USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 GLN : amide:sc= -2.35 K(o=-0.58,f=-1.7!) USER MOD Set 1.2: A 82 THR OG1 : rot 179:sc= 1.76 USER MOD Set 2.1: A 30 GLN : amide:sc= -2.67 K(o=-4.4,f=-7.5!) USER MOD Set 2.2: A 32 MET CE :methyl -138:sc= -1.76 (180deg=-4.76!) USER MOD Set 3.1: A 27 TYR OH : rot -31:sc= 0.774 USER MOD Set 3.2: A 78 LYS NZ :NH3+ 156:sc= 1.01 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.151) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0543 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 135:sc= 0.951 USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 1.01 (180deg=0.927) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 157:sc= -3.26! (180deg=-4.44!) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0198) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -1 USER MOD Single : A 97 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.383) USER MOD Single : A 98 MET CE :methyl 171:sc= 0 (180deg=-0.125) USER MOD ----------------------------------------------------------------- ATOM 133 N LYS A 9 2.581 6.387 -12.254 1.00 0.00 N ATOM 134 CA LYS A 9 3.089 6.585 -10.901 1.00 0.00 C ATOM 135 C LYS A 9 2.648 7.935 -10.345 1.00 0.00 C ATOM 136 O LYS A 9 2.948 8.981 -10.920 1.00 0.00 O ATOM 137 CB LYS A 9 4.617 6.494 -10.885 1.00 0.00 C ATOM 138 CG LYS A 9 5.173 5.369 -11.743 1.00 0.00 C ATOM 139 CD LYS A 9 5.037 4.022 -11.051 1.00 0.00 C ATOM 140 CE LYS A 9 3.697 3.373 -11.356 1.00 0.00 C ATOM 141 NZ LYS A 9 3.691 2.713 -12.691 1.00 0.00 N ATOM 0 HA LYS A 9 2.677 5.797 -10.270 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.032 7.441 -11.230 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.953 6.355 -9.857 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.647 5.344 -12.697 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.223 5.562 -11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.843 3.363 -11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.143 4.153 -9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.467 2.637 -10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.912 4.128 -11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.760 2.283 -12.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.886 3.420 -13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.423 1.975 -12.717 1.00 0.00 H new ATOM 155 N GLU A 10 1.937 7.905 -9.222 1.00 0.00 N ATOM 156 CA GLU A 10 1.460 9.130 -8.589 1.00 0.00 C ATOM 157 C GLU A 10 1.987 9.242 -7.161 1.00 0.00 C ATOM 158 O GLU A 10 1.984 8.265 -6.413 1.00 0.00 O ATOM 159 CB GLU A 10 -0.070 9.168 -8.584 1.00 0.00 C ATOM 160 CG GLU A 10 -0.679 9.327 -9.968 1.00 0.00 C ATOM 161 CD GLU A 10 -0.086 10.491 -10.738 1.00 0.00 C ATOM 162 OE1 GLU A 10 0.354 11.467 -10.094 1.00 0.00 O ATOM 163 OE2 GLU A 10 -0.061 10.427 -11.985 1.00 0.00 O ATOM 0 H GLU A 10 1.679 7.048 -8.733 1.00 0.00 H new ATOM 0 HA GLU A 10 1.834 9.976 -9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.447 8.250 -8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.403 9.992 -7.953 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.529 8.408 -10.534 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.755 9.470 -9.873 1.00 0.00 H new ATOM 170 N PRO A 11 2.452 10.438 -6.761 1.00 0.00 N ATOM 171 CA PRO A 11 2.983 10.667 -5.421 1.00 0.00 C ATOM 172 C PRO A 11 1.888 10.966 -4.405 1.00 0.00 C ATOM 173 O PRO A 11 1.051 11.843 -4.618 1.00 0.00 O ATOM 174 CB PRO A 11 3.873 11.888 -5.615 1.00 0.00 C ATOM 175 CG PRO A 11 3.214 12.664 -6.706 1.00 0.00 C ATOM 176 CD PRO A 11 2.500 11.663 -7.583 1.00 0.00 C ATOM 0 HA PRO A 11 3.501 9.793 -5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.946 12.475 -4.699 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.887 11.600 -5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.511 13.389 -6.295 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.951 13.225 -7.281 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.500 12.006 -7.847 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.037 11.496 -8.517 1.00 0.00 H new ATOM 184 N ALA A 12 1.904 10.235 -3.298 1.00 0.00 N ATOM 185 CA ALA A 12 0.919 10.423 -2.243 1.00 0.00 C ATOM 186 C ALA A 12 1.520 10.089 -0.884 1.00 0.00 C ATOM 187 O ALA A 12 2.072 9.007 -0.688 1.00 0.00 O ATOM 188 CB ALA A 12 -0.312 9.570 -2.511 1.00 0.00 C ATOM 0 H ALA A 12 2.590 9.505 -3.108 1.00 0.00 H new ATOM 0 HA ALA A 12 0.617 11.470 -2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.040 9.721 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.754 9.858 -3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.026 8.519 -2.547 1.00 0.00 H new ATOM 194 N THR A 13 1.423 11.029 0.050 1.00 0.00 N ATOM 195 CA THR A 13 1.974 10.832 1.384 1.00 0.00 C ATOM 196 C THR A 13 0.977 10.136 2.305 1.00 0.00 C ATOM 197 O THR A 13 -0.016 10.728 2.729 1.00 0.00 O ATOM 198 CB THR A 13 2.395 12.172 1.988 1.00 0.00 C ATOM 199 OG1 THR A 13 1.485 13.195 1.626 1.00 0.00 O ATOM 200 CG2 THR A 13 3.776 12.614 1.557 1.00 0.00 C ATOM 0 H THR A 13 0.969 11.932 -0.092 1.00 0.00 H new ATOM 0 HA THR A 13 2.849 10.189 1.288 1.00 0.00 H new ATOM 0 HB THR A 13 2.401 12.013 3.066 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.771 14.044 2.024 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.013 13.571 2.021 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.509 11.869 1.866 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.802 12.720 0.472 1.00 0.00 H new ATOM 208 N LEU A 14 1.265 8.879 2.622 1.00 0.00 N ATOM 209 CA LEU A 14 0.419 8.091 3.507 1.00 0.00 C ATOM 210 C LEU A 14 0.513 8.629 4.930 1.00 0.00 C ATOM 211 O LEU A 14 1.578 8.590 5.547 1.00 0.00 O ATOM 212 CB LEU A 14 0.852 6.625 3.470 1.00 0.00 C ATOM 213 CG LEU A 14 -0.247 5.609 3.779 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.286 4.192 3.639 1.00 0.00 C ATOM 215 CD2 LEU A 14 -0.802 5.838 5.177 1.00 0.00 C ATOM 0 H LEU A 14 2.085 8.381 2.275 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.615 8.163 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.256 6.408 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.664 6.485 4.184 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.057 5.743 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.509 3.481 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.638 4.035 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.112 4.044 4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.584 5.107 5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.002 5.729 5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.219 6.843 5.243 1.00 0.00 H new ATOM 227 N ILE A 15 -0.596 9.150 5.440 1.00 0.00 N ATOM 228 CA ILE A 15 -0.615 9.716 6.786 1.00 0.00 C ATOM 229 C ILE A 15 -0.607 8.642 7.871 1.00 0.00 C ATOM 230 O ILE A 15 0.105 8.771 8.868 1.00 0.00 O ATOM 231 CB ILE A 15 -1.833 10.637 7.001 1.00 0.00 C ATOM 232 CG1 ILE A 15 -3.138 9.857 6.831 1.00 0.00 C ATOM 233 CG2 ILE A 15 -1.783 11.812 6.037 1.00 0.00 C ATOM 234 CD1 ILE A 15 -3.560 9.096 8.070 1.00 0.00 C ATOM 0 H ILE A 15 -1.488 9.193 4.948 1.00 0.00 H new ATOM 0 HA ILE A 15 0.300 10.302 6.871 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.798 11.022 8.020 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.932 10.551 6.554 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.026 9.155 6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.649 12.454 6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.871 12.384 6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.794 11.442 5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.493 8.568 7.873 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.786 8.377 8.337 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.706 9.794 8.894 1.00 0.00 H new ATOM 246 N LYS A 16 -1.408 7.596 7.696 1.00 0.00 N ATOM 247 CA LYS A 16 -1.483 6.534 8.694 1.00 0.00 C ATOM 248 C LYS A 16 -2.216 5.306 8.164 1.00 0.00 C ATOM 249 O LYS A 16 -3.191 5.423 7.421 1.00 0.00 O ATOM 250 CB LYS A 16 -2.186 7.047 9.953 1.00 0.00 C ATOM 251 CG LYS A 16 -1.921 6.198 11.186 1.00 0.00 C ATOM 252 CD LYS A 16 -3.210 5.638 11.769 1.00 0.00 C ATOM 253 CE LYS A 16 -3.920 6.662 12.640 1.00 0.00 C ATOM 254 NZ LYS A 16 -4.366 6.076 13.934 1.00 0.00 N ATOM 0 H LYS A 16 -2.008 7.461 6.882 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.462 6.238 8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.862 8.069 10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.260 7.083 9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.252 5.378 10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.411 6.799 11.939 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.871 5.326 10.960 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.987 4.749 12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.251 7.501 12.833 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.783 7.058 12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.845 6.806 14.