USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 251 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 62 HIS HE2 : A 62 HIS NE2 : A 71 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 71 ZNZN :(H bumps) USER MOD Set 1.1: A 42 TYR OH : rot 180:sc= 0.28 USER MOD Set 1.2: A 56 ASN : amide:sc= -0.649! C(o=-0.37!,f=-4.7!) USER MOD Single : A 43 SER OG : rot 58:sc= 1.12 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -8.06! C(o=-9.3!,f=-8.1!) USER MOD Single : A 51 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.655) USER MOD Single : A 57 HIS : no HE2:sc= -12.7! C(o=-13!,f=-12!) USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= -0.149 (180deg=-0.943) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0389 X(o=-0.039,f=-0.031) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 39 -8.107 -14.044 -9.211 1.00 0.00 N ATOM 2 CA ASP A 39 -6.801 -13.515 -8.752 1.00 0.00 C ATOM 3 C ASP A 39 -6.978 -12.122 -8.167 1.00 0.00 C ATOM 4 O ASP A 39 -6.792 -11.132 -8.845 1.00 0.00 O ATOM 5 CB ASP A 39 -5.827 -13.424 -9.939 1.00 0.00 C ATOM 6 CG ASP A 39 -5.502 -14.833 -10.438 1.00 0.00 C ATOM 7 OD1 ASP A 39 -6.268 -15.305 -11.262 1.00 0.00 O ATOM 8 OD2 ASP A 39 -4.507 -15.358 -9.966 1.00 0.00 O ATOM 0 HA ASP A 39 -6.404 -14.188 -7.993 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.269 -12.835 -10.742 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.913 -12.914 -9.635 1.00 0.00 H new ATOM 15 N ARG A 40 -7.337 -12.066 -6.910 1.00 0.00 N ATOM 16 CA ARG A 40 -7.531 -10.742 -6.265 1.00 0.00 C ATOM 17 C ARG A 40 -8.334 -9.798 -7.181 1.00 0.00 C ATOM 18 O ARG A 40 -7.808 -8.823 -7.679 1.00 0.00 O ATOM 19 CB ARG A 40 -6.138 -10.122 -6.010 1.00 0.00 C ATOM 20 CG ARG A 40 -5.336 -11.006 -5.002 1.00 0.00 C ATOM 21 CD ARG A 40 -4.441 -12.001 -5.767 1.00 0.00 C ATOM 22 NE ARG A 40 -3.814 -12.952 -4.780 1.00 0.00 N ATOM 23 CZ ARG A 40 -4.076 -14.240 -4.851 1.00 0.00 C ATOM 24 NH1 ARG A 40 -5.208 -14.682 -4.375 1.00 0.00 N ATOM 25 NH2 ARG A 40 -3.193 -15.034 -5.394 1.00 0.00 N ATOM 0 H ARG A 40 -7.502 -12.875 -6.310 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.082 -10.874 -5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.591 -10.039 -6.949 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.247 -9.112 -5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.724 -10.374 -4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.024 -11.548 -4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.031 -12.552 -6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.668 -11.466 -6.318 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.187 -12.598 -4.058 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.874 -14.032 -3.956 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.427 -15.677 -4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.318 -14.653 -5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.378 -16.035 -5.458 1.00 0.00 H new ATOM 39 N PRO A 41 -9.612 -10.114 -7.384 1.00 0.00 N ATOM 40 CA PRO A 41 -10.475 -9.292 -8.239 1.00 0.00 C ATOM 41 C PRO A 41 -10.628 -7.860 -7.695 1.00 0.00 C ATOM 42 O PRO A 41 -10.941 -6.948 -8.435 1.00 0.00 O ATOM 43 CB PRO A 41 -11.857 -10.029 -8.243 1.00 0.00 C ATOM 44 CG PRO A 41 -11.691 -11.329 -7.380 1.00 0.00 C ATOM 45 CD PRO A 41 -10.260 -11.303 -6.785 1.00 0.00 C ATOM 0 HA PRO A 41 -10.054 -9.184 -9.239 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.636 -9.389 -7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -12.157 -10.278 -9.261 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.437 -11.362 -6.586 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.837 -12.219 -7.992 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.287 -11.231 -5.698 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.715 -12.214 -7.031 1.00 0.00 H new ATOM 53 N TYR A 42 -10.401 -7.690 -6.415 1.00 0.00 N ATOM 54 CA TYR A 42 -10.531 -6.331 -5.824 1.00 0.00 C ATOM 55 C TYR A 42 -9.253 -5.549 -6.013 1.00 0.00 C