USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 384 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 NoAdj-H: A 29 HIS HE2 : A 29 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Single : A 7 MET CE :methyl -157:sc= -0.136 (180deg=-0.742) USER MOD Single : A 11 TYR OH : rot 180:sc= -1.39! USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0268 USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= -0.051 (180deg=-0.31) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.337 K(o=-0.34,f=-2.1!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.148 K(o=0.15,f=-13!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.013 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 7 -12.290 2.329 -8.355 1.00 0.00 N ATOM 2 CA MET A 7 -11.275 3.349 -8.716 1.00 0.00 C ATOM 3 C MET A 7 -10.197 3.423 -7.645 1.00 0.00 C ATOM 4 O MET A 7 -9.626 4.482 -7.391 1.00 0.00 O ATOM 5 CB MET A 7 -11.937 4.718 -8.884 1.00 0.00 C ATOM 6 CG MET A 7 -12.808 4.822 -10.123 1.00 0.00 C ATOM 7 SD MET A 7 -11.846 4.855 -11.646 1.00 0.00 S ATOM 8 CE MET A 7 -11.007 6.429 -11.468 1.00 0.00 C ATOM 0 HA MET A 7 -10.814 3.060 -9.661 1.00 0.00 H new ATOM 0 HB2 MET A 7 -12.544 4.929 -8.004 1.00 0.00 H new ATOM 0 HB3 MET A 7 -11.163 5.484 -8.929 1.00 0.00 H new ATOM 0 HG2 MET A 7 -13.496 3.977 -10.151 1.00 0.00 H new ATOM 0 HG3 MET A 7 -13.415 5.725 -10.061 1.00 0.00 H new ATOM 0 HE1 MET A 7 -10.709 6.796 -12.450 1.00 0.00 H new ATOM 0 HE2 MET A 7 -11.679 7.149 -11.001 1.00 0.00 H new ATOM 0 HE3 MET A 7 -10.122 6.301 -10.845 1.00 0.00 H new ATOM 17 N GLU A 8 -9.915 2.284 -7.029 1.00 0.00 N ATOM 18 CA GLU A 8 -9.018 2.234 -5.891 1.00 0.00 C ATOM 19 C GLU A 8 -7.665 1.683 -6.307 1.00 0.00 C ATOM 20 O GLU A 8 -7.573 0.589 -6.857 1.00 0.00 O ATOM 21 CB GLU A 8 -9.600 1.361 -4.770 1.00 0.00 C ATOM 22 CG GLU A 8 -10.912 1.869 -4.185 1.00 0.00 C ATOM 23 CD GLU A 8 -12.068 1.793 -5.162 1.00 0.00 C ATOM 24 OE1 GLU A 8 -12.519 0.675 -5.471 1.00 0.00 O ATOM 25 OE2 GLU A 8 -12.530 2.858 -5.628 1.00 0.00 O ATOM 0 H GLU A 8 -10.298 1.379 -7.303 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.897 3.251 -5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.756 0.354 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.865 1.285 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.156 1.287 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.783 2.902 -3.863 1.00 0.00 H new ATOM 32 N ARG A 9 -6.624 2.448 -6.061 1.00 0.00 N ATOM 33 CA ARG A 9 -5.276 1.979 -6.300 1.00 0.00 C ATOM 34 C ARG A 9 -4.679 1.516 -4.986 1.00 0.00 C ATOM 35 O ARG A 9 -4.386 2.329 -4.110 1.00 0.00 O ATOM 36 CB ARG A 9 -4.424 3.086 -6.916 1.00 0.00 C ATOM 37 CG ARG A 9 -4.956 3.584 -8.248 1.00 0.00 C ATOM 38 CD ARG A 9 -4.079 4.682 -8.819 1.00 0.00 C ATOM 39 NE ARG A 9 -3.931 5.798 -7.887 1.00 0.00 N ATOM 40 CZ ARG A 9 -3.126 6.835 -8.093 1.00 0.00 C ATOM 41 NH1 ARG A 9 -2.416 6.918 -9.211 1.00 0.00 N ATOM 42 NH2 ARG A 9 -3.043 7.790 -7.175 1.00 0.00 N ATOM 0 H ARG A 9 -6.685 3.398 -5.695 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.299 1.147 -7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.369 3.922 -6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.407 2.718 -7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.009 2.755 -8.953 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.972 3.958 -8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.096 4.275 -9.058 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.510 5.043 -9.753 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.479 5.780 -7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.487 6.184 -9.916 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.799 7.716 -9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.595 7.724 -6.320 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.428 8.589 -7.325 1.00 0.00 H new ATOM 56 N VAL A 10 -4.529 0.213 -4.838 1.00 0.00 N ATOM 57 CA VAL A 10 -4.050 -0.341 -3.590 1.00 0.00 C ATOM 58 C VAL A 10 -2.560 -0.655 -3.688 1.00 0.00 C ATOM 59 O VAL A 10 -2.070 -1.083 -4.732 1.00 0.00 O ATOM 60 CB VAL A 10 -4.845 -1.603 -3.166 1.00 0.00 C ATOM 61 CG1 VAL A 10 -6.333 -1.296 -3.092 1.00 0.00 C ATOM 62 CG2 VAL A 10 -4.603 -2.768 -4.108 1.00 0.00 C ATOM 0 H VAL A 10 -4.731 -0.476 -5.563 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.207 0.412 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.487 -1.893 -2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.875 -2.193 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.506 -0.507 -2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.686 -0.968 -4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.179 -3.631 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.914 -2.492 -5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.542 -3.019 -4.112 1.00 0.00 H new ATOM 72 N TYR A 11 -1.842 -0.411 -2.607 1.00 0.00 N ATOM 73 CA TYR A 11 -0.400 -0.572 -2.597 1.00 0.00 C ATOM 74 C TYR A 11 -0.005 -1.655 -1.609 1.00 0.00 C ATOM 75 O TYR A 11 -0.367 -1.581 -0.436 1.00 0.00 O ATOM 76 CB TYR A 11 0.269 0.747 -2.205 1.00 0.00 C ATOM 77 CG TYR A 11 -0.265 1.948 -2.950 1.00 0.00 C ATOM 78 CD1 TYR A 11 0.193 2.259 -4.221 1.00 0.00 C ATOM 79 CD2 TYR A 11 -1.225 2.776 -2.376 1.00 0.00 C ATOM 80 CE1 TYR A 11 -0.287 3.359 -4.902 1.00 0.00 C ATOM 81 CE2 TYR A 11 -1.713 3.876 -3.051 1.00 0.00 C ATOM 82 CZ TYR A 11 -1.239 4.166 -4.312 1.00 0.00 C ATOM 83 OH TYR A 11 -1.719 5.271 -4.984 1.00 0.00 O ATOM 0 H TYR A 11 -2.237 -0.099 -1.720 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.071 -0.860 -3.595 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.136 0.907 -1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.341 