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 Set 1.1: A 23 LYS NZ :NH3+ 180:sc= -0.0708 (180deg=0) USER MOD Set 1.2: A 45 TYR OH : rot -138:sc= 1.26 USER MOD Single : A 7 MET CE :methyl 154:sc= -0.366 (180deg=-1.26) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0384) USER MOD Single : A 25 GLN : amide:sc= 0.715 K(o=0.71,f=-7.1!) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 33 THR OG1 : rot -170:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -2.78! C(o=-2.8!,f=-5.5!) USER MOD Single : A 40 SER OG : rot 26:sc= -0.074 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 46 GLN : amide:sc= -1.52! C(o=-1.5!,f=-6.3!) USER MOD Single : A 47 SER OG : rot 19:sc= 0.364 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 -12.016 -0.376 -8.793 1.00 0.00 N ATOM 2 CA MET A 7 -11.572 0.807 -9.565 1.00 0.00 C ATOM 3 C MET A 7 -10.431 1.523 -8.844 1.00 0.00 C ATOM 4 O MET A 7 -9.757 2.381 -9.416 1.00 0.00 O ATOM 5 CB MET A 7 -12.752 1.764 -9.813 1.00 0.00 C ATOM 6 CG MET A 7 -13.460 2.264 -8.555 1.00 0.00 C ATOM 7 SD MET A 7 -12.512 3.493 -7.630 1.00 0.00 S ATOM 8 CE MET A 7 -12.242 4.741 -8.889 1.00 0.00 C ATOM 0 HA MET A 7 -11.201 0.468 -10.532 1.00 0.00 H new ATOM 0 HB2 MET A 7 -12.389 2.626 -10.373 1.00 0.00 H new ATOM 0 HB3 MET A 7 -13.482 1.258 -10.445 1.00 0.00 H new ATOM 0 HG2 MET A 7 -14.421 2.695 -8.836 1.00 0.00 H new ATOM 0 HG3 MET A 7 -13.670 1.415 -7.905 1.00 0.00 H new ATOM 0 HE1 MET A 7 -12.104 5.712 -8.415 1.00 0.00 H new ATOM 0 HE2 MET A 7 -11.352 4.489 -9.466 1.00 0.00 H new ATOM 0 HE3 MET A 7 -13.106 4.781 -9.553 1.00 0.00 H new ATOM 17 N GLU A 8 -10.226 1.164 -7.582 1.00 0.00 N ATOM 18 CA GLU A 8 -9.195 1.777 -6.762 1.00 0.00 C ATOM 19 C GLU A 8 -7.841 1.160 -7.076 1.00 0.00 C ATOM 20 O GLU A 8 -7.719 -0.061 -7.175 1.00 0.00 O ATOM 21 CB GLU A 8 -9.496 1.588 -5.266 1.00 0.00 C ATOM 22 CG GLU A 8 -10.974 1.657 -4.898 1.00 0.00 C ATOM 23 CD GLU A 8 -11.691 0.333 -5.109 1.00 0.00 C ATOM 24 OE1 GLU A 8 -11.727 -0.480 -4.168 1.00 0.00 O ATOM 25 OE2 GLU A 8 -12.211 0.100 -6.223 1.00 0.00 O ATOM 0 H GLU A 8 -10.767 0.444 -7.103 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.178 2.843 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.102 0.622 -4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.960 2.351 -4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.071 1.956 -3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.458 2.428 -5.497 1.00 0.00 H new ATOM 32 N ARG A 9 -6.834 1.992 -7.255 1.00 0.00 N ATOM 33 CA ARG A 9 -5.481 1.494 -7.405 1.00 0.00 C ATOM 34 C ARG A 9 -4.762 1.606 -6.070 1.00 0.00 C ATOM 35 O ARG A 9 -4.400 2.698 -5.633 1.00 0.00 O ATOM 36 CB ARG A 9 -4.721 2.253 -8.497 1.00 0.00 C ATOM 37 CG ARG A 9 -5.481 2.354 -9.811 1.00 0.00 C ATOM 38 CD ARG A 9 -4.541 2.511 -10.998 1.00 0.00 C ATOM 39 NE ARG A 9 -3.470 3.472 -10.743 1.00 0.00 N ATOM 40 CZ ARG A 9 -2.839 4.161 -11.689 1.00 0.00 C ATOM 41 NH1 ARG A 9 -3.221 4.066 -12.958 1.00 0.00 N ATOM 42 NH2 ARG A 9 -1.827 4.951 -11.357 1.00 0.00 N ATOM 0 H ARG A 9 -6.925 3.007 -7.300 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.522 0.449 -7.712 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.495 3.258 -8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.767 1.757 -8.676 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.092 1.462 -9.947 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.162 3.204 -9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.105 1.542 -11.242 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.112 2.832 -11.869 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.188 3.624 -9.775 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.003 3.462 -13.211 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.733 4.597 -13.679 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.538 5.027 -10.382 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.338 5.483 -12.077 1.00 0.00 H new ATOM 56 N VAL A 10 -4.568 0.470 -5.428 1.00 0.00 N ATOM 57 CA VAL A 10 -4.022 0.429 -4.083 1.00 0.00 C ATOM 58 C VAL A 10 -2.530 0.128 -4.120 1.00 0.00 C ATOM 59 O VAL A 10 -1.975 -0.115 -5.189 1.00 0.00 O ATOM 60 CB VAL A 10 -4.749 -0.632 -3.235 1.00 0.00 C ATOM 61 CG1 VAL A 10 -6.200 -0.227 -3.020 1.00 0.00 C ATOM 62 CG2 VAL A 10 -4.674 -2.001 -3.898 1.00 0.00 C ATOM 0 H VAL A 10 -4.783 -0.447 -5.821 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.173 1.407 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.253 -0.696 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.704 -0.984 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.237 0.731 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.700 -0.137 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.194 -2.733 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.144 -1.956 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.630 -2.295 -4.008 1.00 0.00 H new ATOM 72 N TYR A 11 -1.881 0.154 -2.961 1.00 0.00 N ATOM 73 CA TYR A 11 -0.444 -0.050 -2.896 1.00 0.00 C ATOM 74 C TYR A 11 -0.115 -1.155 -1.903 1.00 0.00 C ATOM 75 O TYR A 11 -0.547 -1.106 -0.753 1.00 0.00 O ATOM 76 CB TYR A 11 0.257 1.244 -2.474 1.00 0.00 C ATOM 77 CG TYR A 11 -0.220 2.480 -3.206 1.00 0.00 C ATOM 78 CD1 TYR A 11 0.161 2.735 -4.519 1.00 0.00 C ATOM 79 CD2 TYR A 11 -1.051 3.400 -2.576 1.00 0.00 C ATOM 80 CE1 TYR A 11 -0.273 3.868 -5.182 1.00 0.00 C ATOM 81 CE2 TYR A 11 -1.490 4.534 -3.232 1.00 0.00 C ATOM 82 CZ TYR A 11 -1.099 4.765 -4.535 1.00 0.00 C ATOM 83 OH TYR A 11 -1.532 5.898 -5.190 1.00 0.00 O ATOM 0 H TYR A 11 -2.328 0.314 -2.058 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.091 -0.341 -3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.110 1.391 -1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.329 1.132 -2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.807 2.036 -5.029 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.359 3.225 -1.556 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.033 4.050 -6.202 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.136 5.237 -2.727 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.106 6.422 -4.593 1.00 0.00 H new ATOM 93 N GLN A 12 0.632 -2.153 -2.349 1.00 0.00 N ATOM 94 CA GLN A 12 1.013 -3.265 -1.484 1.00 0.00 C ATOM 95 C GLN A 12 2.501 -3.207 -1.159 1.00 0.00 C ATOM 96 O GLN A 12 3.321 -2.868 -2.017 1.00 0.00 O ATOM 97 CB GLN A 12 0.670 -4.607 -2.145 1.00 0.00 C ATOM 98 CG GLN A 12 1.406 -4.860 -3.451 1.00 0.00 C ATOM 99 CD GLN A 12 1.047 -6.191 -4.079 1.00 0.00 C ATOM 100 OE1 GLN A 12 0.124 -6.283 -4.887 1.00 0.00 O ATOM 101 NE2 GLN A 12 1.773 -7.235 -3.708 1.00 0.00 N ATOM 0 H GLN A 12 0.987 -2.218 -3.303 1.00 0.00 H new ATOM 0 HA GLN A 12 0.449 -3.180 -0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.901 -5.413 -1.448 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.403 -4.644 -2.332 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.177 -4.059 -4.153 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.480 -4.827 -3.270 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.530 -7.116 -3.035 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.575 -8.158 -4.095 1.00 0.00 H new ATOM 110 N CYS A 13 2.848 -3.525 0.082 1.00 0.00 N ATOM 111 CA CYS A 13 4.243 -3.574 0.488 1.00 0.00 C ATOM 112 C CYS A 13 4.837 -4.917 0.050 1.00 0.00 C ATOM 113 O CYS A 13 4.242 -5.970 0.283 1.00 0.00 O ATOM 114 CB CYS A 13 4.370 -3.378 2.015 1.00 0.00 C ATOM 115 SG CYS A 13 4.095 -4.881 2.997 1.00 0.00 S ATOM 0 H CYS A 13 2.183 -3.752 0.821 1.00 0.00 H new ATOM 0 HA CYS A 13 4.796 -2.766 0.010 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.365 -2.992 2.237 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.656 -2.618 2.331 1.00 0.00 H new ATOM 120 N LEU A 14 6.000 -4.887 -0.592 1.00 0.00 N ATOM 121 CA LEU A 14 6.612 -6.105 -1.131 1.00 0.00 C ATOM 122 C LEU A 14 7.258 -6.960 -0.040 1.00 0.00 C ATOM 123 O LEU A 14 7.950 -7.936 -0.329 1.00 0.00 O ATOM 124 CB LEU A 14 7.651 -5.755 -2.199 1.00 0.00 C ATOM 125 CG LEU A 14 7.092 -5.085 -3.456 1.00 0.00 C ATOM 126 CD1 LEU A 14 8.212 -4.768 -4.436 1.00 0.00 C ATOM 127 CD2 LEU A 14 6.046 -5.973 -4.113 1.00 0.00 C ATOM 0 H LEU A 14 6.540 -4.037 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 14 5.811 -6.692 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.396 -5.095 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.169 -6.668 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 14 6.616 -4.149 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.795 -4.292 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.928 -4.094 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.717 -5.691 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.659 -5.481 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.499 -6.924 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.229 -6.151 -3.414 1.00 0.00 H new ATOM 139 N ARG A 15 7.023 -6.599 1.208 1.00 0.00 N ATOM 140 CA ARG A 15 7.553 -7.352 2.332 1.00 0.00 C ATOM 141 C ARG A 15 6.488 -8.275 2.921 1.00 0.00 C ATOM 142 O ARG A 15 6.685 -9.484 2.996 1.00 0.00 O ATOM 143 CB ARG A 15 8.088 -6.395 3.399 1.00 0.00 C ATOM 144 CG ARG A 15 8.113 -6.977 4.803 1.00 0.00 C ATOM 145 CD ARG A 15 9.176 -8.051 4.969 1.00 0.00 C ATOM 146 NE ARG A 15 9.031 -8.751 6.241 1.00 0.00 N ATOM 147 CZ ARG A 15 9.731 -8.471 7.342 1.00 0.00 C ATOM 148 NH1 ARG A 15 10.632 -7.494 7.342 1.00 0.00 N ATOM 149 NH2 ARG A 15 9.521 -9.167 8.448 1.00 0.00 N ATOM 0 H ARG A 15 6.466 -5.786 1.470 1.00 0.00 H new ATOM 0 HA ARG A 15 8.374 -7.974 1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.099 -6.092 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.475 -5.494 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.294 -6.177 5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.135 -7.399 5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.105 -8.765 4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.166 -7.598 4.912 1.00 0.00 H new ATOM 0 HE ARG A 15 8.347 -9.506 6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.794 -6.950 6.495 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.161 -7.289 8.189 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.826 -9.914 8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.054 -8.956 9.292 1.00 0.00 H new ATOM 163 N CYS A 16 5.357 -7.711 3.322 1.00 0.00 N ATOM 164 CA CYS A 16 4.332 -8.495 4.004 1.00 0.00 C ATOM 165 C CYS A 16 3.182 -8.811 3.055 1.00 0.00 C ATOM 166 O CYS A 16 2.361 -9.688 3.324 1.00 0.00 O ATOM 167 CB CYS A 16 3.793 -7.738 5.222 1.00 0.00 C ATOM 168 SG CYS A 16 5.019 -6.718 6.073 1.00 0.00 S ATOM 0 H CYS A 16 5.126 -6.726 3.190 1.00 0.00 H new ATOM 0 HA CYS A 16 4.789 -9.427 4.337 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.968 -7.101 4.902 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.384 -8.459 5.930 1.00 0.00 H new ATOM 173 N GLY A 17 3.124 -8.078 1.949 1.00 0.00 N ATOM 174 CA GLY A 17 2.032 -8.231 1.009 1.00 0.00 C ATOM 175 C GLY A 17 0.841 -7.378 1.394 1.00 0.00 C ATOM 176 O GLY A 17 -0.187 -7.393 0.718 1.00 0.00 O ATOM 0 H GLY A 17 3.818 -7.378 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.370 -7.955 0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.732 -9.278 0.966 1.00 0.00 H new ATOM 180 N LEU A 18 0.989 -6.622 2.478 1.00 0.00 N ATOM 181 CA LEU A 18 -0.100 -5.790 2.980 1.00 0.00 C ATOM 182 C LEU A 18 -0.418 -4.674 1.993 1.00 0.00 C ATOM 183 O