USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 155:sc= -0.0948 (180deg=-0.749) USER MOD Single : A 11 TYR OH : rot -43:sc= -0.2 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 170:sc= -2.83! (180deg=-3.29!) USER MOD Single : A 21 LYS NZ :NH3+ -127:sc= -0.288 (180deg=-1.68!) USER MOD Single : A 23 THR OG1 : rot 160:sc= -0.397 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= -0.0245 (180deg=-0.359) USER MOD Single : A 34 HIS : no HE2:sc= 0.251 K(o=0.25,f=-2.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -165:sc= -3.63 USER MOD Single : A 63 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 4 6.838 5.165 10.112 1.00 0.00 N ATOM 34 CA LYS A 4 6.061 4.555 9.045 1.00 0.00 C ATOM 35 C LYS A 4 6.385 5.252 7.723 1.00 0.00 C ATOM 36 O LYS A 4 6.013 4.768 6.655 1.00 0.00 O ATOM 37 CB LYS A 4 4.572 4.562 9.396 1.00 0.00 C ATOM 38 CG LYS A 4 4.025 3.137 9.496 1.00 0.00 C ATOM 39 CD LYS A 4 4.591 2.418 10.722 1.00 0.00 C ATOM 40 CE LYS A 4 5.313 1.131 10.317 1.00 0.00 C ATOM 41 NZ LYS A 4 6.219 0.683 11.399 1.00 0.00 N ATOM 0 HA LYS A 4 6.332 3.506 8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.420 5.081 10.343 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.019 5.115 8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.937 3.165 9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.280 2.581 8.594 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.282 3.077 11.248 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.784 2.184 11.416 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.584 0.351 10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.883 1.299 9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.701 -0.191 11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.926 1.422 11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.667 0.503 12.262 1.00 0.00 H new ATOM 51 N ILE A 5 7.075 6.378 7.837 1.00 0.00 N ATOM 52 CA ILE A 5 7.452 7.146 6.663 1.00 0.00 C ATOM 53 C ILE A 5 7.850 6.187 5.538 1.00 0.00 C ATOM 54 O ILE A 5 7.224 6.176 4.479 1.00 0.00 O ATOM 55 CB ILE A 5 8.540 8.163 7.016 1.00 0.00 C ATOM 56 CG1 ILE A 5 7.935 9.406 7.672 1.00 0.00 C ATOM 57 CG2 ILE A 5 9.380 8.515 5.787 1.00 0.00 C ATOM 58 CD1 ILE A 5 8.994 10.180 8.462 1.00 0.00 C ATOM 0 H ILE A 5 7.382 6.776 8.724 1.00 0.00 H new ATOM 0 HA ILE A 5 6.606 7.730 6.301 1.00 0.00 H new ATOM 0 HB ILE A 5 9.211 7.708 7.745 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.503 10.051 6.907 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.123 9.112 8.337 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.146 9.239 6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.856 7.614 5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.738 8.943 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.538 11.059 8.918 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.407 9.540 9.241 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.792 10.494 7.790 1.00 0.00 H new ATOM 69 N GLY A 6 8.885 5.407 5.807 1.00 0.00 N ATOM 70 CA GLY A 6 9.373 4.447 4.830 1.00 0.00 C ATOM 71 C GLY A 6 8.212 3.801 4.071 1.00 0.00 C ATOM 72 O GLY A 6 8.028 4.053 2.880 1.00 0.00 O ATOM 0 H GLY A 6 9.400 5.419 6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.040 4.945 4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.958 3.676 5.332 1.00 0.00 H new ATOM 76 N LEU A 7 7.461 2.980 4.789 1.00 0.00 N ATOM 77 CA LEU A 7 6.323 2.296 4.198 1.00 0.00 C ATOM 78 C LEU A 7 5.532 3.283 3.337 1.00 0.00 C ATOM 79 O LEU A 7 5.057 2.929 2.258 1.00 0.00 O ATOM 80 CB LEU A 7 5.485 1.614 5.281 1.00 0.00 C ATOM 81 CG LEU A 7 5.435 0.086 5.228 1.00 0.00 C ATOM 82 CD1 LEU A 7 6.809 -0.519 5.526 1.00 0.00 C ATOM 83 CD2 LEU A 7 4.354 -0.460 6.163 1.00 0.00 C ATOM 0 H LEU A 7 7.618 2.773 5.775 1.00 0.00 H new ATOM 0 HA LEU A 7 6.660 1.496 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.874 1.911 6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.465 1.993 5.216 1.00 0.00 H new ATOM 0 HG LEU A 7 5.165 -0.211 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.745 -1.606 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.529 -0.167 4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.132 -0.215 6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.340 -1.548 6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.569 -0.153 7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.382 -0.068 5.863 1.00 0.00 H new ATOM 94 N LYS A 8 5.412 4.499 3.847 1.00 0.00 N ATOM 95 CA LYS A 8 4.685 5.540 3.139 1.00 0.00 C ATOM 96 C LYS A 8 5.466 5.938 1.885 1.00 0.00 C ATOM 97 O LYS A 8 4.882 6.133 0.821 1.00 0.00 O ATOM 98 CB LYS A 8 4.381 6.713 4.073 1.00 0.00 C ATOM 99 CG LYS A 8 3.358 7.661 3.447 1.00 0.00 C ATOM 100 CD LYS A 8 4.047 8.871 2.813 1.00 0.00 C ATOM 101 CE LYS A 8 4.205 10.005 3.828 1.00 0.00 C ATOM 102 NZ LYS A 8 5.475 9.862 4.573 1.00 0.00 N ATOM 0 H LYS A 8 5.806 4.788 4.742 1.00 0.00 H new ATOM 0 HA LYS A 8 3.715 5.169 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.000 6.337 5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.300 7.257 4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.780 7.130 2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.654 7.997 4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.026 8.579 2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.465 9.220 1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.185 10.966 3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.366 9.998 4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.779 10.793 4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.335 9.218 5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.206 9.475 3.942 1.00 0.00 H new ATOM 112 N VAL A 9 6.777 6.049 2.053 1.00 0.00 N ATOM 113 CA VAL A 9 7.643 6.421 0.949 1.00 0.00 C ATOM 114 C VAL A 9 7.374 5.496 -0.240 1.00 0.00 C ATOM 115 O VAL A 9 6.953 5.951 -1.302 1.00 0.00 O ATOM 116 CB VAL A 9 9.105 6.402 1.401 1.00 0.00 C ATOM 117 CG1 VAL A 9 10.045 6.702 0.232 1.00 0.00 C ATOM 118 CG2 VAL A 9 9.334 7.382 2.554 1.00 0.00 C ATOM 0 H VAL A 9 7.259 5.888 2.937 1.00 0.00 H new ATOM 0 HA VAL A 9 7.430 7.439 0.624 1.00 0.00 H new ATOM 0 HB VAL A 9 9.331 5.399 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.077 6.682 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.910 5.950 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.818 7.688 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.381 7.349 2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.081 8.391 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.703 7.104 3.398 1.00 0.00 H new ATOM 128 N LEU A 10 7.628 4.214 -0.021 1.00 0.00 N ATOM 129 CA LEU A 10 7.418 3.221 -1.061 1.00 0.00 C ATOM 130 C LEU A 10 5.992 3.348 -1.600 1.00 0.00 C ATOM 131 O LEU A 10 5.794 3.581 -2.792 1.00 0.00 O ATOM 132 CB LEU A 10 7.757 1.822 -0.542 1.00 0.00 C ATOM 133 CG LEU A 10 9.138 1.282 -0.921 1.00 0.00 C ATOM 134 CD1 LEU A 10 10.169 1.608 0.162 1.00 0.00 C ATOM 135 CD2 LEU A 10 9.077 -0.216 -1.223 1.00 0.00 C ATOM 0 H LEU A 10 7.977 3.840 0.861 1.00 0.00 H new ATOM 0 HA LEU A 10 8.093 3.397 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.678 1.830 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.003 1.127 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 10 