USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=8 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 -175:sc= -2.35! USER MOD Set 1.2: A 56 ASN : amide:sc= -4.57! C(o=-6.9!,f=-9.6!) USER MOD Single : A 43 SER OG : rot 17:sc= 1.17 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -9.7! C(o=-11!,f=-9.7!) USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= -1.29 (180deg=-1.83) USER MOD Single : A 57 HIS : no HD1:sc= -0.475 X(o=-0.47,f=-0.48) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.183 (180deg=-0.855) USER MOD Single : A 64 LYS NZ :NH3+ -137:sc= -0.253 (180deg=-2.95!) USER MOD Single : A 65 SER OG : rot -67:sc= 0.709 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 69 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.108) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 39 -7.272 -14.807 -7.367 1.00 0.00 N ATOM 2 CA ASP A 39 -6.367 -14.659 -6.202 1.00 0.00 C ATOM 3 C ASP A 39 -6.204 -13.185 -5.849 1.00 0.00 C ATOM 4 O ASP A 39 -5.566 -12.440 -6.565 1.00 0.00 O ATOM 5 CB ASP A 39 -4.981 -15.236 -6.538 1.00 0.00 C ATOM 6 CG ASP A 39 -5.132 -16.687 -7.001 1.00 0.00 C ATOM 7 OD1 ASP A 39 -6.265 -17.057 -7.264 1.00 0.00 O ATOM 8 OD2 ASP A 39 -4.106 -17.343 -7.065 1.00 0.00 O ATOM 0 HA ASP A 39 -6.801 -15.196 -5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.507 -14.641 -7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.333 -15.188 -5.663 1.00 0.00 H new ATOM 15 N ARG A 40 -6.784 -12.792 -4.747 1.00 0.00 N ATOM 16 CA ARG A 40 -6.674 -11.371 -4.330 1.00 0.00 C ATOM 17 C ARG A 40 -7.002 -10.427 -5.496 1.00 0.00 C ATOM 18 O ARG A 40 -6.136 -9.736 -5.997 1.00 0.00 O ATOM 19 CB ARG A 40 -5.222 -11.118 -3.884 1.00 0.00 C ATOM 20 CG ARG A 40 -4.999 -11.761 -2.508 1.00 0.00 C ATOM 21 CD ARG A 40 -3.493 -11.881 -2.236 1.00 0.00 C ATOM 22 NE ARG A 40 -2.960 -13.065 -2.968 1.00 0.00 N ATOM 23 CZ ARG A 40 -1.687 -13.346 -2.892 1.00 0.00 C ATOM 24 NH1 ARG A 40 -1.194 -13.734 -1.747 1.00 0.00 N ATOM 25 NH2 ARG A 40 -0.951 -13.228 -3.962 1.00 0.00 N ATOM 0 H ARG A 40 -7.325 -13.391 -4.123 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.380 -11.179 -3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.527 -11.537 -4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.025 -10.047 -3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.472 -11.159 -1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.465 -12.746 -2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.979 -10.976 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.311 -11.986 -1.166 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.584 -13.650 -3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.801 -13.813 -0.931 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.202 -13.958 -1.668 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.372 -12.921 -4.839 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.045 -13.443 -3.922 1.00 0.00 H new ATOM 39 N PRO A 41 -8.265 -10.414 -5.912 1.00 0.00 N ATOM 40 CA PRO A 41 -8.689 -9.556 -7.013 1.00 0.00 C ATOM 41 C PRO A 41 -8.707 -8.069 -6.585 1.00 0.00 C ATOM 42 O PRO A 41 -7.711 -7.394 -6.717 1.00 0.00 O ATOM 43 CB PRO A 41 -10.127 -10.062 -7.375 1.00 0.00 C ATOM 44 CG PRO A 41 -10.573 -11.025 -6.220 1.00 0.00 C ATOM 45 CD PRO A 41 -9.327 -11.263 -5.324 1.00 0.00 C ATOM 0 HA PRO A 41 -8.010 -9.609 -7.864 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.819 -9.225 -7.469 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.124 -10.582 -8.333 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.386 -10.585 -5.642 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.944 -11.967 -6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.526 -10.986 -4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.037 -12.314 -5.322 1.00 0.00 H new ATOM 53 N TYR A 42 -9.857 -7.620 -6.071 1.00 0.00 N ATOM 54 CA TYR A 42 -10.035 -6.186 -5.604 1.00 0.00 C ATOM 55 C TYR A 42 -8.759 -5.368 -5.681 1.00 0.00 C ATOM 56 O TYR A 