0.667 -2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.938 1.630 -4.686 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.594 2.554 -1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.080 3.587 -5.892 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.462 4.506 -2.594 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.384 5.729 -4.428 1.00 0.00 H new ATOM 93 N GLN A 12 0.711 -2.665 -2.078 1.00 0.00 N ATOM 94 CA GLN A 12 1.155 -3.737 -1.202 1.00 0.00 C ATOM 95 C GLN A 12 2.656 -3.634 -0.972 1.00 0.00 C ATOM 96 O GLN A 12 3.428 -3.438 -1.913 1.00 0.00 O ATOM 97 CB GLN A 12 0.786 -5.116 -1.771 1.00 0.00 C ATOM 98 CG GLN A 12 1.525 -5.501 -3.044 1.00 0.00 C ATOM 99 CD GLN A 12 1.052 -6.828 -3.608 1.00 0.00 C ATOM 100 OE1 GLN A 12 -0.121 -7.184 -3.494 1.00 0.00 O ATOM 101 NE2 GLN A 12 1.965 -7.582 -4.197 1.00 0.00 N ATOM 0 H GLN A 12 0.995 -2.765 -3.053 1.00 0.00 H new ATOM 0 HA GLN A 12 0.642 -3.630 -0.246 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.984 -5.872 -1.011 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.286 -5.136 -1.970 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.385 -4.721 -3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.594 -5.557 -2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.927 -7.252 -4.272 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.707 -8.493 -4.576 1.00 0.00 H new ATOM 110 N CYS A 13 3.060 -3.736 0.283 1.00 0.00 N ATOM 111 CA CYS A 13 4.468 -3.691 0.633 1.00 0.00 C ATOM 112 C CYS A 13 5.128 -5.006 0.218 1.00 0.00 C ATOM 113 O CYS A 13 4.546 -6.079 0.395 1.00 0.00 O ATOM 114 CB CYS A 13 4.623 -3.454 2.143 1.00 0.00 C ATOM 115 SG CYS A 13 4.280 -4.916 3.154 1.00 0.00 S ATOM 0 H CYS A 13 2.431 -3.851 1.077 1.00 0.00 H new ATOM 0 HA CYS A 13 4.956 -2.869 0.109 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.639 -3.115 2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.952 -2.650 2.445 1.00 0.00 H new ATOM 120 N LEU A 14 6.334 -4.933 -0.330 1.00 0.00 N ATOM 121 CA LEU A 14 7.009 -6.123 -0.846 1.00 0.00 C ATOM 122 C LEU A 14 7.601 -6.984 0.273 1.00 0.00 C ATOM 123 O LEU A 14 8.391 -7.889 0.017 1.00 0.00 O ATOM 124 CB LEU A 14 8.103 -5.732 -1.844 1.00 0.00 C ATOM 125 CG LEU A 14 7.604 -5.072 -3.133 1.00 0.00 C ATOM 126 CD1 LEU A 14 8.775 -4.715 -4.034 1.00 0.00 C ATOM 127 CD2 LEU A 14 6.634 -5.990 -3.861 1.00 0.00 C ATOM 0 H LEU A 14 6.865 -4.068 -0.430 1.00 0.00 H new ATOM 0 HA LEU A 14 6.254 -6.721 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.796 -5.051 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.668 -6.626 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 14 7.078 -4.155 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.403 -4.247 -4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.436 -4.022 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.326 -5.620 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.290 -5.505 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.137 -6.924 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.780 -6.200 -3.218 1.00 0.00 H new ATOM 139 N ARG A 15 7.230 -6.693 1.513 1.00 0.00 N ATOM 140 CA ARG A 15 7.670 -7.503 2.644 1.00 0.00 C ATOM 141 C ARG A 15 6.537 -8.377 3.174 1.00 0.00 C ATOM 142 O ARG A 15 6.649 -9.601 3.200 1.00 0.00 O ATOM 143 CB ARG A 15 8.219 -6.612 3.764 1.00 0.00 C ATOM 144 CG ARG A 15 8.149 -7.245 5.150 1.00 0.00 C ATOM 145 CD ARG A 15 9.026 -8.485 5.264 1.00 0.00 C ATOM 146 NE ARG A 15 8.848 -9.163 6.549 1.00 0.00 N ATOM 147 CZ ARG A 15 9.129 -10.451 6.762 1.00 0.00 C ATOM 148 NH1 ARG A 15 9.554 -11.217 5.764 1.00 0.00 N ATOM 149 NH2 ARG A 15 8.960 -10.976 7.972 1.00 0.00 N ATOM 0 H ARG A 15 6.629 -5.907 1.762 1.00 0.00 H new ATOM 0 HA ARG A 15 8.467 -8.158 2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.257 -6.364 3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.662 -5.675 3.775 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.458 -6.514 5.897 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.116 -7.511 5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.788 -9.174 4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.072 -8.202 5.144 1.00 0.00 H new ATOM 0 HE ARG A 15 8.486 -8.617 7.331 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.667 -10.822 4.830 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.768 -12.200 5.931 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.616 -10.395 8.737 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.174 -11.960 8.136 1.00 0.00 H new ATOM 163 N CYS A 16 5.447 -7.749 3.594 1.00 0.00 N ATOM 164 CA CYS A 16 4.375 -8.478 4.258 1.00 0.00 C ATOM 165 C CYS A 16 3.248 -8.772 3.277 1.00 0.00 C ATOM 166 O CYS A 16 2.390 -9.613 3.536 1.00 0.00 O ATOM 167 CB CYS A 16 3.825 -7.680 5.448 1.00 0.00 C ATOM 168 SG CYS A 16 5.046 -6.656 6.309 1.00 0.00 S ATOM 0 H CYS A 16 5.282 -6.748 3.489 1.00 0.00 H new ATOM 0 HA CYS A 16 4.787 -9.418 4.627 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.018 -7.038 5.094 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.388 -8.377 6.163 1.00 0.00 H new ATOM 173 N GLY A 17 3.258 -8.072 2.151 1.00 0.00 N ATOM 174 CA GLY A 17 2.198 -8.223 1.177 1.00 0.00 C ATOM 175 C GLY A 17 0.957 -7.449 1.567 1.00 0.00 C ATOM 176 O GLY A 17 -0.087 -7.567 0.923 1.00 0.00 O ATOM 0 H GLY A 17 3.983 -7.401 1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.548 -7.880 0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.949 -9.279 1.072 1.00 0.00 H new ATOM 180 N LEU A 18 1.074 -6.648 2.624 1.00 0.00 N ATOM 181 CA LEU A 18 -0.059 -5.874 3.116 1.00 0.00 C ATOM 182 C LEU A 18 -0.429 -4.782 2.122 1.00 0.00 C ATOM 183 O LEU A 18 0.417 -3.972 1.741 1.00 0.00 O ATOM 184 CB