ATOM 56 O TYR A 42 -8.555 -5.243 -5.076 1.00 0.00 O ATOM 57 CB TYR A 42 -10.834 -6.466 -4.314 1.00 0.00 C ATOM 58 CG TYR A 42 -12.311 -6.821 -4.137 1.00 0.00 C ATOM 59 CD1 TYR A 42 -13.263 -5.826 -4.090 1.00 0.00 C ATOM 60 CD2 TYR A 42 -12.714 -8.136 -4.037 1.00 0.00 C ATOM 61 CE1 TYR A 42 -14.594 -6.135 -3.948 1.00 0.00 C ATOM 62 CE2 TYR A 42 -14.050 -8.449 -3.894 1.00 0.00 C ATOM 63 CZ TYR A 42 -15.002 -7.450 -3.849 1.00 0.00 C ATOM 64 OH TYR A 42 -16.340 -7.762 -3.706 1.00 0.00 O ATOM 0 H TYR A 42 -10.134 -8.428 -5.763 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.342 -5.800 -6.323 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -10.205 -7.238 -3.870 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -10.606 -5.533 -3.798 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.960 -4.792 -4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -11.979 -8.926 -4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.327 -5.343 -3.914 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -14.353 -9.483 -3.817 1.00 0.00 H new ATOM 0 HH TYR A 42 -16.445 -8.735 -3.653 1.00 0.00 H new ATOM 74 N SER A 43 -8.972 -5.246 -7.234 1.00 0.00 N ATOM 75 CA SER A 43 -7.730 -4.471 -7.549 1.00 0.00 C ATOM 76 C SER A 43 -8.043 -2.990 -7.752 1.00 0.00 C ATOM 77 O SER A 43 -8.329 -2.562 -8.852 1.00 0.00 O ATOM 78 CB SER A 43 -7.141 -5.027 -8.855 1.00 0.00 C ATOM 79 OG SER A 43 -8.210 -4.934 -9.785 1.00 0.00 O ATOM 0 H SER A 43 -9.543 -5.497 -8.041 1.00 0.00 H new ATOM 0 HA SER A 43 -7.030 -4.568 -6.719 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.277 -4.447 -9.181 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.806 -6.057 -8.734 1.00 0.00 H new ATOM 0 HG SER A 43 -8.508 -4.002 -9.849 1.00 0.00 H new ATOM 85 N CYS A 44 -7.985 -2.223 -6.683 1.00 0.00 N ATOM 86 CA CYS A 44 -8.277 -0.770 -6.810 1.00 0.00 C ATOM 87 C CYS A 44 -7.564 -0.186 -8.021 1.00 0.00 C ATOM 88 O CYS A 44 -6.651 -0.786 -8.554 1.00 0.00 O ATOM 89 CB CYS A 44 -7.768 -0.070 -5.544 1.00 0.00 C ATOM 90 SG CYS A 44 -7.439 1.705 -5.644 1.00 0.00 S ATOM 0 H CYS A 44 -7.750 -2.543 -5.743 1.00 0.00 H new ATOM 0 HA CYS A 44 -9.350 -0.623 -6.934 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -8.500 -0.232 -4.753 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.848 -0.565 -5.233 1.00 0.00 H new ATOM 95 N ASP A 45 -7.997 0.979 -8.437 1.00 0.00 N ATOM 96 CA ASP A 45 -7.354 1.632 -9.629 1.00 0.00 C ATOM 97 C ASP A 45 -7.117 3.121 -9.396 1.00 0.00 C ATOM 98 O ASP A 45 -7.643 3.950 -10.112 1.00 0.00 O ATOM 99 CB ASP A 45 -8.305 1.472 -10.829 1.00 0.00 C ATOM 100 CG ASP A 45 -9.724 1.873 -10.411 1.00 0.00 C ATOM 101 OD1 ASP A 45 -9.849 2.344 -9.293 1.00 0.00 O ATOM 102 OD2 ASP A 45 -10.603 1.684 -11.237 1.00 0.00 O ATOM 0 H ASP A 45 -8.760 1.505 -8.010 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.389 1.158 -9.809 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.969 2.094 -11.659 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.295 0.440 -11.180 1.00 0.00 H new ATOM 107 N HIS A 46 -6.324 3.442 -8.393 1.00 0.00 N ATOM 108 CA HIS A 46 -6.037 4.879 -8.098 1.00 0.00 C ATOM 109 C HIS A 46 -4.624 5.242 -8.639 1.00 0.00 C ATOM 110 O HIS A 46 -3.711 4.450 -8.514 1.00 0.00 O ATOM 111 CB HIS A 46 -6.044 5.045 -6.560 1.00 0.00 C ATOM 112 CG HIS A 46 -5.468 6.412 -6.175 1.00 0.00 C ATOM 113 ND1 HIS A 46 -4.174 6.755 -5.842 1.00 0.00 N flip ATOM 114 CD2 HIS A 46 -6.121 7.474 -6.112 1.00 0.00 C flip ATOM 115 CE1 HIS A 46 -4.118 8.091 -5.583 1.00 0.00 C flip ATOM 116 NE2 HIS A 46 -5.386 8.453 -5.778 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.869 2.772 -7.773 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.779 5.526 -8.566 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.062 4.951 -6.181 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.457 4.251 -6.098 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.179 7.550 -6.316 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.271 8.696 -5.296 