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.024 5.292 13.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.540 5.720 14.457 1.00 0.00 H new ATOM 268 N ALA A 17 -1.744 4.129 8.566 1.00 0.00 N ATOM 269 CA ALA A 17 -2.359 2.873 8.148 1.00 0.00 C ATOM 270 C ALA A 17 -3.490 2.489 9.098 1.00 0.00 C ATOM 271 O ALA A 17 -3.442 2.800 10.288 1.00 0.00 O ATOM 272 CB ALA A 17 -1.315 1.768 8.089 1.00 0.00 C ATOM 0 H ALA A 17 -0.938 4.019 9.181 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.779 3.008 7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.788 0.837 7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.538 2.039 7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.870 1.635 9.075 1.00 0.00 H new ATOM 278 N ILE A 18 -4.512 1.823 8.568 1.00 0.00 N ATOM 279 CA ILE A 18 -5.654 1.417 9.380 1.00 0.00 C ATOM 280 C ILE A 18 -5.599 -0.067 9.738 1.00 0.00 C ATOM 281 O ILE A 18 -5.279 -0.426 10.872 1.00 0.00 O ATOM 282 CB ILE A 18 -6.990 1.717 8.670 1.00 0.00 C ATOM 283 CG1 ILE A 18 -6.997 3.150 8.133 1.00 0.00 C ATOM 284 CG2 ILE A 18 -8.156 1.498 9.622 1.00 0.00 C ATOM 285 CD1 ILE A 18 -8.023 3.381 7.045 1.00 0.00 C ATOM 0 H ILE A 18 -4.573 1.554 7.586 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.598 2.002 10.298 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.099 1.033 7.829 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.191 3.837 8.956 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.007 3.389 7.745 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.092 1.714 9.107 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.159 0.462 9.961 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.054 2.161 10.481 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.972 4.417 6.711 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.817 2.718 6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.020 3.174 7.435 1.00 0.00 H new ATOM 297 N ASP A 19 -5.923 -0.928 8.776 1.00 0.00 N ATOM 298 CA ASP A 19 -5.919 -2.370 9.010 1.00 0.00 C ATOM 299 C ASP A 19 -4.912 -3.083 8.111 1.00 0.00 C ATOM 300 O ASP A 19 -5.115 -4.238 7.736 1.00 0.00 O ATOM 301 CB ASP A 19 -7.318 -2.945 8.779 1.00 0.00 C ATOM 302 CG ASP A 19 -7.671 -4.027 9.781 1.00 0.00 C ATOM 303 OD1 ASP A 19 -7.813 -3.704 10.979 1.00 0.00 O ATOM 304 OD2 ASP A 19 -7.807 -5.198 9.367 1.00 0.00 O ATOM 0 H ASP A 19 -6.191 -0.654 7.831 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.623 -2.536 10.046 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.053 -2.142 8.841 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.378 -3.354 7.770 1.00 0.00 H new ATOM 309 N GLY A 20 -3.828 -2.395 7.770 1.00 0.00 N ATOM 310 CA GLY A 20 -2.813 -2.993 6.921 1.00 0.00 C ATOM 311 C GLY A 20 -3.061 -2.743 5.446 1.00 0.00 C ATOM 312 O GLY A 20 -2.141 -2.395 4.707 1.00 0.00 O ATOM 0 H GLY A 20 -3.634 -1.438 8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.836 -2.594 7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.780 -4.067 7.103 1.00 0.00 H new ATOM 316 N ASP A 21 -4.307 -2.919 5.016 1.00 0.00 N ATOM 317 CA ASP A 21 -4.667 -2.707 3.620 1.00 0.00 C ATOM 318 C ASP A 21 -5.244 -1.310 3.426 1.00 0.00 C ATOM 319 O ASP A 21 -4.640 -0.466 2.764 1.00 0.00 O ATOM 320 CB ASP A 21 -5.677 -3.760 3.163 1.00 0.00 C ATOM 321 CG ASP A 21 -5.029 -5.105 2.898 1.00 0.00 C ATOM 322 OD1 ASP A 21 -4.336 -5.237 1.867 1.00 0.00 O ATOM 323 OD2 ASP A 21 -5.215 -6.026 3.721 1.00 0.00 O ATOM 0 H ASP A 21 -5.082 -3.207 5.613 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.765 -2.801 3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.448 -3.875 3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.174 -3.414 2.257 1.00 0.00 H new ATOM 328 N THR A 22 -6.408 -1.067 4.018 1.00 0.00 N ATOM 329 CA THR A 22 -7.052 0.236 3.916 1.00 0.00 C ATOM 330 C THR A 22 -6.221 1.287 4.643 1.00 0.00 C ATOM 331 O THR A 22 -6.174 1.313 5.872 1.00 0.00 O ATOM 332 CB THR A 22 -8.463 0.183 4.506 1.00 0.00 C ATOM 333 OG1 THR A 22 -9.046 -1.091 4.299 1.00 0.00 O ATOM 334 CG2 THR A 22 -9.398 1.216 3.917 1.00 0.00 C ATOM 0 H THR A 22 -6.923 -1.752 4.571 1.00 0.00 H new ATOM 0 HA THR A 22 -7.126 0.506 2.863 1.00 0.00 H new ATOM 0 HB THR A 22 -8.339 0.393 5.568 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.947 -1.105 4.685 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.381 1.123 4.379 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.002 2.214 4.104 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.486 1.056 2.842 1.00 0.00 H new ATOM 342 N VAL A 23 -5.555 2.144 3.878 1.00 0.00 N ATOM 343 CA VAL A 23 -4.716 3.185 4.457 1.00 0.00 C ATOM 344 C VAL A 23 -4.975 4.537 3.805 1.00 0.00 C ATOM 345 O VAL A 23 -5.334 4.611 2.630 1.00 0.00 O ATOM 346 CB VAL A 23 -3.222 2.841 4.308 1.00 0.00 C ATOM 347 CG1 VAL A 23 -2.896 1.545 5.034 1.00 0.00 C ATOM 348 CG2 VAL A 23 -2.837 2.748 2.837 1.00 0.00 C ATOM 0 H VAL A 23 -5.580 2.138 2.858 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.973 3.243 5.515 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.638 3.642 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.836 1.319 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.129 1.653 6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.489 0.733 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.778 2.504 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.428 1.969 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.029 3.704 2.349 1.00 0.00 H new ATOM 358 N LYS A 24 -4.778 5.605 4.571 1.00 0.00 N ATOM 359 CA LYS A 24 -4.978 6.953 4.060 1.00 0.00 C ATOM 360 C LYS A 24 -3.767 7.396 3.245 1.00 0.00 C ATOM 361 O LYS A 24 -2.632 7.056 3.570 1.00 0.00 O ATOM 362 CB LYS A 24 -5.226 7.931 5.210 1.00 0.00 C ATOM 363 CG LYS A 24 -5.293 9.382 4.765 1.00 0.00 C ATOM 364 CD LYS A 24 -6.442 9.614 3.798 1.00 0.00 C ATOM 365 CE LYS A 24 -7.766 9.760 4.531 1.00 0.00 C ATOM 366 NZ LYS A 24 -7.987 11.154 5.004 1.00 0.00 N ATOM 0 H LYS A 24 -4.481 5.562 5.546 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.855 6.949 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.160 7.667 5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.431 7.821 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.413 10.026 5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.353 9.662 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.249 10.512 3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.503 8.782 3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.581 9.467 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.787 9.080 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.778 11.170 5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.126 11.503 5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.212 11.764 4.193 1.00 0.00 H new ATOM 380 N LEU A 25 -4.017 8.147 2.180 1.00 0.00 N ATOM 381 CA LEU A 25 -2.946 8.623 1.311 1.00 0.00 C ATOM 382 C LEU A 25 -3.204 10.055 0.850 1.00 0.00 C ATOM 383 O LEU A 25 -4.172 10.307 0.139 1.00 0.00 O ATOM 384 CB LEU A 25 -2.844 7.725 0.074 1.00 0.00 C ATOM 385 CG LEU A 25 -1.809 6.598 0.138 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.405 5.297 -0.382 1.00 0.00 C ATOM 387 CD2 LEU A 25 -0.580 6.962 -0.676 1.00 0.00 C ATOM 0 H LEU A 25 -4.952 8.440 1.896 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.018 8.594 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.823 7.281 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.614 8.353 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.517 6.461 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.656 4.507 