LEU A 18 0.469 -3.912 1.603 1.00 0.00 O ATOM 184 CB LEU A 18 0.254 -5.202 4.347 1.00 0.00 C ATOM 185 CG LEU A 18 0.514 -6.230 5.450 1.00 0.00 C ATOM 186 CD1 LEU A 18 0.820 -5.531 6.765 1.00 0.00 C ATOM 187 CD2 LEU A 18 -0.681 -7.159 5.605 1.00 0.00 C ATOM 0 H LEU A 18 1.849 -6.568 3.024 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.983 -6.418 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.141 -4.578 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.558 -4.549 4.665 1.00 0.00 H new ATOM 0 HG LEU A 18 1.380 -6.829 5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.003 -6.276 7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.705 -4.906 6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.028 -4.909 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.479 -7.884 6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.564 -6.576 5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.858 -7.684 4.666 1.00 0.00 H new ATOM 199 N THR A 19 -1.675 -4.599 1.580 1.00 0.00 N ATOM 200 CA THR A 19 -2.100 -3.615 0.599 1.00 0.00 C ATOM 201 C THR A 19 -2.968 -2.532 1.244 1.00 0.00 C ATOM 202 O THR A 19 -3.829 -2.822 2.075 1.00 0.00 O ATOM 203 CB THR A 19 -2.879 -4.294 -0.537 1.00 0.00 C ATOM 204 OG1 THR A 19 -2.416 -5.641 -0.703 1.00 0.00 O ATOM 205 CG2 THR A 19 -2.686 -3.545 -1.836 1.00 0.00 C ATOM 0 H THR A 19 -2.420 -5.211 1.912 1.00 0.00 H new ATOM 0 HA THR A 19 -1.206 -3.144 0.191 1.00 0.00 H new ATOM 0 HB THR A 19 -3.938 -4.292 -0.277 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.916 -6.072 -1.427 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.246 -4.041 -2.629 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.046 -2.522 -1.723 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.627 -3.531 -2.094 1.00 0.00 H new ATOM 213 N PHE A 20 -2.734 -1.286 0.856 1.00 0.00 N ATOM 214 CA PHE A 20 -3.433 -0.145 1.443 1.00 0.00 C ATOM 215 C PHE A 20 -4.107 0.678 0.357 1.00 0.00 C ATOM 216 O PHE A 20 -3.603 0.777 -0.762 1.00 0.00 O ATOM 217 CB PHE A 20 -2.451 0.753 2.201 1.00 0.00 C ATOM 218 CG PHE A 20 -1.383 -0.004 2.928 1.00 0.00 C ATOM 219 CD1 PHE A 20 -1.568 -0.433 4.231 1.00 0.00 C ATOM 220 CD2 PHE A 20 -0.190 -0.291 2.291 1.00 0.00 C ATOM 221 CE1 PHE A 20 -0.578 -1.140 4.882 1.00 0.00 C ATOM 222 CE2 PHE A 20 0.800 -0.993 2.934 1.00 0.00 C ATOM 223 CZ PHE A 20 0.608 -1.420 4.231 1.00 0.00 C ATOM 0 H PHE A 20 -2.061 -1.036 0.132 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.184 -0.530 2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.982 1.440 1.496 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.005 1.360 2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.494 -0.213 4.742 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.035 0.041 1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.730 -1.474 5.898 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.727 -1.210 2.425 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.385 -1.973 4.738 1.00 0.00 H new ATOM 233 N ARG A 21 -5.245 1.268 0.700 1.00 0.00 N ATOM 234 CA ARG A 21 -5.991 2.110 -0.230 1.00 0.00 C ATOM 235 C ARG A 21 -5.449 3.531 -0.225 1.00 0.00 C ATOM 236 O ARG A 21 -5.537 4.243 -1.226 1.00 0.00 O ATOM 237 CB ARG A 21 -7.485 2.124 0.125 1.00 0.00 C ATOM 238 CG ARG A 21 -8.251 0.889 -0.345 1.00 0.00 C ATOM 239 CD ARG A 21 -7.755 -0.379 0.334 1.00 0.00 C ATOM 240 NE ARG A 21 -8.359 -1.590 -0.221 1.00 0.00 N ATOM 241 CZ ARG A 21 -7.938 -2.824 0.059 1.00 0.00 C ATOM 242 NH1 ARG A 21 -6.901 -3.005 0.872 1.00 0.00 N ATOM 243 NH2 ARG A 21 -8.552 -3.878 -0.471 1.00 0.00 N ATOM 0 H ARG A 21 -5.675 1.179 1.621 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.870 1.690 -1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.589 2.213 1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.943 3.011 -0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.313 1.020 -0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.147 0.787 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.671 -0.440 0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.974 -0.325 1.400 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.148 -1.485 -0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.427 -2.200 1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.579 -3.949 1.086 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.348 -3.744 -1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.227 -4.820 -0.254 1.00 0.00 H new ATOM 257 N THR A 22 -4.893 3.938 0.904 1.00 0.00 N ATOM 258 CA THR A 22 -4.373 5.282 1.057 1.00 0.00 C ATOM 259 C THR A 22 -2.846 5.267 1.133 1.00 0.00 C ATOM 260 O THR A 22 -2.251 4.464 1.854 1.00 0.00 O ATOM 261 CB THR A 22 -4.946 5.929 2.326 1.00 0.00 C ATOM 262 OG1 THR A 22 -6.144 5.244 2.724 1.00 0.00 O ATOM 263 CG2 THR A 22 -5.269 7.385 2.071 1.00 0.00 C ATOM 0 H THR A 22 -4.791 3.351 1.732 1.00 0.00 H new ATOM 0 HA THR A 22 -4.674 5.865 0.186 1.00 0.00 H new ATOM 0 HB THR A 22 -4.201 5.858 3.119 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.504 5.660 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.675 7.832 2.979 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.361 7.914 1.780 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.004 7.460 1.270 1.00 0.00 H new ATOM 271 N LYS A 23 -2.223 6.175 0.385 1.00 0.00 N ATOM 272 CA LYS A 23 -0.770 6.220 0.259 1.00 0.00 C ATOM 273 C LYS A 23 -0.095 6.577 1.583 1.00 0.00 C ATOM 274 O LYS A 23 1.003 6.109 1.859 1.00 0.00 O ATOM 275 CB LYS A 23 -0.361 7.228 -0.819 1.00 0.00 C ATOM 276 CG LYS A 23 1.129 7.217 -1.146 1.00 0.00 C ATOM 277 CD LYS A 23 1.512 8.379 -2.048 1.00 0.00 C ATOM 278 CE LYS A 23 3.005 8.398 -2.357 1.00 0.00 C ATOM 279 NZ LYS A 23 3.392 7.365 -3.356 1.00 0.00 N ATOM 0 H LYS A 23 -2.709 6.896 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.437 5.223 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.924 7.019 -1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.643 8.229 -0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.705 7.267 -0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.388 6.277 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.950 8.314 -2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.229 9.317 -1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.283 9.383 -2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.566 8.237 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.416 7.419 -3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.152 6.421 -2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.879 7.532 -4.245 1.00 0.00 H new ATOM 293 N LYS A 24 -0.741 7.402 2.399 1.00 0.00 N ATOM 294 CA LYS A 24 -0.159 7.799 3.682 1.00 0.00 C ATOM 295 C LYS A 24 -0.002 6.592 4.606 1.00 0.00 C ATOM 296 O LYS A 24 1.006 6.458 5.303 1.00 0.00 O ATOM 297 CB LYS A 24 -1.007 8.877 4.364 1.00 0.00 C ATOM 298 CG LYS A 24 -1.035 10.201 3.618 1.00 0.00 C ATOM 299 CD LYS A 24 -1.776 11.272 4.406 1.00 0.00 C ATOM 300 CE LYS A 24 -3.225 10.885 4.671 1.00 0.00 C ATOM 301 NZ LYS A 24 -4.024 10.792 3.419 1.00 0.00 N ATOM 0 H LYS A 24 -1.656 7.806 2.202 1.00 0.00 H new ATOM 0 HA LYS A 24 0.828 8.215 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.028 8.509 4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.622 9.046 5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.015 10.532 3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.515 10.063 2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.267 11.442 5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.747 12.212 3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.254 9.927 5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.679 11.620 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.023 10.627 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.937 11.680 2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.671 10.004 2.839 1.00 0.00 H new ATOM 315 N GLN A 25 -0.994 5.710 4.595 1.00 0.00 N ATOM 316 CA GLN A 25 -0.937 4.485 5.390 1.00 0.00 C ATOM 317 C GLN A 25 0.151 3.570 4.853 1.00 0.00 C ATOM 318 O GLN A 25 0.810 2.854 5.609 1.00 0.00 O ATOM 319 CB GLN A 25 -2.291 3.769 5.378 1.00 0.00 C ATOM 320 CG GLN A 25 -3.412 4.601 5.975 1.00 0.00 C ATOM 321 CD GLN A 25 -3.153 4.972 7.424 1.00 0.00 C ATOM 322 OE1 GLN A 25 -2.529 5.992 7.713 1.00 0.00 O ATOM 323 NE2 GLN A 25 -3.633 4.152 8.342 1.00 0.00 N ATOM 0 H GLN A 25 -1.847 5.818 4.046 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.701 4.749 6.421 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.548 3.508 4.351 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.206 2.834 5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.538 5.510 5.387 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.348 4.046 5.907 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.145 3.316 8.061 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.491 4.355 9.331 1.00 0.00 H new ATOM 332 N LEU A 26 0.338 3.616 3.540 1.00 0.00 N ATOM 333 CA LEU A 26 1.407 2.887 2.886 1.00 0.00 C ATOM 334 C LEU A 26 2.755 3.359 3.410 1.00 0.00 C ATOM 335 O LEU A 26 3.577 2.558 3.850 1.00 0.00 O ATOM 336 CB LEU A 26 1.334 3.109 1.375 1.00 0.00 C ATOM 337 CG LEU A 26 2.546 2.618 0.581 1.00 0.00 C ATOM 338 CD1 LEU A 26 2.491 1.113 0.388 1.00 0.00 C ATOM 339 CD2 LEU A 26 2.628 3.339 -0.754 1.00 0.00 C ATOM 0 H LEU A 26 -0.247 4.159 2.904 1.00 0.00 H new ATOM 0 HA LEU A 26 1.295 1.824 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.444 2.608 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.205 4.175 1.187 1.00 0.00 H new ATOM 0 HG LEU A 26 3.448 2.846 1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.363 0.787 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.486 0.621 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.584 0.849 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.495 2.980 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.723 3.144 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.725 4.411 -0.583 1.00 0.00 H new ATOM 351 N ILE A 27 2.957 4.675 3.387 1.00 0.00 N ATOM 352 CA ILE A 27 4.223 5.261 3.804 1.00 0.00 C ATOM 353 C ILE A 27 4.512 4.922 5.256 1.00 0.00 C ATOM 354 O ILE A 27 5.613 4.497 5.584 1.00 0.00 O ATOM 355 CB ILE A 27 4.248 6.799 3.631 1.00 0.00 C ATOM 356 CG1 ILE A 27 3.787 7.208 2.228 1.00 0.00 C ATOM 357 CG2 ILE A 27 5.640 7.347 3.909 1.00 0.00 C ATOM 358 CD1 ILE A 27 4.338 6.343 1.119 1.00 0.00 C ATOM 0 H ILE A 27 2.258 5.353 3.083 1.00 0.00 H new ATOM 0 HA ILE A 27 4.991 4.835 3.158 1.00 0.00 H new ATOM 0 HB ILE A 27 3.552 7.226 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.698 7.176 2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.082 8.242 2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.637 8.430 3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.930 7.102 4.931 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.352 6.902 3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.964 6.699 0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.427 6.393 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.022 5.311 1.271 1.00 0.00 H new ATOM 370 N ARG A 28 3.504 5.091 6.111 1.00 0.00 N ATOM 371 CA ARG A 28 3.628 4.792 7.538 1.00 0.00 C ATOM 372 C ARG A 28 4.183 3.391 7.773 1.00 0.00 C ATOM 373 O ARG A 28 5.096 3.197 8.581 1.00 0.00 O ATOM 374 CB ARG A 28 2.268 4.926 8.228 1.00 0.00 C ATOM 375 CG ARG A 28 1.896 6.355 8.581 1.00 0.00 C ATOM 376 CD ARG A 28 0.491 