9.462 1.781 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.142 1.214 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.238 2.689 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.863 1.154 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.071 -0.574 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.723 -0.751 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.393 -0.392 -2.053 1.00 0.00 H new ATOM 146 N TYR A 11 5.035 3.189 -0.697 1.00 0.00 N ATOM 147 CA TYR A 11 3.633 3.282 -1.068 1.00 0.00 C ATOM 148 C TYR A 11 3.367 4.544 -1.894 1.00 0.00 C ATOM 149 O TYR A 11 2.877 4.462 -3.018 1.00 0.00 O ATOM 150 CB TYR A 11 2.855 3.373 0.246 1.00 0.00 C ATOM 151 CG TYR A 11 1.575 4.207 0.154 1.00 0.00 C ATOM 152 CD1 TYR A 11 0.843 4.222 -1.015 1.00 0.00 C ATOM 153 CD2 TYR A 11 1.154 4.945 1.242 1.00 0.00 C ATOM 154 CE1 TYR A 11 -0.361 5.006 -1.101 1.00 0.00 C ATOM 155 CE2 TYR A 11 -0.049 5.730 1.156 1.00 0.00 C ATOM 156 CZ TYR A 11 -0.749 5.722 -0.011 1.00 0.00 C ATOM 157 OH TYR A 11 -1.886 6.463 -0.092 1.00 0.00 O ATOM 0 H TYR A 11 5.203 2.996 0.290 1.00 0.00 H new ATOM 0 HA TYR A 11 3.337 2.423 -1.670 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.598 2.366 0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.502 3.802 1.011 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.173 3.645 -1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.727 4.933 2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.943 5.026 -2.010 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.389 6.313 1.999 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.913 6.928 -0.954 1.00 0.00 H new ATOM 166 N LYS A 12 3.703 5.680 -1.301 1.00 0.00 N ATOM 167 CA LYS A 12 3.507 6.957 -1.967 1.00 0.00 C ATOM 168 C LYS A 12 4.161 6.912 -3.348 1.00 0.00 C ATOM 169 O LYS A 12 3.689 7.556 -4.284 1.00 0.00 O ATOM 170 CB LYS A 12 4.006 8.103 -1.085 1.00 0.00 C ATOM 171 CG LYS A 12 4.134 9.399 -1.890 1.00 0.00 C ATOM 172 CD LYS A 12 5.464 9.447 -2.645 1.00 0.00 C ATOM 173 CE LYS A 12 6.048 10.861 -2.636 1.00 0.00 C ATOM 174 NZ LYS A 12 5.935 11.477 -3.978 1.00 0.00 N ATOM 0 H LYS A 12 4.109 5.743 -0.368 1.00 0.00 H new ATOM 0 HA LYS A 12 2.445 7.147 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.317 8.253 -0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.973 7.841 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.308 9.475 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.061 10.256 -1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.171 8.755 -2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.315 9.118 -3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.523 11.473 -1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.094 10.827 -2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.336 12.436 -3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.456 10.901 -4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.933 11.527 -4.254 1.00 0.00 H new ATOM 184 N LEU A 13 5.239 6.147 -3.433 1.00 0.00 N ATOM 185 CA LEU A 13 5.964 6.011 -4.685 1.00 0.00 C ATOM 186 C LEU A 13 5.241 5.002 -5.580 1.00 0.00 C ATOM 187 O LEU A 13 5.307 5.094 -6.805 1.00 0.00 O ATOM 188 CB LEU A 13 7.430 5.659 -4.420 1.00 0.00 C ATOM 189 CG LEU A 13 8.376 5.785 -5.615 1.00 0.00 C ATOM 190 CD1 LEU A 13 9.754 6.283 -5.173 1.00 0.00 C ATOM 191 CD2 LEU A 13 8.463 4.468 -6.388 1.00 0.00 C ATOM 0 H LEU A 13 5.628 5.615 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 13 5.980 6.960 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.799 6.302 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.476 4.634 -4.052 1.00 0.00 H new ATOM 0 HG LEU A 13 7.967 6.531 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.408 6.364 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.654 7.261 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.184 5.579 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.142 4.586 -7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.836 3.683 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.473 4.195 -6.754 1.00 0.00 H new ATOM 202 N MET A 14 4.568 4.061 -4.934 1.00 0.00 N ATOM 203 CA MET A 14 3.834 3.036 -5.656 1.00 0.00 C ATOM 204 C MET A 14 2.604 3.627 -6.347 1.00 0.00 C ATOM 205 O MET A 14 2.370 3.375 -7.528 1.00 0.00 O ATOM 206 CB MET A 14 3.396 1.940 -4.682 1.00 0.00 C ATOM 207 CG MET A 14 4.486 0.878 -4.526 1.00 0.00 C ATOM 208 SD MET A 14 4.451 0.206 -2.874 1.00 0.00 S ATOM 209 CE MET A 14 5.735 -1.025 -3.011 1.00 0.00 C ATOM 0 H MET A 14 4.516 3.987 -3.918 1.00 0.00 H new ATOM 0 HA MET A 14 4.489 2.615 -6.419 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.171 2.380 -3.711 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.478 1.474 -5.042 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.336 0.081 -5.255 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.463 1.316 -4.729 1.00 0.00 H new ATOM 0 HE1 MET A 14 5.969 -1.419 -2.022 1.00 0.00 H new ATOM 0 HE2 MET A 14 5.394 -1.837 -3.653 1.00 0.00 H new ATOM 0 HE3 MET A 14 6.628 -0.573 -3.442 1.00 0.00 H new ATOM 217 N ASP A 15 1.850 4.402 -5.582 1.00 0.00 N ATOM 218 CA ASP A 15 0.649 5.032 -6.106 1.00 0.00 C ATOM 219 C ASP A 15 0.902 5.484 -7.546 1.00 0.00 C ATOM 220 O ASP A 15 1.494 6.537 -7.775 1.00 0.00 O ATOM 221 CB ASP A 15 0.270 6.264 -5.283 1.00 0.00 C ATOM 222 CG ASP A 15 -0.691 7.234 -5.976 1.00 0.00 C ATOM 223 OD1 ASP A 15 -1.655 6.732 -6.595 1.00 0.00 O ATOM 224 OD2 ASP A 15 -0.440 8.453 -5.871 1.00 0.00 O ATOM 0 H ASP A 15 2.047 4.608 -4.603 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.161 4.304 -6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.183 5.933 -4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.181 6.803 -5.022 1.00 0.00 H new ATOM 228 N VAL A 16 0.440 4.664 -8.479 1.00 0.00 N ATOM 229 CA VAL A 16 0.609 4.965 -9.890 1.00 0.00 C ATOM 230 C VAL A 16 -0.742 4.850 -10.597 1.00 0.00 C ATOM 231 O VAL A 16 -1.081 3.791 -11.126 1.00 0.00 O ATOM 232 CB VAL A 16 1.682 4.057 -10.495 1.00 0.00 C ATOM 233 CG1 VAL A 16 1.434 2.594 -10.122 1.00 0.00 C ATOM 234 CG2 VAL A 16 1.753 4.231 -12.013 1.00 0.00 C ATOM 0 H VAL A 16 -0.051 3.791 -8.285 1.00 0.00 H new ATOM 0 HA VAL A 16 0.958 5.989 -10.023 1.00 0.00 H new ATOM 0 HB VAL A 16 2.645 4.351 -10.078 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.210 1.969 -10.564 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.455 2.486 -9.038 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.460 2.283 -10.498 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.523 3.575 -12.419 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.789 3.976 -12.454 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.997 5.267 -12.249 1.00 0.00 H new ATOM 244 N ASP A 17 -1.478 5.950 -10.584 1.00 0.00 N ATOM 245 CA ASP A 17 -2.785 5.986 -11.217 1.00 0.00 C ATOM 246 C ASP A 17 -3.267 7.435 -11.306 1.00 0.00 C ATOM 247 O ASP A 17 -3.359 7.997 -12.395 1.00 0.00 O ATOM 248 CB ASP A 17 -3.812 5.195 -10.404 1.00 0.00 C ATOM 249 CG ASP A 17 -5.271 5.432 -10.799 1.00 0.00 C ATOM 250 OD1 ASP A 17 -5.742 6.569 -10.574 1.00 0.00 O ATOM 251 OD2 ASP A 17 -5.883 4.473 -11.317 1.00 0.00 O ATOM 0 H ASP A 17 -1.194 6.825 -10.144 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.691 5.544 -12.209 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.592 