USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 58:sc= 1.17 USER MOD Set 1.2: A 63 LYS NZ :NH3+ 164:sc= 1.1 (180deg=0.912) USER MOD Set 1.3: A 65 THR OG1 : rot 180:sc=-0.00292 USER MOD Set 2.1: A 3 HIS : no HE2:sc= 0.536 K(o=0.75,f=-6.3!) USER MOD Set 2.2: A 34 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 41 GLN : amide:sc= 0.213 X(o=0.75,f=0.32) USER MOD Set 3.1: A 29 GLN : amide:sc= -0.232 X(o=0.55,f=0.54) USER MOD Set 3.2: A 30 SER OG : rot 14:sc= 0.78 USER MOD Set 4.1: A 17 HIS : no HD1:sc= -1.05 K(o=-1.9,f=0.21) USER MOD Set 4.2: A 62 TYR OH : rot 165:sc= -0.863 USER MOD Set 5.1: A 10 THR OG1 : rot 75:sc= 0.489 USER MOD Set 5.2: A 14 CYS SG : rot -108:sc= -0.0797! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 20:sc= -1.6! USER MOD Single : A 13 SER OG : rot 33:sc= 0.451 USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= 2.08 (180deg=-1.15) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -2.02! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0832 USER MOD Single : A 49 SER OG : rot 180:sc= 0.119 USER MOD Single : A 54 THR OG1 : rot -167:sc= -0.9 USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -3.395 1.160 -2.867 1.00 0.00 N ATOM 35 CA HIS A 3 -4.744 1.144 -2.333 1.00 0.00 C ATOM 36 C HIS A 3 -5.664 1.823 -3.330 1.00 0.00 C ATOM 37 O HIS A 3 -5.442 2.974 -3.703 1.00 0.00 O ATOM 38 CB HIS A 3 -4.854 1.862 -0.980 1.00 0.00 C ATOM 39 CG HIS A 3 -3.632 1.809 -0.111 1.00 0.00 C ATOM 40 ND1 HIS A 3 -3.613 1.195 1.119 1.00 0.00 N ATOM 41 CD2 HIS A 3 -2.395 2.327 -0.286 1.00 0.00 C ATOM 42 CE1 HIS A 3 -2.419 1.339 1.662 1.00 0.00 C ATOM 43 NE2 HIS A 3 -1.657 2.023 0.830 1.00 0.00 N ATOM 0 HA HIS A 3 -5.027 0.104 -2.171 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.101 2.908 -1.164 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.688 1.430 -0.428 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -4.399 0.705 1.545 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.051 2.880 -1.148 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.116 0.960 2.627 1.00 0.00 H new ATOM 52 N LEU A 4 -6.677 1.107 -3.767 1.00 0.00 N ATOM 53 CA LEU A 4 -7.610 1.621 -4.753 1.00 0.00 C ATOM 54 C LEU A 4 -8.828 2.199 -4.057 1.00 0.00 C ATOM 55 O LEU A 4 -9.174 1.781 -2.958 1.00 0.00 O ATOM 56 CB LEU A 4 -8.037 0.513 -5.716 1.00 0.00 C ATOM 57 CG LEU A 4 -7.389 0.564 -7.098 1.00 0.00 C ATOM 58 CD1 LEU A 4 -6.071 -0.191 -7.100 1.00 0.00 C ATOM 59 CD2 LEU A 4 -8.334 -0.009 -8.144 1.00 0.00 C ATOM 0 H LEU A 4 -6.879 0.158 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.116 2.406 -5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.807 -0.450 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.119 0.558 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.185 1.606 -7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.626 -0.143 -8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.392 0.260 -6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.248 -1.233 -6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.860 0.033 -9.125 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.565 -1.045 -7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.255 0.574 -8.161 1.00 0.00 H new ATOM 71 N LYS A 5 -9.466 3.161 -4.689 1.00 0.00 N ATOM 72 CA LYS A 5 -10.667 3.763 -4.136 1.00 0.00 C ATOM 73 C LYS A 5 -11.885 3.329 -4.932 1.00 0.00 C ATOM 74 O LYS A 5 -11.907 3.434 -6.159 1.00 0.00 O ATOM 75 CB LYS A 5 -10.557 5.287 -4.127 1.00 0.00 C ATOM 76 CG LYS A 5 -11.499 5.962 -3.142 1.00 0.00 C ATOM 77 CD LYS A 5 -10.884 6.045 -1.755 1.00 0.00 C ATOM 78 CE LYS A 5 -11.940 6.277 -0.689 1.00 0.00 C ATOM 79 NZ LYS A 5 -11.886 7.661 -0.153 1.00 0.00 N ATOM 0 H LYS A 5 -9.175 3.546 -5.588 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.778 3.423 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.532 5.567 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.763 5.663 -5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.740 6.965 -3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.436 5.407 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.345 5.122 -1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.154 6.854 -1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.928 6.088 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.798 5.566 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.622 7.781 0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.952 7.833 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.047 8.339 -0.925 1.00 0.00 H new ATOM 93 N ILE A 6 -12.886 2.831 -4.234 1.00 0.00 N ATOM 94 CA ILE A 6 -14.110 2.376 -4.875 1.00 0.00 C ATOM 95 C ILE A 6 -15.176 3.457 -4.772 1.00 0.00 C ATOM 96 O ILE A 6 -15.579 3.835 -3.673 1.00 0.00 O ATOM 97 CB ILE A 6 -14.632 1.066 -4.242 1.00 0.00 C ATOM 98 CG1 ILE A 6 -13.552 -0.024 -4.286 1.00 0.00 C ATOM 99 CG2 ILE A 6 -15.897 0.593 -4.950 1.00 0.00 C ATOM 100 CD1 ILE A 6 -12.958 -0.245 -5.663 1.00 0.00 C ATOM 0 H ILE A 6 -12.878 2.730 -3.219 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.885 2.175 -5.923 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.877 1.266 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.752 0.242 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.981 -0.961 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.248 -0.330 -4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.669 1.358 -4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -15.679 0.413 -6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.203 -1.030 -5.612 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -13.745 -0.543 -6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.498 0.679 -6.013 1.00 0.00 H new ATOM 112 N THR A 7 -15.625 3.957 -5.913 1.00 0.00 N ATOM 113 CA THR A 7 -16.559 5.068 -5.932 1.00 0.00 C ATOM 114 C THR A 7 -17.733 4.782 -6.862 1.00 0.00 C ATOM 115 O THR A 7 -17.637 3.952 -7.773 1.00 0.00 O ATOM 116 CB THR A 7 -15.853 6.368 -6.366 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.512 6.074 -6.796 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.817 7.372 -5.220 1.00 0.00 C ATOM 0 H THR A 7 -15.358 3.611 -6.835 1.00 0.00 H new ATOM 0 HA THR A 7 -16.941 5.195 -4.919 1.00 0.00 H new ATOM 0 HB THR A 7 -16.413 6.805 -7.192 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.539 5.432 -7.536 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.314 8.282 -5.549 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.835 7.611 -4.913 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.275 6.943 -4.377 1.00 0.00 H new ATOM 126 N GLY A 8 -18.847 5.446 -6.603 1.00 0.00 N ATOM 127 CA GLY A 8 -20.023 5.293 -7.431 1.00 0.00 C ATOM 128 C GLY A 8 -20.990 4.265 -6.878 1.00 0.00 C ATOM 129 O GLY A 8 -22.200 4.500 -6.840 1.00 0.00 O ATOM 0 H GLY A 8 -18.958 6.096 -5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.530 6.254 -7.519 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.720 4.999 -8.436 1.00 0.00 H new ATOM 133 N MET A 9 -20.461 3.122 -6.460 1.00 0.00 N ATOM 134 CA MET A 9 -21.292 2.044 -5.938 1.00 0.00 C ATOM 135 C MET A 9 -21.553 2.207 -4.441 1.00 0.00 C ATOM 136 O MET A 9 -21.129 3.184 -3.821 1.00 0.00 O ATOM 137 CB MET A 9 -20.663 0.678 -6.225 1.00 0.00 C ATOM 138 CG MET A 