USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 277 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 Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0478) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= -0.145 (180deg=-0.798) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 150:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 69 LYS NZ :NH3+ 160:sc= 0.252 (180deg=0.0758) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 37 35.694 31.942 18.517 1.00 20.00 N ATOM 2 CA LEU A 37 35.387 32.727 19.732 1.00 20.00 C ATOM 3 C LEU A 37 33.916 32.643 20.172 1.00 20.00 C ATOM 4 O LEU A 37 33.649 32.789 21.364 1.00 20.00 O ATOM 5 CB LEU A 37 35.892 34.176 19.596 1.00 20.00 C ATOM 6 CG LEU A 37 35.138 35.048 18.564 1.00 20.00 C ATOM 7 CD1 LEU A 37 34.058 35.913 19.234 1.00 20.00 C ATOM 8 CD2 LEU A 37 36.112 35.971 17.816 1.00 20.00 C ATOM 0 HA LEU A 37 35.939 32.262 20.549 1.00 20.00 H new ATOM 0 HB2 LEU A 37 35.826 34.659 20.571 1.00 20.00 H new ATOM 0 HB3 LEU A 37 36.947 34.151 19.323 1.00 20.00 H new ATOM 0 HG LEU A 37 34.661 34.364 17.862 1.00 20.00 H new ATOM 0 HD11 LEU A 37 33.550 36.511 18.478 1.00 20.00 H new ATOM 0 HD12 LEU A 37 33.334 35.269 19.734 1.00 20.00 H new ATOM 0 HD13 LEU A 37 34.523 36.573 19.967 1.00 20.00 H new ATOM 0 HD21 LEU A 37 35.560 36.575 17.096 1.00 20.00 H new ATOM 0 HD22 LEU A 37 36.614 36.625 18.529 1.00 20.00 H new ATOM 0 HD23 LEU A 37 36.854 35.369 17.292 1.00 20.00 H new ATOM 20 N THR A 38 32.969 32.421 19.245 1.00 20.00 N ATOM 21 CA THR A 38 31.522 32.496 19.478 1.00 20.00 C ATOM 22 C THR A 38 30.824 31.138 19.301 1.00 20.00 C ATOM 23 O THR A 38 31.339 30.246 18.627 1.00 20.00 O ATOM 24 CB THR A 38 30.919 33.584 18.565 1.00 20.00 C ATOM 25 OG1 THR A 38 29.587 33.859 18.939 1.00 20.00 O ATOM 26 CG2 THR A 38 30.954 33.218 17.077 1.00 20.00 C ATOM 0 H THR A 38 33.200 32.177 18.282 1.00 20.00 H new ATOM 0 HA THR A 38 31.352 32.772 20.519 1.00 20.00 H new ATOM 0 HB THR A 38 31.544 34.467 18.699 1.00 20.00 H new ATOM 0 HG1 THR A 38 29.219 34.552 18.352 1.00 20.00 H new ATOM 0 HG21 THR A 38 30.515 34.027 16.493 1.00 20.00 H new ATOM 0 HG22 THR A 38 31.987 33.064 16.764 1.00 20.00 H new ATOM 0 HG23 THR A 38 30.385 32.302 16.914 1.00 20.00 H new ATOM 34 N GLY A 39 29.625 31.006 19.887 1.00 20.00 N ATOM 35 CA GLY A 39 28.770 29.831 19.820 1.00 20.00 C ATOM 36 C GLY A 39 29.235 28.720 20.760 1.00 20.00 C ATOM 37 O GLY A 39 30.430 28.555 21.005 1.00 20.00 O ATOM 0 H GLY A 39 29.214 31.755 20.444 1.00 20.00 H new ATOM 0 HA2 GLY A 39 27.748 30.113 20.073 1.00 20.00 H new ATOM 0 HA3 GLY A 39 28.753 29.455 18.797 1.00 20.00 H new ATOM 41 N CYS A 40 28.273 27.925 21.244 1.00 20.00 N ATOM 42 CA CYS A 40 28.508 26.770 22.114 1.00 20.00 C ATOM 43 C CYS A 40 29.479 25.743 21.504 1.00 20.00 C ATOM 44 O CYS A 40 30.240 25.118 22.241 1.00 20.00 O ATOM 45 CB CYS A 40 27.176 26.090 22.442 1.00 20.00 C ATOM 46 SG CYS A 40 26.097 27.014 23.570 1.00 20.00 S ATOM 0 H CYS A 40 27.286 28.072 21.035 1.00 20.00 H new ATOM 0 HA CYS A 40 28.976 27.148 23.023 1.00 20.00 H new ATOM 0 HB2 CYS A 40 26.637 25.914 21.511 1.00 20.00 H new ATOM 0 HB3 CYS A 40 27.383 25.114 22.880 1.00 20.00 H new ATOM 51 N LYS A 41 29.495 25.622 