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.727 9.408 -5.671 1.00 0.00 H new ATOM 124 N PRO A 47 -4.454 6.434 -9.237 1.00 0.00 N ATOM 125 CA PRO A 47 -3.145 6.819 -9.761 1.00 0.00 C ATOM 126 C PRO A 47 -2.041 6.599 -8.718 1.00 0.00 C ATOM 127 O PRO A 47 -1.907 7.358 -7.779 1.00 0.00 O ATOM 128 CB PRO A 47 -3.281 8.335 -10.119 1.00 0.00 C ATOM 129 CG PRO A 47 -4.792 8.713 -9.945 1.00 0.00 C ATOM 130 CD PRO A 47 -5.517 7.451 -9.406 1.00 0.00 C ATOM 0 HA PRO A 47 -2.864 6.218 -10.626 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.654 8.943 -9.467 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.952 8.521 -11.141 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.903 9.547 -9.252 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.222 9.028 -10.895 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.017 7.658 -8.460 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.282 7.109 -10.103 1.00 0.00 H new ATOM 138 N GLY A 48 -1.273 5.555 -8.912 1.00 0.00 N ATOM 139 CA GLY A 48 -0.166 5.257 -7.950 1.00 0.00 C ATOM 140 C GLY A 48 -0.661 4.352 -6.817 1.00 0.00 C ATOM 141 O GLY A 48 -0.751 4.773 -5.680 1.00 0.00 O ATOM 0 H GLY A 48 -1.363 4.900 -9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.658 4.773 -8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.222 6.187 -7.536 1.00 0.00 H new ATOM 145 N CYS A 49 -0.975 3.120 -7.150 1.00 0.00 N ATOM 146 CA CYS A 49 -1.464 2.175 -6.102 1.00 0.00 C ATOM 147 C CYS A 49 -1.062 0.742 -6.423 1.00 0.00 C ATOM 148 O CYS A 49 -1.352 0.238 -7.489 1.00 0.00 O ATOM 149 CB CYS A 49 -2.994 2.239 -6.053 1.00 0.00 C ATOM 150 SG CYS A 49 -3.823 1.100 -4.918 1.00 0.00 S ATOM 0 H CYS A 49 -0.914 2.735 -8.092 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.023 2.464 -5.148 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.283 3.255 -5.785 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.374 2.054 -7.058 1.00 0.00 H new ATOM 155 N ASP A 50 -0.393 0.114 -5.481 1.00 0.00 N ATOM 156 CA ASP A 50 0.057 -1.303 -5.682 1.00 0.00 C ATOM 157 C ASP A 50 -0.532 -2.190 -4.593 1.00 0.00 C ATOM 158 O ASP A 50 -0.140 -3.329 -4.432 1.00 0.00 O ATOM 159 CB ASP A 50 1.592 -1.347 -5.572 1.00 0.00 C ATOM 160 CG ASP A 50 2.208 -0.355 -6.562 1.00 0.00 C ATOM 161 OD1 ASP A 50 1.432 0.390 -7.137 1.00 0.00 O ATOM 162 OD2 ASP A 50 3.421 -0.397 -6.686 1.00 0.00 O ATOM 0 H ASP A 50 -0.139 0.523 -4.581 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.272 -1.657 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.901 -1.101 -4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.953 -2.354 -5.780 1.00 0.00 H new ATOM 167 N LYS A 51 -1.470 -1.642 -3.862 1.00 0.00 N ATOM 168 CA LYS A 51 -2.114 -2.418 -2.769 1.00 0.00 C ATOM 169 C LYS A 51 -3.251 -3.288 -3.305 1.00 0.00 C ATOM 170 O LYS A 51 -4.291 -2.790 -3.687 1.00 0.00 O ATOM 171 CB LYS A 51 -2.684 -1.412 -1.760 1.00 0.00 C ATOM 172 CG LYS A 51 -1.541 -0.894 -0.864 1.00 0.00 C ATOM 173 CD LYS A 51 -2.069 0.217 0.078 1.00 0.00 C ATOM 174 CE LYS A 51 -1.996 1.584 -0.628 1.00 0.00 C ATOM 175 NZ LYS A 51 -2.938 2.549 0.004 1.00 0.00 N ATOM 0 H LYS A 51 -1.815 -0.689 -3.978 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.377 -3.075 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.157 -0.581 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.454 -1.885 -1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.128 -1.714 -0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.732 -0.505 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.098 0.002 0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.479 0.239 0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.979 1.973 -0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.239 1.468 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.214 3.271 -0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.785 2.043 0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.474 3.008 0.814 1.00 0.00 H new ATOM 189 N ALA A 52 -3.028 -4.581 -3.322 1.00 0.00 N ATOM 190 CA ALA A 52 -4.080 -5.511 -3.828 1.00 0.00 C ATOM 191 C ALA A 52 -4.991 -5.962 -2.694 1.00 0.00 C ATOM 192 O ALA A 52 -4.634 -5.878 -1.537 1.00 0.00 O ATOM 193 CB ALA A 52 -3.387 -6.747 -4.421 1.00 0.00 C ATOM 0 H ALA A 52 -2.166 -5.028 -3.008 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.680 -4.997 -4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.139 -7.440 -4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.734 -6.441 -5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.795 -7.238 -3.649 1.00 0.00 H new ATOM 199 N PHE A 53 -6.159 -6.438 -3.051 1.00 0.00 N ATOM 200 CA PHE A 53 -7.127 -6.910 -2.009 1.00 0.00 C ATOM 201 C PHE A 53 -7.806 -8.202 -2.439 1.00 0.00 C ATOM 202 O PHE A 53 -7.543 -8.722 -3.505 1.00 0.00 O ATOM 203 CB PHE A 53 -8.209 -5.830 -1.832 1.00 0.00 C ATOM 204 CG PHE A 53 -7.630 -4.654 -1.049 1.00 0.00 C ATOM 205 CD1 PHE A 53 -7.690 -4.630 0.334 1.00 0.00 C ATOM 206 CD2 PHE A 53 -7.039 -3.593 -1.714 1.00 0.00 C ATOM 207 CE1 PHE A 53 -7.171 -3.561 1.036 1.00 0.00 C ATOM 208 CE2 PHE A 53 -6.521 -2.528 -1.010 1.00 0.00 C ATOM 209 CZ PHE A 53 -6.586 -2.511 0.363 1.00 0.00 C ATOM 0 H PHE A 53 -6.484 -6.520 -4.014 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.585 -7.090 -1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.564 -5.493 -2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.069 -6.244 -1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.145 -5.452 0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -6.984 -3.600 -2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.224 -3.548 2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.063 -1.705 -1.538 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.179 -1.676 0.913 1.00 0.00 H new ATOM 219 N VAL A 54 -8.677 -8.693 -1.593 1.00 0.00 N ATOM 220 CA VAL A 54 -9.402 -9.956 -1.914 1.00 0.00 C ATOM 221 C VAL A 54 -10.827 -9.912 -1.354 1.00 0.00 C ATOM 222 O VAL A 54 -11.747 -10.444 -1.942 1.00 0.00 O ATOM 223 CB VAL A 54 -8.638 -11.133 -1.256 1.00 0.00 C ATOM 224 CG1 VAL A 54 -8.967 -12.432 -1.999 1.00 0.00 C ATOM 225 CG2 VAL A 54 -7.132 -10.872 -1.347 1.00 0.00 C ATOM 0 H VAL A 54 -8.916 -8.273 -0.695 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.454 -10.081 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.936 -11.222 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.430 -13.261 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.039 -12.620 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.665 -12.341 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.591 -11.698 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.840 -10.787 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.891 -9.945 -0.827 1.00 0.00 H new ATOM 235 N ARG A 55 -10.977 -9.271 -0.217 1.00 0.00 N ATOM 236 CA ARG A 55 -12.329 -9.168 0.418 1.00 0.00 C ATOM 237 C ARG A 55 -12.970 -7.824 0.131 1.00 0.00 C ATOM 238 O ARG A 55 -12.300 -6.812 0.091 1.00 0.00 O ATOM 239 CB ARG A 55 -12.147 -9.275 1.946 1.00 0.00 C ATOM 240 CG ARG A 55 -11.715 -10.712 2.329 1.00 0.00 C ATOM 241 CD ARG A 55 -12.958 -11.593 2.527 1.00 0.00 C ATOM 242 NE ARG A 55 -13.716 -11.104 3.715 1.00 0.00 N ATOM 243 CZ ARG A 55 -14.629 -11.867 4.251 1.00 0.00 C ATOM 244 NH1 ARG A 55 -15.593 -12.322 3.497 1.00 0.00 N ATOM 245 NH2 ARG A 55 -14.548 -12.150 5.524 1.00 0.00 N ATOM 0 H ARG A 55 -10.222 -8.816 0.297 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.962 -9.960 0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.397 -8.559 2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.079 -9.020 2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.081 -11.132 1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.123 -10.692 3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.588 -11.560 1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.664 -12.633 2.670 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.522 -10.182 4.105 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.624 -12.080 2.507 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.316 -12.920 3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.780 -11.776 6.082 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.253 -12.745 5.960 1.00 0.00 H new ATOM 259 N ASN A 56 -14.261 -7.829 -0.066 1.00 0.00 N ATOM 260 CA ASN A 56 -14.940 -6.550 -0.343 1.00 0.00 C ATOM 261 C ASN A 56 -14.818 -5.666 0.880 1.00 0.00 C ATOM 262 O ASN A 56 -14.273 -6.080 1.877 1.00 0.00 O ATOM 263 CB ASN A 56 -16.428 -6.822 -0.621 1.00 0.00 C ATOM 264 CG ASN A 56 -17.091 -5.544 -1.138 1.00 0.00 C ATOM 265 OD1 ASN A 56 -17.515 -4.698 -0.375 1.00 0.00 O ATOM 266 ND2 ASN A 56 -17.202 -5.364 -2.425 1.00 0.00 N ATOM 0 H ASN A 56 -14.860 -8.655 -0.046 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.488 -6.062 -1.207 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.532 -7.621 -1.355 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -16.924 -7.159 0.289 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -17.642 -4.517 -2.785 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -16.848 -6.070 -3.071 1.00 0.00 H new ATOM 273 N HIS A 57 -15.339 -4.481 0.798 1.00 0.00 N ATOM 274 CA HIS A 57 -15.250 -3.562 1.963 1.00 0.00 C ATOM 275 C HIS A 57 -13.829 -3.013 2.079 1.00 0.00 C ATOM 276 O HIS A 57 -13.630 -1.817 2.101 1.00 0.00 O ATOM 277 CB HIS A 57 -15.676 -4.336 3.274 1.00 0.00 C ATOM 278 CG HIS A 57 -14.450 -4.766 4.110 1.00 0.00 C ATOM 279 ND1 HIS A 57 -14.117 -5.948 4.334 1.00 0.00 N ATOM 280 CD2 HIS A 57 -13.510 -3.989 4.758 1.00 0.00 C ATOM 281 CE1 HIS A 57 -13.072 -6.008 5.050 1.00 0.00 C ATOM 282 NE2 HIS A 57 -12.607 -4.801 5.375 1.00 0.00 N ATOM 0 H HIS A 57 -15.821 -4.107 -0.020 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.927 -2.719 1.826 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -16.323 -3.700 3.878 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -16.258 -5.217 3.003 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -14.622 -6.763 3.985 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -13.493 -2.909 4.773 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -12.610 -6.933 5.362 1.00 0.00 H new ATOM 290 N ASP A 58 -12.854 -3.896 2.149 1.00 0.00 N ATOM 291 CA ASP A 58 -11.463 -3.406 2.258 1.00 0.00 C ATOM 292 C ASP A 58 -11.196 -2.422 1.133 1.00 0.00 C ATOM 293 O ASP A 58 -10.546 -1.419 1.320 1.00 0.00 O ATOM 294 CB ASP A 58 -10.504 -4.602 2.120 1.00 0.00 C ATOM 295 CG ASP A 58 -10.997 -5.754 2.996 1.00 0.00 C ATOM 296 OD1 ASP A 58 -12.041 -6.283 2.656 1.00 0.00 O ATOM 297 OD2 ASP A 58 -10.300 -6.042 3.956 1.00 0.00 O ATOM 0 H ASP A 58 -12.969 -4.909 2.135 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.312 -2.916 3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.450 -4.920 1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.497 -4.310 2.417 1.00 0.00 H new ATOM 302 N LEU A 59 -11.722 -2.742 -0.022 1.00 0.00 N ATOM 303 CA LEU A 59 -11.534 -1.858 -1.198 1.00 0.00 C ATOM 304 C LEU A 59 -12.233 -0.521 -0.944 1.00 0.00 C ATOM 305 O LEU A 59 -11.726 0.529 -1.281 1.00 0.00 O ATOM 306 CB LEU A 59 -12.186 -2.572 -2.425 1.00 0.00 C ATOM 307 CG LEU A 59 -11.401 -2.265 -3.720 1.00 0.00 C ATOM 308 CD1 LEU A 59 -11.401 -0.747 -3.966 1.00 0.00 C ATOM 309 CD2 LEU A 59 -9.931 -2.799 -3.606 1.00 0.00 C ATOM 0 H LEU A 59 -12.274 -3.582 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.476 -1.669 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.209 -3.648 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.220 -2.244 -2.535 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.882 -2.766 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.848 -0.526 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.427 -0.395 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.928 -0.242 -3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.390 -2.575 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.433 -2.316 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.947 -3.877 -3.447 1.00 0.00 H new ATOM 321 N ILE A 60 -13.386 -0.595 -0.336 1.00 0.00 N ATOM 322 CA ILE A 60 -14.137 0.646 -0.045 1.00 0.00 C ATOM 323 C ILE A 60 -13.395 1.492 0.982 1.00 0.00 C ATOM 324 O ILE A 60 -13.183 2.671 0.778 1.00 0.00 O ATOM 325 CB ILE A 60 -15.524 0.252 0.499 1.00 0.00 C ATOM 326 CG1 ILE A 60 -16.382 -0.345 -0.643 1.00 0.00 C ATOM 327 CG2 ILE A 60 -16.234 1.519 1.044 1.00 0.00 C ATOM 328 CD1 ILE A 60 -17.510 -1.242 -0.056 1.00 0.00 C ATOM 0 H ILE A 60 -13.834 -1.460 -0.032 1.00 0.00 H new ATOM 0 HA ILE A 60 -14.241 1.237 -0.955 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.404 -0.485 1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.818 0.458 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.752 -0.931 -1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -17.216 1.248 1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.637 1.955 1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -16.349 2.246 0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -18.106 -1.656 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -17.066 -2.055 0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -18.149 -0.644 0.594 1.00 0.00 H new ATOM 340 N ARG A 61 -13.011 0.884 2.066 1.00 0.00 N ATOM 341 CA ARG A 61 -12.284 1.654 3.101 1.00 0.00 C ATOM 342 C ARG A 61 -10.898 2.005 2.594 1.00 0.00 C ATOM 343 O ARG A 61 -10.323 3.006 2.975 1.00 0.00 O ATOM 344 CB ARG A 61 -12.148 0.787 4.361 1.00 0.00 C ATOM 345 CG ARG A 61 -11.355 1.565 5.419 1.00 0.00 C ATOM 346 CD ARG A 61 -11.449 0.835 6.763 1.00 0.00 C ATOM 347 NE ARG A 61 -10.351 1.319 7.655 1.00 0.00 N ATOM 348 CZ ARG A 61 -10.516 2.418 8.347 1.00 0.00 C ATOM 349 NH1 ARG A 61 -11.066 2.342 9.527 1.00 0.00 N ATOM 350 NH2 ARG A 61 -10.125 3.551 7.832 1.00 0.00 N ATOM 0 H ARG A 61 -13.168 -0.102 2.277 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.832 2.568 3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.134 0.525 4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.641 -0.148 4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.312 1.656 5.114 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.749 2.577 5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.419 1.019 7.225 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.366 -0.242 6.614 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.478 0.796 7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.359 1.437 9.896 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.203 3.187 10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.699 3.570 6.905 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.245 4.418 8.356 1.00 0.00 H new ATOM 364 N HIS A 62 -10.386 1.166 1.736 1.00 0.00 N ATOM 365 CA HIS A 62 -9.041 1.416 1.180 1.00 0.00 C ATOM 366 C HIS A 62 -9.064 2.663 0.302 1.00 0.00 C ATOM 367 O HIS A 62 -8.177 3.490 0.366 1.00 0.00 O ATOM 368 CB HIS A 62 -8.656 0.198 0.319 1.00 0.00 C ATOM 369 CG HIS A 62 -7.510 0.551 -0.629 1.00 0.00 C ATOM 370 ND1 HIS A 62 -6.297 0.478 -0.348 1.00 0.00 N ATOM 371 CD2 HIS A 62 -7.569 1.055 -1.911 1.00 0.00 C ATOM 372 CE1 HIS A 62 -5.574 0.888 -1.304 1.00 0.00 C ATOM 373 NE2 HIS A 62 -6.298 1.285 -2.355 1.00 0.00 N ATOM 0 H HIS A 62 -10.846 0.320 1.400 1.00 0.00 H new ATOM 0 HA HIS A 62 -8.323 1.567 1.986 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.361 -0.631 0.963 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -9.520 -0.136 -0.255 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.933 0.132 0.540 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.473 1.238 -2.473 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.495 0.914 -1.273 1.00 0.00 H new ATOM 381 N LYS A 63 -10.081 2.769 -0.509 1.00 0.00 N ATOM 382 CA LYS A 63 -10.178 3.943 -1.394 1.00 0.00 C ATOM 383 C LYS A 63 -10.155 5.235 -0.579 1.00 0.00 C ATOM 384 O LYS A 63 -9.856 6.291 -1.098 1.00 0.00 O ATOM 385 CB LYS A 63 -11.496 3.839 -2.178 1.00 0.00 C ATOM 386 CG LYS A 63 -11.752 5.148 -2.938 