USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 528 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 Single : A 13 LYS NZ :NH3+ 161:sc= 0.0915 (180deg=0.0249) USER MOD Single : A 16 THR OG1 : rot -87:sc= -3.97! USER MOD Single : A 17 LYS NZ :NH3+ -159:sc= -0.0892 (180deg=-0.69) USER MOD Single : A 21 ASN : amide:sc= -6.45! C(o=-6.4!,f=-7.2!) USER MOD Single : A 22 ASN :FLIP amide:sc= -6.47! C(o=-11!,f=-6.5!) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0865) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 140:sc= -0.857 (180deg=-2.21!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= -0.214 (180deg=-1.38!) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= -1.08 (180deg=-2.06!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -52:sc= 0.438 USER MOD Single : A 48 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -31:sc= 0.389 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -177:sc= 0 (180deg=-0.00774) USER MOD ----------------------------------------------------------------- ATOM 104 N CYS A 8 12.335 -1.733 9.929 1.00 0.00 N ATOM 105 CA CYS A 8 11.356 -1.751 8.805 1.00 0.00 C ATOM 106 C CYS A 8 11.077 -3.201 8.388 1.00 0.00 C ATOM 107 O CYS A 8 9.949 -3.586 8.155 1.00 0.00 O ATOM 108 CB CYS A 8 11.929 -0.966 7.617 1.00 0.00 C ATOM 109 SG CYS A 8 13.128 -1.983 6.724 1.00 0.00 S ATOM 0 HA CYS A 8 10.423 -1.287 9.126 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.124 -0.666 6.947 1.00 0.00 H new ATOM 0 HB3 CYS A 8 12.407 -0.052 7.971 1.00 0.00 H new ATOM 114 N GLU A 9 12.105 -4.003 8.282 1.00 0.00 N ATOM 115 CA GLU A 9 11.891 -5.436 7.862 1.00 0.00 C ATOM 116 C GLU A 9 10.925 -6.116 8.834 1.00 0.00 C ATOM 117 O GLU A 9 10.101 -6.919 8.444 1.00 0.00 O ATOM 118 CB GLU A 9 13.209 -6.245 7.836 1.00 0.00 C ATOM 119 CG GLU A 9 12.898 -7.679 7.401 1.00 0.00 C ATOM 120 CD GLU A 9 14.203 -8.406 7.071 1.00 0.00 C ATOM 121 OE1 GLU A 9 15.167 -8.212 7.792 1.00 0.00 O ATOM 122 OE2 GLU A 9 14.215 -9.146 6.100 1.00 0.00 O ATOM 0 H GLU A 9 13.074 -3.740 8.464 1.00 0.00 H new ATOM 0 HA GLU A 9 11.483 -5.416 6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.919 -5.787 7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.673 -6.242 8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.367 -8.204 8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.243 -7.672 6.530 1.00 0.00 H new ATOM 129 N PHE A 10 11.028 -5.813 10.098 1.00 0.00 N ATOM 130 CA PHE A 10 10.124 -6.456 11.093 1.00 0.00 C ATOM 131 C PHE A 10 8.733 -5.815 11.033 1.00 0.00 C ATOM 132 O PHE A 10 7.761 -6.381 11.494 1.00 0.00 O ATOM 133 CB PHE A 10 10.710 -6.271 12.496 1.00 0.00 C ATOM 134 CG PHE A 10 9.744 -6.809 13.526 1.00 0.00 C ATOM 135 CD1 PHE A 10 9.668 -8.186 13.764 1.00 0.00 C ATOM 136 CD2 PHE A 10 8.924 -5.928 14.243 1.00 0.00 C ATOM 137 CE1 PHE A 10 8.773 -8.684 14.719 1.00 0.00 C ATOM 138 CE2 PHE A 10 8.029 -6.426 15.198 1.00 0.00 C ATOM 139 CZ PHE A 10 7.953 -7.804 15.435 1.00 0.00 C ATOM 0 H PHE A 10 11.698 -5.149 10.485 1.00 0.00 H new ATOM 0 HA PHE A 10 10.035 -7.518 10.864 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.665 -6.790 12.573 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.905 -5.215 12.683 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.300 -8.865 13.211 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.982 -4.865 14.059 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.715 -9.747 14.903 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.397 -5.747 15.752 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.262 -8.188 16.170 1.00 0.00 H new ATOM 149 N LEU A 11 8.626 -4.637 10.478 1.00 0.00 N ATOM 150 CA LEU A 11 7.293 -3.963 10.403 1.00 0.00 C ATOM 151 C LEU A 11 6.568 -4.360 9.115 1.00 0.00 C ATOM 152 O LEU A 11 5.435 -4.799 9.144 1.00 0.00 O ATOM 153 CB LEU A 11 7.491 -2.446 10.423 1.00 0.00 C ATOM 154 CG LEU A 11 8.123 -2.015 11.754 1.00 0.00 C ATOM 155 CD1 LEU A 11 8.454 -0.520 11.690 1.00 0.00 C ATOM 156 CD2 LEU A 11 7.149 -2.284 12.920 1.00 0.00 C ATOM 0 H LEU A 11 9.401 -4.112 10.074 1.00 0.00 H new ATOM 0 HA LEU A 11 6.692 -4.272 11.258 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.130 -2.144 9.593 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.533 -1.944 10.287 1.00 0.00 H new ATOM 0 HG LEU A 11 9.034 -2.589 11.923 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.903 -0.206 12.632 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.154 -0.337 10.875 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.540 0.048 11.517 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.610 -1.974 13.858 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.229 -1.720 12.763 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.919 -3.349 12.964 1.00 0.00 H new ATOM 168 N VAL A 12 7.198 -4.199 7.984 1.00 0.00 N ATOM 169 CA VAL A 12 6.522 -4.556 6.706 1.00 0.00 C ATOM 170 C VAL A 12 6.195 -6.054 6.684 1.00 0.00 C ATOM 171 O VAL A 12 5.257 -6.472 6.044 1.00 0.00 O ATOM 172 CB VAL A 12 7.428 -4.195 5.526 1.00 0.00 C ATOM 173 CG1 VAL A 12 7.734 -2.694 5.568 1.00 0.00 C ATOM 174 CG2 VAL A 12 8.739 -4.994 5.596 1.00 0.00 C ATOM 0 H VAL A 12 8.147 -3.837 7.890 1.00 0.00 H new ATOM 0 HA VAL A 12 5.591 -3.995 6.624 1.00 0.00 H new ATOM 0 HB VAL A 12 6.919 -4.442 4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.379 -2.431 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.803 -2.131 5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.238 -2.451 6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.373 -4.727 4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.257 -4.762 6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.517 -6.061 5.561 1.00 0.00 H new ATOM 184 N LYS A 13 6.954 -6.857 7.385 1.00 0.00 N ATOM 185 CA LYS A 13 6.683 -8.330 7.418 1.00 0.00 C ATOM 186 C LYS A 13 5.579 -8.628 8.442 1.00 0.00 C ATOM 187 O LYS A 13 4.747 -9.490 8.235 1.00 0.00 O ATOM 188 CB LYS A 13 7.968 -9.060 7.813 1.00 0.00 C ATOM 189 CG LYS A 13 7.735 -10.600 7.893 1.00 0.00 C ATOM 190 CD LYS A 13 8.078 -11.131 9.293 1.00 0.00 C ATOM 191 CE LYS A 13 6.970 -10.748 10.279 1.00 0.00 C ATOM 192 NZ LYS A 13 7.222 -11.411 11.589 1.00 0.00 N ATOM 0 H LYS A 13 7.755 -6.556 7.940 1.00 0.00 H new ATOM 0 HA LYS A 13 6.355 -8.669 6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.751 -8.845 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.318 -8.691 8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.695 -10.828 7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.349 -11.105 7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.192 -12.215 9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.031 -10.719 9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.940 -9.666 10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.999 -11.050 9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.686 -10.922 12.