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.266 5.022 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.721 5.429 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.146 6.151 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.866 7.122 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.136 7.874 -0.277 1.00 0.00 H new ATOM 399 N MET A 26 -2.321 10.982 1.211 1.00 0.00 N ATOM 400 CA MET A 26 -2.474 12.369 0.773 1.00 0.00 C ATOM 401 C MET A 26 -2.155 12.437 -0.716 1.00 0.00 C ATOM 402 O MET A 26 -0.991 12.441 -1.113 1.00 0.00 O ATOM 403 CB MET A 26 -1.530 13.284 1.555 1.00 0.00 C ATOM 404 CG MET A 26 -2.113 14.658 1.844 1.00 0.00 C ATOM 405 SD MET A 26 -0.867 15.961 1.812 1.00 0.00 S ATOM 406 CE MET A 26 -1.633 17.185 2.871 1.00 0.00 C ATOM 0 H MET A 26 -1.504 10.804 1.796 1.00 0.00 H new ATOM 0 HA MET A 26 -3.495 12.704 0.955 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.270 12.803 2.498 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.604 13.403 0.992 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.887 14.882 1.110 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.595 14.646 2.821 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.982 18.055 2.951 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.590 17.486 2.446 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.794 16.760 3.862 1.00 0.00 H new ATOM 416 N TYR A 27 -3.200 12.443 -1.535 1.00 0.00 N ATOM 417 CA TYR A 27 -3.046 12.454 -2.983 1.00 0.00 C ATOM 418 C TYR A 27 -3.094 13.869 -3.556 1.00 0.00 C ATOM 419 O TYR A 27 -4.148 14.503 -3.591 1.00 0.00 O ATOM 420 CB TYR A 27 -4.140 11.581 -3.598 1.00 0.00 C ATOM 421 CG TYR A 27 -4.076 11.459 -5.100 1.00 0.00 C ATOM 422 CD1 TYR A 27 -4.376 12.540 -5.913 1.00 0.00 C ATOM 423 CD2 TYR A 27 -3.731 10.257 -5.704 1.00 0.00 C ATOM 424 CE1 TYR A 27 -4.335 12.434 -7.285 1.00 0.00 C ATOM 425 CE2 TYR A 27 -3.687 10.136 -7.078 1.00 0.00 C ATOM 426 CZ TYR A 27 -3.990 11.229 -7.867 1.00 0.00 C ATOM 427 OH TYR A 27 -3.948 11.118 -9.238 1.00 0.00 O ATOM 0 H TYR A 27 -4.169 12.440 -1.217 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.064 12.053 -3.233 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.078 10.584 -3.163 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.112 11.990 -3.321 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.647 13.483 -5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.493 9.402 -5.088 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.571 13.288 -7.903 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.418 9.194 -7.533 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.611 11.721 -9.635 1.00 0.00 H new ATOM 437 N LYS A 28 -1.937 14.348 -4.014 1.00 0.00 N ATOM 438 CA LYS A 28 -1.819 15.683 -4.604 1.00 0.00 C ATOM 439 C LYS A 28 -2.576 16.732 -3.789 1.00 0.00 C ATOM 440 O LYS A 28 -3.343 17.525 -4.336 1.00 0.00 O ATOM 441 CB LYS A 28 -2.323 15.665 -6.051 1.00 0.00 C ATOM 442 CG LYS A 28 -1.240 15.980 -7.072 1.00 0.00 C ATOM 443 CD LYS A 28 -1.418 17.368 -7.668 1.00 0.00 C ATOM 444 CE LYS A 28 -0.095 18.113 -7.753 1.00 0.00 C ATOM 445 NZ LYS A 28 0.478 18.074 -9.127 1.00 0.00 N ATOM 0 H LYS A 28 -1.061 13.826 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.765 15.960 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.743 14.683 -6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.132 16.388 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.261 15.910 -6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.263 15.236 -7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.854 17.284 -8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.120 17.939 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.242 19.150 -7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.614 17.674 -7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.379 18.593 -9.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.643 17.086 -9.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.187 18.516 -9.793 1.00 0.00 H new ATOM 459 N GLY A 29 -2.355 16.732 -2.479 1.00 0.00 N ATOM 460 CA GLY A 29 -3.022 17.689 -1.616 1.00 0.00 C ATOM 461 C GLY A 29 -4.407 17.236 -1.191 1.00 0.00 C ATOM 462 O GLY A 29 -4.989 17.794 -0.262 1.00 0.00 O ATOM 0 H GLY A 29 -1.727 16.087 -2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.412 17.857 -0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.101 18.645 -2.134 1.00 0.00 H new ATOM 466 N GLN A 30 -4.934 16.218 -1.866 1.00 0.00 N ATOM 467 CA GLN A 30 -6.252 15.691 -1.543 1.00 0.00 C ATOM 468 C GLN A 30 -6.134 14.214 -1.150 1.00 0.00 C ATOM 469 O GLN A 30 -6.044 13.335 -2.004 1.00 0.00 O ATOM 470 CB GLN A 30 -7.203 15.918 -2.743 1.00 0.00 C ATOM 471 CG GLN A 30 -7.877 14.674 -3.314 1.00 0.00 C ATOM 472 CD GLN A 30 -7.071 14.044 -4.429 1.00 0.00 C ATOM 473 OE1 GLN A 30 -6.300 14.721 -5.108 1.00 0.00 O ATOM 474 NE2 GLN A 30 -7.253 12.745 -4.630 1.00 0.00 N ATOM 0 H GLN A 30 -4.467 15.744 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.677 16.216 -0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.980 16.618 -2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.638 16.398 -3.542 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.023 13.945 -2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.866 14.939 -3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.903 12.224 -4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.743 12.267 -5.373 1.00 0.00 H new ATOM 483 N PRO A 31 -6.095 13.928 0.166 1.00 0.00 N ATOM 484 CA PRO A 31 -5.953 12.564 0.682 1.00 0.00 C ATOM 485 C PRO A 31 -7.074 11.622 0.263 1.00 0.00 C ATOM 486 O PRO A 31 -8.235 12.013 0.136 1.00 0.00 O ATOM 487 CB PRO A 31 -5.947 12.745 2.204 1.00 0.00 C ATOM 488 CG PRO A 31 -5.559 14.164 2.416 1.00 0.00 C ATOM 489 CD PRO A 31 -6.138 14.914 1.255 1.00 0.00 C ATOM 0 HA PRO A 31 -5.052 12.096 0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.928 12.535 2.631 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.240 12.066 2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.950 14.541 3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.475 14.273 2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.156 15.247 1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.553 15.803 1.017 1.00 0.00 H new ATOM 497 N MET A 32 -6.689 10.370 0.061 1.00 0.00 N ATOM 498 CA MET A 32 -7.599 9.307 -0.335 1.00 0.00 C ATOM 499 C MET A 32 -7.154 8.003 0.313 1.00 0.00 C ATOM 500 O MET A 32 -5.959 7.718 0.369 1.00 0.00 O ATOM 501 CB MET A 32 -7.581 9.141 -1.856 1.00 0.00 C ATOM 502 CG MET A 32 -8.430 10.155 -2.595 1.00 0.00 C ATOM 503 SD MET A 32 -8.642 9.745 -4.339 1.00 0.00 S ATOM 504 CE MET A 32 -6.959 9.338 -4.798 1.00 0.00 C ATOM 0 H MET A 32 -5.723 10.061 0.169 1.00 0.00 H new ATOM 0 HA MET A 32 -8.609 9.561 -0.013 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.552 9.218 -2.208 1.00 0.00 H new ATOM 0 HB3 MET A 32 -7.929 8.139 -2.106 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.409 10.219 -2.119 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.969 11.139 -2.511 1.00 0.00 H new ATOM 0 HE1 MET A 32 -6.734 9.769 -5.773 1.00 0.00 H new ATOM 0 HE2 MET A 32 -6.271 9.742 -4.055 1.00 0.00 H new ATOM 0 HE3 MET A 32 -6.847 8.255 -4.845 1.00 0.00 H new ATOM 514 N THR A 33 -8.095 7.197 0.779 1.00 0.00 N ATOM 515 CA THR A 33 -7.736 5.918 1.374 1.00 0.00 C ATOM 516 C THR A 33 -7.473 4.927 0.241 1.00 0.00 C ATOM 517 O THR A 33 -7.933 5.135 -0.882 1.00 0.00 O ATOM 518 CB THR A 33 -8.827 5.418 2.327 1.00 0.00 C ATOM 519 OG1 THR A 33 -9.873 6.366 2.436 1.00 0.00 O ATOM 520 CG2 THR A 33 -8.315 5.142 3.725 1.00 0.00 C ATOM 0 H THR A 33 -9.095 7.399 0.759 1.00 0.00 H new ATOM 0 HA THR A 33 -6.836 6.028 1.979 1.00 0.00 H new ATOM 0 HB THR A 33 -9.184 4.484 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.560 6.027 3.047 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.136 4.791 4.350 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.538 4.378 3.684 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.902 6.057 4.148 1.00 0.00 H new ATOM 528 N PHE A 34 -6.705 3.879 0.507 1.00 0.00 N ATOM 529 CA PHE A 34 -6.368 2.913 -0.538 1.00 0.00 C ATOM 530 C PHE A 34 -6.366 1.482 -0.011 1.00 0.00 C ATOM 531 O PHE A 34 -5.939 1.221 1.113 1.00 