USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 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 30 GLN : amide:sc= -6.64! C(o=-6.6!,f=-8.2!) USER MOD Set 1.2: A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -151:sc=-0.000386 (180deg=-0.431) 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 160:sc= -0.959 USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= -0.712 (180deg=-1.51!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -65:sc= 0.233 USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= 1.26 (180deg=0.312) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0514 USER MOD Single : A 59 SER OG : rot 180:sc= -0.869 USER MOD Single : A 62 THR OG1 : rot 118:sc= 1.13 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= -0.499 (180deg=-0.499) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.0343 (180deg=-0.263) USER MOD Single : A 65 MET CE :methyl -114:sc= -1.44 (180deg=-4.22!) USER MOD Single : A 68 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.24) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -2.14 K(o=-2.1,f=-3.3!) USER MOD Single : A 82 THR OG1 : rot 177:sc= 1.26 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.784 USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= -0.457 (180deg=-1.1!) USER MOD Single : A 98 MET CE :methyl 147:sc= -0.176 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 133 N LYS A 9 2.027 6.635 -12.442 1.00 0.00 N ATOM 134 CA LYS A 9 2.788 6.839 -11.215 1.00 0.00 C ATOM 135 C LYS A 9 2.417 8.164 -10.558 1.00 0.00 C ATOM 136 O LYS A 9 2.587 9.231 -11.149 1.00 0.00 O ATOM 137 CB LYS A 9 4.290 6.804 -11.510 1.00 0.00 C ATOM 138 CG LYS A 9 4.919 5.436 -11.305 1.00 0.00 C ATOM 139 CD LYS A 9 4.414 4.429 -12.328 1.00 0.00 C ATOM 140 CE LYS A 9 3.526 3.377 -11.683 1.00 0.00 C ATOM 141 NZ LYS A 9 3.170 2.289 -12.637 1.00 0.00 N ATOM 0 HA LYS A 9 2.541 6.032 -10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.457 7.121 -12.540 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.795 7.526 -10.868 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.003 5.519 -11.379 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.695 5.078 -10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.857 4.949 -13.107 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.262 3.944 -12.812 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.037 2.950 -10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.615 3.848 -11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.244 1.891 -12.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.126 2.674 -13.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.891 1.541 -12.595 1.00 0.00 H new ATOM 155 N GLU A 10 1.911 8.090 -9.331 1.00 0.00 N ATOM 156 CA GLU A 10 1.518 9.285 -8.594 1.00 0.00 C ATOM 157 C GLU A 10 2.032 9.229 -7.155 1.00 0.00 C ATOM 158 O GLU A 10 1.607 8.383 -6.369 1.00 0.00 O ATOM 159 CB GLU A 10 -0.004 9.435 -8.600 1.00 0.00 C ATOM 160 CG GLU A 10 -0.534 10.184 -9.812 1.00 0.00 C ATOM 161 CD GLU A 10 -0.469 11.688 -9.640 1.00 0.00 C ATOM 162 OE1 GLU A 10 0.650 12.241 -9.671 1.00 0.00 O ATOM 163 OE2 GLU A 10 -1.537 12.315 -9.476 1.00 0.00 O ATOM 0 H GLU A 10 1.764 7.216 -8.827 1.00 0.00 H new ATOM 0 HA GLU A 10 1.962 10.150 -9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.459 8.445 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.313 9.958 -7.695 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.041 9.897 -10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.567 9.887 -9.995 1.00 0.00 H new ATOM 170 N PRO A 11 2.962 10.133 -6.790 1.00 0.00 N ATOM 171 CA PRO A 11 3.534 10.179 -5.446 1.00 0.00 C ATOM 172 C PRO A 11 2.686 10.997 -4.480 1.00 0.00 C ATOM 173 O PRO A 11 2.045 11.972 -4.871 1.00 0.00 O ATOM 174 CB PRO A 11 4.878 10.858 -5.684 1.00 0.00 C ATOM 175 CG PRO A 11 4.631 11.792 -6.822 1.00 0.00 C ATOM 176 CD PRO A 11 3.534 11.178 -7.659 1.00 0.00 C ATOM 0 HA PRO A 11 3.603 9.192 -4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.214 11.394 -4.797 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.652 10.131 -5.929 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.335 12.776 -6.458 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.537 11.930 -7.413 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.784 11.918 -7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.927 10.756 -8.584 1.00 0.00 H new ATOM 184 N ALA A 12 2.691 10.593 -3.215 1.00 0.00 N ATOM 185 CA ALA A 12 1.925 11.287 -2.188 1.00 0.00 C ATOM 186 C ALA A 12 2.365 10.848 -0.797 1.00 0.00 C ATOM 187 O ALA A 12 3.003 9.808 -0.638 1.00 0.00 O ATOM 188 CB ALA A 12 0.438 11.037 -2.378 1.00 0.00 C ATOM 0 H ALA A 12 3.218 9.788 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 12 2.114 12.356 -2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.121 11.562 -1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.130 11.402 -3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.237 9.968 -2.309 1.00 0.00 H new ATOM 194 N THR A 13 2.024 11.645 0.209 1.00 0.00 N ATOM 195 CA THR A 13 2.393 11.329 1.584 1.00 0.00 C ATOM 196 C THR A 13 1.197 10.807 2.371 1.00 0.00 C ATOM 197 O THR A 13 0.283 11.561 2.708 1.00 0.00 O ATOM 198 CB THR A 13 2.970 12.566 2.275 1.00 0.00 C ATOM 199 OG1 THR A 13 3.712 13.351 1.359 1.00 0.00 O ATOM 200 CG2 THR A 13 3.880 12.232 3.437 1.00 0.00 C ATOM 0 H THR A 13 1.495 12.510 0.100 1.00 0.00 H new ATOM 0 HA THR A 13 3.151 10.546 1.555 1.00 0.00 H new ATOM 0 HB THR A 13 2.108 13.113 2.656 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.071 14.138 1.819 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.255 13.154 3.882 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.323 11.668 4.185 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.719 11.633 3.082 1.00 0.00 H new ATOM 208 N LEU A 14 1.215 9.512 2.669 1.00 0.00 N ATOM 209 CA LEU A 14 0.143 8.886 3.423 1.00 0.00 C ATOM 210 C LEU A 14 0.090 9.446 4.839 1.00 0.00 C ATOM 211 O LEU A 14 1.117 9.561 5.508 1.00 0.00 O ATOM 212 CB LEU A 14 0.334 7.366 3.456 1.00 0.00 C ATOM 213 CG LEU A 14 1.394 6.860 4.434 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.784 6.648 5.811 1.00 0.00 C ATOM 215 CD2 LEU A 14 2.023 5.573 3.920 1.00 0.00 C ATOM 0 H LEU A 14 1.965 8.876 2.397 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.803 9.107 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.620 6.902 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.598 7.028 2.454 1.00 0.00 H new ATOM 0 HG LEU A 14 2.178 7.613 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.551 6.288 6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.382 7.591 6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.018 5.913 5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.775 5.227 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.252 4.811 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.493 5.758 2.954 1.00 0.00 H new ATOM 227 N ILE A 15 -1.108 9.792 5.292 1.00 0.00 N ATOM 228 CA ILE A 15 -1.277 10.338 6.629 1.00 0.00 C ATOM 229 C ILE A 15 -1.147 9.239 7.671 1.00 0.00 C ATOM 230 O ILE A 15 -0.511 9.427 8.707 1.00 0.00 O ATOM 231 CB ILE A 15 -2.641 11.039 6.798 1.00 0.00 C ATOM 232 CG1 ILE A 15 -3.791 10.051 6.583 1.00 0.00 C ATOM 233 CG2 ILE A 15 -2.756 12.209 5.833 1.00 0.00 C ATOM 234 CD1 ILE A 15 -4.159 9.270 7.827 1.00 0.00 C ATOM 0 H ILE A 15 -1.971 9.704 4.756 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.491 11.080 6.772 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.707 11.420 7.817 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.668 10.597 6.234 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.516 9.352 5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.723 12.694 5.963 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.960 12.926 6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.667 11.846 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.980 8.590 7.600 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.296 8.696 8.165 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.466 9.960 8.613 1.00 0.00 H new ATOM 246 N LYS A 16 -1.750 8.087 7.389 1.00 0.00 N ATOM 247 CA LYS A 16 -1.689 6.956 8.313 1.00 0.00 C ATOM 248 C LYS A 16 -2.462 5.756 7.782 1.00 0.00 C ATOM 249 O LYS A 16 -3.187 5.856 6.792 1.00 0.00 O ATOM 250 CB LYS A 16 -2.232 7.348 9.694 1.00 0.00 C ATOM 251 CG LYS A 16 -1.150 7.720 10.697 1.00 0.00 C ATOM 252 CD LYS A 16 -1.440 9.055 11.364 1.00 0.00 C ATOM 253 CE LYS A 16 -0.270 9.516 12.217 1.00 0.00 C ATOM 254 NZ LYS A 16 -0.384 9.035 13.622 1.00 0.00 N ATOM 0 H LYS A 16 -2.282 7.912 6.537 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.640 6.676 8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.914 8.191 9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.815 6.518 10.094 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.074 6.942 11.457 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.185 7.767 10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.654 9.805 10.602 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.332 8.967 11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.661 9.152 11.783 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.221 10.605 12.