USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=6 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= -0.982 USER MOD Set 1.2: A 56 ASN : amide:sc= -2.29 K(o=-3.3,f=-2.3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -10.6! K(o=-11!,f=-8.3) USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.057) USER MOD Single : A 57 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.36) USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= -0.189 (180deg=-0.916) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -73:sc= 1.13 USER MOD Single : A 67 GLN : amide:sc= -0.425 K(o=-0.43,f=-3!) USER MOD Single : A 69 LYS NZ :NH3+ 165:sc= -0.13 (180deg=-0.767) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 39 -8.481 -14.426 -6.954 1.00 0.00 N ATOM 2 CA ASP A 39 -7.307 -13.720 -7.522 1.00 0.00 C ATOM 3 C ASP A 39 -7.332 -12.254 -7.109 1.00 0.00 C ATOM 4 O ASP A 39 -6.892 -11.391 -7.843 1.00 0.00 O ATOM 5 CB ASP A 39 -7.338 -13.801 -9.062 1.00 0.00 C ATOM 6 CG ASP A 39 -8.751 -13.487 -9.565 1.00 0.00 C ATOM 7 OD1 ASP A 39 -9.666 -14.092 -9.030 1.00 0.00 O ATOM 8 OD2 ASP A 39 -8.836 -12.661 -10.459 1.00 0.00 O ATOM 0 HA ASP A 39 -6.401 -14.195 -7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.624 -13.096 -9.488 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.037 -14.796 -9.390 1.00 0.00 H new ATOM 15 N ARG A 40 -7.847 -11.998 -5.937 1.00 0.00 N ATOM 16 CA ARG A 40 -7.911 -10.594 -5.455 1.00 0.00 C ATOM 17 C ARG A 40 -8.395 -9.644 -6.570 1.00 0.00 C ATOM 18 O ARG A 40 -7.663 -8.781 -7.013 1.00 0.00 O ATOM 19 CB ARG A 40 -6.489 -10.174 -5.013 1.00 0.00 C ATOM 20 CG ARG A 40 -5.794 -11.371 -4.355 1.00 0.00 C ATOM 21 CD ARG A 40 -4.502 -10.904 -3.669 1.00 0.00 C ATOM 22 NE ARG A 40 -4.842 -10.278 -2.355 1.00 0.00 N ATOM 23 CZ ARG A 40 -3.923 -10.189 -1.426 1.00 0.00 C ATOM 24 NH1 ARG A 40 -3.216 -11.247 -1.138 1.00 0.00 N ATOM 25 NH2 ARG A 40 -3.744 -9.046 -0.821 1.00 0.00 N ATOM 0 H ARG A 40 -8.224 -12.698 -5.298 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.617 -10.531 -4.626 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.914 -9.831 -5.873 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.544 -9.340 -4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.458 -11.834 -3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.566 -12.129 -5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.829 -11.749 -3.520 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.978 -10.188 -4.302 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.783 -9.923 -2.183 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.384 -12.123 -1.633 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.495 -11.198 -0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.315 -8.240 -1.074 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.033 -8.959 -0.095 1.00 0.00 H new ATOM 39 N PRO A 41 -9.640 -9.827 -7.006 1.00 0.00 N ATOM 40 CA PRO A 41 -10.203 -8.985 -8.062 1.00 0.00 C ATOM 41 C PRO A 41 -10.343 -7.528 -7.599 1.00 0.00 C ATOM 42 O PRO A 41 -10.525 -6.635 -8.402 1.00 0.00 O ATOM 43 CB PRO A 41 -11.615 -9.598 -8.356 1.00 0.00 C ATOM 44 CG PRO A 41 -11.838 -10.760 -7.326 1.00 0.00 C ATOM 45 CD PRO A 41 -10.545 -10.873 -6.477 1.00 0.00 C ATOM 0 HA PRO A 41 -9.562 -8.967 -8.944 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.392 -8.840 -8.256 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.666 -9.974 -9.378 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.699 -10.551 -6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.043 -11.698 -7.842 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.754 -10.715 -5.419 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.099 -11.863 -6.569 1.00 0.00 H new ATOM 53 N TYR A 42 -10.253 -7.319 -6.311 1.00 0.00 N ATOM 54 CA TYR A 42 -10.379 -5.934 -5.782 1.00 0.00 C ATOM 55 C TYR A 42 -9.077 -5.180 -5.910 1.00 0.00 C ATOM 56 O TYR A 42 -8.463 -4.804 -4.936 1.00 0.00 O ATOM 57 CB TYR A 42 -10.789 -6.004 -4.297 1.00 0.00 C ATOM 58 CG TYR A 42 -12.280 -6.319 -4.208 1.00 0.00 C ATOM 59 CD1 TYR A 42 -13.213 -5.357 -4.533 1.00 0.00 C ATOM 60 CD2 TYR A 42 -12.716 -7.563 -3.803 1.00 0.00 C ATOM 61 CE1 TYR A 42 -14.560 -5.632 -4.454 1.00 0.00 C ATOM 62 CE2 TYR A 42 -14.064 -7.840 -3.723 1.00 0.00 C ATOM 63 CZ TYR A 42 -14.999 -6.876 -4.048 1.00 0.00 C ATOM 64 OH TYR A 42 -16.348 -7.151 -3.967 1.00 0.00 O ATOM 0 H TYR A 42 -10.099 -8.043 -5.610 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.135 -5.405 -6.362 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -10.211 -6.771 -3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -10.574 -5.057 -3.802 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.884 -4.379 -4.852 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -11.996 -8.326 -3.547 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.279 -4.868 -4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -14.392 -8.818 -3.404 1.00 0.00 H new ATOM 0 HH TYR A 42 -16.476 -8.074 -3.665 1.00 0.00 H new ATOM 74 N SER A 43 -8.683 -4.980 -7.121 1.00 0.00 N ATOM 75 CA SER A 43 -7.412 -4.243 -7.383 1.00 0.00 C ATOM 76 C SER A 43 -7.709 -2.770 -7.621 1.00 0.00 C ATOM 77 O SER A 43 -7.991 -2.362 -8.729 1.00 0.00 O ATOM 78 CB SER A 43 -6.769 -4.827 -8.645 1.00 0.00 C ATOM 79 OG SER A 43 -5.588 -4.059 -8.819 1.00 0.00 O ATOM 0 H SER A 43 -9.182 -5.293 -7.954 1.00 0.00 H new ATOM 0 HA SER A 43 -6.745 -4.342 -6.527 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.541 -5.886 -8.523 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.431 -4.741 -9.506 1.00 0.00 H new ATOM 0 HG SER A 43 -5.109 -4.372 -9.614 1.00 0.00 H new ATOM 85 N CYS A 44 -7.640 -1.996 -6.575 1.00 0.00 N ATOM 86 CA CYS A 44 -7.919 -0.544 -6.723 1.00 0.00 C ATOM 87 C CYS A 44 -6.959 0.108 -7.707 1.00 0.00 C ATOM 88 O CYS A 44 -5.757 0.047 -7.543 1.00 0.00 O ATOM 89 CB CYS A 44 -7.746 0.128 -5.353 1.00 0.00 C ATOM 90 SG CYS A 44 -7.243 1.864 -5.343 1.00 0.00 S ATOM 0 H CYS A 44 -7.404 -2.304 -5.632 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.935 -0.423 -7.099 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -8.691 0.047 -4.815 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.008 -0.441 -4.788 1.00 0.00 H new ATOM 95 N ASP A 45 -7.514 0.730 -8.720 1.00 0.00 N ATOM 96 CA ASP A 45 -6.658 1.404 -9.740 1.00 0.00 C ATOM 97 C ASP A 45 -6.542 2.890 -9.433 1.00 0.00 C ATOM 98 O ASP A 45 -6.790 3.723 -10.283 1.00 0.00 O ATOM 99 CB ASP A 45 -7.326 1.241 -11.116 1.00 0.00 C ATOM 100 CG ASP A 45 -8.781 1.710 -11.033 1.00 0.00 C ATOM 101 OD1 ASP A 45 -9.070 2.411 -10.077 1.00 0.00 O ATOM 102 OD2 ASP A 45 -9.520 1.342 -11.931 1.00 0.00 O ATOM 0 H ASP A 45 -8.519 0.799 -8.882 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.664 0.957 -9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.787 1.821 -11.865 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.286 0.198 -11.431 1.00 0.00 H new ATOM 107 N HIS A 46 -6.165 3.202 -8.218 1.00 0.00 N ATOM 108 CA HIS A 46 -6.029 4.621 -7.839 1.00 0.00 C ATOM 109 C HIS A 46 -4.700 5.184 -8.407 1.00 0.00 C ATOM 110 O HIS A 46 -3.708 4.484 -8.431 1.00 0.00 O ATOM 111 CB HIS A 46 -6.014 4.655 -6.298 1.00 0.00 C ATOM 112 CG HIS A 46 -5.543 6.008 -5.786 1.00 0.00 C ATOM 113 ND1 HIS A 46 -6.285 6.864 -5.267 1.00 0.00 N ATOM 114 CD2 HIS A 46 -4.276 6.542 -5.750 1.00 0.00 C ATOM 115 CE1 HIS A 46 -5.633 7.883 -4.900 1.00 0.00 C ATOM 116 NE2 HIS A 46 -4.329 7.774 -5.168 1.00 0.00 N ATOM 0 H HIS A 46 -5.949 2.530 -7.482 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.843 5.228 -8.235 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.013 4.446 -5.917 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.358 3.871 -5.920 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.383 6.063 -6.123 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.079 8.744 -4.424 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.574 8.436 -4.986 