42 -8.184 -4.995 -4.680 1.00 0.00 O ATOM 57 CB TYR A 42 -10.549 -6.201 -4.140 1.00 0.00 C ATOM 58 CG TYR A 42 -12.057 -6.469 -4.143 1.00 0.00 C ATOM 59 CD1 TYR A 42 -12.935 -5.485 -4.544 1.00 0.00 C ATOM 60 CD2 TYR A 42 -12.556 -7.694 -3.756 1.00 0.00 C ATOM 61 CE1 TYR A 42 -14.293 -5.719 -4.559 1.00 0.00 C ATOM 62 CE2 TYR A 42 -13.917 -7.931 -3.771 1.00 0.00 C ATOM 63 CZ TYR A 42 -14.796 -6.944 -4.173 1.00 0.00 C ATOM 64 OH TYR A 42 -16.156 -7.180 -4.190 1.00 0.00 O ATOM 0 H TYR A 42 -10.688 -8.200 -5.957 1.00 0.00 H new ATOM 0 HA TYR A 42 -10.752 -5.711 -6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -10.031 -6.970 -3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -10.337 -5.247 -3.657 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.555 -4.521 -4.849 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -11.879 -8.473 -3.439 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.968 -4.938 -4.875 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -14.297 -8.895 -3.466 1.00 0.00 H new ATOM 0 HH TYR A 42 -16.339 -8.066 -3.813 1.00 0.00 H new ATOM 74 N SER A 43 -8.352 -5.108 -6.881 1.00 0.00 N ATOM 75 CA SER A 43 -7.109 -4.309 -7.098 1.00 0.00 C ATOM 76 C SER A 43 -7.461 -2.857 -7.400 1.00 0.00 C ATOM 77 O SER A 43 -7.615 -2.480 -8.546 1.00 0.00 O ATOM 78 CB SER A 43 -6.365 -4.897 -8.304 1.00 0.00 C ATOM 79 OG SER A 43 -5.884 -6.150 -7.838 1.00 0.00 O ATOM 0 H SER A 43 -8.824 -5.413 -7.732 1.00 0.00 H new ATOM 0 HA SER A 43 -6.491 -4.346 -6.201 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.028 -5.018 -9.161 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.548 -4.250 -8.622 1.00 0.00 H new ATOM 0 HG SER A 43 -6.372 -6.407 -7.028 1.00 0.00 H new ATOM 85 N CYS A 44 -7.580 -2.066 -6.366 1.00 0.00 N ATOM 86 CA CYS A 44 -7.923 -0.632 -6.576 1.00 0.00 C ATOM 87 C CYS A 44 -7.115 -0.037 -7.720 1.00 0.00 C ATOM 88 O CYS A 44 -6.032 -0.496 -8.025 1.00 0.00 O ATOM 89 CB CYS A 44 -7.595 0.142 -5.288 1.00 0.00 C ATOM 90 SG CYS A 44 -7.094 1.871 -5.455 1.00 0.00 S ATOM 0 H CYS A 44 -7.455 -2.349 -5.394 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.982 -0.557 -6.822 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -8.473 0.107 -4.643 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.797 -0.390 -4.770 1.00 0.00 H new ATOM 95 N ASP A 45 -7.667 0.984 -8.335 1.00 0.00 N ATOM 96 CA ASP A 45 -6.965 1.654 -9.474 1.00 0.00 C ATOM 97 C ASP A 45 -6.762 3.131 -9.181 1.00 0.00 C ATOM 98 O ASP A 45 -6.998 3.971 -10.026 1.00 0.00 O ATOM 99 CB ASP A 45 -7.851 1.519 -10.724 1.00 0.00 C ATOM 100 CG ASP A 45 -9.294 1.867 -10.359 1.00 0.00 C ATOM 101 OD1 ASP A 45 -9.865 1.089 -9.612 1.00 0.00 O ATOM 102 OD2 ASP A 45 -9.746 2.891 -10.846 1.00 0.00 O ATOM 0 H ASP A 45 -8.575 1.382 -8.095 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.991 1.188 -9.625 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.493 2.182 -11.511 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.797 0.503 -11.114 1.00 0.00 H new ATOM 107 N HIS A 46 -6.328 3.426 -7.986 1.00 0.00 N ATOM 108 CA HIS A 46 -6.106 4.838 -7.627 1.00 0.00 C ATOM 109 C HIS A 46 -4.847 5.354 -8.371 1.00 0.00 C ATOM 110 O HIS A 46 -3.881 4.629 -8.494 1.00 0.00 O ATOM 111 CB HIS A 46 -5.877 4.883 -6.100 1.00 0.00 C ATOM 112 CG HIS A 46 -5.415 6.272 -5.668 1.00 0.00 C ATOM 113 ND1 HIS A 46 -4.139 6.771 -5.541 1.00 0.00 N flip ATOM 114 CD2 HIS A 46 -6.173 7.203 -5.333 1.00 0.00 C flip ATOM 115 CE1 HIS A 46 -4.203 8.059 -5.108 1.00 0.00 C flip ATOM 116 NE2 HIS A 46 -5.519 8.238 -5.006 1.00 0.00 N flip ATOM 0 H HIS A 46 -6.121 2.748 -7.252 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.955 5.463 -7.905 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.799 4.622 -5.580 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.131 4.141 -5.816 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.251 7.136 -5.323 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.401 8.752 -4.902 