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.433 9.371 14.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.260 9.403 14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.405 7.995 13.632 1.00 0.00 H new ATOM 268 N ALA A 17 -2.304 4.623 8.458 1.00 0.00 N ATOM 269 CA ALA A 17 -2.990 3.397 8.072 1.00 0.00 C ATOM 270 C ALA A 17 -4.308 3.256 8.824 1.00 0.00 C ATOM 271 O ALA A 17 -4.435 3.706 9.963 1.00 0.00 O ATOM 272 CB ALA A 17 -2.100 2.191 8.328 1.00 0.00 C ATOM 0 H ALA A 17 -1.705 4.529 9.278 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.210 3.448 7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.626 1.282 8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.184 2.284 7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.852 2.141 9.388 1.00 0.00 H new ATOM 278 N ILE A 18 -5.289 2.637 8.179 1.00 0.00 N ATOM 279 CA ILE A 18 -6.600 2.447 8.785 1.00 0.00 C ATOM 280 C ILE A 18 -6.815 0.993 9.204 1.00 0.00 C ATOM 281 O ILE A 18 -6.777 0.669 10.392 1.00 0.00 O ATOM 282 CB ILE A 18 -7.724 2.879 7.819 1.00 0.00 C ATOM 283 CG1 ILE A 18 -7.603 4.370 7.502 1.00 0.00 C ATOM 284 CG2 ILE A 18 -9.095 2.570 8.409 1.00 0.00 C ATOM 285 CD1 ILE A 18 -8.269 4.767 6.202 1.00 0.00 C ATOM 0 H ILE A 18 -5.201 2.258 7.236 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.636 3.075 9.675 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.618 2.313 6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.044 4.944 8.317 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.548 4.639 7.457 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.871 2.883 7.710 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.180 1.498 8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.216 3.107 9.350 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.144 5.838 6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.812 4.220 5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.332 4.529 6.250 1.00 0.00 H new ATOM 297 N ASP A 19 -7.046 0.121 8.227 1.00 0.00 N ATOM 298 CA ASP A 19 -7.274 -1.294 8.504 1.00 0.00 C ATOM 299 C ASP A 19 -6.200 -2.166 7.858 1.00 0.00 C ATOM 300 O ASP A 19 -6.498 -3.218 7.291 1.00 0.00 O ATOM 301 CB ASP A 19 -8.659 -1.714 8.004 1.00 0.00 C ATOM 302 CG ASP A 19 -9.027 -3.120 8.433 1.00 0.00 C ATOM 303 OD1 ASP A 19 -8.903 -3.425 9.638 1.00 0.00 O ATOM 304 OD2 ASP A 19 -9.441 -3.917 7.565 1.00 0.00 O ATOM 0 H ASP A 19 -7.080 0.368 7.238 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.222 -1.436 9.583 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.406 -1.015 8.381 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.684 -1.651 6.916 1.00 0.00 H new ATOM 309 N GLY A 20 -4.951 -1.722 7.945 1.00 0.00 N ATOM 310 CA GLY A 20 -3.855 -2.478 7.362 1.00 0.00 C ATOM 311 C GLY A 20 -3.672 -2.184 5.887 1.00 0.00 C ATOM 312 O GLY A 20 -2.595 -1.772 5.458 1.00 0.00 O ATOM 0 H GLY A 20 -4.677 -0.855 8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.933 -2.244 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.040 -3.544 7.497 1.00 0.00 H new ATOM 316 N ASP A 21 -4.730 -2.390 5.110 1.00 0.00 N ATOM 317 CA ASP A 21 -4.686 -2.138 3.676 1.00 0.00 C ATOM 318 C ASP A 21 -5.254 -0.760 3.362 1.00 0.00 C ATOM 319 O ASP A 21 -4.817 -0.097 2.423 1.00 0.00 O ATOM 320 CB ASP A 21 -5.470 -3.213 2.921 1.00 0.00 C ATOM 321 CG ASP A 21 -4.695 -4.511 2.792 1.00 0.00 C ATOM 322 OD1 ASP A 21 -4.150 -4.981 3.812 1.00 0.00 O ATOM 323 OD2 ASP A 21 -4.633 -5.055 1.669 1.00 0.00 O ATOM 0 H ASP A 21 -5.629 -2.731 5.451 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.646 -2.171 3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.410 -3.404 3.439 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.723 -2.844 1.927 1.00 0.00 H new ATOM 328 N THR A 22 -6.226 -0.334 4.163 1.00 0.00 N ATOM 329 CA THR A 22 -6.852 0.969 3.980 1.00 0.00 C ATOM 330 C THR A 22 -5.947 2.077 4.509 1.00 0.00 C ATOM 331 O THR A 22 -5.750 2.207 5.715 1.00 0.00 O ATOM 332 CB THR A 22 -8.204 1.016 4.694 1.00 0.00 C ATOM 333 OG1 THR A 22 -8.172 0.243 5.880 1.00 0.00 O ATOM 334 CG2 THR A 22 -9.346 0.506 3.842 1.00 0.00 C ATOM 0 H THR A 22 -6.597 -0.873 4.945 1.00 0.00 H new ATOM 0 HA THR A 22 -7.010 1.125 2.913 1.00 0.00 H new ATOM 0 HB THR A 22 -8.379 2.069 4.915 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.897 0.527 6.475 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.276 0.566 4.407 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.428 1.115 2.942 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.157 -0.531 3.563 1.00 0.00 H new ATOM 342 N VAL A 23 -5.394 2.869 3.598 1.00 0.00 N ATOM 343 CA VAL A 23 -4.505 3.962 3.974 1.00 0.00 C ATOM 344 C VAL A 23 -4.898 5.250 3.263 1.00 0.00 C ATOM 345 O VAL A 23 -5.515 5.216 2.204 1.00 0.00 O ATOM 346 CB VAL A 23 -3.040 3.633 3.632 1.00 0.00 C ATOM 347 CG1 VAL A 23 -2.584 2.389 4.379 1.00 0.00 C ATOM 348 CG2 VAL A 23 -2.868 3.457 2.129 1.00 0.00 C ATOM 0 H VAL A 23 -5.545 2.775 2.594 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.600 4.096 5.052 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.415 4.468 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.547 2.172 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.667 2.558 5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.211 1.544 4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.826 3.225 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.503 2.642 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.151 4.378 1.620 1.00 0.00 H new ATOM 358 N LYS A 24 -4.536 6.385 3.844 1.00 0.00 N ATOM 359 CA LYS A 24 -4.856 7.674 3.241 1.00 0.00 C ATOM 360 C LYS A 24 -3.591 8.466 2.919 1.00 0.00 C ATOM 361 O LYS A 24 -2.683 8.564 3.742 1.00 0.00 O ATOM 362 CB LYS A 24 -5.749 8.499 4.170 1.00 0.00 C ATOM 363 CG LYS A 24 -5.686 9.993 3.891 1.00 0.00 C ATOM 364 CD LYS A 24 -6.922 10.716 4.405 1.00 0.00 C ATOM 365 CE LYS A 24 -7.119 10.504 5.898 1.00 0.00 C ATOM 366 NZ LYS A 24 -6.742 11.710 6.685 1.00 0.00 N ATOM 0 H LYS A 24 -4.025 6.442 4.725 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.389 7.474 2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.780 8.160 4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.454 8.316 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.797 10.413 4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.588 10.159 2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.832 11.782 4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.801 10.360 3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.161 10.254 6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.520 9.655 6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.464 11.425 7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.944 12.191 6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.554 12.358 6.737 1.00 0.00 H new ATOM 380 N LEU A 25 -3.560 9.050 1.726 1.00 0.00 N ATOM 381 CA LEU A 25 -2.430 9.867 1.290 1.00 0.00 C ATOM 382 C LEU A 25 -2.898 11.077 0.487 1.00 0.00 C ATOM 383 O LEU A 25 -3.886 11.003 -0.242 1.00 0.00 O ATOM 384 CB LEU A 25 -1.425 9.035 0.477 1.00 0.00 C ATOM 385 CG LEU A 25 -1.957 8.365 -0.787 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.306 9.392 -1.854 1.00 0.00 C ATOM 387 CD2 LEU A 25 -0.939 7.369 -1.323 1.00 0.00 C ATOM 0 H LEU A 25 -4.309 8.973 1.038 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.926 10.231 