USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 399 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 52 HIS HE2 : A 52 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD Set 1.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 16:sc= 0.555 USER MOD Single : A 19 SER OG : rot 180:sc= -1.43 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -144:sc= -0.867 (180deg=-3.14!) USER MOD Single : A 30 LYS NZ :NH3+ -146:sc= -3.08! (180deg=-5.95!) USER MOD Single : A 31 THR OG1 : rot 67:sc= 0.355 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= -0.0644 (180deg=-0.322) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.742 K(o=-0.74,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -9.25! C(o=-9.3!,f=-6.6!) USER MOD Single : A 55 THR OG1 : rot 81:sc= 0.205 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -10.633 -5.256 10.640 1.00 0.00 N ATOM 2 CA THR A 14 -10.839 -4.772 9.244 1.00 0.00 C ATOM 3 C THR A 14 -12.137 -3.966 9.170 1.00 0.00 C ATOM 4 O THR A 14 -13.218 -4.496 9.334 1.00 0.00 O ATOM 5 CB THR A 14 -10.926 -5.970 8.296 1.00 0.00 C ATOM 6 OG1 THR A 14 -10.029 -6.982 8.733 1.00 0.00 O ATOM 7 CG2 THR A 14 -10.553 -5.531 6.880 1.00 0.00 C ATOM 0 HA THR A 14 -10.002 -4.139 8.952 1.00 0.00 H new ATOM 0 HB THR A 14 -11.944 -6.361 8.295 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.755 -6.800 9.656 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.615 -6.385 6.206 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.242 -4.755 6.547 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.536 -5.140 6.877 1.00 0.00 H new ATOM 17 N LEU A 15 -12.039 -2.689 8.924 1.00 0.00 N ATOM 18 CA LEU A 15 -13.265 -1.847 8.837 1.00 0.00 C ATOM 19 C LEU A 15 -12.877 -0.371 8.884 1.00 0.00 C ATOM 20 O LEU A 15 -13.257 0.393 8.019 1.00 0.00 O ATOM 21 CB LEU A 15 -14.201 -2.173 10.004 1.00 0.00 C ATOM 22 CG LEU A 15 -15.535 -2.690 9.460 1.00 0.00 C ATOM 23 CD1 LEU A 15 -16.009 -3.871 10.308 1.00 0.00 C ATOM 24 CD2 LEU A 15 -16.576 -1.570 9.518 1.00 0.00 C ATOM 0 H LEU A 15 -11.161 -2.191 8.779 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.778 -2.055 7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -13.745 -2.922 10.651 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -14.364 -1.283 10.612 1.00 0.00 H new ATOM 0 HG LEU A 15 -15.406 -3.014 8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.959 -4.239 9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.267 -4.669 10.268 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.139 -3.548 11.341 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -17.527 -1.937 9.131 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -16.705 -1.247 10.551 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -16.239 -0.728 8.914 1.00 0.00 H new ATOM 36 N PRO A 16 -12.133 -0.011 9.893 1.00 0.00 N ATOM 37 CA PRO A 16 -11.680 1.374 10.076 1.00 0.00 C ATOM 38 C PRO A 16 -10.483 1.668 9.165 1.00 0.00 C ATOM 39 O PRO A 16 -9.363 1.304 9.461 1.00 0.00 O ATOM 40 CB PRO A 16 -11.270 1.420 11.545 1.00 0.00 C ATOM 41 CG PRO A 16 -10.964 -0.037 11.964 1.00 0.00 C ATOM 42 CD PRO A 16 -11.676 -0.943 10.946 1.00 0.00 C ATOM 0 HA PRO A 16 -12.440 2.114 9.826 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.395 2.055 11.683 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.068 1.840 12.157 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.890 -0.223 11.964 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.322 -0.233 12.975 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.001 -1.699 10.544 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.513 -1.473 11.401 1.00 0.00 H new ATOM 50 N ARG A 17 -10.713 2.321 8.060 1.00 0.00 N ATOM 51 CA ARG A 17 -9.589 2.634 7.133 1.00 0.00 C ATOM 52 C ARG A 17 -10.078 3.585 6.039 1.00 0.00 C ATOM 53 O ARG A 17 -10.013 3.279 4.864 1.00 0.00 O ATOM 54 CB ARG A 17 -9.080 1.340 6.494 1.00 0.00 C ATOM 55 CG ARG A 17 -10.269 0.497 6.029 1.00 0.00 C ATOM 56 CD ARG A 17 -10.362 0.544 4.502 1.00 0.00 C ATOM 57 NE ARG A 17 -11.769 0.826 4.099 1.00 0.00 N ATOM 58 CZ ARG A 17 -12.223 0.380 2.960 1.00 0.00 C ATOM 59 NH1 ARG A 17 -11.969 1.029 1.857 1.00 0.00 N ATOM 60 NH2 ARG A 17 -12.932 -0.715 2.923 1.00 0.00 N ATOM 0 H ARG A 17 -11.630 2.651 7.759 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.780 3.107 7.690 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.431 1.570 5.649 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.481 0.779 7.212 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.152 -0.533 6.365 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.191 0.874 6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.699 1.315 4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.034 -0.405 4.078 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.377 1.368 4.714 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.415 1.885 1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.324 0.680 0.967 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.132 -1.223 3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.287 -1.063 2.032 1.00 0.00 H new ATOM 74 N GLY A 18 -10.567 4.735 6.412 1.00 0.00 N ATOM 75 CA GLY A 18 -11.059 5.702 5.390 1.00 0.00 C ATOM 76 C GLY A 18 -10.451 7.081 5.652 1.00 0.00 C ATOM 77 O GLY A 18 -11.143 8.078 5.684 1.00 0.00 O ATOM 0 H GLY A 18 -10.647 5.047 7.380 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.790 5.359 4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.147 5.761 5.425 1.00 0.00 H new ATOM 81 N SER A 19 -9.160 7.146 5.839 1.00 0.00 N ATOM 82 CA SER A 19 -8.512 8.462 6.097 1.00 0.00 C ATOM 83 C SER A 19 -7.018 8.365 5.783 1.00 0.00 C ATOM 84 O SER A 19 -6.441 9.249 5.181 1.00 0.00 O ATOM 85 CB SER A 19 -8.702 8.847 7.564 1.00 0.00 C ATOM 86 OG SER A 19 -8.187 7.812 8.392 1.00 0.00 O ATOM 0 H SER A 19 -8.528 6.346 5.824 1.00 0.00 H new ATOM 0 HA SER A 19 -8.968 9.222 5.462 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.190 9.786 7.775 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.759 9.006 7.776 1.00 0.00 H