USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 556 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 65 MET CE :methyl -151:sc= 0 (180deg=0) USER MOD Set 1.2: A 97 LYS NZ :NH3+ -120:sc= -0.0597 (180deg=0) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 164:sc= -1.85 (180deg=-2.68!) USER MOD Set 2.2: A 93 TYR OH : rot 70:sc= -2.55 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -156:sc= -0.104 (180deg=-1.15) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -2.16! X(o=-2.2!,f=-1.9) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0622 USER MOD Single : A 59 SER OG : rot 180:sc= -2.19! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= -0.602 (180deg=-2.15!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0947 K(o=-0.095,f=-1.9!) USER MOD Single : A 70 LYS NZ :NH3+ -143:sc= -0.307 (180deg=-1.14!) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -0.628 (180deg=-1.09) USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= -0.0413 (180deg=-0.258) USER MOD Single : A 80 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.59) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 133 N LYS A 9 2.891 4.805 -13.242 1.00 0.00 N ATOM 134 CA LYS A 9 3.084 4.971 -11.806 1.00 0.00 C ATOM 135 C LYS A 9 2.569 6.327 -11.339 1.00 0.00 C ATOM 136 O LYS A 9 2.831 7.353 -11.969 1.00 0.00 O ATOM 137 CB LYS A 9 4.564 4.828 -11.445 1.00 0.00 C ATOM 138 CG LYS A 9 4.800 4.112 -10.125 1.00 0.00 C ATOM 139 CD LYS A 9 5.119 2.642 -10.339 1.00 0.00 C ATOM 140 CE LYS A 9 4.378 1.758 -9.347 1.00 0.00 C ATOM 141 NZ LYS A 9 4.981 0.398 -9.265 1.00 0.00 N ATOM 0 HA LYS A 9 2.516 4.190 -11.300 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.073 4.284 -12.241 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.016 5.819 -11.398 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.622 4.590 -9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.915 4.206 -9.496 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.849 2.355 -11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.193 2.483 -10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.394 2.224 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.332 1.675 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.640 -0.082 -8.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.708 -0.154 -10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.017 0.479 -9.227 1.00 0.00 H new ATOM 155 N GLU A 10 1.839 6.328 -10.229 1.00 0.00 N ATOM 156 CA GLU A 10 1.292 7.560 -9.675 1.00 0.00 C ATOM 157 C GLU A 10 1.907 7.857 -8.310 1.00 0.00 C ATOM 158 O GLU A 10 1.981 6.978 -7.452 1.00 0.00 O ATOM 159 CB GLU A 10 -0.229 7.462 -9.553 1.00 0.00 C ATOM 160 CG GLU A 10 -0.947 7.521 -10.892 1.00 0.00 C ATOM 161 CD GLU A 10 -0.563 6.378 -11.810 1.00 0.00 C ATOM 162 OE1 GLU A 10 -1.030 5.245 -11.574 1.00 0.00 O ATOM 163 OE2 GLU A 10 0.206 6.617 -12.765 1.00 0.00 O ATOM 0 H GLU A 10 1.613 5.489 -9.695 1.00 0.00 H new ATOM 0 HA GLU A 10 1.539 8.377 -10.353 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.487 6.529 -9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.588 8.274 -8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.024 7.501 -10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.718 8.468 -11.381 1.00 0.00 H new ATOM 170 N PRO A 11 2.363 9.103 -8.091 1.00 0.00 N ATOM 171 CA PRO A 11 2.974 9.505 -6.831 1.00 0.00 C ATOM 172 C PRO A 11 1.946 9.983 -5.814 1.00 0.00 C ATOM 173 O PRO A 11 1.156 10.885 -6.089 1.00 0.00 O ATOM 174 CB PRO A 11 3.876 10.655 -7.253 1.00 0.00 C ATOM 175 CG PRO A 11 3.162 11.295 -8.399 1.00 0.00 C ATOM 176 CD PRO A 11 2.323 10.220 -9.053 1.00 0.00 C ATOM 0 HA PRO A 11 3.494 8.682 -6.339 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.026 11.361 -6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.862 10.297 -7.550 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.535 12.116 -8.052 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.873 11.715 -9.110 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.302 10.561 -9.227 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.731 9.928 -10.021 1.00 0.00 H new ATOM 184 N ALA A 12 1.969 9.376 -4.637 1.00 0.00 N ATOM 185 CA ALA A 12 1.048 9.738 -3.571 1.00 0.00 C ATOM 186 C ALA A 12 1.694 9.516 -2.213 1.00 0.00 C ATOM 187 O ALA A 12 2.212 8.435 -1.932 1.00 0.00 O ATOM 188 CB ALA A 12 -0.239 8.937 -3.690 1.00 0.00 C ATOM 0 H ALA A 12 2.618 8.627 -4.396 1.00 0.00 H new ATOM 0 HA ALA A 12 0.805 10.796 -3.665 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.919 9.219 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.709 9.144 -4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.013 7.873 -3.618 1.00 0.00 H new ATOM 194 N THR A 13 1.669 10.542 -1.371 1.00 0.00 N ATOM 195 CA THR A 13 2.264 10.442 -0.047 1.00 0.00 C ATOM 196 C THR A 13 1.267 9.865 0.950 1.00 0.00 C ATOM 197 O THR A 13 0.302 10.524 1.336 1.00 0.00 O ATOM 198 CB THR A 13 2.750 11.814 0.428 1.00 0.00 C ATOM 199 OG1 THR A 13 3.143 11.763 1.787 1.00 0.00 O ATOM 200 CG2 THR A 13 1.708 12.904 0.292 1.00 0.00 C ATOM 0 H THR A 13 1.246 11.446 -1.581 1.00 0.00 H new ATOM 0 HA THR A 13 3.120 9.770 -0.110 1.00 0.00 H new ATOM 0 HB THR A 13 3.592 12.059 -0.219 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.452 12.648 2.072 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.121 13.848 0.647 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.421 13.004 -0.755 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.831 12.645 0.886 1.00 0.00 H new ATOM 208 N LEU A 14 1.513 8.628 1.361 1.00 0.00 N ATOM 209 CA LEU A 14 0.647 7.953 2.314 1.00 0.00 C ATOM 210 C LEU A 14 0.914 8.458 3.724 1.00 0.00 C ATOM 211 O LEU A 14 2.035 8.367 4.223 1.00 0.00 O ATOM 212 CB LEU A 14 0.866 6.439 2.246 1.00 0.00 C ATOM 213 CG LEU A 14 0.176 5.628 3.348 1.00 0.00 C ATOM 214 CD1 LEU A 14 -0.449 4.367 2.773 1.00 0.00 C ATOM 215 CD2 LEU A 14 1.165 5.277 4.450 1.00 0.00 C ATOM 0 H LEU A 14 2.308 8.072 1.047 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.389 8.171 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.514 6.080 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.937 6.241 2.288 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.618 6.239 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.934 3.805 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.188 4.638 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.326 3.752 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.658 4.701 5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.980 4.685 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.567 6.193 4.884 1.00 0.00 H new ATOM 227 N ILE A 15 -0.118 8.992 4.362 1.00 0.00 N ATOM 228 CA ILE A 15 0.026 9.507 5.716 1.00 0.00 C ATOM 229 C ILE A 15 0.119 8.363 6.720 1.00 0.00 C ATOM 230 O ILE A 15 1.015 8.343 7.563 1.00 0.00 O ATOM 231 CB ILE A 15 -1.134 10.448 6.105 1.00 0.00 C ATOM 232 CG1 ILE A 15 -2.482 9.741 5.957 1.00 0.00 C ATOM 233 CG2 ILE A 15 -1.098 11.708 5.256 1.00 0.00 C ATOM 234 CD1 ILE A 15 -2.928 9.024 7.211 1.00 0.00 C ATOM 0 H ILE A 15 -1.055 9.080 3.969 1.00 0.00 H new ATOM 0 HA ILE A 15 0.950 10.085 5.739 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.012 10.728 7.151 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.239 10.474 5.678 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.419 9.022 5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.922 12.362 5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.152 12.226 5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.195 11.441 4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.891 8.545 7.033 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.191 8.267 7.479 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.024 9.742 8.026 1.00 0.00 H new ATOM 246 N LYS A 16 -0.798 7.403 6.617 1.00 0.00 N ATOM 247 CA LYS A 16 -0.798 6.248 7.514 1.00 0.00 C ATOM 248 C LYS A 16 -1.950 5.301 7.196 1.00 0.00 C ATOM 249 O LYS A 16 -2.858 5.641 6.437 1.00 0.00 O ATOM 250 CB LYS A 16 -0.869 6.694 8.983 1.00 0.00 C ATOM 251 CG LYS A 16 -2.253 7.138 9.441 1.00 0.00 C ATOM 252 CD LYS A 16 -2.717 6.357 10.661 1.00 0.00 C ATOM 253 CE LYS A 16 -4.204 6.549 10.914 1.00 0.00 C ATOM 254 NZ LYS A 16 -4.476 7.029 12.297 1.00 0.00 N ATOM 0 H LYS A 16 -1.547 7.401 5.925 1.00 0.00 H new ATOM 0 HA LYS A 16 0.138 5.712 7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.537 5.871 9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.169 7.515 9.135 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.235 8.202 9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.967 7.002 8.628 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.505 5.297 10.518 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.153 6.679 11.537 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.605 7.265 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.725 5.606 10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.501 7.147 12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.117 6.334 12.