1.00 0.00 H new ATOM 124 N PRO A 47 -4.692 6.448 -8.859 1.00 0.00 N ATOM 125 CA PRO A 47 -3.472 7.034 -9.409 1.00 0.00 C ATOM 126 C PRO A 47 -2.245 6.686 -8.560 1.00 0.00 C ATOM 127 O PRO A 47 -1.994 7.298 -7.540 1.00 0.00 O ATOM 128 CB PRO A 47 -3.738 8.568 -9.417 1.00 0.00 C ATOM 129 CG PRO A 47 -5.276 8.760 -9.178 1.00 0.00 C ATOM 130 CD PRO A 47 -5.855 7.364 -8.816 1.00 0.00 C ATOM 0 HA PRO A 47 -3.251 6.650 -10.405 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.160 9.065 -8.638 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.436 9.008 -10.367 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.456 9.473 -8.373 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.759 9.158 -10.070 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.316 7.371 -7.828 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.625 7.059 -9.525 1.00 0.00 H new ATOM 138 N GLY A 48 -1.507 5.702 -9.008 1.00 0.00 N ATOM 139 CA GLY A 48 -0.289 5.286 -8.254 1.00 0.00 C ATOM 140 C GLY A 48 -0.660 4.309 -7.138 1.00 0.00 C ATOM 141 O GLY A 48 -0.650 4.663 -5.975 1.00 0.00 O ATOM 0 H GLY A 48 -1.695 5.172 -9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.424 4.819 -8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.201 6.163 -7.830 1.00 0.00 H new ATOM 145 N CYS A 49 -0.986 3.093 -7.512 1.00 0.00 N ATOM 146 CA CYS A 49 -1.360 2.083 -6.482 1.00 0.00 C ATOM 147 C CYS A 49 -0.949 0.679 -6.896 1.00 0.00 C ATOM 148 O CYS A 49 -0.712 0.410 -8.057 1.00 0.00 O ATOM 149 CB CYS A 49 -2.876 2.108 -6.320 1.00 0.00 C ATOM 150 SG CYS A 49 -3.600 0.902 -5.182 1.00 0.00 S ATOM 0 H CYS A 49 -1.008 2.763 -8.477 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.847 2.332 -5.553 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.165 3.105 -5.986 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.324 1.959 -7.302 1.00 0.00 H new ATOM 155 N ASP A 50 -0.879 -0.191 -5.926 1.00 0.00 N ATOM 156 CA ASP A 50 -0.489 -1.593 -6.210 1.00 0.00 C ATOM 157 C ASP A 50 -0.904 -2.495 -5.051 1.00 0.00 C ATOM 158 O ASP A 50 -0.362 -3.566 -4.864 1.00 0.00 O ATOM 159 CB ASP A 50 1.041 -1.652 -6.360 1.00 0.00 C ATOM 160 CG ASP A 50 1.448 -1.033 -7.700 1.00 0.00 C ATOM 161 OD1 ASP A 50 1.342 -1.750 -8.681 1.00 0.00 O ATOM 162 OD2 ASP A 50 1.842 0.122 -7.666 1.00 0.00 O ATOM 0 H ASP A 50 -1.077 0.014 -4.946 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.980 -1.931 -7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.518 -1.116 -5.540 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.383 -2.686 -6.306 1.00 0.00 H new ATOM 167 N LYS A 51 -1.869 -2.033 -4.288 1.00 0.00 N ATOM 168 CA LYS A 51 -2.351 -2.835 -3.125 1.00 0.00 C ATOM 169 C LYS A 51 -3.532 -3.729 -3.515 1.00 0.00 C ATOM 170 O LYS A 51 -4.636 -3.256 -3.700 1.00 0.00 O ATOM 171 CB LYS A 51 -2.820 -1.849 -2.041 1.00 0.00 C ATOM 172 CG LYS A 51 -1.595 -1.275 -1.308 1.00 0.00 C ATOM 173 CD LYS A 51 -0.692 -0.535 -2.309 1.00 0.00 C ATOM 174 CE LYS A 51 0.250 0.408 -1.548 1.00 0.00 C ATOM 175 NZ LYS A 51 1.182 -0.371 -0.683 1.00 0.00 N ATOM 0 H LYS A 51 -2.340 -1.138 -4.423 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.542 -3.474 -2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.398 -1.043 -2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.477 -2.355 -1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.917 -0.593 -0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.038 -2.078 -0.826 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.114 -1.252 -2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.300 0.032 -3.014 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.819 1.011 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.332 1.098 -0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.888 0.270 -0.