new ATOM 0 HG SER A 19 -8.306 8.057 9.334 1.00 0.00 H new ATOM 92 N ILE A 20 -6.389 7.298 6.185 1.00 0.00 N ATOM 93 CA ILE A 20 -4.933 7.141 5.909 1.00 0.00 C ATOM 94 C ILE A 20 -4.734 6.801 4.431 1.00 0.00 C ATOM 95 O ILE A 20 -3.698 7.070 3.856 1.00 0.00 O ATOM 96 CB ILE A 20 -4.365 6.016 6.781 1.00 0.00 C ATOM 97 CG1 ILE A 20 -4.202 6.518 8.218 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.000 5.580 6.243 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.515 7.141 8.695 1.00 0.00 C ATOM 0 H ILE A 20 -6.820 6.526 6.694 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.413 8.070 6.141 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.050 5.168 6.761 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.920 5.693 8.872 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.399 7.254 8.268 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.602 4.780 6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.110 5.221 5.220 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.315 6.428 6.259 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.398 7.498 9.718 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.778 7.977 8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.307 6.392 8.660 1.00 0.00 H new ATOM 111 N ASP A 21 -5.720 6.214 3.811 1.00 0.00 N ATOM 112 CA ASP A 21 -5.588 5.861 2.369 1.00 0.00 C ATOM 113 C ASP A 21 -5.712 7.128 1.522 1.00 0.00 C ATOM 114 O ASP A 21 -5.270 7.177 0.392 1.00 0.00 O ATOM 115 CB ASP A 21 -6.693 4.876 1.982 1.00 0.00 C ATOM 116 CG ASP A 21 -6.156 3.447 2.065 1.00 0.00 C ATOM 117 OD1 ASP A 21 -4.950 3.294 2.166 1.00 0.00 O ATOM 118 OD2 ASP A 21 -6.959 2.529 2.025 1.00 0.00 O ATOM 0 H ASP A 21 -6.611 5.964 4.240 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.615 5.401 2.194 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.548 4.993 2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.044 5.086 0.972 1.00 0.00 H new ATOM 123 N LYS A 22 -6.313 8.155 2.060 1.00 0.00 N ATOM 124 CA LYS A 22 -6.467 9.418 1.286 1.00 0.00 C ATOM 125 C LYS A 22 -5.231 10.297 1.488 1.00 0.00 C ATOM 126 O LYS A 22 -5.202 11.444 1.088 1.00 0.00 O ATOM 127 CB LYS A 22 -7.708 10.167 1.773 1.00 0.00 C ATOM 128 CG LYS A 22 -8.495 10.691 0.569 1.00 0.00 C ATOM 129 CD LYS A 22 -9.308 11.919 0.985 1.00 0.00 C ATOM 130 CE LYS A 22 -8.360 13.082 1.284 1.00 0.00 C ATOM 131 NZ LYS A 22 -9.094 14.371 1.139 1.00 0.00 N ATOM 0 H LYS A 22 -6.704 8.173 3.002 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.576 9.182 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.335 9.504 2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.416 10.996 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.812 10.951 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.159 9.914 0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.001 12.196 0.190 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.908 11.690 1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.961 12.990 2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.510 13.057 0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.450 15.162 1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.454 14.458 0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.891 14.394 1.806 1.00 0.00 H new ATOM 145 N TYR A 23 -4.208 9.772 2.104 1.00 0.00 N ATOM 146 CA TYR A 23 -2.977 10.582 2.327 1.00 0.00 C ATOM 147 C TYR A 23 -1.769 9.654 2.465 1.00 0.00 C ATOM 148 O TYR A 23 -0.838 9.935 3.193 1.00 0.00 O ATOM 149 CB TYR A 23 -3.134 11.410 3.604 1.00 0.00 C ATOM 150 CG TYR A 23 -3.910 12.667 3.295 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.484 13.517 2.268 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.056 12.982 4.035 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.205 14.683 1.980 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.776 14.148 3.747 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.351 14.998 2.720 1.00 0.00 C ATOM 156 OH TYR A 23 -6.061 16.147 2.437 1.00 0.00 O ATOM 0 H TYR A 23 -4.171 8.818 2.462 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.825 11.249 1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.652 10.828 4.366 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.154 11.665 4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.600 13.274 1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.385 12.326 4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.877 15.339 1.187 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.660 14.391 4.318 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.829 16.215 3.042 1.00 0.00 H new ATOM 166 N VAL A 24 -1.776 8.548 1.773 1.00 0.00 N ATOM 167 CA VAL A 24 -0.627 7.605 1.865 1.00 0.00 C ATOM 168 C VAL A 24 -0.027 7.396 0.471 1.00 0.00 C ATOM 169 O VAL A 24 -0.680 6.901 -0.427 1.00 0.00 O ATOM 170 CB VAL A 24 -1.116 6.266 2.422 1.00 0.00 C ATOM 171 CG1 VAL A 24 -1.923 5.527 1.352 1.00 0.00 C ATOM 172 CG2 VAL A 24 0.088 5.414 2.830 1.00 0.00 C ATOM 0 H VAL A 24 -2.528 8.257 1.148 1.00 0.00 H new ATOM 0 HA VAL A 24 0.135 8.017 2.527 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.748 6.446 3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.270 4.574 1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.781 6.132 1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.293 5.348 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.259 4.460 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.720 5.237 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.662 5.938 3.594 1.00 0.00 H new ATOM 182 N LYS A 25 1.208 7.773 0.279 1.00 0.00 N ATOM 183 CA LYS A 25 1.837 7.596 -1.061 1.00 0.00 C ATOM 184 C LYS A 25 2.809 6.415 -1.026 1.00 0.00 C ATOM 185 O LYS A 25 3.978 6.571 -0.735 1.00 0.00 O ATOM 186 CB LYS A 25 2.600 8.865 -1.442 1.00 0.00 C ATOM 187 CG LYS A 25 2.651 8.992 -2.966 1.00 0.00 C ATOM 188 CD LYS A 25 3.512 10.197 -3.351 1.00 0.00 C ATOM 189 CE LYS A 25 4.759 9.717 -4.095 1.00 0.00 C ATOM 190 NZ LYS A 25 4.590 9.954 -5.557 1.00 0.00 N ATOM 0 H LYS A 25 1.807 8.194 0.989 1.00 0.00 H new