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.000 7.942 12.448 1.00 0.00 H new ATOM 268 N ALA A 17 -1.906 4.110 7.786 1.00 0.00 N ATOM 269 CA ALA A 17 -2.949 3.112 7.568 1.00 0.00 C ATOM 270 C ALA A 17 -4.102 3.300 8.549 1.00 0.00 C ATOM 271 O ALA A 17 -3.900 3.739 9.682 1.00 0.00 O ATOM 272 CB ALA A 17 -2.376 1.711 7.691 1.00 0.00 C ATOM 0 H ALA A 17 -1.162 3.813 8.417 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.337 3.246 6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.166 0.979 7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.591 1.572 6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.958 1.575 8.689 1.00 0.00 H new ATOM 278 N ILE A 18 -5.310 2.969 8.107 1.00 0.00 N ATOM 279 CA ILE A 18 -6.494 3.105 8.946 1.00 0.00 C ATOM 280 C ILE A 18 -6.777 1.820 9.720 1.00 0.00 C ATOM 281 O ILE A 18 -6.624 1.774 10.940 1.00 0.00 O ATOM 282 CB ILE A 18 -7.736 3.474 8.111 1.00 0.00 C ATOM 283 CG1 ILE A 18 -7.429 4.664 7.200 1.00 0.00 C ATOM 284 CG2 ILE A 18 -8.914 3.787 9.021 1.00 0.00 C ATOM 285 CD1 ILE A 18 -6.974 5.898 7.950 1.00 0.00 C ATOM 0 H ILE A 18 -5.495 2.605 7.172 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.287 3.909 9.652 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.002 2.621 7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.656 4.376 6.488 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.320 4.908 6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.783 4.046 8.416 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.144 2.914 9.632 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.660 4.626 9.669 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.774 6.702 7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.755 6.211 8.643 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.065 5.671 8.507 1.00 0.00 H new ATOM 297 N ASP A 19 -7.195 0.778 9.005 1.00 0.00 N ATOM 298 CA ASP A 19 -7.505 -0.503 9.632 1.00 0.00 C ATOM 299 C ASP A 19 -6.593 -1.610 9.109 1.00 0.00 C ATOM 300 O ASP A 19 -7.020 -2.754 8.954 1.00 0.00 O ATOM 301 CB ASP A 19 -8.968 -0.873 9.384 1.00 0.00 C ATOM 302 CG ASP A 19 -9.395 -2.099 10.168 1.00 0.00 C ATOM 303 OD1 ASP A 19 -9.649 -1.967 11.383 1.00 0.00 O ATOM 304 OD2 ASP A 19 -9.474 -3.191 9.567 1.00 0.00 O ATOM 0 H ASP A 19 -7.326 0.796 7.994 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.336 -0.400 10.704 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.604 -0.031 9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.119 -1.055 8.320 1.00 0.00 H new ATOM 309 N GLY A 20 -5.338 -1.266 8.842 1.00 0.00 N ATOM 310 CA GLY A 20 -4.392 -2.248 8.342 1.00 0.00 C ATOM 311 C GLY A 20 -4.390 -2.339 6.829 1.00 0.00 C ATOM 312 O GLY A 20 -3.332 -2.315 6.201 1.00 0.00 O ATOM 0 H GLY A 20 -4.959 -0.327 8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.391 -1.991 8.688 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.633 -3.225 8.761 1.00 0.00 H new ATOM 316 N ASP A 21 -5.577 -2.444 6.241 1.00 0.00 N ATOM 317 CA ASP A 21 -5.707 -2.539 4.791 1.00 0.00 C ATOM 318 C ASP A 21 -6.003 -1.171 4.188 1.00 0.00 C ATOM 319 O ASP A 21 -5.274 -0.693 3.320 1.00 0.00 O ATOM 320 CB ASP A 21 -6.816 -3.524 4.419 1.00 0.00 C ATOM 321 CG ASP A 21 -6.378 -4.969 4.560 1.00 0.00 C ATOM 322 OD1 ASP A 21 -5.198 -5.262 4.271 1.00 0.00 O ATOM 323 OD2 ASP A 21 -7.214 -5.807 4.959 1.00 0.00 O ATOM 0 H ASP A 21 -6.463 -2.465 6.746 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.762 -2.902 4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.684 -3.347 5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.131 -3.341 3.392 1.00 0.00 H new ATOM 328 N THR A 22 -7.074 -0.541 4.660 1.00 0.00 N ATOM 329 CA THR A 22 -7.459 0.776 4.172 1.00 0.00 C ATOM 330 C THR A 22 -6.472 1.833 4.653 1.00 0.00 C ATOM 331 O THR A 22 -6.460 2.194 5.830 1.00 0.00 O ATOM 332 CB THR A 22 -8.872 1.127 4.641 1.00 0.00 C ATOM 333 OG1 THR A 22 -9.758 0.045 4.415 1.00 0.00 O ATOM 334 CG2 THR A 22 -9.447 2.344 3.950 1.00 0.00 C ATOM 0 H THR A 22 -7.689 -0.922 5.379 1.00 0.00 H new ATOM 0 HA THR A 22 -7.446 0.755 3.082 1.00 0.00 H new ATOM 0 HB THR A 22 -8.778 1.345 5.705 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.656 0.288 4.723 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.451 2.537 4.329 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.812 3.208 4.147 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.493 2.165 2.876 1.00 0.00 H new ATOM 342 N VAL A 23 -5.642 2.321 3.739 1.00 0.00 N ATOM 343 CA VAL A 23 -4.646 3.332 4.075 1.00 0.00 C ATOM 344 C VAL A 23 -4.928 4.646 3.359 1.00 0.00 C ATOM 345 O VAL A 23 -5.559 4.667 2.302 1.00 0.00 O ATOM 346 CB VAL A 23 -3.226 2.859 3.711 1.00 0.00 C ATOM 347 CG1 VAL A 23 -2.834 1.650 4.545 1.00 0.00 C ATOM 348 CG2 VAL A 23 -3.131 2.545 2.225 1.00 0.00 C ATOM 0 H VAL A 23 -5.638 2.034 2.760 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.708 3.490 5.152 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.527 3.666 3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.828 1.331 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.858 1.914 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.535 0.837 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.121 2.213 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.841 1.757 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.363 3.440 1.648 1.00 0.00 H new ATOM 358 N LYS A 24 -4.453 5.743 3.939 1.00 0.00 N ATOM 359 CA LYS A 24 -4.651 7.061 3.352 1.00 0.00 C ATOM 360 C LYS A 24 -3.471 7.439 2.460 1.00 0.00 C ATOM 361 O LYS A 24 -2.317 7.168 2.787 1.00 0.00 O ATOM 362 CB LYS A 24 -4.847 8.111 4.450 1.00 0.00 C ATOM 363 CG LYS A 24 -4.821 9.543 3.937 1.00 0.00 C ATOM 364 CD LYS A 24 -5.572 10.482 4.869 1.00 0.00 C ATOM 365 CE LYS A 24 -7.072 10.238 4.820 1.00 0.00 C ATOM 366 NZ LYS A 24 -7.654 10.078 6.181 1.00 0.00 N ATOM 0 H LYS A 24 -3.929 5.745 4.814 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.549 7.029 2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.800 7.930 4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.066 7.989 5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.788 9.876 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.266 9.583 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.214 10.346 5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.362 11.515 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.559 11.071 4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.275 9.344 4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.678 9.914 6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.208 9.267 6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.483 10.941 6.735 1.00 0.00 H new ATOM 380 N LEU A 25 -3.777 8.061 1.331 1.00 0.00 N ATOM 381 CA LEU A 25 -2.756 8.479 0.375 1.00 0.00 C ATOM 382 C LEU A 25 -3.096 9.835 -0.231 1.00 0.00 C ATOM 383 O LEU A 25 -4.107 9.965 -0.915 1.00 0.00 O ATOM 384 CB LEU A 25 -2.647 7.457 -0.758 1.00 0.00 C ATOM 385 CG LEU A 25 -1.612 6.345 -0.568 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.240 4.984 -0.831 1.00 0.00 C ATOM 387 CD2 LEU A 25 -0.423 6.562 -1.491 1.00 0.00 C ATOM 0 H LEU A 25 -4.731 8.290 1.051 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.810 8.551 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.624 6.995 -0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.412 7.990 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.262 6.374 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.491 4.205 