20.167 1.00 20.00 N ATOM 52 CA LYS A 41 30.413 24.801 19.370 1.00 20.00 C ATOM 53 C LYS A 41 31.907 25.062 19.632 1.00 20.00 C ATOM 54 O LYS A 41 32.726 24.174 19.399 1.00 20.00 O ATOM 55 CB LYS A 41 30.099 25.002 17.876 1.00 20.00 C ATOM 56 CG LYS A 41 30.242 26.460 17.389 1.00 20.00 C ATOM 57 CD LYS A 41 29.918 26.600 15.894 1.00 20.00 C ATOM 58 CE LYS A 41 31.000 26.036 14.965 1.00 20.00 C ATOM 59 NZ LYS A 41 32.247 26.829 15.014 1.00 20.00 N ATOM 0 H LYS A 41 28.828 26.125 19.582 1.00 20.00 H new ATOM 0 HA LYS A 41 30.244 23.769 19.678 1.00 20.00 H new ATOM 0 HB2 LYS A 41 30.763 24.368 17.288 1.00 20.00 H new ATOM 0 HB3 LYS A 41 29.081 24.664 17.682 1.00 20.00 H new ATOM 0 HG2 LYS A 41 29.577 27.102 17.966 1.00 20.00 H new ATOM 0 HG3 LYS A 41 31.259 26.806 17.574 1.00 20.00 H new ATOM 0 HD2 LYS A 41 28.976 26.092 15.688 1.00 20.00 H new ATOM 0 HD3 LYS A 41 29.769 27.655 15.662 1.00 20.00 H new ATOM 0 HE2 LYS A 41 31.216 25.005 15.245 1.00 20.00 H new ATOM 0 HE3 LYS A 41 30.624 26.016 13.942 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 32.899 26.496 14.276 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 32.027 27.833 14.854 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 32.693 26.717 15.947 1.00 20.00 H new ATOM 73 N GLY A 42 32.250 26.262 20.117 1.00 20.00 N ATOM 74 CA GLY A 42 33.599 26.704 20.456 1.00 20.00 C ATOM 75 C GLY A 42 33.682 27.305 21.863 1.00 20.00 C ATOM 76 O GLY A 42 34.518 28.179 22.091 1.00 20.00 O ATOM 0 H GLY A 42 31.553 26.986 20.291 1.00 20.00 H new ATOM 0 HA2 GLY A 42 34.284 25.859 20.384 1.00 20.00 H new ATOM 0 HA3 GLY A 42 33.929 27.445 19.728 1.00 20.00 H new ATOM 80 N LYS A 43 32.818 26.853 22.791 1.00 20.00 N ATOM 81 CA LYS A 43 32.724 27.289 24.186 1.00 20.00 C ATOM 82 C LYS A 43 32.418 28.792 24.365 1.00 20.00 C ATOM 83 O LYS A 43 32.532 29.321 25.470 1.00 20.00 O ATOM 84 CB LYS A 43 33.975 26.800 24.934 1.00 20.00 C ATOM 85 CG LYS A 43 33.715 26.504 26.418 1.00 20.00 C ATOM 86 CD LYS A 43 34.997 26.039 27.115 1.00 20.00 C ATOM 87 CE LYS A 43 34.725 25.790 28.601 1.00 20.00 C ATOM 88 NZ LYS A 43 35.966 25.452 29.326 1.00 20.00 N ATOM 0 H LYS A 43 32.130 26.133 22.569 1.00 20.00 H new ATOM 0 HA LYS A 43 31.846 26.827 24.638 1.00 20.00 H new ATOM 0 HB2 LYS A 43 34.350 25.898 24.451 1.00 20.00 H new ATOM 0 HB3 LYS A 43 34.757 27.554 24.852 1.00 20.00 H new ATOM 0 HG2 LYS A 43 33.333 27.398 26.910 1.00 20.00 H new ATOM 0 HG3 LYS A 43 32.947 25.736 26.511 1.00 20.00 H new ATOM 0 HD2 LYS A 43 35.365 25.126 26.646 1.00 20.00 H new ATOM 0 HD3 LYS A 43 35.776 26.792 27.001 1.00 20.00 H new ATOM 0 HE2 LYS A 43 34.273 26.678 29.044 1.00 20.00 H new ATOM 0 HE3 LYS A 43 34.006 24.978 28.710 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 35.748 25.289 30.330 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 36.383 24.591 28.918 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 36.642 26.238 29.242 1.00 20.00 H new ATOM 102 N GLY A 44 31.980 29.472 23.294 1.00 20.00 N ATOM 103 CA GLY A 44 31.490 30.848 23.276 1.00 20.00 C ATOM 104 C GLY A 44 30.095 31.019 23.895 1.00 20.00 C ATOM 105 O GLY A 44 29.452 32.042 23.663 1.00 20.00 O ATOM 0 H GLY A 44 31.960 29.047 22.367 1.00 20.00 H new ATOM 0 