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.951 9.109 -4.699 1.00 0.00 H new ATOM 124 N PRO A 47 -4.866 6.602 -8.864 1.00 0.00 N ATOM 125 CA PRO A 47 -3.708 7.135 -9.574 1.00 0.00 C ATOM 126 C PRO A 47 -2.400 6.794 -8.855 1.00 0.00 C ATOM 127 O PRO A 47 -1.962 7.507 -7.974 1.00 0.00 O ATOM 128 CB PRO A 47 -3.947 8.674 -9.628 1.00 0.00 C ATOM 129 CG PRO A 47 -5.437 8.914 -9.201 1.00 0.00 C ATOM 130 CD PRO A 47 -5.994 7.548 -8.716 1.00 0.00 C ATOM 0 HA PRO A 47 -3.608 6.703 -10.570 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.264 9.196 -8.958 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.765 9.059 -10.631 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.496 9.659 -8.407 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.022 9.294 -10.038 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.330 7.604 -7.680 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.851 7.237 -9.313 1.00 0.00 H new ATOM 138 N GLY A 48 -1.800 5.698 -9.258 1.00 0.00 N ATOM 139 CA GLY A 48 -0.513 5.271 -8.624 1.00 0.00 C ATOM 140 C GLY A 48 -0.776 4.323 -7.450 1.00 0.00 C ATOM 141 O GLY A 48 -0.607 4.692 -6.304 1.00 0.00 O ATOM 0 H GLY A 48 -2.145 5.084 -9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.116 4.776 -9.364 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.034 6.147 -8.275 1.00 0.00 H new ATOM 145 N CYS A 49 -1.185 3.114 -7.757 1.00 0.00 N ATOM 146 CA CYS A 49 -1.459 2.137 -6.667 1.00 0.00 C ATOM 147 C CYS A 49 -1.385 0.704 -7.170 1.00 0.00 C ATOM 148 O CYS A 49 -1.447 0.449 -8.356 1.00 0.00 O ATOM 149 CB CYS A 49 -2.874 2.384 -6.132 1.00 0.00 C ATOM 150 SG CYS A 49 -3.461 1.283 -4.815 1.00 0.00 S ATOM 0 H CYS A 49 -1.338 2.769 -8.705 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.707 2.273 -5.890 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.923 3.409 -5.764 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.570 2.313 -6.968 1.00 0.00 H new ATOM 155 N ASP A 50 -1.250 -0.203 -6.245 1.00 0.00 N ATOM 156 CA ASP A 50 -1.168 -1.635 -6.615 1.00 0.00 C ATOM 157 C ASP A 50 -1.404 -2.505 -5.384 1.00 0.00 C ATOM 158 O ASP A 50 -0.991 -3.649 -5.335 1.00 0.00 O ATOM 159 CB ASP A 50 0.243 -1.917 -7.176 1.00 0.00 C ATOM 160 CG ASP A 50 0.301 -1.483 -8.643 1.00 0.00 C ATOM 161 OD1 ASP A 50 -0.420 -2.093 -9.416 1.00 0.00 O ATOM 162 OD2 ASP A 50 1.062 -0.567 -8.906 1.00 0.00 O ATOM 0 H ASP A 50 -1.193 -0.010 -5.245 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.927 -1.866 -7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.992 -1.378 -6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.476 -2.978 -7.089 1.00 0.00 H new ATOM 167 N LYS A 51 -2.071 -1.941 -4.407 1.00 0.00 N ATOM 168 CA LYS A 51 -2.351 -2.707 -3.166 1.00 0.00 C ATOM 169 C LYS A 51 -3.532 -3.660 -3.368 1.00 0.00 C ATOM 170 O LYS A 51 -4.676 -3.268 -3.252 1.00 0.00 O ATOM 171 CB LYS A 51 -2.687 -1.691 -2.043 1.00 0.00 C ATOM 172 CG LYS A 51 -2.349 -2.309 -0.670 1.00 0.00 C ATOM 173 CD LYS A 51 -2.489 -1.243 0.434 1.00 0.00 C ATOM 174 CE LYS A 51 -1.461 -0.104 0.216 1.00 0.00 C ATOM 175 NZ LYS A 51 -0.237 -0.607 -0.469 1.00 0.00 N ATOM 0 H LYS A 51 -2.430 -0.986 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.479 -3.305 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.120 -0.771 -2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.743 -1.425 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.015 -3.147 -0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.333 -2.704 -0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.500 -0.835 0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.334 -1.700 1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.914 0.689 -0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.190 0.333 1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.540 0.071 -0.