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.064 4.823 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.615 4.948 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.303 5.763 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.761 6.558 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.043 7.521 -1.265 1.00 0.00 H new ATOM 399 N MET A 26 -2.238 10.829 -0.016 1.00 0.00 N ATOM 400 CA MET A 26 -2.466 12.152 -0.590 1.00 0.00 C ATOM 401 C MET A 26 -2.208 12.087 -2.092 1.00 0.00 C ATOM 402 O MET A 26 -1.062 12.103 -2.541 1.00 0.00 O ATOM 403 CB MET A 26 -1.544 13.186 0.057 1.00 0.00 C ATOM 404 CG MET A 26 -2.151 14.579 0.129 1.00 0.00 C ATOM 405 SD MET A 26 -0.961 15.878 -0.260 1.00 0.00 S ATOM 406 CE MET A 26 -1.921 17.340 0.124 1.00 0.00 C ATOM 0 H MET A 26 -1.389 10.746 0.544 1.00 0.00 H new ATOM 0 HA MET A 26 -3.496 12.454 -0.403 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.291 12.856 1.065 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.612 13.233 -0.506 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.990 14.641 -0.564 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.550 14.746 1.129 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.530 18.189 -0.436 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.963 17.173 -0.150 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.855 17.548 1.192 1.00 0.00 H new ATOM 416 N TYR A 27 -3.286 11.978 -2.858 1.00 0.00 N ATOM 417 CA TYR A 27 -3.203 11.868 -4.307 1.00 0.00 C ATOM 418 C TYR A 27 -3.265 13.234 -4.982 1.00 0.00 C ATOM 419 O TYR A 27 -4.335 13.821 -5.120 1.00 0.00 O ATOM 420 CB TYR A 27 -4.335 10.965 -4.797 1.00 0.00 C ATOM 421 CG TYR A 27 -4.250 10.593 -6.256 1.00 0.00 C ATOM 422 CD1 TYR A 27 -4.316 11.563 -7.242 1.00 0.00 C ATOM 423 CD2 TYR A 27 -4.125 9.266 -6.646 1.00 0.00 C ATOM 424 CE1 TYR A 27 -4.260 11.231 -8.575 1.00 0.00 C ATOM 425 CE2 TYR A 27 -4.063 8.920 -7.981 1.00 0.00 C ATOM 426 CZ TYR A 27 -4.131 9.906 -8.944 1.00 0.00 C ATOM 427 OH TYR A 27 -4.074 9.568 -10.277 1.00 0.00 O ATOM 0 H TYR A 27 -4.238 11.963 -2.493 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.241 11.431 -4.574 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.338 10.052 -4.202 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.286 11.466 -4.617 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.413 12.601 -6.958 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.076 8.493 -5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.317 12.002 -9.329 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.962 7.884 -8.270 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.982 8.596 -10.364 1.00 0.00 H new ATOM 437 N LYS A 28 -2.102 13.729 -5.409 1.00 0.00 N ATOM 438 CA LYS A 28 -2.006 15.024 -6.083 1.00 0.00 C ATOM 439 C LYS A 28 -2.864 16.083 -5.394 1.00 0.00 C ATOM 440 O LYS A 28 -3.651 16.777 -6.039 1.00 0.00 O ATOM 441 CB LYS A 28 -2.424 14.888 -7.550 1.00 0.00 C ATOM 442 CG LYS A 28 -1.653 15.802 -8.489 1.00 0.00 C ATOM 443 CD LYS A 28 -1.676 15.281 -9.917 1.00 0.00 C ATOM 444 CE LYS A 28 -1.294 16.366 -10.912 1.00 0.00 C ATOM 445 NZ LYS A 28 0.116 16.227 -11.370 1.00 0.00 N ATOM 0 H LYS A 28 -1.209 13.249 -5.299 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.967 15.348 -6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.283 13.854 -7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.489 15.105 -7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.083 16.803 -8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.621 15.888 -8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.987 14.441 -10.010 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.671 14.904 -10.152 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.961 16.321 -11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.432 17.345 -10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.337 16.985 -12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.755 16.295 -10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.242 15.303 -11.831 1.00 0.00 H new ATOM 459 N GLY A 29 -2.710 16.198 -4.080 1.00 0.00 N ATOM 460 CA GLY A 29 -3.479 17.170 -3.326 1.00 0.00 C ATOM 461 C GLY A 29 -4.814 16.619 -2.856 1.00 0.00 C ATOM 462 O GLY A 29 -5.464 17.206 -1.992 1.00 0.00 O ATOM 0 H GLY A 29 -2.066 15.636 -3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.900 17.495 -2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.651 18.051 -3.944 1.00 0.00 H new ATOM 466 N GLN A 30 -5.221 15.486 -3.423 1.00 0.00 N ATOM 467 CA GLN A 30 -6.481 14.854 -3.052 1.00 0.00 C ATOM 468 C GLN A 30 -6.225 13.467 -2.471 1.00 0.00 C ATOM 469 O GLN A 30 -6.063 12.503 -3.212 1.00 0.00 O ATOM 470 CB GLN A 30 -7.407 14.722 -4.276 1.00 0.00 C ATOM 471 CG GLN A 30 -7.003 15.559 -5.485 1.00 0.00 C ATOM 472 CD GLN A 30 -6.931 14.736 -6.754 1.00 0.00 C ATOM 473 OE1 GLN A 30 -7.416 15.148 -7.808 1.00 0.00 O ATOM 474 NE2 GLN A 30 -6.324 13.560 -6.655 1.00 0.00 N ATOM 0 H GLN A 30 -4.695 14.988 -4.141 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.964 15.483 -2.304 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.442 13.674 -4.574 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.418 15.003 -3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.720 16.369 -5.620 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.033 16.020 -5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.937 13.260 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.245 12.956 -7.473 1.00 0.00 H new ATOM 483 N PRO A 31 -6.182 13.339 -1.136 1.00 0.00 N ATOM 484 CA PRO A 31 -5.938 12.056 -0.482 1.00 0.00 C ATOM 485 C PRO A 31 -7.124 11.101 -0.583 1.00 0.00 C ATOM 486 O PRO A 31 -8.260 11.464 -0.280 1.00 0.00 O ATOM 487 CB PRO A 31 -5.670 12.431 0.986 1.00 0.00 C ATOM 488 CG PRO A 31 -5.530 13.918 0.999 1.00 0.00 C ATOM 489 CD PRO A 31 -6.341 14.415 -0.159 1.00 0.00 C ATOM 0 HA PRO A 31 -5.112 11.524 -0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.489 12.108 1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.765 11.948 1.355 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.892 14.337 1.938 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.485 14.213 0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.386 14.567 0.112 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.968 15.367 -0.538 1.00 0.00 H new ATOM 497 N MET A 32 -6.837 9.875 -1.006 1.00 0.00 N ATOM 498 CA MET A 32 -7.859 8.845 -1.147 1.00 0.00 C ATOM 499 C MET A 32 -7.471 7.607 -0.347 1.00 0.00 C ATOM 500 O MET A 32 -6.296 7.393 -0.052 1.00 0.00 O ATOM 501 CB MET A 32 -8.044 8.478 -2.622 1.00 0.00 C ATOM 502 CG MET A 32 -8.598 9.614 -3.465 1.00 0.00 C ATOM 503 SD MET A 32 -10.392 9.541 -3.639 1.00 0.00 S ATOM 504 CE MET A 32 -10.699 11.025 -4.593 1.00 0.00 C ATOM 0 H MET A 32 -5.897 9.569 -1.259 1.00 0.00 H new ATOM 0 HA MET A 32 -8.801 9.235 -0.761 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.084 8.166 -3.033 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.715 7.622 -2.694 1.00 0.00 H new ATOM 0 HG2 MET A 32 -8.319 10.566 -3.013 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.140 9.584 -4.454 1.00 0.00 H new ATOM 0 HE1 MET A 32 -11.768 11.121 -4.783 1.00 0.00 H new ATOM 0 HE2 MET A 32 -10.350 11.894 -4.036 1.00 0.00 H new ATOM 0 HE3 MET A 32 -10.166 10.964 -5.542 1.00 0.00 H new ATOM 514 N THR A 33 -8.461 6.798 0.006 1.00 0.00 N ATOM 515 CA THR A 33 -8.212 5.588 0.776 1.00 0.00 C ATOM 516 C THR A 33 -7.869 4.418 -0.139 1.00 0.00 C ATOM 517 O THR A 33 -8.673 4.021 -0.982 1.00 0.00 O ATOM 518 CB THR A 33 -9.435 5.240 1.624 1.00 0.00 C ATOM 519 OG1 THR A 33 -10.630 5.578 0.942 1.00 0.00 O ATOM 520 CG2 THR A 33 -9.455 5.942 2.965 1.00 0.00 C ATOM 0 H THR A 33 -9.441 6.957 -0.228 1.00 0.00 H new ATOM 0 HA THR A 33 -7.361 5.775 1.431 1.00 0.00 H new ATOM 0 HB THR A 33 -9.370 4.166 1.798 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.402 5.346 1.500 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.350 5.650 3.515 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.570 5.661 3.536 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.460 7.021 2.811 1.00 0.00 H new ATOM 528 N PHE A 34 -6.674 3.862 0.038 1.00 0.00 N ATOM 529 CA PHE A 34 -6.237 2.730 -0.770 1.00 0.00 C ATOM 530 C PHE A 34 -6.153 1.464 0.078 1.00 0.00 C ATOM 531 