USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 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 27 TYR OH : rot -39:sc= -0.916 USER MOD Set 1.2: A 78 LYS NZ :NH3+ -126:sc= 0.0801 (180deg=0) USER MOD Set 2.1: A 9 LYS NZ :NH3+ -151:sc= -1.18 (180deg=-2.82) USER MOD Set 2.2: A 93 TYR OH : rot 90:sc= -1.1 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -119:sc= -0.0265 (180deg=-2.02!) 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 170:sc= -0.279 (180deg=-0.441) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -4.13 K(o=-4.1,f=-3!) USER MOD Single : A 32 MET CE :methyl 172:sc= 0 (180deg=-0.0567) USER MOD Single : A 33 THR OG1 : rot 43:sc= 0.0839 USER MOD Single : A 59 SER OG : rot -93:sc= 0.00489 USER MOD Single : A 62 THR OG1 : rot 147:sc= 1.08 USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= -0.0593 (180deg=-0.362) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 176:sc= -5.01 (180deg=-5.02) USER MOD Single : A 68 ASN : amide:sc= -2.9 K(o=-2.9,f=-11!) 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 80 GLN : amide:sc= -6.14! C(o=-6.1!,f=-6!) 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 97 LYS NZ :NH3+ 165:sc= 0.188 (180deg=0.0441) USER MOD Single : A 98 MET CE :methyl -149:sc= -0.0569 (180deg=-0.133) USER MOD ----------------------------------------------------------------- ATOM 133 N LYS A 9 -0.402 6.470 -12.090 1.00 0.00 N ATOM 134 CA LYS A 9 0.423 6.560 -10.888 1.00 0.00 C ATOM 135 C LYS A 9 0.502 7.999 -10.388 1.00 0.00 C ATOM 136 O LYS A 9 0.779 8.919 -11.155 1.00 0.00 O ATOM 137 CB LYS A 9 1.830 6.026 -11.163 1.00 0.00 C ATOM 138 CG LYS A 9 1.855 4.580 -11.631 1.00 0.00 C ATOM 139 CD LYS A 9 3.245 3.977 -11.508 1.00 0.00 C ATOM 140 CE LYS A 9 3.741 3.997 -10.070 1.00 0.00 C ATOM 141 NZ LYS A 9 4.343 2.694 -9.673 1.00 0.00 N ATOM 0 HA LYS A 9 -0.043 5.950 -10.115 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.305 6.651 -11.919 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.427 6.115 -10.255 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.150 3.994 -11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.525 4.527 -12.668 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.230 2.950 -11.874 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.939 4.531 -12.140 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.480 4.790 -9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.912 4.232 -9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.220 2.552 -8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.873 1.923 -10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.357 2.696 -9.903 1.00 0.00 H new ATOM 155 N GLU A 10 0.255 8.185 -9.094 1.00 0.00 N ATOM 156 CA GLU A 10 0.300 9.514 -8.493 1.00 0.00 C ATOM 157 C GLU A 10 1.036 9.482 -7.154 1.00 0.00 C ATOM 158 O GLU A 10 0.950 8.500 -6.416 1.00 0.00 O ATOM 159 CB GLU A 10 -1.117 10.054 -8.296 1.00 0.00 C ATOM 160 CG GLU A 10 -1.983 9.962 -9.542 1.00 0.00 C ATOM 161 CD GLU A 10 -1.786 11.138 -10.478 1.00 0.00 C ATOM 162 OE1 GLU A 10 -0.706 11.230 -11.099 1.00 0.00 O ATOM 163 OE2 GLU A 10 -2.712 11.969 -10.589 1.00 0.00 O ATOM 0 H GLU A 10 0.022 7.435 -8.444 1.00 0.00 H new ATOM 0 HA GLU A 10 0.843 10.174 -9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.598 9.502 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.059 11.096 -7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.753 9.038 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.031 9.908 -9.248 1.00 0.00 H new ATOM 170 N PRO A 11 1.770 10.560 -6.821 1.00 0.00 N ATOM 171 CA PRO A 11 2.518 10.650 -5.571 1.00 0.00 C ATOM 172 C PRO A 11 1.646 11.105 -4.406 1.00 0.00 C ATOM 173 O PRO A 11 1.299 12.282 -4.299 1.00 0.00 O ATOM 174 CB PRO A 11 3.599 11.704 -5.865 1.00 0.00 C ATOM 175 CG PRO A 11 3.320 12.229 -7.243 1.00 0.00 C ATOM 176 CD PRO A 11 1.939 11.772 -7.622 1.00 0.00 C ATOM 0 HA PRO A 11 2.919 9.681 -5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.567 12.508 -5.130 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.595 11.264 -5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.383 13.317 -7.260 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.057 11.855 -7.954 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.185 12.522 -7.385 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.859 11.566 -8.689 1.00 0.00 H new ATOM 184 N ALA A 12 1.303 10.169 -3.530 1.00 0.00 N ATOM 185 CA ALA A 12 0.481 10.477 -2.367 1.00 0.00 C ATOM 186 C ALA A 12 1.263 10.236 -1.082 1.00 0.00 C ATOM 187 O ALA A 12 1.957 9.227 -0.947 1.00 0.00 O ATOM 188 CB ALA A 12 -0.795 9.650 -2.385 1.00 0.00 C ATOM 0 H ALA A 12 1.581 9.190 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 12 0.206 11.531 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.398 9.892 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.361 9.874 -3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.542 8.590 -2.369 1.00 0.00 H new ATOM 194 N THR A 13 1.163 11.173 -0.146 1.00 0.00 N ATOM 195 CA THR A 13 1.877 11.064 1.120 1.00 0.00 C ATOM 196 C THR A 13 1.078 10.273 2.150 1.00 0.00 C ATOM 197 O THR A 13 0.076 10.753 2.677 1.00 0.00 O ATOM 198 CB THR A 13 2.191 12.457 1.668 1.00 0.00 C ATOM 199 OG1 THR A 13 2.776 13.271 0.667 1.00 0.00 O ATOM 200 CG2 THR A 13 3.134 12.434 2.852 1.00 0.00 C ATOM 0 H THR A 13 0.595 12.015 -0.240 1.00 0.00 H new ATOM 0 HA THR A 13 2.807 10.527 0.930 1.00 0.00 H new ATOM 0 HB THR A 13 1.233 12.862 1.994 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.968 14.158 1.037 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.316 13.453 3.192 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.688 11.855 3.661 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.078 11.977 2.556 1.00 0.00 H new ATOM 208 N LEU A 14 1.544 9.062 2.443 1.00 0.00 N ATOM 209 CA LEU A 14 0.888 8.207 3.423 1.00 0.00 C ATOM 210 C LEU A 14 1.152 8.731 4.830 1.00 0.00 C ATOM 211 O LEU A 14 2.290 8.729 5.300 1.00 0.00 O ATOM 212 CB LEU A 14 1.393 6.768 3.290 1.00 0.00 C ATOM 213 CG LEU A 14 0.716 5.750 4.210 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.670 4.382 3.548 1.00 0.00 C ATOM 215 CD2 LEU A 14 1.440 5.677 5.545 1.00 0.00 C ATOM 0 H LEU A 14 2.374 8.652 2.015 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.186 8.217 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.257 6.447 2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.465 6.757 3.489 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.308 6.076 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.185 3.670 4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.107 4.447 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.685 4.046 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.946 4.948 6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.474 5.374 5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.420 6.656 6.024 1.00 0.00 H new ATOM 227 N ILE A 15 0.100 9.197 5.492 1.00 0.00 N ATOM 228 CA ILE A 15 0.232 9.744 6.837 1.00 0.00 C ATOM 229 C ILE A 15 0.432 8.653 7.881 1.00 0.00 C ATOM 230 O ILE A 15 1.256 8.796 8.785 1.00 0.00 O ATOM 231 CB ILE A 15 -1.000 10.585 7.230 1.00 0.00 C ATOM 232 CG1 ILE A 15 -2.255 9.710 7.274 1.00 0.00 C ATOM 233 CG2 ILE A 15 -1.188 11.740 6.258 1.00 0.00 C ATOM 234 CD1 ILE A 15 -2.437 8.966 8.583 1.00 0.00 C ATOM 0 H ILE A 15 -0.850 9.207 5.122 1.00 0.00 H new ATOM 0 HA ILE A 15 1.116 10.381 6.816 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.833 10.997 8.225 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.130 10.336 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.211 8.987 6.459 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.062 12.323 6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.304 12.378 6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.333 11.348 5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.347 8.368 8.538 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.581 8.312 8.752 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.514 9.682 9.401 1.00 0.00 H new ATOM 246 N LYS A 16 -0.335 7.574 7.774 1.00 0.00 N ATOM 247 CA LYS A 16 -0.233 6.488 8.741 1.00 0.00 C ATOM 248 C LYS A 16 -1.086 5.291 8.344 1.00 0.00 C ATOM 249 O LYS A 16 -2.115 5.435 7.684 1.00 0.00 O ATOM 250 CB LYS A 16 -0.657 6.980 10.127 1.00 0.00 C ATOM 251 CG LYS A 16 -0.287 6.026 11.249 1.00 0.00 C ATOM 252 CD LYS A 16 -1.063 6.333 12.519 1.00 0.00 C ATOM 253 CE LYS A 16 -0.995 5.177 13.503 1.00 0.00 C ATOM 254 NZ LYS A 16 0.361 5.035 14.102 1.00 0.00 N ATOM 0 H LYS A 16 -1.026 7.428 7.038 1.00 0.00 H new ATOM 0 HA LYS A 16 0.808 6.166 8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.194 7.948 10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.736 7.135 10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.488 5.001 10.938 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.782 6.095 11.449 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.661 7.233 12.984 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.104 6.540 12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.727 5.332 14.295 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.266 4.252 12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.751 4.102 13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.985 5.779 13.