1.00 0.00 C ATOM 387 CD LYS A 63 -12.865 4.921 -3.964 1.00 0.00 C ATOM 388 CE LYS A 63 -13.356 6.276 -4.479 1.00 0.00 C ATOM 389 NZ LYS A 63 -13.954 7.071 -3.371 1.00 0.00 N ATOM 0 H LYS A 63 -10.840 2.093 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.328 3.964 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.449 3.004 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.321 3.636 -1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.037 5.937 -2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.841 5.477 -3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.495 4.316 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.689 4.371 -3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.525 6.826 -4.922 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.095 6.126 -5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.672 7.718 -3.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.399 6.429 -2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.210 7.622 -2.898 1.00 0.00 H new ATOM 403 N LYS A 64 -10.471 5.126 0.682 1.00 0.00 N ATOM 404 CA LYS A 64 -10.467 6.338 1.532 1.00 0.00 C ATOM 405 C LYS A 64 -9.034 6.787 1.785 1.00 0.00 C ATOM 406 O LYS A 64 -8.780 7.936 2.084 1.00 0.00 O ATOM 407 CB LYS A 64 -11.141 5.995 2.876 1.00 0.00 C ATOM 408 CG LYS A 64 -11.583 7.292 3.561 1.00 0.00 C ATOM 409 CD LYS A 64 -11.971 6.992 5.015 1.00 0.00 C ATOM 410 CE LYS A 64 -13.142 5.999 5.039 1.00 0.00 C ATOM 411 NZ LYS A 64 -13.841 6.050 6.354 1.00 0.00 N ATOM 0 H LYS A 64 -10.728 4.258 1.152 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.007 7.142 1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.001 5.345 2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.448 5.449 3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.777 8.025 3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.429 7.727 3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.118 6.577 5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.251 7.914 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.843 6.235 4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.775 4.990 4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.630 5.373 6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.173 5.803 7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.208 7.010 6.515 1.00 0.00 H new ATOM 425 N SER A 65 -8.122 5.859 1.661 1.00 0.00 N ATOM 426 CA SER A 65 -6.699 6.199 1.887 1.00 0.00 C ATOM 427 C SER A 65 -6.226 7.195 0.841 1.00 0.00 C ATOM 428 O SER A 65 -5.516 8.135 1.146 1.00 0.00 O ATOM 429 CB SER A 65 -5.868 4.914 1.755 1.00 0.00 C ATOM 430 OG SER A 65 -4.545 5.320 2.073 1.00 0.00 O ATOM 0 H SER A 65 -8.306 4.887 1.414 1.00 0.00 H new ATOM 0 HA SER A 65 -6.583 6.638 2.878 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.221 4.140 2.436 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.927 4.503 0.747 1.00 0.00 H new ATOM 0 HG SER A 65 -3.943 4.549 2.013 1.00 0.00 H new ATOM 436 N HIS A 66 -6.629 6.971 -0.381 1.00 0.00 N ATOM 437 CA HIS A 66 -6.218 7.891 -1.463 1.00 0.00 C ATOM 438 C HIS A 66 -6.767 9.287 -1.208 1.00 0.00 C ATOM 439 O HIS A 66 -6.022 10.239 -1.086 1.00 0.00 O ATOM 440 CB HIS A 66 -6.790 7.360 -2.790 1.00 0.00 C ATOM 441 CG HIS A 66 -6.032 6.087 -3.194 1.00 0.00 C ATOM 442 ND1 HIS A 66 -4.799 6.011 -3.352 1.00 0.00 N ATOM 443 CD2 HIS A 66 -6.511 4.811 -3.434 1.00 0.00 C ATOM 444 CE1 HIS A 66 -4.442 4.833 -3.661 1.00 0.00 C ATOM 445 NE2 HIS A 66 -5.474 3.991 -3.734 1.00 0.00 N ATOM 0 H HIS A 66 -7.222 6.193 -0.669 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.130 7.945 -1.503 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.853 7.145 -2.681 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.695 8.116 -3.569 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -4.157 6.797 -3.246 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.549 4.515 -3.389 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.417 4.545 -3.844 1.00 0.00 H