A 55 -3.565 6.891 10.573 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.288 9.193 9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.982 8.559 11.634 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.292 8.589 11.171 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.676 10.783 11.878 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.806 10.912 10.135 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.388 10.372 10.660 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.962 11.048 12.219 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.990 12.789 10.155 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.979 11.676 11.671 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.853 13.170 11.313 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.118 14.705 9.702 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.804 14.878 10.203 1.00 0.00 H new ATOM 880 N PRO A 56 -0.607 7.233 9.013 1.00 0.00 N ATOM 881 CA PRO A 56 0.637 6.920 8.303 1.00 0.00 C ATOM 882 C PRO A 56 0.384 6.394 6.895 1.00 0.00 C ATOM 883 O PRO A 56 1.230 6.529 6.010 1.00 0.00 O ATOM 884 CB PRO A 56 1.278 5.835 9.172 1.00 0.00 C ATOM 885 CG PRO A 56 0.136 5.198 9.886 1.00 0.00 C ATOM 886 CD PRO A 56 -0.872 6.291 10.113 1.00 0.00 C ATOM 0 HA PRO A 56 1.263 7.802 8.168 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.819 5.110 8.565 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.995 6.262 9.873 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.292 4.389 9.294 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.460 4.764 10.832 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.893 5.910 10.079 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.741 6.763 11.087 1.00 0.00 H new ATOM 894 N PHE A 57 -0.784 5.794 6.693 1.00 0.00 N ATOM 895 CA PHE A 57 -1.148 5.247 5.391 1.00 0.00 C ATOM 896 C PHE A 57 -2.014 6.232 4.610 1.00 0.00 C ATOM 897 O PHE A 57 -2.260 6.050 3.418 1.00 0.00 O ATOM 898 CB PHE A 57 -1.891 3.921 5.561 1.00 0.00 C ATOM 899 CG PHE A 57 -1.212 2.970 6.505 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.049 2.473 6.220 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.835 2.574 7.677 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.678 1.598 7.086 1.00 0.00 C ATOM 903 CE2 PHE A 57 -1.212 1.700 8.548 1.00 0.00 C ATOM 904 CZ PHE A 57 0.046 1.210 8.251 1.00 0.00 C ATOM 0 H PHE A 57 -1.495 5.674 7.414 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.231 5.072 4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.899 4.122 5.924 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.992 3.443 4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.547 2.773 5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.819 2.952 7.913 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.662 1.219 6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.708 1.400 9.460 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.534 0.525 8.929 1.00 0.00 H new ATOM 914 N VAL A 58 -2.476 7.275 5.292 1.00 0.00 N ATOM 915 CA VAL A 58 -3.314 8.289 4.664 1.00 0.00 C ATOM 916 C VAL A 58 -2.478 9.463 4.167 1.00 0.00 C ATOM 917 O VAL A 58 -2.814 10.098 3.168 1.00 0.00 O ATOM 918 CB VAL A 58 -4.386 8.813 5.638 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.942 10.144 5.155 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.500 7.790 5.804 1.00 0.00 C ATOM 0 H VAL A 58 -2.284 7.440 6.280 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.805 7.812 3.816 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.921 8.972 6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.698 10.498 5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.135 10.874 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.392 10.015 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.249 8.176 6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.964 7.597 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.086 6.862 6.199 1.00 0.00 H new ATOM 930 N GLU A 59 -1.386 9.745 4.872 1.00 0.00 N ATOM 931 CA GLU A 59 -0.501 10.844 4.501 1.00 0.00 C ATOM 932 C GLU A 59 0.430 10.433 3.365 1.00 0.00 C ATOM 933 O GLU A 59 1.071 11.276 2.739 1.00 0.00 O ATOM 934 CB GLU A 59 0.320 11.296 5.710 1.00 0.00 C ATOM 935 CG GLU A 59 -0.527 11.686 6.910 1.00 