HA2 GLY A 44 32.196 31.482 23.813 1.00 20.00 H new ATOM 0 HA3 GLY A 44 31.465 31.201 22.245 1.00 20.00 H new ATOM 109 N GLY A 45 29.622 30.024 24.658 1.00 20.00 N ATOM 110 CA GLY A 45 28.345 30.019 25.356 1.00 20.00 C ATOM 111 C GLY A 45 28.208 28.811 26.281 1.00 20.00 C ATOM 112 O GLY A 45 29.170 28.071 26.497 1.00 20.00 O ATOM 0 H GLY A 45 30.150 29.164 24.807 1.00 20.00 H new ATOM 0 HA2 GLY A 45 28.245 30.935 25.938 1.00 20.00 H new ATOM 0 HA3 GLY A 45 27.533 30.014 24.629 1.00 20.00 H new ATOM 116 N GLU A 46 26.995 28.618 26.814 1.00 20.00 N ATOM 117 CA GLU A 46 26.631 27.475 27.647 1.00 20.00 C ATOM 118 C GLU A 46 25.384 26.764 27.125 1.00 20.00 C ATOM 119 O GLU A 46 24.521 27.349 26.465 1.00 20.00 O ATOM 120 CB GLU A 46 26.438 27.903 29.115 1.00 20.00 C ATOM 121 CG GLU A 46 27.685 27.625 29.968 1.00 20.00 C ATOM 122 CD GLU A 46 28.027 26.138 30.144 1.00 20.00 C ATOM 123 OE1 GLU A 46 29.194 25.869 30.501 1.00 20.00 O ATOM 124 OE2 GLU A 46 27.138 25.281 29.937 1.00 20.00 O ATOM 0 H GLU A 46 26.224 29.271 26.672 1.00 20.00 H new ATOM 0 HA GLU A 46 27.457 26.765 27.599 1.00 20.00 H new ATOM 0 HB2 GLU A 46 26.203 28.967 29.154 1.00 20.00 H new ATOM 0 HB3 GLU A 46 25.585 27.372 29.538 1.00 20.00 H new ATOM 0 HG2 GLU A 46 28.538 28.128 29.513 1.00 20.00 H new ATOM 0 HG3 GLU A 46 27.541 28.069 30.953 1.00 20.00 H new ATOM 131 N CYS A 47 25.312 25.481 27.486 1.00 20.00 N ATOM 132 CA CYS A 47 24.303 24.530 27.054 1.00 20.00 C ATOM 133 C CYS A 47 23.315 24.265 28.188 1.00 20.00 C ATOM 134 O CYS A 47 23.705 24.033 29.335 1.00 20.00 O ATOM 135 CB CYS A 47 24.996 23.246 26.598 1.00 20.00 C ATOM 136 SG CYS A 47 25.902 23.426 25.040 1.00 20.00 S ATOM 0 H CYS A 47 25.993 25.063 28.120 1.00 20.00 H new ATOM 0 HA CYS A 47 23.737 24.935 26.216 1.00 20.00 H new ATOM 0 HB2 CYS A 47 25.687 22.920 27.375 1.00 20.00 H new ATOM 0 HB3 CYS A 47 24.249 22.460 26.486 1.00 20.00 H new ATOM 141 N ASN A 48 22.028 24.333 27.840 1.00 20.00 N ATOM 142 CA ASN A 48 20.891 24.342 28.748 1.00 20.00 C ATOM 143 C ASN A 48 19.789 23.406 28.219 1.00 20.00 C ATOM 144 O ASN A 48 19.802 23.056 27.035 1.00 20.00 O ATOM 145 CB ASN A 48 20.397 25.799 28.867 1.00 20.00 C ATOM 146 CG ASN A 48 21.195 26.603 29.893 1.00 20.00 C ATOM 147 OD1 ASN A 48 20.739 26.798 31.015 1.00 20.00 O ATOM 148 ND2 ASN A 48 22.382 27.085 29.528 1.00 20.00 N ATOM 0 H ASN A 48 21.741 24.386 26.863 1.00 20.00 H new ATOM 0 HA ASN A 48 21.173 23.976 29.735 1.00 20.00 H new ATOM 0 HB2 ASN A 48 20.468 26.285 27.894 1.00 20.00 H new ATOM 0 HB3 ASN A 48 19.344 25.801 29.148 1.00 20.00 H new ATOM 0 HD21 ASN A 48 22.936 27.631 30.188 1.00 20.00 H new ATOM 0 HD22 ASN A 48 22.737 26.908 28.588 1.00 20.00 H new ATOM 155 N PRO A 49 18.808 23.016 29.060 1.00 20.00 N ATOM 156 CA PRO A 49 17.670 22.215 28.619 1.00 20.00 C ATOM 157 C PRO A 49 16.769 23.017 27.672 1.00 20.00 C ATOM 158 O PRO A 49 16.802 24.249 27.652 1.00 20.00 O ATOM 159 CB PRO A 49 16.934 21.810 29.903 1.00 20.00 C ATOM 160 CG PRO A 49 17.272 22.931 30.880 1.00 20.00 C ATOM 161 CD PRO A 49 18.701 23.299 30.488 1.00 20.00 C ATOM 0 HA PRO A 49 17.982 21.338 28.053 1.00 20.00 H new ATOM 0 HB2 PRO A 49 15.859 21.730 29.741 1.00 20.00 H new ATOM 0 HB3 PRO A 49 17.273 