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.295 5.125 15.136 1.00 0.00 H new ATOM 268 N ALA A 17 -0.652 4.107 8.767 1.00 0.00 N ATOM 269 CA ALA A 17 -1.375 2.875 8.475 1.00 0.00 C ATOM 270 C ALA A 17 -2.395 2.576 9.571 1.00 0.00 C ATOM 271 O ALA A 17 -2.183 2.916 10.734 1.00 0.00 O ATOM 272 CB ALA A 17 -0.403 1.715 8.320 1.00 0.00 C ATOM 0 H ALA A 17 0.199 3.976 9.314 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.912 3.005 7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.958 0.802 8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.286 1.925 7.502 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.160 1.586 9.245 1.00 0.00 H new ATOM 278 N ILE A 18 -3.506 1.949 9.194 1.00 0.00 N ATOM 279 CA ILE A 18 -4.554 1.620 10.155 1.00 0.00 C ATOM 280 C ILE A 18 -4.528 0.141 10.534 1.00 0.00 C ATOM 281 O ILE A 18 -4.120 -0.216 11.640 1.00 0.00 O ATOM 282 CB ILE A 18 -5.951 1.982 9.614 1.00 0.00 C ATOM 283 CG1 ILE A 18 -5.942 3.386 9.010 1.00 0.00 C ATOM 284 CG2 ILE A 18 -6.990 1.884 10.721 1.00 0.00 C ATOM 285 CD1 ILE A 18 -7.195 3.718 8.228 1.00 0.00 C ATOM 0 H ILE A 18 -3.703 1.660 8.236 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.353 2.215 11.046 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.214 1.272 8.830 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.819 4.116 9.810 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.077 3.484 8.354 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.971 2.143 10.323 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.013 0.866 11.109 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.731 2.573 11.525 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.118 4.729 7.829 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.309 3.011 7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.062 3.653 8.885 1.00 0.00 H new ATOM 297 N ASP A 19 -4.975 -0.718 9.621 1.00 0.00 N ATOM 298 CA ASP A 19 -5.008 -2.155 9.879 1.00 0.00 C ATOM 299 C ASP A 19 -4.116 -2.919 8.903 1.00 0.00 C ATOM 300 O ASP A 19 -4.357 -4.093 8.620 1.00 0.00 O ATOM 301 CB ASP A 19 -6.444 -2.674 9.788 1.00 0.00 C ATOM 302 CG ASP A 19 -6.819 -3.547 10.969 1.00 0.00 C ATOM 303 OD1 ASP A 19 -6.285 -3.313 12.073 1.00 0.00 O ATOM 304 OD2 ASP A 19 -7.646 -4.465 10.789 1.00 0.00 O ATOM 0 H ASP A 19 -5.318 -0.445 8.700 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.626 -2.321 10.886 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.130 -1.829 9.732 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.564 -3.243 8.866 1.00 0.00 H new ATOM 309 N GLY A 20 -3.085 -2.253 8.393 1.00 0.00 N ATOM 310 CA GLY A 20 -2.178 -2.895 7.459 1.00 0.00 C ATOM 311 C GLY A 20 -2.610 -2.730 6.015 1.00 0.00 C ATOM 312 O GLY A 20 -1.789 -2.432 5.147 1.00 0.00 O ATOM 0 H GLY A 20 -2.861 -1.282 8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.179 -2.478 7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.112 -3.957 7.695 1.00 0.00 H new ATOM 316 N ASP A 21 -3.900 -2.920 5.755 1.00 0.00 N ATOM 317 CA ASP A 21 -4.434 -2.785 4.405 1.00 0.00 C ATOM 318 C ASP A 21 -5.031 -1.396 4.208 1.00 0.00 C ATOM 319 O ASP A 21 -4.659 -0.675 3.283 1.00 0.00 O ATOM 320 CB ASP A 21 -5.494 -3.859 4.141 1.00 0.00 C ATOM 321 CG ASP A 21 -5.136 -4.746 2.966 1.00 0.00 C ATOM 322 OD1 ASP A 21 -4.094 -5.432 3.034 1.00 0.00 O ATOM 323 OD2 ASP A 21 -5.897 -4.756 1.975 1.00 0.00 O ATOM 0 H ASP A 21 -4.594 -3.168 6.461 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.618 -2.919 3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.615 -4.473 5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.454 -3.379 3.952 1.00 0.00 H new ATOM 328 N THR A 22 -5.949 -1.024 5.093 1.00 0.00 N ATOM 329 CA THR A 22 -6.585 0.285 5.025 1.00 0.00 C ATOM 330 C THR A 22 -5.651 1.352 5.584 1.00 0.00 C ATOM 331 O THR A 22 -5.435 1.430 6.792 1.00 0.00 O ATOM 332 CB THR A 22 -7.902 0.280 5.803 1.00 0.00 C ATOM 333 OG1 THR A 22 -8.791 -0.688 5.277 1.00 0.00 O ATOM 334 CG2 THR A 22 -8.613 1.617 5.785 1.00 0.00 C ATOM 0 H THR A 22 -6.269 -1.610 5.864 1.00 0.00 H new ATOM 0 HA THR A 22 -6.798 0.513 3.981 1.00 0.00 H new ATOM 0 HB THR A 22 -7.629 0.047 6.832 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.627 -0.677 5.789 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.539 1.544 6.355 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.971 2.376 6.231 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.841 1.894 4.756 1.00 0.00 H new ATOM 342 N VAL A 23 -5.090 2.165 4.698 1.00 0.00 N ATOM 343 CA VAL A 23 -4.170 3.218 5.108 1.00 0.00 C ATOM 344 C VAL A 23 -4.544 4.558 4.487 1.00 0.00 C ATOM 345 O VAL A 23 -5.212 4.610 3.454 1.00 0.00 O ATOM 346 CB VAL A 23 -2.721 2.873 4.717 1.00 0.00 C ATOM 347 CG1 VAL A 23 -2.266 1.605 5.421 1.00 0.00 C ATOM 348 CG2 VAL A 23 -2.595 2.726 3.206 1.00 0.00 C ATOM 0 H VAL A 23 -5.256 2.116 3.693 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.244 3.295 6.193 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.074 3.691 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.240 1.377 5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.316 1.750 6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.916 0.777 5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.564 2.482 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.253 1.928 2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.877 3.662 2.725 1.00 0.00 H new ATOM 358 N LYS A 24 -4.102 5.638 5.119 1.00 0.00 N ATOM 359 CA LYS A 24 -4.382 6.977 4.622 1.00 0.00 C ATOM 360 C LYS A 24 -3.263 7.448 3.698 1.00 0.00 C ATOM 361 O LYS A 24 -2.091 7.157 3.925 1.00 0.00 O ATOM 362 CB LYS A 24 -4.560 7.956 5.785 1.00 0.00 C ATOM 363 CG LYS A 24 -4.668 9.410 5.350 1.00 0.00 C ATOM 364 CD LYS A 24 -5.476 10.230 6.344 1.00 0.00 C ATOM 365 CE LYS A 24 -5.139 11.710 6.251 1.00 0.00 C ATOM 366 NZ LYS A 24 -5.663 12.473 7.418 1.00 0.00 N ATOM 0 H LYS A 24 -3.549 5.612 5.976 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.311 6.944 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.457 7.685 6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.717 7.852 6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.670 9.836 5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.136 9.463 4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.540 10.086 6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.280 9.874 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.058 11.833 6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.557 12.120 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.413 13.477 7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.698 12.377 7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.245 12.098 8.294 1.00 0.00 H new ATOM 380 N LEU A 25 -3.642 8.167 2.651 1.00 0.00 N ATOM 381 CA LEU A 25 -2.685 8.677 1.675 1.00 0.00 C ATOM 382 C LEU A 25 -3.067 10.079 1.220 1.00 0.00 C ATOM 383 O LEU A 25 -4.113 10.262 0.603 1.00 0.00 O ATOM 384 CB LEU A 25 -2.651 7.761 0.447 1.00 0.00 C ATOM 385 CG LEU A 25 -1.559 6.688 0.435 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.130 5.360 -0.041 1.00 0.00 C ATOM 387 CD2 LEU A 25 -0.405 7.110 -0.463 1.00 0.00 C ATOM 0 H LEU A 25 -4.612 8.413 2.454 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.706 8.706 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.619 