9 -20.614 0.331 -7.701 1.00 0.00 C ATOM 139 SD MET A 9 -21.451 -1.217 -8.076 1.00 0.00 S ATOM 140 CE MET A 9 -22.769 -0.636 -9.141 1.00 0.00 C ATOM 0 H MET A 9 -19.462 2.917 -6.472 1.00 0.00 H new ATOM 0 HA MET A 9 -22.252 2.099 -6.452 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.650 0.662 -5.823 1.00 0.00 H new ATOM 0 HB3 MET A 9 -21.228 -0.091 -5.698 1.00 0.00 H new ATOM 0 HG2 MET A 9 -21.073 1.136 -8.275 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.574 0.264 -8.020 1.00 0.00 H new ATOM 0 HE1 MET A 9 -23.379 -1.481 -9.459 1.00 0.00 H new ATOM 0 HE2 MET A 9 -23.390 0.075 -8.596 1.00 0.00 H new ATOM 0 HE3 MET A 9 -22.341 -0.148 -10.017 1.00 0.00 H new ATOM 150 N THR A 10 -22.239 1.229 -3.874 1.00 0.00 N ATOM 151 CA THR A 10 -22.697 1.282 -2.494 1.00 0.00 C ATOM 152 C THR A 10 -21.812 0.471 -1.546 1.00 0.00 C ATOM 153 O THR A 10 -22.328 -0.207 -0.656 1.00 0.00 O ATOM 154 CB THR A 10 -24.128 0.752 -2.385 1.00 0.00 C ATOM 155 OG1 THR A 10 -24.705 0.627 -3.692 1.00 0.00 O ATOM 156 CG2 THR A 10 -24.985 1.668 -1.526 1.00 0.00 C ATOM 0 H THR A 10 -22.496 0.370 -4.360 1.00 0.00 H new ATOM 0 HA THR A 10 -22.649 2.330 -2.198 1.00 0.00 H new ATOM 0 HB THR A 10 -24.093 -0.228 -1.910 1.00 0.00 H new ATOM 0 HG1 THR A 10 -24.326 -0.156 -4.143 1.00 0.00 H new ATOM 0 HG21 THR A 10 -25.997 1.268 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 10 -24.559 1.731 -0.525 1.00 0.00 H new ATOM 0 HG23 THR A 10 -25.014 2.662 -1.971 1.00 0.00 H new ATOM 164 N CYS A 11 -20.493 0.530 -1.748 1.00 0.00 N ATOM 165 CA CYS A 11 -19.530 -0.239 -0.938 1.00 0.00 C ATOM 166 C CYS A 11 -19.964 -1.698 -0.815 1.00 0.00 C ATOM 167 O CYS A 11 -20.185 -2.337 -1.837 1.00 0.00 O ATOM 168 CB CYS A 11 -19.273 0.413 0.431 1.00 0.00 C ATOM 169 SG CYS A 11 -20.732 0.986 1.332 1.00 0.00 S ATOM 0 H CYS A 11 -20.060 1.106 -2.470 1.00 0.00 H new ATOM 0 HA CYS A 11 -18.574 -0.227 -1.461 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -18.744 -0.305 1.058 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -18.605 1.262 0.286 1.00 0.00 H new ATOM 0 HG CYS A 11 -21.788 0.379 0.879 1.00 0.00 H new ATOM 175 N ASP A 12 -19.990 -2.229 0.411 1.00 0.00 N ATOM 176 CA ASP A 12 -20.436 -3.614 0.699 1.00 0.00 C ATOM 177 C ASP A 12 -21.409 -4.163 -0.354 1.00 0.00 C ATOM 178 O ASP A 12 -22.367 -3.485 -0.744 1.00 0.00 O ATOM 179 CB ASP A 12 -21.064 -3.678 2.103 1.00 0.00 C ATOM 180 CG ASP A 12 -22.316 -4.540 2.192 1.00 0.00 C ATOM 181 OD1 ASP A 12 -22.264 -5.732 1.828 1.00 0.00 O ATOM 182 OD2 ASP A 12 -23.354 -4.028 2.659 1.00 0.00 O ATOM 0 H ASP A 12 -19.702 -1.714 1.243 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.553 -4.251 0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.322 -4.063 2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -21.310 -2.666 2.424 1.00 0.00 H new ATOM 187 N SER A 13 -21.136 -5.401 -0.787 1.00 0.00 N ATOM 188 CA SER A 13 -21.854 -6.075 -1.880 1.00 0.00 C ATOM 189 C SER A 13 -21.290 -5.638 -3.232 1.00 0.00 C ATOM 190 O SER A 13 -20.837 -6.467 -4.022 1.00 0.00 O ATOM 191 CB SER A 13 -23.370 -5.839 -1.815 1.00 0.00 C ATOM 192 OG SER A 13 -23.889 -6.183 -0.536 1.00 0.00 O ATOM 0 H SER A 13 -20.396 -5.974 -0.381 1.00 0.00 H new ATOM 0 HA SER A 13 -21.698 -7.147 -1.762 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.587 -4.793 -2.029 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.866 -6.432 -2.583 1.00 0.00 H new ATOM 0 HG SER A 13 -23.219 -5.988 0.152 1.00 0.00 H new ATOM 198 N CYS A 14 -21.287 -4.335 -3.478 1.00 0.00 N ATOM 199 CA CYS A 14 -20.672 -3.782 -4.678 1.00 0.00 C ATOM 200 C CYS A 14 -19.165 -4.019 -4.645 1.00 0.00 C ATOM 201 O CYS A 14 -18.552 -4.377 -5.650 1.00 0.00 O ATOM 202 CB CYS A 14 -20.968 -2.283 -4.769 1.00 0.00 C ATOM 203 SG CYS A 14 -22.732 -1.886 -4.733 1.00 0.00 S ATOM 0 H CYS A 14 -21.705 -3.639 -2.861 1.00 0.00 H new ATOM 0 HA CYS A 14 -21.088 -4.278 -5.555 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.473 -1.773 -3.942 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.535 -1.892 -5.690 1.00 0.00 H new ATOM 0 HG CYS A 14 -23.114 -1.500 -5.914 1.00 0.00 H new ATOM 209 N ALA A 15 -18.583 -3.832 -3.465 1.00 0.00 N ATOM 210 CA ALA A 15 -17.162 -4.061 -3.258 1.00 0.00 C ATOM 211 C ALA A 15 -16.814 -5.538 -3.409 1.00 0.00 C ATOM 212 O ALA A 15 -15.687 -5.884 -3.748 1.00 0.00 O ATOM 213 CB ALA A 15 -16.747 -3.560 -1.883 1.00 0.00 C ATOM 0 H ALA A 15 -19.081 -3.519 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.614 -3.507 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.681 -3.736 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.952 -2.492 -1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.310 -4.092 -1.117 1.00 0.00 H new ATOM 219 N ALA A 16 -17.790 -6.405 -3.161 1.00 0.00 N ATOM 220 CA ALA A 16 -17.583 -7.843 -3.279 1.00 0.00 C ATOM 221 C ALA A 16 -17.354 -8.231 -4.736 1.00 0.00 C ATOM 222 O ALA A 16 -16.432 -8.995 -5.053 1.00 0.00 O ATOM 223 CB ALA A 16 -18.768 -8.600 -2.700 1.00 0.00 C ATOM 0 H ALA A 16 -18.732 -6.136 -2.877 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.694 -8.113 -2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.597 -9.672 -2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.884 -8.344 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.674 -8.327 -3.241 1.00 0.00 H new ATOM 229 N HIS A 17 -18.192 -7.690 -5.618 1.00 0.00 N ATOM 230 CA HIS A 17 -18.056 -7.919 -7.051 1.00 0.00 C ATOM 231 C HIS A 17 -16.703 -7.414 -7.535 1.00 0.00 C ATOM 232 O HIS A 17 -16.016 -8.086 -8.307 1.00 0.00 O ATOM 233 CB HIS A 17 -19.183 -7.218 -7.817 1.00 0.00 C ATOM 234 CG HIS A 17 -19.807 -8.065 -8.886 1.00 0.00 C ATOM 235 ND1 HIS A 17 -20.197 -9.371 -8.683 1.00 0.00 N ATOM 236 CD2 HIS A 17 -20.111 -7.784 -10.174 1.00 0.00 C ATOM 237 CE1 HIS A 17 -20.715 -9.854 -9.796 1.00 0.00 C ATOM 238 NE2 HIS A 17 -20.674 -8.912 -10.717 1.00 0.00 N ATOM 0 H HIS A 17 -18.975 -7.088 -5.362 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.123 -8.991 -7.238 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.955 -6.914 -7.110 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.790 -6.308 -8.271 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -19.942 -6.846 -10.681 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -21.106 -10.852 -9.930 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -21.006 -9.006 -11.677 1.00 0.00 H new ATOM 247 N VAL A 18 -16.325 -6.231 -7.060 1.00 0.00 N ATOM 248 CA VAL A 18 -15.037 -5.638 -7.392 1.00 0.00 C ATOM 249 C VAL A 18 -13.897 -6.523 -6.895 1.00 0.00 C ATOM 250 O VAL A 18 -12.943 -6.785 -7.623 1.00 0.00 O ATOM 251 CB VAL A 18 -14.894 -4.226 -6.782 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.497 -3.671 -7.015 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.945 -3.288 -7.356 1.00 0.00 C ATOM 0 H VAL A 18 -16.899 -5.661 -6.439 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.985 -5.555 -8.478 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.051 -4.304 -5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.423 -2.676 -6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.762 -4.328 -6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.304 -3.610 -8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.829 -2.298 -6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.821 -3.220 -8.437 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.939 -3.672 -7.128 1.00 0.00 H new ATOM 263 N LYS A 19 -14.017 -6.988 -5.656 1.00 0.00 N ATOM 264 CA LYS A 19 -13.012 -7.858 -5.056 1.00 0.00 C ATOM 265 C LYS A 19 -12.792 -9.103 -5.906 1.00 0.00 C ATOM 266 O LYS A 19 -11.654 -9.467 -6.212 1.00 0.00 O ATOM 267 CB LYS A 19 -13.438 -8.262 -3.642 1.00 0.00 C ATOM 268 CG LYS A 19 -12.392 -9.069 -2.893 1.00 0.00 C ATOM 269 CD LYS A 19 -13.018 -10.250 -2.170 1.00 0.00 C ATOM 270 CE LYS A 19 -12.034 -11.399 -2.019 1.00 0.00 C ATOM 271 NZ LYS A 19 -12.366 -12.538 -2.913 1.00 0.00 N ATOM 0 H LYS A 19 -14.805 -6.775 -5.045 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.074 -7.306 -5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.667 -7.362 -3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.358 -8.844 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.637 -9.427 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.882 -8.428 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.363 -9.934 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.895 -10.591 -2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.027 -11.045 -2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.031 -11.740 -0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.489 -12.997 -3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.950 -13.226 -2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.892 -12.189 -3.739 1.00 0.00 H new ATOM 285 N GLU A 20 -13.885 -9.747 -6.290 1.00 0.00 N ATOM 286 CA GLU A 20 -13.801 -10.949 -7.104 1.00 0.00 C ATOM 287 C GLU A 20 -13.239 -10.635 -8.485 1.00 0.00 C ATOM 288 O GLU A 20 -12.445 -11.402 -9.038 1.00 0.00 O ATOM 289 CB GLU A 20 -15.170 -11.616 -7.223 1.00 0.00 C ATOM 290 CG GLU A 20 -15.207 -13.014 -6.629 1.00 0.00 C ATOM 291 CD GLU A 20 -15.346 -13.005 -5.120 1.00 0.00 C ATOM 292 OE1 GLU A 20 -14.511 -12.378 -4.438 1.00 0.00 O ATOM 293 OE2 GLU A 20 -16.297 -13.626 -4.605 1.00 0.00 O ATOM 0 H GLU A 20 -14.834 -9.459 -6.052 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.120 -11.642 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.914 -10.996 -6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.452 -11.667 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.040 -13.567 -7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.295 -13.545 -6.903 1.00 0.00 H new ATOM 300 N ALA A 21 -13.636 -9.492 -9.030 1.00 0.00 N ATOM 301 CA ALA A 21 -13.162 -9.064 -10.338 1.00 0.00 C ATOM 302 C ALA A 21 -11.662 -8.821 -10.298 1.00 0.00 C ATOM 303 O ALA A 21 -10.950 -9.102 -11.260 1.00 0.00 O ATOM 304 CB ALA A 21 -13.894 -7.810 -10.791 1.00 0.00 C ATOM 0 H ALA A 21 -14.286 -8.844 -8.585 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.368 -9.856 -11.058 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.525 -7.507 -11.771 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.963 -8.015 -10.854 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.720 -7.008 -10.074 1.00 0.00 H new ATOM 310 N LEU A 22 -11.191 -8.308 -9.170 1.00 0.00 N ATOM 311 CA LEU A 22 -9.772 -8.077 -8.966 1.00 0.00 C ATOM 312 C LEU A 22 -9.022 -9.400 -8.929 1.00 0.00 C ATOM 313 O LEU A 22 -7.988 -9.559 -9.574 1.00 0.00 O ATOM 314 CB LEU A 22 -9.538 -7.308 -7.665 1.00 0.00 C ATOM 315 CG LEU A 22 -9.809 -5.805 -7.741 1.00 0.00 C ATOM 316 CD1 LEU A 22 -9.900 -5.210 -6.345 1.00 0.00 C ATOM 317 CD2 LEU A 22 -8.725 -5.110 -8.550 1.00 0.00 C ATOM 0 H LEU A 22 -11.777 -8.043 -8.379 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.397 -7.481 -9.798 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.172 -7.737 -6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.505 -7.460 -7.353 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.764 -5.650 -8.243 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.093 -4.140 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.712 -5.689 -5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.960 -5.374 -5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.933 -4.041 -8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.757 -5.272 -8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.707 -5.518 -9.560 1.00 0.00 H new ATOM 329 N GLU A 23 -9.564 -10.359 -8.192 1.00 0.00 N ATOM 330 CA GLU A 23 -8.931 -11.664 -8.061 1.00 0.00 C ATOM 331 C GLU A 23 -9.101 -12.487 -9.336 1.00 0.00 C ATOM 332 O GLU A 23 -8.447 -13.516 -9.516 1.00 0.00 O ATOM 333 CB GLU A 23 -9.494 -12.411 -6.853 1.00 0.00 C ATOM 334 CG GLU A 23 -8.681 -12.182 -5.589 1.00 0.00 C ATOM 335 CD GLU A 23 -9.354 -12.708 -4.336 1.00 0.00 C ATOM 336 OE1 GLU A 23 -10.367 -13.430 -4.466 1.00 0.00 O ATOM 337 OE2 GLU A 23 -8.874 -12.409 -3.219 1.00 0.00 O ATOM 0 H GLU A 23 -10.439 -10.259 -7.677 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.863 -11.510 -7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.522 -12.092 -6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.523 -13.478 -7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.709 -12.663 -5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.497 -11.114 -5.473 1.00 0.00 H new ATOM 344 N LYS A 24 -9.977 -12.029 -10.221 1.00 0.00 N ATOM 345 CA LYS A 24 -10.142 -12.649 -11.531 1.00 0.00 C ATOM 346 C LYS A 24 -8.996 -12.242 -12.450 1.00 0.00 C ATOM 347 O LYS A 24 -8.757 -12.865 -13.487 1.00 0.00 O ATOM 348 CB LYS A 24 -11.476 -12.245 -12.155 1.00 0.00 C ATOM 349 CG LYS A 24 -12.406 -13.416 -12.418 1.00 0.00 C ATOM 350 CD LYS A 24 -13.766 -13.193 -11.781 1.00 0.00 C ATOM 351 CE LYS A 24 -14.132 -14.329 -10.844 1.00 0.00 C ATOM 352 NZ LYS A 24 -15.139 -15.237 -11.449 1.00 0.00 N ATOM 0 H LYS A 24 -10.586 -11.228 -10.055 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.132 -13.731 -11.403 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.976 -11.536 -11.495 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.285 -11.726 -13.094 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.524 -13.556 -13.493 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.963 -14.331 -12.024 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.762 -12.252 -11.230 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.524 -13.103 -12.559 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.236 -14.896 -10.592 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.523 -13.921 -9.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.364 -16.001 -10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.003 -14.701 -11.