ATOM 0 HA LYS A 25 1.057 7.402 -1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.112 9.739 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.611 8.830 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.063 8.083 -3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.644 9.109 -3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.941 10.879 -3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.800 10.752 -2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.639 10.246 -3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.923 8.656 -3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.438 9.627 -6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.760 9.430 -5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.454 10.970 -5.730 1.00 0.00 H new ATOM 204 N GLU A 26 2.338 5.237 -1.330 1.00 0.00 N ATOM 205 CA GLU A 26 3.240 4.052 -1.325 1.00 0.00 C ATOM 206 C GLU A 26 3.855 3.891 -2.716 1.00 0.00 C ATOM 207 O GLU A 26 3.177 3.565 -3.671 1.00 0.00 O ATOM 208 CB GLU A 26 2.437 2.799 -0.971 1.00 0.00 C ATOM 209 CG GLU A 26 1.348 3.160 0.042 1.00 0.00 C ATOM 210 CD GLU A 26 -0.018 3.126 -0.645 1.00 0.00 C ATOM 211 OE1 GLU A 26 -0.062 3.339 -1.846 1.00 0.00 O ATOM 212 OE2 GLU A 26 -0.999 2.890 0.041 1.00 0.00 O ATOM 0 H GLU A 26 1.368 5.044 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 26 4.029 4.191 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.987 2.377 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.096 2.037 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.365 2.459 0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.535 4.151 0.455 1.00 0.00 H new ATOM 219 N MET A 27 5.132 4.126 -2.845 1.00 0.00 N ATOM 220 CA MET A 27 5.780 3.995 -4.179 1.00 0.00 C ATOM 221 C MET A 27 6.274 2.555 -4.378 1.00 0.00 C ATOM 222 O MET A 27 6.794 1.946 -3.457 1.00 0.00 O ATOM 223 CB MET A 27 6.967 4.956 -4.265 1.00 0.00 C ATOM 224 CG MET A 27 6.533 6.346 -3.797 1.00 0.00 C ATOM 225 SD MET A 27 7.176 7.595 -4.939 1.00 0.00 S ATOM 226 CE MET A 27 8.412 8.306 -3.825 1.00 0.00 C ATOM 0 H MET A 27 5.753 4.403 -2.085 1.00 0.00 H new ATOM 0 HA MET A 27 5.055 4.238 -4.956 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.788 4.593 -3.647 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.336 5.004 -5.290 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.445 6.404 -3.753 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.903 6.534 -2.789 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.477 9.381 -3.992 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.122 8.116 -2.791 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.382 7.849 -4.019 1.00 0.00 H new ATOM 236 N PRO A 28 6.106 2.058 -5.581 1.00 0.00 N ATOM 237 CA PRO A 28 6.524 0.691 -5.937 1.00 0.00 C ATOM 238 C PRO A 28 8.047 0.612 -5.996 1.00 0.00 C ATOM 239 O PRO A 28 8.622 -0.453 -6.106 1.00 0.00 O ATOM 240 CB PRO A 28 5.884 0.457 -7.308 1.00 0.00 C ATOM 241 CG PRO A 28 5.602 1.856 -7.899 1.00 0.00 C ATOM 242 CD PRO A 28 5.511 2.819 -6.701 1.00 0.00 C ATOM 0 HA PRO A 28 6.215 -0.064 -5.214 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.551 -0.112 -7.956 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.963 -0.118 -7.214 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.397 2.158 -8.581 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.674 1.857 -8.471 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.057 3.743 -6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.478 3.097 -6.490 1.00 0.00 H new ATOM 250 N ASP A 29 8.704 1.733 -5.892 1.00 0.00 N ATOM 251 CA ASP A 29 10.187 1.727 -5.907 1.00 0.00 C ATOM 252 C ASP A 29 10.677 1.592 -4.464 1.00 0.00 C ATOM 253 O ASP A 29 11.806 1.909 -4.152 1.00 0.00 O ATOM 254 CB ASP A 29 10.703 3.035 -6.510 1.00 0.00 C ATOM 255 CG ASP A 29 10.099 4.218 -5.754 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.411 3.981 -4.776 1.00 0.00 O ATOM 257 OD2 ASP A 29 10.334 5.343 -6.165 1.00 0.00 O ATOM 0 H ASP A 29 8.274 2.653 -5.797 1.00 0.00 H new ATOM 0 HA ASP A 29 10.556 0.897 -6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.791 3.070 -6.452 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.438 3.091 -7.566 1.00 0.00 H new ATOM 262 N LYS A 30 9.815 1.134 -3.586 1.00 0.00 N ATOM 263 CA LYS A 30 10.183 0.971 -2.153 1.00 0.00 C ATOM 264 C LYS A 30 10.304 2.346 -1.507 1.00 0.00 C ATOM 265 O LYS A 30 11.336 2.712 -0.983 1.00 0.00 O ATOM 266 CB LYS A 30 11.507 0.212 -2.026 1.00 0.00 C ATOM 267 CG LYS A 30 11.316 -1.228 -2.507 1.00 0.00 C ATOM 268 CD LYS A 30 12.619 -1.741 -3.124 1.00 0.00 C ATOM 269 CE LYS A 30 13.753 -1.606 -2.106 1.00 0.00 C ATOM 270 NZ LYS A 30 14.273 -0.211 -2.123 1.00 0.00 N ATOM 0 H LYS A 30 8.858 0.863 -3.811 1.00 0.00 H new ATOM 0 HA LYS A 30 9.408 0.397 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.279 0.705 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.845 0.219 -0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.022 -1.865 -1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.512 -1.273 -3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.507 -2.783 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.855 -1.174 -4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.393 -1.859 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.554 -2.307 -2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.296 -0.220 -1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.095 0.215 -3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.792 0.348 -1.390 1.00 0.00 H new ATOM 284 N THR A 31 9.247 3.111 -1.540 1.00 0.00 N ATOM 285 CA THR A 31 9.288 4.463 -0.926 1.00 0.00 C ATOM 286 C THR A 31 7.947 4.759 -0.255 1.00 0.00 C ATOM 287 O THR A 31 7.041 3.948 -0.272 1.00 0.00 O ATOM 288 CB THR A 31 9.560 5.507 -2.004 1.00 0.00 C ATOM 289 OG1 THR A 31 10.471 4.977 -2.958 1.00 0.00 O ATOM 290 CG2 THR A 31 10.159 6.761 -1.365 1.00 0.00 C ATOM 0 H THR A 31 8.357 2.855 -1.967 1.00 0.00 H new ATOM 0 HA THR A 31 10.083 4.498 -0.181 1.00 0.00 H new ATOM 0 HB THR A 31 8.625 5.767 -2.500 