O PHE A 34 -5.260 1.322 0.914 1.00 0.00 O ATOM 532 CB PHE A 34 -4.889 3.022 -1.424 1.00 0.00 C ATOM 533 CG PHE A 34 -4.937 4.188 -2.362 1.00 0.00 C ATOM 534 CD1 PHE A 34 -5.101 5.470 -1.871 1.00 0.00 C ATOM 535 CD2 PHE A 34 -4.826 4.006 -3.731 1.00 0.00 C ATOM 536 CE1 PHE A 34 -5.150 6.554 -2.725 1.00 0.00 C ATOM 537 CE2 PHE A 34 -4.877 5.087 -4.592 1.00 0.00 C ATOM 538 CZ PHE A 34 -5.038 6.364 -4.087 1.00 0.00 C ATOM 0 H PHE A 34 -5.994 4.176 0.731 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.974 2.570 -1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.149 3.217 -0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.556 2.138 -1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.192 5.626 -0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.698 3.010 -4.130 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.276 7.550 -2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.791 4.934 -5.658 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.076 7.210 -4.757 1.00 0.00 H new ATOM 548 N ARG A 35 -7.094 0.551 -0.139 1.00 0.00 N ATOM 549 CA ARG A 35 -7.140 -0.701 0.606 1.00 0.00 C ATOM 550 C ARG A 35 -6.420 -1.820 -0.144 1.00 0.00 C ATOM 551 O ARG A 35 -6.904 -2.306 -1.167 1.00 0.00 O ATOM 552 CB ARG A 35 -8.599 -1.091 0.872 1.00 0.00 C ATOM 553 CG ARG A 35 -8.786 -2.532 1.325 1.00 0.00 C ATOM 554 CD ARG A 35 -9.464 -3.373 0.255 1.00 0.00 C ATOM 555 NE ARG A 35 -10.118 -4.552 0.818 1.00 0.00 N ATOM 556 CZ ARG A 35 -11.304 -4.526 1.422 1.00 0.00 C ATOM 557 NH1 ARG A 35 -11.968 -3.383 1.545 1.00 0.00 N ATOM 558 NH2 ARG A 35 -11.827 -5.643 1.905 1.00 0.00 N ATOM 0 H ARG A 35 -7.838 0.656 -0.828 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.626 -0.554 1.556 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.008 -0.427 1.633 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.178 -0.929 -0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.816 -2.966 1.569 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.383 -2.553 2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.201 -2.766 -0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.725 -3.686 -0.483 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.637 -5.448 0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.570 -2.520 1.176 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.876 -3.368 2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.321 -6.524 1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.736 -5.622 2.368 1.00 0.00 H new ATOM 572 N LEU A 36 -5.267 -2.232 0.381 1.00 0.00 N ATOM 573 CA LEU A 36 -4.475 -3.304 -0.226 1.00 0.00 C ATOM 574 C LEU A 36 -3.109 -3.423 0.445 1.00 0.00 C ATOM 575 O LEU A 36 -2.539 -4.512 0.519 1.00 0.00 O ATOM 576 CB LEU A 36 -4.290 -3.067 -1.730 1.00 0.00 C ATOM 577 CG LEU A 36 -4.622 -4.269 -2.616 1.00 0.00 C ATOM 578 CD1 LEU A 36 -6.077 -4.225 -3.054 1.00 0.00 C ATOM 579 CD2 LEU A 36 -3.700 -4.310 -3.826 1.00 0.00 C ATOM 0 H LEU A 36 -4.858 -1.839 1.229 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.022 -4.236 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.917 -2.228 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.256 -2.774 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.467 -5.178 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.294 -5.088 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.722 -4.245 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.260 -3.310 -3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.950 -5.171 -4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.823 -3.397 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.665 -4.391 -3.493 1.00 0.00 H new ATOM 900 N PRO A 56 1.573 -3.653 14.969 1.00 0.00 N ATOM 901 CA PRO A 56 2.221 -2.434 14.461 1.00 0.00 C ATOM 902 C PRO A 56 2.835 -2.558 13.068 1.00 0.00 C ATOM 903 O PRO A 56 2.745 -1.632 12.264 1.00 0.00 O ATOM 904 CB PRO A 56 3.325 -2.220 15.481 1.00 0.00 C ATOM 905 CG PRO A 56 2.728 -2.670 16.768 1.00 0.00 C ATOM 906 CD PRO A 56 1.789 -3.799 16.425 1.00 0.00 C ATOM 0 HA PRO A 56 1.498 -1.626 14.351 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.215 -2.798 15.231 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.627 -1.174 15.527 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.501 -3.004 17.460 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.194 -1.854 17.256 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.224 -4.768 16.669 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.853 -3.722 16.977 1.00 0.00 H new ATOM 914 N GLU A 57 3.482 -3.680 12.791 1.00 0.00 N ATOM 915 CA GLU A 57 4.134 -3.889 11.496 1.00 0.00 C ATOM 916 C GLU A 57 3.246 -3.473 10.314 1.00 0.00 C ATOM 917 O GLU A 57 3.745 -3.244 9.211 1.00 0.00 O ATOM 918 CB GLU A 57 4.554 -5.354 11.350 1.00 0.00 C ATOM 919 CG GLU A 57 6.041 -5.533 11.089 1.00 0.00 C ATOM 920 CD GLU A 57 6.880 -5.335 12.336 1.00 0.00 C ATOM 921 OE1 GLU A 57 6.371 -5.604 13.444 1.00 0.00 O ATOM 922 OE2 GLU A 57 8.048 -4.910 12.205 1.00 0.00 O ATOM 0 H GLU A 57 3.573 -4.461 13.440 1.00 0.00 H new ATOM 0 HA GLU A 57 5.016 -3.249 11.474 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.285 -5.894 12.258 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.992 -5.805 10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.219 -6.532 10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.360 -4.824 10.325 1.00 0.00 H new ATOM 929 N ALA A 58 1.938 -3.384 10.541 1.00 0.00 N ATOM 930 CA ALA A 58 1.001 -3.007 9.490 1.00 0.00 C ATOM 931 C ALA A 58 0.775 -1.499 9.439 1.00 0.00 C ATOM 932 O ALA A 58 1.105 -0.851 8.452 1.00 0.00 O ATOM 933 CB ALA A 58 -0.323 -3.731 9.682 1.00 0.00 C ATOM 0 H ALA A 58 1.504 -3.568 11.445 1.00 0.00 H new ATOM 0 HA ALA A 58 1.441 -3.304 8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.014 -3.441 8.891 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.158 -4.808 9.643 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.747 -3.464 10.650 1.00 0.00 H new ATOM 939 N SER A 59 0.185 -0.949 10.497 1.00 0.00 N ATOM 940 CA SER A 59 -0.111 0.481 10.550 1.00 0.00 C ATOM 941 C SER A 59 1.062 1.293 11.096 1.00 0.00 C ATOM 942 O SER A 59 1.260 2.445 10.714 1.00 0.00 O ATOM 943 CB SER A 59 -1.356 0.728 11.406 1.00 0.00 C ATOM 944 OG SER A 59 -2.301 1.525 10.715 1.00 0.00 O ATOM 0 H SER A 59 -0.097 -1.470 11.327 1.00 0.00 H new ATOM 0 HA SER A 59 -0.294 0.813 9.528 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.809 -0.225 11.677 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.070 1.221 12.335 1.00 0.00 H new ATOM 0 HG SER A 59 -3.087 1.667 11.283 1.00 0.00 H new ATOM 950 N ALA A 60 1.826 0.697 12.003 1.00 0.00 N ATOM 951 CA ALA A 60 2.964 1.380 12.609 1.00 0.00 C ATOM 952 C ALA A 60 4.158 1.458 11.660 1.00 0.00 C ATOM 953 O ALA A 60 4.906 2.436 11.675 1.00 0.00 O ATOM 954 CB ALA A 60 3.364 0.683 13.900 1.00 0.00 C ATOM 0 H ALA A 60 1.679 -0.256 12.335 1.00 0.00 H new ATOM 0 HA ALA A 60 2.655 2.402 12.828 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.214 1.200 14.344 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.526 0.698 14.596 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.639 -0.350 13.686 1.00 0.00 H new ATOM 960 N PHE A 61 4.347 0.423 10.849 1.00 0.00 N ATOM 961 CA PHE A 61 5.468 0.386 9.915 1.00 0.00 C ATOM 962 C PHE A 61 5.104 0.999 8.564 1.00 0.00 C ATOM 963 O PHE A 61 5.963 1.552 7.877 1.00 0.00 O ATOM 964 CB PHE A 61 5.943 -1.055 9.720 1.00 0.00 C ATOM 965 CG PHE A 61 7.432 -1.216 9.826 1.00 0.00 C ATOM 966 CD1 PHE A 61 8.277 -0.537 8.962 1.00 0.00 C ATOM 967 CD2 PHE A 61 7.987 -2.046 10.786 1.00 0.00 C ATOM 968 CE1 PHE A 61 9.649 -0.683 9.056 1.00 0.00 C ATOM 969 CE2 PHE A 61 9.356 -2.196 10.885 1.00 0.00 C ATOM 970 CZ PHE A 61 10.189 -1.513 10.018 1.00 0.00 C ATOM 0 H PHE A 61 3.742 -0.398 10.819 1.00 0.00 H new ATOM 0 HA PHE A 61 6.273 0.982 10.345 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.463 -1.691 10.464 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.616 -1.407 8.742 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.859 0.113 8.207 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.341 -2.582 11.465 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.297 -0.148 8.378 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.776 -2.846 