7.266 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.531 8.382 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.184 6.568 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.343 4.606 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.930 5.046 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.527 5.475 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.361 6.335 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.769 7.255 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.021 8.043 -0.094 1.00 0.00 H new ATOM 399 N MET A 26 -2.207 11.060 1.483 1.00 0.00 N ATOM 400 CA MET A 26 -2.478 12.426 1.045 1.00 0.00 C ATOM 401 C MET A 26 -2.305 12.481 -0.466 1.00 0.00 C ATOM 402 O MET A 26 -1.187 12.539 -0.978 1.00 0.00 O ATOM 403 CB MET A 26 -1.521 13.409 1.729 1.00 0.00 C ATOM 404 CG MET A 26 -2.224 14.414 2.628 1.00 0.00 C ATOM 405 SD MET A 26 -1.398 14.622 4.218 1.00 0.00 S ATOM 406 CE MET A 26 -2.802 14.627 5.331 1.00 0.00 C ATOM 0 H MET A 26 -1.330 10.938 1.989 1.00 0.00 H new ATOM 0 HA MET A 26 -3.495 12.710 1.316 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.798 12.848 2.321 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.959 13.947 0.966 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.274 15.377 2.120 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.251 14.089 2.796 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.450 14.569 6.361 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.372 15.546 5.193 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.439 13.769 5.117 1.00 0.00 H new ATOM 416 N TYR A 27 -3.425 12.416 -1.172 1.00 0.00 N ATOM 417 CA TYR A 27 -3.423 12.406 -2.627 1.00 0.00 C ATOM 418 C TYR A 27 -3.636 13.801 -3.206 1.00 0.00 C ATOM 419 O TYR A 27 -4.735 14.352 -3.140 1.00 0.00 O ATOM 420 CB TYR A 27 -4.511 11.448 -3.111 1.00 0.00 C ATOM 421 CG TYR A 27 -4.611 11.321 -4.608 1.00 0.00 C ATOM 422 CD1 TYR A 27 -5.180 12.330 -5.368 1.00 0.00 C ATOM 423 CD2 TYR A 27 -4.153 10.185 -5.257 1.00 0.00 C ATOM 424 CE1 TYR A 27 -5.291 12.214 -6.736 1.00 0.00 C ATOM 425 CE2 TYR A 27 -4.255 10.057 -6.626 1.00 0.00 C ATOM 426 CZ TYR A 27 -4.827 11.075 -7.365 1.00 0.00 C ATOM 427 OH TYR A 27 -4.934 10.958 -8.733 1.00 0.00 O ATOM 0 H TYR A 27 -4.355 12.369 -0.755 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.447 12.069 -2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.323 10.461 -2.687 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.472 11.784 -2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.543 13.222 -4.880 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.709 9.387 -4.681 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.738 13.009 -7.314 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.890 9.167 -7.117 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.792 11.329 -9.027 1.00 0.00 H new ATOM 437 N LYS A 28 -2.574 14.363 -3.779 1.00 0.00 N ATOM 438 CA LYS A 28 -2.630 15.694 -4.381 1.00 0.00 C ATOM 439 C LYS A 28 -3.300 16.695 -3.443 1.00 0.00 C ATOM 440 O LYS A 28 -4.100 17.526 -3.873 1.00 0.00 O ATOM 441 CB LYS A 28 -3.383 15.640 -5.714 1.00 0.00 C ATOM 442 CG LYS A 28 -2.657 16.345 -6.850 1.00 0.00 C ATOM 443 CD LYS A 28 -3.380 17.614 -7.274 1.00 0.00 C ATOM 444 CE LYS A 28 -2.504 18.487 -8.158 1.00 0.00 C ATOM 445 NZ LYS A 28 -2.968 18.486 -9.573 1.00 0.00 N ATOM 0 H LYS A 28 -1.660 13.915 -3.839 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.607 16.026 -4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.545 14.598 -5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.366 16.093 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.642 16.591 -6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.573 15.671 -7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.292 17.352 -7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.680 18.176 -6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.506 19.508 -7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.475 18.132 -8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.345 19.093 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.942 17.516 -9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.941 18.849 -9.619 1.00 0.00 H new ATOM 459 N GLY A 29 -2.968 16.607 -2.159 1.00 0.00 N ATOM 460 CA GLY A 29 -3.549 17.506 -1.181 1.00 0.00 C ATOM 461 C GLY A 29 -4.846 16.972 -0.601 1.00 0.00 C ATOM 462 O GLY A 29 -5.330 17.473 0.414 1.00 0.00 O ATOM 0 H GLY A 29 -2.307 15.929 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.835 17.671 -0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.734 18.474 -1.646 1.00 0.00 H new ATOM 466 N GLN A 30 -5.411 15.953 -1.245 1.00 0.00 N ATOM 467 CA GLN A 30 -6.655 15.355 -0.784 1.00 0.00 C ATOM 468 C GLN A 30 -6.431 13.884 -0.409 1.00 0.00 C ATOM 469 O GLN A 30 -6.399 13.009 -1.271 1.00 0.00 O ATOM 470 CB GLN A 30 -7.740 15.528 -1.875 1.00 0.00 C ATOM 471 CG GLN A 30 -8.460 14.255 -2.320 1.00 0.00 C ATOM 472 CD GLN A 30 -7.796 13.588 -3.506 1.00 0.00 C ATOM 473 OE1 GLN A 30 -7.412 14.249 -4.470 1.00 0.00 O ATOM 474 NE2 GLN A 30 -7.664 12.269 -3.442 1.00 0.00 N ATOM 0 H GLN A 30 -5.025 15.527 -2.087 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.003 15.860 0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.486 16.233 -1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.276 15.983 -2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.495 13.553 -1.487 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.491 14.497 -2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.997 11.762 -2.622 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.229 11.762 -4.213 1.00 0.00 H new ATOM 483 N PRO A 31 -6.248 13.595 0.895 1.00 0.00 N ATOM 484 CA PRO A 31 -6.007 12.232 1.378 1.00 0.00 C ATOM 485 C PRO A 31 -7.166 11.282 1.106 1.00 0.00 C ATOM 486 O PRO A 31 -8.335 11.666 1.169 1.00 0.00 O ATOM 487 CB PRO A 31 -5.807 12.406 2.889 1.00 0.00 C ATOM 488 CG PRO A 31 -6.433 13.717 3.211 1.00 0.00 C ATOM 489 CD PRO A 31 -6.227 14.570 1.995 1.00 0.00 C ATOM 0 HA PRO A 31 -5.155 11.783 0.867 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.279 11.596 3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.749 12.399 3.151 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.494 13.601 3.434 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.970 14.167 4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.015 15.316 1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.281 15.110 2.037 1.00 0.00 H new ATOM 497 N MET A 32 -6.823 10.032 0.813 1.00 0.00 N ATOM 498 CA MET A 32 -7.810 8.995 0.539 1.00 0.00 C ATOM 499 C MET A 32 -7.320 7.654 1.068 1.00 0.00 C ATOM 500 O MET A 32 -6.117 7.443 1.227 1.00 0.00 O ATOM 501 CB MET A 32 -8.081 8.899 -0.965 1.00 0.00 C ATOM 502 CG MET A 32 -9.086 9.920 -1.467 1.00 0.00 C ATOM 503 SD MET A 32 -10.783 9.502 -1.022 1.00 0.00 S ATOM 504 CE MET A 32 -11.341 11.053 -0.321 1.00 0.00 C ATOM 0 H MET A 32 -5.856 9.711 0.759 1.00 0.00 H new ATOM 0 HA MET A 32 -8.740 9.257 1.044 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.143 9.030 -1.504 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.445 7.898 -1.197 1.00 0.00 H new ATOM 0 HG2 MET A 32 -8.838 10.899 -1.058 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.008 9.998 -2.551 1.00 0.00 H new ATOM 0 HE1 MET A 32 -12.413 11.001 -0.129 1.00 0.00 H new ATOM 0 HE2 MET A 32 -10.813 11.240 0.614 1.00 0.00 H new ATOM 0 HE3 MET A 32 -11.137 11.863 -1.021 1.00 0.00 H new ATOM 514 N THR A 33 -8.251 6.752 1.346 1.00 0.00 N ATOM 515 CA THR A 33 -7.901 5.437 1.863 1.00 0.00 C ATOM 516 C THR A 33 -7.581 4.468 0.733 1.00 0.00 C ATOM 517 O THR A 33 -8.412 4.222 -0.141 1.00 0.00 O ATOM 518 CB THR A 33 -9.046 4.879 2.709 1.00 0.00 C ATOM 519 OG1 THR A 33 -10.289 5.079 2.061 1.00 0.00 O ATOM 520 CG2 THR A 33 -9.136 5.502 4.085 1.00 0.00 C ATOM 0 H THR A 33 -9.252 6.906 1.223 1.00 0.00 H new ATOM 0 HA THR A 33 -7.012 5.549 2.484 1.00 0.00 H new ATOM 0 HB THR A 33 -8.828 3.817 2.826 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.197 4.874 1.107 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.970 5.060 4.631 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.209 5.319 4.628 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.294 6.576 3.988 1.00 0.00 H