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.645 -0.834 0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.665 -1.093 -1.255 1.00 0.00 H new ATOM 189 N ALA A 52 -3.277 -5.005 -3.629 1.00 0.00 N ATOM 190 CA ALA A 52 -4.372 -5.938 -4.002 1.00 0.00 C ATOM 191 C ALA A 52 -5.275 -6.198 -2.812 1.00 0.00 C ATOM 192 O ALA A 52 -4.940 -5.869 -1.691 1.00 0.00 O ATOM 193 CB ALA A 52 -3.750 -7.264 -4.452 1.00 0.00 C ATOM 0 H ALA A 52 -2.365 -5.436 -3.481 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.963 -5.496 -4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.541 -7.961 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.102 -7.089 -5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.164 -7.686 -3.636 1.00 0.00 H new ATOM 199 N PHE A 53 -6.411 -6.787 -3.071 1.00 0.00 N ATOM 200 CA PHE A 53 -7.356 -7.077 -1.951 1.00 0.00 C ATOM 201 C PHE A 53 -8.254 -8.267 -2.265 1.00 0.00 C ATOM 202 O PHE A 53 -8.571 -8.528 -3.407 1.00 0.00 O ATOM 203 CB PHE A 53 -8.240 -5.840 -1.750 1.00 0.00 C ATOM 204 CG PHE A 53 -7.417 -4.742 -1.076 1.00 0.00 C ATOM 205 CD1 PHE A 53 -7.132 -4.808 0.276 1.00 0.00 C ATOM 206 CD2 PHE A 53 -6.943 -3.667 -1.811 1.00 0.00 C ATOM 207 CE1 PHE A 53 -6.389 -3.817 0.882 1.00 0.00 C ATOM 208 CE2 PHE A 53 -6.201 -2.677 -1.201 1.00 0.00 C ATOM 209 CZ PHE A 53 -5.924 -2.753 0.144 1.00 0.00 C ATOM 0 H PHE A 53 -6.724 -7.077 -3.997 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.778 -7.315 -1.058 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.620 -5.490 -2.709 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.105 -6.092 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.494 -5.641 0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.156 -3.604 -2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.172 -3.876 1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.837 -1.841 -1.780 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.342 -1.978 0.621 1.00 0.00 H new ATOM 219 N VAL A 54 -8.652 -8.967 -1.226 1.00 0.00 N ATOM 220 CA VAL A 54 -9.537 -10.157 -1.413 1.00 0.00 C ATOM 221 C VAL A 54 -10.990 -9.794 -1.126 1.00 0.00 C ATOM 222 O VAL A 54 -11.879 -10.128 -1.883 1.00 0.00 O ATOM 223 CB VAL A 54 -9.101 -11.242 -0.415 1.00 0.00 C ATOM 224 CG1 VAL A 54 -9.735 -12.576 -0.815 1.00 0.00 C ATOM 225 CG2 VAL A 54 -7.580 -11.378 -0.451 1.00 0.00 C ATOM 0 H VAL A 54 -8.401 -8.763 -0.259 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.455 -10.508 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.421 -10.968 0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.429 -13.350 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.821 -12.481 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.407 -12.848 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.267 -12.147 0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.263 -11.658 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.123 -10.427 -0.178 1.00 0.00 H new ATOM 235 N ARG A 55 -11.203 -9.114 -0.026 1.00 0.00 N ATOM 236 CA ARG A 55 -12.592 -8.715 0.338 1.00 0.00 C ATOM 237 C ARG A 55 -12.965 -7.397 -0.326 1.00 0.00 C ATOM 238 O ARG A 55 -12.132 -6.738 -0.916 1.00 0.00 O ATOM 239 CB ARG A 55 -12.660 -8.538 1.865 1.00 0.00 C ATOM 240 CG ARG A 55 -12.005 -9.750 2.544 1.00 0.00 C ATOM 241 CD ARG A 55 -12.727 -11.031 2.105 1.00 0.00 C ATOM 242 NE ARG A 55 -12.428 -12.120 3.090 1.00 0.00 N ATOM 243 CZ ARG A 55 -13.226 -12.310 4.112 1.00 0.00 C ATOM 244 NH1 ARG A 55 -13.751 -11.272 4.704 1.00 0.00 N ATOM 245 NH2 ARG A 55 -13.469 -13.531 4.505 1.00 0.00 N ATOM 0 H ARG A 55 -10.479 -8.821 0.630 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.286 -9.485 0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.150 -7.621 2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.697 -8.443 2.186 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.950 -9.804 2.277 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.054 -9.645 3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.802 -10.858 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.400 -11.325 1.108 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.606 -12.711 