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.595 9.683 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.018 8.261 1.128 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.871 7.832 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.682 8.882 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.072 10.068 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.415 9.963 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.331 6.898 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.011 7.889 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.745 6.605 -0.570 1.00 0.00 H new ATOM 399 N MET A 26 -2.173 12.187 0.623 1.00 0.00 N ATOM 400 CA MET A 26 -2.505 13.416 -0.095 1.00 0.00 C ATOM 401 C MET A 26 -2.170 13.258 -1.573 1.00 0.00 C ATOM 402 O MET A 26 -1.009 13.335 -1.972 1.00 0.00 O ATOM 403 CB MET A 26 -1.733 14.599 0.492 1.00 0.00 C ATOM 404 CG MET A 26 -2.263 15.953 0.047 1.00 0.00 C ATOM 405 SD MET A 26 -1.409 17.329 0.839 1.00 0.00 S ATOM 406 CE MET A 26 -2.738 18.046 1.802 1.00 0.00 C ATOM 0 H MET A 26 -1.352 12.260 1.224 1.00 0.00 H new ATOM 0 HA MET A 26 -3.573 13.608 0.012 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.771 14.543 1.580 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.685 14.516 0.205 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.160 16.041 -1.035 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.328 16.014 0.272 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.364 18.911 2.350 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.542 18.358 1.136 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.117 17.306 2.507 1.00 0.00 H new ATOM 416 N TYR A 27 -3.198 13.015 -2.375 1.00 0.00 N ATOM 417 CA TYR A 27 -3.026 12.818 -3.808 1.00 0.00 C ATOM 418 C TYR A 27 -3.095 14.139 -4.571 1.00 0.00 C ATOM 419 O TYR A 27 -4.159 14.742 -4.695 1.00 0.00 O ATOM 420 CB TYR A 27 -4.094 11.847 -4.316 1.00 0.00 C ATOM 421 CG TYR A 27 -4.115 11.678 -5.818 1.00 0.00 C ATOM 422 CD1 TYR A 27 -3.260 10.785 -6.448 1.00 0.00 C ATOM 423 CD2 TYR A 27 -4.994 12.412 -6.603 1.00 0.00 C ATOM 424 CE1 TYR A 27 -3.279 10.626 -7.820 1.00 0.00 C ATOM 425 CE2 TYR A 27 -5.021 12.261 -7.975 1.00 0.00 C ATOM 426 CZ TYR A 27 -4.161 11.366 -8.579 1.00 0.00 C ATOM 427 OH TYR A 27 -4.184 11.213 -9.947 1.00 0.00 O ATOM 0 H TYR A 27 -4.164 12.949 -2.055 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.036 12.397 -3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.932 10.873 -3.854 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.073 12.197 -3.987 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.568 10.205 -5.856 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.668 13.113 -6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.607 9.927 -8.295 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.711 12.839 -8.572 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.331 11.513 -10.324 1.00 0.00 H new ATOM 437 N LYS A 28 -1.945 14.576 -5.085 1.00 0.00 N ATOM 438 CA LYS A 28 -1.858 15.821 -5.847 1.00 0.00 C ATOM 439 C LYS A 28 -2.537 16.977 -5.119 1.00 0.00 C ATOM 440 O LYS A 28 -3.009 17.925 -5.746 1.00 0.00 O ATOM 441 CB LYS A 28 -2.486 15.636 -7.230 1.00 0.00 C ATOM 442 CG LYS A 28 -1.713 16.317 -8.346 1.00 0.00 C ATOM 443 CD LYS A 28 -0.699 15.377 -8.977 1.00 0.00 C ATOM 444 CE LYS A 28 0.711 15.667 -8.488 1.00 0.00 C ATOM 445 NZ LYS A 28 1.515 14.422 -8.336 1.00 0.00 N ATOM 0 H LYS A 28 -1.057 14.083 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.802 16.069 -5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.558 14.570 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.503 16.027 -7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.408 16.669 -9.109 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.201 17.195 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.962 14.346 -8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.736 15.475 -10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.208 16.336 -9.190 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.663 16.187 -7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.527 14.652 -8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.319 13.993 -7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.261 13.751 -9.089 1.00 0.00 H new ATOM 459 N GLY A 29 -2.580 16.896 -3.795 1.00 0.00 N ATOM 460 CA GLY A 29 -3.205 17.942 -3.006 1.00 0.00 C ATOM 461 C GLY A 29 -4.576 17.543 -2.489 1.00 0.00 C ATOM 462 O GLY A 29 -5.111 18.180 -1.582 1.00 0.00 O ATOM 0 H GLY A 29 -2.193 16.124 -3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.561 18.190 -2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.297 18.843 -3.612 1.00 0.00 H new ATOM 466 N GLN A 30 -5.137 16.472 -3.048 1.00 0.00 N ATOM 467 CA GLN A 30 -6.440 15.981 -2.610 1.00 0.00 C ATOM 468 C GLN A 30 -6.295 14.580 -2.028 1.00 0.00 C ATOM 469 O GLN A 30 -6.236 13.598 -2.768 1.00 0.00 O ATOM 470 CB GLN A 30 -7.444 15.947 -3.771 1.00 0.00 C ATOM 471 CG GLN A 30 -7.198 16.990 -4.852 1.00 0.00 C ATOM 472 CD GLN A 30 -6.087 16.601 -5.808 1.00 0.00 C ATOM 473 OE1 GLN A 30 -5.256 17.428 -6.173 1.00 0.00 O ATOM 474 NE2 GLN A 30 -6.076 15.343 -6.231 1.00 0.00 N ATOM 0 H GLN A 30 -4.712 15.931 -3.801 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.817 16.664 -1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.419 14.957 -4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.448 16.088 -3.370 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.118 17.145 -5.416 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.949 17.941 -4.382 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.786 14.688 -5.902 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.358 15.031 -6.885 1.00 0.00 H new ATOM 483 N PRO A 31 -6.221 14.461 -0.693 1.00 0.00 N ATOM 484 CA PRO A 31 -6.063 13.166 -0.029 1.00 0.00 C ATOM 485 C PRO A 31 -7.198 12.201 -0.340 1.00 0.00 C ATOM 486 O PRO A 31 -8.349 12.600 -0.517 1.00 0.00 O ATOM 487 CB PRO A 31 -6.046 13.516 1.463 1.00 0.00 C ATOM 488 CG PRO A 31 -5.677 14.958 1.514 1.00 0.00 C ATOM 489 CD PRO A 31 -6.254 15.571 0.273 1.00 0.00 C ATOM 0 HA PRO A 31 -5.162 12.654 -0.366 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.019 13.341 1.921 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.324 12.904 2.004 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.080 15.433 2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.595 15.084 1.546 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.269 15.933 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.663 16.421 -0.069 1.00 0.00 H new ATOM 497 N MET A 32 -6.847 10.925 -0.412 1.00 0.00 N ATOM 498 CA MET A 32 -7.798 9.864 -0.709 1.00 0.00 C ATOM 499 C MET A 32 -7.430 8.603 0.063 1.00 0.00 C ATOM 500 O MET A 32 -6.301 8.462 0.525 1.00 0.00 O ATOM 501 CB MET A 32 -7.797 9.566 -2.210 1.00 0.00 C ATOM 502 CG MET A 32 -8.054 10.788 -3.077 1.00 0.00 C ATOM 503 SD MET A 32 -7.753 10.475 -4.826 1.00 0.00 S ATOM 504 CE MET A 32 -8.380 11.987 -5.554 1.00 0.00 C ATOM 0 H MET A 32 -5.893 10.596 -0.266 1.00 0.00 H new ATOM 0 HA MET A 32 -8.794 10.190 -0.409 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.835 9.133 -2.485 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.557 8.815 -2.423 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.086 11.113 -2.943 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.416 11.606 -2.743 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.263 11.945 -6.637 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.436 12.099 -5.307 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.823 12.838 -5.162 1.00 0.00 H new ATOM 514 N THR A 33 -8.374 7.684 0.193 1.00 0.00 N ATOM 515 CA THR A 33 -8.109 6.437 0.893 1.00 0.00 C ATOM 516 C THR A 33 -7.606 5.401 -0.106 1.00 0.00 C ATOM 517 O THR A 33 -7.868 5.511 -1.303 1.00 0.00 O ATOM 518 CB THR A 33 -9.361 5.933 1.609 1.00 0.00 C ATOM 519 OG1 THR A 33 -10.503 6.665 1.200 1.00 0.00 O ATOM 520 CG2 THR A 33 -9.267 6.037 3.117 1.00 0.00 C ATOM 0 H THR A 33 -9.322 7.776 -0.173 1.00 0.00 H new ATOM 0 HA THR A 33 -7.346 6.610 1.652 1.00 0.00 H new ATOM 0 HB THR A 33 -9.448 4.882 1.335 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.294 6.326 1.669 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.187 5.663 3.566 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.424 