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.033 -1.527 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.428 -0.717 -1.485 1.00 0.00 H new ATOM 189 N ALA A 52 -3.228 -4.895 -3.669 1.00 0.00 N ATOM 190 CA ALA A 52 -4.313 -5.888 -3.882 1.00 0.00 C ATOM 191 C ALA A 52 -5.110 -6.113 -2.611 1.00 0.00 C ATOM 192 O ALA A 52 -4.718 -5.690 -1.541 1.00 0.00 O ATOM 193 CB ALA A 52 -3.674 -7.216 -4.300 1.00 0.00 C ATOM 0 H ALA A 52 -2.279 -5.255 -3.775 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.988 -5.511 -4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.454 -7.960 -4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.111 -7.074 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.002 -7.560 -3.514 1.00 0.00 H new ATOM 199 N PHE A 53 -6.223 -6.781 -2.755 1.00 0.00 N ATOM 200 CA PHE A 53 -7.086 -7.059 -1.567 1.00 0.00 C ATOM 201 C PHE A 53 -7.839 -8.380 -1.730 1.00 0.00 C ATOM 202 O PHE A 53 -7.919 -8.926 -2.813 1.00 0.00 O ATOM 203 CB PHE A 53 -8.111 -5.911 -1.447 1.00 0.00 C ATOM 204 CG PHE A 53 -7.457 -4.723 -0.737 1.00 0.00 C ATOM 205 CD1 PHE A 53 -7.290 -4.731 0.638 1.00 0.00 C ATOM 206 CD2 PHE A 53 -7.015 -3.630 -1.460 1.00 0.00 C ATOM 207 CE1 PHE A 53 -6.691 -3.663 1.274 1.00 0.00 C ATOM 208 CE2 PHE A 53 -6.417 -2.566 -0.822 1.00 0.00 C ATOM 209 CZ PHE A 53 -6.255 -2.581 0.544 1.00 0.00 C ATOM 0 H PHE A 53 -6.573 -7.146 -3.641 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.461 -7.130 -0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.458 -5.612 -2.436 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.986 -6.246 -0.890 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.630 -5.578 1.215 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.140 -3.611 -2.533 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.564 -3.676 2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.074 -1.718 -1.396 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.787 -1.745 1.043 1.00 0.00 H new ATOM 219 N VAL A 54 -8.382 -8.866 -0.634 1.00 0.00 N ATOM 220 CA VAL A 54 -9.145 -10.155 -0.676 1.00 0.00 C ATOM 221 C VAL A 54 -10.642 -9.896 -0.569 1.00 0.00 C ATOM 222 O VAL A 54 -11.418 -10.377 -1.372 1.00 0.00 O ATOM 223 CB VAL A 54 -8.716 -11.007 0.530 1.00 0.00 C ATOM 224 CG1 VAL A 54 -9.532 -12.303 0.547 1.00 0.00 C ATOM 225 CG2 VAL A 54 -7.233 -11.348 0.402 1.00 0.00 C ATOM 0 H VAL A 54 -8.329 -8.425 0.284 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.937 -10.663 -1.618 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.888 -10.452 1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.232 -12.911 1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.593 -12.064 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.353 -12.858 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.924 -11.952 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.066 -11.907 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.649 -10.428 0.378 1.00 0.00 H new ATOM 235 N ARG A 55 -11.023 -9.138 0.427 1.00 0.00 N ATOM 236 CA ARG A 55 -12.465 -8.830 0.610 1.00 0.00 C ATOM 237 C ARG A 55 -12.889 -7.682 -0.290 1.00 0.00 C ATOM 238 O ARG A 55 -12.120 -7.207 -1.102 1.00 0.00 O ATOM 239 CB ARG A 55 -12.690 -8.412 2.072 1.00 0.00 C ATOM 240 CG ARG A 55 -12.282 -9.564 2.993 1.00 0.00 C ATOM 241 CD ARG A 55 -12.174 -9.045 4.429 1.00 0.00 C ATOM 242 NE ARG A 55 -12.146 -10.207 5.362 1.00 0.00 N ATOM 243 CZ ARG A 55 -11.122 -11.020 5.347 1.00 0.00 C ATOM 244 NH1 ARG A 55 -9.971 -10.578 4.916 1.00 0.00 N ATOM 245 NH2 ARG A 55 -11.286 -12.246 5.762 1.00 0.00 N ATOM 0 H ARG A 55 -10.397 -8.722 1.117 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.052 -9.713 0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.105 -7.522 2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.737 -8.156 2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.017 -10.367 2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.328 -9.982 2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.271 -8.446 4.546 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.019 -8.397 4.660 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.920 -10.367 