4.132 -10.505 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.691 5.447 -9.350 1.00 0.00 H new ATOM 255 N GLY A 18 -3.561 7.999 -10.144 1.00 0.00 N ATOM 256 CA GLY A 18 -4.031 9.372 -10.075 1.00 0.00 C ATOM 257 C GLY A 18 -5.105 9.532 -8.997 1.00 0.00 C ATOM 258 O GLY A 18 -6.146 10.140 -9.238 1.00 0.00 O ATOM 0 H GLY A 18 -3.483 7.530 -9.242 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.194 10.036 -9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.435 9.671 -11.042 1.00 0.00 H new ATOM 262 N ASP A 19 -4.814 8.975 -7.831 1.00 0.00 N ATOM 263 CA ASP A 19 -5.742 9.047 -6.715 1.00 0.00 C ATOM 264 C ASP A 19 -4.967 9.354 -5.432 1.00 0.00 C ATOM 265 O ASP A 19 -5.359 10.226 -4.658 1.00 0.00 O ATOM 266 CB ASP A 19 -6.474 7.719 -6.520 1.00 0.00 C ATOM 267 CG ASP A 19 -6.564 6.840 -7.768 1.00 0.00 C ATOM 268 OD1 ASP A 19 -7.255 7.270 -8.717 1.00 0.00 O ATOM 269 OD2 ASP A 19 -5.938 5.758 -7.747 1.00 0.00 O ATOM 0 H ASP A 19 -3.949 8.472 -7.635 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.469 9.830 -6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.971 7.156 -5.734 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.484 7.927 -6.167 1.00 0.00 H new ATOM 273 N GLY A 20 -3.879 8.619 -5.246 1.00 0.00 N ATOM 274 CA GLY A 20 -3.046 8.800 -4.069 1.00 0.00 C ATOM 275 C GLY A 20 -3.291 7.689 -3.046 1.00 0.00 C ATOM 276 O GLY A 20 -2.677 7.675 -1.980 1.00 0.00 O ATOM 0 H GLY A 20 -3.556 7.898 -5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.996 8.806 -4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.256 9.769 -3.616 1.00 0.00 H new ATOM 280 N LYS A 21 -4.189 6.784 -3.408 1.00 0.00 N ATOM 281 CA LYS A 21 -4.522 5.671 -2.535 1.00 0.00 C ATOM 282 C LYS A 21 -3.746 4.430 -2.978 1.00 0.00 C ATOM 283 O LYS A 21 -3.404 4.294 -4.151 1.00 0.00 O ATOM 284 CB LYS A 21 -6.038 5.465 -2.486 1.00 0.00 C ATOM 285 CG LYS A 21 -6.592 5.137 -3.875 1.00 0.00 C ATOM 286 CD LYS A 21 -7.799 6.017 -4.205 1.00 0.00 C ATOM 287 CE LYS A 21 -8.537 5.494 -5.438 1.00 0.00 C ATOM 288 NZ LYS A 21 -9.550 6.474 -5.890 1.00 0.00 N ATOM 0 H LYS A 21 -4.696 6.799 -4.293 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.219 5.886 -1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.277 4.656 -1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.519 6.365 -2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.814 5.284 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.881 4.087 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.479 6.042 -3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.470 7.041 -4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.825 5.301 -6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.019 4.545 -5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.474 6.004 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.616 7.248 -5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.272 6.859 -6.815 1.00 0.00 H new ATOM 298 N LEU A 22 -3.490 3.556 -2.015 1.00 0.00 N ATOM 299 CA LEU A 22 -2.761 2.331 -2.292 1.00 0.00 C ATOM 300 C LEU A 22 -3.756 1.190 -2.515 1.00 0.00 C ATOM 301 O LEU A 22 -4.147 0.508 -1.569 1.00 0.00 O ATOM 302 CB LEU A 22 -1.743 2.052 -1.184 1.00 0.00 C ATOM 303 CG LEU A 22 -0.487 1.287 -1.605 1.00 0.00 C ATOM 304 CD1 LEU A 22 0.056 1.813 -2.935 1.00 0.00 C ATOM 305 CD2 LEU A 22 0.571 1.321 -0.500 1.00 0.00 C ATOM 0 H LEU A 22 -3.775 3.673 -1.042 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.180 2.432 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.436 3.004 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.240 1.488 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.759 0.243 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.949 1.252 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.701 1.694 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.308 2.869 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.454 0.770 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.845 2.355 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.169 0.862 0.403 1.00 0.00 H new ATOM 316 N THR A 23 -4.134 1.015 -3.772 1.00 0.00 N ATOM 317 CA THR A 23 -5.076 -0.031 -4.132 1.00 0.00 C ATOM 318 C THR A 23 -4.328 -1.304 -4.537 1.00 0.00 C ATOM 319 O THR A 23 -3.150 -1.251 -4.888 1.00 0.00 O ATOM 320 CB THR A 23 -5.991 0.512 -5.231 1.00 0.00 C ATOM 321 OG1 THR A 23 -5.269 0.270 -6.436 1.00 0.00 O ATOM 322 CG2 THR A 23 -6.128 2.035 -5.178 1.00 0.00 C ATOM 0 H THR A 23 -3.805 1.580 -4.555 1.00 0.00 H new ATOM 0 HA THR A 23 -5.698 -0.312 -3.283 1.00 0.00 H new ATOM 0 HB THR A 23 -6.977 0.055 -5.141 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.887 0.284 -7.196 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.788 2.369 -5.979 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.547 2.329 -4.216 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.147 2.493 -5.301 1.00 0.00 H new ATOM 330 N LYS A 24 -5.045 -2.417 -4.476 1.00 0.00 N ATOM 331 CA LYS A 24 -4.464 -3.700 -4.833 1.00 0.00 C ATOM 332 C LYS A 24 -3.983 -3.652 -6.284 1.00 0.00 C ATOM 333 O LYS A 24 -2.881 -4.103 -6.591 1.00 0.00 O ATOM 334 CB LYS A 24 -5.454 -4.832 -4.551 1.00 0.00 C ATOM 335 CG LYS A 24 -4.865 -6.187 -4.950 1.00 0.00 C ATOM 336 CD LYS A 24 -5.250 -7.271 -3.941 1.00 0.00 C ATOM 337 CE LYS A 24 -5.869 -8.480 -4.645 1.00 0.00 C ATOM 338 NZ LYS A 24 -7.328 -8.291 -4.815 1.00 0.00 N ATOM 0 H LYS A 24 -6.022 -2.457 -4.185 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.591 -3.908 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.710 -4.840 -3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.379 -4.657 -5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.222 -6.465 -5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.779 -6.112 -5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.367 -7.583 -3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.957 -6.865 -3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.399 -8.621 -5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.679 -9.383 -4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.732 -9.121 -5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.774 -8.178 -3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.504 -7.441 -5.388 1.00 0.00 H new ATOM 348 N GLU A 25 -4.832 -3.100 -7.138 1.00 0.00 N ATOM 349 CA GLU A 25 -4.507 -2.987 -8.550 1.00 0.00 C ATOM 350 C GLU A 25 -3.147 -2.309 -8.728 1.00 0.00 C ATOM 351 O GLU A 25 -2.219 -2.904 -9.273 1.00 0.00 O ATOM 352 CB GLU A 25 -5.601 -2.230 -9.305 1.00 0.00 C ATOM 353 CG GLU A 25 -6.546 -3.200 -10.017 1.00 0.00 C ATOM 354 CD GLU A 25 -7.451 -2.459 -11.003 1.00 0.00 C ATOM 355 OE1 GLU A 25 -7.030 -2.327 -12.172 1.00 0.00 O ATOM 356 OE2 GLU A 25 -8.544 -2.039 -10.564 1.00 0.00 O ATOM 0 H GLU A 25 -5.745 -2.726 -6.879 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.449 -3.990 -8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.166 -1.611 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.147 -1.558 -10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.966 -3.955 -10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.156 -3.725 -9.282 1.00 0.00 H new ATOM 361 N GLU A 26 -3.073 -1.071 -8.258 1.00 0.00 N ATOM 362 CA GLU A 26 -1.841 -0.305 -8.359 1.00 0.00 C ATOM 363 C GLU A 26 -0.709 -1.022 -7.621 1.00 0.00 C ATOM 364 O GLU A 26 0.456 -0.905 -8.002 1.00 0.00 O ATOM 365 CB GLU A 26 -2.034 1.114 -7.823 1.00 0.00 C ATOM 366 CG GLU A 26 -3.218 1.803 -8.505 1.00 0.00 C ATOM 367 CD GLU A 26 -3.170 3.317 -8.289 1.00 0.00 C ATOM 368 OE1 GLU A 26 -2.073 3.883 -8.482 1.00 0.00 O ATOM 369 OE2 GLU A 26 -4.232 3.873 -7.935 1.00 0.00 O ATOM 0 H GLU A 26 -3.845 -0.580 -7.807 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.569 -0.226 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.200 1.080 -6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.127 1.695 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.205 1.584 -9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.152 1.405 -8.109 1.00 0.00 H new ATOM 374 N VAL A 27 -1.089 -1.747 -6.580 1.00 0.00 N ATOM 375 CA VAL A 27 -0.119 -2.482 -5.786 1.00 0.00 C ATOM 376 C VAL A 27 0.439 -3.640 -6.615 1.00 0.00 C ATOM 377 O VAL A 27 1.594 -3.604 -7.038 1.00 0.00 O ATOM 378 CB VAL A 27 -0.759 -2.941 -4.473 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.307 -4.356 -4.109 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.451 -1.958 -3.341 1.00 0.00 C ATOM 0 H VAL A 27 -2.055 -1.841 -6.268 1.00 0.00 H new ATOM 0 HA VAL A 27 0.720 -1.840 -5.517 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.840 -2.961 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.776 -4.658 -3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.599 -5.046 -4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.777 -4.374 -3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.917 -2.307 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.628 -1.892 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.844 -0.974 -3.596 1.00 0.00 H new ATOM 390 N THR A 28 -0.405 -4.640 -6.821 1.00 0.00 N ATOM 391 CA THR A 28 -0.009 -5.806 -7.591 1.00 0.00 C ATOM 392 C THR A 28 0.760 -5.382 -8.844 1.00 0.00 C ATOM 393 O THR A 28 1.660 -6.091 -9.294 1.00 0.00 O ATOM 394 CB THR A 28 -1.268 -6.620 -7.899 1.00 0.00 C ATOM 395 OG1 THR A 28 -1.710 -7.071 -6.621 1.00 0.00 O ATOM 396 CG2 THR A 28 -0.961 -7.909 -8.663 1.00 0.00 C ATOM 0 H THR A 28 -1.362 -4.667 -6.468 1.00 0.00 H new ATOM 0 HA THR A 28 0.675 -6.439 -7.025 1.00 0.00 H new ATOM 0 HB THR A 28 -1.961 -6.011 -8.480 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.524 -7.606 -6.727 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.889 -8.448 -8.855 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.480 -7.665 -9.610 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.295 -8.534 -8.069 1.00 0.00 H new ATOM 404 N SER A 29 0.378 -4.229 -9.372 1.00 0.00 N ATOM 405 CA SER A 29 1.021 -3.702 -10.563 1.00 0.00 C ATOM 406 C SER A 29 2.471 -3.324 -10.252 1.00 0.00 C ATOM 407 O SER A 29 3.396 -3.798 -10.912 1.00 0.00 O ATOM 408 CB SER A 29 0.263 -2.491 -11.109 1.00 0.00 C ATOM 409 OG SER A 29 -0.577 -2.836 -12.208 1.00 0.00 O ATOM 0 H SER A 29 -0.369 -3.645 -8.997 1.00 0.00 H new ATOM 0 HA SER A 29 1.010 -4.478 -11.328 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.341 -2.054 -10.314 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.976 -1.729 -11.423 1.00 0.00 H new ATOM 0 HG SER A 29 -1.044 -2.036 -12.526 1.00 0.00 H new ATOM 414 N PHE A 30 2.625 -2.474 -9.248 1.00 0.00 N ATOM 415 CA PHE A 30 3.947 -2.026 -8.842 1.00 0.00 C ATOM 416 C PHE A 30 4.688 -3.128 -8.082 1.00 0.00 C ATOM 417 O PHE A 30 5.908 -3.247 -8.188 1.00 0.00 O ATOM 418 CB PHE A 30 3.746 -0.828 -7.912 1.00 0.00 C ATOM 419 CG PHE A 30 4.946 0.121 -7.853 1.00 0.00 C ATOM 420 CD1 PHE A 30 5.994 -0.159 -7.034 1.00 0.00 C ATOM 421 CD2 PHE A 30 4.962 1.244 -8.620 1.00 0.00 C ATOM 422 CE1 PHE A 30 7.107 0.722 -6.980 1.00 0.00 C ATOM 423 CE2 PHE A 30 6.075 2.124 -8.566 1.00 0.00 C ATOM 424 CZ PHE A 30 7.125 1.844 -7.747 1.00 0.00 C ATOM 0 H PHE A 30 1.856 -2.083 -8.703 1.00 0.00 H new ATOM 0 HA PHE A 30 4.539 -1.765 -9.719 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.869 -0.269 -8.240 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.534 -1.193 -6.907 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.981 -1.051 -6.425 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.129 1.466 -9.270 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.940 0.500 -6.329 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.088 3.016 -9.175 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.972 2.513 -7.706 1.00 0.00 H new ATOM 433 N PHE A 31 3.921 -3.906 -7.333 1.00 0.00 N ATOM 434 CA PHE A 31 4.490 -4.994 -6.556 1.00 0.00 C ATOM 435 C PHE A 31 4.756 -6.216 -7.437 1.00 0.00 C ATOM 436 O PHE A 31 5.540 -7.091 -7.070 1.00 0.00 O ATOM 437 CB PHE A 31 3.462 -5.365 -5.486 1.00 0.00 C ATOM 438 CG PHE A 31 3.521 -4.488 -4.234 1.00 0.00 C ATOM 439 CD1 PHE A 31 4.335 -4.832 -3.201 1.00 0.00 C ATOM 440 CD2 PHE A 31 2.759 -3.364 -4.154 1.00 0.00 C ATOM 441 CE1 PHE A 31 4.390 -4.017 -2.038 1.00 0.00 C ATOM 442 CE2 PHE A 31 2.814 -2.550 -2.993 1.00 0.00 C ATOM 443 CZ PHE A 31 3.628 -2.894 -1.959 1.00 0.00 C ATOM 0 H PHE A 31 2.910 -3.805 -7.248 1.00 0.00 H new ATOM 0 HA PHE A 31 5.438 -4.682 -6.118 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.463 -5.297 -5.918 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.614 -6.405 -5.196 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.940 -5.725 -3.264 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.112 -3.091 -4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.037 -4.290 -1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.209 -1.657 -2.930 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.669 -2.275 -1.075 1.00 0.00 H new ATOM 452 N LYS A 32 4.089 -6.237 -8.581 1.00 0.00 N ATOM 453 CA LYS A 32 4.245 -7.338 -9.518 1.00 0.00 C ATOM 454 C LYS A 32 5.725 -7.711 -9.618 1.00 0.00 C ATOM 455 O LYS A 32 6.060 -8.860 -9.902 1.00 0.00 O ATOM 456 CB LYS A 32 3.606 -6.990 -10.864 1.00 0.00 C ATOM 457 CG LYS A 32 2.485 -7.973 -11.209 1.00 0.00 C ATOM 458 CD LYS A 32 2.510 -8.332 -12.696 1.00 0.00 C ATOM 459 CE LYS A 32 1.263 -9.127 -13.089 1.00 0.00 C ATOM 460 NZ LYS A 32 0.431 -8.352 -14.036 1.00 0.00 N ATOM 0 H LYS A 32 3.439 -5.510 -8.881 1.00 0.00 H new ATOM 0 HA LYS A 32 3.717 -8.222 -9.159 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.208 -5.976 -10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.365 -7.009 -11.646 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.593 -8.878 -10.611 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.520 -7.535 -10.953 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.568 -7.422 -13.293 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.403 -8.916 -12.918 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.556 -10.073 -13.544 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.682 -9.368 -12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.411 -8.906 -14.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.136 -7.460 -13.