USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 522 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 34 HIS HD1 : A 34 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 14 ASN : amide:sc= -7.78! C(o=-9.6!,f=-15!) USER MOD Set 1.2: A 72 ASN : amide:sc= -1.79 K(o=-9.6,f=-13) USER MOD Single : A 1 GLY N :NH3+ 169:sc= -0.0629 (180deg=-0.166) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -90:sc= 0.511 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.02) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -3.66! C(o=-3.7!,f=-17!) USER MOD Single : A 27 SER OG : rot 53:sc= 0.177 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -10.3! C(o=-10!,f=-18!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -8:sc= 1.15 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 120:sc= -1.09 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.22 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -100:sc= -1.34 USER MOD Single : A 68 LYS NZ :NH3+ -156:sc= 0.0778 (180deg=0.00646) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.190 11.665 14.149 1.00 0.00 N ATOM 2 CA GLY A 1 -8.256 12.608 13.563 1.00 0.00 C ATOM 3 C GLY A 1 -7.176 11.925 12.747 1.00 0.00 C ATOM 4 O GLY A 1 -6.109 12.494 12.517 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.791 12.156 14.841 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.786 11.257 13.401 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.663 10.905 14.625 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.800 13.306 12.927 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.792 13.195 14.356 1.00 0.00 H new ATOM 8 N SER A 2 -7.453 10.700 12.311 1.00 0.00 N ATOM 9 CA SER A 2 -6.495 9.936 11.521 1.00 0.00 C ATOM 10 C SER A 2 -6.266 10.592 10.163 1.00 0.00 C ATOM 11 O SER A 2 -6.853 11.628 9.854 1.00 0.00 O ATOM 12 CB SER A 2 -6.990 8.501 11.330 1.00 0.00 C ATOM 13 OG SER A 2 -6.631 7.687 12.434 1.00 0.00 O ATOM 0 H SER A 2 -8.332 10.216 12.491 1.00 0.00 H new ATOM 0 HA SER A 2 -5.548 9.918 12.061 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.073 8.499 11.210 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.567 8.086 10.415 1.00 0.00 H new ATOM 0 HG SER A 2 -6.960 6.775 12.289 1.00 0.00 H new ATOM 19 N SER A 3 -5.405 9.980 9.356 1.00 0.00 N ATOM 20 CA SER A 3 -5.092 10.505 8.032 1.00 0.00 C ATOM 21 C SER A 3 -5.214 9.414 6.972 1.00 0.00 C ATOM 22 O SER A 3 -4.956 8.242 7.240 1.00 0.00 O ATOM 23 CB SER A 3 -3.681 11.095 8.013 1.00 0.00 C ATOM 24 OG SER A 3 -3.513 12.049 9.048 1.00 0.00 O ATOM 0 H SER A 3 -4.912 9.120 9.596 1.00 0.00 H new ATOM 0 HA SER A 3 -5.810 11.293 7.802 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.948 10.296 8.128 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.493 11.564 7.047 1.00 0.00 H new ATOM 0 HG SER A 3 -2.603 12.410 9.015 1.00 0.00 H new ATOM 30 N GLY A 4 -5.609 9.811 5.766 1.00 0.00 N ATOM 31 CA GLY A 4 -5.759 8.856 4.683 1.00 0.00 C ATOM 32 C GLY A 4 -5.362 9.436 3.340 1.00 0.00 C ATOM 33 O GLY A 4 -4.238 9.238 2.878 1.00 0.00 O ATOM 0 H GLY A 4 -5.828 10.776 5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.149 7.977 4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.795 8.521 4.639 1.00 0.00 H new ATOM 37 N SER A 5 -6.287 10.152 2.710 1.00 0.00 N ATOM 38 CA SER A 5 -6.030 10.758 1.409 1.00 0.00 C ATOM 39 C SER A 5 -5.537 12.193 1.565 1.00 0.00 C ATOM 40 O SER A 5 -6.275 13.069 2.018 1.00 0.00 O ATOM 41 CB SER A 5 -7.297 10.733 0.552 1.00 0.00 C ATOM 42 OG SER A 5 -7.262 11.744 -0.441 1.00 0.00 O ATOM 0 H SER A 5 -7.222 10.327 3.079 1.00 0.00 H new ATOM 0 HA SER A 5 -5.252 10.177 0.913 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.400 9.757 0.078 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.172 10.873 1.187 1.00 0.00 H new ATOM 0 HG SER A 5 -8.082 11.706 -0.976 1.00 0.00 H new ATOM 48 N SER A 6 -4.285 12.427 1.188 1.00 0.00 N ATOM 49 CA SER A 6 -3.689 13.754 1.289 1.00 0.00 C ATOM 50 C SER A 6 -3.318 14.290 -0.090 1.00 0.00 C ATOM 51 O SER A 6 -3.085 15.486 -0.262 1.00 0.00 O ATOM 52 CB SER A 6 -2.450 13.714 2.184 1.00 0.00 C ATOM 53 OG SER A 6 -2.262 14.949 2.852 1.00 0.00 O ATOM 0 H SER A 6 -3.662 11.714 0.809 1.00 0.00 H new ATOM 0 HA SER A 6 -4.427 14.423 1.733 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.553 12.913 2.916 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.570 13.485 1.582 1.00 0.00 H new ATOM 0 HG SER A 6 -1.701 15.536 2.303 1.00 0.00 H new ATOM 59 N GLY A 7 -3.265 13.394 -1.071 1.00 0.00 N ATOM 60 CA GLY A 7 -2.921 13.795 -2.423 1.00 0.00 C ATOM 61 C GLY A 7 -1.433 13.696 -2.696 1.00 0.00 C ATOM 62 O GLY A 7 -1.021 13.294 -3.784 1.00 0.00 O ATOM 0 H GLY A 7 -3.454 12.399 -0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.460 13.168 -3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.250 14.821 -2.589 1.00 0.00 H new ATOM 66 N MET A 8 -0.626 14.065 -1.707 1.00 0.00 N ATOM 67 CA MET A 8 0.825 14.015 -1.847 1.00 0.00 C ATOM 68 C MET A 8 1.346 12.601 -1.615 1.00 0.00 C ATOM 69 O MET A 8 2.554 12.377 -1.555 1.00 0.00 O ATOM 70 CB MET A 8 1.487 14.983 -0.864 1.00 0.00 C ATOM 71 CG MET A 8 0.763 15.083 0.469 1.00 0.00 C ATOM 72 SD MET A 8 -0.320 16.522 0.565 1.00 0.00 S ATOM 73 CE MET A 8 0.873 17.824 0.866 1.00 0.00 C ATOM 0 H MET A 8 -0.951 14.402 -0.801 1.00 0.00 H new ATOM 0 HA MET A 8 1.077 14.313 -2.865 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.514 14.663 -0.688 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.535 15.973 -1.318 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.175 14.179 0.627 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.497 15.131 1.274 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.355 18.780 0.950 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.409 17.619 1.793 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.582 17.866 0.039 1.00 0.00 H new ATOM 83 N ALA A 9 0.426 11.650 -1.484 1.00 0.00 N ATOM 84 CA ALA A 9 0.793 10.258 -1.260 1.00 0.00 C ATOM 85 C ALA A 9 1.220 9.586 -2.561 1.00 0.00 C ATOM 86 O ALA A 9 0.380 9.159 -3.356 1.00 0.00 O ATOM 87 CB ALA A 9 -0.366 9.501 -0.629 1.00 0.00 C ATOM 0 H ALA A 9 -0.579 11.819 -1.529 1.00 0.00 H new ATOM 0 HA ALA A 9 1.641 10.238 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.077 8.462 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.623 9.959 0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.230 9.538 -1.293 1.00 0.00 H new ATOM 93 N LEU A 10 2.528 9.496 -2.774 1.00 0.00 N ATOM 94 CA LEU A 10 3.066 8.877 -3.981 1.00 0.00 C ATOM 95 C LEU A 10 3.040 7.356 -3.870 1.00 0.00 C ATOM 96 O LEU A 10 3.278 6.796 -2.799 1.00 0.00 O ATOM 97 CB LEU A 10 4.497 9.357 -4.229 1.00 0.00 C ATOM 98 CG LEU A 10 4.743 10.855 -4.048 1.00 0.00 C ATOM 99 CD1 LEU A 10 6.132 11.231 -4.542 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.679 11.662 -4.777 1.00 0.00 C ATOM 0 H LEU A 10 3.236 9.844 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 10 2.439 9.173 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.162 8.816 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.780 9.083 -5.245 1.00 0.00 H new ATOM 0 HG LEU A 10 4.682 11.088 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.290 12.301 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.882 10.679 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.221 10.983 -5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.870 12.726 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.708 11.425 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.696 11.414 -4.376 1.00 0.00 H new ATOM 112 N LEU A 11 2.750 6.692 -4.983 1.00 0.00 N ATOM 113 CA LEU A 11 2.694 5.234 -5.013 1.00 0.00 C ATOM 114 C LEU A 11 4.078 4.642 -5.258 1.00 0.00 C ATOM 115 O LEU A 11 4.696 4.889 -6.293 1.00 0.00 O ATOM 116 CB LEU A 11 1.725 4.763 -6.099 1.00 0.00 C ATOM 117 CG LEU A 11 1.630 3.251 -6.302 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.634 2.531 -4.962 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.380 2.897 -7.094 1.00 0.00 C ATOM 0 H LEU A 11 2.550 7.140 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 11 2.337 4.888 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.731 5.141 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.020 5.219 -7.044 1.00 0.00 H new ATOM 0 HG LEU A 11 2.501 2.925 -6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.566 1.456 -5.127 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.557 2.759 -4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.782 2.862 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.329 1.817 -7.229 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.503 3.237 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.417 3.383 -8.069 1.00 0.00 H new ATOM 131 N CYS A 12 4.557 3.856 -4.299 1.00 0.00 N ATOM 132 CA CYS A 12 5.867 3.226 -4.410 1.00 0.00 C ATOM 133 C CYS A 12 5.847 2.110 -5.451 1.00 0.00 C ATOM 134 O CYS A 12 4.901 1.325 -5.517 1.00 0.00 O ATOM 135 CB CYS A 12 6.304 2.667 -3.055 1.00 0.00 C ATOM 136 SG CYS A 12 8.068 2.221 -2.967 1.00 0.00 S ATOM 0 H CYS A 12 4.057 3.640 -3.436 1.00 0.00 H new ATOM 0 HA CYS A 12 6.582 3.985 -4.730 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.088 3.406 -2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.706 1.785 -2.828 1.00 0.00 H new ATOM 141 N TYR A 13 6.898 2.046 -6.261 1.00 0.00 N ATOM 142 CA TYR A 13 7.002 1.028 -7.300 1.00 0.00 C ATOM 143 C TYR A 13 8.215 0.133 -7.067 1.00 0.00 C ATOM 144 O TYR A 13 8.825 -0.364 -8.013 1.00 0.00 O ATOM 145 CB TYR A 13 7.094 1.684 -8.678 1.00 0.00 C ATOM 146 CG TYR A 13 5.821 2.381 -9.104 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.775 1.670 -9.678 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.665 3.751 -8.931 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.611 2.302 -10.069 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.504 4.392 -9.318 1.00 0.00 C ATOM 151 CZ TYR A 13 3.481 3.663 -9.887 1.00 0.00 C ATOM 152 OH TYR A 13 2.323 4.297 -10.274 1.00 0.00 O ATOM 0 H TYR A 13 7.690 2.687 -6.218 1.00 0.00 H new ATOM 0 HA TYR A 13 6.105 0.410 -7.259 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.910 2.407 -8.673 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.346 0.923 -9.417 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.874 0.604 -9.821 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.465 4.324 -8.486 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.808 1.734 -10.514 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.398 5.457 -9.176 1.00 0.00 H new ATOM 0 HH TYR A 13 2.392 5.254 -10.076 1.00 0.00 H new ATOM 162 N ASN A 14 8.561 -0.067 -5.799 1.00 0.00 N ATOM 163 CA ASN A 14 9.701 -0.902 -5.441 1.00 0.00 C ATOM 164 C ASN A 14 9.243 -2.290 -5.004 1.00 0.00 C ATOM 165 O ASN A 14 8.415 -2.427 -4.105 1.00 0.00 O ATOM 166 CB ASN A 14 10.508 -0.244 -4.320 1.00 0.00 C ATOM 167 CG ASN A 14 11.174 1.044 -4.766 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.767 1.109 -5.843 1.00 0.00 O ATOM 169 ND2 ASN A 14 11.076 2.078 -3.938 1.00 0.00 N ATOM 0 H ASN A 14 8.068 0.338 -5.003 1.00 0.00 H new ATOM 0 HA ASN A 14 10.333 -1.008 -6.323 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.850 -0.036 -3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.269 -0.940 -3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.502 2.971 -4.185 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.575 1.979 -3.055 1.00 0.00 H new ATOM 176 N ARG A 15 9.789 -3.317 -5.648 1.00 0.00 N ATOM 177 CA ARG A 15 9.436 -4.695 -5.327 1.00 0.00 C ATOM 178 C ARG A 15 9.424 -4.915 -3.817 1.00 0.00 C ATOM 179 O ARG A 15 10.424 -4.690 -3.138 1.00 0.00 O ATOM 180 CB ARG A 15 10.421 -5.662 -5.986 1.00 0.00 C ATOM 181 CG ARG A 15 10.795 -5.276 -7.408 1.00 0.00 C ATOM 182 CD ARG A 15 11.434 -6.439 -8.151 1.00 0.00 C ATOM 183 NE ARG A 15 11.653 -6.132 -9.562 1.00 0.00 N ATOM 184 CZ ARG A 15 10.692 -6.159 -10.478 1.00 0.00 C ATOM 185 NH1 ARG A 15 9.452 -6.476 -10.134 1.00 0.00 N ATOM 186 NH2 ARG A 15 10.970 -5.867 -11.743 1.00 0.00 N ATOM 0 H ARG A 15 10.477 -3.221 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 15 8.435 -4.887 -5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.327 -5.712 -5.382 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.986 -6.662 -5.992 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.904 -4.946 -7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.485 -4.433 -7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.386 -6.690 -7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.796 -7.318 -8.066 1.00 0.00 H new ATOM 0 HE ARG A 15 12.596 -5.883 -9.860 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.234 -6.700 -9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.716 -6.496 -10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.923 -5.622 -12.012 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.231 -5.888 -12.446 1.00 0.00 H new ATOM 200 N GLY A 16 8.283 -5.357 -3.298 1.00 0.00 N ATOM 201 CA GLY A 16 8.160 -5.600 -1.873 1.00 0.00 C ATOM 202 C GLY A 16 7.330 -4.541 -1.173 1.00 0.00 C ATOM 203 O GLY A 16 6.745 -4.797 -0.121 1.00 0.00 O ATOM 0 H GLY A 16 7.441 -5.551 -3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.706 -6.578 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.154 -5.632 -1.426 1.00 0.00 H new ATOM 207 N CYS A 17 7.281 -3.349 -1.757 1.00 0.00 N ATOM 208 CA CYS A 17 6.519 -2.247 -1.183 1.00 0.00 C ATOM 209 C CYS A 17 5.179 -2.083 -1.894 1.00 0.00 C ATOM 210 O CYS A 17 4.127 -2.383 -1.333 1.00 0.00 O ATOM 211 CB CYS A 17 7.318 -0.945 -1.273 1.00 0.00 C ATOM 212 SG CYS A 17 6.988 0.226 0.082 1.00 0.00 S ATOM 0 H CYS A 17 7.760 -3.121 -2.628 1.00 0.00 H new ATOM 0 HA CYS A 17 6.329 -2.478 -0.135 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.381 -1.184 -1.281 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.093 -0.458 -2.222 1.00 0.00 H new ATOM 217 N GLY A 18 5.227 -1.605 -3.134 1.00 0.00 N ATOM 218 CA GLY A 18 4.011 -1.410 -3.902 1.00 0.00 C ATOM 219 C GLY A 18 2.943 -0.674 -3.118 1.00 0.00 C ATOM 220 O GLY A 18 1.764 -0.719 -3.472 1.00 0.00 O ATOM 0 H GLY A 18 6.086 -1.349 -3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.243 -0.850 -4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.624 -2.379 -4.216 1.00 0.00 H new ATOM 224 N GLN A 19 3.354 0.003 -2.051 1.00 0.00 N ATOM 225 CA GLN A 19 2.422 0.750 -1.215 1.00 0.00 C ATOM 226 C GLN A 19 2.660 2.251 -1.340 1.00 0.00 C ATOM 227 O GLN A 19 3.726 2.685 -1.778 1.00 0.00 O ATOM 228 CB GLN A 19 2.558 0.319 0.247 1.00 0.00 C ATOM 229 CG GLN A 19 2.075 -1.097 0.512 1.00 0.00 C ATOM 230 CD GLN A 19 1.502 -1.267 1.905 1.00 0.00 C ATOM 231 OE1 GLN A 19 1.958 -2.112 2.677 1.00 0.00 O ATOM 232 NE2 GLN A 19 0.499 -0.463 2.236 1.00 0.00 N ATOM 0 H GLN A 19 4.326 0.050 -1.745 1.00 0.00 H new ATOM 0 HA GLN A 19 1.411 0.532 -1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.604 0.399 0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.994 1.009 0.874 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.316 -1.361 -0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.905 -1.791 0.377 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.152 0.223 1.565 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.075 -0.531 3.161 1.00 0.00 H new ATOM 241 N ARG A 20 1.662 3.038 -0.952 1.00 0.00 N ATOM 242 CA ARG A 20 1.764 4.491 -1.022 1.00 0.00 C ATOM 243 C ARG A 20 2.735 5.020 0.029 1.00 0.00 C ATOM 244 O ARG A 20 3.212 4.271 0.882 1.00 0.00 O ATOM 245 CB ARG A 20 0.387 5.129 -0.827 1.00 0.00 C ATOM 246 CG ARG A 20 -0.588 4.833 -1.955 1.00 0.00 C ATOM 247 CD ARG A 20 -0.436 5.827 -3.096 1.00 0.00 C ATOM 248 NE ARG A 20 -1.693 6.031 -3.813 1.00 0.00 N ATOM 249 CZ ARG A 20 -1.778 6.650 -4.985 1.00 0.00 C ATOM 250 NH1 ARG A 20 -0.686 7.124 -5.569 1.00 0.00 N ATOM 251 NH2 ARG A 20 -2.957 6.796 -5.576 1.00 0.00 N ATOM 0 H ARG A 20 0.774 2.694 -0.586 1.00 0.00 H new ATOM 0 HA ARG A 20 2.144 4.756 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.038 4.774 0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.506 6.209 -0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.421 3.822 -2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.609 4.868 -1.574 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.084 6.780 -2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.324 5.469 -3.790 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.552 5.679 -3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.222 7.014 -5.118 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.754 7.599 -6.469 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.799 