5.444 3.471 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.122 7.079 3.401 1.00 0.00 H new ATOM 528 N PHE A 34 -6.874 4.406 0.376 1.00 0.00 N ATOM 529 CA PHE A 34 -6.335 3.377 -0.488 1.00 0.00 C ATOM 530 C PHE A 34 -6.370 2.016 0.189 1.00 0.00 C ATOM 531 O PHE A 34 -5.788 1.829 1.255 1.00 0.00 O ATOM 532 CB PHE A 34 -4.906 3.717 -0.906 1.00 0.00 C ATOM 533 CG PHE A 34 -4.775 5.069 -1.543 1.00 0.00 C ATOM 534 CD1 PHE A 34 -4.806 6.218 -0.770 1.00 0.00 C ATOM 535 CD2 PHE A 34 -4.616 5.193 -2.914 1.00 0.00 C ATOM 536 CE1 PHE A 34 -4.682 7.460 -1.352 1.00 0.00 C ATOM 537 CE2 PHE A 34 -4.487 6.439 -3.499 1.00 0.00 C ATOM 538 CZ PHE A 34 -4.520 7.574 -2.711 1.00 0.00 C ATOM 0 H PHE A 34 -6.642 4.294 1.363 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.962 3.333 -1.379 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.259 3.673 -0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.550 2.959 -1.604 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.929 6.139 0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.593 4.307 -3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.712 8.348 -0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.361 6.525 -4.568 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.419 8.549 -3.163 1.00 0.00 H new ATOM 548 N ARG A 35 -7.047 1.071 -0.439 1.00 0.00 N ATOM 549 CA ARG A 35 -7.151 -0.274 0.094 1.00 0.00 C ATOM 550 C ARG A 35 -6.697 -1.286 -0.948 1.00 0.00 C ATOM 551 O ARG A 35 -7.459 -1.664 -1.837 1.00 0.00 O ATOM 552 CB ARG A 35 -8.593 -0.551 0.506 1.00 0.00 C ATOM 553 CG ARG A 35 -8.867 -2.000 0.888 1.00 0.00 C ATOM 554 CD ARG A 35 -10.358 -2.301 0.899 1.00 0.00 C ATOM 555 NE ARG A 35 -10.723 -3.287 -0.116 1.00 0.00 N ATOM 556 CZ ARG A 35 -10.517 -4.596 0.016 1.00 0.00 C ATOM 557 NH1 ARG A 35 -9.953 -5.079 1.117 1.00 0.00 N ATOM 558 NH2 ARG A 35 -10.877 -5.424 -0.956 1.00 0.00 N ATOM 0 H ARG A 35 -7.535 1.212 -1.323 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.507 -0.364 0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.847 0.090 1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.253 -0.273 -0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.366 -2.664 0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.446 -2.204 1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.647 -2.670 1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.915 -1.380 0.727 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.161 -2.953 -0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.675 -4.446 1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.798 -6.083 1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.311 -5.058 -1.803 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.720 -6.427 -0.856 1.00 0.00 H new ATOM 572 N LEU A 36 -5.450 -1.716 -0.834 1.00 0.00 N ATOM 573 CA LEU A 36 -4.890 -2.680 -1.768 1.00 0.00 C ATOM 574 C LEU A 36 -3.459 -3.024 -1.390 1.00 0.00 C ATOM 575 O LEU A 36 -2.811 -2.295 -0.641 1.00 0.00 O ATOM 576 CB LEU A 36 -4.942 -2.136 -3.198 1.00 0.00 C ATOM 577 CG LEU A 36 -5.554 -3.090 -4.229 1.00 0.00 C ATOM 578 CD1 LEU A 36 -6.941 -2.619 -4.637 1.00 0.00 C ATOM 579 CD2 LEU A 36 -4.652 -3.211 -5.448 1.00 0.00 C ATOM 0 H LEU A 36 -4.806 -1.412 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.490 -3.589 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.515 -1.209 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.929 -1.885 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.647 -4.075 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.359 -3.309 -5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.587 -2.586 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.873 -1.623 -5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.104 -3.893 -6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.526 -2.230 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.679 -3.597 -5.144 1.00 0.00 H new ATOM 900 N PRO A 56 1.572 -3.842 12.952 1.00 0.00 N ATOM 901 CA PRO A 56 2.685 -2.935 13.245 1.00 0.00 C ATOM 902 C PRO A 56 3.641 -2.791 12.064 1.00 0.00 C ATOM 903 O PRO A 56 4.381 -1.813 11.968 1.00 0.00 O ATOM 904 CB PRO A 56 3.397 -3.604 14.426 1.00 0.00 C ATOM 905 CG PRO A 56 2.361 -4.473 15.053 1.00 0.00 C ATOM 906 CD PRO A 56 1.487 -4.944 13.927 1.00 0.00 C ATOM 0 HA PRO A 56 2.337 -1.925 13.459 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.254 -4.189 14.091 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.772 -2.864 15.132 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.819 -5.315 15.572 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.782 -3.920 15.793 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.845 -5.883 13.505 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.462 -5.112 14.256 1.00 0.00 H new ATOM 914 N GLU A 57 3.628 -3.773 11.172 1.00 0.00 N ATOM 915 CA GLU A 57 4.502 -3.750 10.005 1.00 0.00 C ATOM 916 C GLU A 57 3.798 -3.159 8.787 1.00 0.00 C ATOM 917 O GLU A 57 4.427 -2.518 7.947 1.00 0.00 O ATOM 918 CB GLU A 57 4.995 -5.163 9.686 1.00 0.00 C ATOM 919 CG GLU A 57 5.826 -5.785 10.798 1.00 0.00 C ATOM 920 CD GLU A 57 6.952 -4.882 11.265 1.00 0.00 C ATOM 921 OE1 GLU A 57 7.382 -4.013 10.478 1.00 0.00 O ATOM 922 OE2 GLU A 57 7.403 -5.043 12.419 1.00 0.00 O ATOM 0 H GLU A 57 3.024 -4.593 11.233 1.00 0.00 H new ATOM 0 HA GLU A 57 5.354 -3.113 10.243 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.135 -5.802 9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.590 -5.134 8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.178 -6.017 11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.244 -6.729 10.448 1.00 0.00 H new ATOM 929 N ALA A 58 2.494 -3.386 8.685 1.00 0.00 N ATOM 930 CA ALA A 58 1.721 -2.880 7.562 1.00 0.00 C ATOM 931 C ALA A 58 1.135 -1.506 7.855 1.00 0.00 C ATOM 932 O ALA A 58 1.237 -0.591 7.039 1.00 0.00 O ATOM 933 CB ALA A 58 0.617 -3.861 7.197 1.00 0.00 C ATOM 0 H ALA A 58 1.952 -3.917 9.367 1.00 0.00 H new ATOM 0 HA ALA A 58 2.398 -2.775 6.714 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.046 -3.470 6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.058 -4.819 6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.045 -3.998 8.052 1.00 0.00 H new ATOM 939 N SER A 59 0.506 -1.373 9.016 1.00 0.00 N ATOM 940 CA SER A 59 -0.114 -0.114 9.408 1.00 0.00 C ATOM 941 C SER A 59 0.874 0.807 10.115 1.00 0.00 C ATOM 942 O SER A 59 1.146 1.911 9.647 1.00 0.00 O ATOM 943 CB SER A 59 -1.317 -0.380 10.315 1.00 0.00 C ATOM 944 OG SER A 59 -2.441 -0.804 9.562 1.00 0.00 O ATOM 0 H SER A 59 0.412 -2.122 9.702 1.00 0.00 H new ATOM 0 HA SER A 59 -0.446 0.387 8.499 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.060 -1.142 11.051 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.567 0.526 10.868 1.00 0.00 H new ATOM 0 HG SER A 59 -3.196 -0.969 10.165 1.00 0.00 H new ATOM 950 N ALA A 60 1.400 0.359 11.251 1.00 0.00 N ATOM 951 CA ALA A 60 2.342 1.164 12.019 1.00 0.00 C ATOM 952 C ALA A 60 3.580 1.514 11.200 1.00 0.00 C ATOM 953 O ALA A 60 4.108 2.619 11.312 1.00 0.00 O ATOM 954 CB ALA A 60 2.733 0.452 13.304 1.00 0.00 C ATOM 0 H ALA A 60 1.191 -0.553 11.658 1.00 0.00 H new ATOM 0 HA ALA A 60 1.843 2.098 12.277 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.437 1.069 13.862 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.843 0.278 13.909 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.200 -0.503 13.063 1.00 0.00 H new ATOM 960 N PHE A 61 4.039 0.578 10.372 1.00 0.00 N ATOM 961 CA PHE A 61 5.213 0.823 9.542 1.00 0.00 C ATOM 962 C PHE A 61 4.852 1.694 8.344 1.00 0.00 C ATOM 963 O PHE A 61 5.700 2.394 7.792 1.00 0.00 O ATOM 964 CB PHE A 61 5.812 -0.499 9.062 1.00 0.00 C ATOM 965 CG PHE A 61 7.308 -0.556 9.172 1.00 0.00 C ATOM 966 CD1 PHE A 61 7.922 -0.653 10.410 1.00 0.00 C ATOM 967 CD2 PHE A 61 8.100 -0.515 8.036 1.00 0.00 C ATOM 968 CE1 PHE A 61 9.299 -0.707 10.514 1.00 0.00 C ATOM 969 CE2 PHE A 61 9.477 -0.568 8.133 1.00 0.00 C ATOM 970 CZ PHE A 61 10.077 -0.664 9.372 1.00 0.00 C ATOM 0 H PHE A 61 3.621 -0.346 10.259 1.00 0.00 H new ATOM 0 HA PHE A 61 5.953 1.348 10.146 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.382 -1.315 9.643 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.526 -0.662 8.023 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.318 -0.687 11.304 