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.983 -8.144 -14.893 1.00 0.00 H new ATOM 470 N LYS A 33 6.570 -6.720 -9.379 1.00 0.00 N ATOM 471 CA LYS A 33 8.007 -6.930 -9.439 1.00 0.00 C ATOM 472 C LYS A 33 8.519 -7.322 -8.052 1.00 0.00 C ATOM 473 O LYS A 33 9.374 -8.197 -7.926 1.00 0.00 O ATOM 474 CB LYS A 33 8.704 -5.702 -10.028 1.00 0.00 C ATOM 475 CG LYS A 33 10.096 -6.062 -10.554 1.00 0.00 C ATOM 476 CD LYS A 33 11.131 -6.032 -9.427 1.00 0.00 C ATOM 477 CE LYS A 33 12.547 -6.207 -9.980 1.00 0.00 C ATOM 478 NZ LYS A 33 12.929 -5.042 -10.808 1.00 0.00 N ATOM 0 H LYS A 33 6.288 -5.769 -9.143 1.00 0.00 H new ATOM 0 HA LYS A 33 8.244 -7.755 -10.111 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.101 -5.290 -10.837 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.788 -4.927 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.073 -7.054 -11.006 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.385 -5.362 -11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.061 -5.087 -8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.916 -6.824 -8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.253 -6.323 -9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.601 -7.118 -10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.964 -5.011 -10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.494 -5.127 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.599 -4.168 -10.351 1.00 0.00 H new ATOM 488 N HIS A 34 7.974 -6.655 -7.045 1.00 0.00 N ATOM 489 CA HIS A 34 8.364 -6.923 -5.672 1.00 0.00 C ATOM 490 C HIS A 34 7.838 -8.295 -5.246 1.00 0.00 C ATOM 491 O HIS A 34 8.084 -9.294 -5.919 1.00 0.00 O ATOM 492 CB HIS A 34 7.902 -5.796 -4.746 1.00 0.00 C ATOM 493 CG HIS A 34 8.429 -4.433 -5.125 1.00 0.00 C ATOM 494 ND1 HIS A 34 7.967 -3.730 -6.224 1.00 0.00 N ATOM 495 CD2 HIS A 34 9.382 -3.651 -4.540 1.00 0.00 C ATOM 496 CE1 HIS A 34 8.621 -2.579 -6.289 1.00 0.00 C ATOM 497 NE2 HIS A 34 9.497 -2.533 -5.244 1.00 0.00 N ATOM 0 H HIS A 34 7.265 -5.929 -7.153 1.00 0.00 H new ATOM 0 HA HIS A 34 9.451 -6.952 -5.599 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.812 -5.765 -4.744 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.216 -6.025 -3.728 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.246 -4.044 -6.873 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.947 -3.900 -3.654 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.485 -1.812 -7.037 1.00 0.00 H new ATOM 504 N GLY A 35 7.122 -8.298 -4.130 1.00 0.00 N ATOM 505 CA GLY A 35 6.558 -9.531 -3.607 1.00 0.00 C ATOM 506 C GLY A 35 5.036 -9.544 -3.756 1.00 0.00 C ATOM 507 O GLY A 35 4.321 -9.936 -2.835 1.00 0.00 O ATOM 0 H GLY A 35 6.920 -7.467 -3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.986 -10.383 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.825 -9.640 -2.556 1.00 0.00 H new ATOM 511 N ILE A 36 4.584 -9.111 -4.924 1.00 0.00 N ATOM 512 CA ILE A 36 3.160 -9.068 -5.206 1.00 0.00 C ATOM 513 C ILE A 36 2.478 -10.273 -4.554 1.00 0.00 C ATOM 514 O ILE A 36 1.335 -10.179 -4.111 1.00 0.00 O ATOM 515 CB ILE A 36 2.914 -8.964 -6.713 1.00 0.00 C ATOM 516 CG1 ILE A 36 1.430 -9.137 -7.041 1.00 0.00 C ATOM 517 CG2 ILE A 36 3.790 -9.956 -7.481 1.00 0.00 C ATOM 518 CD1 ILE A 36 1.034 -10.614 -7.029 1.00 0.00 C ATOM 0 H ILE A 36 5.180 -8.787 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 36 2.713 -8.174 -4.771 1.00 0.00 H new ATOM 0 HB ILE A 36 3.200 -7.963 -7.037 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.828 -8.590 -6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.218 -8.708 -8.020 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.596 -9.862 -8.549 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.840 -9.743 -7.283 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.559 -10.971 -7.159 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.026 -10.708 -7.265 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.621 -11.154 -7.772 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.224 -11.034 -6.041 1.00 0.00 H new ATOM 529 N GLU A 37 3.210 -11.377 -4.517 1.00 0.00 N ATOM 530 CA GLU A 37 2.690 -12.600 -3.927 1.00 0.00 C ATOM 531 C GLU A 37 2.467 -12.410 -2.425 1.00 0.00 C ATOM 532 O GLU A 37 1.327 -12.364 -1.964 1.00 0.00 O ATOM 533 CB GLU A 37 3.626 -13.780 -4.197 1.00 0.00 C ATOM 534 CG GLU A 37 2.885 -14.915 -4.905 1.00 0.00 C ATOM 535 CD GLU A 37 3.685 -16.218 -4.837 1.00 0.00 C ATOM 536 OE1 GLU A 37 4.845 -16.196 -5.304 1.00 0.00 O ATOM 537 OE2 GLU A 37 3.119 -17.205 -4.320 1.00 0.00 O ATOM 0 H GLU A 37 4.158 -11.451 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 37 1.731 -12.826 -4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.465 -13.451 -4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.041 -14.143 -3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.908 -15.059 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.709 -14.646 -5.947 1.00 0.00 H new ATOM 542 N LYS A 38 3.573 -12.305 -1.703 1.00 0.00 N ATOM 543 CA LYS A 38 3.512 -12.121 -0.263 1.00 0.00 C ATOM 544 C LYS A 38 2.701 -10.863 0.053 1.00 0.00 C ATOM 545 O LYS A 38 1.994 -10.811 1.057 1.00 0.00 O ATOM 546 CB LYS A 38 4.919 -12.112 0.336 1.00 0.00 C ATOM 547 CG LYS A 38 5.817 -13.139 -0.357 1.00 0.00 C ATOM 548 CD LYS A 38 6.639 -13.928 0.664 1.00 0.00 C ATOM 549 CE LYS A 38 6.001 -15.290 0.945 1.00 0.00 C ATOM 550 NZ LYS A 38 6.313 -15.735 2.323 1.00 0.00 N ATOM 0 H LYS A 38 4.517 -12.344 -2.088 1.00 0.00 H new ATOM 0 HA LYS A 38 2.996 -12.959 0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.354 -11.118 0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.865 -12.331 1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.206 -13.824 -0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.485 -12.632 -1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.653 -14.068 0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.716 -13.360 1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.921 -15.226 0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.367 -16.025 0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.872 -16.661 2.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.344 -15.815 2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.942 -15.042 3.004 1.00 0.00 H new ATOM 560 N VAL A 39 2.833 -9.877 -0.824 1.00 0.00 N ATOM 561 CA VAL A 39 2.122 -8.622 -0.651 1.00 0.00 C ATOM 562 C VAL A 39 0.632 -8.843 -0.922 1.00 0.00 C ATOM 563 O VAL A 39 -0.217 -8.226 -0.282 1.00 0.00 O ATOM 564 CB VAL A 39 2.739 -7.544 -1.545 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.917 -6.255 -1.496 1.00 0.00 C ATOM 566 CG2 VAL A 39 4.196 -7.281 -1.160 1.00 0.00 C ATOM 0 H VAL A 39 3.422 -9.923 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 39 2.216 -8.268 0.375 1.00 0.00 H new ATOM 0 HB VAL A 39 2.725 -7.911 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.377 -5.505 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.903 -6.457 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.884 -5.883 -0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.611 -6.511 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.244 -6.945 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.773 -8.199 -1.271 1.00 0.00 H new ATOM 576 N ALA A 40 0.362 -9.726 -1.874 1.00 0.00 N ATOM 577 CA ALA A 40 -1.011 -10.035 -2.237 1.00 0.00 C ATOM 578 C ALA A 40 -1.733 -10.631 -1.027 1.00 0.00 C ATOM 579 O ALA A 40 -2.873 -10.269 -0.741 1.00 0.00 O ATOM 580 CB ALA A 40 -1.018 -10.978 -3.442 1.00 0.00 C ATOM 0 H ALA A 40 1.069 -10.236 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.545 -9.130 -2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.047 -11.211 