6.433 -5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.021 7.272 -6.476 1.00 0.00 H new ATOM 265 N PHE A 21 3.026 6.314 -0.041 1.00 0.00 N ATOM 266 CA PHE A 21 3.943 6.943 0.904 1.00 0.00 C ATOM 267 C PHE A 21 3.918 8.462 0.756 1.00 0.00 C ATOM 268 O PHE A 21 3.401 8.992 -0.227 1.00 0.00 O ATOM 269 CB PHE A 21 5.365 6.422 0.691 1.00 0.00 C ATOM 270 CG PHE A 21 5.998 6.908 -0.582 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.823 6.214 -1.768 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.769 8.060 -0.591 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.403 6.660 -2.941 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.351 8.510 -1.761 1.00 0.00 C ATOM 275 CZ PHE A 21 7.169 7.808 -2.937 1.00 0.00 C ATOM 0 H PHE A 21 2.641 6.948 -0.741 1.00 0.00 H new ATOM 0 HA PHE A 21 3.618 6.688 1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.985 6.726 1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.347 5.332 0.685 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.226 5.314 -1.776 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.916 8.612 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.257 6.111 -3.859 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.948 9.410 -1.756 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.625 8.157 -3.852 1.00 0.00 H new ATOM 285 N ASP A 22 4.481 9.155 1.740 1.00 0.00 N ATOM 286 CA ASP A 22 4.524 10.613 1.720 1.00 0.00 C ATOM 287 C ASP A 22 5.957 11.111 1.566 1.00 0.00 C ATOM 288 O ASP A 22 6.852 10.751 2.331 1.00 0.00 O ATOM 289 CB ASP A 22 3.910 11.180 3.001 1.00 0.00 C ATOM 290 CG ASP A 22 2.530 10.614 3.280 1.00 0.00 C ATOM 291 OD1 ASP A 22 1.609 10.870 2.476 1.00 0.00 O ATOM 292 OD2 ASP A 22 2.372 9.916 4.303 1.00 0.00 O ATOM 0 H ASP A 22 4.914 8.731 2.561 1.00 0.00 H new ATOM 0 HA ASP A 22 3.944 10.958 0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.567 10.961 3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.845 12.265 2.920 1.00 0.00 H new ATOM 297 N PRO A 23 6.183 11.960 0.552 1.00 0.00 N ATOM 298 CA PRO A 23 7.507 12.526 0.273 1.00 0.00 C ATOM 299 C PRO A 23 7.945 13.526 1.337 1.00 0.00 C ATOM 300 O PRO A 23 9.117 13.576 1.708 1.00 0.00 O ATOM 301 CB PRO A 23 7.314 13.228 -1.074 1.00 0.00 C ATOM 302 CG PRO A 23 5.860 13.546 -1.132 1.00 0.00 C ATOM 303 CD PRO A 23 5.163 12.433 -0.399 1.00 0.00 C ATOM 0 HA PRO A 23 8.284 11.762 0.264 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.920 14.132 -1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.612 12.584 -1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.652 14.510 -0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.515 13.609 -2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.269 12.788 0.114 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.848 11.640 -1.078 1.00 0.00 H new ATOM 311 N GLU A 24 6.997 14.320 1.824 1.00 0.00 N ATOM 312 CA GLU A 24 7.287 15.319 2.845 1.00 0.00 C ATOM 313 C GLU A 24 7.991 14.685 4.042 1.00 0.00 C ATOM 314 O GLU A 24 8.575 15.380 4.874 1.00 0.00 O ATOM 315 CB GLU A 24 5.998 16.004 3.302 1.00 0.00 C ATOM 316 CG GLU A 24 4.828 15.049 3.472 1.00 0.00 C ATOM 317 CD GLU A 24 3.743 15.608 4.372 1.00 0.00 C ATOM 318 OE1 GLU A 24 3.740 16.835 4.604 1.00 0.00 O ATOM 319 OE2 GLU A 24 2.899 14.818 4.844 1.00 0.00 O ATOM 0 H GLU A 24 6.021 14.291 1.528 1.00 0.00 H new ATOM 0 HA GLU A 24 7.951 16.065 2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.182 16.511 4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.727 16.771 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.403 14.824 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.190 14.108 3.887 1.00 0.00 H new ATOM 326 N THR A 25 7.931 13.359 4.122 1.00 0.00 N ATOM 327 CA THR A 25 8.559 12.630 5.216 1.00 0.00 C ATOM 328 C THR A 25 9.484 11.538 4.690 1.00 0.00 C ATOM 329 O THR A 25 10.451 11.161 5.349 1.00 0.00 O ATOM 330 CB THR A 25 7.507 11.993 6.144 1.00 0.00 C ATOM 331 OG1 THR A 25 8.028 10.790 6.720 1.00 0.00 O ATOM 332 CG2 THR A 25 6.229 11.683 5.380 1.00 0.00 C ATOM 0 H THR A 25 7.453 12.768 3.441 1.00 0.00 H new ATOM 0 HA THR A 25 9.143 13.354 5.784 1.00 0.00 H new ATOM 0 HB THR A 25 7.274 12.704 6.936 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.355 10.391 7.310 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.501 11.234 6.056 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.820 12.605 4.966 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.449 10.988 4.570 1.00 0.00 H new ATOM 340 N ASN A 26 9.181 11.036 3.497 1.00 0.00 N ATOM 341 CA ASN A 26 9.986 9.987 2.882 1.00 0.00 C ATOM 342 C ASN A 26 11.465 10.180 3.201 1.00 0.00 C ATOM 343 O ASN A 26 11.983 11.295 3.144 1.00 0.00 O ATOM 344 CB ASN A 26 9.776 9.977 1.367 1.00 0.00 C ATOM 345 CG ASN A 26 10.571 8.883 0.680 1.00 0.00 C ATOM 346 OD1 ASN A 26 11.365 8.186 1.314 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.363 8.728 -0.622 1.00 0.00 N ATOM 0 H ASN A 26 8.384 11.339 2.937 1.00 0.00 H new ATOM 0 HA ASN A 26 9.666 9.029 3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.716 9.843 1.151 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.065 10.945 0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.870 8.009 -1.137 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.696 9.328 -1.107 1.00 0.00 H new ATOM 354 N SER A 27 12.140 9.085 3.536 1.00 0.00 N ATOM 355 CA SER A 27 13.559 9.133 3.867 1.00 0.00 C ATOM 356 C SER A 27 14.285 7.900 3.335 1.00 0.00 C ATOM 357 O SER A 27 13.672 7.021 2.727 1.00 0.00 O ATOM 358 CB SER A 27 13.748 9.235 5.382 1.00 0.00 C ATOM 359 OG SER A 27 12.862 10.188 5.943 1.00 0.00 O ATOM 0 H SER A 27 11.727 8.154 3.585 1.00 0.00 H new ATOM 0 HA SER A 27 13.986 10.017 3.394 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.576 8.261 5.840 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.777 9.515 5.605 1.00 0.00 H new ATOM 0 HG SER A 27 11.944 9.982 5.670 1.00 0.00 H new ATOM 365 N ASP A 28 15.590 7.843 3.567 1.00 0.00 N ATOM 366 CA ASP A 28 16.400 6.719 3.113 1.00 0.00 C ATOM 367 C ASP A 28 16.152 5.486 3.977 1.00 0.00 C ATOM 368 O ASP A 28 16.688 4.411 3.711 1.00 0.00 O ATOM 369 CB ASP A 28 17.885 7.086 3.142 1.00 0.00 C ATOM 370 CG ASP A 28 18.747 6.073 2.415 1.00 0.00 C ATOM 371 OD1 ASP A 28 19.176 5.090 3.055 1.00 0.00 O ATOM 372 OD2 ASP A 28 18.990 6.261 1.205 1.00 0.00 O ATOM 0 H ASP A 28 16.111 8.563 4.068 1.00 0.00 H new ATOM 0 HA ASP A 28 16.111 6.487 2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.022 8.068 2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.217 7.164 4.177 1.00 0.00 H new ATOM 377 N ASP A 29 15.334 5.650 5.011 1.00 0.00 N ATOM 378 CA ASP A 29 15.014 4.551 5.915 1.00 0.00 C ATOM 379 C ASP A 29 13.517 4.499 6.197 1.00 0.00 C ATOM 380 O ASP A 29 13.095 4.192 7.312 1.00 0.00 O ATOM 381 CB ASP A 29 15.788 4.699 7.226 1.00 0.00 C ATOM 382 CG ASP A 29 15.219 5.785 8.116 1.00 0.00 C ATOM 383 OD1 ASP A 29 14.505 6.667 7.593 1.00 0.00 O ATOM 384 OD2 ASP A 29 15.486 5.755 9.336 1.00 0.00 O ATOM 0 H ASP A 29 14.880 6.533 5.244 1.00 0.00 H new ATOM 0 HA ASP A 29 15.307 3.619 5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.774 3.750 7.762 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.831 4.924 7.005 1.00 0.00 H new ATOM 389 N ALA A 30 12.716 4.803 5.180 1.00 0.00 N ATOM 390 CA ALA A 30 11.265 4.789 5.319 1.00 0.00 C ATOM 391 C ALA A 30 10.629 3.808 4.340 1.00 0.00 C ATOM 392 O ALA A 30 9.457 3.454 4.473 1.00 0.00 O ATOM 393 CB ALA A 30 10.702 6.187 5.109 1.00 0.00 C ATOM 0 H ALA A 30 13.048 5.062 4.251 1.00 0.00 H new ATOM 0 HA ALA A 30 11.024 4.460 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.618 6.162 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.124 6.865 5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.960 6.537 4.110 1.00 0.00 H new ATOM 399 N CYS A 31 11.408 3.373 3.355 1.00 0.00 N ATOM 400 CA CYS A 31 10.921 2.434 2.352 1.00 0.00 C ATOM 401 C CYS A 31 11.698 1.121 2.414 1.00 0.00 C ATOM 402 O CYS A 31 12.920 1.102 2.275 1.00 0.00 O ATOM 403 CB CYS A 31 11.039 3.043 0.953 1.00 0.00 C ATOM 404 SG CYS A 31 10.535 1.921 -0.391 1.00 0.00 S ATOM 0 H CYS A 31 12.380 3.656 3.230 1.00 0.00 H new ATOM 0 HA CYS A 31 9.872 2.226 2.563 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.428 3.944 