LEU A 18 0.262 -5.257 4.482 1.00 0.00 C ATOM 185 CG LEU A 18 0.558 -6.260 5.601 1.00 0.00 C ATOM 186 CD1 LEU A 18 0.876 -5.537 6.900 1.00 0.00 C ATOM 187 CD2 LEU A 18 -0.617 -7.206 5.797 1.00 0.00 C ATOM 0 H LEU A 18 1.937 -6.520 3.152 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.909 -6.547 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.123 -4.597 4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.579 -4.635 4.788 1.00 0.00 H new ATOM 0 HG LEU A 18 1.430 -6.846 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.083 -6.268 7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.749 -4.900 6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.024 -4.924 7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.387 -7.911 6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.505 -6.633 6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.802 -7.753 4.873 1.00 0.00 H new ATOM 199 N THR A 19 -1.688 -4.772 1.701 1.00 0.00 N ATOM 200 CA THR A 19 -2.148 -3.838 0.686 1.00 0.00 C ATOM 201 C THR A 19 -3.063 -2.771 1.292 1.00 0.00 C ATOM 202 O THR A 19 -3.958 -3.079 2.082 1.00 0.00 O ATOM 203 CB THR A 19 -2.891 -4.582 -0.440 1.00 0.00 C ATOM 204 OG1 THR A 19 -2.511 -5.968 -0.443 1.00 0.00 O ATOM 205 CG2 THR A 19 -2.557 -3.976 -1.788 1.00 0.00 C ATOM 0 H THR A 19 -2.409 -5.403 2.050 1.00 0.00 H new ATOM 0 HA THR A 19 -1.270 -3.346 0.268 1.00 0.00 H new ATOM 0 HB THR A 19 -3.963 -4.492 -0.262 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.988 -6.436 -1.160 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.091 -4.514 -2.571 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.856 -2.928 -1.800 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.484 -4.049 -1.964 1.00 0.00 H new ATOM 213 N PHE A 20 -2.829 -1.519 0.920 1.00 0.00 N ATOM 214 CA PHE A 20 -3.591 -0.392 1.456 1.00 0.00 C ATOM 215 C PHE A 20 -4.201 0.414 0.316 1.00 0.00 C ATOM 216 O PHE A 20 -3.619 0.498 -0.759 1.00 0.00 O ATOM 217 CB PHE A 20 -2.678 0.521 2.277 1.00 0.00 C ATOM 218 CG PHE A 20 -1.706 -0.219 3.150 1.00 0.00 C ATOM 219 CD1 PHE A 20 -2.065 -0.636 4.420 1.00 0.00 C ATOM 220 CD2 PHE A 20 -0.433 -0.503 2.689 1.00 0.00 C ATOM 221 CE1 PHE A 20 -1.169 -1.321 5.215 1.00 0.00 C ATOM 222 CE2 PHE A 20 0.468 -1.187 3.475 1.00 0.00 C ATOM 223 CZ PHE A 20 0.101 -1.598 4.742 1.00 0.00 C ATOM 0 H PHE A 20 -2.112 -1.254 0.244 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.383 -0.784 2.094 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.122 1.168 1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.294 1.168 2.902 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.056 -0.423 4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.142 -0.184 1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.459 -1.640 6.205 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.459 -1.401 3.102 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.804 -2.134 5.362 1.00 0.00 H new ATOM 233 N ARG A 21 -5.359 1.011 0.556 1.00 0.00 N ATOM 234 CA ARG A 21 -6.061 1.771 -0.482 1.00 0.00 C ATOM 235 C ARG A 21 -5.623 3.235 -0.514 1.00 0.00 C ATOM 236 O ARG A 21 -6.052 3.999 -1.384 1.00 0.00 O ATOM 237 CB ARG A 21 -7.569 1.711 -0.254 1.00 0.00 C ATOM 238 CG ARG A 21 -8.138 0.303 -0.254 1.00 0.00 C ATOM 239 CD ARG A 21 -9.600 0.303 0.161 1.00 0.00 C ATOM 240 NE ARG A 21 -9.788 0.903 1.479 1.00 0.00 N ATOM 241 CZ ARG A 21 -10.968 1.268 1.970 1.00 0.00 C ATOM 242 NH1 ARG A 21 -12.080 1.052 1.274 1.00 0.00 N ATOM 243 NH2 ARG A 21 -11.036 1.847 3.160 1.00 0.00 N ATOM 0 H ARG A 21 -5.836 0.987 1.457 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.807 1.314 -1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.801 2.186 0.699 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.067 2.293 -1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.039 -0.132 -1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.563 -0.325 0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.187 0.852 -0.576 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.976 -0.720 0.170 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.962 1.051 2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.030 0.604 0.359 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.983 1.334 1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.184 2.011 3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.940 2.128 3.539 1.00 0.00 H new ATOM 257 N THR A 22 -4.790 3.632 0.438 1.00 0.00 N ATOM 258 CA THR A 22 -4.357 5.019 0.537 1.00 0.00 C ATOM 259 C THR A 22 -2.840 5.126 0.665 1.00 0.00 C ATOM 260 O THR A 22 -2.185 4.219 1.188 1.00 0.00 O ATOM 261 CB THR A 22 -5.025 5.732 1.732 1.00 0.00 C ATOM 262 OG1 THR A 22 -4.855 4.961 2.929 1.00 0.00 O ATOM 263 CG2 THR A 22 -6.509 5.956 1.477 1.00 0.00 C ATOM 0 H THR A 22 -4.401 3.015 1.151 1.00 0.00 H new ATOM 0 HA THR A 22 -4.665 5.510 -0.386 1.00 0.00 H new ATOM 0 HB THR A 22 -4.543 6.702 1.854 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.281 5.424 3.680 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.954 6.460 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.636 6.573 0.588 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.001 4.995 1.325 1.00 0.00 H new ATOM 271 N LYS A 23 -2.291 6.238 0.183 1.00 0.00 N ATOM 272 CA LYS A 23 -0.856 6.490 0.253 1.00 0.00 C ATOM 273 C LYS A 23 -0.371 6.516 1.696 1.00 0.00 C ATOM 274 O LYS A 23 0.654 5.923 2.021 1.00 0.00 O ATOM 275 CB LYS A 23 -0.514 7.822 -0.421 1.00 0.00 C ATOM 276 CG LYS A 23 -0.489 7.767 -1.940 1.00 0.00 C ATOM 277 CD LYS A 23 0.673 6.929 -2.445 1.00 0.00 C ATOM 278 CE LYS A 23 0.787 6.979 -3.961 1.00 0.00 C ATOM 279 NZ LYS A 23 1.066 8.350 -4.459 1.00 0.00 N ATOM 0 H LYS A 23 -2.824 