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.756 -15.646 -12.325 1.00 0.00 H new ATOM 366 N VAL A 25 -8.304 -11.183 -12.062 1.00 0.00 N ATOM 367 CA VAL A 25 -7.138 -10.708 -12.782 1.00 0.00 C ATOM 368 C VAL A 25 -5.903 -11.460 -12.314 1.00 0.00 C ATOM 369 O VAL A 25 -5.597 -11.465 -11.118 1.00 0.00 O ATOM 370 CB VAL A 25 -6.918 -9.203 -12.543 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.643 -8.719 -13.220 1.00 0.00 C ATOM 372 CG2 VAL A 25 -8.117 -8.399 -13.022 1.00 0.00 C ATOM 0 H VAL A 25 -8.537 -10.629 -11.238 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.306 -10.880 -13.845 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.808 -9.049 -11.470 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.514 -7.653 -13.034 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.788 -9.263 -12.818 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.712 -8.894 -14.294 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.939 -7.339 -12.843 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.265 -8.567 -14.089 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.007 -8.714 -12.478 1.00 0.00 H new ATOM 382 N PRO A 26 -5.181 -12.118 -13.229 1.00 0.00 N ATOM 383 CA PRO A 26 -3.944 -12.809 -12.886 1.00 0.00 C ATOM 384 C PRO A 26 -2.837 -11.825 -12.527 1.00 0.00 C ATOM 385 O PRO A 26 -2.123 -11.317 -13.392 1.00 0.00 O ATOM 386 CB PRO A 26 -3.583 -13.592 -14.158 1.00 0.00 C ATOM 387 CG PRO A 26 -4.791 -13.517 -15.036 1.00 0.00 C ATOM 388 CD PRO A 26 -5.511 -12.256 -14.652 1.00 0.00 C ATOM 0 HA PRO A 26 -4.063 -13.452 -12.014 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.713 -13.158 -14.651 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.333 -14.627 -13.923 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.507 -13.498 -16.088 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.430 -14.389 -14.894 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.167 -11.400 -15.233 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.586 -12.338 -14.812 1.00 0.00 H new ATOM 396 N GLY A 27 -2.729 -11.545 -11.242 1.00 0.00 N ATOM 397 CA GLY A 27 -1.699 -10.660 -10.743 1.00 0.00 C ATOM 398 C GLY A 27 -2.001 -10.230 -9.328 1.00 0.00 C ATOM 399 O GLY A 27 -1.122 -9.775 -8.595 1.00 0.00 O ATOM 0 H GLY A 27 -3.347 -11.921 -10.523 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.733 -11.164 -10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.624 -9.783 -11.386 1.00 0.00 H new ATOM 403 N VAL A 28 -3.262 -10.377 -8.952 1.00 0.00 N ATOM 404 CA VAL A 28 -3.702 -10.099 -7.599 1.00 0.00 C ATOM 405 C VAL A 28 -3.542 -11.338 -6.728 1.00 0.00 C ATOM 406 O VAL A 28 -4.213 -12.350 -6.936 1.00 0.00 O ATOM 407 CB VAL A 28 -5.175 -9.644 -7.584 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.697 -9.521 -6.160 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.332 -8.328 -8.326 1.00 0.00 C ATOM 0 H VAL A 28 -4.005 -10.692 -9.576 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.083 -9.295 -7.201 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.768 -10.404 -8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.738 -9.199 -6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.626 -10.488 -5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.101 -8.788 -5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.378 -8.021 -8.306 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.721 -7.564 -7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.010 -8.453 -9.360 1.00 0.00 H new ATOM 419 N GLN A 29 -2.644 -11.263 -5.763 1.00 0.00 N ATOM 420 CA GLN A 29 -2.405 -12.370 -4.854 1.00 0.00 C ATOM 421 C GLN A 29 -3.549 -12.476 -3.851 1.00 0.00 C ATOM 422 O GLN A 29 -4.057 -13.564 -3.578 1.00 0.00 O ATOM 423 CB GLN A 29 -1.068 -12.175 -4.137 1.00 0.00 C ATOM 424 CG GLN A 29 -0.707 -13.303 -3.190 1.00 0.00 C ATOM 425 CD GLN A 29 -0.634 -12.839 -1.753 1.00 0.00 C ATOM 426 OE1 GLN A 29 -1.233 -13.444 -0.869 1.00 0.00 O ATOM 427 NE2 GLN A 29 0.093 -11.759 -1.508 1.00 0.00 N ATOM 0 H GLN A 29 -2.065 -10.442 -5.588 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.359 -13.300 -5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.279 -12.073 -4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.100 -11.240 -3.577 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.447 -14.099 -3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.253 -13.728 -3.482 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.576 -11.285 -2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.170 -11.401 -0.556 1.00 0.00 H new ATOM 436 N SER A 30 -3.960 -11.336 -3.315 1.00 0.00 N ATOM 437 CA SER A 30 -5.078 -11.287 -2.383 1.00 0.00 C ATOM 438 C SER A 30 -5.725 -9.907 -2.402 1.00 0.00 C ATOM 439 O SER A 30 -5.049 -8.896 -2.232 1.00 0.00 O ATOM 440 CB SER A 30 -4.602 -11.629 -0.969 1.00 0.00 C ATOM 441 OG SER A 30 -4.374 -13.023 -0.834 1.00 0.00 O ATOM 0 H SER A 30 -3.535 -10.430 -3.510 1.00 0.00 H new ATOM 0 HA SER A 30 -5.821 -12.023 -2.691 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.685 -11.083 -0.748 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.348 -11.306 -0.242 1.00 0.00 H new ATOM 0 HG SER A 30 -4.347 -13.437 -1.722 1.00 0.00 H new ATOM 447 N ALA A 31 -7.029 -9.869 -2.633 1.00 0.00 N ATOM 448 CA ALA A 31 -7.759 -8.612 -2.660 1.00 0.00 C ATOM 449 C ALA A 31 -8.597 -8.449 -1.401 1.00 0.00 C ATOM 450 O ALA A 31 -9.500 -9.245 -1.140 1.00 0.00 O ATOM 451 CB ALA A 31 -8.641 -8.538 -3.898 1.00 0.00 C ATOM 0 H ALA A 31 -7.603 -10.695 -2.804 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.036 -7.797 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.181 -7.591 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.021 -8.607 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.354 -9.362 -3.887 1.00 0.00 H new ATOM 457 N LEU A 32 -8.277 -7.434 -0.611 1.00 0.00 N ATOM 458 CA LEU A 32 -9.034 -7.133 0.595 1.00 0.00 C ATOM 459 C LEU A 32 -9.685 -5.759 0.475 1.00 0.00 C ATOM 460 O LEU A 32 -9.084 -4.743 0.820 1.00 0.00 O ATOM 461 CB LEU A 32 -8.124 -7.176 1.826 1.00 0.00 C ATOM 462 CG LEU A 32 -7.883 -8.569 2.411 1.00 0.00 C ATOM 463 CD1 LEU A 32 -6.571 -8.607 3.179 1.00 0.00 C ATOM 464 CD2 LEU A 32 -9.039 -8.973 3.314 1.00 0.00 C ATOM 0 H LEU A 32 -7.495 -6.803 -0.785 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.812 -7.887 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.161 -6.739 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.558 -6.544 2.601 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.820 -9.281 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.417 -9.606 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.749 -8.359 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.605 -7.883 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.852 -9.966 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.131 -8.257 4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.964 -8.986 2.737 1.00 0.00 H new ATOM 476 N VAL A 33 -10.908 -5.730 -0.027 1.00 0.00 N ATOM 477 CA VAL A 33 -11.627 -4.477 -0.194 1.00 0.00 C ATOM 478 C VAL A 33 -12.376 -4.123 1.083 1.00 0.00 C ATOM 479 O VAL A 33 -13.163 -4.921 1.599 1.00 0.00 O ATOM 480 CB VAL A 33 -12.621 -4.535 -1.372 1.00 0.00 C ATOM 481 CG1 VAL A 33 -13.173 -3.150 -1.675 1.00 0.00 C ATOM 482 CG2 VAL A 33 -11.962 -5.130 -2.608 1.00 0.00 C ATOM 0 H VAL A 33 -11.424 -6.558 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.886 -3.708 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.450 -5.181 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.872 -3.211 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.689 -2.764 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.353 -2.481 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.682 -5.161 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.110 -4.515 -2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.621 -6.141 -2.387 1.00 0.00 H new ATOM 492 N SER