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.042 4.245 -3.448 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.353 7.506 -2.137 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.458 7.168 -0.636 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.093 6.504 -0.866 1.00 0.00 H new ATOM 298 N PHE A 32 7.811 5.913 0.334 1.00 0.00 N ATOM 299 CA PHE A 32 6.527 6.261 1.007 1.00 0.00 C ATOM 300 C PHE A 32 6.459 7.775 1.208 1.00 0.00 C ATOM 301 O PHE A 32 7.459 8.421 1.456 1.00 0.00 O ATOM 302 CB PHE A 32 6.456 5.563 2.367 1.00 0.00 C ATOM 303 CG PHE A 32 5.603 4.321 2.255 1.00 0.00 C ATOM 304 CD1 PHE A 32 4.214 4.408 2.408 1.00 0.00 C ATOM 305 CD2 PHE A 32 6.202 3.081 1.998 1.00 0.00 C ATOM 306 CE1 PHE A 32 3.424 3.257 2.307 1.00 0.00 C ATOM 307 CE2 PHE A 32 5.412 1.930 1.896 1.00 0.00 C ATOM 308 CZ PHE A 32 4.023 2.018 2.050 1.00 0.00 C ATOM 0 H PHE A 32 8.533 6.632 0.379 1.00 0.00 H new ATOM 0 HA PHE A 32 5.690 5.934 0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.458 5.299 2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.036 6.239 3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.752 5.364 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.273 3.013 1.879 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.353 3.325 2.427 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.874 0.974 1.698 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.414 1.130 1.971 1.00 0.00 H new ATOM 318 N GLU A 33 5.293 8.350 1.104 1.00 0.00 N ATOM 319 CA GLU A 33 5.176 9.822 1.288 1.00 0.00 C ATOM 320 C GLU A 33 3.798 10.172 1.853 1.00 0.00 C ATOM 321 O GLU A 33 2.814 10.213 1.141 1.00 0.00 O ATOM 322 CB GLU A 33 5.363 10.523 -0.060 1.00 0.00 C ATOM 323 CG GLU A 33 5.634 12.010 0.170 1.00 0.00 C ATOM 324 CD GLU A 33 5.315 12.791 -1.106 1.00 0.00 C ATOM 325 OE1 GLU A 33 4.224 12.620 -1.625 1.00 0.00 O ATOM 326 OE2 GLU A 33 6.168 13.545 -1.544 1.00 0.00 O ATOM 0 H GLU A 33 4.419 7.865 0.900 1.00 0.00 H new ATOM 0 HA GLU A 33 5.945 10.154 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.192 10.072 -0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.472 10.396 -0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.025 12.378 0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.676 12.161 0.450 1.00 0.00 H new ATOM 333 N CYS A 34 3.725 10.441 3.128 1.00 0.00 N ATOM 334 CA CYS A 34 2.420 10.809 3.742 1.00 0.00 C ATOM 335 C CYS A 34 1.892 12.063 3.038 1.00 0.00 C ATOM 336 O CYS A 34 2.387 13.153 3.239 1.00 0.00 O ATOM 337 CB CYS A 34 2.641 11.091 5.229 1.00 0.00 C ATOM 338 SG CYS A 34 1.057 11.260 6.088 1.00 0.00 S ATOM 0 H CYS A 34 4.516 10.421 3.772 1.00 0.00 H new ATOM 0 HA CYS A 34 1.696 10.001 3.635 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.219 10.282 5.676 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.225 12.004 5.349 1.00 0.00 H new ATOM 343 N LEU A 35 0.907 11.911 2.195 1.00 0.00 N ATOM 344 CA LEU A 35 0.366 13.088 1.455 1.00 0.00 C ATOM 345 C LEU A 35 -0.469 13.977 2.381 1.00 0.00 C ATOM 346 O LEU A 35 -1.058 14.947 1.946 1.00 0.00 O ATOM 347 CB LEU A 35 -0.513 12.602 0.301 1.00 0.00 C ATOM 348 CG LEU A 35 0.332 11.795 -0.684 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.131 10.337 -0.679 1.00 0.00 C ATOM 350 CD2 LEU A 35 0.168 12.375 -2.091 1.00 0.00 C ATOM 0 H LEU A 35 0.453 11.022 1.986 1.00 0.00 H new ATOM 0 HA LEU A 35 1.204 13.670 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.328 11.988 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.967 13.453 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 35 1.380 11.845 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.472 9.761 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.016 9.922 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.179 10.287 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.770 11.800 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.880 12.325 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.497 13.414 -2.097 1.00 0.00 H new ATOM 362 N PHE A 36 -0.534 13.672 3.648 1.00 0.00 N ATOM 363 CA PHE A 36 -1.340 14.529 4.563 1.00 0.00 C ATOM 364 C PHE A 36 -0.825 15.970 4.490 1.00 0.00 C ATOM 365 O PHE A 36 0.369 16.195 4.426 1.00 0.00 O ATOM 366 CB PHE A 36 -1.208 14.017 5.993 1.00 0.00 C ATOM 367 CG PHE A 36 -2.022 14.889 6.918 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.533 16.139 7.319 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.259 14.440 7.387 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.284 16.936 8.192 1.00 0.00 C ATOM 371 CE2 PHE A 36 -4.011 15.237 8.258 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.523 16.486 8.660 1.00 0.00 C ATOM 0 H PHE A 36 -0.070 12.876 4.086 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.387 14.497 4.263 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.551 12.984 6.054 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.161 14.023 6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.578 16.488 6.955 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.636 13.476 7.077 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.906 17.899 8.504 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.967 14.889 8.620 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.103 17.102 9.331 1.00 0.00 H new ATOM 382 N PRO A 37 -1.739 16.908 4.503 1.00 0.00 N ATOM 383 CA PRO A 37 -1.399 18.339 4.438 1.00 0.00 C ATOM 384 C PRO A 37 -0.879 18.817 5.789 1.00 0.00 C ATOM 385 O PRO A 37 -1.619 18.954 6.742 1.00 0.00 O ATOM 386 CB PRO A 37 -2.727 19.011 4.078 1.00 0.00 C ATOM 387 CG PRO A 37 -3.841 18.026 4.505 1.00 0.00 C ATOM 388 CD PRO A 37 -3.187 16.632 4.591 1.00 0.00 C ATOM 0 HA PRO A 37 -0.614 18.567 3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.833 19.965 4.594 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.780 19.219 3.009 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.266 18.315 5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.657 18.027 3.783 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.441 16.129 5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.520 