6.984 -0.264 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.353 5.677 -0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.241 8.571 -0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.461 8.156 -0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.427 7.349 -2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.412 8.778 -2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.601 7.287 -1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.543 5.896 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.582 6.308 -4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.139 6.615 -4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.417 8.300 -5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.192 8.913 -4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.785 8.799 -3.856 1.00 0.00 H new ATOM 293 N LYS A 24 -1.123 7.199 2.553 1.00 0.00 N ATOM 294 CA LYS A 24 -0.744 7.386 3.952 1.00 0.00 C ATOM 295 C LYS A 24 -0.445 6.058 4.643 1.00 0.00 C ATOM 296 O LYS A 24 0.571 5.920 5.327 1.00 0.00 O ATOM 297 CB LYS A 24 -1.856 8.119 4.703 1.00 0.00 C ATOM 298 CG LYS A 24 -2.171 9.491 4.138 1.00 0.00 C ATOM 299 CD LYS A 24 -3.343 10.129 4.861 1.00 0.00 C ATOM 300 CE LYS A 24 -3.717 11.465 4.242 1.00 0.00 C ATOM 301 NZ LYS A 24 -4.879 12.089 4.926 1.00 0.00 N ATOM 0 H LYS A 24 -2.009 7.637 2.300 1.00 0.00 H new ATOM 0 HA LYS A 24 0.167 7.984 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.760 7.510 4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.568 8.224 5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.294 10.133 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.399 9.406 3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.201 9.458 4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.090 10.271 5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.862 12.139 4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.951 11.323 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.101 12.998 4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.702 11.457 4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.648 12.249 5.927 1.00 0.00 H new ATOM 315 N GLN A 25 -1.331 5.088 4.453 1.00 0.00 N ATOM 316 CA GLN A 25 -1.194 3.780 5.086 1.00 0.00 C ATOM 317 C GLN A 25 0.023 3.037 4.554 1.00 0.00 C ATOM 318 O GLN A 25 0.693 2.314 5.291 1.00 0.00 O ATOM 319 CB GLN A 25 -2.456 2.953 4.845 1.00 0.00 C ATOM 320 CG GLN A 25 -3.704 3.553 5.466 1.00 0.00 C ATOM 321 CD GLN A 25 -3.716 3.446 6.976 1.00 0.00 C ATOM 322 OE1 GLN A 25 -3.202 4.313 7.678 1.00 0.00 O ATOM 323 NE2 GLN A 25 -4.308 2.376 7.483 1.00 0.00 N ATOM 0 H GLN A 25 -2.157 5.183 3.862 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.057 3.932 6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.610 2.846 3.771 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.306 1.951 5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.779 4.602 5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.583 3.050 5.063 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.722 1.680 6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.350 2.247 8.494 1.00 0.00 H new ATOM 332 N LEU A 26 0.313 3.237 3.278 1.00 0.00 N ATOM 333 CA LEU A 26 1.409 2.551 2.624 1.00 0.00 C ATOM 334 C LEU A 26 2.731 3.142 3.076 1.00 0.00 C ATOM 335 O LEU A 26 3.596 2.446 3.608 1.00 0.00 O ATOM 336 CB LEU A 26 1.230 2.729 1.109 1.00 0.00 C ATOM 337 CG LEU A 26 2.257 2.064 0.186 1.00 0.00 C ATOM 338 CD1 LEU A 26 3.592 2.793 0.177 1.00 0.00 C ATOM 339 CD2 LEU A 26 2.444 0.601 0.554 1.00 0.00 C ATOM 0 H LEU A 26 -0.203 3.876 2.672 1.00 0.00 H new ATOM 0 HA LEU A 26 1.411 1.492 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.244 2.350 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.230 3.798 0.895 1.00 0.00 H new ATOM 0 HG LEU A 26 1.858 2.123 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.282 2.280 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.445 3.817 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.006 2.806 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.177 0.149 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.796 0.527 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.493 0.077 0.457 1.00 0.00 H new ATOM 351 N ILE A 27 2.849 4.444 2.879 1.00 0.00 N ATOM 352 CA ILE A 27 4.048 5.189 3.242 1.00 0.00 C ATOM 353 C ILE A 27 4.454 4.954 4.697 1.00 0.00 C ATOM 354 O ILE A 27 5.602 4.613 4.971 1.00 0.00 O ATOM 355 CB ILE A 27 3.866 6.705 2.999 1.00 0.00 C ATOM 356 CG1 ILE A 27 3.515 6.972 1.530 1.00 0.00 C ATOM 357 CG2 ILE A 27 5.132 7.462 3.384 1.00 0.00 C ATOM 358 CD1 ILE A 27 3.263 8.434 1.220 1.00 0.00 C ATOM 0 H ILE A 27 2.116 5.018 2.462 1.00 0.00 H new ATOM 0 HA ILE A 27 4.845 4.816 2.598 1.00 0.00 H new ATOM 0 HB ILE A 27 3.046 7.058 3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.328 6.611 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.628 6.396 1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.987 8.528 3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.349 7.296 4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.967 7.104 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.021 8.545 0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.430 8.796 1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.157 9.014 1.450 1.00 0.00 H new ATOM 370 N ARG A 28 3.513 5.112 5.629 1.00 0.00 N ATOM 371 CA ARG A 28 3.843 4.994 7.048 1.00 0.00 C ATOM 372 C ARG A 28 4.341 3.589 7.384 1.00 0.00 C ATOM 373 O ARG A 28 5.261 3.430 8.183 1.00 0.00 O ATOM 374 CB ARG A 28 2.645 5.351 7.940 1.00 0.00 C ATOM 375 CG ARG A 28 1.487 4.372 7.848 1.00 0.00 C ATOM 376 CD ARG A 28 0.438 4.648 8.910 1.00 0.00 C ATOM 377 NE ARG A 28 -0.661 