A 34 -12.117 -2.930 1.588 1.00 0.00 N ATOM 493 CA SER A 34 -12.727 -2.458 2.815 1.00 0.00 C ATOM 494 C SER A 34 -13.925 -1.560 2.510 1.00 0.00 C ATOM 495 O SER A 34 -13.767 -0.403 2.111 1.00 0.00 O ATOM 496 CB SER A 34 -11.687 -1.705 3.646 1.00 0.00 C ATOM 497 OG SER A 34 -10.470 -2.435 3.718 1.00 0.00 O ATOM 0 H SER A 34 -11.477 -2.262 1.158 1.00 0.00 H new ATOM 0 HA SER A 34 -13.087 -3.314 3.386 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.503 -0.726 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.073 -1.534 4.651 1.00 0.00 H new ATOM 0 HG SER A 34 -9.819 -1.934 4.253 1.00 0.00 H new ATOM 503 N TYR A 35 -15.120 -2.110 2.698 1.00 0.00 N ATOM 504 CA TYR A 35 -16.358 -1.389 2.432 1.00 0.00 C ATOM 505 C TYR A 35 -16.504 -0.123 3.302 1.00 0.00 C ATOM 506 O TYR A 35 -16.871 0.925 2.774 1.00 0.00 O ATOM 507 CB TYR A 35 -17.568 -2.341 2.561 1.00 0.00 C ATOM 508 CG TYR A 35 -18.544 -2.066 3.697 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.411 -0.979 3.645 1.00 0.00 C ATOM 510 CD2 TYR A 35 -18.582 -2.875 4.830 1.00 0.00 C ATOM 511 CE1 TYR A 35 -20.279 -0.707 4.687 1.00 0.00 C ATOM 512 CE2 TYR A 35 -19.449 -2.611 5.871 1.00 0.00 C ATOM 513 CZ TYR A 35 -20.360 -1.593 5.757 1.00 0.00 C ATOM 514 OH TYR A 35 -21.162 -1.265 6.836 1.00 0.00 O ATOM 0 H TYR A 35 -15.257 -3.062 3.037 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.323 -1.029 1.404 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.123 -2.313 1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.190 -3.357 2.677 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.406 -0.337 2.777 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.920 -3.726 4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -20.888 0.185 4.670 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.410 -3.205 6.772 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.119 -1.980 7.505 1.00 0.00 H new ATOM 524 N PRO A 36 -16.214 -0.168 4.633 1.00 0.00 N ATOM 525 CA PRO A 36 -16.378 1.007 5.502 1.00 0.00 C ATOM 526 C PRO A 36 -15.431 2.147 5.136 1.00 0.00 C ATOM 527 O PRO A 36 -15.687 3.308 5.459 1.00 0.00 O ATOM 528 CB PRO A 36 -16.050 0.489 6.908 1.00 0.00 C ATOM 529 CG PRO A 36 -16.119 -0.995 6.809 1.00 0.00 C ATOM 530 CD PRO A 36 -15.726 -1.331 5.401 1.00 0.00 C ATOM 0 HA PRO A 36 -17.382 1.421 5.411 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.060 0.816 7.226 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.762 0.867 7.642 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.446 -1.466 7.525 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.124 -1.355 7.031 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.648 -1.456 5.302 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.187 -2.259 5.064 1.00 0.00 H new ATOM 538 N LYS A 37 -14.340 1.816 4.464 1.00 0.00 N ATOM 539 CA LYS A 37 -13.330 2.811 4.118 1.00 0.00 C ATOM 540 C LYS A 37 -13.402 3.177 2.640 1.00 0.00 C ATOM 541 O LYS A 37 -12.751 4.124 2.193 1.00 0.00 O ATOM 542 CB LYS A 37 -11.935 2.286 4.466 1.00 0.00 C ATOM 543 CG LYS A 37 -11.355 2.895 5.732 1.00 0.00 C ATOM 544 CD LYS A 37 -11.906 2.216 6.978 1.00 0.00 C ATOM 545 CE LYS A 37 -12.605 3.212 7.893 1.00 0.00 C ATOM 546 NZ LYS A 37 -12.494 2.817 9.321 1.00 0.00 N ATOM 0 H LYS A 37 -14.129 0.870 4.147 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.528 3.712 4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.982 1.203 4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.261 2.489 3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.269 2.804 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.586 3.960 5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.607 1.433 6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.093 1.731 7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.170 4.202 7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.657 3.285 7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.982 3.518 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.932 1.884 9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.491 2.772 9.592 1.00 0.00 H new ATOM 560 N GLY A 38 -14.187 2.416 1.885 1.00 0.00 N ATOM 561 CA GLY A 38 -14.330 2.669 0.460 1.00 0.00 C ATOM 562 C GLY A 38 -13.028 2.473 -0.295 1.00 0.00 C ATOM 563 O GLY A 38 -12.844 3.013 -1.388 1.00 0.00 O ATOM 0 H GLY A 38 -14.729 1.626 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.089 2.003 0.050 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.685 3.688 0.308 1.00 0.00 H new ATOM 567 N THR A 39 -12.127 1.697 0.286 1.00 0.00 N ATOM 568 CA THR A 39 -10.825 1.469 -0.307 1.00 0.00 C ATOM 569 C THR A 39 -10.579 -0.018 -0.510 1.00 0.00 C ATOM 570 O THR A 39 -11.108 -0.851 0.221 1.00 0.00 O ATOM 571 CB THR A 39 -9.701 2.048 0.571 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.242 2.488 1.821 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.008 3.211 -0.123 1.00 0.00 C ATOM 0 H THR A 39 -12.277 1.214 1.172 1.00 0.00 H new ATOM 0 HA THR A 39 -10.817 1.976 -1.272 1.00 0.00 H new ATOM 0 HB THR A 39 -8.965 1.263 0.744 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.523 2.854 2.378 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.219 3.600 0.520 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.575 2.868 -1.062 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.734 3.999 -0.324 1.00 0.00 H new ATOM 581 N ALA A 40 -9.780 -0.339 -1.502 1.00 0.00 N ATOM 582 CA ALA A 40 -9.452 -1.714 -1.809 1.00 0.00 C ATOM 583 C ALA A 40 -7.974 -1.965 -1.569 1.00 0.00 C ATOM 584 O ALA A 40 -7.117 -1.355 -2.211 1.00 0.00 O ATOM 585 CB ALA A 40 -9.827 -2.034 -3.247 1.00 0.00 C ATOM 0 H ALA A 40 -9.339 0.344 -2.118 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.023 -2.370 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.575 -3.072 -3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.897 -1.883 -3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.277 -1.377 -3.921 1.00 0.00 H new ATOM 591 N GLN A 41 -7.682 -2.845 -0.627 1.00 0.00 N ATOM 592 CA GLN A 41 -6.311 -3.195 -0.301 1.00 0.00 C ATOM 593 C GLN A 41 -5.931 -4.501 -0.984 1.00 0.00 C ATOM 594 O GLN A 41 -6.132 -5.582 -0.430 1.00 0.00 O ATOM 595 CB GLN A 41 -6.146 -3.335 1.216 1.00 0.00 C ATOM 596 CG GLN A 41 -5.567 -2.101 1.892 1.00 0.00 C ATOM 597 CD GLN A 41 -6.530 -0.928 1.902 1.00 0.00 C ATOM 598 OE1 GLN A 41 -6.171 0.183 1.511 1.00 0.00 O ATOM 599 NE2 GLN A 41 -7.753 -1.161 2.357 1.00 0.00 N ATOM 0 H GLN A 41 -8.383 -3.334 -0.070 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.654 -2.401 -0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.117 -3.557 1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.499 -4.188 1.424 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.293 -2.349 2.918 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.651 -1.808 1.380 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.010 -2.096 2.672 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.437 -0.405 2.392 1.00 0.00 H new ATOM 608 N LEU A 42 -5.407 -4.413 -2.195 1.00 0.00 N ATOM 609 CA LEU A 42 -5.014 -5.607 -2.919 1.00 0.00 C ATOM 610 C LEU A 42 -3.508 -5.814 -2.850 1.00 0.00 C ATOM 611 O LEU A 42 -2.726 -4.876 -2.988 1.00 0.00 O ATOM 612 CB LEU A 42 -5.493 -5.612 -4.394 