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.519 -10.497 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.493 -11.899 -3.187 1.00 0.00 H new ATOM 586 N GLU A 41 -1.039 -11.533 -0.349 1.00 0.00 N ATOM 587 CA GLU A 41 -1.600 -12.181 0.824 1.00 0.00 C ATOM 588 C GLU A 41 -1.763 -11.172 1.962 1.00 0.00 C ATOM 589 O GLU A 41 -2.815 -11.110 2.597 1.00 0.00 O ATOM 590 CB GLU A 41 -0.736 -13.366 1.262 1.00 0.00 C ATOM 591 CG GLU A 41 -1.416 -14.156 2.381 1.00 0.00 C ATOM 592 CD GLU A 41 -0.783 -15.540 2.538 1.00 0.00 C ATOM 593 OE1 GLU A 41 -0.376 -16.099 1.497 1.00 0.00 O ATOM 594 OE2 GLU A 41 -0.720 -16.008 3.695 1.00 0.00 O ATOM 0 H GLU A 41 -0.093 -11.830 -0.590 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.585 -12.568 0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.551 -14.021 0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.235 -13.006 1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.336 -13.607 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.479 -14.261 2.163 1.00 0.00 H new ATOM 599 N GLN A 42 -0.707 -10.404 2.186 1.00 0.00 N ATOM 600 CA GLN A 42 -0.719 -9.400 3.235 1.00 0.00 C ATOM 601 C GLN A 42 -1.725 -8.296 2.903 1.00 0.00 C ATOM 602 O GLN A 42 -2.392 -7.771 3.793 1.00 0.00 O ATOM 603 CB GLN A 42 0.679 -8.820 3.456 1.00 0.00 C ATOM 604 CG GLN A 42 1.073 -8.881 4.933 1.00 0.00 C ATOM 605 CD GLN A 42 2.579 -8.670 5.108 1.00 0.00 C ATOM 606 OE1 GLN A 42 3.128 -7.632 4.779 1.00 0.00 O ATOM 607 NE2 GLN A 42 3.211 -9.711 5.644 1.00 0.00 N ATOM 0 H GLN A 42 0.164 -10.457 1.658 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.028 -9.878 4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.404 -9.374 2.860 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.706 -7.786 3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.528 -8.119 5.490 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.787 -9.846 5.350 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.689 -10.550 5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.218 -9.670 5.803 1.00 0.00 H new ATOM 614 N VAL A 43 -1.803 -7.979 1.619 1.00 0.00 N ATOM 615 CA VAL A 43 -2.716 -6.946 1.158 1.00 0.00 C ATOM 616 C VAL A 43 -4.156 -7.447 1.297 1.00 0.00 C ATOM 617 O VAL A 43 -5.029 -6.715 1.762 1.00 0.00 O ATOM 618 CB VAL A 43 -2.363 -6.535 -0.273 1.00 0.00 C ATOM 619 CG1 VAL A 43 -3.525 -5.790 -0.933 1.00 0.00 C ATOM 620 CG2 VAL A 43 -1.085 -5.694 -0.300 1.00 0.00 C ATOM 0 H VAL A 43 -1.250 -8.419 0.884 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.621 -6.050 1.772 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.180 -7.443 -0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.247 -5.510 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.402 -6.436 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.755 -4.892 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.855 -5.414 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.229 -4.794 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.259 -6.274 0.112 1.00 0.00 H new ATOM 630 N MET A 44 -4.358 -8.690 0.886 1.00 0.00 N ATOM 631 CA MET A 44 -5.676 -9.297 0.959 1.00 0.00 C ATOM 632 C MET A 44 -6.188 -9.327 2.401 1.00 0.00 C ATOM 633 O MET A 44 -7.364 -9.071 2.652 1.00 0.00 O ATOM 634 CB MET A 44 -5.614 -10.724 0.410 1.00 0.00 C ATOM 635 CG MET A 44 -7.018 -11.278 0.161 1.00 0.00 C ATOM 636 SD MET A 44 -7.109 -12.976 0.704 1.00 0.00 S ATOM 637 CE MET A 44 -8.173 -12.791 2.125 1.00 0.00 C ATOM 0 H MET A 44 -3.631 -9.293 0.501 1.00 0.00 H new ATOM 0 HA MET A 44 -6.363 -8.698 0.361 1.00 0.00 H new ATOM 0 HB2 MET A 44 -5.045 -10.735 -0.520 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.086 -11.366 1.115 1.00 0.00 H new ATOM 0 HG2 MET A 44 -7.755 -10.677 0.694 1.00 0.00 H new ATOM 0 HG3 MET A 44 -7.261 -11.213 -0.900 1.00 0.00 H new ATOM 0 HE1 MET A 44 -8.335 -13.765 2.588 1.00 0.00 H new ATOM 0 HE2 MET A 44 -7.705 -12.120 2.845 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.130 -12.375 1.811 1.00 0.00 H new ATOM 645 N LYS A 45 -5.277 -9.642 3.311 1.00 0.00 N ATOM 646 CA LYS A 45 -5.621 -9.709 4.721 1.00 0.00 C ATOM 647 C LYS A 45 -5.634 -8.295 5.307 1.00 0.00 C ATOM 648 O LYS A 45 -6.276 -8.048 6.325 1.00 0.00 O ATOM 649 CB LYS A 45 -4.684 -10.670 5.456 1.00 0.00 C ATOM 650 CG LYS A 45 -5.422 -11.943 5.873 1.00 0.00 C ATOM 651 CD LYS A 45 -4.645 -12.699 6.953 1.00 0.00 C ATOM 652 CE LYS A 45 -5.550 -13.688 7.689 1.00 0.00 C ATOM 653 NZ LYS A 45 -4.741 -14.647 8.475 1.00 0.00 N ATOM 0 H LYS A 45 -4.302 -9.853 3.099 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.624 -10.117 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.843 -10.927 4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.272 -10.179 6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.414 -11.687 6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.564 -12.586 5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.810 -13.233 6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.221 -11.990 7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.227 -13.147 8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.168 -14.227 6.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.372 -15.311 8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.112 -15.176 7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.170 -14.129 9.173 1.00 0.00 H new ATOM 663 N ALA A 46 -4.916 -7.406 4.636 1.00 0.00 N ATOM 664 CA ALA A 46 -4.837 -6.024 5.077 1.00 0.00 C ATOM 665 C ALA A 46 -6.143 -5.306 4.728 1.00 0.00 C ATOM 666 O ALA A 46 -6.760 -4.680 5.589 1.00 0.00 O ATOM 667 CB ALA A 46 -3.616 -5.354 4.442 1.00 0.00 C ATOM 0 H ALA A 46 -4.384 -7.616 3.791 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.711 -5.973 6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.557 -4.317 4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.712 -5.883 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.708 -5.384 3.356 1.00 0.00 H new ATOM 673 N ASP A 47 -6.526 -5.421 3.465 1.00 0.00 N ATOM 674 CA ASP A 47 -7.746 -4.791 2.992 1.00 0.00 C ATOM 675 C ASP A 47 -8.906 -5.184 3.910 1.00 0.00 C ATOM 676 O ASP A 47 -9.852 -4.417 4.085 1.00 0.00 O ATOM 677 CB ASP A 47 -8.090 -5.251 1.575 1.00 0.00 C ATOM 678 CG ASP A 47 -8.931 -4.266 0.762 1.00 0.00 C ATOM 679 OD1 ASP A 47 -9.221 -3.180 1.308 1.00 0.00 O ATOM 680 OD2 ASP A 47 -9.266 -4.620 -0.390 1.00 0.00 O ATOM 0 H ASP A 47 -6.012 -5.942 2.754 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.591 -3.712 2.993 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.162 -5.444 1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.626 -6.198 1.637 1.00 0.00 H new ATOM 684 N ALA A 48 -8.796 -6.378 4.473 1.00 0.00 N ATOM 685 CA ALA A 48 -9.823 -6.882 5.369 1.00 0.00 C ATOM 686 C ALA A 48 -11.133 -7.043 4.595 1.00 0.00 C ATOM 687 O ALA A 48 -11.492 -8.150 4.200 1.00 0.00 O ATOM 688 CB ALA A 48 -9.964 -5.938 6.566 1.00 0.00 C ATOM 0 H ALA A 48 -8.010 -7.012 4.326 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.547 -7.862 5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.734 -6.316 7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.014 -5.881 7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.244 -4.945 6.215 1.00 0.00 H new ATOM 694 N ASN A 49 -11.811 -5.920 4.404 1.00 0.00 N ATOM 