new ATOM 528 N PHE A 34 -6.375 3.911 0.761 1.00 0.00 N ATOM 529 CA PHE A 34 -5.957 2.957 -0.257 1.00 0.00 C ATOM 530 C PHE A 34 -5.762 1.574 0.357 1.00 0.00 C ATOM 531 O PHE A 34 -4.810 1.340 1.101 1.00 0.00 O ATOM 532 CB PHE A 34 -4.672 3.415 -0.942 1.00 0.00 C ATOM 533 CG PHE A 34 -4.825 4.721 -1.658 1.00 0.00 C ATOM 534 CD1 PHE A 34 -4.995 5.892 -0.943 1.00 0.00 C ATOM 535 CD2 PHE A 34 -4.805 4.778 -3.041 1.00 0.00 C ATOM 536 CE1 PHE A 34 -5.142 7.102 -1.590 1.00 0.00 C ATOM 537 CE2 PHE A 34 -4.951 5.987 -3.698 1.00 0.00 C ATOM 538 CZ PHE A 34 -5.120 7.151 -2.970 1.00 0.00 C ATOM 0 H PHE A 34 -5.673 4.103 1.475 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.744 2.901 -1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.882 3.506 -0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.354 2.652 -1.653 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.013 5.859 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.674 3.871 -3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.274 8.009 -1.018 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.933 6.022 -4.777 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.235 8.096 -3.480 1.00 0.00 H new ATOM 548 N ARG A 35 -6.681 0.666 0.048 1.00 0.00 N ATOM 549 CA ARG A 35 -6.631 -0.693 0.571 1.00 0.00 C ATOM 550 C ARG A 35 -5.995 -1.651 -0.437 1.00 0.00 C ATOM 551 O ARG A 35 -6.546 -1.890 -1.511 1.00 0.00 O ATOM 552 CB ARG A 35 -8.049 -1.152 0.922 1.00 0.00 C ATOM 553 CG ARG A 35 -8.196 -2.659 1.087 1.00 0.00 C ATOM 554 CD ARG A 35 -9.069 -3.009 2.282 1.00 0.00 C ATOM 555 NE ARG A 35 -9.258 -4.452 2.417 1.00 0.00 N ATOM 556 CZ ARG A 35 -9.662 -5.046 3.538 1.00 0.00 C ATOM 557 NH1 ARG A 35 -9.922 -4.326 4.622 1.00 0.00 N ATOM 558 NH2 ARG A 35 -9.807 -6.363 3.575 1.00 0.00 N ATOM 0 H ARG A 35 -7.474 0.849 -0.566 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.012 -0.700 1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.358 -0.665 1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.731 -0.815 0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.630 -3.084 0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.211 -3.110 1.211 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.614 -2.616 3.191 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.040 -2.524 2.176 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.069 -5.039 1.604 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.813 -3.312 4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.231 -4.786 5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.609 -6.921 2.745 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.116 -6.818 4.434 1.00 0.00 H new ATOM 572 N LEU A 36 -4.837 -2.203 -0.076 1.00 0.00 N ATOM 573 CA LEU A 36 -4.129 -3.143 -0.944 1.00 0.00 C ATOM 574 C LEU A 36 -2.822 -3.605 -0.302 1.00 0.00 C ATOM 575 O LEU A 36 -2.742 -4.712 0.231 1.00 0.00 O ATOM 576 CB LEU A 36 -3.847 -2.507 -2.311 1.00 0.00 C ATOM 577 CG LEU A 36 -3.796 -3.478 -3.493 1.00 0.00 C ATOM 578 CD1 LEU A 36 -2.982 -4.715 -3.144 1.00 0.00 C ATOM 579 CD2 LEU A 36 -5.202 -3.864 -3.921 1.00 0.00 C ATOM 0 H LEU A 36 -4.370 -2.016 0.811 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.769 -4.014 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.616 -1.760 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.895 -1.978 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.305 -2.977 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.960 -5.390 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.964 -4.421 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.437 -5.222 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.149 -4.555 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.717 -4.344 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.750 -2.970 -4.219 1.00 0.00 H new ATOM 900 N PRO A 56 3.535 -3.792 14.240 1.00 0.00 N ATOM 901 CA PRO A 56 4.912 -3.349 13.993 1.00 0.00 C ATOM 902 C PRO A 56 5.219 -3.028 12.534 1.00 0.00 C ATOM 903 O PRO A 56 5.862 -2.019 12.241 1.00 0.00 O ATOM 904 CB PRO A 56 5.733 -4.551 14.445 1.00 0.00 C ATOM 905 CG PRO A 56 4.940 -5.120 15.566 1.00 0.00 C ATOM 906 CD PRO A 56 3.498 -4.938 15.174 1.00 0.00 C ATOM 0 HA PRO A 56 5.123 -2.415 14.515 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.862 -5.273 13.639 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.730 -4.255 14.770 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.175 -6.173 15.718 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.160 -4.606 16.502 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.096 -5.832 14.697 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.870 -4.730 16.040 1.00 0.00 H new ATOM 914 N GLU A 57 4.802 -3.898 11.625 1.00 0.00 N ATOM 915 CA GLU A 57 5.091 -3.694 10.211 1.00 0.00 C ATOM 916 C GLU A 57 3.994 -2.927 9.478 1.00 0.00 C ATOM 917 O GLU A 57 4.221 -1.830 8.969 1.00 0.00 O ATOM 918 CB GLU A 57 5.325 -5.040 9.525 1.00 0.00 C ATOM 919 CG GLU A 57 5.784 -4.917 8.081 1.00 0.00 C ATOM 920 CD GLU A 57 4.646 -4.611 7.126 1.00 0.00 C ATOM 921 OE1 GLU A 57 3.503 -5.027 7.408 1.00 0.00 O ATOM 922 OE2 GLU A 57 4.899 -3.956 6.093 1.00 0.00 O ATOM 0 H GLU A 57 4.269 -4.742 11.836 1.00 0.00 H new ATOM 0 HA GLU A 57 5.992 -3.083 10.163 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.072 -5.600 10.088 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.402 -5.619 9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.534 -4.130 8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.267 -5.846 7.778 1.00 0.00 H new ATOM 929 N ALA A 58 2.815 -3.523 9.394 1.00 0.00 N ATOM 930 CA ALA A 58 1.698 -2.915 8.685 1.00 0.00 C ATOM 931 C ALA A 58 1.288 -1.568 9.272 1.00 0.00 C ATOM 932 O ALA A 58 0.964 -0.640 8.533 1.00 0.00 O ATOM 933 CB ALA A 58 0.517 -3.869 8.665 1.00 0.00 C ATOM 0 H ALA A 58 2.606 -4.431 9.809 1.00 0.00 H new ATOM 0 HA ALA A 58 2.030 -2.721 7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.315 -3.407 8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.803 -4.792 8.160 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.214 -4.094 9.687 1.00 0.00 H new ATOM 939 N SER A 59 1.276 -1.464 10.592 1.00 0.00 N ATOM 940 CA SER A 59 0.877 -0.221 11.242 1.00 0.00 C ATOM 941 C SER A 59 2.073 0.674 11.556 1.00 0.00 C ATOM 942 O SER A 59 2.012 1.889 11.371 1.00 0.00 O ATOM 943 CB SER A 59 0.100 -0.522 12.525 1.00 0.00 C ATOM 944 OG SER A 59 -1.105 -1.212 12.242 1.00 0.00 O ATOM 0 H SER A 59 1.535 -2.216 11.231 1.00 0.00 H new ATOM 0 HA SER A 59 0.237 0.318 10.544 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.717 -1.121 13.195 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.124 0.409 13.045 1.00 0.00 H new ATOM 0 HG SER A 59 -1.837 -0.567 12.146 1.00 0.00 H new ATOM 950 N ALA A 60 3.144 0.076 12.065 1.00 0.00 N ATOM 951 CA ALA A 60 4.335 0.831 12.441 1.00 0.00 C ATOM 952 C ALA A 60 5.346 0.985 11.304 1.00 0.00 C ATOM 953 O ALA A 60 6.036 2.000 11.227 1.00 0.00 O ATOM 954 CB ALA A 60 4.999 0.177 13.644 1.00 0.00 C ATOM 0 H ALA A 60 3.213 -0.929 12.227 1.00 0.00 H new ATOM 0 HA ALA A 60 4.000 1.838 12.692 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.888 0.744 13.922 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.301 0.163 14.481 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.284 -0.844 13.392 1.00 0.00 H new ATOM 960 N PHE A 61 5.471 -0.026 10.446 1.00 0.00 N ATOM 961 CA PHE A 61 6.448 0.028 9.357 1.00 0.00 C ATOM 962 C PHE A 61 5.879 0.638 8.078 1.00 0.00 C ATOM 963 O PHE A 61 6.629 1.147 7.244 1.00 0.00 O ATOM 964 CB PHE A 61 6.974 -1.377 9.071 1.00 0.00 C ATOM 965 CG PHE A 61 8.324 -1.409 8.424 1.00 0.00 C ATOM 966 CD1 PHE A 61 8.484 -1.026 7.104 1.00 0.00 C ATOM 967 CD2 PHE A 61 9.432 -1.832 9.138 1.00 0.00 C ATOM 968 CE1 PHE A 61 9.730 -1.062 6.506 1.00 0.00 C ATOM 969 CE2 PHE A 61 10.680 -1.871 8.546 1.00 0.00 C ATOM 970 CZ PHE A 61 10.829 -1.485 7.228 1.00 0.00 C ATOM 0 H PHE A 61 4.917 -0.882 10.481 1.00 0.00 H new ATOM 0 HA PHE A 61 7.259 0.678 9.685 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.019 -1.933 10.007 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.263 -1.895 8.427 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.627 -0.696 6.535 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.320 -2.135 10.169 