1.00 0.00 C ATOM 613 CG LEU A 42 -5.654 -4.261 -5.132 1.00 0.00 C ATOM 614 CD1 LEU A 42 -6.897 -3.519 -4.669 1.00 0.00 C ATOM 615 CD2 LEU A 42 -4.419 -3.384 -4.993 1.00 0.00 C ATOM 0 H LEU A 42 -5.246 -3.537 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.513 -6.440 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.791 -6.219 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.456 -6.122 -4.426 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.773 -4.494 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.979 -2.575 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.779 -4.128 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.826 -3.321 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.577 -2.447 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.238 -3.176 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.557 -3.901 -5.414 1.00 0.00 H new ATOM 627 N ALA A 43 -3.114 -7.042 -2.588 1.00 0.00 N ATOM 628 CA ALA A 43 -1.721 -7.422 -2.645 1.00 0.00 C ATOM 629 C ALA A 43 -1.423 -7.975 -4.025 1.00 0.00 C ATOM 630 O ALA A 43 -1.808 -9.101 -4.345 1.00 0.00 O ATOM 631 CB ALA A 43 -1.404 -8.448 -1.568 1.00 0.00 C ATOM 0 H ALA A 43 -3.747 -7.800 -2.331 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.093 -6.550 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.351 -8.723 -1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.615 -8.023 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.019 -9.335 -1.718 1.00 0.00 H new ATOM 637 N ILE A 44 -0.778 -7.171 -4.851 1.00 0.00 N ATOM 638 CA ILE A 44 -0.509 -7.555 -6.228 1.00 0.00 C ATOM 639 C ILE A 44 0.941 -7.978 -6.403 1.00 0.00 C ATOM 640 O ILE A 44 1.785 -7.716 -5.542 1.00 0.00 O ATOM 641 CB ILE A 44 -0.825 -6.411 -7.218 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.465 -5.048 -6.616 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.292 -6.444 -7.616 1.00 0.00 C ATOM 644 CD1 ILE A 44 -0.139 -3.993 -7.655 1.00 0.00 C ATOM 0 H ILE A 44 -0.430 -6.247 -4.594 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.164 -8.398 -6.450 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.217 -6.558 -8.111 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.297 -4.699 -6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.391 -5.168 -5.951 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.498 -5.632 -8.313 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.518 -7.398 -8.092 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.913 -6.326 -6.728 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.106 -3.055 -7.157 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.713 -4.320 -8.251 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.001 -3.844 -8.305 1.00 0.00 H new ATOM 656 N VAL A 45 1.213 -8.657 -7.505 1.00 0.00 N ATOM 657 CA VAL A 45 2.565 -9.063 -7.846 1.00 0.00 C ATOM 658 C VAL A 45 3.268 -7.938 -8.596 1.00 0.00 C ATOM 659 O VAL A 45 2.729 -7.408 -9.572 1.00 0.00 O ATOM 660 CB VAL A 45 2.566 -10.342 -8.713 1.00 0.00 C ATOM 661 CG1 VAL A 45 3.986 -10.816 -8.990 1.00 0.00 C ATOM 662 CG2 VAL A 45 1.761 -11.447 -8.044 1.00 0.00 C ATOM 0 H VAL A 45 0.507 -8.941 -8.184 1.00 0.00 H new ATOM 0 HA VAL A 45 3.096 -9.278 -6.919 1.00 0.00 H new ATOM 0 HB VAL A 45 2.097 -10.098 -9.666 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.956 -11.717 -9.602 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.533 -10.036 -9.520 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.487 -11.034 -8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.775 -12.338 -8.671 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.199 -11.680 -7.073 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.732 -11.116 -7.907 1.00 0.00 H new ATOM 672 N PRO A 46 4.464 -7.541 -8.133 1.00 0.00 N ATOM 673 CA PRO A 46 5.267 -6.511 -8.798 1.00 0.00 C ATOM 674 C PRO A 46 5.502 -6.842 -10.267 1.00 0.00 C ATOM 675 O PRO A 46 6.131 -7.849 -10.601 1.00 0.00 O ATOM 676 CB PRO A 46 6.583 -6.524 -8.022 1.00 0.00 C ATOM 677 CG PRO A 46 6.222 -7.058 -6.680 1.00 0.00 C ATOM 678 CD PRO A 46 5.120 -8.052 -6.917 1.00 0.00 C ATOM 0 HA PRO A 46 4.777 -5.538 -8.796 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.326 -7.153 -8.512 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.010 -5.524 -7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.080 -7.532 -6.204 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.891 -6.258 -6.017 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.510 -9.059 -7.063 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.429 -8.096 -6.075 1.00 0.00 H new ATOM 686 N GLY A 47 4.983 -5.994 -11.134 1.00 0.00 N ATOM 687 CA GLY A 47 5.061 -6.239 -12.555 1.00 0.00 C ATOM 688 C GLY A 47 3.751 -5.929 -13.236 1.00 0.00 C ATOM 689 O GLY A 47 3.726 -5.372 -14.335 1.00 0.00 O ATOM 0 H GLY A 47 4.504 -5.131 -10.876 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.853 -5.628 -12.989 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.328 -7.281 -12.733 1.00 0.00 H new ATOM 693 N THR A 48 2.661 -6.289 -12.578 1.00 0.00 N ATOM 694 CA THR A 48 1.331 -5.987 -13.078 1.00 0.00 C ATOM 695 C THR A 48 1.014 -4.512 -12.887 1.00 0.00 C ATOM 696 O THR A 48 1.317 -3.934 -11.839 1.00 0.00 O ATOM 697 CB THR A 48 0.264 -6.840 -12.362 1.00 0.00 C ATOM 698 OG1 THR A 48 0.896 -7.865 -11.576 1.00 0.00 O ATOM 699 CG2 THR A 48 -0.684 -7.479 -13.365 1.00 0.00 C ATOM 0 H THR A 48 2.672 -6.793 -11.692 1.00 0.00 H new ATOM 0 HA THR A 48 1.314 -6.225 -14.142 1.00 0.00 H new ATOM 0 HB THR A 48 -0.311 -6.184 -11.709 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.211 -8.400 -11.124 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.427 -8.075 -12.835 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.186 -6.700 -13.939 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.119 -8.121 -14.042 1.00 0.00 H new ATOM 707 N SER A 49 0.418 -3.902 -13.901 1.00 0.00 N ATOM 708 CA SER A 49 0.092 -2.491 -13.849 1.00 0.00 C ATOM 709 C SER A 49 -1.107 -2.249 -12.935 1.00 0.00 C ATOM 710 O SER A 49 -2.193 -2.774 -13.172 1.00 0.00 O ATOM 711 CB SER A 49 -0.197 -1.970 -15.258 1.00 0.00 C ATOM 712 OG SER A 49 -0.028 -2.998 -16.223 1.00 0.00 O ATOM 0 H SER A 49 0.151 -4.366 -14.769 1.00 0.00 H new ATOM 0 HA SER A 49 0.946 -1.950 -13.441 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.216 -1.585 -15.306 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.469 -1.138 -15.486 1.00 0.00 H new ATOM 0 HG SER A 49 -0.220 -2.643 -17.116 1.00 0.00 H new ATOM 718 N PRO A 50 -0.927 -1.452 -11.869 1.00 0.00 N ATOM 719 CA PRO A 50 -1.992 -1.176 -10.901 1.00 0.00 C ATOM 720 C PRO A 50 -3.112 -0.340 -11.498 1.00 0.00 C ATOM 721 O PRO A 50 -4.242 -0.365 -11.016 1.00 0.00 O ATOM 722 CB PRO A 50 -1.286 -0.408 -9.774 1.00 0.00 C ATOM 723 CG PRO A 50 0.177 -0.590 -10.023 1.00 0.00 C ATOM 724 CD PRO A 50 0.326 -0.777 -11.504 1.00 0.00 C ATOM 0 HA PRO A 50 -2.471 -2.094 -10.561 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.558 0.647 -9.788 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.569 -0.798 -8.796 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.742 0.277 -9.681 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.560 -1.454 -9.480 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.440 