new ATOM 453 N GLN A 67 -8.063 9.381 -1.135 1.00 0.00 N ATOM 454 CA GLN A 67 -8.692 10.694 -0.889 1.00 0.00 C ATOM 455 C GLN A 67 -8.497 11.620 -2.084 1.00 0.00 C ATOM 456 O GLN A 67 -7.407 12.094 -2.338 1.00 0.00 O ATOM 457 CB GLN A 67 -8.039 11.325 0.374 1.00 0.00 C ATOM 458 CG GLN A 67 -9.065 12.228 1.087 1.00 0.00 C ATOM 459 CD GLN A 67 -10.007 11.365 1.933 1.00 0.00 C ATOM 460 OE1 GLN A 67 -11.179 11.233 1.640 1.00 0.00 O ATOM 461 NE2 GLN A 67 -9.536 10.763 2.992 1.00 0.00 N ATOM 0 H GLN A 67 -8.711 8.600 -1.236 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.763 10.558 -0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.697 10.541 1.050 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.162 11.907 0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.551 12.951 1.720 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.636 12.796 0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.553 10.869 3.244 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.151 10.187 3.567 1.00 0.00 H new ATOM 470 N GLU A 68 -9.563 11.846 -2.797 1.00 0.00 N ATOM 471 CA GLU A 68 -9.489 12.738 -3.989 1.00 0.00 C ATOM 472 C GLU A 68 -8.612 13.963 -3.717 1.00 0.00 C ATOM 473 O GLU A 68 -8.123 14.594 -4.633 1.00 0.00 O ATOM 474 CB GLU A 68 -10.916 13.215 -4.313 1.00 0.00 C ATOM 475 CG GLU A 68 -10.893 14.069 -5.583 1.00 0.00 C ATOM 476 CD GLU A 68 -12.326 14.451 -5.956 1.00 0.00 C ATOM 477 OE1 GLU A 68 -13.166 13.574 -5.849 1.00 0.00 O ATOM 478 OE2 GLU A 68 -12.499 15.601 -6.328 1.00 0.00 O ATOM 0 H GLU A 68 -10.484 11.452 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.052 12.184 -4.819 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.575 12.358 -4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.315 13.794 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.295 14.966 -5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.427 13.517 -6.399 1.00 0.00 H new ATOM 485 N LYS A 69 -8.432 14.275 -2.462 1.00 0.00 N ATOM 486 CA LYS A 69 -7.595 15.451 -2.115 1.00 0.00 C ATOM 487 C LYS A 69 -6.117 15.169 -2.369 1.00 0.00 C ATOM 488 O LYS A 69 -5.645 14.070 -2.154 1.00 0.00 O ATOM 489 CB LYS A 69 -7.788 15.757 -0.622 1.00 0.00 C ATOM 490 CG LYS A 69 -9.172 16.378 -0.412 1.00 0.00 C ATOM 491 CD LYS A 69 -9.322 16.793 1.057 1.00 0.00 C ATOM 492 CE LYS A 69 -10.510 17.750 1.193 1.00 0.00 C ATOM 493 NZ LYS A 69 -10.625 18.243 2.594 1.00 0.00 N ATOM 0 H LYS A 69 -8.827 13.768 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.898 16.295 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.693 14.843 -0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.013 16.440 -0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.297 17.244 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.949 15.663 -0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.476 15.913 1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.409 17.276 1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.385 18.593 0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.429 17.241 0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.435 18.891 2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.766 17.437 3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.754 18.747 2.857 1.00 0.00 H new ATOM 507 N ALA A 70 -5.413 16.174 -2.819 1.00 0.00 N ATOM 508 CA ALA A 70 -3.965 15.991 -3.094 1.00 0.00 C ATOM 509 C ALA A 70 -3.307 17.325 -3.427 1.00 0.00 C ATOM 510 O ALA A 70 -2.096 17.379 -3.298 1.00 0.00 O ATOM 511 CB ALA A 70 -3.811 15.052 -4.300 1.00 0.00 C ATOM 512 OXT ALA A 70 -4.053 18.220 -3.792 1.00 0.00 O ATOM 0 H ALA A 70 -5.779 17.108 -3.006 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.486 15.572 -2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.752 14.907 -4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.270 14.090 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.301 15.492 -5.169 1.00 0.00 H new TER 518 ALA A 70 HETATM 519 ZN ZN A 71 -5.756 2.051 -4.122 1.00 0.00 ZN