3.690 8.842 1.00 0.00 N ATOM 378 CZ ARG A 28 -0.908 2.764 9.769 1.00 0.00 C ATOM 379 NH1 ARG A 28 -0.170 2.701 10.870 1.00 0.00 N ATOM 380 NH2 ARG A 28 -1.912 1.911 9.596 1.00 0.00 N ATOM 0 H ARG A 28 2.534 5.318 5.432 1.00 0.00 H new ATOM 0 HA ARG A 28 4.643 5.707 7.248 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.980 5.404 8.976 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.288 6.345 7.670 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.032 4.438 6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.860 3.354 7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.899 4.605 9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.049 5.658 8.784 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.280 3.732 8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.592 3.364 11.012 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.365 1.990 11.575 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.490 1.966 8.757 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.105 1.201 10.302 1.00 0.00 H new ATOM 394 N HIS A 29 3.745 2.580 6.757 1.00 0.00 N ATOM 395 CA HIS A 29 4.113 1.194 7.017 1.00 0.00 C ATOM 396 C HIS A 29 5.476 0.887 6.408 1.00 0.00 C ATOM 397 O HIS A 29 6.335 0.282 7.052 1.00 0.00 O ATOM 398 CB HIS A 29 3.034 0.256 6.455 1.00 0.00 C ATOM 399 CG HIS A 29 3.348 -1.205 6.582 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.626 -1.833 7.772 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.430 -2.162 5.627 1.00 0.00 C ATOM 402 CE1 HIS A 29 3.871 -3.126 7.509 1.00 0.00 C ATOM 403 NE2 HIS A 29 3.760 -3.376 6.219 1.00 0.00 N ATOM 0 H HIS A 29 3.005 2.697 6.065 1.00 0.00 H new ATOM 0 HA HIS A 29 4.182 1.036 8.093 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.093 0.458 6.967 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.880 0.491 5.402 1.00 0.00 H new ATOM 0 HD1 HIS A 29 3.643 -1.394 8.693 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.265 -2.006 4.571 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.125 -3.864 8.255 1.00 0.00 H new ATOM 411 N LEU A 30 5.657 1.310 5.165 1.00 0.00 N ATOM 412 CA LEU A 30 6.936 1.204 4.477 1.00 0.00 C ATOM 413 C LEU A 30 8.072 1.834 5.279 1.00 0.00 C ATOM 414 O LEU A 30 9.126 1.226 5.453 1.00 0.00 O ATOM 415 CB LEU A 30 6.835 1.857 3.097 1.00 0.00 C ATOM 416 CG LEU A 30 6.377 0.939 1.956 1.00 0.00 C ATOM 417 CD1 LEU A 30 7.552 0.142 1.414 1.00 0.00 C ATOM 418 CD2 LEU A 30 5.284 -0.009 2.423 1.00 0.00 C ATOM 0 H LEU A 30 4.920 1.737 4.604 1.00 0.00 H new ATOM 0 HA LEU A 30 7.168 0.145 4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.143 2.696 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.811 2.268 2.838 1.00 0.00 H new ATOM 0 HG LEU A 30 5.974 1.568 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.211 -0.504 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.312 0.826 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.977 -0.468 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.978 -0.648 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.662 -0.627 3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.427 0.567 2.772 1.00 0.00 H new ATOM 430 N VAL A 31 7.850 3.041 5.779 1.00 0.00 N ATOM 431 CA VAL A 31 8.879 3.748 6.531 1.00 0.00 C ATOM 432 C VAL A 31 9.100 3.124 7.912 1.00 0.00 C ATOM 433 O VAL A 31 10.237 2.922 8.333 1.00 0.00 O ATOM 434 CB VAL A 31 8.534 5.245 6.697 1.00 0.00 C ATOM 435 CG1 VAL A 31 9.600 5.965 7.513 1.00 0.00 C ATOM 436 CG2 VAL A 31 8.372 5.907 5.336 1.00 0.00 C ATOM 0 H VAL A 31 6.972 3.550 5.679 1.00 0.00 H new ATOM 0 HA VAL A 31 9.799 3.659 5.953 1.00 0.00 H new ATOM 0 HB VAL A 31 7.589 5.316 7.236 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.332 7.017 7.614 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.670 5.511 8.502 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.562 5.883 7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.129 6.961 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.302 5.818 4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.568 5.417 4.786 1.00 0.00 H new ATOM 446 N ASN A 32 8.016 2.799 8.602 1.00 0.00 N ATOM 447 CA ASN A 32 8.106 2.375 9.996 1.00 0.00 C ATOM 448 C ASN A 32 8.515 0.910 10.127 1.00 0.00 C ATOM 449 O ASN A 32 9.483 0.587 10.813 1.00 0.00 O ATOM 450 CB ASN A 32 6.771 2.589 10.710 1.00 0.00 C ATOM 451 CG ASN A 32 6.936 2.751 12.205 1.00 0.00 C ATOM 452 OD1 ASN A 32 6.946 1.777 12.956 1.00 0.00 O ATOM 453 ND2 ASN A 32 7.047 3.992 12.648 1.00 0.00 N ATOM 0 H ASN A 32 7.069 2.820 8.224 1.00 0.00 H new ATOM 0 HA ASN A 32 8.878 2.988 10.462 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.282 3.474 10.303 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.115 1.742 10.509 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.146 4.170 13.648 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.034 4.771 11.990 1.00 0.00 H new ATOM 460 N THR A 33 7.782 0.030 9.464 1.00 0.00 N ATOM 461 CA THR A 33 7.960 -1.402 9.656 1.00 0.00 C ATOM 462 C THR A 33 8.944 -1.999 8.650 1.00 0.00 C ATOM 463 O THR A 33 9.757 -2.855 9.004 1.00 0.00 O ATOM 464 CB THR A 33 6.608 -2.133 9.565 1.00 0.00 C ATOM 465 OG1 THR A 33 5.668 -1.507 10.449 1.00 0.00 O ATOM 466 CG2 THR A 33 6.750 -3.604 9.938 1.00 0.00 C ATOM 0 H THR A 33 7.059 0.280 8.789 1.00 0.00 H new ATOM 0 HA THR A 33 8.379 -1.541 10.653 1.00 0.00 H new ATOM 0 HB THR A 33 6.255 -2.073 8.536 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.806 -1.970 10.391 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.779 -4.093 9.864 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.452 -4.086 9.257 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.121 -3.686 10.960 1.00 0.00 H new