6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.882 -9.613 4.598 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.161 -11.198 4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.201 -12.555 6.090 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.499 -12.895 5.758 1.00 0.00 H new ATOM 259 N ASN A 56 -14.118 -7.251 -0.130 1.00 0.00 N ATOM 260 CA ASN A 56 -14.629 -6.124 -0.969 1.00 0.00 C ATOM 261 C ASN A 56 -14.594 -4.817 -0.195 1.00 0.00 C ATOM 262 O ASN A 56 -13.963 -3.865 -0.610 1.00 0.00 O ATOM 263 CB ASN A 56 -16.085 -6.431 -1.347 1.00 0.00 C ATOM 264 CG ASN A 56 -16.601 -5.343 -2.292 1.00 0.00 C ATOM 265 OD1 ASN A 56 -15.946 -4.347 -2.526 1.00 0.00 O ATOM 266 ND2 ASN A 56 -17.770 -5.495 -2.852 1.00 0.00 N ATOM 0 H ASN A 56 -14.785 -7.630 0.542 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.002 -6.023 -1.855 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.150 -7.407 -1.827 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -16.704 -6.475 -0.451 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -18.130 -4.779 -3.483 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -18.324 -6.330 -2.659 1.00 0.00 H new ATOM 273 N HIS A 57 -15.269 -4.790 0.922 1.00 0.00 N ATOM 274 CA HIS A 57 -15.281 -3.547 1.732 1.00 0.00 C ATOM 275 C HIS A 57 -13.872 -2.997 1.893 1.00 0.00 C ATOM 276 O HIS A 57 -13.671 -1.800 1.923 1.00 0.00 O ATOM 277 CB HIS A 57 -15.852 -3.877 3.121 1.00 0.00 C ATOM 278 CG HIS A 57 -17.086 -4.766 2.961 1.00 0.00 C ATOM 279 ND1 HIS A 57 -17.264 -5.851 3.552 1.00 0.00 N ATOM 280 CD2 HIS A 57 -18.209 -4.584 2.177 1.00 0.00 C ATOM 281 CE1 HIS A 57 -18.372 -6.378 3.232 1.00 0.00 C ATOM 282 NE2 HIS A 57 -19.051 -5.639 2.354 1.00 0.00 N ATOM 0 H HIS A 57 -15.807 -5.569 1.303 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.892 -2.797 1.229 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -15.100 -4.384 3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -16.116 -2.959 3.646 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -18.390 -3.740 1.528 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -18.726 -7.319 3.626 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -19.960 -5.817 1.928 1.00 0.00 H new ATOM 290 N ASP A 58 -12.914 -3.882 1.992 1.00 0.00 N ATOM 291 CA ASP A 58 -11.516 -3.418 2.149 1.00 0.00 C ATOM 292 C ASP A 58 -11.196 -2.373 1.093 1.00 0.00 C ATOM 293 O ASP A 58 -10.619 -1.351 1.383 1.00 0.00 O ATOM 294 CB ASP A 58 -10.579 -4.620 1.959 1.00 0.00 C ATOM 295 CG ASP A 58 -10.667 -5.529 3.188 1.00 0.00 C ATOM 296 OD1 ASP A 58 -11.659 -5.400 3.885 1.00 0.00 O ATOM 297 OD2 ASP A 58 -9.738 -6.300 3.359 1.00 0.00 O ATOM 0 H ASP A 58 -13.043 -4.894 1.971 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.384 -2.981 3.139 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.856 -5.174 1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.554 -4.278 1.818 1.00 0.00 H new ATOM 302 N LEU A 59 -11.589 -2.660 -0.119 1.00 0.00 N ATOM 303 CA LEU A 59 -11.332 -1.709 -1.229 1.00 0.00 C ATOM 304 C LEU A 59 -12.084 -0.400 -0.984 1.00 0.00 C ATOM 305 O LEU A 59 -11.565 0.674 -1.217 1.00 0.00 O ATOM 306 CB LEU A 59 -11.845 -2.385 -2.534 1.00 0.00 C ATOM 307 CG LEU A 59 -11.003 -1.945 -3.749 1.00 0.00 C ATOM 308 CD1 LEU A 59 -11.082 -0.412 -3.896 1.00 0.00 C ATOM 309 CD2 LEU A 59 -9.515 -2.410 -3.576 1.00 0.00 C ATOM 0 H LEU A 59 -12.078 -3.515 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.270 -1.475 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.800 -3.469 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.891 -2.124 -2.697 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.399 -2.409 -4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.488 -0.098 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.120 -0.114 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.694 0.061 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.932 -2.093 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.097 -1.964 