0.00 O ATOM 532 CB PHE A 34 -4.999 3.244 -1.141 1.00 0.00 C ATOM 533 CG PHE A 34 -5.000 4.499 -1.965 1.00 0.00 C ATOM 534 CD1 PHE A 34 -5.207 5.726 -1.368 1.00 0.00 C ATOM 535 CD2 PHE A 34 -4.804 4.448 -3.334 1.00 0.00 C ATOM 536 CE1 PHE A 34 -5.219 6.887 -2.118 1.00 0.00 C ATOM 537 CE2 PHE A 34 -4.817 5.606 -4.092 1.00 0.00 C ATOM 538 CZ PHE A 34 -5.026 6.828 -3.480 1.00 0.00 C ATOM 0 H PHE A 34 -6.307 3.675 1.423 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.136 2.984 -1.308 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.271 3.347 -0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.672 2.410 -1.762 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.362 5.780 -0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.639 3.495 -3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.380 7.840 -1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.664 5.555 -5.160 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.038 7.734 -4.068 1.00 0.00 H new ATOM 548 N ARG A 35 -6.828 0.559 -0.847 1.00 0.00 N ATOM 549 CA ARG A 35 -6.866 -0.853 -0.492 1.00 0.00 C ATOM 550 C ARG A 35 -5.899 -1.635 -1.374 1.00 0.00 C ATOM 551 O ARG A 35 -6.206 -1.946 -2.524 1.00 0.00 O ATOM 552 CB ARG A 35 -8.285 -1.406 -0.646 1.00 0.00 C ATOM 553 CG ARG A 35 -8.398 -2.891 -0.332 1.00 0.00 C ATOM 554 CD ARG A 35 -8.876 -3.689 -1.536 1.00 0.00 C ATOM 555 NE ARG A 35 -10.247 -4.164 -1.369 1.00 0.00 N ATOM 556 CZ ARG A 35 -10.805 -5.101 -2.132 1.00 0.00 C ATOM 557 NH1 ARG A 35 -10.114 -5.663 -3.116 1.00 0.00 N ATOM 558 NH2 ARG A 35 -12.057 -5.477 -1.910 1.00 0.00 N ATOM 0 H ARG A 35 -7.183 0.766 -1.780 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.565 -0.961 0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.955 -0.852 0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.625 -1.232 -1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.428 -3.269 -0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.090 -3.035 0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.814 -3.068 -2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.214 -4.541 -1.692 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.810 -3.754 -0.624 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.150 -5.377 -3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.546 -6.381 -3.698 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.592 -5.048 -1.155 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.485 -6.195 -2.494 1.00 0.00 H new ATOM 572 N LEU A 36 -4.721 -1.934 -0.832 1.00 0.00 N ATOM 573 CA LEU A 36 -3.696 -2.664 -1.575 1.00 0.00 C ATOM 574 C LEU A 36 -4.277 -3.888 -2.277 1.00 0.00 C ATOM 575 O LEU A 36 -5.436 -4.248 -2.068 1.00 0.00 O ATOM 576 CB LEU A 36 -2.557 -3.090 -0.645 1.00 0.00 C ATOM 577 CG LEU A 36 -2.098 -2.029 0.358 1.00 0.00 C ATOM 578 CD1 LEU A 36 -0.871 -2.510 1.117 1.00 0.00 C ATOM 579 CD2 LEU A 36 -1.807 -0.714 -0.351 1.00 0.00 C ATOM 0 H LEU A 36 -4.452 -1.682 0.119 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.304 -1.990 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.873 -3.975 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.703 -3.383 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.902 -1.861 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.558 -1.743 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.113 -3.426 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.062 -2.706 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.482 0.028 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.020 -0.865 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.710 -0.362 -0.849 1.00 0.00 H new ATOM 900 N PRO A 56 3.568 -4.557 13.649 1.00 0.00 N ATOM 901 CA PRO A 56 3.616 -3.147 13.244 1.00 0.00 C ATOM 902 C PRO A 56 3.737 -2.878 11.738 1.00 0.00 C ATOM 903 O PRO A 56 3.351 -1.807 11.275 1.00 0.00 O ATOM 904 CB PRO A 56 4.886 -2.631 13.942 1.00 0.00 C ATOM 905 CG PRO A 56 5.549 -3.823 14.571 1.00 0.00 C ATOM 906 CD PRO A 56 4.905 -5.044 13.981 1.00 0.00 C ATOM 0 HA PRO A 56 2.678 -2.663 13.515 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.553 -2.151 13.226 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.637 -1.884 14.696 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.621 -3.818 14.372 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.425 -3.807 15.654 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.439 -5.401 13.100 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.873 -5.871 14.691 1.00 0.00 H new ATOM 914 N GLU A 57 4.315 -3.808 10.984 1.00 0.00 N ATOM 915 CA GLU A 57 4.528 -3.600 9.544 1.00 0.00 C ATOM 916 C GLU A 57 3.324 -2.972 8.833 1.00 0.00 C ATOM 917 O GLU A 57 3.482 -2.340 7.788 1.00 0.00 O ATOM 918 CB GLU A 57 4.896 -4.914 8.849 1.00 0.00 C ATOM 919 CG GLU A 57 5.217 -4.748 7.370 1.00 0.00 C ATOM 920 CD GLU A 57 6.606 -4.191 7.131 1.00 0.00 C ATOM 921 OE1 GLU A 57 6.858 -3.035 7.529 1.00 0.00 O ATOM 922 OE2 GLU A 57 7.441 -4.910 6.542 1.00 0.00 O ATOM 0 H GLU A 57 4.644 -4.707 11.336 1.00 0.00 H new ATOM 0 HA GLU A 57 5.355 -2.893 9.470 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.757 -5.354 9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.070 -5.617 8.957 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.127 -5.714 6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.481 -4.085 6.915 1.00 0.00 H new ATOM 929 N ALA A 58 2.128 -3.159 9.374 1.00 0.00 N ATOM 930 CA ALA A 58 0.925 -2.621 8.745 1.00 0.00 C ATOM 931 C ALA A 58 0.545 -1.227 9.236 1.00 0.00 C ATOM 932 O ALA A 58 0.537 -0.275 8.464 1.00 0.00 O ATOM 933 CB ALA A 58 -0.239 -3.576 8.932 1.00 0.00 C ATOM 0 H ALA A 58 1.963 -3.674 10.239 1.00 0.00 H new ATOM 0 HA ALA A 58 1.158 -2.519 7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.129 -3.162 8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.001 -4.536 8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.427 -3.717 9.996 1.00 0.00 H new ATOM 939 N SER A 59 0.184 -1.116 10.506 1.00 0.00 N ATOM 940 CA SER A 59 -0.244 0.166 11.057 1.00 0.00 C ATOM 941 C SER A 59 0.923 0.988 11.589 1.00 0.00 C ATOM 942 O SER A 59 0.872 2.218 11.590 1.00 0.00 O ATOM 943 CB SER A 59 -1.267 -0.057 12.172 1.00 0.00 C ATOM 944 OG SER A 59 -2.567 -0.247 11.641 1.00 0.00 O ATOM 0 H SER A 59 0.178 -1.889 11.171 1.00 0.00 H new ATOM 0 HA SER A 59 -0.698 0.730 10.242 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.981 -0.927 12.763 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.268 0.800 12.846 1.00 0.00 H new ATOM 0 HG SER A 59 -3.202 -0.389 12.374 1.00 0.00 H new ATOM 950 N ALA A 60 1.959 0.315 12.064 1.00 0.00 N ATOM 951 CA ALA A 60 3.114 1.004 12.624 1.00 0.00 C ATOM 952 C ALA A 60 4.183 1.326 11.581 1.00 0.00 C ATOM 953 O ALA A 60 4.832 2.367 11.663 1.00 0.00 O ATOM 954 CB ALA A 60 3.714 0.180 13.751 1.00 0.00 C ATOM 0 H ALA A 60 2.025 -0.703 12.074 1.00 0.00 H new ATOM 0 HA ALA A 60 2.756 1.958 13.010 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.577 0.702 14.164 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.969 0.036 14.533 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.027 -0.790 13.365 1.00 0.00 H new ATOM 960 N PHE A 61 4.400 0.422 10.629 1.00 0.00 N ATOM 961 CA PHE A 61 5.435 0.623 9.620 1.00 0.00 C ATOM 962 C PHE A 61 4.935 1.339 8.364 1.00 0.00 C ATOM 963 O PHE A 61 5.624 2.207 7.827 1.00 0.00 O ATOM 964 CB PHE A 61 6.038 -0.722 9.236 1.00 0.00 C ATOM 965 CG PHE A 61 7.414 -0.620 8.657 1.00 0.00 C ATOM 966 CD1 PHE A 61 7.592 -0.347 7.313 1.00 0.00 C ATOM 967 CD2 PHE A 61 8.528 -0.797 9.458 1.00 0.00 C ATOM 968 CE1 PHE A 61 8.861 -0.252 6.775 1.00 0.00 C ATOM 969 CE2 PHE A 61 9.800 -0.704 8.928 1.00 0.00 C ATOM 970 CZ PHE A 61 9.967 -0.430 7.584 1.00 0.00 C ATOM 0 H PHE A 61 3.878 -0.449 10.535 1.00 0.00 H new ATOM 0 HA PHE A 61 6.187 1.272 10.068 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.071 -1.361 10.119 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.384 -1.210 8.513 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.730 -0.207 6.677 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.402 -1.010 10.509 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.988 -0.039 5.724 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.662 -0.845 9.563 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.960 -0.355 7.167 1.00 0.00 H new ATOM 980 N THR A 62 3.762 0.947 7.875 1.00 0.00 N ATOM 981 CA THR A 62 3.203 1.530 6.651 1.00 0.00 C ATOM 982 C THR A 62 3.408 3.047 6.571 1.00 0.00 C ATOM 983 O THR A 62 4.138 3.531 5.705 1.00 0.00 O ATOM 984 CB THR A 62 1.716 1.191 6.538 1.00 0.00 C ATOM 985 OG1 THR A 62 1.540 -0.190 6.275 1.00 0.00 O ATOM 986 CG2 THR A 62 0.999 1.955 5.445 1.00 0.00 C ATOM 0 H THR A 62 3.178 0.229 8.304 1.00 0.00 H new ATOM 0 HA THR A 62 3.744 1.092 5.813 1.00 0.00 H new ATOM 0 HB THR A 62 1.285 1.477 7.497 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.835 -0.546 6.855 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.051 1.662 5.425 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.074 3.025 5.640 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.457 1.729 4.482 1.00 0.00 H new ATOM 994 N LYS A 63 2.757 3.794 7.456 1.00 0.00 N ATOM 995 CA LYS A 63 2.874 5.247 7.450 1.00 0.00 C ATOM 996 C LYS A 63 4.223 5.716 7.997 1.00 0.00 C ATOM 997 O LYS A 63 4.643 6.845 7.741 1.00 0.00 O ATOM 998 CB LYS A 63 1.722 5.868 8.243 1.00 0.00 C ATOM 999 CG LYS A 63 1.935 5.897 9.751 1.00 0.00 C ATOM 1000 CD LYS A 63 1.996 4.498 10.341 1.00 0.00 C ATOM 1001 CE LYS A 63 2.284 4.539 11.833 1.00 0.00 C ATOM 1002 NZ LYS A 63 1.034 4.578 12.641 1.00 0.00 N ATOM 0 H LYS A 63 2.146 3.420 8.182 1.00 0.00 H new ATOM 0 HA LYS A 63 2.816 5.582 6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.564 6.888 7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.809 5.312 8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.860 6.427 9.977 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.125 6.455 10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.050 3.985 10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.770 3.921 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.870 3.664 12.113 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.891 5.415 12.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.269 4.775 13.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.409 5.326 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.549 3.660 12.575 1.00 0.00 H new ATOM 1016 N LYS A 64 4.898 4.853 8.749 1.00 0.00 N ATOM 1017 CA LYS A 64 6.195 5.199 9.324 1.00 0.00 C ATOM 1018 C LYS A 64 7.201 5.558 8.235 1.00 0.00 C ATOM 1019 O LYS A 64 7.804 6.631 8.263 1.00 0.00 O ATOM 1020 CB LYS A 64 6.732 4.039 10.165 1.00 0.00 C ATOM 1021 CG LYS A 64 6.894 4.383 11.637 1.00 0.00 C ATOM 1022 CD LYS A 64 7.968 3.531 12.294 1.00 0.00 C ATOM 1023 CE LYS A 64 8.419 4.128 13.617 1.00 0.00 C ATOM 1024 NZ LYS A 64 7.333 4.101 14.636 1.00 0.00 N ATOM 0 H LYS A 64 4.572 3.913 8.974 1.00 0.00 H new ATOM 0 HA LYS A 64 6.055 6.070 9.964 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.057 3.189 10.071 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.696 3.726 9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.152 5.437 11.739 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.945 4.235 12.153 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.585 2.524 12.460 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.823 3.440 11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.281 3.575 13.990 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.744 5.156 13.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.680 4.517 15.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.520 4.650 14.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.040 3.118 14.805 1.00 0.00 H new ATOM 1038 N MET A 65 7.380 4.653 7.278 1.00 0.00 N ATOM 1039 CA MET A 65 8.318 4.875 6.183 1.00 0.00 C ATOM 1040 C MET A 65 7.956 6.134 5.398 1.00 0.00 C ATOM 1041 O MET A 65 8.822 6.775 4.801 1.00 0.00 O ATOM 1042 CB MET A 65 8.340 3.662 5.250 1.00 0.00 C ATOM 1043 CG MET A 65 9.742 3.202 4.886 1.00 0.00 C ATOM 1044 SD MET A 65 9.744 1.907 3.631 1.00 0.00 S ATOM 1045 CE MET A 65 11.001 0.809 4.279 1.00 0.00 C ATOM 0 H MET A 65 6.889 3.760 7.238 1.00 0.00 H new ATOM 0 HA MET A 65 9.311 5.013 6.611 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.808 2.838 5.726 1.00 0.00 H new ATOM 0 HB3 MET A 65 7.798 3.906 4.337 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.317 4.054 4.524 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.244 2.836 5.781 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.849 -0.194 3.880 1.00 0.00 H new ATOM 0 HE2 MET A 65 11.986 1.171 3.985 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.934 0.781 5.367 1.00 0.00 H new ATOM 1055 N VAL A 66 6.674 6.482 5.403 1.00 0.00 N ATOM 1056 CA VAL A 66 6.198 7.662 4.693 1.00 0.00 C ATOM 1057 C VAL A 66 6.628 8.943 5.405 1.00 0.00 C ATOM 1058 O VAL A 66 6.846 9.974 4.769 1.00 0.00 O ATOM 1059 CB VAL A 66 4.662 7.648 4.558 1.00 0.00 C ATOM 1060 CG1 VAL A 66 4.179 8.827 3.727 1.00 0.00 C ATOM 1061 CG2 VAL A 66 4.194 6.333 3.953 1.00 0.00 C ATOM 0 H VAL A 66 5.945 5.962 5.892 1.00 0.00 H new ATOM 0 HA VAL A 66 6.644 7.639 3.698 1.00 0.00 H new ATOM 0 HB VAL A 66 4.230 7.741 5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.092 8.795 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.480 9.758 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.618 8.774 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.108 6.339 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.638 6.209 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.501 5.507 4.595 1.00 0.00 H new ATOM 1071 N GLU A 67 6.745 8.870 6.726 1.00 0.00 N ATOM 1072 CA GLU A 67 7.144 10.025 7.523 1.00 0.00 C ATOM 1073 C GLU A 67 8.665 10.142 7.620 1.00 0.00 C ATOM 1074 O GLU A 67 9.188 11.178 8.032 1.00 0.00 O ATOM 1075 CB GLU A 67 6.538 9.934 8.926 1.00 0.00 C ATOM 1076 CG GLU A 67 5.322 10.825 9.122 1.00 0.00 C ATOM 1077 CD GLU A 67 5.236 11.394 10.525 1.00 0.00 C ATOM 1078 OE1 GLU A 67 5.531 10.652 11.485 1.00 0.00 O ATOM 1079 OE2 GLU A 67 4.874 12.581 10.663 1.00 0.00 O ATOM 0 H GLU A 67 6.569 8.024 7.268 1.00 0.00 H new ATOM 0 HA GLU A 67 6.769 10.918 7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.256 8.900 9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.298 10.204 9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.357 11.644 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.419 10.253 8.910 1.00 0.00 H new ATOM 1086 N ASN A 68 9.374 9.080 7.247 1.00 0.00 N ATOM 1087 CA ASN A 68 10.833 9.082 7.305 1.00 0.00 C ATOM 1088 C ASN A 68 11.441 9.438 5.951 1.00 0.00 C ATOM 1089 O ASN A 68 12.540 9.987 5.881 1.00 0.00 O ATOM 1090 CB ASN A 68 11.346 7.716 7.763 1.00 0.00 C ATOM 1091 CG ASN A 68 10.940 7.394 9.187 1.00 0.00 C ATOM 1092 OD1 ASN A 68 10.613 8.287 9.969 1.00 0.00 O ATOM 1093 ND2 ASN A 68 10.958 6.112 9.532 1.00 0.00 N ATOM 0 H ASN A 68 8.965 8.211 6.903 1.00 0.00 H new ATOM 0 HA ASN A 68 11.138 9.841 8.025 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.962 6.944 7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.433 7.694 7.684 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.694 5.835 10.477 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.236 5.405 8.852 1.00 0.00 H new ATOM 1100 N ALA A 69 10.723 9.123 4.877 1.00 0.00 N ATOM 1101 CA ALA A 69 11.198 9.414 3.530 1.00 0.00 C ATOM 1102 C ALA A 69 10.405 10.553 2.901 1.00 0.00 C ATOM 1103 O ALA A 69 9.214 10.714 3.167 1.00 0.00 O ATOM 1104 CB ALA A 69 11.116 8.168 2.662 1.00 0.00 C ATOM 0 H ALA A 69 9.811 8.667 4.914 1.00 0.00 H new ATOM 0 HA ALA A 69 12.239 9.728 3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.474 8.399 1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.734 7.381 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.081 7.829 2.609 1.00 0.00 H new ATOM 1110 N LYS A 70 11.071 11.339 2.061 1.00 0.00 N ATOM 1111 CA LYS A 70 10.424 12.460 1.390 1.00 0.00 C ATOM 1112 C LYS A 70 9.993 12.074 -0.022 1.00 0.00 C ATOM 1113 O LYS A 70 9.847 12.932 -0.893 1.00 0.00 O ATOM 1114 CB LYS A 70 11.364 13.665 1.339 1.00 0.00 C ATOM 1115 CG LYS A 70 12.726 13.349 0.745 1.00 0.00 C ATOM 1116 CD LYS A 70 13.566 14.605 0.580 1.00 0.00 C ATOM 1117 CE LYS A 70 14.718 14.382 -0.387 1.00 0.00 C ATOM 1118 NZ LYS A 70 15.957 15.081 0.053 1.00 0.00 N ATOM 0 H LYS A 70 12.057 11.220 1.829 1.00 0.00 H new ATOM 0 HA LYS A 70 9.535 12.728 1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.896 14.456 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.498 14.053 2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.250 12.642 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.599 12.865 -0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.938 15.419 0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.958 14.912 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.916 13.314 -0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.434 14.736 -1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.718 14.904 -0.