ATOM 474 N GLU A 34 8.891 -1.537 7.403 1.00 0.00 N ATOM 475 CA GLU A 34 9.772 -2.072 6.371 1.00 0.00 C ATOM 476 C GLU A 34 11.113 -1.340 6.393 1.00 0.00 C ATOM 477 O GLU A 34 12.008 -1.641 5.606 1.00 0.00 O ATOM 478 CB GLU A 34 9.155 -1.936 4.971 1.00 0.00 C ATOM 479 CG GLU A 34 7.632 -1.946 4.928 1.00 0.00 C ATOM 480 CD GLU A 34 6.999 -3.275 5.259 1.00 0.00 C ATOM 481 OE1 GLU A 34 6.749 -4.072 4.344 1.00 0.00 O ATOM 482 OE2 GLU A 34 6.632 -3.518 6.416 1.00 0.00 O ATOM 0 H GLU A 34 8.256 -0.804 7.087 1.00 0.00 H new ATOM 0 HA GLU A 34 9.917 -3.131 6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.509 -1.007 4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.525 -2.750 4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.258 -1.197 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.309 -1.643 3.932 1.00 0.00 H new ATOM 489 N LYS A 35 11.220 -0.377 7.326 1.00 0.00 N ATOM 490 CA LYS A 35 12.390 0.504 7.482 1.00 0.00 C ATOM 491 C LYS A 35 12.901 1.036 6.144 1.00 0.00 C ATOM 492 O LYS A 35 14.108 1.118 5.913 1.00 0.00 O ATOM 493 CB LYS A 35 13.530 -0.157 8.290 1.00 0.00 C ATOM 494 CG LYS A 35 13.959 -1.541 7.823 1.00 0.00 C ATOM 495 CD LYS A 35 13.365 -2.635 8.700 1.00 0.00 C ATOM 496 CE LYS A 35 13.906 -2.554 10.117 1.00 0.00 C ATOM 497 NZ LYS A 35 13.260 -3.536 11.024 1.00 0.00 N ATOM 0 H LYS A 35 10.482 -0.186 8.004 1.00 0.00 H new ATOM 0 HA LYS A 35 12.040 1.359 8.061 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.399 0.501 8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.218 -0.227 9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.645 -1.691 6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.047 -1.611 7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.279 -2.543 8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.596 -3.612 8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.982 -2.729 10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.751 -1.547 10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.661 -3.443 11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.237 -3.355 11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.429 -4.499 10.670 1.00 0.00 H new ATOM 511 N VAL A 36 11.975 1.416 5.276 1.00 0.00 N ATOM 512 CA VAL A 36 12.320 1.988 3.989 1.00 0.00 C ATOM 513 C VAL A 36 12.218 3.508 4.038 1.00 0.00 C ATOM 514 O VAL A 36 11.186 4.055 4.424 1.00 0.00 O ATOM 515 CB VAL A 36 11.396 1.452 2.873 1.00 0.00 C ATOM 516 CG1 VAL A 36 11.704 2.131 1.550 1.00 0.00 C ATOM 517 CG2 VAL A 36 11.534 -0.058 2.740 1.00 0.00 C ATOM 0 H VAL A 36 10.972 1.336 5.444 1.00 0.00 H new ATOM 0 HA VAL A 36 13.346 1.697 3.765 1.00 0.00 H new ATOM 0 HB VAL A 36 10.366 1.681 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.042 1.739 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.551 3.206 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.740 1.936 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.875 -0.415 1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 36 12.566 -0.309 2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.260 -0.533 3.682 1.00 0.00 H new ATOM 527 N ASN A 37 13.303 4.181 3.667 1.00 0.00 N ATOM 528 CA ASN A 37 13.311 5.639 3.560 1.00 0.00 C ATOM 529 C ASN A 37 12.192 6.086 2.615 1.00 0.00 C ATOM 530 O ASN A 37 12.060 5.559 1.513 1.00 0.00 O ATOM 531 CB ASN A 37 14.685 6.111 3.046 1.00 0.00 C ATOM 532 CG ASN A 37 14.836 7.628 2.970 1.00 0.00 C ATOM 533 OD1 ASN A 37 13.893 8.357 2.675 1.00 0.00 O ATOM 534 ND2 ASN A 37 16.035 8.119 3.241 1.00 0.00 N ATOM 0 H ASN A 37 14.192 3.739 3.434 1.00 0.00 H new ATOM 0 HA ASN A 37 13.138 6.085 4.540 1.00 0.00 H new ATOM 0 HB2 ASN A 37 15.461 5.712 3.699 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.854 5.690 2.055 1.00 0.00 H new ATOM 0 HD21 ASN A 37 16.193 9.126 3.208 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.801 7.490 3.483 1.00 0.00 H new ATOM 541 N PRO A 38 11.358 7.050 3.056 1.00 0.00 N ATOM 542 CA PRO A 38 10.218 7.563 2.278 1.00 0.00 C ATOM 543 C PRO A 38 10.604 8.051 0.879 1.00 0.00 C ATOM 544 O PRO A 38 9.747 8.198 0.009 1.00 0.00 O ATOM 545 CB PRO A 38 9.693 8.738 3.120 1.00 0.00 C ATOM 546 CG PRO A 38 10.755 9.013 4.132 1.00 0.00 C ATOM 547 CD PRO A 38 11.445 7.707 4.369 1.00 0.00 C ATOM 0 HA PRO A 38 9.484 6.776 2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.508 9.614 2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.749 8.484 3.602 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.456 9.764 3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.324 9.400 5.055 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.479 7.847 4.684 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.952 7.124 5.147 1.00 0.00 H new ATOM 555 N LEU A 39 11.885 8.319 0.670 1.00 0.00 N ATOM 556 CA LEU A 39 12.380 8.733 -0.638 1.00 0.00 C ATOM 557 C LEU A 39 12.610 7.523 -1.546 1.00 0.00 C ATOM 558 O LEU A 39 12.676 7.655 -2.766 1.00 0.00 O ATOM 559 CB LEU A 39 13.685 9.522 -0.482 1.00 0.00 C ATOM 560 CG LEU A 39 13.555 10.990 -0.039 1.00 0.00 C ATOM 561 CD1 LEU A 39 12.622 11.145 1.157 1.00 0.00 C ATOM 562 CD2 LEU A 39 14.926 11.536 0.308 1.00 0.00 C ATOM 0 H LEU A 39 12.604 8.257 1.391 1.00 0.00 H new ATOM 0 HA LEU A 39 11.626 9.371 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.313 9.002 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.213 9.500 -1.436 1.00 0.00 H new ATOM 0 HG LEU A 39 13.124 11.552 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.560 12.197 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.629 10.780 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.009 10.569 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.835 12.576 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 