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.481 -3.496 -3.494 1.00 0.00 H new ATOM 321 N ILE A 60 -13.291 -0.514 -0.502 1.00 0.00 N ATOM 322 CA ILE A 60 -14.079 0.709 -0.238 1.00 0.00 C ATOM 323 C ILE A 60 -13.435 1.494 0.901 1.00 0.00 C ATOM 324 O ILE A 60 -13.488 2.708 0.932 1.00 0.00 O ATOM 325 CB ILE A 60 -15.522 0.292 0.151 1.00 0.00 C ATOM 326 CG1 ILE A 60 -16.305 -0.111 -1.099 1.00 0.00 C ATOM 327 CG2 ILE A 60 -16.257 1.491 0.796 1.00 0.00 C ATOM 328 CD1 ILE A 60 -15.528 -1.170 -1.881 1.00 0.00 C ATOM 0 H ILE A 60 -13.757 -1.395 -0.283 1.00 0.00 H new ATOM 0 HA ILE A 60 -14.106 1.340 -1.126 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.461 -0.543 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -17.283 -0.500 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -16.479 0.763 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -17.270 1.194 1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.720 1.809 1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -16.299 2.317 0.086 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -16.092 -1.452 -2.770 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -14.560 -0.766 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.377 -2.048 -1.253 1.00 0.00 H new ATOM 340 N ARG A 61 -12.837 0.779 1.820 1.00 0.00 N ATOM 341 CA ARG A 61 -12.179 1.455 2.970 1.00 0.00 C ATOM 342 C ARG A 61 -10.747 1.852 2.601 1.00 0.00 C ATOM 343 O ARG A 61 -10.184 2.764 3.175 1.00 0.00 O ATOM 344 CB ARG A 61 -12.156 0.461 4.164 1.00 0.00 C ATOM 345 CG ARG A 61 -12.182 1.245 5.489 1.00 0.00 C ATOM 346 CD ARG A 61 -12.286 0.263 6.666 1.00 0.00 C ATOM 347 NE ARG A 61 -12.826 0.987 7.853 1.00 0.00 N ATOM 348 CZ ARG A 61 -14.072 1.382 7.854 1.00 0.00 C ATOM 349 NH1 ARG A 61 -15.005 0.529 8.179 1.00 0.00 N ATOM 350 NH2 ARG A 61 -14.342 2.616 7.528 1.00 0.00 N ATOM 0 H ARG A 61 -12.778 -0.239 1.821 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.728 2.358 3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.014 -0.209 4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.262 -0.161 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.279 1.848 5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.028 1.933 5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.937 -0.571 6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.306 -0.157 6.894 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.227 1.172 8.658 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.757 -0.429 8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.983 0.820 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.587 3.254 7.278 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.308 2.942 7.523 1.00 0.00 H new ATOM 364 N HIS A 62 -10.183 1.149 1.640 1.00 0.00 N ATOM 365 CA HIS A 62 -8.790 1.465 1.213 1.00 0.00 C ATOM 366 C HIS A 62 -8.802 2.590 0.172 1.00 0.00 C ATOM 367 O HIS A 62 -7.817 3.274 -0.015 1.00 0.00 O ATOM 368 CB HIS A 62 -8.152 0.169 0.608 1.00 0.00 C ATOM 369 CG HIS A 62 -7.054 0.524 -0.413 1.00 0.00 C ATOM 370 ND1 HIS A 62 -5.826 0.367 -0.232 1.00 0.00 N ATOM 371 CD2 HIS A 62 -7.175 1.109 -1.658 1.00 0.00 C ATOM 372 CE1 HIS A 62 -5.150 0.795 -1.220 1.00 0.00 C ATOM 373 NE2 HIS A 62 -5.924 1.297 -2.185 1.00 0.00 N ATOM 0 H HIS A 62 -10.628 0.378 1.141 1.00 0.00 H new ATOM 0 HA HIS A 62 -8.203 1.800 2.068 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.729 -0.440 1.407 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.924 -0.430 0.125 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.418 -0.052 0.604 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.105 1.375 -2.139 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.072 0.757 -1.273 1.00 0.00 H new ATOM 381 N LYS A 63 -9.914 2.757 -0.490 1.00 0.00 N ATOM 382 CA LYS A 63 -9.992 3.828 -1.512 1.00 0.00 C ATOM 383 C LYS A 63 -10.081 5.193 -0.846 1.00 0.00 C ATOM 384 O LYS A 63 -9.311 6.082 -1.150 1.00 0.00 O ATOM 385 CB LYS A 63 -11.250 3.581 -2.363 1.00 0.00 