11.639 1.00 0.00 H new ATOM 0 HZ PHE A 61 11.260 -1.629 10.093 1.00 0.00 H new ATOM 980 N THR A 62 3.839 0.885 8.179 1.00 0.00 N ATOM 981 CA THR A 62 3.386 1.420 6.899 1.00 0.00 C ATOM 982 C THR A 62 3.594 2.933 6.815 1.00 0.00 C ATOM 983 O THR A 62 4.233 3.423 5.883 1.00 0.00 O ATOM 984 CB THR A 62 1.917 1.063 6.661 1.00 0.00 C ATOM 985 OG1 THR A 62 1.520 1.423 5.349 1.00 0.00 O ATOM 986 CG2 THR A 62 0.963 1.730 7.627 1.00 0.00 C ATOM 0 H THR A 62 3.111 0.430 8.730 1.00 0.00 H new ATOM 0 HA THR A 62 3.990 0.962 6.115 1.00 0.00 H new ATOM 0 HB THR A 62 1.860 -0.015 6.814 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.579 1.185 5.215 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.059 1.429 7.396 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.208 1.430 8.646 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.051 2.813 7.537 1.00 0.00 H new ATOM 994 N LYS A 63 3.062 3.672 7.787 1.00 0.00 N ATOM 995 CA LYS A 63 3.205 5.125 7.807 1.00 0.00 C ATOM 996 C LYS A 63 4.665 5.525 7.996 1.00 0.00 C ATOM 997 O LYS A 63 5.160 6.439 7.337 1.00 0.00 O ATOM 998 CB LYS A 63 2.359 5.722 8.931 1.00 0.00 C ATOM 999 CG LYS A 63 2.688 5.148 10.295 1.00 0.00 C ATOM 1000 CD LYS A 63 1.473 5.139 11.208 1.00 0.00 C ATOM 1001 CE LYS A 63 1.112 6.542 11.668 1.00 0.00 C ATOM 1002 NZ LYS A 63 0.025 6.532 12.685 1.00 0.00 N ATOM 0 H LYS A 63 2.530 3.289 8.568 1.00 0.00 H new ATOM 0 HA LYS A 63 2.859 5.513 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.506 6.802 8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.305 5.548 8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.065 4.132 10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.484 5.734 10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.626 4.698 10.683 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.673 4.511 12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.995 7.025 12.086 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.800 7.136 10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.530 7.408 12.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.595 5.713 12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.440 6.468 13.636 1.00 0.00 H new ATOM 1016 N LYS A 64 5.349 4.837 8.906 1.00 0.00 N ATOM 1017 CA LYS A 64 6.750 5.123 9.189 1.00 0.00 C ATOM 1018 C LYS A 64 7.624 4.848 7.968 1.00 0.00 C ATOM 1019 O LYS A 64 8.443 5.681 7.580 1.00 0.00 O ATOM 1020 CB LYS A 64 7.233 4.282 10.373 1.00 0.00 C ATOM 1021 CG LYS A 64 8.633 4.645 10.845 1.00 0.00 C ATOM 1022 CD LYS A 64 9.596 3.478 10.693 1.00 0.00 C ATOM 1023 CE LYS A 64 9.666 2.644 11.962 1.00 0.00 C ATOM 1024 NZ LYS A 64 10.680 3.171 12.916 1.00 0.00 N ATOM 0 H LYS A 64 4.954 4.077 9.460 1.00 0.00 H new ATOM 0 HA LYS A 64 6.833 6.180 9.441 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.536 4.403 11.202 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.215 3.229 10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.001 5.497 10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.597 4.954 11.890 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.279 2.850 9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.589 3.854 10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.688 2.631 12.442 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.909 1.613 11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.697 2.575 13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.618 3.160 12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.434 4.146 13.180 1.00 0.00 H new ATOM 1038 N MET A 65 7.445 3.675 7.369 1.00 0.00 N ATOM 1039 CA MET A 65 8.222 3.293 6.193 1.00 0.00 C ATOM 1040 C MET A 65 8.080 4.327 5.080 1.00 0.00 C ATOM 1041 O MET A 65 8.997 4.526 4.285 1.00 0.00 O ATOM 1042 CB MET A 65 7.778 1.919 5.685 1.00 0.00 C ATOM 1043 CG MET A 65 8.731 1.312 4.667 1.00 0.00 C ATOM 1044 SD MET A 65 9.629 -0.113 5.314 1.00 0.00 S ATOM 1045 CE MET A 65 11.063 -0.126 4.241 1.00 0.00 C ATOM 0 H MET A 65 6.771 2.974 7.677 1.00 0.00 H new ATOM 0 HA MET A 65 9.271 3.245 6.486 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.684 1.240 6.533 1.00 0.00 H new ATOM 0 HB3 MET A 65 6.789 2.008 5.237 1.00 0.00 H new ATOM 0 HG2 MET A 65 8.168 1.011 3.784 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.445 2.071 4.347 1.00 0.00 H new ATOM 0 HE1 MET A 65 11.430 -1.147 4.136 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.788 0.263 3.261 1.00 0.00 H new ATOM 0 HE3 MET A 65 11.846 0.498 4.672 1.00 0.00 H new ATOM 1055 N VAL A 66 6.925 4.985 5.031 1.00 0.00 N ATOM 1056 CA VAL A 66 6.671 5.998 4.015 1.00 0.00 C ATOM 1057 C VAL A 66 7.051 7.386 4.519 1.00 0.00 C ATOM 1058 O VAL A 66 7.457 8.249 3.740 1.00 0.00 O ATOM 1059 CB VAL A 66 5.193 6.005 3.579 1.00 0.00 C ATOM 1060 CG1 VAL A 66 4.799 4.651 3.009 1.00 0.00 C ATOM 1061 CG2 VAL A 66 4.289 6.384 4.743 1.00 0.00 C ATOM 0 H VAL A 66 6.154 4.835 5.681 1.00 0.00 H new ATOM 0 HA VAL A 66 7.290 5.744 3.154 1.00 0.00 H new ATOM 0 HB VAL A 66 5.070 6.755 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.752 4.674 2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.422 4.425 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.940 3.882 3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.250 6.383 4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.414 5.663 5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.554 7.379 5.101 1.00 0.00 H new ATOM 1071 N GLU A 67 6.914 7.597 5.824 1.00 0.00 N ATOM 1072 CA GLU A 67 7.243 8.886 6.427 1.00 0.00 C ATOM 1073 C GLU A 67 8.755 9.121 6.468 1.00 0.00 C ATOM 1074 O GLU A 67 9.207 10.201 6.848 1.00 0.00 O ATOM 1075 CB GLU A 67 6.664 8.969 7.841 1.00 0.00 C ATOM 1076 CG GLU A 67 5.315 9.665 7.906 1.00 0.00 C ATOM 1077 CD GLU A 67 4.885 9.969 9.327 1.00 0.00 C ATOM 1078 OE1 GLU A 67 4.601 9.012 10.079 1.00 0.00 O ATOM 1079 OE2 GLU A 67 4.830 11.162 9.688 1.00 0.00 O ATOM 0 H GLU A 67 6.579 6.895 6.484 1.00 0.00 H new ATOM 0 HA GLU A 67 6.800 9.665 5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.563 7.961 8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.368 9.499 8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.362 10.594 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.563 9.037 7.429 1.00 0.00 H new ATOM 1086 N ASN A 68 9.536 8.112 6.083 1.00 0.00 N ATOM 1087 CA ASN A 68 10.991 8.231 6.091 1.00 0.00 C ATOM 1088 C ASN A 68 11.529 8.643 4.722 1.00 0.00 C ATOM 1089 O ASN A 68 12.583 9.269 4.626 1.00 0.00 O ATOM 1090 CB ASN A 68 11.626 6.907 6.521 1.00 0.00 C ATOM 1091 CG ASN A 68 11.589 6.706 8.023 1.00 0.00 C ATOM 1092 OD1 ASN A 68 11.335 7.644 8.779 1.00 0.00 O ATOM 1093 ND2 ASN A 68 11.842 5.479 8.461 1.00 0.00 N ATOM 0 H ASN A 68 9.187 7.208 5.764 1.00 0.00 H new ATOM 0 HA ASN A 68 11.255 9.011 6.806 1.00 0.00 H new ATOM 0 HB2 ASN A 68 11.104 6.083 6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.660 6.876 6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.831 5.282 9.462 1.00 0.00 H new ATOM 0 HD22 ASN A 68 12.048 4.733 7.797 1.00 0.00 H new ATOM 1100 N ALA A 69 10.806 8.284 3.666 1.00 0.00 N ATOM 1101 CA ALA A 69 11.225 8.617 2.308 1.00 0.00 C ATOM 1102 C ALA A 69 10.344 9.706 1.705 1.00 0.00 C ATOM 1103 O ALA A 69 9.169 9.830 2.049 1.00 0.00 O ATOM 1104 CB ALA A 69 11.206 7.375 1.430 1.00 0.00 C ATOM 0 H ALA A 69 9.930 7.764 3.723 1.00 0.00 H new ATOM 0 HA ALA A 69 12.244 9.001 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.521 7.638 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.888 6.629 1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.196 6.966 1.400 1.00 0.00 H new ATOM 1110 N LYS A 70 10.922 10.492 0.801 1.00 0.00 N ATOM 1111 CA LYS A 70 10.190 11.572 0.147 1.00 0.00 C ATOM 1112 C LYS A 70 9.705 11.152 -1.240 1.00 0.00 C ATOM 1113 O LYS A 70 9.355 11.996 -2.065 1.00 0.00 O ATOM 1114 CB LYS A 70 11.070 12.818 0.035 1.00 0.00 C ATOM 1115 CG LYS A 70 10.285 14.119 0.018 1.00 0.00 C ATOM 1116 CD LYS A 70 11.208 15.327 0.067 1.00 0.00 C ATOM 1117 CE LYS A 70 11.665 15.621 1.486 1.00 0.00 C ATOM 1118 NZ LYS A 70 10.519 15.724 2.429 1.00 0.00 N ATOM 0 H LYS A 70 11.894 10.401 0.505 1.00 0.00 H new ATOM 0 HA LYS A 70 9.318 11.802 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.768 12.836 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.666 12.751 -0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.673 14.164 -0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.604 14.145 0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.077 15.148 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.692 16.197 -0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.340 14.833 1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.231 16.553 1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.711 16.468 3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.655 15.961 1.