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.919 -12.405 11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.238 -11.370 11.809 1.00 0.00 H new ATOM 206 N GLU A 14 5.558 -7.921 9.542 1.00 0.00 N ATOM 207 CA GLU A 14 4.499 -8.167 10.569 1.00 0.00 C ATOM 208 C GLU A 14 3.163 -7.635 10.044 1.00 0.00 C ATOM 209 O GLU A 14 2.164 -8.332 9.997 1.00 0.00 O ATOM 210 CB GLU A 14 4.866 -7.440 11.865 1.00 0.00 C ATOM 211 CG GLU A 14 3.923 -7.887 12.985 1.00 0.00 C ATOM 212 CD GLU A 14 4.247 -9.329 13.381 1.00 0.00 C ATOM 213 OE1 GLU A 14 5.411 -9.609 13.617 1.00 0.00 O ATOM 214 OE2 GLU A 14 3.327 -10.127 13.441 1.00 0.00 O ATOM 0 H GLU A 14 6.226 -7.186 9.774 1.00 0.00 H new ATOM 0 HA GLU A 14 4.418 -9.236 10.767 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.899 -7.657 12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.794 -6.362 11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.029 -7.229 13.848 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.887 -7.814 12.653 1.00 0.00 H new ATOM 221 N VAL A 15 3.133 -6.406 9.623 1.00 0.00 N ATOM 222 CA VAL A 15 1.866 -5.854 9.079 1.00 0.00 C ATOM 223 C VAL A 15 1.348 -6.825 8.024 1.00 0.00 C ATOM 224 O VAL A 15 0.171 -7.086 7.940 1.00 0.00 O ATOM 225 CB VAL A 15 2.120 -4.471 8.474 1.00 0.00 C ATOM 226 CG1 VAL A 15 2.944 -4.604 7.194 1.00 0.00 C ATOM 227 CG2 VAL A 15 0.780 -3.805 8.160 1.00 0.00 C ATOM 0 H VAL A 15 3.925 -5.763 9.631 1.00 0.00 H new ATOM 0 HA VAL A 15 1.123 -5.739 9.868 1.00 0.00 H new ATOM 0 HB VAL A 15 2.674 -3.860 9.187 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.120 -3.615 6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.899 -5.076 7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.401 -5.216 6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.956 -2.819 7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.226 -4.419 7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.201 -3.701 9.078 1.00 0.00 H new ATOM 237 N THR A 16 2.230 -7.392 7.248 1.00 0.00 N ATOM 238 CA THR A 16 1.790 -8.376 6.228 1.00 0.00 C ATOM 239 C THR A 16 0.982 -9.477 6.922 1.00 0.00 C ATOM 240 O THR A 16 -0.080 -9.842 6.481 1.00 0.00 O ATOM 241 CB THR A 16 3.030 -8.979 5.542 1.00 0.00 C ATOM 242 OG1 THR A 16 4.176 -8.478 6.181 1.00 0.00 O ATOM 243 CG2 THR A 16 3.057 -8.586 4.066 1.00 0.00 C ATOM 0 H THR A 16 3.234 -7.215 7.278 1.00 0.00 H new ATOM 0 HA THR A 16 1.168 -7.892 5.475 1.00 0.00 H new ATOM 0 HB THR A 16 2.999 -10.066 5.613 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.433 -7.626 5.771 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.938 -9.018 3.591 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.159 -8.959 3.574 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.093 -7.500 3.979 1.00 0.00 H new ATOM 251 N LYS A 17 1.488 -10.015 8.004 1.00 0.00 N ATOM 252 CA LYS A 17 0.744 -11.099 8.714 1.00 0.00 C ATOM 253 C LYS A 17 -0.728 -10.684 8.855 1.00 0.00 C ATOM 254 O LYS A 17 -1.622 -11.504 8.782 1.00 0.00 O ATOM 255 CB LYS A 17 1.390 -11.351 10.101 1.00 0.00 C ATOM 256 CG LYS A 17 2.139 -12.691 10.107 1.00 0.00 C ATOM 257 CD LYS A 17 2.855 -12.870 11.446 1.00 0.00 C ATOM 258 CE LYS A 17 3.624 -14.193 11.441 1.00 0.00 C ATOM 259 NZ LYS A 17 2.675 -15.318 11.213 1.00 0.00 N ATOM 0 H LYS A 17 2.379 -9.752 8.424 1.00 0.00 H new ATOM 0 HA LYS A 17 0.793 -12.027 8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.079 -10.541 10.341 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.620 -11.354 10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.440 -13.511 9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.860 -12.720 9.290 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.540 -12.040 11.618 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.132 -12.861 12.261 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.385 -14.181 10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.143 -14.328 12.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.099 -16.204 11.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.791 -15.137 11.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.471 -15.399 10.196 1.00 0.00 H new ATOM 273 N LEU A 18 -0.988 -9.411 9.029 1.00 0.00 N ATOM 274 CA LEU A 18 -2.415 -8.945 9.140 1.00 0.00 C ATOM 275 C LEU A 18 -2.896 -8.548 7.742 1.00 0.00 C ATOM 276 O LEU A 18 -3.888 -9.033 7.243 1.00 0.00 O ATOM 277 CB LEU A 18 -2.540 -7.736 10.110 1.00 0.00 C ATOM 278 CG LEU A 18 -1.264 -7.572 10.934 1.00 0.00 C ATOM 279 CD1 LEU A 18 -1.357 -6.267 11.722 1.00 0.00 C ATOM 280 CD2 LEU A 18 -1.127 -8.761 11.896 1.00 0.00 C ATOM 0 H LEU A 18 -0.284 -8.676 9.099 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.028 -9.751 9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.732 -6.826 9.542 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.392 -7.883 10.774 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.391 -7.543 10.282 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.453 -6.135 12.316 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.462 -5.431 11.030 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.223 -6.302 12.383 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.218 -8.648 12.486 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.990 -8.792 12.561 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.076 -9.688 11.324 1.00 0.00 H new ATOM 292 N ILE A 19 -2.182 -7.677 7.099 1.00 0.00 N ATOM 293 CA ILE A 19 -2.567 -7.256 5.736 1.00 0.00 C ATOM 294 C ILE A 19 -2.730 -8.521 4.881 1.00 0.00 C ATOM 295 O ILE A 19 -3.421 -8.529 3.881 1.00 0.00 O ATOM 296 CB ILE A 19 -1.431 -6.352 5.205 1.00 0.00 C ATOM 297 CG1 ILE A 19 -1.811 -4.870 5.326 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.080 -6.658 3.747 1.00 0.00 C ATOM 299 CD1 ILE A 19 -0.563 -3.991 5.124 1.00 0.00 C ATOM 0 H ILE A 19 -1.339 -7.235 7.465 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.506 -6.703 5.713 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.556 -6.562 5.821 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.568 -4.618 4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.248 -4.676 6.306 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.277 -5.997 3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.755 -7.695 3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.958 -6.500 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.840 -2.940 5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.180 -4.235 5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.145 -4.175 4.134 1.00 0.00 H new ATOM 311 N ASP A 20 -2.083 -9.586 5.273 1.00 0.00 N ATOM 312 CA ASP A 20 -2.173 -10.855 4.501 1.00 0.00 C ATOM 313 C ASP A 20 -3.641 -11.136 4.167 1.00 0.00 C ATOM 314 O ASP A 20 -4.012 -11.252 3.016 1.00 0.00 O ATOM 315 CB ASP A 20 -1.609 -12.010 5.339 1.00 0.00 C ATOM 316 CG ASP A 20 -1.887 -13.342 4.638 1.00 0.00 C ATOM 317 OD1 ASP A 20 -1.719 -13.401 3.432 1.00 0.00 O ATOM 318 OD2 ASP A 20 -2.265 -14.280 5.321 1.00 0.00 O ATOM 0 H ASP A 20 -1.491 -9.629 6.103 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.596 -10.764 3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.536 -11.879 5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.063 -12.008 6.330 1.00 0.00 H new ATOM 323 N ASN A 21 -4.486 -11.239 5.167 1.00 0.00 N ATOM 324 CA ASN A 21 -5.929 -11.506 4.897 1.00 0.00 C ATOM 325 C ASN A 21 -6.800 -10.953 6.022 1.00 0.00 C ATOM 326 O ASN A 21 -7.727 -11.597 6.473 1.00 0.00 O ATOM 327 CB ASN A 21 -6.170 -13.008 4.757 1.00 0.00 C ATOM 328 CG ASN A 21 -5.213 -13.586 3.713 1.00 0.00 C ATOM 329 OD1 ASN A 21 -4.271 -14.274 4.051 1.00 0.00 O ATOM 330 ND2 ASN A 21 -5.418 -13.335 2.449 1.00 0.00 N ATOM 0 H ASN A 21 -4.237 -11.150 6.152 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.198 -11.008 3.966 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.019 -13.502 5.717 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.202 -13.195 4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.787 -13.717 1.744 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.209 -12.757 2.166 1.00 0.00 H new ATOM 337 N ASN A 22 -6.535 -9.751 6.457 1.00 0.00 N ATOM 338 CA ASN A 22 -7.368 -9.130 7.528 1.00 0.00 C ATOM 339 C ASN A 22 -8.344 -8.167 6.859 1.00 0.00 C ATOM 340 O ASN A 22 -9.526 -8.160 7.145 1.00 0.00 O ATOM 341 CB ASN A 22 -6.468 -8.374 8.500 1.00 0.00 C ATOM 342 CG ASN A 22 -5.591 -9.375 9.251 1.00 0.00 C ATOM 343 OD1 ASN A 22 -5.157 -10.442 8.631 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -5.300 -9.191 10.415 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.772 -9.168 6.114 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.913 -9.892 8.085 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.846 -7.661 7.959 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.072 -7.801 9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.638 -8.360 10.900 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.718 -9.868 10.908 1.00 0.00 H new ATOM 351 N LYS A 23 -7.851 -7.374 5.942 1.00 0.00 N ATOM 352 CA LYS A 23 -8.725 -6.416 5.199 1.00 0.00 C ATOM 353 C LYS A 23 -8.871 -6.923 3.760 1.00 0.00 C ATOM 354 O LYS A 23 -7.904 -7.068 3.039 1.00 0.00 O ATOM 355 CB LYS A 23 -8.088 -5.015 