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.844 -0.760 5.475 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.537 -2.203 9.113 1.00 0.00 H new ATOM 0 HZ PHE A 61 11.803 -1.514 6.763 1.00 0.00 H new ATOM 980 N THR A 62 4.564 0.577 7.910 1.00 0.00 N ATOM 981 CA THR A 62 3.934 1.117 6.708 1.00 0.00 C ATOM 982 C THR A 62 4.270 2.597 6.508 1.00 0.00 C ATOM 983 O THR A 62 4.953 2.956 5.547 1.00 0.00 O ATOM 984 CB THR A 62 2.417 0.910 6.774 1.00 0.00 C ATOM 985 OG1 THR A 62 2.079 -0.405 6.371 1.00 0.00 O ATOM 986 CG2 THR A 62 1.627 1.867 5.901 1.00 0.00 C ATOM 0 H THR A 62 3.917 0.164 8.582 1.00 0.00 H new ATOM 0 HA THR A 62 4.330 0.577 5.848 1.00 0.00 H new ATOM 0 HB THR A 62 2.151 1.097 7.814 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.296 -0.710 6.875 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.562 1.657 6.002 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.826 2.892 6.213 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.924 1.740 4.860 1.00 0.00 H new ATOM 994 N LYS A 63 3.784 3.454 7.401 1.00 0.00 N ATOM 995 CA LYS A 63 4.033 4.887 7.290 1.00 0.00 C ATOM 996 C LYS A 63 5.441 5.264 7.756 1.00 0.00 C ATOM 997 O LYS A 63 5.948 6.331 7.409 1.00 0.00 O ATOM 998 CB LYS A 63 2.976 5.665 8.077 1.00 0.00 C ATOM 999 CG LYS A 63 3.225 5.734 9.578 1.00 0.00 C ATOM 1000 CD LYS A 63 3.061 4.378 10.243 1.00 0.00 C ATOM 1001 CE LYS A 63 3.109 4.496 11.759 1.00 0.00 C ATOM 1002 NZ LYS A 63 4.197 5.406 12.213 1.00 0.00 N ATOM 0 H LYS A 63 3.218 3.183 8.205 1.00 0.00 H new ATOM 0 HA LYS A 63 3.964 5.155 6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.924 6.680 7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.003 5.206 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.232 6.109 9.762 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.533 6.445 10.028 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.112 3.935 9.941 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.849 3.706 9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.151 4.866 12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.257 3.508 12.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.480 5.152 13.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.015 5.313 11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.857 6.389 12.198 1.00 0.00 H new ATOM 1016 N LYS A 64 6.069 4.394 8.541 1.00 0.00 N ATOM 1017 CA LYS A 64 7.417 4.654 9.046 1.00 0.00 C ATOM 1018 C LYS A 64 8.351 5.114 7.929 1.00 0.00 C ATOM 1019 O LYS A 64 9.022 6.138 8.050 1.00 0.00 O ATOM 1020 CB LYS A 64 7.988 3.401 9.713 1.00 0.00 C ATOM 1021 CG LYS A 64 8.244 3.568 11.202 1.00 0.00 C ATOM 1022 CD LYS A 64 9.422 4.494 11.468 1.00 0.00 C ATOM 1023 CE LYS A 64 10.547 3.774 12.194 1.00 0.00 C ATOM 1024 NZ LYS A 64 10.469 3.968 13.669 1.00 0.00 N ATOM 0 H LYS A 64 5.669 3.505 8.842 1.00 0.00 H new ATOM 0 HA LYS A 64 7.344 5.454 9.783 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.296 2.572 9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.922 3.131 9.220 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.351 3.967 11.683 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.438 2.593 11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.794 4.892 10.524 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.090 5.345 12.063 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.504 2.709 11.965 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.507 4.140 11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.253 3.462 14.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.535 4.982 13.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.564 3.596 14.021 1.00 0.00 H new ATOM 1038 N MET A 65 8.390 4.348 6.843 1.00 0.00 N ATOM 1039 CA MET A 65 9.246 4.676 5.709 1.00 0.00 C ATOM 1040 C MET A 65 8.732 5.907 4.963 1.00 0.00 C ATOM 1041 O MET A 65 9.466 6.528 4.194 1.00 0.00 O ATOM 1042 CB MET A 65 9.338 3.486 4.752 1.00 0.00 C ATOM 1043 CG MET A 65 10.740 3.243 4.216 1.00 0.00 C ATOM 1044 SD MET A 65 10.963 1.569 3.586 1.00 0.00 S ATOM 1045 CE MET A 65 10.298 1.739 1.932 1.00 0.00 C ATOM 0 H MET A 65 7.840 3.497 6.725 1.00 0.00 H new ATOM 0 HA MET A 65 10.239 4.903 6.096 1.00 0.00 H new ATOM 0 HB2 MET A 65 8.994 2.589 5.267 1.00 0.00 H new ATOM 0 HB3 MET A 65 8.661 3.651 3.914 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.949 3.957 3.420 1.00 0.00 H new ATOM 0 HG3 MET A 65 11.465 3.428 5.009 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.430 0.803 1.389 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.236 1.978 1.990 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.822 2.539 1.409 1.00 0.00 H new ATOM 1055 N VAL A 66 7.469 6.255 5.193 1.00 0.00 N ATOM 1056 CA VAL A 66 6.865 7.409 4.539 1.00 0.00 C ATOM 1057 C VAL A 66 7.086 8.690 5.345 1.00 0.00 C ATOM 1058 O VAL A 66 6.830 9.791 4.856 1.00 0.00 O ATOM 1059 CB VAL A 66 5.351 7.203 4.331 1.00 0.00 C ATOM 1060 CG1 VAL A 66 4.744 8.383 3.585 1.00 0.00 C ATOM 1061 CG2 VAL A 66 5.090 5.901 3.590 1.00 0.00 C ATOM 0 H VAL A 66 6.846 5.754 5.827 1.00 0.00 H new ATOM 0 HA VAL A 66 7.353 7.510 3.569 1.00 0.00 H new ATOM 0 HB VAL A 66 4.873 7.142 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.675 8.217 3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.899 9.296 4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.222 8.483 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.017 5.770 3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.581 5.931 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.485 5.067 4.170 1.00 0.00 H new ATOM 1071 N GLU A 67 7.553 8.545 6.582 1.00 0.00 N ATOM 1072 CA GLU A 67 7.795 9.695 7.446 1.00 0.00 C ATOM 1073 C GLU A 67 9.246 10.170 7.363 1.00 0.00 C ATOM 1074 O GLU A 67 9.598 11.202 7.934 1.00 0.00 O ATOM 1075 CB GLU A 67 7.445 9.349 8.894 1.00 0.00 C ATOM 1076 CG GLU A 67 6.822 10.504 9.661 1.00 0.00 C ATOM 1077 CD GLU A 67 6.906 10.317 11.164 1.00 0.00 C ATOM 1078 OE1 GLU A 67 6.068 9.573 11.717 1.00 0.00 O ATOM 1079 OE2 GLU A 67 7.809 10.913 11.786 1.00 0.00 O ATOM 0 H GLU A 67 7.771 7.644 7.007 1.00 0.00 H new ATOM 0 HA GLU A 67 7.156 10.507 7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.755 8.505 8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.349 9.026 9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.324 11.431 9.385 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.777 10.608 9.369 1.00 0.00 H new ATOM 1086 N ASN A 68 10.088 9.417 6.658 1.00 0.00 N ATOM 1087 CA ASN A 68 11.496 9.779 6.523 1.00 0.00 C ATOM 1088 C ASN A 68 11.849 10.118 5.077 1.00 0.00 C ATOM 1089 O ASN A 68 12.769 10.896 4.823 1.00 0.00 O ATOM 1090 CB ASN A 68 12.388 8.643 7.026 1.00 0.00 C ATOM 1091 CG ASN A 68 12.046 7.309 6.390 1.00 0.00 C ATOM 1092 OD1 ASN A 68 11.596 7.250 5.246 1.00 0.00 O ATOM 1093 ND2 ASN A 68 12.257 6.229 7.133 1.00 0.00 N ATOM 0 H ASN A 68 9.822 8.559 6.175 1.00 0.00 H new ATOM 0 HA ASN A 68 11.669 10.667 7.131 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.430 8.884 6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.290 8.561 8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 68 12.044 5.304 6.760 1.00 0.00 H new ATOM 0 HD22 ASN A 68 12.632 6.325 8.077 1.00 0.00 H new ATOM 1100 N ALA A 69 11.122 9.529 4.133 1.00 0.00 N ATOM 1101 CA ALA A 69 11.371 9.774 2.719 1.00 0.00 C ATOM 1102 C ALA A 69 10.368 10.766 2.143 1.00 0.00 C ATOM 1103 O ALA A 69 9.188 10.746 2.493 1.00 0.00 O ATOM 1104 CB ALA A 69 11.327 8.466 1.943 1.00 0.00 C ATOM 0 H ALA A 69 10.358 8.880 4.322 1.00 0.00 H new ATOM 0 HA ALA A 69 12.365 10.211 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.515 8.663 0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.090 7.789 2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.345 8.008 2.058 1.00 0.00 H new ATOM 1110 N LYS A 70 10.844 11.629 1.252 1.00 0.00 N ATOM 1111 CA LYS A 70 9.991 12.626 0.618 1.00 0.00 C ATOM 1112 C LYS A 70 9.559 12.158 -0.767 1.00 0.00 C ATOM 1113 O LYS A 70 9.311 12.969 -1.659 1.00 0.00 O ATOM 1114 CB LYS A 70 10.726 13.964 0.513 1.00 0.00 C ATOM 1115 CG LYS A 70 11.949 13.916 -0.389 1.00 0.00 C ATOM 1116 CD LYS A 70 13.077 14.777 0.155 1.00 0.00 C ATOM 1117 CE LYS A 70 14.110 15.091 -0.918 1.00 0.00 C ATOM 1118 NZ LYS A 70 15.403 14.393 -0.671 1.00 0.00 N ATOM 0 H LYS A 70 11.819 11.658 0.952 