C ATOM 386 CG LYS A 63 -11.289 4.563 -3.561 1.00 0.00 C ATOM 387 CD LYS A 63 -10.446 4.008 -4.719 1.00 0.00 C ATOM 388 CE LYS A 63 -10.609 4.921 -5.934 1.00 0.00 C ATOM 389 NZ LYS A 63 -10.569 6.353 -5.518 1.00 0.00 N ATOM 0 H LYS A 63 -10.761 2.203 -0.367 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.098 3.813 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.256 2.553 -2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.143 3.708 -1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.318 4.711 -3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.908 5.538 -3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.397 3.952 -4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.764 2.994 -4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.816 4.723 -6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.554 4.707 -6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.358 6.949 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.491 6.625 -5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.830 6.485 -4.798 1.00 0.00 H new ATOM 403 N LYS A 64 -11.013 5.343 0.050 1.00 0.00 N ATOM 404 CA LYS A 64 -11.145 6.648 0.731 1.00 0.00 C ATOM 405 C LYS A 64 -9.921 6.917 1.596 1.00 0.00 C ATOM 406 O LYS A 64 -9.783 7.979 2.169 1.00 0.00 O ATOM 407 CB LYS A 64 -12.396 6.610 1.625 1.00 0.00 C ATOM 408 CG LYS A 64 -13.646 6.693 0.733 1.00 0.00 C ATOM 409 CD LYS A 64 -14.915 6.830 1.609 1.00 0.00 C ATOM 410 CE LYS A 64 -15.390 5.441 2.056 1.00 0.00 C ATOM 411 NZ LYS A 64 -15.868 4.655 0.886 1.00 0.00 N ATOM 0 H LYS A 64 -11.680 4.625 0.335 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.231 7.439 -0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.412 5.692 2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.381 7.440 2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.566 7.546 0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.718 5.801 0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.702 7.449 2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.704 7.331 1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.574 4.912 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.192 5.542 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.748 4.160 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.046 5.296 0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.144 3.959 0.616 1.00 0.00 H new ATOM 425 N SER A 65 -9.047 5.940 1.671 1.00 0.00 N ATOM 426 CA SER A 65 -7.819 6.115 2.492 1.00 0.00 C ATOM 427 C SER A 65 -6.750 6.864 1.704 1.00 0.00 C ATOM 428 O SER A 65 -5.953 7.588 2.270 1.00 0.00 O ATOM 429 CB SER A 65 -7.283 4.718 2.873 1.00 0.00 C ATOM 430 OG SER A 65 -6.579 4.278 1.722 1.00 0.00 O ATOM 0 H SER A 65 -9.135 5.039 1.201 1.00 0.00 H new ATOM 0 HA SER A 65 -8.061 6.692 3.385 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.628 4.768 3.743 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.096 4.037 3.125 1.00 0.00 H new ATOM 0 HG SER A 65 -7.213 4.122 0.991 1.00 0.00 H new ATOM 436 N HIS A 66 -6.750 6.678 0.405 1.00 0.00 N ATOM 437 CA HIS A 66 -5.738 7.378 -0.431 1.00 0.00 C ATOM 438 C HIS A 66 -5.634 8.853 -0.016 1.00 0.00 C ATOM 439 O HIS A 66 -4.657 9.516 -0.302 1.00 0.00 O ATOM 440 CB HIS A 66 -6.186 7.275 -1.923 1.00 0.00 C ATOM 441 CG HIS A 66 -5.504 6.063 -2.585 1.00 0.00 C ATOM 442 ND1 HIS A 66 -4.307 6.010 -2.932 1.00 0.00 N ATOM 443 CD2 HIS A 66 -6.022 4.824 -2.878 1.00 0.00 C ATOM 444 CE1 HIS A 66 -4.013 4.869 -3.407 1.00 0.00 C ATOM 445 NE2 HIS A 66 -5.054 4.039 -3.408 1.00 0.00 N ATOM 0 H HIS A 66 -7.401 6.078 -0.102 1.00 0.00 H new ATOM 0 HA HIS A 66 -4.760 6.917 -0.297 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.270 7.172 -1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -5.923 8.189 -2.456 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -3.648 6.784 -2.845 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.045 4.522 -2.711 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.031 