0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.072 3.350 0.788 1.00 0.00 H new ATOM 409 N THR A 32 10.976 0.024 2.624 1.00 0.00 N ATOM 410 CA THR A 32 11.595 -1.293 2.706 1.00 0.00 C ATOM 411 C THR A 32 11.219 -2.153 1.505 1.00 0.00 C ATOM 412 O THR A 32 10.155 -2.770 1.480 1.00 0.00 O ATOM 413 CB THR A 32 11.186 -2.027 3.997 1.00 0.00 C ATOM 414 OG1 THR A 32 10.976 -1.082 5.052 1.00 0.00 O ATOM 415 CG2 THR A 32 12.253 -3.029 4.412 1.00 0.00 C ATOM 0 H THR A 32 9.963 0.022 2.740 1.00 0.00 H new ATOM 0 HA THR A 32 12.673 -1.135 2.713 1.00 0.00 H new ATOM 0 HB THR A 32 10.259 -2.567 3.803 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.715 -1.556 5.869 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.941 -3.535 5.326 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.390 -3.764 3.619 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.193 -2.507 4.589 1.00 0.00 H new ATOM 423 N TYR A 33 12.099 -2.189 0.511 1.00 0.00 N ATOM 424 CA TYR A 33 11.858 -2.973 -0.695 1.00 0.00 C ATOM 425 C TYR A 33 12.990 -3.967 -0.934 1.00 0.00 C ATOM 426 O TYR A 33 13.908 -4.088 -0.122 1.00 0.00 O ATOM 427 CB TYR A 33 11.709 -2.051 -1.906 1.00 0.00 C ATOM 428 CG TYR A 33 12.924 -1.187 -2.163 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.170 -0.055 -1.396 1.00 0.00 C ATOM 430 CD2 TYR A 33 13.825 -1.503 -3.172 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.276 0.738 -1.627 1.00 0.00 C ATOM 432 CE2 TYR A 33 14.936 -0.717 -3.409 1.00 0.00 C ATOM 433 CZ TYR A 33 15.157 0.402 -2.634 1.00 0.00 C ATOM 434 OH TYR A 33 16.263 1.189 -2.869 1.00 0.00 O ATOM 0 H TYR A 33 12.986 -1.685 0.516 1.00 0.00 H new ATOM 0 HA TYR A 33 10.932 -3.532 -0.556 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.510 -2.656 -2.791 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.841 -1.408 -1.758 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.484 0.209 -0.605 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.654 -2.378 -3.782 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.451 1.616 -1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.627 -0.977 -4.197 1.00 0.00 H new ATOM 0 HH TYR A 33 16.781 0.813 -3.611 1.00 0.00 H new ATOM 444 N HIS A 34 12.920 -4.677 -2.056 1.00 0.00 N ATOM 445 CA HIS A 34 13.938 -5.660 -2.405 1.00 0.00 C ATOM 446 C HIS A 34 14.655 -5.267 -3.693 1.00 0.00 C ATOM 447 O HIS A 34 14.109 -5.372 -4.792 1.00 0.00 O ATOM 448 CB HIS A 34 13.309 -7.045 -2.559 1.00 0.00 C ATOM 449 CG HIS A 34 12.714 -7.576 -1.292 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.473 -8.046 -0.242 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.421 -7.709 -0.909 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.674 -8.447 0.732 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.424 -8.252 0.352 1.00 0.00 N ATOM 0 H HIS A 34 12.168 -4.589 -2.739 1.00 0.00 H new ATOM 0 HA HIS A 34 14.670 -5.690 -1.598 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.534 -7.000 -3.324 1.00 0.00 H new ATOM 0 HB3 HIS A 34 14.068 -7.742 -2.915 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.550 -7.438 -1.488 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.990 -8.863 1.677 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.595 -8.470 0.906 1.00 0.00 H new ATOM 461 N PRO A 35 15.906 -4.801 -3.558 1.00 0.00 N ATOM 462 CA PRO A 35 16.722 -4.383 -4.701 1.00 0.00 C ATOM 463 C PRO A 35 17.149 -5.560 -5.570 1.00 0.00 C ATOM 464 O PRO A 35 17.886 -5.393 -6.541 1.00 0.00 O ATOM 465 CB PRO A 35 17.942 -3.731 -4.045 1.00 0.00 C ATOM 466 CG PRO A 35 18.034 -4.366 -2.701 1.00 0.00 C ATOM 467 CD PRO A 35 16.618 -4.648 -2.279 1.00 0.00 C ATOM 0 HA PRO A 35 16.176 -3.720 -5.371 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.846 -3.906 -4.628 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.819 -2.651 -3.965 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.619 -5.285 -2.743 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.529 -3.705 -1.990 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.552 -5.551 -1.672 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.206 -3.833 -1.684 1.00 0.00 H new ATOM 475 N GLY A 36 16.681 -6.753 -5.215 1.00 0.00 N ATOM 476 CA GLY A 36 17.025 -7.941 -5.974 1.00 0.00 C ATOM 477 C GLY A 36 15.917 -8.370 -6.916 1.00 0.00 C ATOM 478 O GLY A 36 15.182 -7.534 -7.441 1.00 0.00 O ATOM 0 H GLY A 36 16.070 -6.918 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.932 -7.751 -6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.248 -8.756 -5.285 1.00 0.00 H new ATOM 482 N VAL A 37 15.799 -9.676 -7.131 1.00 0.00 N ATOM 483 CA VAL A 37 14.773 -10.214 -8.017 1.00 0.00 C ATOM 484 C VAL A 37 14.118 -11.450 -7.411 1.00 0.00 C ATOM 485 O VAL A 37 14.701 -12.151 -6.584 1.00 0.00 O ATOM 486 CB VAL A 37 15.356 -10.578 -9.395 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.259 -9.395 -10.346 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.798 -11.044 -9.256 1.00 0.00 C ATOM 0 H VAL A 37 16.400 -10.381 -6.704 1.00 0.00 H new ATOM 0 HA VAL A 37 14.022 -9.434 -8.144 1.00 0.00 H new ATOM 0 HB VAL A 37 14.771 -11.397 -9.813 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.676 -9.672 -11.314 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.214 -9.111 -10.469 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.818 -8.553 -9.937 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.195 -11.297 -10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.397 -10.246 -8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.836 -11.923 -8.612 1.00 0.00 H new ATOM 498 N PRO A 38 12.875 -11.727 -7.832 1.00 0.00 N ATOM 499 CA PRO A 38 12.111 -12.880 -7.345 1.00 0.00 C ATOM 500 C PRO A 38 12.681 -14.204 -7.845 1.00 0.00 C ATOM 501 O PRO A 38 12.775 -14.435 -9.050 1.00 0.00 O ATOM 502 CB PRO A 38 10.712 -12.649 -7.920 1.00 0.00 C ATOM 503 CG PRO A 38 10.934 -11.808 -9.130 1.00 0.00 C ATOM 504 CD PRO A 38 12.118 -10.935 -8.816 1.00 0.00 C ATOM 0 HA PRO A 38 12.132 -12.953 -6.258 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.229 -13.592 -8.176 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.066 -12.145 -7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.127 -12.428 -10.006 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.053 -11.206 -9.354 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.711 -10.727 -9.706 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.810 -9.973 -8.406 1.00 0.00 H new ATOM 512 N VAL A 39 13.059 -15.071 -6.911 1.00 0.00 N ATOM 513 CA VAL A 39 13.616 -16.373 -7.257 1.00 0.00 C ATOM 514 C VAL A 39 12.743 -17.504 -6.726 1.00 0.00 C ATOM 515 O VAL A 39 12.052 -17.349 -5.719 1.00 0.00 O ATOM 516 CB VAL A 39 15.043 -16.537 -6.701 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.200 -15.771 -5.396 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.373 -18.009 -6.507 1.00 0.00 C ATOM 0 H VAL A 39 12.990 -14.895 -5.909 1.00 0.00 H new ATOM 0 HA VAL A 39 13.649 -16.424 -8.345 1.00 0.00 H new ATOM 0 HB VAL A 39 15.745 -16.123 -7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.215 -15.899 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.009 -14.712 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.489 -16.152 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.385 -18.106 -6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.666 -18.451 -5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.304 -18.526 -7.464 1.00 0.00 H new ATOM 528 N PHE A 40 12.778 -18.642 -7.410 1.00 0.00 N ATOM 529 CA PHE A 40 11.990 -19.801 -7.008 1.00 0.00 C ATOM 530 C PHE A 40 12.814 -21.081 -7.105 1.00 0.00 C ATOM 531 O PHE A 40 12.927 -21.681 -8.175 1.00 0.00 O ATOM 532 CB PHE A 40 10.738 -19.920 -7.881 1.00 0.00 C ATOM 533 CG PHE A 40 10.254 -18.603 -8.418 1.00 0.00 C ATOM 534 CD1 PHE A 40 9.845 -17.598 -7.557 1.00 0.00 C ATOM 535 CD2 PHE A 40 10.208 -18.372 -9.783 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.399 -16.385 -8.048 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.764 -17.161 -10.279 1.00 0.00 C ATOM 538 CZ PHE A 40 9.358 -16.167 -9.411 1.00 0.00 C ATOM 0 H PHE A 40 13.344 -18.787 -8.246 1.00 0.00 H new ATOM 0 HA PHE A 40 11.690 -19.662 -5.969 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.949 -20.588 -8.716 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.941 -20.381 -7.298 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.875 -17.764 -6.490 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.522 -19.147 -10.467 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.083 -15.609 -7.367 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.735 -16.992 -11.345 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.009 -15.221 -9.797 1.00 0.00 H new ATOM 548 N HIS A 41 13.390 -21.493 -5.980 1.00 0.00 N ATOM 549 CA HIS A 41 14.205 -22.702 -5.937 1.00 0.00 C ATOM 550 C HIS A 41 13.653 -23.693 -4.917 1.00 0.00 C ATOM 551 O HIS A 41 13.382 -23.333 -3.771 1.00 0.00 O ATOM 552 CB HIS A 41 15.655 -22.354 -5.595 1.00 0.00 C ATOM 553 CG HIS A 41 15.793 -21.517 -4.360 1.00 0.00 C ATOM 554 ND1 HIS A 41 15.462 -21.973 -3.101 1.00 0.00 N ATOM 555 CD2 HIS A 41 16.233 -20.248 -4.196 1.00 0.00 C ATOM 556 CE1 HIS A 41 15.691 -21.019 -2.216 1.00 0.00 C ATOM 557 NE2 HIS A 41 16.160 -19.962 -2.855 1.00 0.00 N ATOM 0 H HIS A 41 13.308 -21.008 -5.087 1.00 0.00 H new ATOM 0 HA HIS A 41 14.174 -23.167 -6.923 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.221 -23.277 -5.464 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.101 -21.823 -6.436 1.00 0.00 H new ATOM 0 HD1 HIS A 41 15.098 -22.901 -2.887 1.00 0.00 H new ATOM 0 HD2 HIS A 41 16.577 -19.584 -4.975 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.523 -21.091 -1.152 1.00 0.00 H new ATOM 565 N ASP A 42 13.490 -24.942 -5.341 1.00 0.00 N ATOM 566 CA ASP A 42 12.972 -25.985 -4.464 1.00 0.00 C ATOM 567 C ASP A 42 11.633 -25.572 -3.861 1.00 0.00 C ATOM 568 O ASP A 42 11.356 -25.844 -2.693 1.00 0.00 O ATOM 569 CB ASP A 42 13.974 -26.291 -3.351 1.00 0.00 C ATOM 570 CG ASP A 42 15.405 -26.319 -3.852 1.00 0.00 C ATOM 571 OD1 ASP A 42 16.049 -25.249 -3.872 1.00 0.00 O ATOM 572 OD2 ASP A 42 15.882 -27.412 -4.223 1.00 0.00 O ATOM 0 H ASP A 42 13.709 -25.256 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 42 12.820 -26.884 -5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.881 -25.540 -2.566 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.731 -27.254 -2.901 1.00 0.00 H new ATOM 577 N ALA A 43 10.806 -24.911 -4.664 1.00 0.00 N ATOM 578 CA ALA A 43 9.497 -24.461 -4.210 1.00 0.00 C ATOM 579 C ALA A 43 9.625 -23.289 -3.243 1.00 0.00 C ATOM 580 O ALA A 43 8.623 -22.767 -2.748 1.00 0.00 O ATOM 581 CB ALA A 43 8.741 -25.608 -3.555 1.00 0.00 C ATOM 0 H ALA A 43 11.020 -24.675 -5.633 1.00 0.00 H new ATOM 0 HA ALA A 43 8.935 -24.121 -5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.765 -25.257 -3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.609 -26.415 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.307 -25.975 -2.699 1.00 0.00 H new ATOM 587 N LEU A 44 10.859 -22.880 -2.976 1.00 0.00 N ATOM 588 CA LEU A 44 11.118 -21.769 -2.066 1.00 0.00 C ATOM 589 C LEU A 44 11.227 -20.453 -2.831 1.00 0.00 C ATOM 590 O LEU A 44 12.244 -20.175 -3.467 1.00 0.00 O ATOM 591 CB LEU A 44 12.403 -22.021 -1.275 1.00 0.00 C ATOM 592 CG LEU A 44 12.642 -23.462 -0.825 1.00 0.00 C ATOM 593 CD1 LEU A 44 14.076 -23.643 -0.353 1.00 0.00 C ATOM 594 CD2 LEU A 44 11.664 -23.847 0.276 1.00 0.00 C ATOM 0 H LEU A 44 11.697 -23.301 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 44 10.280 -21.696 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.249 -21.707 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.393 -21.382 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 44 12.476 -24.120 -1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.227 -24.675 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.760 -23.410 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.270 -22.974 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.849 -24.876 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.798 -23.183 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.643 -23.758 -0.096 1.00 0.00 H new ATOM 606 N LYS A 45 10.174 -19.646 -2.763 1.00 0.00 N ATOM 607 CA LYS A 45 10.153 -18.358 -3.445 1.00 0.00 C ATOM 608 C LYS A 45 10.764 -17.268 -2.570 1.00 0.00 C ATOM 609 O LYS A 45 10.285 -17.002 -1.469 1.00 0.00 O ATOM 610 CB LYS A 45 8.717 -17.980 -3.820 1.00 0.00 C ATOM 611 CG LYS A 45 8.025 -19.012 -4.693 1.00 0.00 C ATOM 612 CD LYS A 45 6.526 -18.775 -4.756 1.00 0.00 C ATOM 613 CE LYS A 45 5.766 -20.071 -4.992 1.00 0.00 C ATOM 614 NZ LYS A 45 5.563 -20.339 -6.443 1.00 0.00 N ATOM 0 H LYS A 45 9.324 -19.861 -2.242 1.00 0.00 H new ATOM 0 HA LYS A 45 10.749 -18.447 -4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.137 -17.840 -2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.726 -17.023 -4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.442 -18.977 -5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.220 -20.010 -4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.189 -18.319 -3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.301 -18.070 -5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.313 -20.900 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.798 -20.020 -4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.041 -21.231 -6.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.019 -19.561 -6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.487 -20.413 -6.915 1.00 0.00 H new ATOM 628 N GLY A 46 11.824 -16.640 -3.069 1.00 0.00 N ATOM 629 CA GLY A 46 12.483 -15.586 -2.320 1.00 0.00 C ATOM 630 C GLY A 46 13.097 -14.532 -3.220 1.00 0.00 C ATOM 631 O GLY A 46 12.581 -14.253 -4.302 1.00 0.00 O ATOM 0 H GLY A 46 12.238 -16.842 -3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.762 -15.114 -1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.261 -16.022 -1.693 1.00 0.00 H new ATOM 635 N TRP A 47 14.201 -13.945 -2.772 1.00 0.00 N ATOM 636 CA TRP A 47 14.886 -12.915 -3.544 1.00 0.00 C ATOM 637 C TRP A 47 16.399 -13.064 -3.429 1.00 0.00 C ATOM 638 O TRP A 47 16.910 -13.535 -2.414 1.00 0.00 O ATOM 639 CB TRP A 47 14.460 -11.525 -3.068 1.00 0.00 C ATOM 640 CG TRP A 47 12.980 -11.300 -3.139 1.00 0.00 C ATOM 641 CD1 TRP A 47 12.038 -11.768 -2.269 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.274 -10.552 -4.135 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.788 -11.356 -2.664 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.906 -10.608 -3.805 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.665 -9.838 -5.271 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.929 -9.979 -4.573 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.694 -9.215 -6.032 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.340 -9.288 -5.680 1.00 0.00 C ATOM 0 H TRP A 47 14.641 -14.165 -1.878 1.00 0.00 H new ATOM 0 HA TRP A 47 14.607 -13.034 -4.591 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.793 -11.383 -2.040 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.964 -10.771 -3.673 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.245 -12.373 -1.399 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.914 -11.572 -2.185 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.707 -9.774 -5.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.884 -10.035 -4.