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.636 -0.441 7.064 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.766 -0.783 11.485 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.083 -0.534 7.240 1.00 0.00 H new ATOM 0 HZ PHE A 61 11.153 -0.706 9.449 1.00 0.00 H new ATOM 980 N THR A 62 3.584 1.641 7.947 1.00 0.00 N ATOM 981 CA THR A 62 3.103 2.419 6.813 1.00 0.00 C ATOM 982 C THR A 62 3.345 3.918 7.034 1.00 0.00 C ATOM 983 O THR A 62 4.142 4.530 6.324 1.00 0.00 O ATOM 984 CB THR A 62 1.614 2.103 6.571 1.00 0.00 C ATOM 985 OG1 THR A 62 1.469 1.265 5.439 1.00 0.00 O ATOM 986 CG2 THR A 62 0.735 3.317 6.344 1.00 0.00 C ATOM 0 H THR A 62 2.871 1.066 8.396 1.00 0.00 H new ATOM 0 HA THR A 62 3.661 2.141 5.919 1.00 0.00 H new ATOM 0 HB THR A 62 1.284 1.622 7.492 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.066 0.414 5.711 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.294 2.996 6.183 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.780 3.967 7.218 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.086 3.862 5.468 1.00 0.00 H new ATOM 994 N LYS A 63 2.664 4.505 8.018 1.00 0.00 N ATOM 995 CA LYS A 63 2.826 5.926 8.313 1.00 0.00 C ATOM 996 C LYS A 63 4.219 6.231 8.862 1.00 0.00 C ATOM 997 O LYS A 63 4.760 7.312 8.634 1.00 0.00 O ATOM 998 CB LYS A 63 1.768 6.378 9.319 1.00 0.00 C ATOM 999 CG LYS A 63 1.756 5.559 10.600 1.00 0.00 C ATOM 1000 CD LYS A 63 0.470 4.759 10.740 1.00 0.00 C ATOM 1001 CE LYS A 63 0.316 4.196 12.143 1.00 0.00 C ATOM 1002 NZ LYS A 63 -0.529 5.070 13.001 1.00 0.00 N ATOM 0 H LYS A 63 1.999 4.021 8.621 1.00 0.00 H new ATOM 0 HA LYS A 63 2.702 6.473 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.940 7.425 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.785 6.319 8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.610 4.881 10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.868 6.222 11.458 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.383 5.396 10.506 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.467 3.943 10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.128 3.202 12.089 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.300 4.082 12.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.610 4.652 13.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.093 6.011 13.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.476 5.159 12.580 1.00 0.00 H new ATOM 1016 N LYS A 64 4.792 5.279 9.592 1.00 0.00 N ATOM 1017 CA LYS A 64 6.116 5.460 10.177 1.00 0.00 C ATOM 1018 C LYS A 64 7.187 5.590 9.097 1.00 0.00 C ATOM 1019 O LYS A 64 7.968 6.541 9.097 1.00 0.00 O ATOM 1020 CB LYS A 64 6.453 4.294 11.107 1.00 0.00 C ATOM 1021 CG LYS A 64 5.850 4.431 12.495 1.00 0.00 C ATOM 1022 CD LYS A 64 6.247 3.271 13.394 1.00 0.00 C ATOM 1023 CE LYS A 64 5.977 3.583 14.857 1.00 0.00 C ATOM 1024 NZ LYS A 64 6.894 4.633 15.381 1.00 0.00 N ATOM 0 H LYS A 64 4.361 4.376 9.792 1.00 0.00 H new ATOM 0 HA LYS A 64 6.099 6.385 10.754 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.100 3.367 10.656 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.536 4.213 11.197 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.178 5.369 12.944 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.764 4.477 12.418 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.694 2.378 13.103 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.305 3.049 13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.944 3.912 14.973 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.090 2.674 15.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.896 4.605 16.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.857 4.460 15.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.570 5.568 15.060 1.00 0.00 H new ATOM 1038 N MET A 65 7.221 4.627 8.183 1.00 0.00 N ATOM 1039 CA MET A 65 8.201 4.634 7.101 1.00 0.00 C ATOM 1040 C MET A 65 8.147 5.941 6.315 1.00 0.00 C ATOM 1041 O MET A 65 9.147 6.372 5.741 1.00 0.00 O ATOM 1042 CB MET A 65 7.964 3.450 6.162 1.00 0.00 C ATOM 1043 CG MET A 65 8.541 2.141 6.674 1.00 0.00 C ATOM 1044 SD MET A 65 10.341 2.175 6.791 1.00 0.00 S ATOM 1045 CE MET A 65 10.560 2.694 8.491 1.00 0.00 C ATOM 0 H MET A 65 6.582 3.832 8.169 1.00 0.00 H new ATOM 0 HA MET A 65 9.192 4.545 7.547 1.00 0.00 H new ATOM 0 HB2 MET A 65 6.892 3.329 6.008 1.00 0.00 H new ATOM 0 HB3 MET A 65 8.403 3.675 5.190 1.00 0.00 H new ATOM 0 HG2 MET A 65 8.121 1.922 7.656 1.00 0.00 H new ATOM 0 HG3 MET A 65 8.239 1.331 6.010 1.00 0.00 H new ATOM 0 HE1 MET A 65 11.020 3.682 8.513 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.590 2.734 8.987 1.00 0.00 H new ATOM 0 HE3 MET A 65 11.203 1.982 9.009 1.00 0.00 H new ATOM 1055 N VAL A 66 6.975 6.568 6.292 1.00 0.00 N ATOM 1056 CA VAL A 66 6.794 7.824 5.575 1.00 0.00 C ATOM 1057 C VAL A 66 7.341 9.000 6.378 1.00 0.00 C ATOM 1058 O VAL A 66 7.944 9.918 5.821 1.00 0.00 O ATOM 1059 CB VAL A 66 5.310 8.082 5.256 1.00 0.00 C ATOM 1060 CG1 VAL A 66 5.163 9.270 4.317 1.00 0.00 C ATOM 1061 CG2 VAL A 66 4.665 6.836 4.664 1.00 0.00 C ATOM 0 H VAL A 66 6.137 6.226 6.762 1.00 0.00 H new ATOM 0 HA VAL A 66 7.348 7.736 4.641 1.00 0.00 H new ATOM 0 HB VAL A 66 4.794 8.321 6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.107 9.436 4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.583 10.159 4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.694 9.066 3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.616 7.038 4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.181 6.561 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.735 6.016 5.378 1.00 0.00 H new ATOM 1071 N GLU A 67 7.123 8.968 7.688 1.00 0.00 N ATOM 1072 CA GLU A 67 7.592 10.033 8.567 1.00 0.00 C ATOM 1073 C GLU A 67 9.114 10.164 8.519 1.00 0.00 C ATOM 1074 O GLU A 67 9.664 11.211 8.858 1.00 0.00 O ATOM 1075 CB GLU A 67 7.138 9.773 10.004 1.00 0.00 C ATOM 1076 CG GLU A 67 6.700 11.030 10.739 1.00 0.00 C ATOM 1077 CD GLU A 67 6.597 10.824 12.238 1.00 0.00 C ATOM 1078 OE1 GLU A 67 6.314 9.684 12.662 1.00 0.00 O ATOM 1079 OE2 GLU A 67 6.800 11.802 12.987 1.00 0.00 O ATOM 0 H GLU A 67 6.625 8.216 8.165 1.00 0.00 H new ATOM 0 HA GLU A 67 7.158 10.969 8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.312 9.062 9.993 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.954 9.305 10.555 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.409 11.832 10.534 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.733 11.354 10.353 1.00 0.00 H new ATOM 1086 N ASN A 68 9.789 9.097 8.101 1.00 0.00 N ATOM 1087 CA ASN A 68 11.246 9.104 8.018 1.00 0.00 C ATOM 1088 C ASN A 68 11.718 9.228 6.572 1.00 0.00 C ATOM 1089 O ASN A 68 12.801 9.749 6.307 1.00 0.00 O ATOM 1090 CB ASN A 68 11.818 7.831 8.644 1.00 0.00 C ATOM 1091 CG ASN A 68 11.336 7.618 10.065 1.00 0.00 C ATOM 1092 OD1 ASN A 68 11.842 8.234 11.004 1.00 0.00 O ATOM 1093 ND2 ASN A 68 10.354 6.741 10.232 1.00 0.00 N ATOM 0 H ASN A 68 9.353 8.220 7.816 1.00 0.00 H new ATOM 0 HA ASN A 68 11.608 9.971 8.570 1.00 0.00 H new ATOM 0 HB2 ASN A 68 11.536 6.972 8.035 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.907 7.883 8.637 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.990 6.555 11.166 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.964 6.253 9.426 1.00 0.00 H new ATOM 1100 N ALA A 69 10.902 8.746 5.640 1.00 0.00 N ATOM 1101 CA ALA A 69 11.245 8.805 4.224 1.00 0.00 C ATOM 1102 C ALA A 69 10.391 9.835 3.493 1.00 0.00 C ATOM 1103 O ALA A 69 9.174 9.689 3.393 1.00 0.00 O ATOM 1104 CB ALA A 69 11.082 7.434 3.586 1.00 0.00 C ATOM 0 H ALA A 69 10.001 8.311 5.839 1.00 0.00 H new ATOM 0 HA ALA A 69 12.287 9.113 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.341 7.492 2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.740 6.721 4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.048 7.106 3.689 1.00 0.00 H new ATOM 1110 N LYS A 70 11.040 10.877 2.982 1.00 0.00 N ATOM 1111 CA LYS A 70 10.341 11.932 2.256 1.00 0.00 C ATOM 1112 C LYS A 70 9.846 11.426 0.904 1.00 0.00 C ATOM 1113 O LYS A 70 8.900 11.972 0.336 1.00 0.00 O ATOM 1114 CB LYS A 70 11.259 13.139 2.057 1.00 0.00 C ATOM 1115 CG LYS A 70 11.704 13.790 3.357 1.00 0.00 C ATOM 1116 CD LYS A 70 11.292 15.253 3.424 1.00 0.00 C ATOM 1117 CE LYS A 70 10.076 15.451 4.315 1.00 0.00 C ATOM 1118 NZ LYS A 70 10.208 