20.842 30.271 1.00 20.00 H new ATOM 0 HG2 PRO A 49 16.593 23.777 30.776 1.00 20.00 H new ATOM 0 HG3 PRO A 49 17.209 22.598 31.916 1.00 20.00 H new ATOM 0 HD2 PRO A 49 18.905 24.350 30.695 1.00 20.00 H new ATOM 0 HD3 PRO A 49 19.425 22.716 31.057 1.00 20.00 H new ATOM 169 N LEU A 50 15.933 22.302 26.911 1.00 20.00 N ATOM 170 CA LEU A 50 14.931 22.882 26.016 1.00 20.00 C ATOM 171 C LEU A 50 13.876 23.670 26.804 1.00 20.00 C ATOM 172 O LEU A 50 13.384 24.689 26.324 1.00 20.00 O ATOM 173 CB LEU A 50 14.256 21.765 25.213 1.00 20.00 C ATOM 174 CG LEU A 50 15.230 20.965 24.325 1.00 20.00 C ATOM 175 CD1 LEU A 50 14.600 19.603 24.027 1.00 20.00 C ATOM 176 CD2 LEU A 50 15.566 21.699 23.024 1.00 20.00 C ATOM 0 H LEU A 50 15.936 21.282 26.902 1.00 20.00 H new ATOM 0 HA LEU A 50 15.431 23.573 25.337 1.00 20.00 H new ATOM 0 HB2 LEU A 50 13.762 21.081 25.903 1.00 20.00 H new ATOM 0 HB3 LEU A 50 13.479 22.200 24.584 1.00 20.00 H new ATOM 0 HG LEU A 50 16.171 20.842 24.860 1.00 20.00 H new ATOM 0 HD11 LEU A 50 15.274 19.020 23.399 1.00 20.00 H new ATOM 0 HD12 LEU A 50 14.424 19.071 24.962 1.00 20.00 H new ATOM 0 HD13 LEU A 50 13.653 19.746 23.507 1.00 20.00 H new ATOM 0 HD21 LEU A 50 16.255 21.095 22.433 1.00 20.00 H new ATOM 0 HD22 LEU A 50 14.652 21.868 22.455 1.00 20.00 H new ATOM 0 HD23 LEU A 50 16.031 22.657 23.256 1.00 20.00 H new ATOM 188 N ASP A 51 13.578 23.214 28.029 1.00 20.00 N ATOM 189 CA ASP A 51 12.684 23.860 28.991 1.00 20.00 C ATOM 190 C ASP A 51 13.154 25.252 29.452 1.00 20.00 C ATOM 191 O ASP A 51 12.343 25.996 30.006 1.00 20.00 O ATOM 192 CB ASP A 51 12.525 22.947 30.217 1.00 20.00 C ATOM 193 CG ASP A 51 11.959 21.574 29.857 1.00 20.00 C ATOM 194 OD1 ASP A 51 10.797 21.529 29.397 1.00 20.00 O ATOM 195 OD2 ASP A 51 12.693 20.579 30.048 1.00 20.00 O ATOM 0 H ASP A 51 13.973 22.345 28.389 1.00 20.00 H new ATOM 0 HA ASP A 51 11.735 24.014 28.477 1.00 20.00 H new ATOM 0 HB2 ASP A 51 13.494 22.821 30.700 1.00 20.00 H new ATOM 0 HB3 ASP A 51 11.868 23.428 30.941 1.00 20.00 H new ATOM 200 N ARG A 52 14.427 25.621 29.224 1.00 20.00 N ATOM 201 CA ARG A 52 14.963 26.938 29.562 1.00 20.00 C ATOM 202 C ARG A 52 14.376 28.012 28.637 1.00 20.00 C ATOM 203 O ARG A 52 14.206 27.772 27.441 1.00 20.00 O ATOM 204 CB ARG A 52 16.498 26.910 29.444 1.00 20.00 C ATOM 205 CG ARG A 52 17.196 28.067 30.166 1.00 20.00 C ATOM 206 CD ARG A 52 17.076 27.900 31.685 1.00 20.00 C ATOM 207 NE ARG A 52 18.008 28.790 32.376 1.00 20.00 N ATOM 208 CZ ARG A 52 17.839 29.365 33.577 1.00 20.00 C ATOM 209 NH1 ARG A 52 16.747 29.162 34.316 1.00 20.00 N ATOM 210 NH2 ARG A 52 18.788 30.164 34.060 1.00 20.00 N ATOM 0 H ARG A 52 15.114 25.002 28.795 1.00 20.00 H new ATOM 0 HA ARG A 52 14.685 27.185 30.587 1.00 20.00 H new ATOM 0 HB2 ARG A 52 16.867 25.967 29.848 1.00 20.00 H new ATOM 0 HB3 ARG A 52 16.772 26.934 28.389 1.00 20.00 H new ATOM 0 HG2 ARG A 52 18.247 28.101 29.880 1.00 20.00 H new ATOM 0 HG3 ARG A 52 16.752 29.015 29.862 1.00 20.00 H new ATOM 0 HD2 ARG A 52 16.056 28.117 32.001 1.00 20.00 H new ATOM 0 HD3 ARG A 52 17.281 26.865 31.960 1.00 20.00 H new ATOM 0 HE ARG A 52 18.882 28.996 31.892 1.00 20.00 H new ATOM 0 HH11 ARG A 52 16.005 28.552 33.973 1.00 20.00 H new ATOM 0 HH12 