6.434 9.161 1.00 0.00 C ATOM 377 NE ARG A 28 0.311 7.625 9.991 1.00 0.00 N ATOM 378 CZ ARG A 28 -0.870 8.183 10.264 1.00 0.00 C ATOM 379 NH1 ARG A 28 -1.975 7.751 9.671 1.00 0.00 N ATOM 380 NH2 ARG A 28 -0.939 9.197 11.116 1.00 0.00 N ATOM 0 H ARG A 28 2.584 5.437 5.837 1.00 0.00 H new ATOM 0 HA ARG A 28 4.328 5.512 7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.499 4.511 7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.273 4.327 9.138 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.612 6.752 9.301 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.960 6.980 7.690 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.237 6.443 8.350 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.293 5.543 9.757 1.00 0.00 H new ATOM 0 HE ARG A 28 1.145 8.058 10.388 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.927 6.985 8.999 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.873 8.185 9.887 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.091 9.548 11.561 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.840 9.626 11.327 1.00 0.00 H new ATOM 394 N HIS A 29 3.634 2.423 7.065 1.00 0.00 N ATOM 395 CA HIS A 29 4.047 1.038 7.220 1.00 0.00 C ATOM 396 C HIS A 29 5.413 0.801 6.573 1.00 0.00 C ATOM 397 O HIS A 29 6.288 0.163 7.165 1.00 0.00 O ATOM 398 CB HIS A 29 2.977 0.124 6.621 1.00 0.00 C ATOM 399 CG HIS A 29 3.315 -1.333 6.658 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.623 -2.033 7.805 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.385 -2.224 5.645 1.00 0.00 C ATOM 402 CE1 HIS A 29 3.869 -3.304 7.453 1.00 0.00 C ATOM 403 NE2 HIS A 29 3.732 -3.465 6.149 1.00 0.00 N ATOM 0 H HIS A 29 2.898 2.569 6.374 1.00 0.00 H new ATOM 0 HA HIS A 29 4.152 0.807 8.280 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.041 0.281 7.157 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.804 0.418 5.586 1.00 0.00 H new ATOM 0 HD1 HIS A 29 3.658 -1.653 8.751 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.199 -2.002 4.604 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.142 -4.089 8.142 1.00 0.00 H new ATOM 411 N LEU A 30 5.584 1.310 5.358 1.00 0.00 N ATOM 412 CA LEU A 30 6.860 1.252 4.654 1.00 0.00 C ATOM 413 C LEU A 30 8.029 1.788 5.493 1.00 0.00 C ATOM 414 O LEU A 30 9.057 1.124 5.611 1.00 0.00 O ATOM 415 CB LEU A 30 6.753 2.000 3.319 1.00 0.00 C ATOM 416 CG LEU A 30 6.329 1.147 2.108 1.00 0.00 C ATOM 417 CD1 LEU A 30 7.491 0.298 1.620 1.00 0.00 C ATOM 418 CD2 LEU A 30 5.147 0.253 2.452 1.00 0.00 C ATOM 0 H LEU A 30 4.843 1.774 4.833 1.00 0.00 H new ATOM 0 HA LEU A 30 7.080 0.201 4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.037 2.814 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.719 2.455 3.100 1.00 0.00 H new ATOM 0 HG LEU A 30 6.027 1.829 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.172 -0.297 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.316 0.946 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.819 -0.364 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.870 -0.337 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.421 -0.415 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.301 0.869 2.756 1.00 0.00 H new ATOM 430 N VAL A 31 7.875 2.965 6.087 1.00 0.00 N ATOM 431 CA VAL A 31 8.961 3.571 6.837 1.00 0.00 C ATOM 432 C VAL A 31 9.274 2.816 8.128 1.00 0.00 C ATOM 433 O VAL A 31 10.422 2.464 8.389 1.00 0.00 O ATOM 434 CB VAL A 31 8.685 5.049 7.167 1.00 0.00 C ATOM 435 CG1 VAL A 31 8.765 5.904 5.913 1.00 0.00 C ATOM 436 CG2 VAL A 31 7.343 5.238 7.850 1.00 0.00 C ATOM 0 H VAL A 31 7.015 3.513 6.063 1.00 0.00 H new ATOM 0 HA VAL A 31 9.831 3.512 6.183 1.00 0.00 H new ATOM 0 HB VAL A 31 9.457 5.372 7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.567 6.945 6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.761 5.821 5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.024 5.561 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.190 6.296 8.065 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.548 4.882 7.195 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.326 4.673 8.782 1.00 0.00 H new ATOM 446 N ASN A 32 8.258 2.577 8.935 1.00 0.00 N ATOM 447 CA ASN A 32 8.454 1.940 10.235 1.00 0.00 C ATOM 448 C ASN A 32 8.796 0.456 10.105 1.00 0.00 C ATOM 449 O ASN A 32 9.866 0.023 10.530 1.00 0.00 O ATOM 450 CB ASN A 32 7.212 2.093 11.110 1.00 0.00 C ATOM 451 CG ASN A 32 7.438 1.586 12.525 1.00 0.00 C ATOM 452 OD1 ASN A 32 8.529 1.717 13.083 1.00 0.00 O ATOM 453 ND2 ASN A 32 6.415 0.990 13.110 1.00 0.00 N ATOM 0 H ASN A 32 7.289 2.811 8.720 1.00 0.00 H new ATOM 0 HA ASN A 32 9.298 2.447 10.703 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.922 3.143 11.145 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.383 1.548 10.659 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.513 0.620 14.055 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.527 0.900 12.617 1.00 0.00 H new ATOM 460 N THR A 33 7.899 -0.320 9.507 1.00 0.00 N ATOM 461 CA THR A 33 8.041 -1.769 9.497 1.00 0.00 C ATOM 462 C THR A 33 9.024 -2.238 8.426 1.00 0.00 C ATOM 463 O THR A 33 9.923 -3.032 8.705 1.00 0.00 O ATOM 464 CB THR A 33 6.678 -2.454 9.283 1.00 0.00 C ATOM 465 OG1 THR A 33 5.707 -1.885 10.176 1.00 0.00 O ATOM 466 CG2 THR A 33 6.777 -3.955 9.526 1.00 0.00 C ATOM 0 H THR A 33 7.070 0.029 9.025 1.00 0.00 H new ATOM 0 HA THR A 33 8.437 -2.054 10.472 1.00 0.00 H new ATOM 0 HB THR A 33 6.370 -2.292 8.250 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.887 -2.422 10.153 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.801 -4.414 9.368 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.498 -4.389 8.834 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.102 -4.137 10.550 1.00 0.00 H new ATOM 474 N GLU A 34 8.873 -1.737 7.206 1.00 0.00 N ATOM 475 CA GLU A 34 9.745 -2.155 6.111 1.00 0.00 C ATOM 476 C GLU A 34 11.069 -1.388 6.183 1.00 0.00 C ATOM 477 O GLU A 34 11.983 -1.630 5.396 1.00 0.00 O ATOM 478 CB GLU A 34 9.081 -1.917 4.748 1.00 0.00 C ATOM 479 CG GLU A 34 7.556 -1.911 4.770 1.00 0.00 C ATOM 480 CD GLU A 34 6.917 -3.259 5.023 1.00 0.00 C ATOM 481 OE1 GLU A 34 6.624 -3.600 6.175 1.00 0.00 O ATOM 482 OE2 GLU A 34 6.592 -3.965 4.062 1.00 0.00 O ATOM 0 H GLU A 34 8.165 -1.049 6.950 1.00 0.00 H new ATOM 0 HA GLU A 34 9.932 -3.224 6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.428 -0.962 4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.417 -2.690 4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.221 -1.216 5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.195 -1.527 3.816 1.00 0.00 H new ATOM 489 N LYS A 35 11.127 -0.455 7.143 1.00 0.00 N ATOM 490 CA LYS A 35 12.305 0.375 7.450 1.00 0.00 C ATOM 491 C LYS A 35 12.938 1.028 6.219 1.00 0.00 C ATOM 492 O LYS A 35 14.155 1.233 6.175 1.00 0.00 O ATOM 493 CB LYS A 35 13.369 -0.397 8.253 1.00 0.00 C ATOM 494 CG LYS A 35 13.979 -1.597 7.543 1.00 0.00 C ATOM 495 CD LYS A 35 15.276 -2.033 8.202 1.00 0.00 C ATOM 496 CE LYS A 35 15.081 -2.379 9.667 1.00 0.00 C ATOM 497 NZ LYS A 35 16.378 -2.637 10.350 1.00 0.00 N ATOM 0 H LYS A 35 10.332 -0.249 7.747 1.00 0.00 H new ATOM 0 HA LYS A 35 11.919 1.183 8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.170 0.292 8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.919 -0.738 9.186 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.270 -2.425 7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.166 -1.347 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.677 -2.899 7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.014 -1.236 8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.562 -1.562 10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.444 -3.260 9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.204 -2.870 11.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.861 -3.433 9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.976 -1.788 10.292 1.00 0.00 H new ATOM 511 N VAL A 36 12.124 1.387 5.239 1.00 0.00 N ATOM 512 CA VAL A 36 12.623 2.066 4.069 1.00 0.00 C ATOM 513 C VAL A 36 12.481 3.577 4.212 1.00 0.00 C ATOM 514 O VAL A 36 11.527 4.077 4.810 1.00 0.00 O ATOM 515 CB VAL A 36 11.896 1.596 2.797 1.00 0.00 C ATOM 516 CG1 VAL A 36 12.130 0.116 2.564 1.00 0.00 C ATOM 517 CG2 VAL A 36 10.410 1.902 2.865 1.00 0.00 C ATOM 0 H VAL A 36 11.118 1.217 5.237 1.00 0.00 H new ATOM 0 HA VAL A 36 13.680 1.817 3.978 1.00 0.00 H new ATOM 0 HB VAL A 36 12.310 2.148 1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.608 -0.197 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.198 -0.070 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.753 -0.450 3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.925 1.558 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.972 1.391 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.264 2.977 2.970 1.00 0.00 H new ATOM 527 N ASN A 37 13.457 4.294 3.681 1.00 0.00 N ATOM 528 CA ASN A 37 13.427 5.751 3.661 1.00 0.00 C ATOM 529 C ASN A 37 12.316 6.210 2.718 1.00 0.00 C ATOM 530 O ASN A 37 12.125 5.616 1.661 1.00 0.00 O ATOM 531 CB ASN A 37 14.785 6.275 3.173 1.00 0.00 C ATOM 532 CG ASN A 37 14.998 7.755 3.443 1.00 0.00 C ATOM 533 OD1 ASN A 37 14.534 8.293 4.446 1.00 0.00 O ATOM 534 ND2 ASN A 37 15.708 8.421 2.547 1.00 0.00 N ATOM 0 H ASN A 37 14.289 3.888 3.253 1.00 0.00 H new ATOM 0 HA ASN A 37 13.234 6.139 4.661 1.00 0.00 H new ATOM 0 HB2 ASN A 37 15.580 5.708 3.658 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.872 6.093 2.102 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.887 9.417 2.676 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.076 7.939 1.727 1.00 0.00 H new ATOM 541 N PRO A 38 11.543 7.246 3.107 1.00 0.00 N ATOM 542 CA PRO A 38 10.438 7.791 2.296 1.00 0.00 C ATOM 543 C PRO A 38 10.827 8.137 0.858 1.00 0.00 C ATOM 544 O PRO A 38 9.962 8.259 -0.003 1.00 0.00 O ATOM 545 CB PRO A 38 10.040 9.063 3.044 1.00 0.00 C ATOM 546 CG PRO A 38 10.427 8.808 4.455 1.00 0.00 C ATOM 547 CD PRO A 38 11.653 7.940 4.403 1.00 0.00 C ATOM 0 HA PRO A 38 9.643 7.053 2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.556 9.936 2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.971 9.256 2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.633 9.742 4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.621 8.312 4.996 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.565 8.534 4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.678 7.234 5.233 1.00 0.00 H new ATOM 555 N LEU A 39 12.118 8.310 0.598 1.00 0.00 N ATOM 556 CA LEU A 39 12.592 8.596 -0.755 1.00 0.00 C ATOM 557 C LEU A 39 12.854 7.301 -1.524 1.00 0.00 C ATOM 558 O LEU A 39 13.177 7.322 -2.712 1.00 0.00 O ATOM 559 CB LEU A 39 13.866 9.455 -0.723 1.00 0.00 C ATOM 560 CG LEU A 39 13.674 10.929 -0.336 1.00 0.00 C ATOM 561 CD1 LEU A 39 12.589 11.570 -1.187 1.00 0.00 C ATOM 562 CD2 LEU A 39 13.357 11.077 1.146 1.00 0.00 C ATOM 0 H LEU A 39 12.854 8.258 1.302 1.00 0.00 H new ATOM 0 HA LEU A 39 11.810 9.156 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.567 9.004 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.332 9.416 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 39 14.613 11.449 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.468 12.614 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.872 11.516 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.648 11.041 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.227 