2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.538 -10.332 4.370 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.374 -11.401 5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.040 -14.318 4.018 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.088 -13.698 5.299 1.00 0.00 H new ATOM 259 N ASN A 56 -14.218 -7.031 -0.216 1.00 0.00 N ATOM 260 CA ASN A 56 -14.672 -5.754 -0.835 1.00 0.00 C ATOM 261 C ASN A 56 -14.456 -4.578 0.111 1.00 0.00 C ATOM 262 O ASN A 56 -13.834 -3.598 -0.247 1.00 0.00 O ATOM 263 CB ASN A 56 -16.176 -5.877 -1.139 1.00 0.00 C ATOM 264 CG ASN A 56 -16.580 -4.789 -2.135 1.00 0.00 C ATOM 265 OD1 ASN A 56 -15.981 -3.735 -2.198 1.00 0.00 O ATOM 266 ND2 ASN A 56 -17.590 -5.007 -2.932 1.00 0.00 N ATOM 0 H ASN A 56 -14.940 -7.560 0.273 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.097 -5.575 -1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.397 -6.862 -1.550 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -16.754 -5.778 -0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -17.873 -4.294 -3.604 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -18.097 -5.891 -2.883 1.00 0.00 H new ATOM 273 N HIS A 57 -14.975 -4.695 1.306 1.00 0.00 N ATOM 274 CA HIS A 57 -14.810 -3.590 2.289 1.00 0.00 C ATOM 275 C HIS A 57 -13.379 -3.065 2.286 1.00 0.00 C ATOM 276 O HIS A 57 -13.158 -1.873 2.246 1.00 0.00 O ATOM 277 CB HIS A 57 -15.135 -4.134 3.687 1.00 0.00 C ATOM 278 CG HIS A 57 -16.417 -4.965 3.618 1.00 0.00 C ATOM 279 ND1 HIS A 57 -16.525 -6.143 4.017 1.00 0.00 N ATOM 280 CD2 HIS A 57 -17.664 -4.626 3.129 1.00 0.00 C ATOM 281 CE1 HIS A 57 -17.698 -6.588 3.836 1.00 0.00 C ATOM 282 NE2 HIS A 57 -18.503 -5.687 3.273 1.00 0.00 N ATOM 0 H HIS A 57 -15.502 -5.502 1.639 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.479 -2.773 2.019 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -14.310 -4.746 4.053 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -15.258 -3.311 4.391 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -17.930 -3.671 2.701 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -18.010 -7.586 4.108 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -19.487 -5.771 3.018 1.00 0.00 H new ATOM 290 N ASP A 58 -12.430 -3.965 2.328 1.00 0.00 N ATOM 291 CA ASP A 58 -11.010 -3.523 2.327 1.00 0.00 C ATOM 292 C ASP A 58 -10.786 -2.457 1.263 1.00 0.00 C ATOM 293 O ASP A 58 -10.166 -1.445 1.511 1.00 0.00 O ATOM 294 CB ASP A 58 -10.124 -4.735 2.008 1.00 0.00 C ATOM 295 CG ASP A 58 -10.430 -5.860 2.999 1.00 0.00 C ATOM 296 OD1 ASP A 58 -11.452 -5.743 3.654 1.00 0.00 O ATOM 297 OD2 ASP A 58 -9.624 -6.775 3.043 1.00 0.00 O ATOM 0 H ASP A 58 -12.577 -4.974 2.362 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.762 -3.106 3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.305 -5.074 0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.072 -4.457 2.069 1.00 0.00 H new ATOM 302 N LEU A 59 -11.300 -2.713 0.095 1.00 0.00 N ATOM 303 CA LEU A 59 -11.141 -1.741 -1.016 1.00 0.00 C ATOM 304 C LEU A 59 -11.856 -0.434 -0.665 1.00 0.00 C ATOM 305 O LEU A 59 -11.395 0.640 -0.994 1.00 0.00 O ATOM 306 CB LEU A 59 -11.790 -2.384 -2.281 1.00 0.00 C ATOM 307 CG LEU A 59 -11.077 -1.926 -3.574 1.00 0.00 C ATOM 308 CD1 LEU A 59 -11.182 -0.394 -3.702 1.00 0.00 C ATOM 309 CD2 LEU A 59 -9.578 -2.378 -3.561 1.00 0.00 C ATOM 0 H LEU A 59 -11.825 -3.556 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.090 -1.515 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.744 -3.470 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.844 -2.112 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.561 -2.388 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.680 -0.070 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.232 -0.103 -3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.709 0.076 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.090 -2.048 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.072 -1.937 