ARG A 52 16.654 29.617 35.224 1.00 20.00 H new ATOM 0 HH21 ARG A 52 19.635 30.335 33.518 1.00 20.00 H new ATOM 0 HH22 ARG A 52 18.668 30.605 34.972 1.00 20.00 H new ATOM 224 N GLN A 53 14.141 29.217 29.177 1.00 20.00 N ATOM 225 CA GLN A 53 13.732 30.396 28.408 1.00 20.00 C ATOM 226 C GLN A 53 14.916 31.133 27.748 1.00 20.00 C ATOM 227 O GLN A 53 14.771 32.288 27.342 1.00 20.00 O ATOM 228 CB GLN A 53 12.853 31.331 29.264 1.00 20.00 C ATOM 229 CG GLN A 53 11.499 30.698 29.616 1.00 20.00 C ATOM 230 CD GLN A 53 10.553 31.714 30.259 1.00 20.00 C ATOM 231 OE1 GLN A 53 10.040 32.606 29.587 1.00 20.00 O ATOM 232 NE2 GLN A 53 10.302 31.590 31.562 1.00 20.00 N ATOM 0 H GLN A 53 14.232 29.400 30.176 1.00 20.00 H new ATOM 0 HA GLN A 53 13.124 30.039 27.577 1.00 20.00 H new ATOM 0 HB2 GLN A 53 13.383 31.584 30.182 1.00 20.00 H new ATOM 0 HB3 GLN A 53 12.686 32.264 28.725 1.00 20.00 H new ATOM 0 HG2 GLN A 53 11.040 30.293 28.714 1.00 20.00 H new ATOM 0 HG3 GLN A 53 11.654 29.862 30.298 1.00 20.00 H new ATOM 0 HE21 GLN A 53 10.741 30.841 32.097 1.00 20.00 H new ATOM 0 HE22 GLN A 53 9.671 32.245 32.024 1.00 20.00 H new ATOM 241 N CYS A 54 16.078 30.476 27.598 1.00 20.00 N ATOM 242 CA CYS A 54 17.114 30.896 26.655 1.00 20.00 C ATOM 243 C CYS A 54 16.609 30.801 25.205 1.00 20.00 C ATOM 244 O CYS A 54 15.586 30.174 24.923 1.00 20.00 O ATOM 245 CB CYS A 54 18.378 30.034 26.814 1.00 20.00 C ATOM 246 SG CYS A 54 19.580 30.580 28.047 1.00 20.00 S ATOM 0 H CYS A 54 16.320 29.640 28.129 1.00 20.00 H new ATOM 0 HA CYS A 54 17.359 31.935 26.877 1.00 20.00 H new ATOM 0 HB2 CYS A 54 18.069 29.019 27.066 1.00 20.00 H new ATOM 0 HB3 CYS A 54 18.880 29.984 25.848 1.00 20.00 H new ATOM 251 N LYS A 55 17.383 31.378 24.275 1.00 20.00 N ATOM 252 CA LYS A 55 17.180 31.247 22.833 1.00 20.00 C ATOM 253 C LYS A 55 17.436 29.799 22.363 1.00 20.00 C ATOM 254 O LYS A 55 17.889 28.953 23.137 1.00 20.00 O ATOM 255 CB LYS A 55 18.063 32.296 22.124 1.00 20.00 C ATOM 256 CG LYS A 55 17.728 32.467 20.631 1.00 20.00 C ATOM 257 CD LYS A 55 18.180 33.791 19.998 1.00 20.00 C ATOM 258 CE LYS A 55 17.200 34.956 20.196 1.00 20.00 C ATOM 259 NZ LYS A 55 17.245 35.533 21.552 1.00 20.00 N ATOM 0 H LYS A 55 18.185 31.961 24.514 1.00 20.00 H new ATOM 0 HA LYS A 55 16.141 31.447 22.569 1.00 20.00 H new ATOM 0 HB2 LYS A 55 17.949 33.256 22.627 1.00 20.00 H new ATOM 0 HB3 LYS A 55 19.109 32.007 22.223 1.00 20.00 H new ATOM 0 HG2 LYS A 55 18.184 31.646 20.078 1.00 20.00 H new ATOM 0 HG3 LYS A 55 16.649 32.375 20.506 1.00 20.00 H new ATOM 0 HD2 LYS A 55 19.146 34.070 20.419 1.00 20.00 H new ATOM 0 HD3 LYS A 55 18.330 33.636 18.930 1.00 20.00 H new ATOM 0 HE2 LYS A 55 17.423 35.737 19.469 1.00 20.00 H new ATOM 0 HE3 LYS A 55 16.188 34.609 19.990 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 16.855 36.497 21.532 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 16.682 34.945 22.198 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 18.230 35.565 21.883 1.00 20.00 H new ATOM 273 N GLU A 56 17.131 29.520 21.089 1.00 20.00 N ATOM 274 CA GLU A 56 17.349 28.245 20.419 1.00 20.00 C ATOM 275 C GLU A 56 17.901 28.509 19.013 1.00 20.00 C ATOM 276 O GLU A 56 17.150 28.838 18.093 1.00 20.00 O ATOM 277 CB