16.660 5.174 1.00 0.00 N ATOM 0 H LYS A 70 12.048 11.013 3.057 1.00 0.00 H new ATOM 0 HA LYS A 70 9.478 12.235 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.140 12.825 1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.742 13.881 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.272 13.251 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.787 13.712 3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.122 15.849 3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.071 15.616 2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.183 15.541 3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.940 14.572 4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.359 16.760 5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.045 16.563 5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.312 17.503 4.574 1.00 0.00 H new ATOM 1132 N LYS A 71 10.492 10.382 0.392 1.00 0.00 N ATOM 1133 CA LYS A 71 10.115 9.808 -0.895 1.00 0.00 C ATOM 1134 C LYS A 71 9.000 8.784 -0.736 1.00 0.00 C ATOM 1135 O LYS A 71 9.203 7.707 -0.177 1.00 0.00 O ATOM 1136 CB LYS A 71 11.319 9.152 -1.570 1.00 0.00 C ATOM 1137 CG LYS A 71 12.058 8.165 -0.678 1.00 0.00 C ATOM 1138 CD LYS A 71 13.554 8.437 -0.664 1.00 0.00 C ATOM 1139 CE LYS A 71 13.864 9.847 -0.188 1.00 0.00 C ATOM 1140 NZ LYS A 71 14.809 10.548 -1.100 1.00 0.00 N ATOM 0 H LYS A 71 11.277 9.917 0.848 1.00 0.00 H new ATOM 0 HA LYS A 71 9.754 10.623 -1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.983 8.635 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.013 9.929 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.667 8.227 0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.875 7.149 -1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.049 7.716 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.959 8.293 -1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.938 10.418 -0.117 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.291 9.806 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.994 11.506 -0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.702 10.018 -1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.392 10.611 -2.051 1.00 0.00 H new ATOM 1154 N ILE A 72 7.823 9.129 -1.241 1.00 0.00 N ATOM 1155 CA ILE A 72 6.670 8.244 -1.171 1.00 0.00 C ATOM 1156 C ILE A 72 5.929 8.232 -2.501 1.00 0.00 C ATOM 1157 O ILE A 72 5.067 9.076 -2.748 1.00 0.00 O ATOM 1158 CB ILE A 72 5.696 8.669 -0.055 1.00 0.00 C ATOM 1159 CG1 ILE A 72 6.456 8.929 1.248 1.00 0.00 C ATOM 1160 CG2 ILE A 72 4.630 7.603 0.148 1.00 0.00 C ATOM 1161 CD1 ILE A 72 6.639 10.399 1.556 1.00 0.00 C ATOM 0 H ILE A 72 7.642 10.019 -1.705 1.00 0.00 H new ATOM 0 HA ILE A 72 7.042 7.245 -0.946 1.00 0.00 H new ATOM 0 HB ILE A 72 5.205 9.595 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.921 8.457 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.435 8.453 1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.949 7.916 0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.072 7.465 -0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.105 6.663 0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.185 10.509 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.201 10.872 0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.663 10.876 1.647 1.00 0.00 H new ATOM 1173 N GLU A 73 6.269 7.276 -3.359 1.00 0.00 N ATOM 1174 CA GLU A 73 5.628 7.171 -4.663 1.00 0.00 C ATOM 1175 C GLU A 73 4.643 6.009 -4.688 1.00 0.00 C ATOM 1176 O GLU A 73 4.982 4.886 -4.315 1.00 0.00 O ATOM 1177 CB GLU A 73 6.671 7.009 -5.771 1.00 0.00 C ATOM 1178 CG GLU A 73 7.607 8.200 -5.903 1.00 0.00 C ATOM 1179 CD GLU A 73 7.832 8.608 -7.346 1.00 0.00 C ATOM 1180 OE1 GLU A 73 8.751 8.053 -7.983 1.00 0.00 O ATOM 1181 OE2 GLU A 73 7.090 9.483 -7.838 1.00 0.00 O ATOM 0 H GLU A 73 6.980 6.568 -3.176 1.00 0.00 H new ATOM 0 HA GLU A 73 5.077 8.094 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.261 6.114 -5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.159 6.852 -6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.195 9.044 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.565 7.957 -5.444 1.00 0.00 H new ATOM 1188 N VAL A 74 3.421 6.292 -5.121 1.00 0.00 N ATOM 1189 CA VAL A 74 2.381 5.277 -5.187 1.00 0.00 C ATOM 1190 C VAL A 74 2.161 4.798 -6.614 1.00 0.00 C ATOM 1191 O VAL A 74 1.863 5.590 -7.508 1.00 0.00 O ATOM 1192 CB VAL A 74 1.047 5.803 -4.624 1.00 0.00 C ATOM 1193 CG1 VAL A 74 0.025 4.680 -4.526 1.00 0.00 C ATOM 1194 CG2 VAL A 74 1.258 6.463 -3.269 1.00 0.00 C ATOM 0 H VAL A 74 3.127 7.218 -5.432 1.00 0.00 H new ATOM 0 HA VAL A 74 2.723 4.440 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 74 0.659 6.555 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.910 5.073 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.152 4.261 -5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.403 3.900 -3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.304 6.828 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.673 5.736 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.949 7.299 -3.375 1.00 0.00 H new ATOM 1204 N GLU A 75 2.297 3.493 -6.819 1.00 0.00 N ATOM 1205 CA GLU A 75 2.102 2.901 -8.134 1.00 0.00 C ATOM 1206 C GLU A 75 0.633 2.547 -8.341 1.00 0.00 C ATOM 1207 O GLU A 75 0.300 1.421 -8.710 1.00 0.00 O ATOM 1208 CB GLU A 75 2.969 1.648 -8.285 1.00 0.00 C ATOM 1209 CG GLU A 75 2.872 1.001 -9.658 1.00 0.00 C ATOM 1210 CD GLU A 75 2.503 -0.467 -9.586 1.00 0.00 C ATOM 1211 OE1 GLU A 75 1.385 -0.778 -9.121 1.00 0.00 O ATOM 1212 OE2 GLU A 75 3.331 -1.308 -9.996 1.00 0.00 O ATOM 0 H GLU A 75 2.542 2.825 -6.089 1.00 0.00 H new ATOM 0 HA GLU A 75 2.399 3.628 -8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.009 1.910 -8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.676 0.920 -7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.128 1.530 -10.253 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.826 1.107 -10.174 1.00 0.00 H new ATOM 1219 N PHE A 76 -0.245 3.514 -8.086 1.00 0.00 N ATOM 1220 CA PHE A 76 -1.675 3.298 -8.230 1.00 0.00 C ATOM 1221 C PHE A 76 -2.159 3.705 -9.624 1.00 0.00 C ATOM 1222 O PHE A 76 -1.605 4.611 -10.246 1.00 0.00 O ATOM 1223 CB PHE A 76 -2.424 4.061 -7.123 1.00 0.00 C ATOM 1224 CG PHE A 76 -3.043 5.365 -7.547 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -2.319 6.297 -8.272 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -4.355 5.658 -7.212 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -2.890 7.494 -8.655 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -4.933 6.853 -7.590 1.00 0.00 C ATOM 1229 CZ PHE A 76 -4.199 7.774 -8.314 1.00 0.00 C ATOM 0 H PHE A 76 0.012 4.452 -7.779 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.887 2.234 -8.122 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.209 3.417 -6.728 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.730 4.256 -6.305 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.295 6.085 -8.541 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.933 4.942 -6.647 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.314 8.211 -9.221 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.957 7.068 -7.321 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.648 8.710 -8.612 1.00 0.00 H new ATOM 1239 N ASP A 77 -3.191 3.019 -10.108 1.00 0.00 N ATOM 1240 CA ASP A 77 -3.746 3.297 -11.427 1.00 0.00 C ATOM 1241 C ASP A 77 -4.549 4.593 -11.426 1.00 0.00 C ATOM 1242 O ASP A 77 -5.042 5.031 -10.386 1.00 0.00 O ATOM 1243 CB ASP A 77 -4.636 2.138 -11.880 1.00 0.00 C ATOM 1244 CG ASP A 77 -4.850 2.124 -13.382 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -5.554 3.022 -13.889 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -4.312 1.217 -14.050 1.00 0.00 O ATOM 0 H ASP A 77 -3.660 2.266 -9.605 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.915 3.409 -12.123 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.184 1.195 -11.572 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.602 2.208 -11.379 1.00 0.00 H new ATOM 1251 N LYS A 78 -4.686 5.198 -12.603 1.00 0.00 N ATOM 1252 CA LYS A 78 -5.439 6.438 -12.742 1.00 0.00 C ATOM 1253 C LYS A 78 -6.850 6.149 -13.244 1.00 0.00 C ATOM 1254 O LYS A 78 -7.446 6.949 -13.966 1.00 0.00 O ATOM 1255 CB LYS A 78 -4.724 7.393 -13.702 1.00 0.00 C ATOM 1256 CG LYS A 78 -4.761 8.844 -13.256 1.00 0.00 C ATOM 1257 CD LYS A 78 -4.404 9.787 -14.395 1.00 0.00 C ATOM 1258 CE LYS A 78 -2.897 9.913 -14.564 1.00 0.00 C ATOM 1259 NZ LYS A 78 -2.411 11.275 -14.210 1.00 0.00 N ATOM 0 H LYS A 78 -4.285 4.849 -13.473 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.506 6.912 -11.763 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.685 7.080 -13.806 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.181 7.313 -14.688 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.756 9.085 -12.881 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.065 8.990 -12.430 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.846 9.423 -15.322 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.833 10.770 -14.202 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.398 9.175 -13.936 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.627 9.688 -15.