0.175 -12.023 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.199 -1.381 -11.751 1.00 0.00 H new ATOM 732 N ASP A 51 -2.803 0.368 -12.572 1.00 0.00 N ATOM 733 CA ASP A 51 -3.791 1.204 -13.235 1.00 0.00 C ATOM 734 C ASP A 51 -4.730 0.336 -14.047 1.00 0.00 C ATOM 735 O ASP A 51 -5.799 0.777 -14.469 1.00 0.00 O ATOM 736 CB ASP A 51 -3.120 2.237 -14.139 1.00 0.00 C ATOM 737 CG ASP A 51 -3.878 3.549 -14.177 1.00 0.00 C ATOM 738 OD1 ASP A 51 -3.847 4.293 -13.171 1.00 0.00 O ATOM 739 OD2 ASP A 51 -4.522 3.834 -15.208 1.00 0.00 O ATOM 0 H ASP A 51 -1.878 0.381 -13.003 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.357 1.739 -12.473 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.104 2.417 -13.788 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.042 1.836 -15.149 1.00 0.00 H new ATOM 744 N ALA A 52 -4.330 -0.915 -14.245 1.00 0.00 N ATOM 745 CA ALA A 52 -5.141 -1.850 -14.997 1.00 0.00 C ATOM 746 C ALA A 52 -6.309 -2.315 -14.144 1.00 0.00 C ATOM 747 O ALA A 52 -7.378 -2.643 -14.657 1.00 0.00 O ATOM 748 CB ALA A 52 -4.310 -3.032 -15.465 1.00 0.00 C ATOM 0 H ALA A 52 -3.452 -1.299 -13.895 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.529 -1.347 -15.883 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.941 -3.720 -16.027 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.501 -2.678 -16.103 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.891 -3.547 -14.601 1.00 0.00 H new ATOM 754 N LEU A 53 -6.098 -2.324 -12.832 1.00 0.00 N ATOM 755 CA LEU A 53 -7.149 -2.673 -11.889 1.00 0.00 C ATOM 756 C LEU A 53 -8.165 -1.545 -11.826 1.00 0.00 C ATOM 757 O LEU A 53 -9.376 -1.775 -11.865 1.00 0.00 O ATOM 758 CB LEU A 53 -6.560 -2.925 -10.498 1.00 0.00 C ATOM 759 CG LEU A 53 -5.237 -3.698 -10.476 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.530 -3.509 -9.145 1.00 0.00 C ATOM 761 CD2 LEU A 53 -5.476 -5.176 -10.748 1.00 0.00 C ATOM 0 H LEU A 53 -5.204 -2.092 -12.398 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.639 -3.587 -12.226 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.408 -1.964 -10.006 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.292 -3.474 -9.906 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.597 -3.303 -11.264 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.593 -4.065 -9.149 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.323 -2.450 -8.990 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.166 -3.876 -8.340 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.525 -5.708 -10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.136 -5.585 -9.983 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.938 -5.296 -11.728 1.00 0.00 H new ATOM 773 N THR A 54 -7.655 -0.323 -11.746 1.00 0.00 N ATOM 774 CA THR A 54 -8.484 0.866 -11.769 1.00 0.00 C ATOM 775 C THR A 54 -9.337 0.902 -13.031 1.00 0.00 C ATOM 776 O THR A 54 -10.553 1.089 -12.968 1.00 0.00 O ATOM 777 CB THR A 54 -7.607 2.130 -11.706 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.269 1.765 -11.340 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.157 3.129 -10.702 1.00 0.00 C ATOM 0 H THR A 54 -6.656 -0.133 -11.664 1.00 0.00 H new ATOM 0 HA THR A 54 -9.140 0.839 -10.899 1.00 0.00 H new ATOM 0 HB THR A 54 -7.608 2.600 -12.690 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.764 2.570 -11.100 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.517 4.011 -10.679 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.166 3.420 -10.994 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.182 2.673 -9.712 1.00 0.00 H new ATOM 787 N ALA A 55 -8.693 0.698 -14.174 1.00 0.00 N ATOM 788 CA ALA A 55 -9.390 0.673 -15.451 1.00 0.00 C ATOM 789 C ALA A 55 -10.341 -0.513 -15.536 1.00 0.00 C ATOM 790 O ALA A 55 -11.379 -0.437 -16.186 1.00 0.00 O ATOM 791 CB ALA A 55 -8.397 0.639 -16.603 1.00 0.00 C ATOM 0 H ALA A 55 -7.686 0.547 -14.241 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.981 1.586 -15.526 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.938 0.621 -17.549 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.764 1.526 -16.564 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.777 -0.254 -16.522 1.00 0.00 H new ATOM 797 N ALA A 56 -9.984 -1.613 -14.883 1.00 0.00 N ATOM 798 CA ALA A 56 -10.858 -2.780 -14.839 1.00 0.00 C ATOM 799 C ALA A 56 -12.154 -2.453 -14.115 1.00 0.00 C ATOM 800 O ALA A 56 -13.238 -2.717 -14.628 1.00 0.00 O ATOM 801 CB ALA A 56 -10.169 -3.961 -14.171 1.00 0.00 C ATOM 0 H ALA A 56 -9.103 -1.722 -14.381 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.090 -3.058 -15.867 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.846 -4.815 -14.154 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.270 -4.222 -14.730 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.896 -3.693 -13.150 1.00 0.00 H new ATOM 807 N VAL A 57 -12.041 -1.856 -12.933 1.00 0.00 N ATOM 808 CA VAL A 57 -13.219 -1.490 -12.158 1.00 0.00 C ATOM 809 C VAL A 57 -14.002 -0.380 -12.857 1.00 0.00 C ATOM 810 O VAL A 57 -15.233 -0.422 -12.927 1.00 0.00 O ATOM 811 CB VAL A 57 -12.844 -1.046 -10.730 1.00 0.00 C ATOM 812 CG1 VAL A 57 -14.089 -0.763 -9.900 1.00 0.00 C ATOM 813 CG2 VAL A 57 -11.980 -2.098 -10.050 1.00 0.00 C ATOM 0 H VAL A 57 -11.152 -1.617 -12.494 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.847 -2.378 -12.084 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.270 -0.122 -10.806 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.795 -0.452 -8.898 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.668 0.031 -10.371 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.697 -1.666 -9.836 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.726 -1.765 -9.043 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.528 -3.038 -9.994 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.066 -2.245 -10.625 1.00 0.00 H new ATOM 823 N ALA A 58 -13.285 0.604 -13.394 1.00 0.00 N ATOM 824 CA ALA A 58 -13.914 1.705 -14.111 1.00 0.00 C ATOM 825 C ALA A 58 -14.595 1.219 -15.388 1.00 0.00 C ATOM 826 O ALA A 58 -15.627 1.752 -15.797 1.00 0.00 O ATOM 827 CB ALA A 58 -12.889 2.781 -14.430 1.00 0.00 C ATOM 0 H ALA A 58 -12.268 0.660 -13.345 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.682 2.131 -13.466 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.373 3.597 -14.966 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.459 3.160 -13.503 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.099 2.358 -15.050 1.00 0.00 H new ATOM 833 N GLY A 59 -14.020 0.198 -16.001 1.00 0.00 N ATOM 834 CA GLY A 59 -14.576 -0.350 -17.220 1.00 0.00 C ATOM 835 C GLY A 59 -15.623 -1.411 -16.950 1.00 0.00 C ATOM 836 O GLY A 59 -16.108 -2.067 -17.876 1.00 0.00 O ATOM 0 H GLY A 59 -13.172 -0.265 -15.674 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.020 0.454 -17.807 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.774 -0.779 -17.821 1.00 0.00 H new ATOM 840 N LEU A 60 -15.963 -1.592 -15.681 1.00 0.00 N ATOM 841 CA LEU A 60 -16.982 -2.553 -15.287 1.00 0.00 C ATOM 842 C LEU A 60 -18.267 -1.843 -14.892 1.00 0.00 C ATOM 843 O LEU A 60 -19.154 -2.429 -14.271 1.00 0.00 O ATOM 844 CB LEU A 60 -16.476 -3.414 -14.133 1.00 0.00 C ATOM 845 CG LEU A 60 -16.058 -4.832 -14.519 