1.00 0.00 H new ATOM 0 HA LYS A 70 9.102 12.759 1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.036 14.720 0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.032 14.280 1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.291 12.885 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.679 14.257 -1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.668 15.707 0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.560 14.263 0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.720 14.798 -1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.280 16.167 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.077 14.635 -1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.789 14.692 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.246 13.365 -0.663 1.00 0.00 H new ATOM 1132 N LYS A 71 9.477 10.843 -0.940 1.00 0.00 N ATOM 1133 CA LYS A 71 9.081 10.261 -2.215 1.00 0.00 C ATOM 1134 C LYS A 71 8.206 9.033 -2.006 1.00 0.00 C ATOM 1135 O LYS A 71 8.706 7.939 -1.756 1.00 0.00 O ATOM 1136 CB LYS A 71 10.314 9.875 -3.036 1.00 0.00 C ATOM 1137 CG LYS A 71 11.469 9.341 -2.202 1.00 0.00 C ATOM 1138 CD LYS A 71 12.801 9.539 -2.907 1.00 0.00 C ATOM 1139 CE LYS A 71 13.241 10.993 -2.870 1.00 0.00 C ATOM 1140 NZ LYS A 71 13.966 11.386 -4.109 1.00 0.00 N ATOM 0 H LYS A 71 9.680 10.160 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 71 8.508 11.013 -2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.029 9.120 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.655 10.747 -3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.488 9.848 -1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.316 8.281 -2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.560 8.916 -2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.718 9.209 -3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.368 11.633 -2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.885 11.155 -2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.249 12.385 -4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.813 10.793 -4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.343 11.256 -4.932 1.00 0.00 H new ATOM 1154 N ILE A 72 6.899 9.223 -2.122 1.00 0.00 N ATOM 1155 CA ILE A 72 5.956 8.128 -1.956 1.00 0.00 C ATOM 1156 C ILE A 72 4.990 8.070 -3.129 1.00 0.00 C ATOM 1157 O ILE A 72 3.959 8.742 -3.130 1.00 0.00 O ATOM 1158 CB ILE A 72 5.155 8.263 -0.650 1.00 0.00 C ATOM 1159 CG1 ILE A 72 6.097 8.542 0.523 1.00 0.00 C ATOM 1160 CG2 ILE A 72 4.337 7.003 -0.400 1.00 0.00 C ATOM 1161 CD1 ILE A 72 6.131 9.998 0.937 1.00 0.00 C ATOM 0 H ILE A 72 6.469 10.124 -2.330 1.00 0.00 H new ATOM 0 HA ILE A 72 6.538 7.208 -1.914 1.00 0.00 H new ATOM 0 HB ILE A 72 4.467 9.104 -0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.791 7.937 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.104 8.226 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.775 7.112 0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.645 6.848 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.005 6.145 -0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.819 10.123 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.466 10.607 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.132 10.314 1.239 1.00 0.00 H new ATOM 1173 N GLU A 73 5.330 7.267 -4.130 1.00 0.00 N ATOM 1174 CA GLU A 73 4.484 7.135 -5.310 1.00 0.00 C ATOM 1175 C GLU A 73 3.688 5.837 -5.265 1.00 0.00 C ATOM 1176 O GLU A 73 4.232 4.772 -4.974 1.00 0.00 O ATOM 1177 CB GLU A 73 5.321 7.195 -6.590 1.00 0.00 C ATOM 1178 CG GLU A 73 6.497 8.157 -6.510 1.00 0.00 C ATOM 1179 CD GLU A 73 7.451 8.007 -7.679 1.00 0.00 C ATOM 1180 OE1 GLU A 73 7.860 6.863 -7.968 1.00 0.00 O ATOM 1181 OE2 GLU A 73 7.788 9.034 -8.305 1.00 0.00 O ATOM 0 H GLU A 73 6.179 6.701 -4.149 1.00 0.00 H new ATOM 0 HA GLU A 73 3.784 7.971 -5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.695 6.196 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.678 7.490 -7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.123 9.181 -6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.038 7.987 -5.579 1.00 0.00 H new ATOM 1188 N VAL A 74 2.398 5.936 -5.554 1.00 0.00 N ATOM 1189 CA VAL A 74 1.523 4.773 -5.547 1.00 0.00 C ATOM 1190 C VAL A 74 1.207 4.322 -6.968 1.00 0.00 C ATOM 1191 O VAL A 74 0.962 5.144 -7.851 1.00 0.00 O ATOM 1192 CB VAL A 74 0.205 5.065 -4.807 1.00 0.00 C ATOM 1193 CG1 VAL A 74 0.468 5.345 -3.335 1.00 0.00 C ATOM 1194 CG2 VAL A 74 -0.527 6.232 -5.455 1.00 0.00 C ATOM 0 H VAL A 74 1.934 6.811 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 74 2.054 3.978 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.431 4.182 -4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.476 5.549 -2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.944 4.477 -2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.125 6.210 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.456 6.423 -4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.102 7.121 -5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.752 5.989 -6.493 1.00 0.00 H new ATOM 1204 N GLU A 75 1.218 3.013 -7.181 1.00 0.00 N ATOM 1205 CA GLU A 75 0.932 2.451 -8.496 1.00 0.00 C ATOM 1206 C GLU A 75 -0.563 2.196 -8.668 1.00 0.00 C ATOM 1207 O GLU A 75 -0.976 1.113 -9.083 1.00 0.00 O ATOM 1208 CB GLU A 75 1.711 1.149 -8.696 1.00 0.00 C ATOM 1209 CG GLU A 75 1.694 0.643 -10.127 1.00 0.00 C ATOM 1210 CD GLU A 75 2.615 -0.543 -10.339 1.00 0.00 C ATOM 1211 OE1 GLU A 75 3.552 -0.717 -9.533 1.00 0.00 O ATOM 1212 OE2 GLU A 75 2.397 -1.297 -11.310 1.00 0.00 O ATOM 0 H GLU A 75 1.422 2.320 -6.461 1.00 0.00 H new ATOM 0 HA GLU A 75 1.246 3.174 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.745 1.303 -8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.294 0.382 -8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.676 0.360 -10.396 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.988 1.451 -10.797 1.00 0.00 H new ATOM 1219 N PHE A 76 -1.373 3.198 -8.334 1.00 0.00 N ATOM 1220 CA PHE A 76 -2.822 3.075 -8.441 1.00 0.00 C ATOM 1221 C PHE A 76 -3.334 3.605 -9.787 1.00 0.00 C ATOM 1222 O PHE A 76 -2.732 4.498 -10.385 1.00 0.00 O ATOM 1223 CB PHE A 76 -3.482 3.797 -7.252 1.00 0.00 C ATOM 1224 CG PHE A 76 -4.154 5.103 -7.577 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -3.505 6.077 -8.321 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -5.438 5.357 -7.124 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -4.127 7.276 -8.609 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -6.064 6.554 -7.407 1.00 0.00 C ATOM 1229 CZ PHE A 76 -5.410 7.514 -8.151 1.00 0.00 C ATOM 0 H PHE A 76 -1.050 4.102 -7.988 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.094 2.020 -8.404 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.221 3.129 -6.809 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.721 3.979 -6.493 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.502 5.896 -8.679 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.956 4.609 -6.542 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.612 8.026 -9.191 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.065 6.739 -7.046 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.899 8.450 -8.376 1.00 0.00 H new ATOM 1239 N ASP A 77 -4.447 3.043 -10.256 1.00 0.00 N ATOM 1240 CA ASP A 77 -5.049 3.448 -11.525 1.00 0.00 C ATOM 1241 C ASP A 77 -6.005 4.622 -11.327 1.00 0.00 C ATOM 1242 O ASP A 77 -6.433 4.903 -10.207 1.00 0.00 O ATOM 1243 CB ASP A 77 -5.790 2.268 -12.168 1.00 0.00 C ATOM 1244 CG ASP A 77 -5.726 2.306 -13.682 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -4.614 2.465 -14.226 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -6.790 2.174 -14.324 1.00 0.00 O ATOM 0 H ASP A 77 -4.953 2.301 -9.772 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.247 3.767 -12.191 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.358 1.333 -11.811 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.833 2.280 -11.850 1.00 0.00 H new ATOM 1251 N LYS A 78 -6.333 5.308 -12.420 1.00 0.00 N ATOM 1252 CA LYS A 78 -7.234 6.457 -12.365 1.00 0.00 C ATOM 1253 C LYS A 78 -8.692 6.034 -12.561 1.00 0.00 C ATOM 1254 O LYS A 78 -9.499 6.785 -13.110 1.00 0.00 O ATOM 1255 CB LYS A 78 -6.839 7.486 -13.427 1.00 0.00 C ATOM 1256 CG LYS A 78 -6.204 8.742 -12.851 1.00 0.00 C ATOM 1257 CD LYS A 78 -7.161 9.922 -12.891 1.00 0.00 C ATOM 1258 CE LYS A 78 -6.976 10.831 -11.687 1.00 0.00 C ATOM 1259 NZ LYS A 78 -5.715 11.618 -11.774 1.00 0.00 N ATOM 0 H LYS A 78 -5.988 5.088 -13.354 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.144 6.906 -11.376 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.142 7.025 -14.127 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.725 7.766 -13.997 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.898 8.556 -11.822 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.302 8.985 -13.413 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.000 10.492 -13.806 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.188 9.558 -12.919 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.824 11.511 -11.612 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.967 10.231 -10.