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.380 11.320 -14.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.868 11.978 -14.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.646 11.480 -13.218 1.00 0.00 H new ATOM 1273 N GLY A 79 -7.377 4.996 -12.846 1.00 0.00 N ATOM 1274 CA GLY A 79 -8.709 4.595 -13.240 1.00 0.00 C ATOM 1275 C GLY A 79 -9.240 3.549 -12.297 1.00 0.00 C ATOM 1276 O GLY A 79 -9.933 2.616 -12.705 1.00 0.00 O ATOM 0 H GLY A 79 -6.894 4.325 -12.248 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.371 5.461 -13.243 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.692 4.203 -14.257 1.00 0.00 H new ATOM 1280 N GLN A 80 -8.890 3.701 -11.028 1.00 0.00 N ATOM 1281 CA GLN A 80 -9.307 2.763 -10.008 1.00 0.00 C ATOM 1282 C GLN A 80 -10.749 3.015 -9.606 1.00 0.00 C ATOM 1283 O GLN A 80 -11.142 4.136 -9.279 1.00 0.00 O ATOM 1284 CB GLN A 80 -8.368 2.843 -8.792 1.00 0.00 C ATOM 1285 CG GLN A 80 -9.067 3.002 -7.445 1.00 0.00 C ATOM 1286 CD GLN A 80 -9.599 1.689 -6.907 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -9.170 0.613 -7.325 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -10.540 1.770 -5.974 1.00 0.00 N ATOM 0 H GLN A 80 -8.315 4.470 -10.684 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.247 1.754 -10.416 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.758 1.940 -8.763 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.688 3.683 -8.932 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.369 3.429 -6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.890 3.709 -7.548 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.866 2.683 -5.657 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.937 0.919 -5.574 1.00 0.00 H new ATOM 1297 N ARG A 81 -11.523 1.952 -9.643 1.00 0.00 N ATOM 1298 CA ARG A 81 -12.935 2.008 -9.288 1.00 0.00 C ATOM 1299 C ARG A 81 -13.107 2.349 -7.812 1.00 0.00 C ATOM 1300 O ARG A 81 -13.383 1.475 -6.990 1.00 0.00 O ATOM 1301 CB ARG A 81 -13.617 0.675 -9.600 1.00 0.00 C ATOM 1302 CG ARG A 81 -13.429 0.218 -11.037 1.00 0.00 C ATOM 1303 CD ARG A 81 -14.330 0.987 -11.989 1.00 0.00 C ATOM 1304 NE ARG A 81 -13.660 1.290 -13.251 1.00 0.00 N ATOM 1305 CZ ARG A 81 -14.301 1.629 -14.367 1.00 0.00 C ATOM 1306 NH1 ARG A 81 -15.626 1.710 -14.381 1.00 0.00 N ATOM 1307 NH2 ARG A 81 -13.615 1.889 -15.472 1.00 0.00 N ATOM 0 H ARG A 81 -11.198 1.025 -9.918 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.404 2.792 -9.883 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.225 -0.090 -8.930 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.683 0.764 -9.392 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -12.388 0.354 -11.330 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.644 -0.848 -11.112 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.230 0.404 -12.187 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.649 1.916 -11.516 1.00 0.00 H new ATOM 0 HE ARG A 81 -12.642 1.239 -13.279 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.158 1.512 -13.534 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.112 1.970 -15.239 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.597 1.829 -15.466 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.106 2.149 -16.328 1.00 0.00 H new ATOM 1321 N THR A 82 -12.936 3.624 -7.482 1.00 0.00 N ATOM 1322 CA THR A 82 -13.064 4.083 -6.104 1.00 0.00 C ATOM 1323 C THR A 82 -14.520 4.351 -5.747 1.00 0.00 C ATOM 1324 O THR A 82 -15.360 4.555 -6.623 1.00 0.00 O ATOM 1325 CB THR A 82 -12.243 5.358 -5.890 1.00 0.00 C ATOM 1326 OG1 THR A 82 -12.251 5.741 -4.525 1.00 0.00 O ATOM 1327 CG2 THR A 82 -12.749 6.538 -6.691 1.00 0.00 C ATOM 0 H THR A 82 -12.708 4.359 -8.151 1.00 0.00 H new ATOM 0 HA THR A 82 -12.686 3.294 -5.454 1.00 0.00 H new ATOM 0 HB THR A 82 -11.237 5.108 -6.227 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.684 6.531 -4.404 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.123 7.408 -6.493 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.712 6.299 -7.754 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.777 6.758 -6.404 1.00 0.00 H new ATOM 1421 N TRP A 88 -9.219 3.892 -2.654 1.00 0.00 N ATOM 1422 CA TRP A 88 -8.546 3.665 -3.931 1.00 0.00 C ATOM 1423 C TRP A 88 -7.529 2.530 -3.803 1.00 0.00 C ATOM 1424 O TRP A 88 -7.233 2.078 -2.704 1.00 0.00 O ATOM 1425 CB TRP A 88 -7.830 4.941 -4.389 1.00 0.00 C ATOM 1426 CG TRP A 88 -8.721 5.917 -5.098 1.00 0.00 C ATOM 1427 CD1 TRP A 88 -9.674 6.717 -4.536 1.00 0.00 C ATOM 1428 CD2 TRP A 88 -8.735 6.202 -6.502 1.00 0.00 C ATOM 1429 NE1 TRP A 88 -10.279 7.480 -5.507 1.00 0.00 N ATOM 1430 CE2 TRP A 88 -9.721 7.181 -6.720 1.00 0.00 C ATOM 1431 CE3 TRP A 88 -8.009 5.724 -7.596 1.00 0.00 C ATOM 1432 CZ2 TRP A 88 -9.999 7.690 -7.987 1.00 0.00 C ATOM 1433 CZ3 TRP A 88 -8.287 6.227 -8.851 1.00 0.00 C ATOM 1434 CH2 TRP A 88 -9.275 7.202 -9.038 1.00 0.00 C ATOM 0 HA TRP A 88 -9.299 3.390 -4.670 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -7.390 5.431 -3.520 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.008 4.667 -5.051 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.917 6.746 -3.484 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.023 8.159 -5.349 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.244 4.974 -7.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -10.759 8.443 -8.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -7.733 5.862 -9.703 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -9.468 7.576 -10.033 1.00 0.00 H new ATOM 1445 N LEU A 89 -6.968 2.093 -4.921 1.00 0.00 N ATOM 1446 CA LEU A 89 -5.950 1.044 -4.892 1.00 0.00 C ATOM 1447 C LEU A 89 -4.572 1.691 -4.781 1.00 0.00 C ATOM 1448 O LEU A 89 -4.408 2.856 -5.139 1.00 0.00 O ATOM 1449 CB LEU A 89 -6.031 0.164 -6.150 1.00 0.00 C ATOM 1450 CG LEU A 89 -5.197 0.610 -7.367 1.00 0.00 C ATOM 1451 CD1 LEU A 89 -5.331 2.107 -7.631 1.00 0.00 C ATOM 1452 CD2 LEU A 89 -3.734 0.228 -7.181 1.00 0.00 C ATOM 0 H LEU A 89 -7.195 2.442 -5.852 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.124 0.402 -4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.722 -0.845 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.075 0.106 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.589 0.089 -8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.727 2.379 -8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.376 2.350 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.986 2.663 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.160 0.551 -8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.342 0.713 -6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.651 -0.853 -7.073 1.00 0.00 H new ATOM 1464 N ALA A 90 -3.583 0.951 -4.291 1.00 0.00 N ATOM 1465 CA ALA A 90 -2.233 1.496 -4.158 1.00 0.00 C ATOM 1466 C ALA A 90 -1.315 0.566 -3.378 1.00 0.00 C ATOM 1467 O ALA A 90 -1.768 -0.348 -2.687 1.00 0.00 O ATOM 1468 CB ALA A 90 -2.269 2.865 -3.491 1.00 0.00 C ATOM 0 H ALA A 90 -3.686 -0.016 -3.982 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.830 1.596 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.254 3.253 -3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.867 3.548 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.712 2.775 -2.499 1.00 0.00 H new ATOM 1474 N TYR A 91 -0.016 0.820 -3.494 1.00 0.00 N ATOM 1475 CA TYR A 91 0.993 0.031 -2.807 1.00 0.00 C ATOM 1476 C TYR A 91 1.714 0.890 -1.769 1.00 0.00 C ATOM 1477 O TYR A 