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.984 -8.662 -6.913 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.606 -8.789 -6.295 1.00 0.00 H new ATOM 659 N SER A 48 17.111 -12.659 -4.477 1.00 0.00 N ATOM 660 CA SER A 48 18.566 -12.752 -4.494 1.00 0.00 C ATOM 661 C SER A 48 19.193 -11.599 -3.716 1.00 0.00 C ATOM 662 O SER A 48 20.399 -11.366 -3.793 1.00 0.00 O ATOM 663 CB SER A 48 19.080 -12.749 -5.935 1.00 0.00 C ATOM 664 OG SER A 48 20.490 -12.598 -5.973 1.00 0.00 O ATOM 0 H SER A 48 16.704 -12.264 -5.324 1.00 0.00 H new ATOM 0 HA SER A 48 18.852 -13.688 -4.015 1.00 0.00 H new ATOM 0 HB2 SER A 48 18.797 -13.679 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.609 -11.938 -6.491 1.00 0.00 H new ATOM 0 HG SER A 48 20.821 -12.392 -5.074 1.00 0.00 H new ATOM 670 N CYS A 49 18.365 -10.880 -2.966 1.00 0.00 N ATOM 671 CA CYS A 49 18.834 -9.751 -2.173 1.00 0.00 C ATOM 672 C CYS A 49 19.035 -10.156 -0.715 1.00 0.00 C ATOM 673 O CYS A 49 20.013 -9.761 -0.078 1.00 0.00 O ATOM 674 CB CYS A 49 17.840 -8.591 -2.259 1.00 0.00 C ATOM 675 SG CYS A 49 16.106 -9.077 -1.983 1.00 0.00 S ATOM 0 H CYS A 49 17.364 -11.060 -2.891 1.00 0.00 H new ATOM 0 HA CYS A 49 19.793 -9.429 -2.578 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.116 -7.835 -1.524 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.924 -8.126 -3.241 1.00 0.00 H new ATOM 680 N CYS A 50 18.104 -10.947 -0.193 1.00 0.00 N ATOM 681 CA CYS A 50 18.177 -11.407 1.189 1.00 0.00 C ATOM 682 C CYS A 50 18.118 -12.930 1.259 1.00 0.00 C ATOM 683 O CYS A 50 18.049 -13.608 0.234 1.00 0.00 O ATOM 684 CB CYS A 50 17.038 -10.803 2.010 1.00 0.00 C ATOM 685 SG CYS A 50 15.431 -10.782 1.150 1.00 0.00 S ATOM 0 H CYS A 50 17.289 -11.283 -0.706 1.00 0.00 H new ATOM 0 HA CYS A 50 19.129 -11.079 1.605 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.934 -11.366 2.937 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.304 -9.782 2.285 1.00 0.00 H new ATOM 690 N LYS A 51 18.147 -13.462 2.476 1.00 0.00 N ATOM 691 CA LYS A 51 18.096 -14.905 2.683 1.00 0.00 C ATOM 692 C LYS A 51 16.653 -15.385 2.806 1.00 0.00 C ATOM 693 O LYS A 51 16.340 -16.531 2.480 1.00 0.00 O ATOM 694 CB LYS A 51 18.882 -15.289 3.938 1.00 0.00 C ATOM 695 CG LYS A 51 20.222 -14.584 4.057 1.00 0.00 C ATOM 696 CD LYS A 51 21.078 -15.194 5.154 1.00 0.00 C ATOM 697 CE LYS A 51 20.229 -15.688 6.314 1.00 0.00 C ATOM 698 NZ LYS A 51 21.036 -15.882 7.550 1.00 0.00 N ATOM 0 H LYS A 51 18.206 -12.915 3.335 1.00 0.00 H new ATOM 0 HA LYS A 51 18.549 -15.388 1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.281 -15.059 4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.047 -16.366 3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.751 -14.644 3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.060 -13.527 4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.657 -16.023 4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.792 -14.453 5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 51 19.431 -14.972 6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.753 -16.629 6.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 20.420 -16.219 8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 21.782 -16.584 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 21.470 -14.978 7.827 1.00 0.00 H new ATOM 712 N ARG A 52 15.778 -14.503 3.278 1.00 0.00 N ATOM 713 CA ARG A 52 14.370 -14.837 3.443 1.00 0.00 C ATOM 714 C ARG A 52 13.898 -15.772 2.333 1.00 0.00 C ATOM 715 O ARG A 52 14.175 -15.542 1.155 1.00 0.00 O ATOM 716 CB ARG A 52 13.518 -13.566 3.450 1.00 0.00 C ATOM 717 CG ARG A 52 12.066 -13.808 3.825 1.00 0.00 C ATOM 718 CD ARG A 52 11.924 -14.179 5.293 1.00 0.00 C ATOM 719 NE ARG A 52 11.993 -15.623 5.501 1.00 0.00 N ATOM 720 CZ ARG A 52 12.349 -16.184 6.652 1.00 0.00 C ATOM 721 NH1 ARG A 52 12.667 -15.426 7.692 1.00 0.00 N ATOM 722 NH2 ARG A 52 12.389 -17.505 6.763 1.00 0.00 N ATOM 0 H ARG A 52 16.020 -13.551 3.553 1.00 0.00 H new ATOM 0 HA ARG A 52 14.255 -15.348 4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.951 -12.852 4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.558 -13.107 2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.481 -12.912 3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.657 -14.606 3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.711 -13.692 5.868 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.974 -13.803 5.672 1.00 0.00 H new ATOM 0 HE ARG A 52 11.755 -16.234 4.720 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.639 -14.410 7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.940 -15.859 8.574 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.146 -18.091 5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.662 -17.934 7.647 1.00 0.00 H new ATOM 736 N ARG A 53 13.184 -16.825 2.716 1.00 0.00 N ATOM 737 CA ARG A 53 12.677 -17.795 1.753 1.00 0.00 C ATOM 738 C ARG A 53 11.392 -18.443 2.260 1.00 0.00 C ATOM 739 O ARG A 53 11.337 -18.941 3.386 1.00 0.00 O ATOM 740 CB ARG A 53 13.729 -18.870 1.476 1.00 0.00 C ATOM 741 CG ARG A 53 13.686 -19.413 0.057 1.00 0.00 C ATOM 742 CD ARG A 53 14.523 -18.565 -0.889 1.00 0.00 C ATOM 743 NE ARG A 53 15.950 -18.657 -0.590 1.00 0.00 N ATOM 744 CZ ARG A 53 16.837 -17.738 -0.953 1.00 0.00 C ATOM 745 NH1 ARG A 53 16.446 -16.662 -1.623 1.00 0.00 N ATOM 746 NH2 ARG A 53 18.118 -17.893 -0.644 1.00 0.00 N ATOM 0 H ARG A 53 12.943 -17.028 3.686 1.00 0.00 H new ATOM 0 HA ARG A 53 12.456 -17.267 0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.719 -18.456 1.668 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.587 -19.694 2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.052 -20.440 0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.654 -19.439 -0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.346 -18.886 -1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.205 -17.525 -0.821 1.00 0.00 H new ATOM 0 HE ARG A 53 16.283 -19.472 -0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.462 -16.539 -1.861 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.130 -15.958 -1.901 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.422 -18.718 -0.127 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.799 -17.187 -0.923 1.00 0.00 H new ATOM 760 N THR A 54 10.359 -18.435 1.423 1.00 0.00 N ATOM 761 CA THR A 54 9.075 -19.020 1.786 1.00 0.00 C ATOM 762 C THR A 54 8.474 -19.794 0.619 1.00 0.00 C ATOM 763 O THR A 54 8.708 -19.466 -0.544 1.00 0.00 O ATOM 764 CB THR A 54 8.075 -17.941 2.242 1.00 0.00 C ATOM 765 OG1 THR A 54 6.885 -18.558 2.747 1.00 0.00 O ATOM 766 CG2 THR A 54 7.720 -17.011 1.091 1.00 0.00 C ATOM 0 H THR A 54 10.387 -18.029 0.488 1.00 0.00 H new ATOM 0 HA THR A 54 9.262 -19.704 2.614 1.00 0.00 H new ATOM 0 HB THR A 54 8.543 -17.354 3.032 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.754 -18.298 3.683 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.013 -16.257 1.437 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.623 -16.521 0.727 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.270 -17.588 0.283 1.00 0.00 H new ATOM 774 N THR A 55 7.695 -20.825 0.937 1.00 0.00 N ATOM 775 CA THR A 55 7.061 -21.646 -0.086 1.00 0.00 C ATOM 776 C THR A 55 5.650 -21.153 -0.390 1.00 0.00 C ATOM 777 O THR A 55 5.150 -21.320 -1.503 1.00 0.00 O ATOM 778 CB THR A 55 6.993 -23.124 0.343 1.00 0.00 C ATOM 779 OG1 THR A 55 6.234 -23.250 1.551 1.00 0.00 O ATOM 780 CG2 THR A 55 8.389 -23.690 0.553 1.00 0.00 C ATOM 0 H THR A 55 7.489 -21.110 1.894 1.00 0.00 H new ATOM 0 HA THR A 55 7.674 -21.563 -0.983 1.00 0.00 H new ATOM 0 HB THR A 55 6.505 -23.688 -0.452 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.194 -24.193 1.816 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.316 -24.735 0.855 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.954 -23.620 -0.377 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.899 -23.122 1.331 1.00 0.00 H new ATOM 788 N ASP A 56 5.014 -20.543 0.604 1.00 0.00 N ATOM 789 CA ASP A 56 3.662 -20.023 0.442 1.00 0.00 C ATOM 790 C ASP A 56 3.653 -18.811 -0.484 1.00 0.00 C ATOM 791 O ASP A 56 4.002 -17.703 -0.077 1.00 0.00 O ATOM 792 CB ASP A 56 3.071 -19.646 1.802 1.00 0.00 C ATOM 793 CG ASP A 56 1.560 -19.754 1.826 1.00 0.00 C ATOM 794 OD1 ASP A 56 0.968 -20.044 0.765 1.00 0.00 O ATOM 795 OD2 ASP A 56 0.967 -19.546 2.905 1.00 0.00 O ATOM 0 H ASP A 56 5.414 -20.397 1.531 1.00 0.00 H new ATOM 0 HA ASP A 56 3.050 -20.805 -0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.491 -20.295 2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.364 -18.626 2.052 1.00 0.00 H new ATOM 800 N PHE A 57 3.252 -19.030 -1.732 1.00 0.00 N ATOM 801 CA PHE A 57 3.200 -17.956 -2.718 1.00 0.00 C ATOM 802 C PHE A 57 2.778 -16.641 -2.067 1.00 0.00 C ATOM 803 O PHE A 57 3.191 -15.564 -2.498 1.00 0.00 O ATOM 804 CB PHE A 57 2.228 -18.315 -3.844 1.00 0.00 C ATOM 805 CG PHE A 57 2.010 -17.200 -4.826 1.00 0.00 C ATOM 806 CD1 PHE A 57 2.985 -16.878 -5.756 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.831 -16.474 -4.819 1.00 0.00 C ATOM 808 CE1 PHE A 57 2.787 -15.852 -6.661 1.00 0.00 C ATOM 809 CE2 PHE A 57 0.627 -15.447 -5.721 1.00 0.00 C ATOM 810 CZ PHE A 57 1.606 -15.136 -6.644 1.00 0.00 C ATOM 0 H PHE A 57 2.958 -19.941 -2.085 1.00 0.00 H new ATOM 0 HA PHE A 57 4.199 -17.831 -3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.607 -19.188 -4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.269 -18.598 -3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.910 -17.435 -5.774 