15.985 3.779 1.00 0.00 H new ATOM 396 N GLY A 38 0.396 19.057 5.875 1.00 0.00 N ATOM 397 CA GLY A 38 0.990 19.506 7.160 1.00 0.00 C ATOM 398 C GLY A 38 2.026 18.472 7.591 1.00 0.00 C ATOM 399 O GLY A 38 2.901 18.742 8.388 1.00 0.00 O ATOM 0 H GLY A 38 1.057 18.961 5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.455 20.485 7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.217 19.610 7.921 1.00 0.00 H new ATOM 403 N CYS A 39 1.932 17.282 7.056 1.00 0.00 N ATOM 404 CA CYS A 39 2.913 16.222 7.422 1.00 0.00 C ATOM 405 C CYS A 39 4.307 16.628 6.939 1.00 0.00 C ATOM 406 O CYS A 39 4.459 17.525 6.134 1.00 0.00 O ATOM 407 CB CYS A 39 2.516 14.906 6.754 1.00 0.00 C ATOM 408 SG CYS A 39 3.448 13.546 7.498 1.00 0.00 S ATOM 0 H CYS A 39 1.219 17.001 6.383 1.00 0.00 H new ATOM 0 HA CYS A 39 2.921 16.097 8.505 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.446 14.735 6.871 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.715 14.955 5.683 1.00 0.00 H new ATOM 413 N THR A 40 5.326 15.971 7.422 1.00 0.00 N ATOM 414 CA THR A 40 6.709 16.315 6.986 1.00 0.00 C ATOM 415 C THR A 40 7.619 15.101 7.188 1.00 0.00 C ATOM 416 O THR A 40 8.783 15.235 7.510 1.00 0.00 O ATOM 417 CB THR A 40 7.231 17.487 7.820 1.00 0.00 C ATOM 418 OG1 THR A 40 6.138 18.291 8.239 1.00 0.00 O ATOM 419 CG2 THR A 40 8.192 18.327 6.978 1.00 0.00 C ATOM 0 H THR A 40 5.261 15.211 8.099 1.00 0.00 H new ATOM 0 HA THR A 40 6.701 16.595 5.933 1.00 0.00 H new ATOM 0 HB THR A 40 7.758 17.105 8.694 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.470 19.041 8.775 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.563 19.161 7.573 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.031 17.709 6.657 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.668 18.711 6.102 1.00 0.00 H new ATOM 427 N LYS A 41 7.099 13.915 7.009 1.00 0.00 N ATOM 428 CA LYS A 41 7.942 12.701 7.200 1.00 0.00 C ATOM 429 C LYS A 41 7.701 11.710 6.057 1.00 0.00 C ATOM 430 O LYS A 41 6.582 11.480 5.646 1.00 0.00 O ATOM 431 CB LYS A 41 7.580 12.037 8.529 1.00 0.00 C ATOM 432 CG LYS A 41 8.856 11.581 9.238 1.00 0.00 C ATOM 433 CD LYS A 41 9.024 12.365 10.542 1.00 0.00 C ATOM 434 CE LYS A 41 7.797 12.149 11.428 1.00 0.00 C ATOM 435 NZ LYS A 41 8.234 11.701 12.781 1.00 0.00 N ATOM 0 H LYS A 41 6.131 13.736 6.740 1.00 0.00 H new ATOM 0 HA LYS A 41 8.992 12.993 7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.032 12.737 9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.924 11.184 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.806 10.513 9.448 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.720 11.739 8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.924 12.037 11.062 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.149 13.426 10.327 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.225 13.073 11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.139 11.404 10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.400 11.554 13.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.762 10.809 12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.845 12.427 13.206 1.00 0.00 H new ATOM 449 N THR A 42 8.747 11.113 5.551 1.00 0.00 N ATOM 450 CA THR A 42 8.588 10.127 4.446 1.00 0.00 C ATOM 451 C THR A 42 9.241 8.806 4.855 1.00 0.00 C ATOM 452 O THR A 42 10.096 8.769 5.718 1.00 0.00 O ATOM 453 CB THR A 42 9.265 10.657 3.182 1.00 0.00 C ATOM 454 OG1 THR A 42 10.669 10.465 3.280 1.00 0.00 O ATOM 455 CG2 THR A 42 8.958 12.146 3.021 1.00 0.00 C ATOM 0 H THR A 42 9.708 11.267 5.857 1.00 0.00 H new ATOM 0 HA THR A 42 7.528 9.970 4.248 1.00 0.00 H new ATOM 0 HB THR A 42 8.887 10.117 2.314 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.103 10.803 2.469 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.442 12.522 2.119 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.880 12.289 2.941 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.333 12.691 3.888 1.00 0.00 H new ATOM 463 N PHE A 43 8.842 7.720 4.254 1.00 0.00 N ATOM 464 CA PHE A 43 9.442 6.406 4.625 1.00 0.00 C ATOM 465 C PHE A 43 9.716 5.591 3.361 1.00 0.00 C ATOM 466 O PHE A 43 9.611 6.088 2.257 1.00 0.00 O ATOM 467 CB PHE A 43 8.469 5.644 5.527 1.00 0.00 C ATOM 468 CG PHE A 43 7.706 6.627 6.387 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.711 7.432 5.817 1.00 0.00 C ATOM 470 CD2 PHE A 43 7.999 6.740 7.751 1.00 0.00 C ATOM 471 CE1 PHE A 43 6.010 8.347 6.610 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.298 7.656 8.544 1.00 0.00 C ATOM 473 CZ PHE A 43 6.303 8.460 7.973 1.00 0.00 C ATOM 0 H PHE A 43 8.130 7.684 3.525 1.00 0.00 H new ATOM 0 HA PHE A 43 10.380 6.570 5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.776 5.060 4.921 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.014 4.940 6.156 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.485 7.346 4.764 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.766 6.120 8.192 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.242 8.966 6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.524 7.743 9.596 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.762 9.167 8.585 1.00 0.00 H new ATOM 483 N LYS A 44 10.068 4.343 3.510 1.00 0.00 N ATOM 484 CA LYS A 44 10.348 3.503 2.311 1.00 0.00 C ATOM 485 C LYS A 44 10.030 2.039 2.620 1.00 0.00 C ATOM 486 O LYS A 44 10.518 1.477 3.581 1.00 0.00 O ATOM 487 CB LYS A 44 11.826 3.631 1.926 1.00 0.00 C ATOM 488 CG LYS A 44 12.346 5.013 2.324 1.00 0.00 C ATOM 489 CD LYS A 44 13.864 5.062 2.137 1.00 0.00 C ATOM 490 CE LYS A 44 14.505 3.865 2.841 1.00 0.00 C ATOM 491 NZ LYS A 44 14.899 2.844 1.827 1.00 0.00 N ATOM 0 H LYS A 44 10.174 3.870 4.407 1.00 0.00 H new ATOM 0 HA LYS A 44 9.725 3.843 1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.409 2.856 2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.946 3.482 0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.869 5.781 1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.090 5.224 3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.111 5.048 1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.261 5.992 2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.379 4.188 3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.805 3.432 3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.848 1.896 2.