695 CA ASN A 49 -13.074 -5.924 3.685 1.00 0.00 C ATOM 696 C ASN A 49 -12.855 -6.490 2.280 1.00 0.00 C ATOM 697 O ASN A 49 -13.763 -7.084 1.699 1.00 0.00 O ATOM 698 CB ASN A 49 -13.629 -4.505 3.541 1.00 0.00 C ATOM 699 CG ASN A 49 -15.154 -4.497 3.669 1.00 0.00 C ATOM 700 OD1 ASN A 49 -15.885 -4.628 2.702 1.00 0.00 O ATOM 701 ND2 ASN A 49 -15.591 -4.337 4.916 1.00 0.00 N ATOM 0 H ASN A 49 -11.510 -5.003 4.734 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.781 -6.534 4.248 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.193 -3.861 4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.339 -4.094 2.574 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.593 -4.319 5.107 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.924 -4.233 5.681 1.00 0.00 H new ATOM 707 N GLY A 50 -11.647 -6.287 1.777 1.00 0.00 N ATOM 708 CA GLY A 50 -11.298 -6.771 0.451 1.00 0.00 C ATOM 709 C GLY A 50 -11.955 -5.916 -0.635 1.00 0.00 C ATOM 710 O GLY A 50 -12.617 -6.443 -1.527 1.00 0.00 O ATOM 0 H GLY A 50 -10.897 -5.794 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.215 -6.754 0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.615 -7.808 0.344 1.00 0.00 H new ATOM 714 N ASP A 51 -11.747 -4.613 -0.523 1.00 0.00 N ATOM 715 CA ASP A 51 -12.311 -3.680 -1.485 1.00 0.00 C ATOM 716 C ASP A 51 -12.043 -2.248 -1.017 1.00 0.00 C ATOM 717 O ASP A 51 -12.957 -1.426 -0.970 1.00 0.00 O ATOM 718 CB ASP A 51 -13.825 -3.862 -1.606 1.00 0.00 C ATOM 719 CG ASP A 51 -14.381 -3.733 -3.026 1.00 0.00 C ATOM 720 OD1 ASP A 51 -13.597 -3.315 -3.905 1.00 0.00 O ATOM 721 OD2 ASP A 51 -15.575 -4.056 -3.200 1.00 0.00 O ATOM 0 H ASP A 51 -11.196 -4.181 0.219 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.846 -3.871 -2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.090 -4.845 -1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.316 -3.124 -0.971 1.00 0.00 H new ATOM 725 N GLY A 52 -10.786 -1.994 -0.683 1.00 0.00 N ATOM 726 CA GLY A 52 -10.388 -0.675 -0.221 1.00 0.00 C ATOM 727 C GLY A 52 -8.880 -0.470 -0.383 1.00 0.00 C ATOM 728 O GLY A 52 -8.102 -1.411 -0.228 1.00 0.00 O ATOM 0 H GLY A 52 -10.031 -2.678 -0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.925 0.089 -0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.665 -0.554 0.826 1.00 0.00 H new ATOM 732 N TYR A 53 -8.513 0.764 -0.693 1.00 0.00 N ATOM 733 CA TYR A 53 -7.112 1.104 -0.879 1.00 0.00 C ATOM 734 C TYR A 53 -6.527 1.731 0.389 1.00 0.00 C ATOM 735 O TYR A 53 -7.268 2.112 1.295 1.00 0.00 O ATOM 736 CB TYR A 53 -7.074 2.135 -2.007 1.00 0.00 C ATOM 737 CG TYR A 53 -8.170 3.199 -1.915 1.00 0.00 C ATOM 738 CD1 TYR A 53 -8.269 3.992 -0.790 1.00 0.00 C ATOM 739 CD2 TYR A 53 -9.058 3.367 -2.958 1.00 0.00 C ATOM 740 CE1 TYR A 53 -9.300 4.993 -0.703 1.00 0.00 C ATOM 741 CE2 TYR A 53 -10.089 4.369 -2.872 1.00 0.00 C ATOM 742 CZ TYR A 53 -10.160 5.132 -1.748 1.00 0.00 C ATOM 743 OH TYR A 53 -11.134 6.078 -1.667 1.00 0.00 O ATOM 0 H TYR A 53 -9.161 1.541 -0.820 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.528 0.213 -1.108 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.102 2.628 -2.002 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.164 1.617 -2.962 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.573 3.862 0.025 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.980 2.747 -3.839 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.389 5.620 0.172 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.790 4.511 -3.681 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.672 6.064 -2.486 1.00 0.00 H new ATOM 752 N ILE A 54 -5.206 1.819 0.413 1.00 0.00 N ATOM 753 CA ILE A 54 -4.515 2.393 1.554 1.00 0.00 C ATOM 754 C ILE A 54 -4.094 3.826 1.223 1.00 0.00 C ATOM 755 O ILE A 54 -3.176 4.040 0.432 1.00 0.00 O ATOM 756 CB ILE A 54 -3.352 1.495 1.983 1.00 0.00 C ATOM 757 CG1 ILE A 54 -3.699 0.719 3.256 1.00 0.00 C ATOM 758 CG2 ILE A 54 -2.063 2.303 2.139 1.00 0.00 C ATOM 759 CD1 ILE A 54 -4.467 -0.562 2.924 1.00 0.00 C ATOM 0 H ILE A 54 -4.595 1.502 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.182 2.447 2.415 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.179 0.762 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.785 0.470 3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.298 1.346 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.253 1.641 2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.810 2.771 1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.206 3.074 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.701 -1.095 3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.392 -0.308 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.855 -1.197 2.283 1.00 0.00 H new ATOM 770 N THR A 55 -4.786 4.770 1.843 1.00 0.00 N ATOM 771 CA THR A 55 -4.497 6.176 1.623 1.00 0.00 C ATOM 772 C THR A 55 -3.612 6.720 2.747 1.00 0.00 C ATOM 773 O THR A 55 -3.798 6.374 3.912 1.00 0.00 O ATOM 774 CB THR A 55 -5.827 6.918 1.485 1.00 0.00 C ATOM 775 OG1 THR A 55 -6.423 6.805 2.775 1.00 0.00 O ATOM 776 CG2 THR A 55 -6.807 6.195 0.559 1.00 0.00 C ATOM 0 H THR A 55 -5.547 4.588 2.498 1.00 0.00 H new ATOM 0 HA THR A 55 -3.930 6.323 0.704 1.00 0.00 H new ATOM 0 HB THR A 55 -5.644 7.924 1.107 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.372 7.042 2.719 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.735 6.764 0.496 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.369 6.104 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.017 5.202 0.955 1.00 0.00 H new ATOM 784 N LEU A 56 -2.668 7.564 2.357 1.00 0.00 N ATOM 785 CA LEU A 56 -1.753 8.160 3.317 1.00 0.00 C ATOM 786 C LEU A 56 -2.520 8.517 4.591 1.00 0.00 C ATOM 787 O LEU A 56 -2.028 8.299 5.698 1.00 0.00 O ATOM 788 CB LEU A 56 -1.016 9.346 2.690 1.00 0.00 C ATOM 789 CG LEU A 56 -1.898 10.425 2.058 1.00 0.00 C ATOM 790 CD1 LEU A 56 -1.854 11.717 2.878 1.00 0.00 C ATOM 791 CD2 LEU A 56 -1.514 10.660 0.597 1.00 0.00 C ATOM 0 H LEU A 56 -2.517 7.850 1.390 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.979 7.447 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.399 9.813 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.339 8.965 1.926 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.929 10.073 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.489 12.468 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.213 11.519 3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.829 12.085 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.156 11.431 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.474 10.982 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.638 9.734 0.035 1.00 0.00 H new ATOM 802 N GLU A 57 -3.714 9.058 4.394 1.00 0.00 N ATOM 803 CA GLU A 57 -4.553 9.446 5.515 1.00 0.00 C ATOM 804 C GLU A 57 -4.867 8.232 6.389 1.00 0.00 C ATOM 805 O GLU A 57 -4.707 8.280 7.607 1.00 0.00 O ATOM 806 CB GLU A 57 -5.839 10.119 5.029 1.00 0.00 C ATOM 807 CG GLU A 57 -6.615 9.201 4.083 1.00 0.00 C ATOM 808 CD GLU A 57 -7.817 9.927 3.477 1.00 0.00 C ATOM 809 OE1 GLU A 57 -8.733 10.260 4.260 1.00 0.00 O ATOM 810 OE2 GLU A 57 -7.794 10.133 2.245 1.00 0.00 O ATOM 0 H GLU A 57 -4.120 9.237 3.475 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.007 10.171 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.464 10.378 