12.132 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.439 10.536 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 39 14.177 10.669 1.736 1.00 0.00 H new ATOM 574 N SER A 40 12.700 6.179 -0.839 1.00 0.00 N ATOM 575 CA SER A 40 12.978 4.877 -1.420 1.00 0.00 C ATOM 576 C SER A 40 11.738 3.981 -1.363 1.00 0.00 C ATOM 577 O SER A 40 11.810 2.794 -1.677 1.00 0.00 O ATOM 578 CB SER A 40 14.144 4.217 -0.669 1.00 0.00 C ATOM 579 OG SER A 40 14.489 2.963 -1.233 1.00 0.00 O ATOM 0 H SER A 40 12.381 6.146 0.129 1.00 0.00 H new ATOM 0 HA SER A 40 13.252 5.011 -2.467 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.011 4.877 -0.692 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.873 4.083 0.378 1.00 0.00 H new ATOM 0 HG SER A 40 14.235 2.949 -2.179 1.00 0.00 H new ATOM 585 N ILE A 41 10.600 4.560 -0.985 1.00 0.00 N ATOM 586 CA ILE A 41 9.358 3.797 -0.835 1.00 0.00 C ATOM 587 C ILE A 41 8.958 3.103 -2.133 1.00 0.00 C ATOM 588 O ILE A 41 8.569 1.933 -2.126 1.00 0.00 O ATOM 589 CB ILE A 41 8.179 4.687 -0.373 1.00 0.00 C ATOM 590 CG1 ILE A 41 8.162 6.012 -1.150 1.00 0.00 C ATOM 591 CG2 ILE A 41 8.242 4.931 1.126 1.00 0.00 C ATOM 592 CD1 ILE A 41 6.994 6.917 -0.808 1.00 0.00 C ATOM 0 H ILE A 41 10.510 5.554 -0.777 1.00 0.00 H new ATOM 0 HA ILE A 41 9.564 3.048 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 41 7.249 4.161 -0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.091 6.547 -0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.138 5.794 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.404 5.559 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.190 3.978 1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.178 5.432 1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.056 7.830 -1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.059 6.404 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.027 7.168 0.252 1.00 0.00 H new ATOM 604 N ASP A 42 9.084 3.826 -3.243 1.00 0.00 N ATOM 605 CA ASP A 42 8.609 3.364 -4.548 1.00 0.00 C ATOM 606 C ASP A 42 9.234 2.039 -4.973 1.00 0.00 C ATOM 607 O ASP A 42 8.681 1.330 -5.807 1.00 0.00 O ATOM 608 CB ASP A 42 8.865 4.428 -5.619 1.00 0.00 C ATOM 609 CG ASP A 42 7.938 5.620 -5.478 1.00 0.00 C ATOM 610 OD1 ASP A 42 6.811 5.569 -6.010 1.00 0.00 O ATOM 611 OD2 ASP A 42 8.332 6.612 -4.831 1.00 0.00 O ATOM 0 H ASP A 42 9.518 4.749 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 42 7.537 3.195 -4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.899 4.765 -5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.736 3.985 -6.607 1.00 0.00 H new ATOM 616 N TYR A 43 10.380 1.705 -4.404 1.00 0.00 N ATOM 617 CA TYR A 43 11.085 0.487 -4.782 1.00 0.00 C ATOM 618 C TYR A 43 10.470 -0.743 -4.111 1.00 0.00 C ATOM 619 O TYR A 43 10.633 -1.864 -4.594 1.00 0.00 O ATOM 620 CB TYR A 43 12.565 0.589 -4.405 1.00 0.00 C ATOM 621 CG TYR A 43 13.287 1.773 -5.014 1.00 0.00 C ATOM 622 CD1 TYR A 43 13.304 3.004 -4.368 1.00 0.00 C ATOM 623 CD2 TYR A 43 13.960 1.659 -6.224 1.00 0.00 C ATOM 624 CE1 TYR A 43 13.966 4.086 -4.911 1.00 0.00 C ATOM 625 CE2 TYR A 43 14.629 2.738 -6.770 1.00 0.00 C ATOM 626 CZ TYR A 43 14.628 3.948 -6.110 1.00 0.00 C ATOM 627 OH TYR A 43 15.299 5.025 -6.644 1.00 0.00 O ATOM 0 H TYR A 43 10.842 2.256 -3.681 1.00 0.00 H new ATOM 0 HA TYR A 43 10.992 0.374 -5.862 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.647 0.648 -3.320 1.00 0.00 H new ATOM 0 HB3 TYR A 43 13.070 -0.326 -4.714 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.790 3.115 -3.425 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.960 0.713 -6.746 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.965 5.036 -4.398 1.00 0.00 H new ATOM 0 HE2 TYR A 43 15.150 2.634 -7.710 1.00 0.00 H new ATOM 0 HH TYR A 43 15.715 4.764 -7.492 1.00 0.00 H new ATOM 637 N TYR A 44 9.754 -0.533 -3.007 1.00 0.00 N ATOM 638 CA TYR A 44 9.291 -1.649 -2.182 1.00 0.00 C ATOM 639 C TYR A 44 7.776 -1.725 -2.116 1.00 0.00 C ATOM 640 O TYR A 44 7.223 -2.565 -1.406 1.00 0.00 O ATOM 641 CB TYR A 44 9.853 -1.534 -0.767 1.00 0.00 C ATOM 642 CG TYR A 44 11.348 -1.394 -0.749 1.00 0.00 C ATOM 643 CD1 TYR A 44 11.931 -0.157 -0.922 1.00 0.00 C ATOM 644 CD2 TYR A 44 12.175 -2.497 -0.588 1.00 0.00 C ATOM 645 CE1 TYR A 44 13.293 -0.007 -0.937 1.00 0.00 C ATOM 646 CE2 TYR A 44 13.547 -2.357 -0.595 1.00 0.00 C ATOM 647 CZ TYR A 44 14.102 -1.109 -0.771 1.00 0.00 C ATOM 648 OH TYR A 44 15.469 -0.960 -0.785 1.00 0.00 O ATOM 0 H TYR A 44 9.484 0.389 -2.665 1.00 0.00 H new ATOM 0 HA TYR A 44 9.654 -2.562 -2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.405 -0.673 -0.271 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.567 -2.416 -0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.302 0.712 -1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 44 11.739 -3.476 -0.456 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.730 0.971 -1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.182 -3.221 -0.463 1.00 0.00 H new ATOM 0 HH TYR A 44 15.895 -1.833 -0.654 1.00 0.00 H new ATOM 658 N TYR A 45 7.102 -0.844 -2.826 1.00 0.00 N ATOM 659 CA TYR A 45 5.648 -0.932 -2.903 1.00 0.00 C ATOM 660 C TYR A 45 5.183 -1.007 -4.352 1.00 0.00 C ATOM 661 O TYR A 45 5.795 -0.419 -5.244 1.00 0.00 O ATOM 662 CB TYR A 45 4.964 0.224 -2.143 1.00 0.00 C ATOM 663 CG TYR A 45 4.832 1.539 -2.896 1.00 0.00 C ATOM 664 CD1 TYR A 45 3.826 1.733 -3.838 1.00 0.00 C ATOM 665 CD2 TYR A 45 5.692 2.595 -2.638 1.00 0.00 C ATOM 666 CE1 TYR A 45 3.691 2.939 -4.501 1.00 0.00 C ATOM 667 CE2 TYR A 45 5.563 3.802 -3.299 1.00 0.00 C ATOM 668 CZ TYR A 45 4.562 3.967 -4.227 1.00 0.00 C ATOM 669 OH TYR A 45 4.432 5.171 -4.881 1.00 0.00 O ATOM 0 H TYR A 45 7.520 -0.074 -3.349 1.00 0.00 H new ATOM 0 HA TYR A 45 5.346 -1.856 -2.410 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.967 -0.103 -1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.523 0.409 -1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.139 0.928 -4.055 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.477 2.472 -1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.906 3.073 -5.230 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.245 4.612 -3.087 1.00 0.00 H new ATOM 0 HH TYR A 45 5.318 5.502 -5.136 1.00 0.00 H new ATOM 679 N GLN A 46 4.115 -1.756 -4.579 1.00 0.00 N ATOM 680 CA GLN A 46 3.545 -1.908 -5.909 1.00 0.00 C ATOM 681 C GLN A 46 2.081 -1.509 -5.904 1.00 0.00 C ATOM 682 O GLN A 46 1.349 -1.838 -4.970 1.00 0.00 O ATOM 683 CB GLN A 46 3.681 -3.353 -6.395 1.00 0.00 C ATOM 684 CG GLN A 46 5.089 -3.731 -6.824 1.00 0.00 C ATOM 685 CD GLN A 46 5.538 -3.010 -8.081 1.00 0.00 C ATOM 686 OE1 GLN A 46 5.131 -1.880 -8.353 1.00 0.00 O ATOM 687 NE2 GLN A 46 6.372 -3.666 -8.868 1.00 0.00 N ATOM 0 H GLN A 46 3.621 -2.273 -3.851 1.00 0.00 H new ATOM 0 HA GLN A 46 4.093 -1.255 -6.588 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.362 -4.025 -5.598 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.003 -3.509 -7.234 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.783 -3.505 -6.014 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.135 -4.807 -6.992 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.688 -4.601 -8.610 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.700 -3.238 -9.734 1.00 0.00 H new ATOM 696 N SER A 47 1.663 -0.787 -6.930 1.00 0.00 N ATOM 697 CA SER A 47 0.271 -0.410 -7.066 1.00 0.00 C ATOM 698 C SER A 47 -0.488 -1.490 -7.832 1.00 0.00 C ATOM 699 O SER A 47 -0.004 -2.002 -8.845 1.00 0.00 O ATOM 700 CB SER A 47 0.144 0.943 -7.778 1.00 0.00 C ATOM 701 OG SER A 47 -1.156 1.492 -7.610 1.00 0.00 O ATOM 0 H SER A 47 2.269 -0.452 -7.679 1.00 0.00 H new ATOM 0 HA SER A 47 -0.163 -0.312 -6.071 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.888 1.636 -7.384 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.355 0.819 -8.840 1.00 0.00 H new ATOM 0 HG SER A 47 -1.598 1.060 -6.849 1.00 0.00 H new ATOM 707 N PHE A 48 -1.662 -1.846 -7.332 1.00 0.00 N ATOM 708 CA PHE A 48 -2.482 -2.876 -7.951 1.00 0.00 C ATOM 709 C PHE A 48 -3.918 -2.383 -8.090 1.00 0.00 C ATOM 710 O PHE A 48 -4.433 -1.697 -7.206 1.00 0.00 O ATOM 711 CB PHE A 48 -2.438 -4.161 -7.113 1.00 0.00 C ATOM 712 CG PHE A 48 -3.127 -5.331 -7.757 1.00 0.00 C ATOM 713 CD1 PHE A 48 -2.553 -5.971 -8.843 1.00 0.00 C ATOM 714 CD2 PHE A 48 -4.342 -5.793 -7.276 1.00 0.00 C ATOM 715 CE1 PHE A 48 -3.179 -7.049 -9.439 1.00 0.00 C ATOM 716 CE2 PHE A 48 -4.973 -6.871 -7.869 1.00 0.00 C ATOM 717 CZ PHE A 48 -4.390 -7.499 -8.952 1.00 0.00 C ATOM 0 H PHE A 48 -2.070 -1.433 -6.493 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.088 -3.095 -8.943 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.397 -4.424 -6.923 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.900 -3.968 -6.145 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.606 -5.624 -9.228 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.801 -5.306 -6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.721 -7.539 -10.285 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.920 -7.221 -7.486 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.881 -8.341 -9.417 1.00 0.00 H new ATOM 727 N SER A 49 -4.552 -2.724 -9.200 1.00 0.00 N ATOM 728 CA SER A 49 -5.913 -2.289 -9.465 1.00 0.00 C ATOM 729 C SER A 49 -6.922 -3.231 -8.813 1.00 0.00 C ATOM 730 O SER A 49 -6.863 -4.447 -9.003 1.00 0.00 O ATOM 731 CB SER A 49 -6.154 -2.244 -10.975 1.00 0.00 C ATOM 732 OG SER A 49 -5.116 -1.549 -11.644 1.00 0.00 O ATOM 0 H SER A 49 -4.144 -3.303 -9.934 1.00 0.00 H new ATOM 0 HA SER A 49 -6.046 -1.294 -9.041 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.223 -3.260 -11.364 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.109 -1.759 -11.178 1.00 0.00 H new ATOM 0 HG SER A 49 -5.297 -1.539 -12.607 1.00 0.00 H new ATOM 738 N VAL A 50 -7.839 -2.664 -8.043 1.00 0.00 N ATOM 739 CA VAL A 50 -8.918 -3.428 -7.433 1.00 0.00 C ATOM 740 C VAL A 50 -10.166 -3.318 -8.309 1.00 0.00 C ATOM 741 O VAL A 50 -10.242 -2.440 -9.170 1.00 0.00 O ATOM 742 CB VAL A 50 -9.224 -2.914 -6.001 1.00 0.00 C ATOM 743 CG1 VAL A 50 -10.230 -3.806 -5.288 1.00 0.00 C ATOM 744 CG2 VAL A 50 -7.948 -2.805 -5.182 1.00 0.00 C ATOM 0 H VAL A 50 -7.857 -1.668 -7.824 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.612 -4.471 -7.355 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.665 -1.922 -6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.419 -3.414 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.162 -3.826 -5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.830 -4.817 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.187 -2.443 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.477 -3.785 -5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.263 -2.108 -5.666 1.00 0.00 H new ATOM 754 N SER A 51 -11.140 -4.187 -8.094 1.00 0.00 N ATOM 755 CA SER A 51 -12.352 -4.174 -8.892 1.00 0.00 C ATOM 756 C SER A 51 -13.457 -3.424 -8.160 1.00 0.00 C ATOM 757 CB SER A 51 -12.793 -5.604 -9.207 1.00 0.00 C ATOM 758 OG SER A 51 -11.782 -6.299 -9.920 1.00 0.00 O ATOM 0 H SER A 51 -11.114 -4.909 -7.374 1.00 0.00 H new ATOM 0 HA SER A 51 -12.148 -3.660 -9.831 1.00 0.00 H new ATOM 0 HB2 SER A 51 -13.019 -6.132 -8.280 1.00 0.00 H new ATOM 0 HB3 SER A 51 -13.711 -5.585 -9.795 1.00 0.00 H new ATOM 0 HG SER A 51 -12.084 -7.212 -10.110 1.00 0.00 H new TER 764 SER A 51 HETATM 765 ZN ZN A 101 4.994 -4.622 5.116 1.00 0.00 ZN