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.388 14.815 2.917 1.00 0.00 H new ATOM 1132 N LYS A 71 9.681 9.845 -1.491 1.00 0.00 N ATOM 1133 CA LYS A 71 9.232 9.324 -2.777 1.00 0.00 C ATOM 1134 C LYS A 71 8.291 8.143 -2.583 1.00 0.00 C ATOM 1135 O LYS A 71 8.730 7.015 -2.357 1.00 0.00 O ATOM 1136 CB LYS A 71 10.425 8.904 -3.638 1.00 0.00 C ATOM 1137 CG LYS A 71 11.471 8.098 -2.888 1.00 0.00 C ATOM 1138 CD LYS A 71 12.881 8.514 -3.276 1.00 0.00 C ATOM 1139 CE LYS A 71 13.359 9.697 -2.450 1.00 0.00 C ATOM 1140 NZ LYS A 71 12.810 10.985 -2.954 1.00 0.00 N ATOM 0 H LYS A 71 9.967 9.130 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 71 8.693 10.120 -3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.063 8.316 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.895 9.797 -4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.334 8.231 -1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.333 7.037 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.561 7.673 -3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.907 8.773 -4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.061 9.558 -1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.448 9.735 -2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.355 11.775 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.877 11.009 -3.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.814 11.073 -2.669 1.00 0.00 H new ATOM 1154 N ILE A 72 6.995 8.413 -2.671 1.00 0.00 N ATOM 1155 CA ILE A 72 5.987 7.377 -2.504 1.00 0.00 C ATOM 1156 C ILE A 72 5.150 7.217 -3.767 1.00 0.00 C ATOM 1157 O ILE A 72 4.163 7.925 -3.962 1.00 0.00 O ATOM 1158 CB ILE A 72 5.051 7.693 -1.322 1.00 0.00 C ATOM 1159 CG1 ILE A 72 5.865 8.080 -0.084 1.00 0.00 C ATOM 1160 CG2 ILE A 72 4.154 6.501 -1.024 1.00 0.00 C ATOM 1161 CD1 ILE A 72 5.788 9.554 0.253 1.00 0.00 C ATOM 0 H ILE A 72 6.618 9.342 -2.857 1.00 0.00 H new ATOM 0 HA ILE A 72 6.519 6.447 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 72 4.420 8.539 -1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.511 7.501 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.908 7.806 -0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.498 6.739 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.551 6.271 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.769 5.638 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.388 9.756 1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.169 10.139 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.751 9.830 0.445 1.00 0.00 H new ATOM 1173 N GLU A 73 5.548 6.280 -4.623 1.00 0.00 N ATOM 1174 CA GLU A 73 4.821 6.032 -5.865 1.00 0.00 C ATOM 1175 C GLU A 73 4.003 4.750 -5.761 1.00 0.00 C ATOM 1176 O GLU A 73 4.508 3.712 -5.333 1.00 0.00 O ATOM 1177 CB GLU A 73 5.787 5.955 -7.049 1.00 0.00 C ATOM 1178 CG GLU A 73 6.709 7.158 -7.164 1.00 0.00 C ATOM 1179 CD GLU A 73 6.695 7.774 -8.549 1.00 0.00 C ATOM 1180 OE1 GLU A 73 7.028 7.063 -9.520 1.00 0.00 O ATOM 1181 OE2 GLU A 73 6.352 8.970 -8.663 1.00 0.00 O ATOM 0 H GLU A 73 6.363 5.684 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 73 4.137 6.864 -6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.391 5.053 -6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.212 5.860 -7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.412 7.910 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.726 6.856 -6.915 1.00 0.00 H new ATOM 1188 N VAL A 74 2.733 4.835 -6.142 1.00 0.00 N ATOM 1189 CA VAL A 74 1.837 3.687 -6.077 1.00 0.00 C ATOM 1190 C VAL A 74 1.548 3.112 -7.460 1.00 0.00 C ATOM 1191 O VAL A 74 1.456 3.845 -8.444 1.00 0.00 O ATOM 1192 CB VAL A 74 0.500 4.067 -5.415 1.00 0.00 C ATOM 1193 CG1 VAL A 74 0.713 4.439 -3.956 1.00 0.00 C ATOM 1194 CG2 VAL A 74 -0.160 5.208 -6.171 1.00 0.00 C ATOM 0 H VAL A 74 2.301 5.687 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 74 2.346 2.932 -5.478 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.163 3.203 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.243 4.705 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.142 3.591 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.393 5.289 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.104 5.465 -5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.498 6.077 -6.166 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.348 4.902 -7.200 1.00 0.00 H new ATOM 1204 N GLU A 75 1.395 1.794 -7.518 1.00 0.00 N ATOM 1205 CA GLU A 75 1.100 1.108 -8.772 1.00 0.00 C ATOM 1206 C GLU A 75 -0.388 0.794 -8.871 1.00 0.00 C ATOM 1207 O GLU A 75 -0.782 -0.356 -9.064 1.00 0.00 O ATOM 1208 CB GLU A 75 1.911 -0.185 -8.878 1.00 0.00 C ATOM 1209 CG GLU A 75 2.167 -0.624 -10.312 1.00 0.00 C ATOM 1210 CD GLU A 75 2.866 -1.968 -10.392 1.00 0.00 C ATOM 1211 OE1 GLU A 75 2.322 -2.953 -9.852 1.00 0.00 O ATOM 1212 OE2 GLU A 75 3.957 -2.033 -10.996 1.00 0.00 O ATOM 0 H GLU A 75 1.470 1.177 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 75 1.377 1.767 -9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.867 -0.048 -8.372 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.383 -0.980 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.219 -0.679 -10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.774 0.128 -10.816 1.00 0.00 H new ATOM 1219 N PHE A 76 -1.212 1.824 -8.721 1.00 0.00 N ATOM 1220 CA PHE A 76 -2.660 1.657 -8.776 1.00 0.00 C ATOM 1221 C PHE A 76 -3.218 2.002 -10.161 1.00 0.00 C ATOM 1222 O PHE A 76 -2.533 2.605 -10.987 1.00 0.00 O ATOM 1223 CB PHE A 76 -3.319 2.513 -7.683 1.00 0.00 C ATOM 1224 CG PHE A 76 -4.038 3.734 -8.187 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -3.390 4.656 -8.993 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -5.362 3.958 -7.851 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -4.051 5.776 -9.455 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -6.027 5.077 -8.308 1.00 0.00 C ATOM 1229 CZ PHE A 76 -5.371 5.988 -9.112 1.00 0.00 C ATOM 0 H PHE A 76 -0.903 2.783 -8.560 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.894 0.608 -8.595 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.027 1.893 -7.133 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.552 2.827 -6.975 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.356 4.497 -9.263 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.881 3.248 -7.224 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.536 6.486 -10.085 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.060 5.240 -8.037 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.890 6.864 -9.472 1.00 0.00 H new ATOM 1239 N ASP A 77 -4.470 1.615 -10.399 1.00 0.00 N ATOM 1240 CA ASP A 77 -5.139 1.879 -11.671 1.00 0.00 C ATOM 1241 C ASP A 77 -6.145 3.020 -11.533 1.00 0.00 C ATOM 1242 O ASP A 77 -6.549 3.371 -10.424 1.00 0.00 O ATOM 1243 CB ASP A 77 -5.851 0.620 -12.173 1.00 0.00 C ATOM 1244 CG ASP A 77 -5.714 0.440 -13.672 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -6.329 1.225 -14.423 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -4.990 -0.486 -14.095 1.00 0.00 O ATOM 0 H ASP A 77 -5.045 1.114 -9.722 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.378 2.172 -12.394 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.441 -0.253 -11.666 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.908 0.674 -11.911 1.00 0.00 H new ATOM 1251 N LYS A 78 -6.547 3.589 -12.665 1.00 0.00 N ATOM 1252 CA LYS A 78 -7.509 4.688 -12.669 1.00 0.00 C ATOM 1253 C LYS A 78 -8.940 4.173 -12.817 1.00 0.00 C ATOM 1254 O LYS A 78 -9.827 4.901 -13.265 1.00 0.00 O ATOM 1255 CB LYS A 78 -7.187 5.670 -13.798 1.00 0.00 C ATOM 1256 CG LYS A 78 -7.091 7.114 -13.337 1.00 0.00 C ATOM 1257 CD LYS A 78 -8.362 7.561 -12.631 1.00 0.00 C ATOM 1258 CE LYS A 78 -8.282 9.020 -12.211 1.00 0.00 C ATOM 1259 NZ LYS A 78 -8.125 9.929 -13.381 1.00 0.00 N ATOM 0 H LYS A 78 -6.223 3.309 -13.591 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.431 5.203 -11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.244 5.382 -14.261 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.956 5.593 -14.566 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.241 7.226 -12.664 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.905 7.759 -14.196 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.216 7.418 -13.292 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.531 6.937 -11.753 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.184 9.289 -11.661 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.441 9.156 -11.