GLU A 56 16.038 27.442 20.417 1.00 20.00 C ATOM 278 CG GLU A 56 16.250 25.980 20.001 1.00 20.00 C ATOM 279 CD GLU A 56 14.949 25.175 20.065 1.00 20.00 C ATOM 280 OE1 GLU A 56 14.569 24.618 19.011 1.00 20.00 O ATOM 281 OE2 GLU A 56 14.347 25.114 21.161 1.00 20.00 O ATOM 0 H GLU A 56 16.706 30.214 20.474 1.00 20.00 H new ATOM 0 HA GLU A 56 18.088 27.641 20.946 1.00 20.00 H new ATOM 0 HB2 GLU A 56 15.594 27.473 21.412 1.00 20.00 H new ATOM 0 HB3 GLU A 56 15.328 27.912 19.736 1.00 20.00 H new ATOM 0 HG2 GLU A 56 16.649 25.945 18.987 1.00 20.00 H new ATOM 0 HG3 GLU A 56 16.994 25.521 20.653 1.00 20.00 H new ATOM 288 N LEU A 57 19.228 28.381 18.875 1.00 20.00 N ATOM 289 CA LEU A 57 19.982 28.510 17.625 1.00 20.00 C ATOM 290 C LEU A 57 19.650 27.354 16.655 1.00 20.00 C ATOM 291 O LEU A 57 18.867 26.460 16.985 1.00 20.00 O ATOM 292 CB LEU A 57 21.493 28.557 17.956 1.00 20.00 C ATOM 293 CG LEU A 57 22.062 29.890 18.498 1.00 20.00 C ATOM 294 CD1 LEU A 57 21.911 31.048 17.503 1.00 20.00 C ATOM 295 CD2 LEU A 57 21.499 30.308 19.862 1.00 20.00 C ATOM 0 H LEU A 57 19.831 28.175 19.671 1.00 20.00 H new ATOM 0 HA LEU A 57 19.699 29.434 17.121 1.00 20.00 H new ATOM 0 HB2 LEU A 57 21.701 27.779 18.690 1.00 20.00 H new ATOM 0 HB3 LEU A 57 22.044 28.298 17.052 1.00 20.00 H new ATOM 0 HG LEU A 57 23.122 29.679 18.637 1.00 20.00 H new ATOM 0 HD11 LEU A 57 22.327 31.957 17.937 1.00 20.00 H new ATOM 0 HD12 LEU A 57 22.443 30.808 16.582 1.00 20.00 H new ATOM 0 HD13 LEU A 57 20.855 31.202 17.282 1.00 20.00 H new ATOM 0 HD21 LEU A 57 21.950 31.252 20.168 1.00 20.00 H new ATOM 0 HD22 LEU A 57 20.418 30.430 19.788 1.00 20.00 H new ATOM 0 HD23 LEU A 57 21.728 29.540 20.601 1.00 20.00 H new ATOM 307 N GLN A 58 20.245 27.368 15.451 1.00 20.00 N ATOM 308 CA GLN A 58 20.018 26.354 14.413 1.00 20.00 C ATOM 309 C GLN A 58 21.237 25.472 14.132 1.00 20.00 C ATOM 310 O GLN A 58 21.078 24.372 13.604 1.00 20.00 O ATOM 311 CB GLN A 58 19.498 27.026 13.135 1.00 20.00 C ATOM 312 CG GLN A 58 20.529 27.892 12.392 1.00 20.00 C ATOM 313 CD GLN A 58 19.956 28.476 11.101 1.00 20.00 C ATOM 314 OE1 GLN A 58 19.596 29.651 11.044 1.00 20.00 O ATOM 315 NE2 GLN A 58 19.867 27.664 10.048 1.00 20.00 N ATOM 0 H GLN A 58 20.905 28.093 15.170 1.00 20.00 H new ATOM 0 HA GLN A 58 19.260 25.671 14.796 1.00 20.00 H new ATOM 0 HB2 GLN A 58 19.138 26.253 12.456 1.00 20.00 H new ATOM 0 HB3 GLN A 58 18.641 27.648 13.392 1.00 20.00 H new ATOM 0 HG2 GLN A 58 20.859 28.702 13.042 1.00 20.00 H new ATOM 0 HG3 GLN A 58 21.408 27.291 12.160 1.00 20.00 H new ATOM 0 HE21 GLN A 58 20.173 26.694 10.125 1.00 20.00 H new ATOM 0 HE22 GLN A 58 19.493 28.012 9.165 1.00 20.00 H new ATOM 324 N ALA A 59 22.432 25.935 14.515 1.00 20.00 N ATOM 325 CA ALA A 59 23.701 25.235 14.323 1.00 20.00 C ATOM 326 C ALA A 59 24.468 24.999 15.634 1.00 20.00 C ATOM 327 O ALA A 59 25.324 24.115 15.670 1.00 20.00 O ATOM 328 CB ALA A 59 24.545 26.011 13.309 1.00 20.00 C ATOM 0 H ALA A 59 22.543 26.835 14.981 1.00 20.00 H new ATOM 0 HA ALA A 59 23.483 24.239 13.938 1.00 20.00 H new ATOM 0 HB1 ALA A 59 25.495 25.498 13.158 1.00 20.00 H new ATOM 0 HB2 ALA A 59 24.010 26.072 12.361 1.00 20.00 H new ATOM 0 HB3 ALA A 59 24.732 27.017 13.685 1.00 20.00 H new