39 15.357 10.949 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 39 15.573 11.477 -0.567 1.00 0.00 H new ATOM 574 N SER A 40 12.712 6.344 -0.946 1.00 0.00 N ATOM 575 CA SER A 40 13.032 5.132 -1.688 1.00 0.00 C ATOM 576 C SER A 40 11.835 4.179 -1.764 1.00 0.00 C ATOM 577 O SER A 40 11.899 3.157 -2.446 1.00 0.00 O ATOM 578 CB SER A 40 14.205 4.419 -1.016 1.00 0.00 C ATOM 579 OG SER A 40 15.275 5.316 -0.765 1.00 0.00 O ATOM 0 H SER A 40 12.577 6.201 0.055 1.00 0.00 H new ATOM 0 HA SER A 40 13.296 5.422 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 40 13.874 3.973 -0.078 1.00 0.00 H new ATOM 0 HB3 SER A 40 14.551 3.604 -1.652 1.00 0.00 H new ATOM 0 HG SER A 40 16.011 4.834 -0.333 1.00 0.00 H new ATOM 585 N ILE A 41 10.741 4.526 -1.075 1.00 0.00 N ATOM 586 CA ILE A 41 9.576 3.634 -0.949 1.00 0.00 C ATOM 587 C ILE A 41 9.044 3.157 -2.298 1.00 0.00 C ATOM 588 O ILE A 41 8.498 2.061 -2.396 1.00 0.00 O ATOM 589 CB ILE A 41 8.407 4.294 -0.182 1.00 0.00 C ATOM 590 CG1 ILE A 41 8.063 5.660 -0.784 1.00 0.00 C ATOM 591 CG2 ILE A 41 8.732 4.412 1.298 1.00 0.00 C ATOM 592 CD1 ILE A 41 6.866 6.325 -0.140 1.00 0.00 C ATOM 0 H ILE A 41 10.636 5.419 -0.594 1.00 0.00 H new ATOM 0 HA ILE A 41 9.949 2.778 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 41 7.529 3.655 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.927 6.317 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.870 5.539 -1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.896 4.879 1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.908 3.419 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.626 5.022 1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.683 7.287 -0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.989 5.689 -0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.062 6.479 0.921 1.00 0.00 H new ATOM 604 N ASP A 42 9.236 3.971 -3.331 1.00 0.00 N ATOM 605 CA ASP A 42 8.667 3.715 -4.660 1.00 0.00 C ATOM 606 C ASP A 42 9.080 2.350 -5.218 1.00 0.00 C ATOM 607 O ASP A 42 8.384 1.776 -6.054 1.00 0.00 O ATOM 608 CB ASP A 42 9.095 4.830 -5.619 1.00 0.00 C ATOM 609 CG ASP A 42 8.489 4.691 -7.004 1.00 0.00 C ATOM 610 OD1 ASP A 42 7.281 4.976 -7.165 1.00 0.00 O ATOM 611 OD2 ASP A 42 9.226 4.330 -7.945 1.00 0.00 O ATOM 0 H ASP A 42 9.789 4.827 -3.276 1.00 0.00 H new ATOM 0 HA ASP A 42 7.582 3.702 -4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.807 5.793 -5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.182 4.831 -5.703 1.00 0.00 H new ATOM 616 N TYR A 43 10.198 1.830 -4.736 1.00 0.00 N ATOM 617 CA TYR A 43 10.729 0.566 -5.233 1.00 0.00 C ATOM 618 C TYR A 43 10.224 -0.627 -4.412 1.00 0.00 C ATOM 619 O TYR A 43 10.231 -1.762 -4.886 1.00 0.00 O ATOM 620 CB TYR A 43 12.260 0.616 -5.215 1.00 0.00 C ATOM 621 CG TYR A 43 12.929 -0.582 -5.853 1.00 0.00 C ATOM 622 CD1 TYR A 43 13.012 -0.697 -7.235 1.00 0.00 C ATOM 623 CD2 TYR A 43 13.484 -1.590 -5.076 1.00 0.00 C ATOM 624 CE1 TYR A 43 13.629 -1.784 -7.823 1.00 0.00 C ATOM 625 CE2 TYR A 43 14.101 -2.681 -5.656 1.00 0.00 C ATOM 626 CZ TYR A 43 14.171 -2.771 -7.029 1.00 0.00 C ATOM 627 OH TYR A 43 14.788 -3.853 -7.610 1.00 0.00 O ATOM 0 H TYR A 43 10.757 2.263 -4.001 1.00 0.00 H new ATOM 0 HA TYR A 43 10.377 0.426 -6.255 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.589 1.518 -5.731 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.597 0.698 -4.182 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.588 0.075 -7.859 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.432 -1.520 -4.000 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.686 -1.860 -8.899 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.526 -3.458 -5.038 1.00 0.00 H new ATOM 0 HH TYR A 43 15.117 -4.456 -6.911 1.00 0.00 H new ATOM 637 N TYR A 44 9.775 -0.373 -3.186 1.00 0.00 N ATOM 638 CA TYR A 44 9.475 -1.455 -2.248 1.00 0.00 C ATOM 639 C TYR A 44 7.981 -1.633 -2.046 1.00 0.00 C ATOM 640 O TYR A 44 7.545 -2.421 -1.203 1.00 0.00 O ATOM 641 CB TYR A 44 10.160 -1.194 -0.913 1.00 0.00 C ATOM 642 CG TYR A 44 11.640 -0.970 -1.069 1.00 0.00 C ATOM 643 CD1 TYR A 44 12.129 0.284 -1.381 1.00 0.00 C ATOM 644 CD2 TYR A 44 12.543 -2.015 -0.939 1.00 0.00 C ATOM 645 CE1 TYR A 44 13.474 0.502 -1.557 1.00 0.00 C ATOM 646 CE2 TYR A 44 13.897 -1.808 -1.110 1.00 0.00 C ATOM 647 CZ TYR A 44 14.361 -0.546 -1.420 1.00 0.00 C ATOM 648 OH TYR A 44 15.709 -0.334 -1.599 1.00 0.00 O ATOM 0 H TYR A 44 9.611 0.565 -2.819 1.00 0.00 H new ATOM 0 HA TYR A 44 9.859 -2.380 -2.678 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.710 -0.321 -0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.990 -2.040 -0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.440 1.109 -1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.182 -3.004 -0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.836 1.490 -1.802 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.590 -2.630 -1.002 1.00 0.00 H new ATOM 0 HH TYR A 44 16.193 -1.176 -1.465 1.00 0.00 H new ATOM 658 N TYR A 45 7.196 -0.898 -2.809 1.00 0.00 N ATOM 659 CA TYR A 45 5.753 -1.104 -2.795 1.00 0.00 C ATOM 660 C TYR A 45 5.242 -1.388 -4.203 1.00 0.00 C ATOM 661 O TYR A 45 5.753 -0.843 -5.183 1.00 0.00 O ATOM 662 CB TYR A 45 5.005 0.088 -2.162 1.00 0.00 C ATOM 663 CG TYR A 45 4.802 1.299 -3.059 1.00 0.00 C ATOM 664 CD1 TYR A 45 3.763 1.338 -3.985 1.00 0.00 C ATOM 665 CD2 TYR A 45 5.629 2.407 -2.961 1.00 0.00 C ATOM 666 CE1 TYR A 45 3.565 2.443 -4.787 1.00 0.00 C ATOM 667 CE2 TYR A 45 5.433 3.518 -3.758 1.00 0.00 C ATOM 668 CZ TYR A 45 4.402 3.529 -4.671 1.00 0.00 C ATOM 669 OH TYR A 45 4.202 4.635 -5.464 1.00 0.00 O ATOM 0 H TYR A 45 7.521 -0.164 -3.438 1.00 0.00 H new ATOM 