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.061 -16.713 -4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.555 -15.610 -7.381 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.297 -14.888 -5.704 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.449 -14.335 -7.351 1.00 0.00 H new ATOM 820 N SER A 58 1.955 -16.739 -1.029 1.00 0.00 N ATOM 821 CA SER A 58 1.474 -15.558 -0.321 1.00 0.00 C ATOM 822 C SER A 58 2.587 -14.935 0.516 1.00 0.00 C ATOM 823 O SER A 58 2.872 -13.743 0.402 1.00 0.00 O ATOM 824 CB SER A 58 0.288 -15.923 0.575 1.00 0.00 C ATOM 825 OG SER A 58 0.680 -16.824 1.597 1.00 0.00 O ATOM 0 H SER A 58 1.607 -17.624 -0.659 1.00 0.00 H new ATOM 0 HA SER A 58 1.149 -14.827 -1.062 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.126 -15.019 1.022 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.502 -16.372 -0.027 1.00 0.00 H new ATOM 0 HG SER A 58 -0.095 -17.041 2.157 1.00 0.00 H new ATOM 831 N ASP A 59 3.212 -15.751 1.357 1.00 0.00 N ATOM 832 CA ASP A 59 4.295 -15.282 2.214 1.00 0.00 C ATOM 833 C ASP A 59 5.408 -14.648 1.385 1.00 0.00 C ATOM 834 O ASP A 59 6.064 -13.704 1.825 1.00 0.00 O ATOM 835 CB ASP A 59 4.856 -16.438 3.043 1.00 0.00 C ATOM 836 CG ASP A 59 3.886 -16.908 4.110 1.00 0.00 C ATOM 837 OD1 ASP A 59 2.736 -17.249 3.758 1.00 0.00 O ATOM 838 OD2 ASP A 59 4.276 -16.936 5.295 1.00 0.00 O ATOM 0 H ASP A 59 2.988 -16.740 1.464 1.00 0.00 H new ATOM 0 HA ASP A 59 3.891 -14.526 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.098 -17.271 2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.787 -16.125 3.515 1.00 0.00 H new ATOM 843 N PHE A 60 5.617 -15.175 0.183 1.00 0.00 N ATOM 844 CA PHE A 60 6.653 -14.663 -0.708 1.00 0.00 C ATOM 845 C PHE A 60 6.398 -13.198 -1.050 1.00 0.00 C ATOM 846 O PHE A 60 7.332 -12.398 -1.139 1.00 0.00 O ATOM 847 CB PHE A 60 6.710 -15.496 -1.990 1.00 0.00 C ATOM 848 CG PHE A 60 7.194 -14.725 -3.184 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.550 -14.537 -3.401 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.294 -14.187 -4.090 1.00 0.00 C ATOM 851 CE1 PHE A 60 9.000 -13.829 -4.500 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.738 -13.478 -5.190 1.00 0.00 C ATOM 853 CZ PHE A 60 8.092 -13.297 -5.395 1.00 0.00 C ATOM 0 H PHE A 60 5.083 -15.956 -0.197 1.00 0.00 H new ATOM 0 HA PHE A 60 7.611 -14.737 -0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.366 -16.351 -1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.717 -15.892 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.264 -14.949 -2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.234 -14.323 -3.935 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.059 -13.692 -4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.026 -13.065 -5.890 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.440 -12.741 -6.253 1.00 0.00 H new ATOM 863 N LEU A 61 5.130 -12.853 -1.243 1.00 0.00 N ATOM 864 CA LEU A 61 4.752 -11.484 -1.578 1.00 0.00 C ATOM 865 C LEU A 61 4.683 -10.617 -0.325 1.00 0.00 C ATOM 866 O LEU A 61 4.521 -9.400 -0.408 1.00 0.00 O ATOM 867 CB LEU A 61 3.403 -11.469 -2.298 1.00 0.00 C ATOM 868 CG LEU A 61 3.175 -12.581 -3.322 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.694 -12.902 -3.442 1.00 0.00 C ATOM 870 CD2 LEU A 61 3.748 -12.185 -4.675 1.00 0.00 C ATOM 0 H LEU A 61 4.346 -13.502 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 61 5.514 -11.073 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.613 -11.525 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.295 -10.509 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 61 3.692 -13.477 -2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.552 -13.696 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.313 -13.229 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.153 -12.011 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.577 -12.988 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.259 -11.276 -5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.819 -12.007 -4.579 1.00 0.00 H new ATOM 882 N SER A 62 4.811 -11.252 0.836 1.00 0.00 N ATOM 883 CA SER A 62 4.761 -10.539 2.107 1.00 0.00 C ATOM 884 C SER A 62 6.167 -10.234 2.614 1.00 0.00 C ATOM 885 O SER A 62 6.387 -9.240 3.307 1.00 0.00 O ATOM 886 CB SER A 62 3.998 -11.361 3.148 1.00 0.00 C ATOM 887 OG SER A 62 3.389 -10.522 4.114 1.00 0.00 O ATOM 0 H SER A 62 4.950 -12.259 0.922 1.00 0.00 H new ATOM 0 HA SER A 62 4.239 -9.596 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.236 -11.963 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.681 -12.053 3.641 1.00 0.00 H new ATOM 0 HG SER A 62 2.907 -11.071 4.767 1.00 0.00 H new ATOM 893 N ILE A 63 7.115 -11.097 2.264 1.00 0.00 N ATOM 894 CA ILE A 63 8.500 -10.920 2.682 1.00 0.00 C ATOM 895 C ILE A 63 8.868 -9.442 2.754 1.00 0.00 C ATOM 896 O ILE A 63 9.082 -8.794 1.729 1.00 0.00 O ATOM 897 CB ILE A 63 9.474 -11.634 1.725 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.312 -13.152 1.839 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.907 -11.224 2.024 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.892 -13.910 0.665 1.00 0.00 C ATOM 0 H ILE A 63 6.949 -11.925 1.692 1.00 0.00 H new ATOM 0 HA ILE A 63 8.589 -11.363 3.674 1.00 0.00 H new ATOM 0 HB ILE A 63 9.239 -11.338 0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.794 -13.493 2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.252 -13.391 1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.583 -11.737 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.011 -10.146 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.156 -11.494 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.742 -14.979 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.394 -13.597 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.959 -13.701 0.588 1.00 0.00 H new ATOM 912 N VAL A 64 8.944 -8.915 3.971 1.00 0.00 N ATOM 913 CA VAL A 64 9.290 -7.513 4.178 1.00 0.00 C ATOM 914 C VAL A 64 10.639 -7.182 3.548 1.00 0.00 C ATOM 915 O VAL A 64 11.604 -7.929 3.693 1.00 0.00 O ATOM 916 CB VAL A 64 9.337 -7.162 5.677 1.00 0.00 C ATOM 917 CG1 VAL A 64 10.132 -8.205 6.446 1.00 0.00 C ATOM 918 CG2 VAL A 64 9.925 -5.774 5.880 1.00 0.00 C ATOM 0 H VAL A 64 8.771 -9.437 4.830 1.00 0.00 H new ATOM 0 HA VAL A 64 8.512 -6.920 3.698 1.00 0.00 H new ATOM 0 HB VAL A 64 8.318 -7.160 6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.154 -7.939 7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.662 -9.181 6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.151 -8.243 6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.951 -5.542 6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.938 -5.745 5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.308 -5.039 5.363 1.00 0.00 H new ATOM 928 N GLY A 65 10.696 -6.053 2.846 1.00 0.00 N ATOM 929 CA GLY A 65 11.931 -5.641 2.204 1.00 0.00 C ATOM 930 C GLY A 65 13.133 -5.780 3.117 1.00 0.00 C ATOM 931 O GLY A 65 13.031 -5.572 4.326 1.00 0.00 O ATOM 0 H GLY A 65 9.910 -5.417 2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 65 12.088 -6.240 1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.841 -4.604 1.882 1.00 0.00 H new ATOM 935 N CYS A 66 14.275 -6.135 2.538 1.00 0.00 N ATOM 936 CA CYS A 66 15.502 -6.304 3.306 1.00 0.00 C ATOM 937 C CYS A 66 16.378 -5.058 3.214 1.00 0.00 C ATOM 938 O CYS A 66 17.340 -4.903 3.968 1.00 0.00 O ATOM 939 CB CYS A 66 16.278 -7.524 2.806 1.00 0.00 C ATOM 940 SG CYS A 66 16.828 -7.396 1.074 1.00 0.00 S ATOM 0 H CYS A 66 14.376 -6.311 1.538 1.00 0.00 H new ATOM 0 HA CYS A 66 15.229 -6.458 4.350 1.00 0.00 H new ATOM 0 HB2 CYS A 66 17.150 -7.673 3.443 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.651 -8.409 2.912 1.00 0.00 H new ATOM 945 N THR A 67 16.038 -4.170 2.284 1.00 0.00 N ATOM 946 CA THR A 67 16.793 -2.938 2.092 1.00 0.00 C ATOM 947 C THR A 67 15.990 -1.725 2.546 1.00 0.00 C ATOM 948 O THR A 67 14.773 -1.799 2.710 1.00 0.00 O ATOM 949 CB THR A 67 17.195 -2.750 0.616 1.00 0.00 C ATOM 950 OG1 THR A 67 18.007 -3.850 0.186 1.00 0.00 O ATOM 951 CG2 THR A 67 17.957 -1.447 0.425 1.00 0.00 C ATOM 0 H THR A 67 15.245 -4.281 1.652 1.00 0.00 H new ATOM 0 HA THR A 67 17.694 -3.022 2.699 1.00 0.00 H new ATOM 0 HB THR A 67 16.286 -2.713 0.016 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.951 -3.586 0.201 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.230 -1.336 -0.624 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.328 -0.610 0.727 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.860 -1.461 1.036 1.00 0.00 H new ATOM 959 N LYS A 68 16.680 -0.607 2.747 1.00 0.00 N ATOM 960 CA LYS A 68 16.031 0.625 3.181 1.00 0.00 C ATOM 961 C LYS A 68 16.365 1.777 2.239 1.00 0.00 C ATOM 962 O LYS A 68 17.483 1.872 1.731 1.00 0.00 O ATOM 963 CB LYS A 68 16.458 0.977 4.607 1.00 0.00 C ATOM 964 CG LYS A 68 15.670 0.242 5.678 1.00 0.00 C ATOM 965 CD LYS A 68 14.422 1.011 6.077 1.00 0.00 C ATOM 966 CE LYS A 68 13.649 0.289 7.169 1.00 0.00 C ATOM 967 NZ LYS A 68 12.380 0.993 7.509 1.00 0.00 N ATOM 0 H LYS A 68 17.689 -0.529 2.616 1.00 0.00 H new ATOM 0 HA LYS A 68 14.953 0.464 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.517 0.749 4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.344 2.051 4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.389 -0.745 5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.300 0.089 6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.702 2.006 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.782 1.146 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.425 -0.727 6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.270 0.209 8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.092 0.742 8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.526 2.021 7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.635 0.708 6.841 1.00 0.00 H new ATOM 981 N GLY A 69 15.391 2.653 2.012 1.00 0.00 N ATOM 982 CA GLY A 69 15.604 3.788 1.133 1.00 0.00 C ATOM 983 C GLY A 69 14.365 4.649 0.987 1.00 0.00 C ATOM 984 O GLY A 69 13.511 4.675 1.874 1.00 0.00 O ATOM 0 H GLY A 69 14.458 2.597 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.421 4.396 1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.912 3.430 0.151 1.00 0.00 H new ATOM 988 N ARG A 70 14.266 5.356 -0.134 1.00 0.00 N ATOM 989 CA ARG A 70 13.123 6.224 -0.391 1.00 0.00 C ATOM 990 C ARG A 70 12.178 5.592 -1.409 1.00 0.00 C ATOM 991 O ARG A 70 12.608 5.133 -2.468 1.00 0.00 O ATOM 992 CB ARG A 70 13.595 7.588 -0.896 1.00 0.00 C ATOM 993 CG ARG A 70 14.832 8.108 -0.180 1.00 0.00 C ATOM 994 CD ARG A 70 15.087 9.572 -0.502 1.00 0.00 C ATOM 995 NE ARG A 70 15.920 9.735 -1.690 1.00 0.00 N ATOM 996 CZ ARG A 70 16.042 10.881 -2.352 1.00 0.00 C ATOM 997 NH1 ARG A 70 15.387 11.959 -1.941 1.00 0.00 N ATOM 998 NH2 ARG A 70 16.819 10.949 -3.425 1.00 0.00 N ATOM 0 H ARG A 70 14.963 5.345 -0.878 1.00 0.00 H new ATOM 0 HA ARG A 70 12.583 6.358 0.546 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.806 7.518 -1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.787 8.310 -0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.709 7.987 0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.699 7.514 -0.470 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.135 10.081 -0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.572 10.051 0.349 1.00 0.00 H new ATOM 0 HE ARG A 70 16.437 8.924 -2.031 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.789 11.909 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.481 12.838 -2.450 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.323 10.121 -3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.912 11.829 -3.932 1.00 0.00 H new ATOM 1012 N HIS A 71 10.890 5.571 -1.081 1.00 0.00 N ATOM 1013 CA HIS A 71 9.885 4.995 -1.967 1.00 0.00 C ATOM 1014 C HIS A 71 10.067 5.499 -3.396 1.00 0.00 C ATOM 1015 O HIS A 71 10.260 6.692 -3.623 1.00 0.00 O ATOM 1016 CB HIS A 71 8.481 5.336 -1.469 1.00 0.00 C ATOM 1017 CG HIS A 71 8.193 4.824 -0.090 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.557 3.625 0.149 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.462 5.356 1.125 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.444 3.442 1.453 1.00 0.00 C ATOM 1021 NE2 HIS A 71 7.985 4.478 2.068 1.00 0.00 N ATOM 0 H HIS A 71 10.518 5.946 -0.208 1.00 0.00 H new ATOM 0 HA HIS A 71 10.011 3.912 -1.964 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.354 6.418 -1.480 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.748 4.922 -2.162 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.959 6.295 1.317 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.987 2.590 1.934 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.040 4.606 3.079 1.00 0.00 H new ATOM 1029 N ASN A 72 10.004 4.581 -4.354 1.00 0.00 N ATOM 1030 CA ASN A 72 10.164 4.932 -5.761 1.00 0.00 C ATOM 1031 C ASN A 72 8.818 5.278 -6.391 1.00 0.00 C ATOM 1032 O ASN A 72 7.983 4.402 -6.615 1.00 0.00 O ATOM 1033 CB ASN A 72 10.816 3.778 -6.526 1.00 0.00 C ATOM 1034 CG ASN A 72 12.321 3.742 -6.344 1.00 0.00 C ATOM 1035 OD1 ASN A 72 12.847 4.217 -5.337 1.00 0.00 O ATOM 1036 ND2 ASN A 72 13.021 3.176 -7.320 1.00 0.00 N ATOM 0 H ASN A 72 9.843 3.588 -4.183 1.00 0.00 H new ATOM 0 HA ASN A 72 10.810 5.808 -5.820 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.389 2.834 -6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.583 3.871 -7.587 1.00 0.00 H new ATOM 0 HD21 ASN A 72 14.037 3.122 -7.253 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.542 2.795 -8.136 1.00 0.00 H new ATOM 1043 N SER A 73 8.616 6.561 -6.674 1.00 0.00 N ATOM 1044 CA SER A 73 7.370 7.024 -7.276 1.00 0.00 C ATOM 1045 C SER A 73 7.391 6.823 -8.788 1.00 0.00 C ATOM 1046 O SER A 73 6.519 7.319 -9.501 1.00 0.00 O ATOM 1047 CB SER A 73 7.139 8.500 -6.948 1.00 0.00 C ATOM 1048 OG SER A 73 8.092 9.322 -7.601 1.00 0.00 O ATOM 0 H SER A 73 9.298 7.298 -6.496 1.00 0.00 H new ATOM 0 HA SER A 73 6.552 6.435 -6.860 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.134 8.791 -7.253 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.202 8.651 -5.870 1.00 0.00 H new ATOM 0 HG SER A 73 7.922 10.261 -7.377 1.00 0.00 H new ATOM 1054 N GLU A 74 8.391 6.092 -9.269 1.00 0.00 N ATOM 1055 CA GLU A 74 8.525 5.827 -10.696 1.00 0.00 C ATOM 1056 C GLU A 74 8.521 4.326 -10.973 1.00 0.00 C ATOM 1057 O GLU A 74 9.042 3.536 -10.186 1.00 0.00 O ATOM 1058 CB GLU A 74 9.813 6.452 -11.236 1.00 0.00 C ATOM 1059 CG GLU A 74 11.076 5.770 -10.738 1.00 0.00 C ATOM 1060 CD GLU A 74 12.260 5.991 -11.659 1.00 0.00 C ATOM 1061 OE1 GLU A 74 12.156 6.840 -12.568 1.00 0.00 O ATOM 1062 OE2 GLU A 74 13.292 5.313 -11.470 1.00 0.00 O ATOM 0 H GLU A 74 9.120 5.673 -8.692 1.00 0.00 H new ATOM 0 HA GLU A 74 7.671 6.276 -11.204 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.796 6.415 -12.325 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.843 7.504 -10.953 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.319 6.145 -9.744 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.892 4.700 -10.639 1.00 0.00 H new ATOM 1069 N LYS A 75 7.927 3.940 -12.098 1.00 0.00 N ATOM 1070 CA LYS A 75 7.854 2.535 -12.481 1.00 0.00 C ATOM 1071 C LYS A 75 9.134 2.096 -13.186 1.00 0.00 C ATOM 1072 O LYS A 75 9.235 0.936 -13.582 1.00 0.00 O ATOM 1073 CB LYS A 75 6.649 2.296 -13.393 1.00 0.00 C ATOM 1074 CG LYS A 75 5.368 1.984 -12.639 1.00 0.00 C ATOM 1075 CD LYS A 75 4.241 1.605 -13.586 1.00 0.00 C ATOM 1076 CE LYS A 75 3.799 2.792 -14.428 1.00 0.00 C ATOM 1077 NZ LYS A 75 2.563 2.491 -15.203 1.00 0.00 N ATOM 0 H LYS A 75 7.489 4.581 -12.760 1.00 0.00 H new ATOM 0 HA LYS A 75 7.738 1.942 -11.574 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.491 3.180 -14.011 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.873 1.471 -14.069 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.546 1.168 -11.939 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.072 2.851 -12.048 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.569 0.796 -14.239 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.394 1.228 -13.013 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.622 3.651 -13.781 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.600 3.069 -15.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.294 3.324 -15.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.739 1.687 -15.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.792 2.251 -14.548 1.00 0.00 H new TER 1091 LYS A 75 HETATM 1092 ZN ZN A 201 8.349 2.063 -0.590 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 15.243 -8.871 0.038 1.00 0.00 ZN