ATOM 334 N GLU A 60 24.136 25.727 16.712 1.00 20.00 N ATOM 335 CA GLU A 60 24.686 25.528 18.050 1.00 20.00 C ATOM 336 C GLU A 60 23.715 24.768 18.969 1.00 20.00 C ATOM 337 O GLU A 60 24.150 24.253 19.999 1.00 20.00 O ATOM 338 CB GLU A 60 25.028 26.886 18.684 1.00 20.00 C ATOM 339 CG GLU A 60 26.249 27.594 18.080 1.00 20.00 C ATOM 340 CD GLU A 60 26.002 28.176 16.687 1.00 20.00 C ATOM 341 OE1 GLU A 60 26.799 27.858 15.779 1.00 20.00 O ATOM 342 OE2 GLU A 60 25.042 28.966 16.545 1.00 20.00 O ATOM 0 H GLU A 60 23.459 26.489 16.669 1.00 20.00 H new ATOM 0 HA GLU A 60 25.588 24.925 17.942 1.00 20.00 H new ATOM 0 HB2 GLU A 60 24.163 27.542 18.590 1.00 20.00 H new ATOM 0 HB3 GLU A 60 25.202 26.739 19.750 1.00 20.00 H new ATOM 0 HG2 GLU A 60 26.559 28.397 18.749 1.00 20.00 H new ATOM 0 HG3 GLU A 60 27.077 26.887 18.026 1.00 20.00 H new ATOM 349 N SER A 61 22.422 24.678 18.617 1.00 20.00 N ATOM 350 CA SER A 61 21.425 23.981 19.426 1.00 20.00 C ATOM 351 C SER A 61 21.702 22.473 19.466 1.00 20.00 C ATOM 352 O SER A 61 21.781 21.899 20.551 1.00 20.00 O ATOM 353 CB SER A 61 20.030 24.300 18.886 1.00 20.00 C ATOM 354 OG SER A 61 19.030 23.663 19.647 1.00 20.00 O ATOM 0 H SER A 61 22.045 25.088 17.763 1.00 20.00 H new ATOM 0 HA SER A 61 21.482 24.329 20.457 1.00 20.00 H new ATOM 0 HB2 SER A 61 19.870 25.378 18.900 1.00 20.00 H new ATOM 0 HB3 SER A 61 19.958 23.981 17.846 1.00 20.00 H new ATOM 0 HG SER A 61 18.149 23.885 19.281 1.00 20.00 H new ATOM 360 N ALA A 62 21.893 21.844 18.297 1.00 20.00 N ATOM 361 CA ALA A 62 22.277 20.439 18.184 1.00 20.00 C ATOM 362 C ALA A 62 23.713 20.163 18.668 1.00 20.00 C ATOM 363 O ALA A 62 24.016 19.021 19.014 1.00 20.00 O ATOM 364 CB ALA A 62 22.106 19.996 16.728 1.00 20.00 C ATOM 0 H ALA A 62 21.782 22.307 17.395 1.00 20.00 H new ATOM 0 HA ALA A 62 21.624 19.862 18.839 1.00 20.00 H new ATOM 0 HB1 ALA A 62 22.390 18.948 16.631 1.00 20.00 H new ATOM 0 HB2 ALA A 62 21.065 20.119 16.430 1.00 20.00 H new ATOM 0 HB3 ALA A 62 22.742 20.605 16.085 1.00 20.00 H new ATOM 370 N SER A 63 24.582 21.189 18.733 1.00 20.00 N ATOM 371 CA SER A 63 25.943 21.085 19.263 1.00 20.00 C ATOM 372 C SER A 63 25.955 20.831 20.781 1.00 20.00 C ATOM 373 O SER A 63 26.888 20.205 21.286 1.00 20.00 O ATOM 374 CB SER A 63 26.721 22.365 18.923 1.00 20.00 C ATOM 375 OG SER A 63 28.090 22.221 19.227 1.00 20.00 O ATOM 0 H SER A 63 24.348 22.128 18.411 1.00 20.00 H new ATOM 0 HA SER A 63 26.425 20.227 18.795 1.00 20.00 H new ATOM 0 HB2 SER A 63 26.602 22.596 17.864 1.00 20.00 H new ATOM 0 HB3 SER A 63 26.307 23.205 19.481 1.00 20.00 H new ATOM 0 HG SER A 63 28.621 22.772 18.614 1.00 20.00 H new ATOM 381 N CYS A 64 24.912 21.275 21.501 1.00 20.00 N ATOM 382 CA CYS A 64 24.734 21.029 22.930 1.00 20.00 C ATOM 383 C CYS A 64 24.297 19.598 23.270 1.00 20.00 C ATOM 384 O CYS A 64 24.358 19.216 24.438 1.00 20.00 O ATOM 385 CB CYS A 64 23.727 22.036 23.488 1.00 20.00 C ATOM 386 SG CYS A 64 24.413 23.700 23.673 1.00 20.00 S ATOM 0 H CYS A 64 24.157 21.826 21.092 1.00 20.00 H new ATOM 0 HA CYS A 64 25.711 21.155 23.396 1.00 20.00 H new ATOM 0 HB2 CYS A 64 22.861 22.078 22.828 1.00 20.00 H new ATOM 0 HB3 CYS A 64 23.372 21.686 24.457 1.00 20.00 H new ATOM 391 N GLY A 65 