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.154 11.471 -10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.167 11.305 -12.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.942 12.628 -11.871 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.022 4.835 -12.096 1.00 0.00 N ATOM 1274 CA GLY A 79 -10.374 4.326 -12.210 1.00 0.00 C ATOM 1275 C GLY A 79 -10.550 3.085 -11.374 1.00 0.00 C ATOM 1276 O GLY A 79 -11.314 2.185 -11.724 1.00 0.00 O ATOM 0 H GLY A 79 -8.368 4.201 -11.637 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.083 5.089 -11.890 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.596 4.102 -13.253 1.00 0.00 H new ATOM 1280 N GLN A 80 -9.814 3.032 -10.274 1.00 0.00 N ATOM 1281 CA GLN A 80 -9.855 1.893 -9.383 1.00 0.00 C ATOM 1282 C GLN A 80 -11.038 1.959 -8.437 1.00 0.00 C ATOM 1283 O GLN A 80 -11.268 2.960 -7.758 1.00 0.00 O ATOM 1284 CB GLN A 80 -8.548 1.791 -8.613 1.00 0.00 C ATOM 1285 CG GLN A 80 -7.341 1.818 -9.530 1.00 0.00 C ATOM 1286 CD GLN A 80 -7.080 0.470 -10.180 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -7.966 -0.106 -10.809 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -5.862 -0.041 -10.032 1.00 0.00 N ATOM 0 H GLN A 80 -9.178 3.773 -9.980 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.982 0.995 -9.988 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.481 2.615 -7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.541 0.868 -8.033 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.493 2.569 -10.305 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -6.462 2.121 -8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.156 0.470 -9.502 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.634 -0.944 -10.448 1.00 0.00 H new ATOM 1297 N ARG A 81 -11.779 0.870 -8.424 1.00 0.00 N ATOM 1298 CA ARG A 81 -12.974 0.731 -7.588 1.00 0.00 C ATOM 1299 C ARG A 81 -12.754 1.296 -6.184 1.00 0.00 C ATOM 1300 O ARG A 81 -11.773 0.969 -5.515 1.00 0.00 O ATOM 1301 CB ARG A 81 -13.382 -0.742 -7.498 1.00 0.00 C ATOM 1302 CG ARG A 81 -14.560 -1.101 -8.391 1.00 0.00 C ATOM 1303 CD ARG A 81 -15.203 -2.413 -7.967 1.00 0.00 C ATOM 1304 NE ARG A 81 -14.980 -3.476 -8.945 1.00 0.00 N ATOM 1305 CZ ARG A 81 -15.679 -4.608 -8.982 1.00 0.00 C ATOM 1306 NH1 ARG A 81 -16.646 -4.828 -8.100 1.00 0.00 N ATOM 1307 NH2 ARG A 81 -15.410 -5.522 -9.903 1.00 0.00 N ATOM 0 H ARG A 81 -11.576 0.048 -8.992 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.773 1.305 -8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.529 -1.364 -7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.635 -0.978 -6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.302 -0.303 -8.355 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.224 -1.177 -9.425 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.799 -2.719 -7.002 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.274 -2.264 -7.832 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.245 -3.342 -9.640 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.857 -4.128 -7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.178 -5.697 -8.133 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.668 -5.358 -10.583 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.945 -6.390 -9.932 1.00 0.00 H new ATOM 1321 N THR A 82 -13.680 2.146 -5.747 1.00 0.00 N ATOM 1322 CA THR A 82 -13.602 2.763 -4.425 1.00 0.00 C ATOM 1323 C THR A 82 -14.676 2.200 -3.492 1.00 0.00 C ATOM 1324 O THR A 82 -15.562 1.465 -3.929 1.00 0.00 O ATOM 1325 CB THR A 82 -13.773 4.279 -4.543 1.00 0.00 C ATOM 1326 OG1 THR A 82 -15.087 4.603 -4.961 1.00 0.00 O ATOM 1327 CG2 THR A 82 -12.811 4.915 -5.521 1.00 0.00 C ATOM 0 H THR A 82 -14.496 2.424 -6.292 1.00 0.00 H new ATOM 0 HA THR A 82 -12.622 2.537 -4.004 1.00 0.00 H new ATOM 0 HB THR A 82 -13.566 4.672 -3.548 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.178 5.576 -5.029 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.986 5.990 -5.556 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.787 4.724 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.966 4.489 -6.512 1.00 0.00 H new ATOM 1421 N TRP A 88 -8.903 2.791 -2.287 1.00 0.00 N ATOM 1422 CA TRP A 88 -8.213 2.576 -3.547 1.00 0.00 C ATOM 1423 C TRP A 88 -7.044 1.615 -3.377 1.00 0.00 C ATOM 1424 O TRP A 88 -6.517 1.450 -2.286 1.00 0.00 O ATOM 1425 CB TRP A 88 -7.681 3.907 -4.075 1.00 0.00 C ATOM 1426 CG TRP A 88 -8.743 4.918 -4.381 1.00 0.00 C ATOM 1427 CD1 TRP A 88 -9.488 5.614 -3.475 1.00 0.00 C ATOM 1428 CD2 TRP A 88 -9.168 5.359 -5.675 1.00 0.00 C ATOM 1429 NE1 TRP A 88 -10.359 6.455 -4.125 1.00 0.00 N ATOM 1430 CE2 TRP A 88 -10.180 6.318 -5.477 1.00 0.00 C ATOM 1431 CE3 TRP A 88 -8.794 5.038 -6.984 1.00 0.00 C ATOM 1432 CZ2 TRP A 88 -10.821 6.955 -6.536 1.00 0.00 C ATOM 1433 CZ3 TRP A 88 -9.430 5.673 -8.034 1.00 0.00 C ATOM 1434 CH2 TRP A 88 -10.434 6.621 -7.805 1.00 0.00 C ATOM 0 HA TRP A 88 -8.925 2.145 -4.251 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -6.996 4.328 -3.339 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.102 3.720 -4.980 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.405 5.518 -2.402 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.029 7.079 -3.675 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.022 4.307 -7.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -11.596 7.687 -6.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.147 5.434 -9.049 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.913 7.098 -8.647 1.00 0.00 H new ATOM 1445 N LEU A 89 -6.625 1.000 -4.465 1.00 0.00 N ATOM 1446 CA LEU A 89 -5.491 0.085 -4.406 1.00 0.00 C ATOM 1447 C LEU A 89 -4.183 0.878 -4.357 1.00 0.00 C ATOM 1448 O LEU A 89 -4.170 2.072 -4.650 1.00 0.00 O ATOM 1449 CB LEU A 89 -5.507 -0.857 -5.611 1.00 0.00 C ATOM 1450 CG LEU A 89 -4.942 -0.288 -6.916 1.00 0.00 C ATOM 1451 CD1 LEU A 89 -5.470 1.115 -7.156 1.00 0.00 C ATOM 1452 CD2 LEU A 89 -3.420 -0.297 -6.896 1.00 0.00 C ATOM 0 H LEU A 89 -7.042 1.111 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.567 -0.517 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.942 -1.753 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.536 -1.169 -5.789 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.271 -0.924 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.059 1.504 -8.087 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.558 1.088 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.173 1.762 -6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.041 0.112 -7.833 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.063 0.311 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.064 -1.320 -6.776 1.00 0.00 H new ATOM 1464 N ALA A 90 -3.086 0.217 -3.993 1.00 0.00 N ATOM 1465 CA ALA A 90 -1.786 0.885 -3.921 1.00 0.00 C ATOM 1466 C ALA A 90 -0.762 0.044 -3.169 1.00 0.00 C ATOM 1467 O ALA A 90 -1.097 -0.687 -2.238 1.00 0.00 O ATOM 1468 CB ALA A 90 -1.912 2.251 -3.258 1.00 0.00 C ATOM 0 H ALA A 90 -3.069 -0.772 -3.745 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.438 1.015 -4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.932 2.727 -3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.594 2.874 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.300 2.130 -2.246 1.00 0.00 H new ATOM 1474 N TYR A 91 0.495 0.171 -3.578 1.00 0.00 N ATOM 1475 CA TYR A 91 1.588 -0.554 -2.946 1.00 0.00 C ATOM 1476 C TYR A 91 2.318 0.357 -1.964 