5.234 1.00 0.00 C ATOM 356 CG LYS A 23 -6.774 -4.983 4.415 1.00 0.00 C ATOM 357 CD LYS A 23 -7.045 -4.453 2.992 1.00 0.00 C ATOM 358 CE LYS A 23 -5.998 -4.999 2.017 1.00 0.00 C ATOM 359 NZ LYS A 23 -4.643 -4.532 2.425 1.00 0.00 N ATOM 0 H LYS A 23 -6.867 -7.349 5.673 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.712 -6.349 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.789 -4.283 4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.885 -4.730 6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.042 -4.348 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.345 -5.984 4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.043 -4.750 2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.020 -3.363 2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.030 -6.088 2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.220 -4.663 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.964 -4.727 1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.670 -3.509 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.348 -5.033 3.287 1.00 0.00 H new ATOM 373 N THR A 24 -10.069 -7.228 3.342 1.00 0.00 N ATOM 374 CA THR A 24 -10.265 -7.756 1.959 1.00 0.00 C ATOM 375 C THR A 24 -10.314 -6.604 0.956 1.00 0.00 C ATOM 376 O THR A 24 -10.021 -5.472 1.282 1.00 0.00 O ATOM 377 CB THR A 24 -11.573 -8.544 1.900 1.00 0.00 C ATOM 378 OG1 THR A 24 -12.646 -7.715 2.327 1.00 0.00 O ATOM 379 CG2 THR A 24 -11.472 -9.765 2.816 1.00 0.00 C ATOM 0 H THR A 24 -10.920 -7.135 3.896 1.00 0.00 H new ATOM 0 HA THR A 24 -9.430 -8.409 1.704 1.00 0.00 H new ATOM 0 HB THR A 24 -11.755 -8.872 0.877 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.485 -8.220 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.404 -10.328 2.775 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.650 -10.400 2.487 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.290 -9.438 3.840 1.00 0.00 H new ATOM 387 N GLU A 25 -10.676 -6.892 -0.271 1.00 0.00 N ATOM 388 CA GLU A 25 -10.740 -5.823 -1.319 1.00 0.00 C ATOM 389 C GLU A 25 -12.190 -5.398 -1.545 1.00 0.00 C ATOM 390 O GLU A 25 -12.456 -4.373 -2.142 1.00 0.00 O ATOM 391 CB GLU A 25 -10.170 -6.357 -2.631 1.00 0.00 C ATOM 392 CG GLU A 25 -8.818 -7.024 -2.369 1.00 0.00 C ATOM 393 CD GLU A 25 -8.204 -7.471 -3.697 1.00 0.00 C ATOM 394 OE1 GLU A 25 -8.874 -8.182 -4.429 1.00 0.00 O ATOM 395 OE2 GLU A 25 -7.072 -7.098 -3.960 1.00 0.00 O ATOM 0 H GLU A 25 -10.931 -7.825 -0.594 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.158 -4.965 -0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.861 -7.074 -3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.053 -5.543 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.149 -6.328 -1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.945 -7.881 -1.708 1.00 0.00 H new ATOM 402 N LYS A 26 -13.132 -6.160 -1.066 1.00 0.00 N ATOM 403 CA LYS A 26 -14.552 -5.774 -1.251 1.00 0.00 C ATOM 404 C LYS A 26 -14.839 -4.647 -0.276 1.00 0.00 C ATOM 405 O LYS A 26 -15.550 -3.706 -0.571 1.00 0.00 O ATOM 406 CB LYS A 26 -15.457 -6.972 -0.949 1.00 0.00 C ATOM 407 CG LYS A 26 -15.217 -8.082 -1.989 1.00 0.00 C ATOM 408 CD LYS A 26 -15.634 -9.450 -1.417 1.00 0.00 C ATOM 409 CE LYS A 26 -14.472 -10.069 -0.628 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.888 -11.394 -0.088 1.00 0.00 N ATOM 0 H LYS A 26 -12.978 -7.030 -0.556 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.741 -5.455 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.254 -7.350 0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.502 -6.664 -0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -15.786 -7.870 -2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.164 -8.104 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.502 -9.332 -0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.930 -10.117 -2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.601 -10.185 -1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.179 -9.408 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.101 -11.814 0.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.707 -11.271 0.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.147 -12.024 -0.874 1.00 0.00 H new ATOM 424 N GLU A 27 -14.258 -4.731 0.886 1.00 0.00 N ATOM 425 CA GLU A 27 -14.454 -3.669 1.893 1.00 0.00 C ATOM 426 C GLU A 27 -13.730 -2.410 1.406 1.00 0.00 C ATOM 427 O GLU A 27 -14.098 -1.298 1.730 1.00 0.00 O ATOM 428 CB GLU A 27 -13.874 -4.138 3.234 1.00 0.00 C ATOM 429 CG GLU A 27 -13.736 -2.953 4.197 1.00 0.00 C ATOM 430 CD GLU A 27 -13.583 -3.468 5.630 1.00 0.00 C ATOM 431 OE1 GLU A 27 -14.480 -4.152 6.092 1.00 0.00 O ATOM 432 OE2 GLU A 27 -12.570 -3.168 6.241 1.00 0.00 O ATOM 0 H GLU A 27 -13.652 -5.498 1.178 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.513 -3.450 2.029 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.521 -4.898 3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.900 -4.601 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.871 -2.348 3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.612 -2.308 4.124 1.00 0.00 H new ATOM 439 N ILE A 28 -12.693 -2.589 0.633 1.00 0.00 N ATOM 440 CA ILE A 28 -11.920 -1.440 0.116 1.00 0.00 C ATOM 441 C ILE A 28 -12.623 -0.829 -1.090 1.00 0.00 C ATOM 442 O ILE A 28 -13.165 0.257 -1.017 1.00 0.00 O ATOM 443 CB ILE A 28 -10.549 -1.946 -0.326 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.817 -2.604 0.862 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.733 -0.787 -0.902 1.00 0.00 C ATOM 446 CD1 ILE A 28 -9.182 -1.547 1.767 1.00 0.00 C ATOM 0 H ILE A 28 -12.349 -3.502 0.337 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.828 -0.685 0.896 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.674 -2.700 -1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.519 -3.207 1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.047 -3.280 0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.755 -1.151 -1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.256 -0.365 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.606 -0.018 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.672 -2.037 2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.463 -0.962 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.958 -0.888 2.156 1.00 0.00 H new ATOM 458 N LEU A 29 -12.601 -1.510 -2.206 1.00 0.00 N ATOM 459 CA LEU A 29 -13.251 -0.964 -3.429 1.00 0.00 C ATOM 460 C LEU A 29 -14.618 -0.386 -3.062 1.00 0.00 C ATOM 461 O LEU A 29 -15.155 0.457 -3.754 1.00 0.00 O ATOM 462 CB LEU A 29 -13.410 -2.080 -4.467 1.00 0.00 C ATOM 463 CG LEU A 29 -12.021 -2.572 -4.916 1.00 0.00 C ATOM 464 CD1 LEU A 29 -12.146 -3.964 -5.535 1.00 0.00 C ATOM 465 CD2 LEU A 29 -11.415 -1.606 -5.952 1.00 0.00 C ATOM 0 H LEU A 29 -12.159 -2.422 -2.321 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.632 -0.173 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.980 -2.907 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.972 -1.714 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.367 -2.612 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.163 -4.311 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.554 -4.655 -4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.811 -3.920 -6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.434 -1.969 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.069 -1.549 -6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.313 -0.615 -5.510 1.00 0.00 H new ATOM 477 N ASP A 30 -15.164 -0.805 -1.953 1.00 0.00 N ATOM 478 CA ASP A 30 -16.473 -0.246 -1.520 1.00 0.00 C ATOM 479 C ASP A 30 -16.214 1.155 -0.978 1.00 0.00 C ATOM 480 O ASP A 30 -16.840 2.121 -1.374 1.00 0.00 O ATOM 481 CB ASP A 30 -17.077 -1.119 -0.414 1.00 0.00 C ATOM 482 CG ASP A 30 -17.744 -2.349 -1.034 1.00 0.00 C ATOM 483 OD1 ASP A 30 -17.223 -2.848 -2.017 1.00 0.00 O ATOM 484 OD2 ASP A 30 -18.764 -2.771 -0.514 1.00 0.00 O ATOM 0 H ASP A 30 -14.762 -1.507 -1.332 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.171 -0.218 -2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.299 -1.428 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.808 -0.546 0.157 1.00 0.00 H new ATOM 489 N ALA A 31 -15.273 1.272 -0.082 1.00 0.00 N ATOM 490 CA ALA A 31 -14.947 2.604 0.483 1.00 0.00 C ATOM 491 C ALA A 31 -14.694 3.575 -0.663 1.00 0.00 C ATOM 492 O ALA A 31 -15.107 4.714 -0.626 1.00 0.00 O ATOM 493 CB ALA A 31 -13.711 2.496 1.360 1.00 0.00 C ATOM 0 H ALA A 31 -14.717 0.498 0.282 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.777 2.966 1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.472 3.475 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.901 1.795 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.871 2.140 0.763 1.00 0.00 H new ATOM 499 N PHE A 32 -14.040 3.128 -1.692 1.00 0.00 N ATOM 500 CA PHE A 32 -13.792 4.026 -2.846 1.00 0.00 C ATOM 501 C PHE A 32 -15.140 4.376 -3.479 1.00 0.00 C ATOM 502 O PHE A 32 -15.315 5.430 -4.049 1.00 0.00 O ATOM 503 CB PHE A 32 -12.903 3.314 -3.869 1.00 0.00 C ATOM 504 CG PHE A 32 -11.607 2.790 -3.245 1.00 0.00 C ATOM 505 CD1 PHE A 32 -11.176 3.176 -1.955 1.00 0.00 C ATOM 506 CD2 PHE A 32 -10.815 1.912 -3.995 1.00 0.00 C ATOM 507 CE1 PHE A 32 -9.971 2.680 -1.442 1.00 0.00 C ATOM 508 CE2 PHE A 32 -9.610 1.424 -3.478 1.00 0.00 C ATOM 509 CZ PHE A 32 -9.189 1.808 -2.202 1.00 0.00 C ATOM 0 H PHE A 32 -13.667 2.183 -1.784 1.00 0.00 H new ATOM 0 HA PHE A 32 -13.287 4.935 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.454 2.483 -4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.662 4.002 -4.679 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.776 3.853 -1.365 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.137 1.609 -4.980 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.645 2.973 -0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.005 0.750 -4.066 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.259 1.430 -1.804 1.00 0.00 H new ATOM 519 N ASP A 33 -16.108 3.512 -3.367 1.00 0.00 N ATOM 520 CA ASP A 33 -17.443 3.829 -3.947 1.00 0.00 C ATOM 521 C ASP A 33 -18.213 4.682 -2.942 1.00 0.00 C ATOM 522 O ASP A 33 -19.345 5.065 -3.168 1.00 0.00 O ATOM 523 CB ASP A 33 -18.210 2.533 -4.223 1.00 0.00 C ATOM 524 CG ASP A 33 -17.488 1.734 -5.308 1.00 0.00 C ATOM 525 OD1 ASP A 33 -16.278 1.855 -5.399 1.00 0.00 O ATOM 526 OD2 ASP A 33 -18.158 1.014 -6.031 1.00 0.00 O ATOM 0 H ASP A 33 -16.035 2.607 -2.903 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.325 4.371 -4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.286 1.941 -3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.228 2.761 -4.541 1.00 0.00 H new ATOM 531 N LYS A 34 -17.594 4.979 -1.829 1.00 0.00 N ATOM 532 CA LYS A 34 -18.248 5.809 -0.771 1.00 0.00 C ATOM 533 C LYS A 34 -17.396 7.051 -0.509 1.00 0.00 C ATOM 534 O LYS A 34 -17.756 8.163 -0.837 1.00 0.00 O ATOM 535 CB LYS A 34 -18.305 4.992 0.527 1.00 0.00 C ATOM 536 CG LYS A 34 -19.228 3.764 0.362 1.00 0.00 C ATOM 537 CD LYS A 34 -18.730 2.591 1.230 1.00 0.00 C ATOM 538 CE LYS A 34 -18.376 3.077 2.645 1.00 0.00 C ATOM 539 NZ LYS A 34 -18.627 1.979 3.621 1.00 0.00 N ATOM 0 H LYS A 34 -16.646 4.676 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 34 -19.248 6.096 -1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.302 4.665 0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.668 5.619 1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -20.247 4.027 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -19.257 3.462 -0.685 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.499 1.821 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.855 2.135 0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.331 3.383 2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.974 3.951 2.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.388 2.305 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.630 1.707 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.038 1.157 3.378 1.00 0.00 H new ATOM 553 N MET A 35 -16.266 6.843 0.094 1.00 0.00 N ATOM 554 CA MET A 35 -15.337 7.956 0.420 1.00 0.00 C ATOM 555 C MET A 35 -14.985 8.736 -0.854 1.00 0.00 C ATOM 556 O MET A 35 -15.071 9.947 -0.887 1.00 0.00 O ATOM 557 CB MET A 35 -14.097 7.319 1.076 1.00 0.00 C ATOM 558 CG MET A 35 -12.795 8.096 0.791 1.00 0.00 C ATOM 559 SD MET A 35 -11.406 7.201 1.532 1.00 0.00 S ATOM 560 CE MET A 35 -11.557 5.694 0.535 1.00 0.00 C ATOM 0 H MET A 35 -15.937 5.922 0.383 1.00 0.00 H new ATOM 0 HA MET A 35 -15.786 8.675 1.105 1.00 0.00 H new ATOM 0 HB2 MET A 35 -14.252 7.264 2.154 1.00 0.00 H new ATOM 0 HB3 MET A 35 -13.988 6.296 0.717 1.00 0.00 H new ATOM 0 HG2 MET A 35 -12.646 8.201 -0.284 1.00 0.00 H new ATOM 0 HG3 MET A 35 -12.858 9.103 1.204 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.564 5.338 0.261 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.071 4.926 1.112 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.127 5.911 -0.369 1.00 0.00 H new ATOM 570 N CYS A 36 -14.588 8.064 -1.904 1.00 0.00 N ATOM 571 CA CYS A 36 -14.238 8.798 -3.155 1.00 0.00 C ATOM 572 C CYS A 36 -15.522 9.053 -3.947 1.00 0.00 C ATOM 573 O CYS A 36 -15.494 9.367 -5.120 1.00 0.00 O ATOM 574 CB CYS A 36 -13.251 7.969 -3.988 1.00 0.00 C ATOM 575 SG CYS A 36 -12.873 8.851 -5.525 1.00 0.00 S ATOM 0 H CYS A 36 -14.492 7.050 -1.949 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.765 9.749 -2.911 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.336 7.795 -3.421 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -13.678 6.992 -4.212 1.00 0.00 H new ATOM 580 N SER A 37 -16.653 8.931 -3.296 1.00 0.00 N ATOM 581 CA SER A 37 -17.955 9.175 -3.983 1.00 0.00 C ATOM 582 C SER A 37 -18.343 10.646 -3.805 1.00 0.00 C ATOM 583 O SER A 37 -18.880 11.273 -4.697 1.00 0.00 O ATOM 584 CB SER A 37 -19.033 8.280 -3.363 1.00 0.00 C ATOM 585 OG SER A 37 -20.115 8.151 -4.277 1.00 0.00 O ATOM 0 H SER A 37 -16.728 8.671 -2.313 1.00 0.00 H new ATOM 0 HA SER A 37 -17.864 8.945 -5.045 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.619 7.299 -3.130 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.383 8.709 -2.424 1.00 0.00 H new ATOM 0 HG SER A 37 -20.807 7.578 -3.886 1.00 0.00 H new ATOM 591 N LYS A 38 -18.076 11.197 -2.651 1.00 0.00 N ATOM 592 CA LYS A 38 -18.424 12.625 -2.397 1.00 0.00 C ATOM 593 C LYS A 38 -17.390 13.534 -3.063 1.00 0.00 C ATOM 594 O LYS A 38 -17.636 14.700 -3.297 1.00 0.00 O ATOM 595 CB LYS A 38 -18.434 12.884 -0.888 1.00 0.00 C ATOM 596 CG LYS A 38 -17.070 12.518 -0.293 1.00 0.00 C ATOM 597 CD LYS A 38 -17.169 12.482 1.233 1.00 0.00 C ATOM 598 CE LYS A 38 -15.764 12.431 1.836 1.00 0.00 C ATOM 599 NZ LYS A 38 -14.985 13.619 1.384 1.00 0.00 N ATOM 0 H LYS A 38 -17.630 10.717 -1.870 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.410 12.837 -2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.658 13.932 -0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -19.219 12.295 -0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.746 11.548 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.320 13.246 -0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.699 13.363 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.744 11.612 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.824 12.415 2.924 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.259 11.514 1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.269 13.857 2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.515 13.403 0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.627 14.427 1.255 1.00 0.00 H new ATOM 613 N LEU A 39 -16.229 13.006 -3.360 1.00 0.00 N ATOM 614 CA LEU A 39 -15.158 13.835 -4.007 1.00 0.00 C ATOM 615 C LEU A 39 -15.793 14.705 -5.127 1.00 0.00 C ATOM 616 O LEU A 39 -16.698 14.240 -5.791 1.00 0.00 O ATOM 617 CB LEU A 39 -14.090 12.882 -4.638 1.00 0.00 C ATOM 618 CG LEU A 39 -12.646 13.172 -4.111 1.00 0.00 C ATOM 619 CD1 LEU A 39 -12.207 12.076 -3.138 1.00 0.00 C ATOM 620 CD2 LEU A 39 -11.659 13.216 -5.288 1.00 0.00 C ATOM 0 H LEU A 39 -15.973 12.035 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.687 