5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.595 11.051 4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.957 8.853 3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.954 8.318 4.625 1.00 0.00 H new ATOM 815 N GLU A 58 -5.310 7.168 5.733 1.00 0.00 N ATOM 816 CA GLU A 58 -5.648 5.943 6.436 1.00 0.00 C ATOM 817 C GLU A 58 -4.377 5.207 6.862 1.00 0.00 C ATOM 818 O GLU A 58 -4.274 4.744 7.998 1.00 0.00 O ATOM 819 CB GLU A 58 -6.538 5.044 5.574 1.00 0.00 C ATOM 820 CG GLU A 58 -7.821 5.771 5.168 1.00 0.00 C ATOM 821 CD GLU A 58 -9.057 5.036 5.694 1.00 0.00 C ATOM 822 OE1 GLU A 58 -9.397 5.272 6.873 1.00 0.00 O ATOM 823 OE2 GLU A 58 -9.631 4.255 4.904 1.00 0.00 O ATOM 0 H GLU A 58 -5.442 7.130 4.722 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.210 6.205 7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.993 4.734 4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.788 4.138 6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.805 6.789 5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.873 5.846 4.082 1.00 0.00 H new ATOM 828 N PHE A 59 -3.439 5.122 5.930 1.00 0.00 N ATOM 829 CA PHE A 59 -2.177 4.452 6.196 1.00 0.00 C ATOM 830 C PHE A 59 -1.546 4.965 7.493 1.00 0.00 C ATOM 831 O PHE A 59 -0.940 4.196 8.238 1.00 0.00 O ATOM 832 CB PHE A 59 -1.245 4.772 5.026 1.00 0.00 C ATOM 833 CG PHE A 59 -0.238 3.665 4.712 1.00 0.00 C ATOM 834 CD1 PHE A 59 -0.630 2.362 4.739 1.00 0.00 C ATOM 835 CD2 PHE A 59 1.048 3.980 4.404 1.00 0.00 C ATOM 836 CE1 PHE A 59 0.304 1.334 4.446 1.00 0.00 C ATOM 837 CE2 PHE A 59 1.982 2.952 4.111 1.00 0.00 C ATOM 838 CZ PHE A 59 1.590 1.650 4.139 1.00 0.00 C ATOM 0 H PHE A 59 -3.528 5.506 4.989 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.340 3.380 6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.847 4.964 4.138 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.702 5.691 5.248 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.651 2.110 4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.360 5.014 4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.007 0.300 4.467 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.003 3.204 3.866 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.300 0.867 3.917 1.00 0.00 H new ATOM 847 N LEU A 60 -1.709 6.260 7.721 1.00 0.00 N ATOM 848 CA LEU A 60 -1.163 6.883 8.914 1.00 0.00 C ATOM 849 C LEU A 60 -2.092 6.613 10.098 1.00 0.00 C ATOM 850 O LEU A 60 -1.702 5.954 11.060 1.00 0.00 O ATOM 851 CB LEU A 60 -0.899 8.371 8.667 1.00 0.00 C ATOM 852 CG LEU A 60 -0.239 9.134 9.817 1.00 0.00 C ATOM 853 CD1 LEU A 60 0.383 10.441 9.321 1.00 0.00 C ATOM 854 CD2 LEU A 60 -1.230 9.368 10.958 1.00 0.00 C ATOM 0 H LEU A 60 -2.211 6.894 7.100 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.196 6.446 9.162 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.267 8.466 7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.848 8.854 8.434 1.00 0.00 H new ATOM 0 HG LEU A 60 0.571 8.522 10.214 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.846 10.964 10.158 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.139 10.221 8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.392 11.070 8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.736 9.912 11.763 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.076 9.950 10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.586 8.409 11.334 1.00 0.00 H new ATOM 865 N GLU A 61 -3.306 7.134 9.988 1.00 0.00 N ATOM 866 CA GLU A 61 -4.295 6.957 11.037 1.00 0.00 C ATOM 867 C GLU A 61 -4.275 5.514 11.547 1.00 0.00 C ATOM 868 O GLU A 61 -4.457 5.271 12.739 1.00 0.00 O ATOM 869 CB GLU A 61 -5.691 7.345 10.547 1.00 0.00 C ATOM 870 CG GLU A 61 -6.363 8.317 11.519 1.00 0.00 C ATOM 871 CD GLU A 61 -7.203 9.351 10.768 1.00 0.00 C ATOM 872 OE1 GLU A 61 -8.219 8.932 10.172 1.00 0.00 O ATOM 873 OE2 GLU A 61 -6.811 10.538 10.807 1.00 0.00 O ATOM 0 H GLU A 61 -3.627 7.679 9.188 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.040 7.619 11.865 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.620 7.803 9.560 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.304 6.450 10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.996 7.764 12.213 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.604 8.824 12.115 1.00 0.00 H new ATOM 878 N PHE A 62 -4.051 4.595 10.619 1.00 0.00 N ATOM 879 CA PHE A 62 -4.004 3.183 10.960 1.00 0.00 C ATOM 880 C PHE A 62 -2.678 2.826 11.635 1.00 0.00 C ATOM 881 O PHE A 62 -2.646 2.000 12.546 1.00 0.00 O ATOM 882 CB PHE A 62 -4.122 2.404 9.648 1.00 0.00 C ATOM 883 CG PHE A 62 -4.516 0.936 9.831 1.00 0.00 C ATOM 884 CD1 PHE A 62 -3.710 0.098 10.536 1.00 0.00 C ATOM 885 CD2 PHE A 62 -5.673 0.471 9.288 1.00 0.00 C ATOM 886 CE1 PHE A 62 -4.077 -1.264 10.705 1.00 0.00 C ATOM 887 CE2 PHE A 62 -6.040 -0.891 9.457 1.00 0.00 C ATOM 888 CZ PHE A 62 -5.234 -1.729 10.162 1.00 0.00 C ATOM 0 H PHE A 62 -3.900 4.801 9.631 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.810 2.939 11.652 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.861 2.892 9.013 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.169 2.451 9.122 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.791 0.468 10.967 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.313 1.137 8.728 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.437 -1.930 11.265 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.959 -1.261 9.026 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.513 -2.764 10.291 1.00 0.00 H new ATOM 897 N SER A 63 -1.619 3.466 11.163 1.00 0.00 N ATOM 898 CA SER A 63 -0.295 3.225 11.710 1.00 0.00 C ATOM 899 C SER A 63 -0.291 3.503 13.215 1.00 0.00 C ATOM 900 O SER A 63 0.180 2.683 14.000 1.00 0.00 O ATOM 901 CB SER A 63 0.756 4.088 11.009 1.00 0.00 C ATOM 902 OG SER A 63 1.897 4.315 11.832 1.00 0.00 O ATOM 0 H SER A 63 -1.651 4.151 10.408 1.00 0.00 H new ATOM 0 HA SER A 63 -0.040 2.179 11.539 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.067 3.601 10.085 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.313 5.045 10.732 1.00 0.00 H new ATOM 0 HG SER A 63 2.470 4.993 11.417 1.00 0.00 H new ATOM 907 N LEU A 64 -0.824 4.663 13.571 1.00 0.00 N ATOM 908 CA LEU A 64 -0.888 5.060 14.967 1.00 0.00 C ATOM 909 C LEU A 64 -2.065 4.351 15.641 1.00 0.00 C ATOM 910 O LEU A 64 -1.898 3.712 16.679 1.00 0.00 O ATOM 911 CB LEU A 64 -0.937 6.584 15.090 1.00 0.00 C ATOM 912 CG LEU A 64 -0.116 7.193 16.229 1.00 0.00 C ATOM 913 CD1 LEU A 64 0.961 8.133 15.686 1.00 0.00 C ATOM 914 CD2 LEU A 64 -1.023 7.887 17.248 1.00 0.00 C ATOM 0 H LEU A 64 -1.215 5.340 12.917 1.00 0.00 H new ATOM 0 HA LEU A 64 0.015 4.750 15.492 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.593 7.016 14.150 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.977 6.885 15.217 1.00 0.00 H new ATOM 0 HG LEU A 64 0.396 6.385 16.752 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.530 8.552 16.516 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.632 7.578 15.030 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.490 8.940 15.124 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.415 8.311 18.047 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.581 8.683 16.755 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.720 7.162 17.668 1.00 0.00 H new