0 HA TYR A 45 5.550 -1.974 -2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.028 -0.259 -1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.553 0.405 -1.275 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.101 0.489 -4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.441 2.402 -2.249 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.756 2.456 -5.503 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.085 4.374 -3.666 1.00 0.00 H new ATOM 0 HH TYR A 45 4.879 5.313 -5.257 1.00 0.00 H new ATOM 679 N GLN A 46 4.246 -2.256 -4.302 1.00 0.00 N ATOM 680 CA GLN A 46 3.664 -2.603 -5.590 1.00 0.00 C ATOM 681 C GLN A 46 2.224 -2.106 -5.662 1.00 0.00 C ATOM 682 O GLN A 46 1.456 -2.280 -4.717 1.00 0.00 O ATOM 683 CB GLN A 46 3.702 -4.117 -5.804 1.00 0.00 C ATOM 684 CG GLN A 46 3.323 -4.543 -7.213 1.00 0.00 C ATOM 685 CD GLN A 46 3.160 -6.042 -7.333 1.00 0.00 C ATOM 686 OE1 GLN A 46 4.121 -6.761 -7.599 1.00 0.00 O ATOM 687 NE2 GLN A 46 1.941 -6.522 -7.144 1.00 0.00 N ATOM 0 H GLN A 46 3.824 -2.733 -3.505 1.00 0.00 H new ATOM 0 HA GLN A 46 4.249 -2.124 -6.375 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.705 -4.482 -5.581 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.024 -4.593 -5.095 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.392 -4.054 -7.500 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.089 -4.206 -7.911 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.172 -5.889 -6.925 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.771 -7.525 -7.217 1.00 0.00 H new ATOM 696 N SER A 47 1.865 -1.490 -6.777 1.00 0.00 N ATOM 697 CA SER A 47 0.532 -0.935 -6.950 1.00 0.00 C ATOM 698 C SER A 47 -0.382 -1.898 -7.701 1.00 0.00 C ATOM 699 O SER A 47 0.004 -2.474 -8.718 1.00 0.00 O ATOM 700 CB SER A 47 0.638 0.391 -7.700 1.00 0.00 C ATOM 701 OG SER A 47 1.462 0.253 -8.846 1.00 0.00 O ATOM 0 H SER A 47 2.481 -1.361 -7.579 1.00 0.00 H new ATOM 0 HA SER A 47 0.092 -0.770 -5.966 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.355 0.727 -7.998 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.048 1.156 -7.041 1.00 0.00 H new ATOM 0 HG SER A 47 1.517 1.112 -9.315 1.00 0.00 H new ATOM 707 N PHE A 48 -1.584 -2.086 -7.180 1.00 0.00 N ATOM 708 CA PHE A 48 -2.604 -2.879 -7.847 1.00 0.00 C ATOM 709 C PHE A 48 -3.834 -2.008 -8.068 1.00 0.00 C ATOM 710 O PHE A 48 -4.224 -1.245 -7.186 1.00 0.00 O ATOM 711 CB PHE A 48 -2.957 -4.114 -7.010 1.00 0.00 C ATOM 712 CG PHE A 48 -3.951 -5.035 -7.659 1.00 0.00 C ATOM 713 CD1 PHE A 48 -3.539 -5.968 -8.596 1.00 0.00 C ATOM 714 CD2 PHE A 48 -5.296 -4.967 -7.333 1.00 0.00 C ATOM 715 CE1 PHE A 48 -4.449 -6.816 -9.195 1.00 0.00 C ATOM 716 CE2 PHE A 48 -6.211 -5.812 -7.929 1.00 0.00 C ATOM 717 CZ PHE A 48 -5.786 -6.737 -8.863 1.00 0.00 C ATOM 0 H PHE A 48 -1.879 -1.695 -6.286 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.228 -3.228 -8.809 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.044 -4.672 -6.803 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.355 -3.786 -6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.494 -6.033 -8.861 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.633 -4.245 -6.604 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.115 -7.541 -9.923 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.257 -5.750 -7.666 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.500 -7.398 -9.333 1.00 0.00 H new ATOM 727 N SER A 49 -4.441 -2.109 -9.238 1.00 0.00 N ATOM 728 CA SER A 49 -5.540 -1.224 -9.580 1.00 0.00 C ATOM 729 C SER A 49 -6.887 -1.938 -9.513 1.00 0.00 C ATOM 730 O SER A 49 -7.081 -2.999 -10.113 1.00 0.00 O ATOM 731 CB SER A 49 -5.309 -0.640 -10.972 1.00 0.00 C ATOM 732 OG SER A 49 -4.034 -0.020 -11.048 1.00 0.00 O ATOM 0 H SER A 49 -4.195 -2.787 -9.959 1.00 0.00 H new ATOM 0 HA SER A 49 -5.570 -0.418 -8.847 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.381 -1.430 -11.720 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.088 0.088 -11.201 1.00 0.00 H new ATOM 0 HG SER A 49 -3.902 0.347 -11.947 1.00 0.00 H new ATOM 738 N VAL A 50 -7.810 -1.340 -8.771 1.00 0.00 N ATOM 739 CA VAL A 50 -9.169 -1.844 -8.654 1.00 0.00 C ATOM 740 C VAL A 50 -10.135 -0.845 -9.286 1.00 0.00 C ATOM 741 O VAL A 50 -10.188 0.317 -8.883 1.00 0.00 O ATOM 742 CB VAL A 50 -9.570 -2.066 -7.174 1.00 0.00 C ATOM 743 CG1 VAL A 50 -10.903 -2.791 -7.076 1.00 0.00 C ATOM 744 CG2 VAL A 50 -8.484 -2.824 -6.417 1.00 0.00 C ATOM 0 H VAL A 50 -7.636 -0.491 -8.233 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.217 -2.803 -9.169 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.681 -1.087 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.163 -2.935 -6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.677 -2.198 -7.563 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.827 -3.761 -7.567 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.793 -2.965 -5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.326 -3.796 -6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.556 -2.253 -6.444 1.00 0.00 H new ATOM 754 N SER A 51 -10.895 -1.285 -10.271 1.00 0.00 N ATOM 755 CA SER A 51 -11.803 -0.394 -10.973 1.00 0.00 C ATOM 756 C SER A 51 -13.220 -0.543 -10.432 1.00 0.00 C ATOM 757 CB SER A 51 -11.761 -0.686 -12.474 1.00 0.00 C ATOM 758 OG SER A 51 -10.435 -0.583 -12.969 1.00 0.00 O ATOM 0 H SER A 51 -10.903 -2.249 -10.603 1.00 0.00 H new ATOM 0 HA SER A 51 -11.486 0.636 -10.810 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.149 -1.686 -12.666 1.00 0.00 H new ATOM 0 HB3 SER A 51 -12.407 0.014 -13.004 1.00 0.00 H new ATOM 0 HG SER A 51 -10.429 -0.775 -13.930 1.00 0.00 H new TER 764 SER A 51 HETATM 765 ZN ZN A 101 5.067 -4.583 5.299 1.00 0.00 ZN