14.479 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.354 11.848 -4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.106 12.990 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.653 14.133 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.200 12.290 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.894 12.043 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.213 11.113 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.655 13.418 -4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.667 12.257 -5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.954 14.004 -5.981 1.00 0.00 H new ATOM 632 N PRO A 40 -15.303 15.918 -5.346 1.00 0.00 N ATOM 633 CA PRO A 40 -15.851 16.757 -6.423 1.00 0.00 C ATOM 634 C PRO A 40 -15.766 15.980 -7.741 1.00 0.00 C ATOM 635 O PRO A 40 -14.763 15.363 -8.036 1.00 0.00 O ATOM 636 CB PRO A 40 -14.961 18.019 -6.448 1.00 0.00 C ATOM 637 CG PRO A 40 -13.981 17.921 -5.245 1.00 0.00 C ATOM 638 CD PRO A 40 -14.206 16.547 -4.575 1.00 0.00 C ATOM 0 HA PRO A 40 -16.896 17.028 -6.273 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.411 18.082 -7.387 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.570 18.920 -6.374 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -12.949 18.019 -5.582 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.163 18.728 -4.535 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -13.302 15.939 -4.608 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.476 16.660 -3.525 1.00 0.00 H new ATOM 646 N LYS A 41 -16.816 16.004 -8.515 1.00 0.00 N ATOM 647 CA LYS A 41 -16.845 15.264 -9.812 1.00 0.00 C ATOM 648 C LYS A 41 -15.472 15.242 -10.492 1.00 0.00 C ATOM 649 O LYS A 41 -14.911 14.198 -10.754 1.00 0.00 O ATOM 650 CB LYS A 41 -17.844 15.959 -10.730 1.00 0.00 C ATOM 651 CG LYS A 41 -18.216 15.029 -11.886 1.00 0.00 C ATOM 652 CD LYS A 41 -19.249 15.722 -12.802 1.00 0.00 C ATOM 653 CE LYS A 41 -18.539 16.459 -13.947 1.00 0.00 C ATOM 654 NZ LYS A 41 -17.691 17.551 -13.392 1.00 0.00 N ATOM 0 H LYS A 41 -17.672 16.515 -8.300 1.00 0.00 H new ATOM 0 HA LYS A 41 -17.132 14.231 -9.616 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.738 16.233 -10.169 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.415 16.883 -11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.325 14.770 -12.458 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.628 14.097 -11.498 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.938 14.982 -13.209 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -19.845 16.427 -12.221 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.924 15.761 -14.515 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -19.274 16.872 -14.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.543 18.280 -14.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.165 17.974 -12.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.772 17.162 -13.100 1.00 0.00 H new ATOM 668 N SER A 42 -14.946 16.387 -10.791 1.00 0.00 N ATOM 669 CA SER A 42 -13.622 16.463 -11.478 1.00 0.00 C ATOM 670 C SER A 42 -12.614 15.505 -10.840 1.00 0.00 C ATOM 671 O SER A 42 -12.110 14.594 -11.468 1.00 0.00 O ATOM 672 CB SER A 42 -13.084 17.888 -11.346 1.00 0.00 C ATOM 673 OG SER A 42 -12.079 18.106 -12.328 1.00 0.00 O ATOM 0 H SER A 42 -15.376 17.289 -10.589 1.00 0.00 H new ATOM 0 HA SER A 42 -13.757 16.186 -12.524 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.893 18.607 -11.472 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.673 18.042 -10.348 1.00 0.00 H new ATOM 0 HG SER A 42 -11.734 19.020 -12.246 1.00 0.00 H new ATOM 679 N LEU A 43 -12.296 15.723 -9.602 1.00 0.00 N ATOM 680 CA LEU A 43 -11.301 14.848 -8.935 1.00 0.00 C ATOM 681 C LEU A 43 -11.949 13.515 -8.562 1.00 0.00 C ATOM 682 O LEU A 43 -11.301 12.646 -8.021 1.00 0.00 O ATOM 683 CB LEU A 43 -10.767 15.554 -7.681 1.00 0.00 C ATOM 684 CG LEU A 43 -9.865 16.740 -8.084 1.00 0.00 C ATOM 685 CD1 LEU A 43 -9.822 17.767 -6.950 1.00 0.00 C ATOM 686 CD2 LEU A 43 -8.435 16.254 -8.367 1.00 0.00 C ATOM 0 H LEU A 43 -12.681 16.468 -9.022 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.471 14.651 -9.614 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.598 15.910 -7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.203 14.849 -7.070 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.277 17.195 -8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.184 18.602 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.830 18.132 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.422 17.299 -6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.812 17.102 -8.650 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.026 15.786 -7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.452 15.529 -9.181 1.00 0.00 H new ATOM 698 N SER A 44 -13.213 13.327 -8.863 1.00 0.00 N ATOM 699 CA SER A 44 -13.870 12.030 -8.535 1.00 0.00 C ATOM 700 C SER A 44 -13.716 11.125 -9.741 1.00 0.00 C ATOM 701 O SER A 44 -13.619 9.920 -9.622 1.00 0.00 O ATOM 702 CB SER A 44 -15.359 12.237 -8.243 1.00 0.00 C ATOM 703 OG SER A 44 -16.085 12.200 -9.464 1.00 0.00 O ATOM 0 H SER A 44 -13.812 14.015 -9.320 1.00 0.00 H new ATOM 0 HA SER A 44 -13.409 11.592 -7.650 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.720 11.462 -7.568 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.514 13.193 -7.743 1.00 0.00 H new ATOM 0 HG SER A 44 -15.684 12.826 -10.102 1.00 0.00 H new ATOM 709 N GLU A 45 -13.669 11.701 -10.915 1.00 0.00 N ATOM 710 CA GLU A 45 -13.494 10.866 -12.122 1.00 0.00 C ATOM 711 C GLU A 45 -12.021 10.490 -12.215 1.00 0.00 C ATOM 712 O GLU A 45 -11.655 9.472 -12.768 1.00 0.00 O ATOM 713 CB GLU A 45 -13.930 11.623 -13.384 1.00 0.00 C ATOM 714 CG GLU A 45 -13.279 13.007 -13.422 1.00 0.00 C ATOM 715 CD GLU A 45 -13.337 13.566 -14.847 1.00 0.00 C ATOM 716 OE1 GLU A 45 -14.432 13.679 -15.373 1.00 0.00 O ATOM 717 OE2 GLU A 45 -12.285 13.868 -15.386 1.00 0.00 O ATOM 0 H GLU A 45 -13.744 12.705 -11.081 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.115 9.973 -12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.649 11.057 -14.272 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.015 11.723 -13.400 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.793 13.680 -12.736 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.243 12.942 -13.089 1.00 0.00 H new ATOM 724 N GLU A 46 -11.168 11.309 -11.653 1.00 0.00 N ATOM 725 CA GLU A 46 -9.710 11.009 -11.677 1.00 0.00 C ATOM 726 C GLU A 46 -9.366 10.093 -10.495 1.00 0.00 C ATOM 727 O GLU A 46 -8.426 9.325 -10.544 1.00 0.00 O ATOM 728 CB GLU A 46 -8.916 12.314 -11.560 1.00 0.00 C ATOM 729 CG GLU A 46 -8.937 13.052 -12.901 1.00 0.00 C ATOM 730 CD GLU A 46 -8.050 14.295 -12.813 1.00 0.00 C ATOM 731 OE1 GLU A 46 -6.871 14.180 -13.109 1.00 0.00 O ATOM 732 OE2 GLU A 46 -8.562 15.341 -12.452 1.00 0.00 O ATOM 0 H GLU A 46 -11.423 12.175 -11.178 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.453 10.514 -12.613 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.345 12.944 -10.781 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.888 12.101 -11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.583 12.395 -13.695 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.958 13.338 -13.155 1.00 0.00 H new ATOM 739 N CYS A 47 -10.127 10.171 -9.433 1.00 0.00 N ATOM 740 CA CYS A 47 -9.853 9.307 -8.246 1.00 0.00 C ATOM 741 C CYS A 47 -10.457 7.921 -8.489 1.00 0.00 C ATOM 742 O CYS A 47 -10.024 6.939 -7.925 1.00 0.00 O ATOM 743 CB CYS A 47 -10.482 9.953 -6.998 1.00 0.00 C ATOM 744 SG CYS A 47 -10.867 8.706 -5.735 1.00 0.00 S ATOM 0 H CYS A 47 -10.927 10.797 -9.337 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.779 9.206 -8.090 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.797 10.694 -6.585 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -11.392 10.482 -7.279 1.00 0.00 H new ATOM 749 N GLN A 48 -11.443 7.830 -9.341 1.00 0.00 N ATOM 750 CA GLN A 48 -12.058 6.511 -9.635 1.00 0.00 C ATOM 751 C GLN A 48 -11.311 5.926 -10.819 1.00 0.00 C ATOM 752 O GLN A 48 -11.232 4.726 -11.001 1.00 0.00 O ATOM 753 CB GLN A 48 -13.535 6.699 -9.991 1.00 0.00 C ATOM 754 CG GLN A 48 -14.345 6.915 -8.711 1.00 0.00 C ATOM 755 CD GLN A 48 -14.489 5.587 -7.966 1.00 0.00 C ATOM 756 OE1 GLN A 48 -15.257 4.733 -8.364 1.00 0.00 O ATOM 757 NE2 GLN A 48 -13.778 5.374 -6.893 1.00 0.00 N ATOM 0 H GLN A 48 -11.848 8.618 -9.846 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.996 5.848 -8.772 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.654 7.553 -10.658 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.906 5.824 -10.525 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.850 7.649 -8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -15.329 7.316 -8.954 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -13.133 6.090 -6.558 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -13.867 4.492 -6.389 1.00 0.00 H new ATOM 766 N GLU A 49 -10.741 6.783 -11.618 1.00 0.00 N ATOM 767 CA GLU A 49 -9.975 6.306 -12.785 1.00 0.00 C ATOM 768 C GLU A 49 -8.702 5.629 -12.284 1.00 0.00 C ATOM 769 O GLU A 49 -8.361 4.534 -12.692 1.00 0.00 O ATOM 770 CB GLU A 49 -9.615 7.492 -13.683 1.00 0.00 C ATOM 771 CG GLU A 49 -8.686 7.021 -14.802 1.00 0.00 C ATOM 772 CD GLU A 49 -8.589 8.106 -15.876 1.00 0.00 C ATOM 773 OE1 GLU A 49 -9.423 8.107 -16.765 1.00 0.00 O ATOM 774 OE2 GLU A 49 -7.681 8.917 -15.791 1.00 0.00 O ATOM 0 H GLU A 49 -10.777 7.796 -11.507 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.570 5.598 -13.361 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.519 7.929 -14.106 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.129 8.272 -13.096 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.697 6.803 -14.400 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.064 6.096 -15.238 1.00 0.00 H new ATOM 781 N VAL A 50 -7.995 6.267 -11.388 1.00 0.00 N ATOM 782 CA VAL A 50 -6.756 5.643 -10.863 1.00 0.00 C ATOM 783 C VAL A 50 -7.123 4.370 -10.107 1.00 0.00 C ATOM 784 O VAL A 50 -6.485 3.359 -10.254 1.00 0.00 O ATOM 785 CB VAL A 50 -6.025 6.595 -9.916 1.00 0.00 C ATOM 786 CG1 VAL A 50 -6.831 6.765 -8.625 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.652 5.992 -9.588 1.00 0.00 C ATOM 0 H VAL A 50 -8.223 7.184 -11.003 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.098 5.413 -11.701 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.906 7.571 -10.388 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.305 7.444 -7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.813 7.176 -8.860 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.950 5.796 -8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.114 6.657 -8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.786 5.021 -9.111 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.080 5.869 -10.507 1.00 0.00 H new ATOM 797 N VAL A 51 -8.158 4.421 -9.301 1.00 0.00 N ATOM 798 CA VAL A 51 -8.599 3.211 -8.529 1.00 0.00 C ATOM 799 C VAL A 51 -8.500 1.986 -9.442 1.00 0.00 C ATOM 800 O VAL A 51 -7.725 1.083 -9.196 1.00 0.00 O ATOM 801 CB VAL A 51 -10.053 3.454 -8.074 1.00 0.00 C ATOM 802 CG1 VAL A 51 -10.783 2.130 -7.813 1.00 0.00 C ATOM 803 CG2 VAL A 51 -10.057 4.307 -6.793 1.00 0.00 C ATOM 0 H VAL A 51 -8.722 5.256 -9.143 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.973 3.036 -7.654 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.577 3.980 -8.872 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.805 2.335 -7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.800 1.538 -8.728 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.263 1.576 -7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.085 4.478 -6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.514 3.784 -6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.575 5.264 -6.992 1.00 0.00 H new ATOM 813 N ASP A 52 -9.251 1.963 -10.513 1.00 0.00 N ATOM 814 CA ASP A 52 -9.160 0.811 -11.454 1.00 0.00 C ATOM 815 C ASP A 52 -7.678 0.543 -11.739 1.00 0.00 C ATOM 816 O ASP A 52 -7.253 -0.587 -11.871 1.00 0.00 O ATOM 817 CB ASP A 52 -9.882 1.154 -12.760 1.00 0.00 C ATOM 818 CG ASP A 52 -9.840 -0.053 -13.700 1.00 0.00 C ATOM 819 OD1 ASP A 52 -10.501 -1.033 -13.402 1.00 0.00 O ATOM 820 OD2 ASP A 52 -9.149 0.026 -14.703 1.00 0.00 O ATOM 0 H ASP A 52 -9.919 2.688 -10.774 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.626 -0.072 -11.017 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.916 1.432 -12.554 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.409 2.014 -13.234 1.00 0.00 H new ATOM 825 N THR A 53 -6.883 1.586 -11.800 1.00 0.00 N ATOM 826 CA THR A 53 -5.422 1.399 -12.035 1.00 0.00 C ATOM 827 C THR A 53 -4.742 1.041 -10.711 1.00 0.00 C ATOM 828 O THR A 53 -3.710 0.399 -10.687 1.00 0.00 O ATOM 829 CB THR A 53 -4.819 2.659 -12.668 1.00 0.00 C ATOM 830 OG1 THR A 53 -5.463 2.907 -13.909 1.00 0.00 O ATOM 831 CG2 THR A 53 -3.320 2.453 -12.911 1.00 0.00 C ATOM 0 H THR A 53 -7.185 2.555 -11.697 1.00 0.00 H new ATOM 0 HA THR A 53 -5.259 0.580 -12.735 1.00 0.00 H new ATOM 0 HB THR A 53 -4.961 3.506 -11.996 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.084 3.712 -14.319 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.897 3.351 -13.361 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.822 2.253 -11.962 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.173 1.607 -13.583 1.00 0.00 H new ATOM 839 N TYR A 54 -5.328 1.433 -9.609 1.00 0.00 N ATOM 840 CA TYR A 54 -4.755 1.112 -8.267 1.00 0.00 C ATOM 841 C TYR A 54 -5.869 0.548 -7.391 1.00 0.00 C ATOM 842 O TYR A 54 -6.343 1.206 -6.487 1.00 0.00 O ATOM 843 CB TYR A 54 -4.221 2.376 -7.601 1.00 0.00 C ATOM 844 CG TYR A 54 -2.966 2.828 -8.298 1.00 0.00 C ATOM 845 CD1 TYR A 54 -3.056 3.342 -9.581 1.00 0.00 C ATOM 846 CD2 TYR A 54 -1.731 2.765 -7.651 1.00 0.00 C ATOM 847 CE1 TYR A 54 -1.918 3.802 -10.240 1.00 0.00 C ATOM 848 CE2 TYR A 54 -0.579 3.215 -8.304 1.00 0.00 C ATOM 849 CZ TYR A 54 -0.671 3.739 -9.603 1.00 0.00 C ATOM 850 OH TYR A 54 0.461 4.193 -10.248 1.00 0.00 O ATOM 0 H TYR A 54 -6.194 1.971 -9.582 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.943 0.395 -8.387 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.973 3.164 -7.639 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.014 2.184 -6.548 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.016 3.387 -10.074 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.665 2.370 -6.648 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.996 4.206 -11.239 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.380 3.159 -7.810 1.00 0.00 H new ATOM 0 HH TYR A 54 1.239 4.077 -9.664 1.00 0.00 H new ATOM 860 N GLY A 55 -6.313 -0.651 -7.659 1.00 0.00 N ATOM 861 CA GLY A 55 -7.418 -1.246 -6.844 1.00 0.00 C ATOM 862 C GLY A 55 -7.146 -2.726 -6.574 1.00 0.00 C ATOM 863 O GLY A 55 -7.186 -3.171 -5.451 1.00 0.00 O ATOM 0 H GLY A 55 -5.959 -1.247 -8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.511 -0.709 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.366 -1.134 -7.370 1.00 0.00 H new ATOM 867 N SER A 56 -6.892 -3.498 -7.588 1.00 0.00 N ATOM 868 CA SER A 56 -6.632 -4.956 -7.370 1.00 0.00 C ATOM 869 C SER A 56 -5.130 -5.189 -7.174 1.00 0.00 C ATOM 870 O SER A 56 -4.715 -6.177 -6.599 1.00 0.00 O ATOM 871 CB SER A 56 -7.110 -5.739 -8.593 1.00 0.00 C ATOM 872 OG SER A 56 -6.052 -5.825 -9.539 1.00 0.00 O ATOM 0 H SER A 56 -6.852 -3.190 -8.559 1.00 0.00 H new ATOM 0 HA SER A 56 -7.168 -5.292 -6.482 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.431 -6.738 -8.297 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.974 -5.246 -9.040 1.00 0.00 H new ATOM 0 HG SER A 56 -6.355 -6.328 -10.324 1.00 0.00 H new ATOM 878 N SER A 57 -4.313 -4.284 -7.639 1.00 0.00 N ATOM 879 CA SER A 57 -2.838 -4.446 -7.475 1.00 0.00 C ATOM 880 C SER A 57 -2.433 -3.826 -6.149 1.00 0.00 C ATOM 881 O SER A 57 -2.084 -4.518 -5.229 1.00 0.00 O ATOM 882 CB SER A 57 -2.094 -3.738 -8.610 1.00 0.00 C ATOM 883 OG SER A 57 -2.399 -4.375 -9.843 1.00 0.00 O ATOM 0 H SER A 57 -4.603 -3.437 -8.127 