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.311 10.909 -13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.155 9.856 -13.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.799 9.657 -14.125 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.162 2.919 -12.432 1.00 0.00 N ATOM 1274 CA GLY A 79 -10.485 2.335 -12.522 1.00 0.00 C ATOM 1275 C GLY A 79 -10.639 1.165 -11.582 1.00 0.00 C ATOM 1276 O GLY A 79 -11.507 0.312 -11.771 1.00 0.00 O ATOM 0 H GLY A 79 -8.445 2.297 -12.058 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.234 3.091 -12.289 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.670 2.008 -13.545 1.00 0.00 H new ATOM 1280 N GLN A 80 -9.784 1.117 -10.566 1.00 0.00 N ATOM 1281 CA GLN A 80 -9.816 0.042 -9.601 1.00 0.00 C ATOM 1282 C GLN A 80 -10.926 0.246 -8.595 1.00 0.00 C ATOM 1283 O GLN A 80 -11.060 1.310 -7.991 1.00 0.00 O ATOM 1284 CB GLN A 80 -8.477 -0.084 -8.889 1.00 0.00 C ATOM 1285 CG GLN A 80 -7.363 -0.498 -9.824 1.00 0.00 C ATOM 1286 CD GLN A 80 -7.122 -1.994 -9.823 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -8.025 -2.779 -9.532 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -5.900 -2.399 -10.148 1.00 0.00 N ATOM 0 H GLN A 80 -9.061 1.816 -10.396 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.011 -0.884 -10.142 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.224 0.870 -8.426 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.563 -0.815 -8.085 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.605 -0.174 -10.836 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -6.444 0.014 -9.537 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.181 -1.714 -10.382 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.680 -3.395 -10.163 1.00 0.00 H new ATOM 1297 N ARG A 81 -11.711 -0.802 -8.444 1.00 0.00 N ATOM 1298 CA ARG A 81 -12.855 -0.829 -7.521 1.00 0.00 C ATOM 1299 C ARG A 81 -12.699 0.191 -6.395 1.00 0.00 C ATOM 1300 O ARG A 81 -11.752 0.125 -5.611 1.00 0.00 O ATOM 1301 CB ARG A 81 -13.024 -2.231 -6.933 1.00 0.00 C ATOM 1302 CG ARG A 81 -14.117 -3.045 -7.604 1.00 0.00 C ATOM 1303 CD ARG A 81 -13.603 -3.746 -8.852 1.00 0.00 C ATOM 1304 NE ARG A 81 -12.848 -4.954 -8.528 1.00 0.00 N ATOM 1305 CZ ARG A 81 -12.311 -5.760 -9.442 1.00 0.00 C ATOM 1306 NH1 ARG A 81 -12.443 -5.489 -10.734 1.00 0.00 N ATOM 1307 NH2 ARG A 81 -11.640 -6.838 -9.061 1.00 0.00 N ATOM 0 H ARG A 81 -11.581 -1.673 -8.958 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.745 -0.563 -8.092 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.079 -2.768 -7.018 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.247 -2.145 -5.870 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.504 -3.785 -6.903 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.948 -2.392 -7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.444 -4.005 -9.495 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.969 -3.063 -9.417 1.00 0.00 H new ATOM 0 HE ARG A 81 -12.725 -5.194 -7.544 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.958 -4.660 -11.031 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.030 -6.110 -11.430 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.535 -7.049 -8.069 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.228 -7.456 -9.760 1.00 0.00 H new ATOM 1321 N THR A 82 -13.626 1.141 -6.331 1.00 0.00 N ATOM 1322 CA THR A 82 -13.580 2.184 -5.313 1.00 0.00 C ATOM 1323 C THR A 82 -14.683 2.005 -4.271 1.00 0.00 C ATOM 1324 O THR A 82 -15.575 1.170 -4.430 1.00 0.00 O ATOM 1325 CB THR A 82 -13.705 3.564 -5.962 1.00 0.00 C ATOM 1326 OG1 THR A 82 -15.058 3.856 -6.260 1.00 0.00 O ATOM 1327 CG2 THR A 82 -12.914 3.701 -7.244 1.00 0.00 C ATOM 0 H THR A 82 -14.417 1.210 -6.971 1.00 0.00 H new ATOM 0 HA THR A 82 -12.618 2.104 -4.806 1.00 0.00 H new ATOM 0 HB THR A 82 -13.300 4.263 -5.230 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.118 4.743 -6.673 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.049 4.704 -7.649 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.857 3.531 -7.039 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.266 2.967 -7.969 1.00 0.00 H new ATOM 1421 N TRP A 88 -9.114 2.337 -2.912 1.00 0.00 N ATOM 1422 CA TRP A 88 -8.377 1.883 -4.085 1.00 0.00 C ATOM 1423 C TRP A 88 -7.258 0.925 -3.703 1.00 0.00 C ATOM 1424 O TRP A 88 -6.839 0.866 -2.554 1.00 0.00 O ATOM 1425 CB TRP A 88 -7.767 3.085 -4.804 1.00 0.00 C ATOM 1426 CG TRP A 88 -8.773 4.029 -5.384 1.00 0.00 C ATOM 1427 CD1 TRP A 88 -9.511 4.951 -4.702 1.00 0.00 C ATOM 1428 CD2 TRP A 88 -9.139 4.159 -6.762 1.00 0.00 C ATOM 1429 NE1 TRP A 88 -10.322 5.642 -5.569 1.00 0.00 N ATOM 1430 CE2 TRP A 88 -10.110 5.176 -6.840 1.00 0.00 C ATOM 1431 CE3 TRP A 88 -8.742 3.516 -7.939 1.00 0.00 C ATOM 1432 CZ2 TRP A 88 -10.689 5.563 -8.046 1.00 0.00 C ATOM 1433 CZ3 TRP A 88 -9.316 3.903 -9.135 1.00 0.00 C ATOM 1434 CH2 TRP A 88 -10.279 4.918 -9.181 1.00 0.00 C ATOM 0 HA TRP A 88 -9.078 1.361 -4.737 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -7.135 3.631 -4.103 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.120 2.725 -5.604 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.465 5.114 -3.635 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -10.975 6.381 -5.309 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.000 2.731 -7.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -11.434 6.344 -8.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.016 3.414 -10.050 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.707 5.198 -10.132 1.00 0.00 H new ATOM 1445 N LEU A 89 -6.753 0.193 -4.680 1.00 0.00 N ATOM 1446 CA LEU A 89 -5.653 -0.732 -4.431 1.00 0.00 C ATOM 1447 C LEU A 89 -4.328 0.030 -4.419 1.00 0.00 C ATOM 1448 O LEU A 89 -4.212 1.086 -5.039 1.00 0.00 O ATOM 1449 CB LEU A 89 -5.631 -1.837 -5.492 1.00 0.00 C ATOM 1450 CG LEU A 89 -4.976 -1.474 -6.832 1.00 0.00 C ATOM 1451 CD1 LEU A 89 -5.440 -0.106 -7.311 1.00 0.00 C ATOM 1452 CD2 LEU A 89 -3.459 -1.521 -6.720 1.00 0.00 C ATOM 0 H LEU A 89 -7.081 0.217 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.798 -1.200 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.109 -2.700 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.658 -2.148 -5.685 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.286 -2.213 -7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.962 0.128 -8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.522 -0.114 -7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.169 0.649 -6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.015 -1.260 -7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.128 -0.810 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.146 -2.526 -6.436 1.00 0.00 H new ATOM 1464 N ALA A 90 -3.329 -0.494 -3.717 1.00 0.00 N ATOM 1465 CA ALA A 90 -2.032 0.175 -3.655 1.00 0.00 C ATOM 1466 C ALA A 90 -1.038 -0.580 -2.783 1.00 0.00 C ATOM 1467 O ALA A 90 -1.418 -1.288 -1.849 1.00 0.00 O ATOM 1468 CB ALA A 90 -2.193 1.598 -3.136 1.00 0.00 C ATOM 0 H ALA A 90 -3.388 -1.366 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.635 0.198 -4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.218 2.083 -3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.849 2.157 -3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.628 1.574 -2.137 1.00 0.00 H new ATOM 1474 N TYR A 91 0.243 -0.399 -3.087 1.00 0.00 N ATOM 1475 CA TYR A 91 1.316 -1.033 -2.332 1.00 0.00 C ATOM 1476 C TYR A 91 2.098 0.021 -1.554 1.00 0.00 C ATOM 1477 O TYR A 91 2.550 -0.221 -0.435 