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.526 -3.465 -3.494 1.00 0.00 H new ATOM 321 N ILE A 60 -12.967 -0.553 0.008 1.00 0.00 N ATOM 322 CA ILE A 60 -13.717 0.666 0.385 1.00 0.00 C ATOM 323 C ILE A 60 -12.958 1.441 1.452 1.00 0.00 C ATOM 324 O ILE A 60 -12.950 2.656 1.456 1.00 0.00 O ATOM 325 CB ILE A 60 -15.077 0.248 0.946 1.00 0.00 C ATOM 326 CG1 ILE A 60 -15.736 -0.758 0.003 1.00 0.00 C ATOM 327 CG2 ILE A 60 -15.974 1.500 1.040 1.00 0.00 C ATOM 328 CD1 ILE A 60 -17.160 -1.062 0.489 1.00 0.00 C ATOM 0 H ILE A 60 -13.381 -1.435 0.309 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.843 1.300 -0.493 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.946 -0.206 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -15.764 -0.357 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.149 -1.676 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.949 1.220 1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.509 2.232 1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -16.099 1.934 0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -17.629 -1.780 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -17.120 -1.481 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -17.744 -0.142 0.502 1.00 0.00 H new ATOM 340 N ARG A 61 -12.334 0.719 2.342 1.00 0.00 N ATOM 341 CA ARG A 61 -11.566 1.384 3.421 1.00 0.00 C ATOM 342 C ARG A 61 -10.194 1.795 2.905 1.00 0.00 C ATOM 343 O ARG A 61 -9.585 2.717 3.410 1.00 0.00 O ATOM 344 CB ARG A 61 -11.392 0.377 4.576 1.00 0.00 C ATOM 345 CG ARG A 61 -10.458 0.967 5.642 1.00 0.00 C ATOM 346 CD ARG A 61 -10.489 0.079 6.892 1.00 0.00 C ATOM 347 NE ARG A 61 -9.279 0.363 7.714 1.00 0.00 N ATOM 348 CZ ARG A 61 -9.019 1.593 8.064 1.00 0.00 C ATOM 349 NH1 ARG A 61 -9.975 2.316 8.579 1.00 0.00 N ATOM 350 NH2 ARG A 61 -7.812 2.060 7.883 1.00 0.00 N ATOM 0 H ARG A 61 -12.325 -0.301 2.365 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.096 2.273 3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.361 0.144 5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.981 -0.559 4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.441 1.033 5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.770 1.981 5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.392 0.273 7.470 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.513 -0.973 6.607 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.661 -0.396 8.000 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.906 1.918 8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.791 3.280 8.859 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.091 1.465 7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.591 3.019 8.151 1.00 0.00 H new ATOM 364 N HIS A 62 -9.728 1.094 1.898 1.00 0.00 N ATOM 365 CA HIS A 62 -8.393 1.421 1.326 1.00 0.00 C ATOM 366 C HIS A 62 -8.502 2.583 0.358 1.00 0.00 C ATOM 367 O HIS A 62 -7.550 3.289 0.147 1.00 0.00 O ATOM 368 CB HIS A 62 -7.848 0.153 0.600 1.00 0.00 C ATOM 369 CG HIS A 62 -6.776 0.526 -0.439 1.00 0.00 C ATOM 370 ND1 HIS A 62 -5.542 0.466 -0.251 1.00 0.00 N ATOM 371 CD2 HIS A 62 -6.933 1.004 -1.723 1.00 0.00 C ATOM 372 CE1 HIS A 62 -4.894 0.857 -1.271 1.00 0.00 C ATOM 373 NE2 HIS A 62 -5.699 1.228 -2.270 1.00 0.00 N ATOM 0 H HIS A 62 -10.214 0.315 1.453 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.709 1.715 2.122 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.425 -0.535 1.332 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.669 -0.369 0.108 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.109 0.143 0.614 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.878 1.174 -2.217 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.816 0.886 -1.324 1.00 0.00 H new ATOM 381 N LYS A 63 -9.664 2.756 -0.218 1.00 0.00 N ATOM 382 CA LYS A 63 -9.854 3.879 -1.180 1.00 0.00 C ATOM 383 C LYS A 63 -10.573 5.043 -0.485 1.00 0.00 C ATOM 384 O LYS A 63 -10.925 6.017 -1.120 1.00 0.00 O ATOM 385 CB LYS A 63 -10.734 3.370 -2.346 1.00 0.00 C ATOM 386 CG LYS A 63 -10.504 4.259 -3.585 1.00 0.00 C ATOM 387 CD LYS A 63 -11.466 3.834 -4.723 1.00 0.00 C ATOM 388 CE LYS A 63 -12.814 4.559 -4.565 1.00 0.00 C ATOM 389 NZ LYS A 63 -12.634 6.031 -4.712 1.00 0.00 N ATOM 0 H LYS A 63 -10.485 2.170 -0.064 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.887 4.223 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.487 2.334 -2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.785 3.391 -2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.669 5.305 -3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.470 4.172 -3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.026 4.072 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.618 2.755 -4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.519 4.196 -5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.242 4.335 -3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.495 6.447 -5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.454 6.454 -3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.827 6.221 -5.340 1.00 0.00 H new ATOM 403 N LYS A 64 -10.786 4.911 0.827 1.00 0.00 N ATOM 404 CA LYS A 64 -11.485 6.008 1.586 1.00 0.00 C ATOM 405 C LYS A 64 -11.012 7.361 1.077 1.00 0.00 C ATOM 406 O LYS A 64 -11.777 8.249 0.761 1.00 0.00 O ATOM 407 CB LYS A 64 -11.134 5.859 3.101 1.00 0.00 C ATOM 408 CG LYS A 64 -12.348 6.262 3.961 1.00 0.00 C ATOM 409 CD LYS A 64 -12.713 7.723 3.677 1.00 0.00 C ATOM 410 CE LYS A 64 -13.825 8.156 4.633 1.00 0.00 C ATOM 411 NZ LYS A 64 -14.264 9.548 4.324 1.00 0.00 N ATOM 0 H LYS A 64 -10.508 4.104 1.385 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.563 5.937 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.849 4.830 3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.277 6.486 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.196 5.614 3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.117 6.133 5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.838 8.361 3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.041 7.835 2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.671 7.474 4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.471 8.100 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.020 9.828 4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.458 10.197 4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.621 9.591 3.348 1.00 0.00 H new ATOM 425 N SER A 65 -9.759 7.436 1.012 1.00 0.00 N ATOM 426 CA SER A 65 -9.055 8.645 0.545 1.00 0.00 C ATOM 427 C SER A 65 -7.700 8.138 0.233 1.00 0.00 C ATOM 428 O SER A 65 -6.691 8.796 0.393 1.00 0.00 O ATOM 429 CB SER A 65 -8.985 9.682 1.682 1.00 0.00 C ATOM 430 OG SER A 65 -7.981 10.594 1.258 1.00 0.00 O ATOM 0 H SER A 65 -9.137 6.672 1.275 1.00 0.00 H new ATOM 0 HA SER A 65 -9.539 9.135 -0.300 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.943 10.182 1.825 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.724 9.215 2.632 1.00 0.00 H new ATOM 0 HG SER A 65 -7.100 10.172 1.340 1.00 0.00 H new ATOM 436 N HIS A 66 -7.740 6.924 -0.225 1.00 0.00 N ATOM 437 CA HIS A 66 -6.557 6.213 -0.586 1.00 0.00 C ATOM 438 C HIS A 66 -5.725 6.083 0.653 1.00 0.00 C ATOM 439 O HIS A 66 -4.582 6.480 0.714 1.00 0.00 O ATOM 440 CB HIS A 66 -5.795 6.898 -1.756 1.00 0.00 C ATOM 441 CG HIS A 66 -5.178 5.779 -2.638 1.00 0.00 C ATOM 442 ND1 HIS A 66 -4.018 5.779 -3.088 1.00 0.00 N ATOM 443 CD2 HIS A 66 -5.703 4.531 -2.979 1.00 0.00 C ATOM 444 CE1 HIS A 66 -3.742 4.671 -3.654 1.00 0.00 C ATOM 445 NE2 HIS A 66 -4.765 3.812 -3.623 1.00 0.00 N ATOM 0 H HIS A 66 -8.603 6.397 -0.359 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.808 5.223 -0.967 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.473 7.517 -2.343 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -5.015 7.555 -1.371 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -3.371 6.564 -3.014 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.706 4.195 -2.760 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -2.787 4.451 -4.108 1.00 0.00 H new ATOM 453 N GLN A 67 -6.393 5.531 1.648 1.00 0.00 N ATOM 454 CA GLN A 67 -5.783 5.299 2.968 1.00 0.00 C ATOM 455 C GLN A 67 -4.647 4.272 2.868 1.00 0.00 C ATOM 456 O GLN A 67 -4.721 3.184 3.405 1.00 0.00 O ATOM 457 CB GLN A 67 -6.927 4.758 3.896 1.00 0.00 C ATOM 458 CG GLN A 67 -7.529 5.909 4.711 1.00 0.00 C ATOM 459 CD GLN A 67 -8.486 5.334 5.758 1.00 0.00 C ATOM 460 OE1 GLN A 67 -8.266 4.265 6.295 1.00 0.00 O ATOM 461 NE2 GLN A 67 -9.555 6.008 6.077 1.00 0.00 N ATOM 0 H GLN A 67 -7.365 5.229 1.578 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.351 6.217 3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.702 4.284 3.293 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.532 3.994 4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.738 6.479 5.198 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.060 6.598 4.054 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.745 6.905 5.630 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.202 5.638 6.774 1.00 0.00 H new ATOM 470 N GLU A 68 -3.628 4.651 2.170 1.00 0.00 N ATOM 471 CA GLU A 68 -2.463 3.745 2.000 1.00 0.00 C ATOM 472 C GLU A 68 -1.820 3.434 3.350 1.00 0.00 C ATOM 473 O GLU A 68 -2.037 4.133 4.320 1.00 0.00 O ATOM 474 CB GLU A 68 -1.432 4.459 1.099 1.00 0.00 C ATOM 475 CG GLU A 68 -0.140 3.637 1.044 1.00 0.00 C ATOM 476 CD GLU A 68 0.743 4.162 -0.091 1.00 0.00 C ATOM 477 OE1 GLU A 68 0.464 3.780 -1.215 1.00 0.00 O ATOM 478 OE2 GLU A 68 1.647 4.915 0.232 1.00 0.00 O ATOM 0 H GLU A 68 -3.546 5.555 1.704 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.792 2.807 1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.837 4.585 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.224 5.456 1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.390 3.706 1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.371 2.584 0.883 1.00 0.00 H new ATOM 485 N LYS A 69 -1.037 2.390 3.385 1.00 0.00 N ATOM 486 CA LYS A 69 -0.371 2.017 4.658 1.00 0.00 C ATOM 487 C LYS A 69 0.485 3.161 5.184 1.00 0.00 C ATOM 488 O LYS A 69 0.494 4.239 4.626 1.00 0.00 O ATOM 489 CB LYS A 69 0.539 0.811 4.391 1.00 0.00 C ATOM 490 CG LYS A 69 -0.314 -0.368 3.924 1.00 0.00 C ATOM 491 CD LYS A 69 0.606 -1.526 3.524 1.00 0.00 C ATOM 492 CE LYS A 69 -0.228 -2.807 3.392 1.00 0.00 C ATOM 493 NZ LYS A 69 -1.604 -2.487 2.919 1.00 0.00 N ATOM 0 H LYS A 69 -0.833 1.784 2.590 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.135 1.783 5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.281 1.061 3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.085 0.545 5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.989 -0.682 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.934 -0.071 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.104 -1.302 2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.387 -1.661 4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.253 -3.491 2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.277 -3.317 4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.071 -3.358 2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.152 -2.072 3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.552 -1.808 2.133 1.00 0.00 H new ATOM 507 N ALA A 70 1.189 2.904 6.255 1.00 0.00 N ATOM 508 CA ALA A 70 2.052 3.963 6.834 1.00 0.00 C ATOM 509 C ALA A 70 1.258 5.241 7.073 1.00 0.00 C ATOM 510 O ALA A 70 1.304 6.080 6.190 1.00 0.00 O ATOM 511 CB ALA A 70 3.185 4.261 5.839 1.00 0.00 C ATOM 512 OXT ALA A 70 0.648 5.310 8.128 1.00 0.00 O ATOM 0 H ALA A 70 1.201 2.011 6.748 1.00 0.00 H new ATOM 0 HA ALA A 70 2.448 3.617 7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.832 5.038 6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.768 3.356 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.760 4.601 4.895 1.00 0.00 H new TER 518 ALA A 70 HETATM 519 ZN ZN A 71 -5.320 1.958 -4.098 1.00 0.00 ZN