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.776 16.103 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.243 14.725 0.987 1.00 0.00 H new ATOM 1132 N LYS A 71 9.787 10.778 -0.242 1.00 0.00 N ATOM 1133 CA LYS A 71 9.369 10.280 -1.547 1.00 0.00 C ATOM 1134 C LYS A 71 8.433 9.087 -1.397 1.00 0.00 C ATOM 1135 O LYS A 71 8.879 7.958 -1.195 1.00 0.00 O ATOM 1136 CB LYS A 71 10.583 9.875 -2.382 1.00 0.00 C ATOM 1137 CG LYS A 71 11.573 9.003 -1.630 1.00 0.00 C ATOM 1138 CD LYS A 71 13.004 9.293 -2.054 1.00 0.00 C ATOM 1139 CE LYS A 71 13.444 10.683 -1.622 1.00 0.00 C ATOM 1140 NZ LYS A 71 14.349 11.315 -2.623 1.00 0.00 N ATOM 0 H LYS A 71 9.903 10.055 0.468 1.00 0.00 H new ATOM 0 HA LYS A 71 8.838 11.084 -2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.242 9.341 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.093 10.774 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.468 9.173 -0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.345 7.953 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.671 8.548 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.089 9.204 -3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.566 11.313 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.954 10.620 -0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.028 11.934 -2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.865 10.575 -3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.787 11.878 -3.293 1.00 0.00 H new ATOM 1154 N ILE A 72 7.136 9.344 -1.506 1.00 0.00 N ATOM 1155 CA ILE A 72 6.140 8.289 -1.390 1.00 0.00 C ATOM 1156 C ILE A 72 5.288 8.212 -2.648 1.00 0.00 C ATOM 1157 O ILE A 72 4.291 8.922 -2.780 1.00 0.00 O ATOM 1158 CB ILE A 72 5.226 8.505 -0.170 1.00 0.00 C ATOM 1159 CG1 ILE A 72 6.066 8.770 1.082 1.00 0.00 C ATOM 1160 CG2 ILE A 72 4.321 7.298 0.031 1.00 0.00 C ATOM 1161 CD1 ILE A 72 5.996 10.203 1.564 1.00 0.00 C ATOM 0 H ILE A 72 6.750 10.273 -1.674 1.00 0.00 H new ATOM 0 HA ILE A 72 6.680 7.351 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 72 4.598 9.377 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.731 8.109 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.105 8.516 0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.680 7.464 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.703 7.155 -0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.931 6.410 0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.615 10.318 2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.359 10.868 0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.963 10.456 1.805 1.00 0.00 H new ATOM 1173 N GLU A 73 5.688 7.346 -3.573 1.00 0.00 N ATOM 1174 CA GLU A 73 4.959 7.182 -4.822 1.00 0.00 C ATOM 1175 C GLU A 73 4.187 5.870 -4.829 1.00 0.00 C ATOM 1176 O GLU A 73 4.725 4.819 -4.482 1.00 0.00 O ATOM 1177 CB GLU A 73 5.920 7.232 -6.011 1.00 0.00 C ATOM 1178 CG GLU A 73 5.347 7.946 -7.225 1.00 0.00 C ATOM 1179 CD GLU A 73 6.417 8.604 -8.074 1.00 0.00 C ATOM 1180 OE1 GLU A 73 7.534 8.050 -8.155 1.00 0.00 O ATOM 1181 OE2 GLU A 73 6.138 9.672 -8.658 1.00 0.00 O ATOM 0 H GLU A 73 6.510 6.750 -3.481 1.00 0.00 H new ATOM 0 HA GLU A 73 4.247 8.002 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.838 7.733 -5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.191 6.214 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.794 7.231 -7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.635 8.702 -6.894 1.00 0.00 H new ATOM 1188 N VAL A 74 2.922 5.939 -5.222 1.00 0.00 N ATOM 1189 CA VAL A 74 2.075 4.757 -5.270 1.00 0.00 C ATOM 1190 C VAL A 74 1.892 4.270 -6.701 1.00 0.00 C ATOM 1191 O VAL A 74 1.491 5.032 -7.581 1.00 0.00 O ATOM 1192 CB VAL A 74 0.691 5.031 -4.646 1.00 0.00 C ATOM 1193 CG1 VAL A 74 0.836 5.457 -3.192 1.00 0.00 C ATOM 1194 CG2 VAL A 74 -0.063 6.086 -5.444 1.00 0.00 C ATOM 0 H VAL A 74 2.461 6.801 -5.512 1.00 0.00 H new ATOM 0 HA VAL A 74 2.578 3.983 -4.690 1.00 0.00 H new ATOM 0 HB VAL A 74 0.113 4.107 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.150 5.646 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.328 4.664 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.435 6.366 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.036 6.263 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.509 7.014 -5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.202 5.738 -6.467 1.00 0.00 H new ATOM 1204 N GLU A 75 2.178 2.993 -6.927 1.00 0.00 N ATOM 1205 CA GLU A 75 2.034 2.401 -8.252 1.00 0.00 C ATOM 1206 C GLU A 75 0.572 2.055 -8.522 1.00 0.00 C ATOM 1207 O GLU A 75 0.244 0.920 -8.870 1.00 0.00 O ATOM 1208 CB GLU A 75 2.904 1.146 -8.368 1.00 0.00 C ATOM 1209 CG GLU A 75 2.787 0.442 -9.711 1.00 0.00 C ATOM 1210 CD GLU A 75 4.137 0.109 -10.316 1.00 0.00 C ATOM 1211 OE1 GLU A 75 5.019 0.993 -10.322 1.00 0.00 O ATOM 1212 OE2 GLU A 75 4.312 -1.036 -10.783 1.00 0.00 O ATOM 0 H GLU A 75 2.511 2.348 -6.210 1.00 0.00 H new ATOM 0 HA GLU A 75 2.364 3.127 -8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.946 1.420 -8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.627 0.449 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.213 -0.476 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.230 1.075 -10.401 1.00 0.00 H new ATOM 1219 N PHE A 76 -0.306 3.037 -8.342 1.00 0.00 N ATOM 1220 CA PHE A 76 -1.731 2.832 -8.547 1.00 0.00 C ATOM 1221 C PHE A 76 -2.173 3.292 -9.937 1.00 0.00 C ATOM 1222 O PHE A 76 -1.597 4.216 -10.511 1.00 0.00 O ATOM 1223 CB PHE A 76 -2.515 3.553 -7.440 1.00 0.00 C ATOM 1224 CG PHE A 76 -3.186 4.836 -7.848 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -2.486 5.834 -8.506 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -4.523 5.042 -7.555 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -3.111 7.012 -8.867 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -5.153 6.216 -7.910 1.00 0.00 C ATOM 1229 CZ PHE A 76 -4.447 7.204 -8.569 1.00 0.00 C ATOM 0 H PHE A 76 -0.053 3.982 -8.054 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.943 1.764 -8.492 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.275 2.873 -7.056 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.833 3.766 -6.617 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.441 5.690 -8.739 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.080 4.273 -7.041 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.556 7.782 -9.382 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.196 6.363 -7.673 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.938 8.124 -8.851 1.00 0.00 H new ATOM 1239 N ASP A 77 -3.201 2.635 -10.466 1.00 0.00 N ATOM 1240 CA ASP A 77 -3.730 2.966 -11.783 1.00 0.00 C ATOM 1241 C ASP A 77 -4.645 4.183 -11.711 1.00 0.00 C ATOM 1242 O ASP A 77 -5.158 4.523 -10.644 1.00 0.00 O ATOM 1243 CB ASP A 77 -4.501 1.773 -12.356 1.00 0.00 C ATOM 1244 CG ASP A 77 -4.689 1.872 -13.858 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -3.723 1.593 -14.597 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -5.804 2.229 -14.294 1.00 0.00 O ATOM 0 H ASP A 77 -3.685 1.868 -10.000 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.890 3.201 -12.437 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.968 0.852 -12.119 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.477 1.709 -11.874 1.00 0.00 H new ATOM 1251 N LYS A 78 -4.853 4.830 -12.852 1.00 0.00 N ATOM 1252 CA LYS A 78 -5.717 6.004 -12.917 1.00 0.00 C ATOM 1253 C LYS A 78 -7.113 5.613 -13.394 1.00 0.00 C ATOM 1254 O LYS A 78 -7.815 6.405 -14.022 1.00 0.00 O ATOM 1255 CB LYS A 78 -5.115 7.058 -13.849 1.00 0.00 C ATOM 1256 CG LYS A 78 -5.089 8.456 -13.252 1.00 0.00 C ATOM 1257 CD LYS A 78 -3.750 8.757 -12.596 1.00 0.00 C ATOM 1258 CE LYS A 78 -3.258 10.152 -12.948 1.00 0.00 C ATOM 1259 NZ LYS A 78 -3.640 11.153 -11.913 1.00 0.00 N ATOM 0 H LYS A 78 -4.436 4.562 -13.744 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.798 6.429 -11.916 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.098 6.764 -14.108 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.686 7.079 -14.777 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.286 9.190 -14.033 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.886 8.553 -12.515 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.845 8.666 -11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.014 8.019 -12.915 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.174 10.138 -13.057 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.671 10.450 -13.