91 1.864 0.493 -0.614 1.00 0.00 O ATOM 1478 CB TYR A 91 1.992 -0.538 -3.816 1.00 0.00 C ATOM 1479 CG TYR A 91 1.464 -1.724 -4.597 1.00 0.00 C ATOM 1480 CD1 TYR A 91 0.231 -1.671 -5.243 1.00 0.00 C ATOM 1481 CD2 TYR A 91 2.202 -2.897 -4.690 1.00 0.00 C ATOM 1482 CE1 TYR A 91 -0.246 -2.755 -5.956 1.00 0.00 C ATOM 1483 CE2 TYR A 91 1.730 -3.983 -5.401 1.00 0.00 C ATOM 1484 CZ TYR A 91 0.507 -3.908 -6.031 1.00 0.00 C ATOM 1485 OH TYR A 91 0.036 -4.990 -6.741 1.00 0.00 O ATOM 0 H TYR A 91 0.363 1.576 -4.065 1.00 0.00 H new ATOM 0 HA TYR A 91 0.506 -0.798 -2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.276 0.248 -4.515 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.897 -0.837 -3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.361 -0.770 -5.186 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.161 -2.961 -4.198 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.204 -2.699 -6.452 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.317 -4.887 -5.463 1.00 0.00 H new ATOM 0 HH TYR A 91 0.688 -5.720 -6.695 1.00 0.00 H new ATOM 1495 N ILE A 92 2.138 2.079 -2.191 1.00 0.00 N ATOM 1496 CA ILE A 92 2.823 3.017 -1.306 1.00 0.00 C ATOM 1497 C ILE A 92 4.134 2.453 -0.768 1.00 0.00 C ATOM 1498 O ILE A 92 4.173 1.342 -0.238 1.00 0.00 O ATOM 1499 CB ILE A 92 1.931 3.414 -0.114 1.00 0.00 C ATOM 1500 CG1 ILE A 92 0.526 3.780 -0.596 1.00 0.00 C ATOM 1501 CG2 ILE A 92 2.555 4.572 0.651 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -0.475 2.654 -0.449 1.00 0.00 C ATOM 0 H ILE A 92 2.018 2.417 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 92 3.043 3.896 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 92 1.850 2.561 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.172 4.645 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.576 4.077 -1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.914 4.841 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.535 4.275 1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.664 5.430 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.449 2.984 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.144 1.794 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.554 2.372 0.601 1.00 0.00 H new ATOM 1514 N TYR A 93 5.201 3.238 -0.890 1.00 0.00 N ATOM 1515 CA TYR A 93 6.513 2.832 -0.398 1.00 0.00 C ATOM 1516 C TYR A 93 7.348 4.042 0.000 1.00 0.00 C ATOM 1517 O TYR A 93 7.333 5.070 -0.676 1.00 0.00 O ATOM 1518 CB TYR A 93 7.272 2.011 -1.441 1.00 0.00 C ATOM 1519 CG TYR A 93 7.271 2.602 -2.827 1.00 0.00 C ATOM 1520 CD1 TYR A 93 8.044 3.716 -3.128 1.00 0.00 C ATOM 1521 CD2 TYR A 93 6.511 2.035 -3.839 1.00 0.00 C ATOM 1522 CE1 TYR A 93 8.054 4.249 -4.400 1.00 0.00 C ATOM 1523 CE2 TYR A 93 6.517 2.561 -5.116 1.00 0.00 C ATOM 1524 CZ TYR A 93 7.290 3.668 -5.391 1.00 0.00 C ATOM 1525 OH TYR A 93 7.301 4.195 -6.662 1.00 0.00 O ATOM 0 H TYR A 93 5.182 4.160 -1.326 1.00 0.00 H new ATOM 0 HA TYR A 93 6.344 2.210 0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.304 1.894 -1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.836 1.013 -1.486 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.646 4.171 -2.355 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.904 1.168 -3.625 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.657 5.117 -4.619 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.920 2.108 -5.894 1.00 0.00 H new ATOM 0 HH TYR A 93 6.710 3.668 -7.240 1.00 0.00 H new ATOM 1535 N ALA A 94 8.085 3.907 1.096 1.00 0.00 N ATOM 1536 CA ALA A 94 8.938 4.982 1.581 1.00 0.00 C ATOM 1537 C ALA A 94 10.407 4.594 1.461 1.00 0.00 C ATOM 1538 O ALA A 94 10.835 3.578 2.007 1.00 0.00 O ATOM 1539 CB ALA A 94 8.590 5.324 3.023 1.00 0.00 C ATOM 0 H ALA A 94 8.108 3.061 1.666 1.00 0.00 H new ATOM 0 HA ALA A 94 8.767 5.865 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.236 6.129 3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.549 5.643 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.735 4.445 3.651 1.00 0.00 H new ATOM 1545 N ASP A 95 11.173 5.405 0.735 1.00 0.00 N ATOM 1546 CA ASP A 95 12.599 5.149 0.530 1.00 0.00 C ATOM 1547 C ASP A 95 12.805 4.080 -0.539 1.00 0.00 C ATOM 1548 O ASP A 95 13.750 3.295 -0.473 1.00 0.00 O ATOM 1549 CB ASP A 95 13.272 4.720 1.837 1.00 0.00 C ATOM 1550 CG ASP A 95 14.730 5.132 1.899 1.00 0.00 C ATOM 1551 OD1 ASP A 95 15.000 6.346 2.020 1.00 0.00 O ATOM 1552 OD2 ASP A 95 15.603 4.241 1.826 1.00 0.00 O ATOM 0 H ASP A 95 10.829 6.249 0.277 1.00 0.00 H new ATOM 0 HA ASP A 95 13.060 6.077 0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.737 5.159 2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.198 3.638 1.942 1.00 0.00 H new ATOM 1557 N GLY A 96 11.914 4.062 -1.526 1.00 0.00 N ATOM 1558 CA GLY A 96 12.012 3.090 -2.601 1.00 0.00 C ATOM 1559 C GLY A 96 11.870 1.660 -2.116 1.00 0.00 C ATOM 1560 O GLY A 96 12.288 0.725 -2.797 1.00 0.00 O ATOM 0 H GLY A 96 11.125 4.704 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.240 3.296 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.973 3.205 -3.102 1.00 0.00 H new ATOM 1564 N LYS A 97 11.276 1.488 -0.939 1.00 0.00 N ATOM 1565 CA LYS A 97 11.081 0.158 -0.372 1.00 0.00 C ATOM 1566 C LYS A 97 9.688 0.018 0.233 1.00 0.00 C ATOM 1567 O LYS A 97 9.382 0.621 1.262 1.00 0.00 O ATOM 1568 CB LYS A 97 12.148 -0.138 0.687 1.00 0.00 C ATOM 1569 CG LYS A 97 12.453 1.037 1.605 1.00 0.00 C ATOM 1570 CD LYS A 97 11.841 0.843 2.984 1.00 0.00 C ATOM 1571 CE LYS A 97 12.478 1.765 4.012 1.00 0.00 C ATOM 1572 NZ LYS A 97 13.963 1.766 3.915 1.00 0.00 N ATOM 0 H LYS A 97 10.922 2.250 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 97 11.177 -0.567 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.820 -0.983 1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.067 -0.443 0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.532 1.156 1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.069 1.955 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.769 1.034 2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.967 -0.194 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.105 2.779 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.180 1.453 5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.369 2.114 4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.300 0.798 3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.259 2.386 3.134 1.00 0.00 H new ATOM 1586 N MET A 98 8.848 -0.783 -0.415 1.00 0.00 N ATOM 1587 CA MET A 98 7.486 -1.011 0.054 1.00 0.00 C ATOM 1588 C MET A 98 7.488 -1.608 1.457 1.00 0.00 C ATOM 1589 O MET A 98 8.387 -2.369 1.815 1.00 0.00 O ATOM 1590 CB MET A 98 6.751 -1.949 -0.910 1.00 0.00 C ATOM 1591 CG MET A 98 5.497 -1.344 -1.519 1.00 0.00 C ATOM 1592 SD MET A 98 5.478 -1.446 -3.321 1.00 0.00 S ATOM 1593 CE MET A 98 5.811 -3.190 -3.565 1.00 0.00 C ATOM 0 H MET A 98 9.088 -1.286 -1.269 1.00 0.00 H new ATOM 0 HA MET A 98 6.970 -0.052 0.088 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.431 -2.236 -1.712 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.482 -2.862 -0.379 1.00 0.00 H new ATOM 0 HG2 MET A 98 4.621 -1.857 -1.121 1.00 0.00 H new ATOM 0 HG3 MET A 98 5.419 -0.299 -1.218 1.00 0.00 H new ATOM 0 HE1 MET A 98 5.289 -3.539 -4.456 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.883 -3.342 -3.689 1.00 0.00 H new ATOM 0 HE3 MET A 98 5.463 -3.752 -2.698 1.00 0.00 H new ATOM 1603 N VAL A 99 6.474 -1.266 2.250 1.00 0.00 N ATOM 1604 CA VAL A 99 6.366 -1.783 3.611 1.00 0.00 C ATOM 1605 C VAL A 99 6.467 -3.303 3.615 1.00 0.00 C ATOM 1606 O VAL A 99 7.003 -3.900 4.549 1.00 0.00 O ATOM 1607 CB VAL A 99 5.046 -1.362 4.286 1.00 0.00 C ATOM 1608 CG1 VAL A 99 5.177 0.028 4.888 1.00 0.00 C ATOM 1609 CG2 VAL A 99 3.888 -1.419 3.298 1.00 0.00 C ATOM 0 H VAL A 99 5.720 -0.637 1.975 1.00 0.00 H new ATOM 0 HA VAL A 99 7.193 -1.355 4.178 1.00 0.00 H new ATOM 0 HB VAL A 99 4.833 -2.066 5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.236 0.310 5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 99 5.972 0.028 5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.417 0.744 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.968 -1.118 3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.086 -0.744 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.780 -2.436 2.922 1.00 0.00 H new