1.00 0.00 O ATOM 1478 CB TYR A 91 2.249 -1.797 -3.271 1.00 0.00 C ATOM 1479 CG TYR A 91 1.667 -3.099 -3.773 1.00 0.00 C ATOM 1480 CD1 TYR A 91 0.617 -3.108 -4.683 1.00 0.00 C ATOM 1481 CD2 TYR A 91 2.165 -4.320 -3.335 1.00 0.00 C ATOM 1482 CE1 TYR A 91 0.082 -4.296 -5.144 1.00 0.00 C ATOM 1483 CE2 TYR A 91 1.635 -5.512 -3.791 1.00 0.00 C ATOM 1484 CZ TYR A 91 0.595 -5.494 -4.695 1.00 0.00 C ATOM 1485 OH TYR A 91 0.064 -6.679 -5.151 1.00 0.00 O ATOM 0 H TYR A 91 0.564 0.187 -3.858 1.00 0.00 H new ATOM 0 HA TYR A 91 0.879 -1.741 -1.628 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.491 -1.164 -4.124 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.185 -2.003 -2.752 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.212 -2.171 -5.036 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.980 -4.338 -2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.733 -4.286 -5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.034 -6.453 -3.441 1.00 0.00 H new ATOM 0 HH TYR A 91 0.539 -7.430 -4.738 1.00 0.00 H new ATOM 1495 N ILE A 92 2.233 1.201 -2.155 1.00 0.00 N ATOM 1496 CA ILE A 92 2.935 2.318 -1.532 1.00 0.00 C ATOM 1497 C ILE A 92 4.349 1.943 -1.097 1.00 0.00 C ATOM 1498 O ILE A 92 4.536 1.196 -0.137 1.00 0.00 O ATOM 1499 CB ILE A 92 2.166 2.847 -0.306 1.00 0.00 C ATOM 1500 CG1 ILE A 92 0.696 3.076 -0.658 1.00 0.00 C ATOM 1501 CG2 ILE A 92 2.798 4.131 0.207 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -0.131 1.812 -0.644 1.00 0.00 C ATOM 0 H ILE A 92 1.861 1.408 -3.082 1.00 0.00 H new ATOM 0 HA ILE A 92 2.998 3.096 -2.293 1.00 0.00 H new ATOM 0 HB ILE A 92 2.220 2.099 0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.268 3.788 0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.634 3.530 -1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.242 4.490 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.832 3.938 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.775 4.887 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.163 2.049 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.272 1.106 -1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.099 1.368 0.351 1.00 0.00 H new ATOM 1514 N TYR A 93 5.343 2.489 -1.791 1.00 0.00 N ATOM 1515 CA TYR A 93 6.737 2.231 -1.451 1.00 0.00 C ATOM 1516 C TYR A 93 7.510 3.532 -1.288 1.00 0.00 C ATOM 1517 O TYR A 93 7.361 4.459 -2.084 1.00 0.00 O ATOM 1518 CB TYR A 93 7.421 1.359 -2.506 1.00 0.00 C ATOM 1519 CG TYR A 93 7.163 1.774 -3.933 1.00 0.00 C ATOM 1520 CD1 TYR A 93 7.728 2.931 -4.455 1.00 0.00 C ATOM 1521 CD2 TYR A 93 6.369 0.997 -4.762 1.00 0.00 C ATOM 1522 CE1 TYR A 93 7.505 3.302 -5.765 1.00 0.00 C ATOM 1523 CE2 TYR A 93 6.142 1.360 -6.076 1.00 0.00 C ATOM 1524 CZ TYR A 93 6.713 2.513 -6.572 1.00 0.00 C ATOM 1525 OH TYR A 93 6.493 2.878 -7.880 1.00 0.00 O ATOM 0 H TYR A 93 5.209 3.110 -2.589 1.00 0.00 H new ATOM 0 HA TYR A 93 6.739 1.694 -0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.496 1.373 -2.327 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.089 0.329 -2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.351 3.549 -3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.921 0.094 -4.375 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.948 4.206 -6.156 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.521 0.745 -6.710 1.00 0.00 H new ATOM 0 HH TYR A 93 7.321 2.769 -8.394 1.00 0.00 H new ATOM 1535 N ALA A 94 8.340 3.590 -0.255 1.00 0.00 N ATOM 1536 CA ALA A 94 9.146 4.773 0.013 1.00 0.00 C ATOM 1537 C ALA A 94 10.606 4.521 -0.344 1.00 0.00 C ATOM 1538 O ALA A 94 11.221 3.578 0.152 1.00 0.00 O ATOM 1539 CB ALA A 94 9.015 5.184 1.472 1.00 0.00 C ATOM 0 H ALA A 94 8.473 2.830 0.412 1.00 0.00 H new ATOM 0 HA ALA A 94 8.779 5.588 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.623 6.070 1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.972 5.407 1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.356 4.370 2.111 1.00 0.00 H new ATOM 1545 N ASP A 95 11.154 5.365 -1.212 1.00 0.00 N ATOM 1546 CA ASP A 95 12.542 5.229 -1.643 1.00 0.00 C ATOM 1547 C ASP A 95 12.700 4.052 -2.602 1.00 0.00 C ATOM 1548 O ASP A 95 13.779 3.470 -2.714 1.00 0.00 O ATOM 1549 CB ASP A 95 13.468 5.050 -0.437 1.00 0.00 C ATOM 1550 CG ASP A 95 14.889 5.490 -0.727 1.00 0.00 C ATOM 1551 OD1 ASP A 95 15.087 6.677 -1.059 1.00 0.00 O ATOM 1552 OD2 ASP A 95 15.805 4.646 -0.623 1.00 0.00 O ATOM 0 H ASP A 95 10.658 6.151 -1.632 1.00 0.00 H new ATOM 0 HA ASP A 95 12.821 6.144 -2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.078 5.623 0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.470 4.002 -0.136 1.00 0.00 H new ATOM 1557 N GLY A 96 11.618 3.711 -3.296 1.00 0.00 N ATOM 1558 CA GLY A 96 11.656 2.609 -4.241 1.00 0.00 C ATOM 1559 C GLY A 96 11.627 1.252 -3.564 1.00 0.00 C ATOM 1560 O GLY A 96 12.047 0.253 -4.150 1.00 0.00 O ATOM 0 H GLY A 96 10.715 4.179 -3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.807 2.689 -4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.558 2.688 -4.848 1.00 0.00 H new ATOM 1564 N LYS A 97 11.133 1.209 -2.331 1.00 0.00 N ATOM 1565 CA LYS A 97 11.055 -0.042 -1.584 1.00 0.00 C ATOM 1566 C LYS A 97 9.721 -0.166 -0.854 1.00 0.00 C ATOM 1567 O LYS A 97 9.432 0.600 0.066 1.00 0.00 O ATOM 1568 CB LYS A 97 12.210 -0.139 -0.583 1.00 0.00 C ATOM 1569 CG LYS A 97 12.511 1.167 0.133 1.00 0.00 C ATOM 1570 CD LYS A 97 13.822 1.095 0.900 1.00 0.00 C ATOM 1571 CE LYS A 97 13.977 2.266 1.856 1.00 0.00 C ATOM 1572 NZ LYS A 97 13.720 1.869 3.268 1.00 0.00 N ATOM 0 H LYS A 97 10.781 2.024 -1.828 1.00 0.00 H new ATOM 0 HA LYS A 97 11.132 -0.862 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.973 -0.903 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.106 -0.470 -1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.558 1.978 -0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.699 1.401 0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.866 0.160 1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.655 1.086 0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.985 2.673 1.771 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.287 3.061 1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.926 2.424 3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.484 0.857 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.570 2.048 3.839 1.00 0.00 H new ATOM 1586 N MET A 98 8.913 -1.137 -1.268 1.00 0.00 N ATOM 1587 CA MET A 98 7.611 -1.365 -0.652 1.00 0.00 C ATOM 1588 C MET A 98 7.765 -1.694 0.830 1.00 0.00 C ATOM 1589 O MET A 98 8.668 -2.434 1.221 1.00 0.00 O ATOM 1590 CB MET A 98 6.877 -2.504 -1.367 1.00 0.00 C ATOM 1591 CG MET A 98 5.923 -2.033 -2.452 1.00 0.00 C ATOM 1592 SD MET A 98 5.329 -3.386 -3.485 1.00 0.00 S ATOM 1593 CE MET A 98 5.717 -2.761 -5.117 1.00 0.00 C ATOM 0 H MET A 98 9.137 -1.779 -2.028 1.00 0.00 H new ATOM 0 HA MET A 98 7.025 -0.451 -0.746 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.612 -3.176 -1.809 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.318 -3.082 -0.631 1.00 0.00 H new ATOM 0 HG2 MET A 98 5.072 -1.532 -1.990 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.426 -1.296 -3.078 1.00 0.00 H new ATOM 0 HE1 MET A 98 5.408 -3.488 -5.868 1.00 0.00 H new ATOM 0 HE2 MET A 98 5.188 -1.822 -5.282 1.00 0.00 H new ATOM 0 HE3 MET A 98 6.791 -2.592 -5.196 1.00 0.00 H new ATOM 1603 N VAL A 99 6.878 -1.138 1.651 1.00 0.00 N ATOM 1604 CA VAL A 99 6.917 -1.373 3.091 1.00 0.00 C ATOM 1605 C VAL A 99 6.932 -2.865 3.402 1.00 0.00 C ATOM 1606 O VAL A 99 7.805 -3.351 4.120 1.00 0.00 O ATOM 1607 CB VAL A 99 5.712 -0.726 3.803 1.00 0.00 C ATOM 1608 CG1 VAL A 99 5.902 -0.757 5.313 1.00 0.00 C ATOM 1609 CG2 VAL A 99 5.502 0.699 3.310 1.00 0.00 C ATOM 0 H VAL A 99 6.125 -0.523 1.344 1.00 0.00 H new ATOM 0 HA VAL A 99 7.835 -0.915 3.460 1.00 0.00 H new ATOM 0 HB VAL A 99 4.819 -1.303 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.041 -0.296 5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 99 5.996 -1.790 5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.805 -0.207 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.647 1.139 3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.394 1.291 3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.314 0.689 2.236 1.00 0.00 H new