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.984 11.959 -11.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.608 11.486 -12.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.595 10.713 -10.972 1.00 0.00 H new ATOM 1273 N GLY A 79 -7.504 4.384 -13.078 1.00 0.00 N ATOM 1274 CA GLY A 79 -8.804 3.881 -13.456 1.00 0.00 C ATOM 1275 C GLY A 79 -9.213 2.756 -12.539 1.00 0.00 C ATOM 1276 O GLY A 79 -9.834 1.780 -12.961 1.00 0.00 O ATOM 0 H GLY A 79 -6.930 3.720 -12.558 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.540 4.684 -13.410 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.780 3.529 -14.487 1.00 0.00 H new ATOM 1280 N GLN A 80 -8.834 2.897 -11.274 1.00 0.00 N ATOM 1281 CA GLN A 80 -9.127 1.895 -10.267 1.00 0.00 C ATOM 1282 C GLN A 80 -10.573 2.004 -9.804 1.00 0.00 C ATOM 1283 O GLN A 80 -11.028 3.060 -9.365 1.00 0.00 O ATOM 1284 CB GLN A 80 -8.143 2.044 -9.092 1.00 0.00 C ATOM 1285 CG GLN A 80 -8.774 2.007 -7.704 1.00 0.00 C ATOM 1286 CD GLN A 80 -9.100 0.597 -7.250 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -8.354 -0.344 -7.525 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -10.218 0.442 -6.551 1.00 0.00 N ATOM 0 H GLN A 80 -8.319 3.705 -10.923 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.001 0.902 -10.698 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.402 1.248 -9.157 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.608 2.987 -9.205 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.094 2.468 -6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.686 2.604 -7.707 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.807 1.249 -6.346 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.488 -0.484 -6.219 1.00 0.00 H new ATOM 1297 N ARG A 81 -11.282 0.895 -9.915 1.00 0.00 N ATOM 1298 CA ARG A 81 -12.684 0.835 -9.516 1.00 0.00 C ATOM 1299 C ARG A 81 -12.828 0.984 -8.005 1.00 0.00 C ATOM 1300 O ARG A 81 -12.843 -0.005 -7.273 1.00 0.00 O ATOM 1301 CB ARG A 81 -13.312 -0.484 -9.971 1.00 0.00 C ATOM 1302 CG ARG A 81 -14.813 -0.554 -9.737 1.00 0.00 C ATOM 1303 CD ARG A 81 -15.401 -1.849 -10.273 1.00 0.00 C ATOM 1304 NE ARG A 81 -16.571 -2.276 -9.509 1.00 0.00 N ATOM 1305 CZ ARG A 81 -17.132 -3.477 -9.623 1.00 0.00 C ATOM 1306 NH1 ARG A 81 -16.637 -4.371 -10.470 1.00 0.00 N ATOM 1307 NH2 ARG A 81 -18.192 -3.786 -8.888 1.00 0.00 N ATOM 0 H ARG A 81 -10.911 0.018 -10.280 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.206 1.663 -9.996 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.111 -0.626 -11.033 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.831 -1.307 -9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.020 -0.474 -8.670 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.298 0.294 -10.220 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.680 -1.715 -11.318 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.643 -2.631 -10.243 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.982 -1.615 -8.850 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.822 -4.139 -11.038 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.071 -5.290 -10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.577 -3.103 -8.236 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.622 -4.707 -8.975 1.00 0.00 H new ATOM 1321 N THR A 82 -12.934 2.226 -7.546 1.00 0.00 N ATOM 1322 CA THR A 82 -13.076 2.506 -6.121 1.00 0.00 C ATOM 1323 C THR A 82 -14.542 2.709 -5.749 1.00 0.00 C ATOM 1324 O THR A 82 -15.382 2.972 -6.610 1.00 0.00 O ATOM 1325 CB THR A 82 -12.268 3.748 -5.741 1.00 0.00 C ATOM 1326 OG1 THR A 82 -10.895 3.562 -6.035 1.00 0.00 O ATOM 1327 CG2 THR A 82 -12.382 4.111 -4.275 1.00 0.00 C ATOM 0 H THR A 82 -12.924 3.055 -8.140 1.00 0.00 H new ATOM 0 HA THR A 82 -12.694 1.647 -5.569 1.00 0.00 H new ATOM 0 HB THR A 82 -12.690 4.560 -6.332 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.398 4.374 -5.802 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.785 5.000 -4.073 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.425 4.310 -4.030 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.018 3.284 -3.666 1.00 0.00 H new ATOM 1421 N TRP A 88 -8.831 2.609 -3.123 1.00 0.00 N ATOM 1422 CA TRP A 88 -8.013 2.666 -4.319 1.00 0.00 C ATOM 1423 C TRP A 88 -6.826 1.718 -4.181 1.00 0.00 C ATOM 1424 O TRP A 88 -6.255 1.588 -3.100 1.00 0.00 O ATOM 1425 CB TRP A 88 -7.501 4.092 -4.521 1.00 0.00 C ATOM 1426 CG TRP A 88 -8.531 5.047 -5.039 1.00 0.00 C ATOM 1427 CD1 TRP A 88 -9.399 5.787 -4.291 1.00 0.00 C ATOM 1428 CD2 TRP A 88 -8.796 5.378 -6.409 1.00 0.00 C ATOM 1429 NE1 TRP A 88 -10.191 6.555 -5.108 1.00 0.00 N ATOM 1430 CE2 TRP A 88 -9.843 6.321 -6.412 1.00 0.00 C ATOM 1431 CE3 TRP A 88 -8.254 4.971 -7.634 1.00 0.00 C ATOM 1432 CZ2 TRP A 88 -10.357 6.861 -7.589 1.00 0.00 C ATOM 1433 CZ3 TRP A 88 -8.766 5.508 -8.799 1.00 0.00 C ATOM 1434 CH2 TRP A 88 -9.808 6.443 -8.770 1.00 0.00 C ATOM 0 HA TRP A 88 -8.615 2.368 -5.177 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -7.119 4.467 -3.571 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.661 4.069 -5.215 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.455 5.771 -3.213 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -10.920 7.196 -4.795 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.450 4.250 -7.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -11.160 7.583 -7.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.355 5.201 -9.750 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.186 6.842 -9.699 1.00 0.00 H new ATOM 1445 N LEU A 89 -6.444 1.069 -5.272 1.00 0.00 N ATOM 1446 CA LEU A 89 -5.309 0.151 -5.240 1.00 0.00 C ATOM 1447 C LEU A 89 -4.006 0.944 -5.238 1.00 0.00 C ATOM 1448 O LEU A 89 -3.995 2.108 -5.626 1.00 0.00 O ATOM 1449 CB LEU A 89 -5.368 -0.814 -6.438 1.00 0.00 C ATOM 1450 CG LEU A 89 -4.741 -0.337 -7.765 1.00 0.00 C ATOM 1451 CD1 LEU A 89 -4.942 1.159 -8.000 1.00 0.00 C ATOM 1452 CD2 LEU A 89 -3.262 -0.689 -7.811 1.00 0.00 C ATOM 0 H LEU A 89 -6.896 1.158 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.353 -0.445 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.876 -1.742 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.415 -1.053 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.258 -0.859 -8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.482 1.444 -8.947 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.008 1.382 -8.033 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.479 1.720 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.835 -0.346 -8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.747 -0.205 -6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.142 -1.769 -7.731 1.00 0.00 H new ATOM 1464 N ALA A 90 -2.912 0.332 -4.784 1.00 0.00 N ATOM 1465 CA ALA A 90 -1.628 1.032 -4.742 1.00 0.00 C ATOM 1466 C ALA A 90 -0.547 0.219 -4.036 1.00 0.00 C ATOM 1467 O ALA A 90 -0.834 -0.743 -3.324 1.00 0.00 O ATOM 1468 CB ALA A 90 -1.785 2.384 -4.058 1.00 0.00 C ATOM 0 H ALA A 90 -2.887 -0.630 -4.446 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.310 1.177 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.822 2.894 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.503 2.990 -4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.143 2.237 -3.039 1.00 0.00 H new ATOM 1474 N TYR A 91 0.700 0.637 -4.236 1.00 0.00 N ATOM 1475 CA TYR A 91 1.851 -0.017 -3.623 1.00 0.00 C ATOM 1476 C TYR A 91 2.746 1.023 -2.951 1.00 0.00 C ATOM 1477 O TYR A 91 3.929 1.145 -3.272 