1.00 0.00 H new ATOM 0 HA SER A 57 -2.583 -5.506 -7.499 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.383 -2.688 -8.649 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.020 -3.767 -8.429 1.00 0.00 H new ATOM 0 HG SER A 57 -1.925 -3.922 -10.571 1.00 0.00 H new ATOM 889 N ILE A 58 -2.501 -2.522 -6.055 1.00 0.00 N ATOM 890 CA ILE A 58 -2.144 -1.801 -4.789 1.00 0.00 C ATOM 891 C ILE A 58 -2.430 -2.679 -3.570 1.00 0.00 C ATOM 892 O ILE A 58 -1.618 -2.806 -2.675 1.00 0.00 O ATOM 893 CB ILE A 58 -2.997 -0.535 -4.724 1.00 0.00 C ATOM 894 CG1 ILE A 58 -2.622 0.311 -3.496 1.00 0.00 C ATOM 895 CG2 ILE A 58 -4.480 -0.905 -4.652 1.00 0.00 C ATOM 896 CD1 ILE A 58 -3.665 1.422 -3.309 1.00 0.00 C ATOM 0 H ILE A 58 -2.795 -1.912 -6.818 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.082 -1.557 -4.784 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.810 0.049 -5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.579 -0.317 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.631 0.745 -3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.080 0.004 -4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.756 -1.477 -5.538 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.662 -1.506 -3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.403 2.024 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.685 2.055 -4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.648 0.976 -3.159 1.00 0.00 H new ATOM 908 N LEU A 59 -3.581 -3.282 -3.534 1.00 0.00 N ATOM 909 CA LEU A 59 -3.916 -4.156 -2.365 1.00 0.00 C ATOM 910 C LEU A 59 -3.194 -5.505 -2.488 1.00 0.00 C ATOM 911 O LEU A 59 -2.772 -6.077 -1.506 1.00 0.00 O ATOM 912 CB LEU A 59 -5.433 -4.438 -2.269 1.00 0.00 C ATOM 913 CG LEU A 59 -6.248 -3.219 -2.680 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.716 -3.624 -2.836 1.00 0.00 C ATOM 915 CD2 LEU A 59 -6.127 -2.118 -1.621 1.00 0.00 C ATOM 0 H LEU A 59 -4.302 -3.213 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.595 -3.621 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.690 -5.282 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.689 -4.722 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.868 -2.837 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.304 -2.755 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.801 -4.396 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.090 -4.011 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.714 -1.252 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.499 -2.489 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.082 -1.828 -1.515 1.00 0.00 H new ATOM 927 N SER A 60 -3.090 -6.042 -3.681 1.00 0.00 N ATOM 928 CA SER A 60 -2.432 -7.381 -3.853 1.00 0.00 C ATOM 929 C SER A 60 -0.949 -7.229 -4.206 1.00 0.00 C ATOM 930 O SER A 60 -0.259 -8.200 -4.443 1.00 0.00 O ATOM 931 CB SER A 60 -3.137 -8.139 -4.978 1.00 0.00 C ATOM 932 OG SER A 60 -2.692 -9.489 -4.984 1.00 0.00 O ATOM 0 H SER A 60 -3.431 -5.614 -4.542 1.00 0.00 H new ATOM 0 HA SER A 60 -2.508 -7.927 -2.913 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.217 -8.100 -4.837 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.924 -7.669 -5.938 1.00 0.00 H new ATOM 0 HG SER A 60 -1.765 -9.529 -4.667 1.00 0.00 H new ATOM 938 N ILE A 61 -0.457 -6.026 -4.276 1.00 0.00 N ATOM 939 CA ILE A 61 0.970 -5.821 -4.651 1.00 0.00 C ATOM 940 C ILE A 61 1.881 -6.094 -3.445 1.00 0.00 C ATOM 941 O ILE A 61 2.695 -6.991 -3.479 1.00 0.00 O ATOM 942 CB ILE A 61 1.127 -4.379 -5.223 1.00 0.00 C ATOM 943 CG1 ILE A 61 2.160 -4.356 -6.355 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.531 -3.359 -4.157 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.559 -4.667 -5.827 1.00 0.00 C ATOM 0 H ILE A 61 -0.982 -5.172 -4.089 1.00 0.00 H new ATOM 0 HA ILE A 61 1.275 -6.525 -5.425 1.00 0.00 H new ATOM 0 HB ILE A 61 0.146 -4.094 -5.604 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.885 -5.085 -7.118 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.158 -3.377 -6.834 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.625 -2.374 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.770 -3.327 -3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.486 -3.649 -3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.272 -4.644 -6.651 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.841 -3.922 -5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.564 -5.657 -5.370 1.00 0.00 H new ATOM 957 N LEU A 62 1.756 -5.350 -2.388 1.00 0.00 N ATOM 958 CA LEU A 62 2.638 -5.594 -1.206 1.00 0.00 C ATOM 959 C LEU A 62 2.370 -6.984 -0.641 1.00 0.00 C ATOM 960 O LEU A 62 3.048 -7.444 0.256 1.00 0.00 O ATOM 961 CB LEU A 62 2.383 -4.531 -0.138 1.00 0.00 C ATOM 962 CG LEU A 62 2.798 -3.158 -0.681 1.00 0.00 C ATOM 963 CD1 LEU A 62 2.411 -2.070 0.324 1.00 0.00 C ATOM 964 CD2 LEU A 62 4.311 -3.116 -0.958 1.00 0.00 C ATOM 0 H LEU A 62 1.088 -4.586 -2.285 1.00 0.00 H new ATOM 0 HA LEU A 62 3.681 -5.535 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.329 -4.522 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.947 -4.764 0.765 1.00 0.00 H new ATOM 0 HG LEU A 62 2.277 -2.980 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.707 -1.095 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.332 -2.086 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.918 -2.253 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.583 -2.133 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.856 -3.308 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.567 -3.877 -1.695 1.00 0.00 H new ATOM 976 N LEU A 63 1.375 -7.649 -1.147 1.00 0.00 N ATOM 977 CA LEU A 63 1.037 -8.993 -0.640 1.00 0.00 C ATOM 978 C LEU A 63 1.917 -10.059 -1.304 1.00 0.00 C ATOM 979 O LEU A 63 2.481 -10.900 -0.632 1.00 0.00 O ATOM 980 CB LEU A 63 -0.423 -9.268 -0.986 1.00 0.00 C ATOM 981 CG LEU A 63 -1.386 -8.407 -0.134 1.00 0.00 C ATOM 982 CD1 LEU A 63 -1.648 -9.083 1.215 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.842 -6.989 0.116 1.00 0.00 C ATOM 0 H LEU A 63 0.776 -7.310 -1.900 1.00 0.00 H new ATOM 0 HA LEU A 63 1.202 -9.031 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.591 -9.063 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.642 -10.324 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.313 -8.319 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.327 -8.467 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.097 -10.062 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.707 -9.201 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.555 -6.427 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.109 -7.052 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.694 -6.483 -0.838 1.00 0.00 H new ATOM 995 N GLU A 64 2.010 -10.062 -2.620 1.00 0.00 N ATOM 996 CA GLU A 64 2.826 -11.119 -3.314 1.00 0.00 C ATOM 997 C GLU A 64 3.757 -10.537 -4.370 1.00 0.00 C ATOM 998 O GLU A 64 4.951 -10.766 -4.337 1.00 0.00 O ATOM 999 CB GLU A 64 1.878 -12.086 -4.006 1.00 0.00 C ATOM 1000 CG GLU A 64 0.991 -12.776 -2.968 1.00 0.00 C ATOM 1001 CD GLU A 64 -0.001 -13.701 -3.676 1.00 0.00 C ATOM 1002 OE1 GLU A 64 0.416 -14.392 -4.592 1.00 0.00 O ATOM 1003 OE2 GLU A 64 -1.158 -13.703 -3.291 1.00 0.00 O ATOM 0 H GLU A 64 1.561 -9.385 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 64 3.436 -11.613 -2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.260 -11.550 -4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.447 -12.830 -4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.605 -13.348 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.454 -12.031 -2.381 1.00 0.00 H new ATOM 1010 N GLU A 65 3.240 -9.811 -5.325 1.00 0.00 N ATOM 1011 CA GLU A 65 4.127 -9.249 -6.387 1.00 0.00 C ATOM 1012 C GLU A 65 5.316 -8.573 -5.723 1.00 0.00 C ATOM 1013 O GLU A 65 6.304 -8.238 -6.347 1.00 0.00 O ATOM 1014 CB GLU A 65 3.344 -8.243 -7.231 1.00 0.00 C ATOM 1015 CG GLU A 65 2.088 -8.916 -7.778 1.00 0.00 C ATOM 1016 CD GLU A 65 2.483 -10.011 -8.771 1.00 0.00 C ATOM 1017 OE1 GLU A 65 3.365 -9.763 -9.576 1.00 0.00 O ATOM 