1.00 0.00 C ATOM 846 CD1 LEU A 60 -15.029 -5.368 -13.539 1.00 0.00 C ATOM 847 CD2 LEU A 60 -17.267 -5.752 -14.575 1.00 0.00 C ATOM 0 H LEU A 60 -15.544 -1.082 -14.903 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.196 -3.198 -16.140 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.624 -2.913 -13.672 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.258 -3.475 -13.376 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.607 -4.797 -15.511 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.742 -6.379 -13.829 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.149 -4.725 -13.547 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.456 -5.385 -12.536 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.947 -6.757 -14.852 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.748 -5.781 -13.597 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.974 -5.379 -15.316 1.00 0.00 H new ATOM 859 N GLY A 61 -18.357 -0.574 -15.252 1.00 0.00 N ATOM 860 CA GLY A 61 -19.552 0.198 -14.970 1.00 0.00 C ATOM 861 C GLY A 61 -19.437 1.009 -13.695 1.00 0.00 C ATOM 862 O GLY A 61 -20.274 1.871 -13.421 1.00 0.00 O ATOM 0 H GLY A 61 -17.621 -0.060 -15.737 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.752 0.869 -15.806 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.405 -0.476 -14.891 1.00 0.00 H new ATOM 866 N TYR A 62 -18.402 0.735 -12.914 1.00 0.00 N ATOM 867 CA TYR A 62 -18.181 1.444 -11.663 1.00 0.00 C ATOM 868 C TYR A 62 -17.119 2.516 -11.863 1.00 0.00 C ATOM 869 O TYR A 62 -16.614 2.692 -12.970 1.00 0.00 O ATOM 870 CB TYR A 62 -17.741 0.480 -10.552 1.00 0.00 C ATOM 871 CG TYR A 62 -18.199 -0.957 -10.730 1.00 0.00 C ATOM 872 CD1 TYR A 62 -19.542 -1.271 -10.899 1.00 0.00 C ATOM 873 CD2 TYR A 62 -17.281 -2.002 -10.713 1.00 0.00 C ATOM 874 CE1 TYR A 62 -19.956 -2.581 -11.050 1.00 0.00 C ATOM 875 CE2 TYR A 62 -17.689 -3.314 -10.862 1.00 0.00 C ATOM 876 CZ TYR A 62 -19.025 -3.599 -11.031 1.00 0.00 C ATOM 877 OH TYR A 62 -19.431 -4.906 -11.178 1.00 0.00 O ATOM 0 H TYR A 62 -17.701 0.025 -13.126 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.120 1.908 -11.361 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.653 0.494 -10.490 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -18.119 0.851 -9.599 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.275 -0.478 -10.913 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.231 -1.784 -10.581 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.004 -2.807 -11.182 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.962 -4.113 -10.846 1.00 0.00 H new ATOM 0 HH TYR A 62 -18.655 -5.469 -11.379 1.00 0.00 H new ATOM 887 N LYS A 63 -16.778 3.232 -10.800 1.00 0.00 N ATOM 888 CA LYS A 63 -15.740 4.245 -10.882 1.00 0.00 C ATOM 889 C LYS A 63 -14.647 3.951 -9.869 1.00 0.00 C ATOM 890 O LYS A 63 -14.852 4.075 -8.661 1.00 0.00 O ATOM 891 CB LYS A 63 -16.313 5.646 -10.647 1.00 0.00 C ATOM 892 CG LYS A 63 -15.756 6.707 -11.595 1.00 0.00 C ATOM 893 CD LYS A 63 -14.286 6.471 -11.935 1.00 0.00 C ATOM 894 CE LYS A 63 -13.462 7.739 -11.771 1.00 0.00 C ATOM 895 NZ LYS A 63 -12.550 7.671 -10.598 1.00 0.00 N ATOM 0 H LYS A 63 -17.203 3.130 -9.878 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.317 4.218 -11.886 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.397 5.608 -10.756 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.106 5.945 -9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.342 6.713 -12.514 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.867 7.691 -11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.884 5.689 -11.290 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.202 6.112 -12.961 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.876 7.909 -12.675 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.131 8.593 -11.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.829 8.416 -10.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.097 7.808 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.085 6.741 -10.573 1.00 0.00 H new ATOM 909 N ALA A 64 -13.491 3.546 -10.359 1.00 0.00 N ATOM 910 CA ALA A 64 -12.371 3.261 -9.488 1.00 0.00 C ATOM 911 C ALA A 64 -11.371 4.401 -9.500 1.00 0.00 C ATOM 912 O ALA A 64 -11.242 5.128 -10.488 1.00 0.00 O ATOM 913 CB ALA A 64 -11.694 1.965 -9.895 1.00 0.00 C ATOM 0 H ALA A 64 -13.305 3.408 -11.352 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.754 3.151 -8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.854 1.768 -9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.409 1.145 -9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.332 2.050 -10.919 1.00 0.00 H new ATOM 919 N THR A 65 -10.700 4.562 -8.382 1.00 0.00 N ATOM 920 CA THR A 65 -9.616 5.512 -8.244 1.00 0.00 C ATOM 921 C THR A 65 -8.539 4.895 -7.354 1.00 0.00 C ATOM 922 O THR A 65 -8.462 3.671 -7.243 1.00 0.00 O ATOM 923 CB THR A 65 -10.118 6.847 -7.652 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.550 6.918 -7.753 1.00 0.00 O ATOM 925 CG2 THR A 65 -9.497 8.029 -8.384 1.00 0.00 C ATOM 0 H THR A 65 -10.893 4.032 -7.532 1.00 0.00 H new ATOM 0 HA THR A 65 -9.200 5.733 -9.227 1.00 0.00 H new ATOM 0 HB THR A 65 -9.822 6.891 -6.604 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.863 7.766 -7.375 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.865 8.959 -7.951 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.412 7.987 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.769 7.988 -9.439 1.00 0.00 H new ATOM 933 N LEU A 66 -7.735 5.713 -6.701 1.00 0.00 N ATOM 934 CA LEU A 66 -6.683 5.200 -5.835 1.00 0.00 C ATOM 935 C LEU A 66 -6.353 6.211 -4.754 1.00 0.00 C ATOM 936 O LEU A 66 -6.331 7.417 -5.006 1.00 0.00 O ATOM 937 CB LEU A 66 -5.427 4.853 -6.645 1.00 0.00 C ATOM 938 CG LEU A 66 -5.174 5.733 -7.871 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.940 6.597 -7.665 1.00 0.00 C ATOM 940 CD2 LEU A 66 -5.026 4.876 -9.119 1.00 0.00 C ATOM 0 H LEU A 66 -7.787 6.730 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.044 4.287 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.561 4.919 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.501 3.816 -6.972 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.032 6.391 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.777 7.215 -8.548 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.085 7.238 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.071 5.958 -7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.847 5.518 -9.982 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.186 4.193 -8.994 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.939 4.303 -9.277 1.00 0.00 H new ATOM 952 N ALA A 67 -6.122 5.714 -3.549 1.00 0.00 N ATOM 953 CA ALA A 67 -5.809 6.574 -2.417 1.00 0.00 C ATOM 954 C ALA A 67 -4.999 5.818 -1.377 1.00 0.00 C ATOM 955 O ALA A 67 -5.439 4.789 -0.868 1.00 0.00 O ATOM 956 CB ALA A 67 -7.086 7.121 -1.795 1.00 0.00 C ATOM 0 H ALA A 67 -6.145 4.718 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.211 7.410 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.834 7.762 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.634 7.700 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.706 6.294 -1.450 1.00 0.00 H new