1.00 0.00 O ATOM 1478 CB TYR A 91 2.646 -0.793 -4.675 1.00 0.00 C ATOM 1479 CG TYR A 91 1.916 -2.000 -5.222 1.00 0.00 C ATOM 1480 CD1 TYR A 91 0.785 -1.852 -6.015 1.00 0.00 C ATOM 1481 CD2 TYR A 91 2.361 -3.287 -4.948 1.00 0.00 C ATOM 1482 CE1 TYR A 91 0.118 -2.952 -6.518 1.00 0.00 C ATOM 1483 CE2 TYR A 91 1.700 -4.392 -5.447 1.00 0.00 C ATOM 1484 CZ TYR A 91 0.579 -4.220 -6.232 1.00 0.00 C ATOM 1485 OH TYR A 91 -0.083 -5.318 -6.731 1.00 0.00 O ATOM 0 H TYR A 91 0.940 1.435 -4.825 1.00 0.00 H new ATOM 0 HA TYR A 91 1.494 -0.719 -2.869 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.891 -0.123 -5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.590 -1.118 -4.237 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.421 -0.861 -6.242 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.239 -3.426 -4.334 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.760 -2.820 -7.132 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.059 -5.386 -5.224 1.00 0.00 H new ATOM 0 HH TYR A 91 0.371 -6.135 -6.437 1.00 0.00 H new ATOM 1495 N ILE A 92 2.160 1.781 -2.027 1.00 0.00 N ATOM 1496 CA ILE A 92 2.876 2.835 -1.305 1.00 0.00 C ATOM 1497 C ILE A 92 4.279 2.403 -0.884 1.00 0.00 C ATOM 1498 O ILE A 92 4.455 1.366 -0.243 1.00 0.00 O ATOM 1499 CB ILE A 92 2.101 3.277 -0.047 1.00 0.00 C ATOM 1500 CG1 ILE A 92 0.627 3.522 -0.383 1.00 0.00 C ATOM 1501 CG2 ILE A 92 2.729 4.527 0.551 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -0.281 2.377 0.010 1.00 0.00 C ATOM 0 H ILE A 92 1.181 1.684 -1.757 1.00 0.00 H new ATOM 0 HA ILE A 92 2.961 3.669 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 92 2.155 2.477 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.294 4.429 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.532 3.700 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.170 4.826 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.763 4.319 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.704 5.333 -0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.309 2.620 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.027 1.472 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.215 2.213 1.086 1.00 0.00 H new ATOM 1514 N TYR A 93 5.273 3.219 -1.233 1.00 0.00 N ATOM 1515 CA TYR A 93 6.658 2.935 -0.874 1.00 0.00 C ATOM 1516 C TYR A 93 7.407 4.214 -0.528 1.00 0.00 C ATOM 1517 O TYR A 93 7.182 5.261 -1.131 1.00 0.00 O ATOM 1518 CB TYR A 93 7.387 2.195 -2.000 1.00 0.00 C ATOM 1519 CG TYR A 93 7.167 2.761 -3.381 1.00 0.00 C ATOM 1520 CD1 TYR A 93 7.639 4.021 -3.728 1.00 0.00 C ATOM 1521 CD2 TYR A 93 6.498 2.021 -4.345 1.00 0.00 C ATOM 1522 CE1 TYR A 93 7.448 4.527 -4.999 1.00 0.00 C ATOM 1523 CE2 TYR A 93 6.302 2.519 -5.618 1.00 0.00 C ATOM 1524 CZ TYR A 93 6.778 3.772 -5.941 1.00 0.00 C ATOM 1525 OH TYR A 93 6.587 4.270 -7.210 1.00 0.00 O ATOM 0 H TYR A 93 5.143 4.081 -1.763 1.00 0.00 H new ATOM 0 HA TYR A 93 6.636 2.291 0.005 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.456 2.202 -1.787 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.068 1.153 -1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.163 4.614 -2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.124 1.039 -4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.821 5.508 -5.255 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.779 1.930 -6.357 1.00 0.00 H new ATOM 0 HH TYR A 93 6.099 3.613 -7.749 1.00 0.00 H new ATOM 1535 N ALA A 94 8.302 4.117 0.448 1.00 0.00 N ATOM 1536 CA ALA A 94 9.092 5.263 0.878 1.00 0.00 C ATOM 1537 C ALA A 94 10.563 5.065 0.535 1.00 0.00 C ATOM 1538 O ALA A 94 11.175 4.072 0.927 1.00 0.00 O ATOM 1539 CB ALA A 94 8.919 5.492 2.372 1.00 0.00 C ATOM 0 H ALA A 94 8.498 3.255 0.957 1.00 0.00 H new ATOM 0 HA ALA A 94 8.735 6.145 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.515 6.351 2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.868 5.681 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.250 4.607 2.916 1.00 0.00 H new ATOM 1545 N ASP A 95 11.124 6.016 -0.204 1.00 0.00 N ATOM 1546 CA ASP A 95 12.525 5.947 -0.607 1.00 0.00 C ATOM 1547 C ASP A 95 12.752 4.803 -1.591 1.00 0.00 C ATOM 1548 O ASP A 95 13.841 4.234 -1.655 1.00 0.00 O ATOM 1549 CB ASP A 95 13.429 5.775 0.618 1.00 0.00 C ATOM 1550 CG ASP A 95 14.366 6.950 0.814 1.00 0.00 C ATOM 1551 OD1 ASP A 95 13.869 8.083 0.990 1.00 0.00 O ATOM 1552 OD2 ASP A 95 15.597 6.738 0.794 1.00 0.00 O ATOM 0 H ASP A 95 10.630 6.844 -0.537 1.00 0.00 H new ATOM 0 HA ASP A 95 12.779 6.884 -1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.811 5.654 1.508 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.014 4.862 0.509 1.00 0.00 H new ATOM 1557 N GLY A 96 11.718 4.476 -2.360 1.00 0.00 N ATOM 1558 CA GLY A 96 11.827 3.407 -3.336 1.00 0.00 C ATOM 1559 C GLY A 96 11.376 2.061 -2.795 1.00 0.00 C ATOM 1560 O GLY A 96 10.796 1.258 -3.525 1.00 0.00 O ATOM 0 H GLY A 96 10.806 4.932 -2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.229 3.659 -4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.862 3.330 -3.669 1.00 0.00 H new ATOM 1564 N LYS A 97 11.648 1.809 -1.518 1.00 0.00 N ATOM 1565 CA LYS A 97 11.268 0.545 -0.893 1.00 0.00 C ATOM 1566 C LYS A 97 9.844 0.606 -0.345 1.00 0.00 C ATOM 1567 O LYS A 97 9.480 1.542 0.366 1.00 0.00 O ATOM 1568 CB LYS A 97 12.246 0.191 0.230 1.00 0.00 C ATOM 1569 CG LYS A 97 12.372 1.271 1.292 1.00 0.00 C ATOM 1570 CD LYS A 97 13.586 2.153 1.049 1.00 0.00 C ATOM 1571 CE LYS A 97 14.259 2.547 2.354 1.00 0.00 C ATOM 1572 NZ LYS A 97 15.578 3.198 2.125 1.00 0.00 N ATOM 0 H LYS A 97 12.128 2.460 -0.897 1.00 0.00 H new ATOM 0 HA LYS A 97 11.306 -0.231 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.922 -0.736 0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.229 0.002 -0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.471 1.884 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.448 0.808 2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.299 1.626 0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.283 3.050 0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.610 3.227 2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.394 1.661 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.196 3.028 2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.018 2.800 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.443 4.222 2.000 1.00 0.00 H new ATOM 1586 N MET A 98 9.044 -0.400 -0.685 1.00 0.00 N ATOM 1587 CA MET A 98 7.658 -0.467 -0.232 1.00 0.00 C ATOM 1588 C MET A 98 7.569 -0.962 1.205 1.00 0.00 C ATOM 1589 O MET A 98 8.408 -1.737 1.662 1.00 0.00 O ATOM 1590 CB MET A 98 6.841 -1.378 -1.149 1.00 0.00 C ATOM 1591 CG MET A 98 5.348 -1.099 -1.109 1.00 0.00 C ATOM 1592 SD MET A 98 4.359 -2.541 -1.549 1.00 0.00 S ATOM 1593 CE MET A 98 2.888 -2.253 -0.568 1.00 0.00 C ATOM 0 H MET A 98 9.332 -1.182 -1.274 1.00 0.00 H new ATOM 0 HA MET A 98 7.247 0.542 -0.271 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.197 -1.262 -2.173 1.00 0.00 H new ATOM 0 HB3 MET A 98 7.016 -2.416 -0.866 1.00 0.00 H new ATOM 0 HG2 MET A 98 5.072 -0.765 -0.109 1.00 0.00 H new ATOM 0 HG3 MET A 98 5.117 -0.282 -1.793 1.00 0.00 H new ATOM 0 HE1 MET A 98 2.117 -2.970 -0.849 1.00 0.00 H new ATOM 0 HE2 MET A 98 3.126 -2.372 0.489 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.524 -1.241 -0.746 1.00 0.00 H new ATOM 1603 N VAL A 99 6.537 -0.507 1.912 1.00 0.00 N ATOM 1604 CA VAL A 99 6.324 -0.899 3.300 1.00 0.00 C ATOM 1605 C VAL A 99 6.368 -2.416 3.451 1.00 0.00 C ATOM 1606 O VAL A 99 7.009 -2.941 4.361 1.00 0.00 O ATOM 1607 CB VAL A 99 4.976 -0.369 3.828 1.00 0.00 C ATOM 1608 CG1 VAL A 99 4.922 1.147 3.708 1.00 0.00 C ATOM 1609 CG2 VAL A 99 3.814 -1.009 3.082 1.00 0.00 C ATOM 0 H VAL A 99 5.835 0.135 1.544 1.00 0.00 H new ATOM 0 HA VAL A 99 7.130 -0.459 3.888 1.00 0.00 H new ATOM 0 HB VAL A 99 4.889 -0.637 4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 99 3.965 1.508 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 99 5.731 1.587 4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.032 1.433 2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.873 -0.620 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.891 -0.776 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.844 -2.090 3.220 1.00 0.00 H new