1018 OE2 GLU A 65 1.896 -11.078 -8.709 1.00 0.00 O ATOM 0 H GLU A 65 2.250 -9.584 -5.417 1.00 0.00 H new ATOM 0 HA GLU A 65 4.482 -10.046 -7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.073 -7.377 -6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.963 -7.879 -8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.508 -9.344 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.452 -8.179 -8.268 1.00 0.00 H new ATOM 1025 N VAL A 66 5.204 -8.379 -4.450 1.00 0.00 N ATOM 1026 CA VAL A 66 6.276 -7.733 -3.665 1.00 0.00 C ATOM 1027 C VAL A 66 6.355 -8.378 -2.271 1.00 0.00 C ATOM 1028 O VAL A 66 5.404 -8.362 -1.515 1.00 0.00 O ATOM 1029 CB VAL A 66 5.899 -6.257 -3.562 1.00 0.00 C ATOM 1030 CG1 VAL A 66 6.502 -5.607 -2.323 1.00 0.00 C ATOM 1031 CG2 VAL A 66 6.358 -5.541 -4.821 1.00 0.00 C ATOM 0 H VAL A 66 4.387 -8.650 -3.903 1.00 0.00 H new ATOM 0 HA VAL A 66 7.253 -7.850 -4.134 1.00 0.00 H new ATOM 0 HB VAL A 66 4.816 -6.178 -3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.211 -4.557 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.138 -6.117 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.589 -5.681 -2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.093 -4.486 -4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.439 -5.638 -4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.872 -5.985 -5.690 1.00 0.00 H new ATOM 1041 N SER A 67 7.491 -8.920 -1.920 1.00 0.00 N ATOM 1042 CA SER A 67 7.639 -9.536 -0.570 1.00 0.00 C ATOM 1043 C SER A 67 7.864 -8.395 0.439 1.00 0.00 C ATOM 1044 O SER A 67 8.356 -7.358 0.055 1.00 0.00 O ATOM 1045 CB SER A 67 8.846 -10.485 -0.577 1.00 0.00 C ATOM 1046 OG SER A 67 8.419 -11.781 -0.976 1.00 0.00 O ATOM 0 H SER A 67 8.322 -8.963 -2.510 1.00 0.00 H new ATOM 0 HA SER A 67 6.751 -10.107 -0.299 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.611 -10.115 -1.260 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.297 -10.527 0.415 1.00 0.00 H new ATOM 0 HG SER A 67 9.186 -12.390 -0.984 1.00 0.00 H new ATOM 1052 N PRO A 68 7.498 -8.597 1.690 1.00 0.00 N ATOM 1053 CA PRO A 68 7.663 -7.548 2.721 1.00 0.00 C ATOM 1054 C PRO A 68 9.125 -7.069 2.784 1.00 0.00 C ATOM 1055 O PRO A 68 9.398 -5.886 2.913 1.00 0.00 O ATOM 1056 CB PRO A 68 7.212 -8.222 4.037 1.00 0.00 C ATOM 1057 CG PRO A 68 6.929 -9.716 3.722 1.00 0.00 C ATOM 1058 CD PRO A 68 6.914 -9.860 2.191 1.00 0.00 C ATOM 0 HA PRO A 68 7.077 -6.653 2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.986 -8.131 4.799 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.318 -7.737 4.430 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.696 -10.354 4.161 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.974 -10.025 4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.498 -10.722 1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.900 -10.004 1.817 1.00 0.00 H new ATOM 1066 N GLU A 69 10.065 -7.968 2.694 1.00 0.00 N ATOM 1067 CA GLU A 69 11.492 -7.546 2.752 1.00 0.00 C ATOM 1068 C GLU A 69 11.807 -6.628 1.569 1.00 0.00 C ATOM 1069 O GLU A 69 12.438 -5.598 1.722 1.00 0.00 O ATOM 1070 CB GLU A 69 12.397 -8.781 2.705 1.00 0.00 C ATOM 1071 CG GLU A 69 13.846 -8.361 2.955 1.00 0.00 C ATOM 1072 CD GLU A 69 14.729 -9.606 3.060 1.00 0.00 C ATOM 1073 OE1 GLU A 69 14.682 -10.419 2.151 1.00 0.00 O ATOM 1074 OE2 GLU A 69 15.436 -9.725 4.047 1.00 0.00 O ATOM 0 H GLU A 69 9.909 -8.970 2.584 1.00 0.00 H new ATOM 0 HA GLU A 69 11.670 -7.006 3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.082 -9.505 3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.311 -9.271 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.195 -7.722 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.913 -7.777 3.873 1.00 0.00 H new ATOM 1081 N LEU A 70 11.369 -6.979 0.391 1.00 0.00 N ATOM 1082 CA LEU A 70 11.641 -6.111 -0.785 1.00 0.00 C ATOM 1083 C LEU A 70 11.185 -4.690 -0.453 1.00 0.00 C ATOM 1084 O LEU A 70 11.888 -3.731 -0.694 1.00 0.00 O ATOM 1085 CB LEU A 70 10.867 -6.649 -1.999 1.00 0.00 C ATOM 1086 CG LEU A 70 10.820 -5.603 -3.121 1.00 0.00 C ATOM 1087 CD1 LEU A 70 12.244 -5.185 -3.499 1.00 0.00 C ATOM 1088 CD2 LEU A 70 10.127 -6.203 -4.348 1.00 0.00 C ATOM 0 H LEU A 70 10.837 -7.826 0.194 1.00 0.00 H new ATOM 0 HA LEU A 70 12.705 -6.106 -1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.341 -7.560 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.853 -6.915 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 70 10.266 -4.730 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.206 -4.442 -4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.741 -4.758 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.800 -6.057 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.093 -5.461 -5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.682 -7.077 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.112 -6.499 -4.084 1.00 0.00 H new ATOM 1100 N VAL A 71 10.003 -4.552 0.088 1.00 0.00 N ATOM 1101 CA VAL A 71 9.489 -3.194 0.426 1.00 0.00 C ATOM 1102 C VAL A 71 10.594 -2.381 1.083 1.00 0.00 C ATOM 1103 O VAL A 71 10.991 -1.358 0.567 1.00 0.00 O ATOM 1104 CB VAL A 71 8.297 -3.316 1.371 1.00 0.00 C ATOM 1105 CG1 VAL A 71 7.590 -1.966 1.492 1.00 0.00 C ATOM 1106 CG2 VAL A 71 7.330 -4.340 0.798 1.00 0.00 C ATOM 0 H VAL A 71 9.372 -5.322 0.310 1.00 0.00 H new ATOM 0 HA VAL A 71 9.168 -2.690 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 71 8.639 -3.628 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.740 -2.060 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.286 -1.225 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.239 -1.650 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.471 -4.440 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.993 -4.012 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.832 -5.303 0.707 1.00 0.00 H new ATOM 1116 N CYS A 72 11.117 -2.835 2.201 1.00 0.00 N ATOM 1117 CA CYS A 72 12.226 -2.068 2.860 1.00 0.00 C ATOM 1118 C CYS A 72 13.216 -1.601 1.791 1.00 0.00 C ATOM 1119 O CYS A 72 13.744 -0.509 1.853 1.00 0.00 O ATOM 1120 CB CYS A 72 12.954 -2.937 3.884 1.00 0.00 C ATOM 1121 SG CYS A 72 11.995 -3.019 5.411 1.00 0.00 S ATOM 0 H CYS A 72 10.830 -3.689 2.679 1.00 0.00 H new ATOM 0 HA CYS A 72 11.800 -1.209 3.378 1.00 0.00 H new ATOM 0 HB2 CYS A 72 13.103 -3.940 3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 72 13.943 -2.525 4.087 1.00 0.00 H new ATOM 1126 N SER A 73 13.444 -2.409 0.790 1.00 0.00 N ATOM 1127 CA SER A 73 14.367 -1.985 -0.294 1.00 0.00 C ATOM 1128 C SER A 73 13.692 -0.837 -1.056 1.00 0.00 C ATOM 1129 O SER A 73 14.254 0.229 -1.214 1.00 0.00 O ATOM 1130 CB SER A 73 14.664 -3.173 -1.227 1.00 0.00 C ATOM 1131 OG SER A 73 16.070 -3.378 -1.284 1.00 0.00 O ATOM 0 H SER A 73 13.033 -3.336 0.679 1.00 0.00 H new ATOM 0 HA SER A 73 15.319 -1.646 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.167 -4.072 -0.862 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.272 -2.975 -2.225 1.00 0.00 H new ATOM 0 HG SER A 73 16.267 -4.134 -1.875 1.00 0.00 H new ATOM 1137 N MET A 74 12.478 -1.038 -1.510 1.00 0.00 N ATOM 1138 CA MET A 74 11.775 0.060 -2.234 1.00 0.00 C ATOM 1139 C MET A 74 11.771 1.309 -1.350 1.00 0.00 C ATOM 1140 O MET A 74 11.984 2.410 -1.818 1.00 0.00 O ATOM 1141 CB MET A 74 10.327 -0.350 -2.536 1.00 0.00 C ATOM 1142 CG MET A 74 10.291 -1.418 -3.636 1.00 0.00 C ATOM 1143 SD MET A 74 8.665 -1.403 -4.436 1.00 0.00 S ATOM 1144 CE MET A 74 7.745 -2.242 -3.122 1.00 0.00 C ATOM 0 H MET A 74 11.951 -1.906 -1.411 1.00 0.00 H new ATOM 0 HA MET A 74 12.289 0.263 -3.173 1.00 0.00 H new ATOM 0 HB2 MET A 74 9.855 -0.734 -1.632 1.00 0.00 H new ATOM 0 HB3 MET A 74 9.753 0.522 -2.849 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.072 -1.225 -4.371 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.490 -2.401 -3.210 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.711 -2.386 -3.437 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.202 -3.211 -2.920 1.00 0.00 H new ATOM 0 HE3 MET A 74 7.767 -1.634 -2.217 1.00 0.00 H new