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.252 2.895 1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.871 3.029 1.508 1.00 0.00 H new ATOM 505 N ARG A 45 9.217 1.417 1.810 1.00 0.00 N ATOM 506 CA ARG A 45 8.866 -0.012 2.050 1.00 0.00 C ATOM 507 C ARG A 45 8.604 -0.231 3.540 1.00 0.00 C ATOM 508 O ARG A 45 9.507 -0.516 4.303 1.00 0.00 O ATOM 509 CB ARG A 45 10.025 -0.904 1.599 1.00 0.00 C ATOM 510 CG ARG A 45 9.522 -2.335 1.396 1.00 0.00 C ATOM 511 CD ARG A 45 10.697 -3.308 1.492 1.00 0.00 C ATOM 512 NE ARG A 45 10.232 -4.685 1.161 1.00 0.00 N ATOM 513 CZ ARG A 45 10.783 -5.717 1.740 1.00 0.00 C ATOM 514 NH1 ARG A 45 10.798 -5.804 3.042 1.00 0.00 N ATOM 515 NH2 ARG A 45 11.318 -6.662 1.017 1.00 0.00 N ATOM 0 H ARG A 45 8.780 1.838 0.990 1.00 0.00 H new ATOM 0 HA ARG A 45 7.970 -0.266 1.484 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.451 -0.522 0.671 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.820 -0.889 2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.772 -2.578 2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.039 -2.427 0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.490 -3.006 0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.119 -3.287 2.497 1.00 0.00 H new ATOM 0 HE ARG A 45 9.483 -4.821 0.482 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.379 -5.066 3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.229 -6.610 3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.306 -6.594 -0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.749 -7.468 1.469 1.00 0.00 H new ATOM 529 N ARG A 46 7.377 -0.101 3.964 1.00 0.00 N ATOM 530 CA ARG A 46 7.066 -0.302 5.407 1.00 0.00 C ATOM 531 C ARG A 46 5.584 -0.010 5.658 1.00 0.00 C ATOM 532 O ARG A 46 4.974 0.792 4.979 1.00 0.00 O ATOM 533 CB ARG A 46 7.921 0.648 6.248 1.00 0.00 C ATOM 534 CG ARG A 46 8.314 -0.042 7.556 1.00 0.00 C ATOM 535 CD ARG A 46 9.834 -0.001 7.719 1.00 0.00 C ATOM 536 NE ARG A 46 10.227 -0.807 8.909 1.00 0.00 N ATOM 537 CZ ARG A 46 9.818 -0.458 10.098 1.00 0.00 C ATOM 538 NH1 ARG A 46 10.461 0.461 10.766 1.00 0.00 N ATOM 539 NH2 ARG A 46 8.765 -1.025 10.619 1.00 0.00 N ATOM 0 H ARG A 46 6.578 0.135 3.375 1.00 0.00 H new ATOM 0 HA ARG A 46 7.284 -1.333 5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.814 0.937 5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.367 1.563 6.459 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.834 0.454 8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.966 -1.075 7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.317 -0.394 6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.170 1.029 7.837 1.00 0.00 H new ATOM 0 HE ARG A 46 10.816 -1.632 8.794 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.283 0.906 10.359 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.141 0.734 11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.261 -1.742 10.097 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.446 -0.752 11.548 1.00 0.00 H new ATOM 553 N TYR A 47 5.002 -0.656 6.631 1.00 0.00 N ATOM 554 CA TYR A 47 3.562 -0.418 6.933 1.00 0.00 C ATOM 555 C TYR A 47 3.453 0.180 8.326 1.00 0.00 C ATOM 556 O TYR A 47 2.470 -0.002 9.016 1.00 0.00 O ATOM 557 CB TYR A 47 2.777 -1.737 6.918 1.00 0.00 C ATOM 558 CG TYR A 47 3.711 -2.895 6.666 1.00 0.00 C ATOM 559 CD1 TYR A 47 4.484 -3.405 7.715 1.00 0.00 C ATOM 560 CD2 TYR A 47 3.801 -3.452 5.390 1.00 0.00 C ATOM 561 CE1 TYR A 47 5.351 -4.479 7.483 1.00 0.00 C ATOM 562 CE2 TYR A 47 4.669 -4.526 5.156 1.00 0.00 C ATOM 563 CZ TYR A 47 5.444 -5.039 6.203 1.00 0.00 C ATOM 564 OH TYR A 47 6.298 -6.099 5.973 1.00 0.00 O ATOM 0 H TYR A 47 5.463 -1.340 7.231 1.00 0.00 H new ATOM 0 HA TYR A 47 3.151 0.253 6.178 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.264 -1.874 7.870 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.010 -1.704 6.144 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.412 -2.971 8.701 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.202 -3.055 4.584 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.948 -4.876 8.291 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.740 -4.958 4.169 1.00 0.00 H new ATOM 0 HH TYR A 47 6.240 -6.368 5.032 1.00 0.00 H new ATOM 574 N ASN A 48 4.456 0.885 8.756 1.00 0.00 N ATOM 575 CA ASN A 48 4.400 1.478 10.108 1.00 0.00 C ATOM 576 C ASN A 48 4.114 2.970 9.975 1.00 0.00 C ATOM 577 O ASN A 48 3.656 3.619 10.896 1.00 0.00 O ATOM 578 CB ASN A 48 5.737 1.270 10.822 1.00 0.00 C ATOM 579 CG ASN A 48 5.749 -0.102 11.497 1.00 0.00 C ATOM 580 OD1 ASN A 48 6.126 -0.223 12.646 1.00 0.00 O ATOM 581 ND2 ASN A 48 5.347 -1.147 10.828 1.00 0.00 N ATOM 0 H ASN A 48 5.309 1.074 8.229 1.00 0.00 H new ATOM 0 HA ASN A 48 3.613 0.999 10.690 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.557 1.343 10.108 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.890 2.053 11.564 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.349 -2.067 11.269 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.031 -1.045 9.864 1.00 0.00 H new ATOM 588 N ILE A 49 4.372 3.513 8.820 1.00 0.00 N ATOM 589 CA ILE A 49 4.108 4.963 8.609 1.00 0.00 C ATOM 590 C ILE A 49 2.593 5.159 8.516 1.00 0.00 C ATOM 591 O ILE A 49 2.065 6.189 8.883 1.00 0.00 O ATOM 592 CB ILE A 49 4.833 5.484 7.334 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.829 5.972 6.281 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.699 4.389 6.708 1.00 0.00 C ATOM 595 CD1 ILE A 49 3.046 4.784 5.723 1.00 0.00 C ATOM 0 H ILE A 49 4.753 3.018 8.014 1.00 0.00 H new ATOM 0 HA ILE A 49 4.501 5.542 9.445 1.00 0.00 H new ATOM 0 HB ILE A 49 5.463 6.316 7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.144 6.694 6.725 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.354 6.484 5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.194 