4.603 -3.769 1.00 0.00 H new ATOM 453 N GLN A 67 -6.653 9.331 0.660 1.00 0.00 N ATOM 454 CA GLN A 67 -6.648 10.754 1.113 1.00 0.00 C ATOM 455 C GLN A 67 -6.117 10.851 2.540 1.00 0.00 C ATOM 456 O GLN A 67 -5.530 11.842 2.923 1.00 0.00 O ATOM 457 CB GLN A 67 -8.095 11.274 1.088 1.00 0.00 C ATOM 458 CG GLN A 67 -8.553 11.411 -0.366 1.00 0.00 C ATOM 459 CD GLN A 67 -9.863 12.201 -0.414 1.00 0.00 C ATOM 460 OE1 GLN A 67 -10.808 11.903 0.289 1.00 0.00 O ATOM 461 NE2 GLN A 67 -9.960 13.216 -1.230 1.00 0.00 N ATOM 0 H GLN A 67 -7.484 8.797 0.915 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.010 11.344 0.454 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.750 10.589 1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.157 12.237 1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.788 11.918 -0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.694 10.425 -0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.170 13.471 -1.823 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.826 13.754 -1.275 1.00 0.00 H new ATOM 470 N GLU A 68 -6.339 9.811 3.299 1.00 0.00 N ATOM 471 CA GLU A 68 -5.859 9.810 4.704 1.00 0.00 C ATOM 472 C GLU A 68 -6.391 11.015 5.469 1.00 0.00 C ATOM 473 O GLU A 68 -5.888 12.113 5.334 1.00 0.00 O ATOM 474 CB GLU A 68 -4.321 9.863 4.691 1.00 0.00 C ATOM 475 CG GLU A 68 -3.796 9.431 6.062 1.00 0.00 C ATOM 476 CD GLU A 68 -2.266 9.480 6.056 1.00 0.00 C ATOM 477 OE1 GLU A 68 -1.753 10.267 5.278 1.00 0.00 O ATOM 478 OE2 GLU A 68 -1.698 8.729 6.831 1.00 0.00 O ATOM 0 H GLU A 68 -6.830 8.967 3.005 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.216 8.907 5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.928 9.207 3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.981 10.872 4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.189 10.087 6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.138 8.422 6.294 1.00 0.00 H new ATOM 485 N LYS A 69 -7.401 10.785 6.263 1.00 0.00 N ATOM 486 CA LYS A 69 -7.983 11.899 7.047 1.00 0.00 C ATOM 487 C LYS A 69 -9.001 11.375 8.052 1.00 0.00 C ATOM 488 O LYS A 69 -9.966 12.043 8.366 1.00 0.00 O ATOM 489 CB LYS A 69 -8.689 12.857 6.076 1.00 0.00 C ATOM 490 CG LYS A 69 -9.848 12.120 5.398 1.00 0.00 C ATOM 491 CD LYS A 69 -10.320 12.933 4.191 1.00 0.00 C ATOM 492 CE LYS A 69 -11.549 12.258 3.577 1.00 0.00 C ATOM 493 NZ LYS A 69 -12.749 12.490 4.428 1.00 0.00 N ATOM 0 H LYS A 69 -7.843 9.876 6.399 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.188 12.410 7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.061 13.730 6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.985 13.220 5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.528 11.127 5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.668 11.981 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.564 13.951 4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.522 13.004 3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.725 12.650 2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.370 11.188 3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.604 12.207 3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.672 11.926 5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.811 13.499 4.673 1.00 0.00 H new ATOM 507 N ALA A 70 -8.767 10.186 8.536 1.00 0.00 N ATOM 508 CA ALA A 70 -9.711 9.601 9.521 1.00 0.00 C ATOM 509 C ALA A 70 -9.085 8.404 10.226 1.00 0.00 C ATOM 510 O ALA A 70 -8.758 8.572 11.389 1.00 0.00 O ATOM 511 CB ALA A 70 -10.965 9.130 8.768 1.00 0.00 C ATOM 512 OXT ALA A 70 -8.967 7.386 9.564 1.00 0.00 O ATOM 0 H ALA A 70 -7.968 9.600 8.292 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.960 10.355 10.267 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.672 8.696 9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.428 9.979 8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.685 8.380 8.028 1.00 0.00 H new TER 518 ALA A 70 HETATM 519 ZN ZN A 71 -5.401 2.139 -3.930 1.00 0.00 ZN