0.00 C ATOM 936 CD GLU A 59 -0.898 13.156 6.909 1.00 0.00 C ATOM 937 OE1 GLU A 59 -0.919 13.761 5.817 1.00 0.00 O ATOM 938 OE2 GLU A 59 -1.167 13.702 8.000 1.00 0.00 O ATOM 0 H GLU A 59 -1.093 9.229 5.702 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.118 11.675 4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.997 10.492 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.939 12.146 5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.437 11.086 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.017 11.453 7.825 1.00 0.00 H new ATOM 945 N GLU A 60 0.499 9.131 3.105 1.00 0.00 N ATOM 946 CA GLU A 60 1.353 8.608 2.045 1.00 0.00 C ATOM 947 C GLU A 60 0.591 8.522 0.725 1.00 0.00 C ATOM 948 O GLU A 60 0.986 9.124 -0.272 1.00 0.00 O ATOM 949 CB GLU A 60 1.890 7.227 2.427 1.00 0.00 C ATOM 950 CG GLU A 60 2.374 6.412 1.239 1.00 0.00 C ATOM 951 CD GLU A 60 3.479 5.442 1.609 1.00 0.00 C ATOM 952 OE1 GLU A 60 3.419 4.866 2.715 1.00 0.00 O ATOM 953 OE2 GLU A 60 4.405 5.259 0.791 1.00 0.00 O ATOM 0 H GLU A 60 -0.026 8.420 3.614 1.00 0.00 H new ATOM 0 HA GLU A 60 2.191 9.293 1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.712 7.349 3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.107 6.672 2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.535 5.858 0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.733 7.087 0.462 1.00 0.00 H new ATOM 960 N ALA A 61 -0.503 7.768 0.729 1.00 0.00 N ATOM 961 CA ALA A 61 -1.322 7.603 -0.466 1.00 0.00 C ATOM 962 C ALA A 61 -1.689 8.954 -1.070 1.00 0.00 C ATOM 963 O ALA A 61 -1.822 9.085 -2.286 1.00 0.00 O ATOM 964 CB ALA A 61 -2.578 6.809 -0.140 1.00 0.00 C ATOM 0 H ALA A 61 -0.843 7.262 1.546 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.739 7.051 -1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.180 6.694 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.299 5.826 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.157 7.338 0.617 1.00 0.00 H new ATOM 970 N GLU A 62 -1.853 9.956 -0.212 1.00 0.00 N ATOM 971 CA GLU A 62 -2.208 11.297 -0.662 1.00 0.00 C ATOM 972 C GLU A 62 -1.100 11.890 -1.528 1.00 0.00 C ATOM 973 O GLU A 62 -1.367 12.623 -2.481 1.00 0.00 O ATOM 974 CB GLU A 62 -2.476 12.208 0.538 1.00 0.00 C ATOM 975 CG GLU A 62 -2.567 13.681 0.175 1.00 0.00 C ATOM 976 CD GLU A 62 -3.479 14.455 1.107 1.00 0.00 C ATOM 977 OE1 GLU A 62 -3.012 14.859 2.193 1.00 0.00 O ATOM 978 OE2 GLU A 62 -4.658 14.658 0.751 1.00 0.00 O ATOM 0 H GLU A 62 -1.746 9.865 0.798 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.115 11.224 -1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.407 11.902 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.682 12.072 1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.570 14.120 0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.932 13.778 -0.848 1.00 0.00 H new ATOM 985 N ARG A 63 0.144 11.569 -1.189 1.00 0.00 N ATOM 986 CA ARG A 63 1.293 12.071 -1.933 1.00 0.00 C ATOM 987 C ARG A 63 1.378 11.416 -3.309 1.00 0.00 C ATOM 988 O ARG A 63 1.710 12.069 -4.299 1.00 0.00 O ATOM 989 CB ARG A 63 2.584 11.814 -1.154 1.00 0.00 C ATOM 990 CG ARG A 63 2.638 12.527 0.188 1.00 0.00 C ATOM 991 CD ARG A 63 3.763 11.991 1.059 1.00 0.00 C ATOM 992 NE ARG A 63 5.073 12.458 0.611 1.00 0.00 N ATOM 993 CZ ARG A 63 6.169 12.399 1.359 1.00 0.00 C ATOM 994 NH1 ARG A 63 6.114 11.895 2.584 1.00 0.00 N ATOM 995 NH2 ARG A 63 7.324 12.844 0.881 1.00 0.00 N ATOM 0 H ARG A 63 0.382 10.963 -0.404 1.00 0.00 H new ATOM 0 HA ARG A 63 1.166 13.145 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.693 10.742 -0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.433 12.132 -1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.778 13.596 0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.686 12.404 0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.601 12.301 2.091 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.743 10.901 1.047 1.00 0.00 H new ATOM 0 HE ARG A 63 5.150 12.851 -0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.228 11.551 2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.958 11.851 3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.371 13.232 -0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.165 12.798 1.456 1.00 0.00 H new