4.780 5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.450 4.063 7.428 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.071 3.542 6.431 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.335 5.136 4.976 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.736 4.077 5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.508 4.290 6.532 1.00 0.00 H new ATOM 607 N ARG A 50 1.889 4.166 8.040 1.00 0.00 N ATOM 608 CA ARG A 50 0.412 4.293 7.943 1.00 0.00 C ATOM 609 C ARG A 50 -0.139 4.562 9.341 1.00 0.00 C ATOM 610 O ARG A 50 -0.983 5.414 9.535 1.00 0.00 O ATOM 611 CB ARG A 50 -0.182 2.994 7.395 1.00 0.00 C ATOM 612 CG ARG A 50 0.057 1.861 8.394 1.00 0.00 C ATOM 613 CD ARG A 50 -0.262 0.521 7.732 1.00 0.00 C ATOM 614 NE ARG A 50 -1.696 0.185 7.956 1.00 0.00 N ATOM 615 CZ ARG A 50 -2.055 -0.453 9.036 1.00 0.00 C ATOM 616 NH1 ARG A 50 -1.542 -1.622 9.304 1.00 0.00 N ATOM 617 NH2 ARG A 50 -2.926 0.080 9.849 1.00 0.00 N ATOM 0 H ARG A 50 2.274 3.278 7.717 1.00 0.00 H new ATOM 0 HA ARG A 50 0.148 5.110 7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.250 3.117 7.218 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.274 2.749 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.093 1.874 8.733 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.569 2.001 9.275 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.052 0.572 6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.375 -0.261 8.145 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.397 0.454 7.265 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.860 -2.037 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.823 -2.121 10.148 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.326 0.995 9.640 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.207 -0.418 10.693 1.00 0.00 H new ATOM 631 N SER A 51 0.353 3.855 10.322 1.00 0.00 N ATOM 632 CA SER A 51 -0.124 4.086 11.710 1.00 0.00 C ATOM 633 C SER A 51 0.290 5.495 12.129 1.00 0.00 C ATOM 634 O SER A 51 -0.457 6.213 12.764 1.00 0.00 O ATOM 635 CB SER A 51 0.510 3.062 12.652 1.00 0.00 C ATOM 636 OG SER A 51 0.187 3.396 13.995 1.00 0.00 O ATOM 0 H SER A 51 1.063 3.130 10.220 1.00 0.00 H new ATOM 0 HA SER A 51 -1.208 3.981 11.757 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.148 2.061 12.417 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.592 3.049 12.519 1.00 0.00 H new ATOM 0 HG SER A 51 0.591 2.740 14.601 1.00 0.00 H new ATOM 642 N HIS A 52 1.474 5.899 11.760 1.00 0.00 N ATOM 643 CA HIS A 52 1.935 7.269 12.119 1.00 0.00 C ATOM 644 C HIS A 52 0.842 8.261 11.725 1.00 0.00 C ATOM 645 O HIS A 52 0.503 9.161 12.468 1.00 0.00 O ATOM 646 CB HIS A 52 3.265 7.572 11.379 1.00 0.00 C ATOM 647 CG HIS A 52 3.208 8.915 10.685 1.00 0.00 C ATOM 648 ND1 HIS A 52 3.978 9.995 11.089 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.430 9.378 9.652 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.638 11.046 10.319 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.696 10.724 9.427 1.00 0.00 N ATOM 0 H HIS A 52 2.141 5.341 11.227 1.00 0.00 H new ATOM 0 HA HIS A 52 2.119 7.352 13.190 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.091 7.561 12.090 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.464 6.789 10.647 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.675 9.994 11.834 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.718 8.785 9.097 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.074 12.030 10.411 1.00 0.00 H new ATOM 659 N ILE A 53 0.286 8.098 10.562 1.00 0.00 N ATOM 660 CA ILE A 53 -0.786 9.022 10.121 1.00 0.00 C ATOM 661 C ILE A 53 -1.955 8.909 11.089 1.00 0.00 C ATOM 662 O ILE A 53 -2.312 9.854 11.761 1.00 0.00 O ATOM 663 CB ILE A 53 -1.255 8.625 8.718 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.093 8.730 7.730 1.00 0.00 C ATOM 665 CG2 ILE A 53 -2.381 9.556 8.279 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.623 8.674 6.295 1.00 0.00 C ATOM 0 H ILE A 53 0.529 7.363 9.897 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.411 10.045 10.102 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.615 7.596 8.738 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.449 9.662 7.891 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.613 7.917 7.898 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.717 9.276 7.281 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.214 9.475 8.978 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.018 10.584 8.264 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.210 8.749 5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.145 7.730 6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.312 9.502 6.129 1.00 0.00 H new ATOM 678 N GLN A 54 -2.546 7.747 11.159 1.00 0.00 N ATOM 679 CA GLN A 54 -3.700 7.538 12.074 1.00 0.00 C ATOM 680 C GLN A 54 -3.458 8.279 13.382 1.00 0.00 C ATOM 681 O GLN A 54 -4.386 8.716 14.036 1.00 0.00 O ATOM 682 CB GLN A 54 -3.871 6.044 12.354 1.00 0.00 C ATOM 683 CG GLN A 54 -5.355 5.725 12.548 1.00 0.00 C ATOM 684 CD GLN A 54 -6.037 5.601 11.184 1.00 0.00 C ATOM 685 OE1 GLN A 54 -7.106 6.142 10.976 1.00 0.00 O ATOM 686 NE2 GLN A 54 -5.462 4.909 10.240 1.00 0.00 N ATOM 0 H GLN A 54 -2.275 6.927 10.616 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.605 7.923 11.604 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.468 5.460 11.526 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.309 5.764 13.245 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.467 4.796 13.108 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.832 6.510 13.134 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.565 4.455 10.414 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.909 4.822 9.327 1.00 0.00 H new ATOM 695 N THR A 55 -2.226 8.441 13.774 1.00 0.00 N ATOM 696 CA THR A 55 -1.969 9.173 15.039 1.00 0.00 C ATOM 697 C THR A 55 -2.113 10.665 14.777 1.00 0.00 C ATOM 698 O THR A 55 -2.801 11.367 15.492 1.00 0.00 O ATOM 699 CB THR A 55 -0.561 8.863 15.552 1.00 0.00 C ATOM 700 OG1 THR A 55 -0.177 7.563 15.125 