1.00 0.00 C ATOM 1477 O TYR A 91 2.795 -0.090 -0.921 1.00 0.00 O ATOM 1478 CB TYR A 91 2.564 -1.074 -4.003 1.00 0.00 C ATOM 1479 CG TYR A 91 1.988 -2.159 -4.886 1.00 0.00 C ATOM 1480 CD1 TYR A 91 0.831 -1.941 -5.626 1.00 0.00 C ATOM 1481 CD2 TYR A 91 2.603 -3.400 -4.981 1.00 0.00 C ATOM 1482 CE1 TYR A 91 0.305 -2.931 -6.435 1.00 0.00 C ATOM 1483 CE2 TYR A 91 2.083 -4.394 -5.788 1.00 0.00 C ATOM 1484 CZ TYR A 91 0.934 -4.155 -6.512 1.00 0.00 C ATOM 1485 OH TYR A 91 0.413 -5.143 -7.316 1.00 0.00 O ATOM 0 H TYR A 91 0.782 0.773 -4.349 1.00 0.00 H new ATOM 0 HA TYR A 91 1.176 -1.405 -2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.884 -0.241 -4.629 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.454 -1.459 -3.504 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.335 -0.983 -5.568 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.503 -3.592 -4.415 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.594 -2.746 -7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.574 -5.354 -5.851 1.00 0.00 H new ATOM 0 HH TYR A 91 0.976 -5.943 -7.258 1.00 0.00 H new ATOM 1495 N ILE A 92 2.390 1.639 -2.310 1.00 0.00 N ATOM 1496 CA ILE A 92 3.050 2.631 -1.468 1.00 0.00 C ATOM 1497 C ILE A 92 4.513 2.278 -1.231 1.00 0.00 C ATOM 1498 O ILE A 92 4.824 1.268 -0.599 1.00 0.00 O ATOM 1499 CB ILE A 92 2.342 2.770 -0.106 1.00 0.00 C ATOM 1500 CG1 ILE A 92 0.829 2.910 -0.302 1.00 0.00 C ATOM 1501 CG2 ILE A 92 2.899 3.960 0.660 1.00 0.00 C ATOM 1502 CD1 ILE A 92 0.035 1.776 0.308 1.00 0.00 C ATOM 0 H ILE A 92 1.997 2.016 -3.172 1.00 0.00 H new ATOM 0 HA ILE A 92 2.994 3.580 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 92 2.528 1.869 0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.499 3.852 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.612 2.962 -1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.390 4.046 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.967 3.818 0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.741 4.871 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.028 1.940 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.337 0.833 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.223 1.736 1.381 1.00 0.00 H new ATOM 1514 N TYR A 93 5.412 3.119 -1.734 1.00 0.00 N ATOM 1515 CA TYR A 93 6.841 2.889 -1.563 1.00 0.00 C ATOM 1516 C TYR A 93 7.589 4.190 -1.309 1.00 0.00 C ATOM 1517 O TYR A 93 7.348 5.199 -1.971 1.00 0.00 O ATOM 1518 CB TYR A 93 7.432 2.185 -2.784 1.00 0.00 C ATOM 1519 CG TYR A 93 6.979 2.741 -4.113 1.00 0.00 C ATOM 1520 CD1 TYR A 93 7.440 3.969 -4.572 1.00 0.00 C ATOM 1521 CD2 TYR A 93 6.101 2.026 -4.916 1.00 0.00 C ATOM 1522 CE1 TYR A 93 7.037 4.467 -5.794 1.00 0.00 C ATOM 1523 CE2 TYR A 93 5.692 2.520 -6.140 1.00 0.00 C ATOM 1524 CZ TYR A 93 6.162 3.739 -6.574 1.00 0.00 C ATOM 1525 OH TYR A 93 5.759 4.233 -7.794 1.00 0.00 O ATOM 0 H TYR A 93 5.177 3.961 -2.260 1.00 0.00 H new ATOM 0 HA TYR A 93 6.960 2.246 -0.691 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.519 2.246 -2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.170 1.128 -2.739 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.124 4.542 -3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.732 1.069 -4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.405 5.422 -6.138 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.007 1.953 -6.753 1.00 0.00 H new ATOM 0 HH TYR A 93 6.378 3.929 -8.491 1.00 0.00 H new ATOM 1535 N ALA A 94 8.506 4.151 -0.350 1.00 0.00 N ATOM 1536 CA ALA A 94 9.303 5.317 -0.009 1.00 0.00 C ATOM 1537 C ALA A 94 10.729 5.165 -0.524 1.00 0.00 C ATOM 1538 O ALA A 94 11.481 4.312 -0.053 1.00 0.00 O ATOM 1539 CB ALA A 94 9.302 5.539 1.497 1.00 0.00 C ATOM 0 H ALA A 94 8.715 3.321 0.205 1.00 0.00 H new ATOM 0 HA ALA A 94 8.858 6.188 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.903 6.416 1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.280 5.695 1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.722 4.665 1.994 1.00 0.00 H new ATOM 1545 N ASP A 95 11.090 5.995 -1.500 1.00 0.00 N ATOM 1546 CA ASP A 95 12.425 5.963 -2.100 1.00 0.00 C ATOM 1547 C ASP A 95 12.532 4.846 -3.133 1.00 0.00 C ATOM 1548 O ASP A 95 13.618 4.324 -3.387 1.00 0.00 O ATOM 1549 CB ASP A 95 13.509 5.786 -1.028 1.00 0.00 C ATOM 1550 CG ASP A 95 13.234 6.604 0.219 1.00 0.00 C ATOM 1551 OD1 ASP A 95 13.294 7.849 0.138 1.00 0.00 O ATOM 1552 OD2 ASP A 95 12.960 5.999 1.276 1.00 0.00 O ATOM 0 H ASP A 95 10.472 6.704 -1.896 1.00 0.00 H new ATOM 0 HA ASP A 95 12.582 6.919 -2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.580 4.732 -0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.475 6.075 -1.442 1.00 0.00 H new ATOM 1557 N GLY A 96 11.399 4.485 -3.730 1.00 0.00 N ATOM 1558 CA GLY A 96 11.393 3.435 -4.733 1.00 0.00 C ATOM 1559 C GLY A 96 11.091 2.065 -4.154 1.00 0.00 C ATOM 1560 O GLY A 96 10.550 1.201 -4.843 1.00 0.00 O ATOM 0 H GLY A 96 10.487 4.900 -3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.652 3.673 -5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.363 3.408 -5.229 1.00 0.00 H new ATOM 1564 N LYS A 97 11.446 1.863 -2.889 1.00 0.00 N ATOM 1565 CA LYS A 97 11.213 0.583 -2.227 1.00 0.00 C ATOM 1566 C LYS A 97 9.890 0.588 -1.469 1.00 0.00 C ATOM 1567 O LYS A 97 9.603 1.510 -0.704 1.00 0.00 O ATOM 1568 CB LYS A 97 12.362 0.266 -1.268 1.00 0.00 C ATOM 1569 CG LYS A 97 12.547 1.306 -0.176 1.00 0.00 C ATOM 1570 CD LYS A 97 13.969 1.844 -0.149 1.00 0.00 C ATOM 1571 CE LYS A 97 14.426 2.142 1.271 1.00 0.00 C ATOM 1572 NZ LYS A 97 14.335 3.593 1.591 1.00 0.00 N ATOM 0 H LYS A 97 11.895 2.567 -2.303 1.00 0.00 H new ATOM 0 HA LYS A 97 11.164 -0.188 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.182 -0.705 -0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.287 0.181 -1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.849 2.128 -0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.306 0.865 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.642 1.118 -0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.027 2.752 -0.749 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.816 1.576 1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.455 1.806 1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.406 3.727 2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.111 4.101 1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.424 3.966 1.256 1.00 0.00 H new ATOM 1586 N MET A 98 9.087 -0.450 -1.686 1.00 0.00 N ATOM 1587 CA MET A 98 7.793 -0.570 -1.023 1.00 0.00 C ATOM 1588 C MET A 98 7.963 -1.009 0.428 1.00 0.00 C ATOM 1589 O MET A 98 8.862 -1.784 0.751 1.00 0.00 O ATOM 1590 CB MET A 98 6.900 -1.566 -1.767 1.00 0.00 C ATOM 1591 CG MET A 98 7.039 -1.503 -3.282 1.00 0.00 C ATOM 1592 SD MET A 98 8.064 -2.830 -3.945 1.00 0.00 S ATOM 1593 CE MET A 98 9.183 -1.903 -4.990 1.00 0.00 C ATOM 0 H MET A 98 9.310 -1.220 -2.316 1.00 0.00 H new ATOM 0 HA MET A 98 7.318 0.411 -1.035 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.139 -2.575 -1.431 1.00 0.00 H new ATOM 0 HB3 MET A 98 5.860 -1.378 -1.499 1.00 0.00 H new ATOM 0 HG2 MET A 98 6.049 -1.553 -3.736 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.470 -0.542 -3.563 1.00 0.00 H new ATOM 0 HE1 MET A 98 9.480 -2.517 -5.840 1.00 0.00 H new ATOM 0 HE2 MET A 98 8.684 -1.003 -5.349 1.00 0.00 H new ATOM 0 HE3 MET A 98 10.068 -1.623 -4.418 1.00 0.00 H new ATOM 1603 N VAL A 99 7.093 -0.507 1.299 1.00 0.00 N ATOM 1604 CA VAL A 99 7.144 -0.846 2.715 1.00 0.00 C ATOM 1605 C VAL A 99 6.643 -2.265 2.961 1.00 0.00 C ATOM 1606 O VAL A 99 7.171 -2.983 3.809 1.00 0.00 O ATOM 1607 CB VAL A 99 6.307 0.135 3.560 1.00 0.00 C ATOM 1608 CG1 VAL A 99 6.866 1.545 3.450 1.00 0.00 C ATOM 1609 CG2 VAL A 99 4.846 0.097 3.133 1.00 0.00 C ATOM 0 H VAL A 99 6.343 0.137 1.047 1.00 0.00 H new ATOM 0 HA VAL A 99 8.189 -0.775 3.018 1.00 0.00 H new ATOM 0 HB VAL A 99 6.364 -0.173 4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 99 6.263 2.224 4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.895 1.558 3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.842 1.866 2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.271 0.796 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.766 0.378 2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.453 -0.911 3.269 1.00 0.00 H new