1.00 0.00 O ATOM 701 CG2 THR A 55 -0.549 8.925 17.081 1.00 0.00 C ATOM 0 H THR A 55 -1.399 8.104 13.281 1.00 0.00 H new ATOM 0 HA THR A 55 -2.687 8.860 15.797 1.00 0.00 H new ATOM 0 HB THR A 55 0.140 9.597 15.155 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.133 7.602 14.196 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.454 8.704 17.446 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.842 9.923 17.407 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.250 8.192 17.480 1.00 0.00 H new ATOM 709 N HIS A 56 -1.483 11.161 13.753 1.00 0.00 N ATOM 710 CA HIS A 56 -1.605 12.599 13.453 1.00 0.00 C ATOM 711 C HIS A 56 -2.735 12.802 12.446 1.00 0.00 C ATOM 712 O HIS A 56 -2.830 13.814 11.781 1.00 0.00 O ATOM 713 CB HIS A 56 -0.252 13.132 12.972 1.00 0.00 C ATOM 714 CG HIS A 56 -0.108 13.184 11.474 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.632 14.212 10.703 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.663 12.442 10.628 1.00 0.00 C ATOM 717 CE1 HIS A 56 -0.138 14.065 9.454 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.658 12.999 9.357 1.00 0.00 N ATOM 0 H HIS A 56 -0.891 10.629 13.115 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.867 13.171 14.343 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.104 14.134 13.375 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.540 12.504 13.381 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.270 14.942 11.020 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.201 11.548 10.908 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.361 14.730 8.633 1.00 0.00 H new ATOM 726 N LEU A 57 -3.626 11.843 12.381 1.00 0.00 N ATOM 727 CA LEU A 57 -4.802 11.954 11.480 1.00 0.00 C ATOM 728 C LEU A 57 -6.073 11.792 12.320 1.00 0.00 C ATOM 729 O LEU A 57 -7.117 12.319 11.988 1.00 0.00 O ATOM 730 CB LEU A 57 -4.768 10.865 10.406 1.00 0.00 C ATOM 731 CG LEU A 57 -4.479 11.501 9.047 1.00 0.00 C ATOM 732 CD1 LEU A 57 -5.614 12.460 8.677 1.00 0.00 C ATOM 733 CD2 LEU A 57 -3.159 12.269 9.128 1.00 0.00 C ATOM 0 H LEU A 57 -3.583 10.980 12.923 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.785 12.926 10.987 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.002 10.127 10.645 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.721 10.337 10.377 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.406 10.726 8.284 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.406 12.913 7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.553 11.910 8.627 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.691 13.241 9.433 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.944 12.727 8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.236 13.046 9.888 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.354 11.583 9.391 1.00 0.00 H new ATOM 745 N GLU A 58 -5.997 11.067 13.412 1.00 0.00 N ATOM 746 CA GLU A 58 -7.205 10.882 14.262 1.00 0.00 C ATOM 747 C GLU A 58 -7.279 12.008 15.296 1.00 0.00 C ATOM 748 O GLU A 58 -8.306 12.630 15.479 1.00 0.00 O ATOM 749 CB GLU A 58 -7.123 9.534 14.982 1.00 0.00 C ATOM 750 CG GLU A 58 -8.305 9.396 15.944 1.00 0.00 C ATOM 751 CD GLU A 58 -9.379 8.511 15.310 1.00 0.00 C ATOM 752 OE1 GLU A 58 -9.080 7.363 15.027 1.00 0.00 O ATOM 753 OE2 GLU A 58 -10.482 8.996 15.120 1.00 0.00 O ATOM 0 H GLU A 58 -5.154 10.600 13.745 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.096 10.905 13.635 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.134 8.721 14.256 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.184 9.459 15.530 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.971 8.962 16.887 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.717 10.379 16.173 1.00 0.00 H new ATOM 760 N ASP A 59 -6.196 12.273 15.974 1.00 0.00 N ATOM 761 CA ASP A 59 -6.204 13.357 16.997 1.00 0.00 C ATOM 762 C ASP A 59 -4.868 13.363 17.742 1.00 0.00 C ATOM 763 O ASP A 59 -4.649 12.585 18.649 1.00 0.00 O ATOM 764 CB ASP A 59 -7.340 13.109 17.991 1.00 0.00 C ATOM 765 CG ASP A 59 -7.398 11.622 18.341 1.00 0.00 C ATOM 766 OD1 ASP A 59 -6.472 10.913 17.983 1.00 0.00 O ATOM 767 OD2 ASP A 59 -8.367 11.215 18.961 1.00 0.00 O ATOM 0 H ASP A 59 -5.306 11.786 15.864 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.352 14.320 16.507 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.183 13.700 18.893 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.289 13.429 17.562 1.00 0.00 H new ATOM 772 N ARG A 60 -3.972 14.234 17.365 1.00 0.00 N ATOM 773 CA ARG A 60 -2.652 14.288 18.053 1.00 0.00 C ATOM 774 C ARG A 60 -2.854 14.667 19.520 1.00 0.00 C ATOM 775 O ARG A 60 -3.446 13.878 20.239 1.00 0.00 O ATOM 776 CB ARG A 60 -1.767 15.335 17.373 1.00 0.00 C ATOM 777 CG ARG A 60 -2.572 16.618 17.153 1.00 0.00 C ATOM 778 CD ARG A 60 -1.621 17.815 17.106 1.00 0.00 C ATOM 779 NE ARG A 60 -0.784 17.734 15.876 1.00 0.00 N ATOM 780 CZ ARG A 60 -0.373 18.828 15.296 1.00 0.00 C ATOM 781 NH1 ARG A 60 -0.429 19.965 15.934 1.00 0.00 N ATOM 782 NH2 ARG A 60 0.094 18.785 14.078 1.00 0.00 N ATOM 783 OXT ARG A 60 -2.414 15.738 19.902 1.00 0.00 O ATOM 0 H ARG A 60 -4.097 14.910 16.611 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.172 13.311 17.995 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.892 15.543 17.989 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.402 14.954 16.419 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.136 16.551 16.223 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.297 16.747 17.957 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.189 18.745 17.112 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.986 17.824 17.992 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.533 16.825 15.488 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.794 19.998 16.886 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.108 20.820 15.481 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.138 17.896 13.580 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.415 19.640 13.625 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.866 12.003 8.115 1.00 0.00 ZN