23.898 18.806 22.268 1.00 20.00 N ATOM 392 CA GLY A 65 23.564 17.394 22.397 1.00 20.00 C ATOM 393 C GLY A 65 22.072 17.118 22.209 1.00 20.00 C ATOM 394 O GLY A 65 21.261 18.036 22.075 1.00 20.00 O ATOM 0 H GLY A 65 23.797 19.149 21.313 1.00 20.00 H new ATOM 0 HA2 GLY A 65 24.130 16.823 21.661 1.00 20.00 H new ATOM 0 HA3 GLY A 65 23.873 17.041 23.381 1.00 20.00 H new ATOM 398 N LYS A 66 21.728 15.824 22.207 1.00 20.00 N ATOM 399 CA LYS A 66 20.375 15.300 22.063 1.00 20.00 C ATOM 400 C LYS A 66 19.534 15.691 23.283 1.00 20.00 C ATOM 401 O LYS A 66 19.800 15.226 24.391 1.00 20.00 O ATOM 402 CB LYS A 66 20.456 13.777 21.871 1.00 20.00 C ATOM 403 CG LYS A 66 19.090 13.159 21.537 1.00 20.00 C ATOM 404 CD LYS A 66 19.187 11.649 21.283 1.00 20.00 C ATOM 405 CE LYS A 66 19.415 10.880 22.588 1.00 20.00 C ATOM 406 NZ LYS A 66 19.600 9.438 22.346 1.00 20.00 N ATOM 0 H LYS A 66 22.422 15.084 22.311 1.00 20.00 H new ATOM 0 HA LYS A 66 19.884 15.727 21.188 1.00 20.00 H new ATOM 0 HB2 LYS A 66 21.160 13.551 21.070 1.00 20.00 H new ATOM 0 HB3 LYS A 66 20.848 13.319 22.779 1.00 20.00 H new ATOM 0 HG2 LYS A 66 18.398 13.344 22.358 1.00 20.00 H new ATOM 0 HG3 LYS A 66 18.677 13.649 20.655 1.00 20.00 H new ATOM 0 HD2 LYS A 66 18.271 11.298 20.807 1.00 20.00 H new ATOM 0 HD3 LYS A 66 20.004 11.446 20.591 1.00 20.00 H new ATOM 0 HE2 LYS A 66 20.292 11.279 23.097 1.00 20.00 H new ATOM 0 HE3 LYS A 66 18.565 11.031 23.253 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 19.752 8.951 23.252 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 18.752 9.052 21.883 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 20.427 9.292 21.732 1.00 20.00 H new ATOM 420 N GLY A 67 18.536 16.560 23.074 1.00 20.00 N ATOM 421 CA GLY A 67 17.642 17.039 24.123 1.00 20.00 C ATOM 422 C GLY A 67 18.081 18.354 24.780 1.00 20.00 C ATOM 423 O GLY A 67 17.536 18.698 25.827 1.00 20.00 O ATOM 0 H GLY A 67 18.329 16.953 22.156 1.00 20.00 H new ATOM 0 HA2 GLY A 67 16.646 17.173 23.701 1.00 20.00 H new ATOM 0 HA3 GLY A 67 17.562 16.272 24.893 1.00 20.00 H new ATOM 427 N GLN A 68 19.048 19.081 24.195 1.00 20.00 N ATOM 428 CA GLN A 68 19.554 20.366 24.688 1.00 20.00 C ATOM 429 C GLN A 68 19.579 21.423 23.576 1.00 20.00 C ATOM 430 O GLN A 68 19.364 21.123 22.401 1.00 20.00 O ATOM 431 CB GLN A 68 20.958 20.183 25.293 1.00 20.00 C ATOM 432 CG GLN A 68 20.934 19.452 26.639 1.00 20.00 C ATOM 433 CD GLN A 68 22.325 19.400 27.271 1.00 20.00 C ATOM 434 OE1 GLN A 68 22.905 20.431 27.604 1.00 20.00 O ATOM 435 NE2 GLN A 68 22.872 18.200 27.457 1.00 20.00 N ATOM 0 H GLN A 68 19.512 18.778 23.339 1.00 20.00 H new ATOM 0 HA GLN A 68 18.876 20.722 25.464 1.00 20.00 H new ATOM 0 HB2 GLN A 68 21.580 19.625 24.593 1.00 20.00 H new ATOM 0 HB3 GLN A 68 21.422 21.160 25.424 1.00 20.00 H new ATOM 0 HG2 GLN A 68 20.244 19.956 27.316 1.00 20.00 H new ATOM 0 HG3 GLN A 68 20.559 18.438 26.498 1.00 20.00 H new ATOM 0 HE21 GLN A 68 22.369 17.360 27.171 1.00 20.00 H new ATOM 0 HE22 GLN A 68 23.794 18.121 27.885 1.00 20.00 H new ATOM 444 N LYS A 69 19.852 22.673 23.979 1.00 20.00 N ATOM 445 CA LYS A 69 20.007 23.841 23.117 1.00 20.00 C ATOM 446 C LYS A 69 21.034 24.827 23.700 1.00 20.00 C ATOM 447 O LYS A 69 21.413 24.726 24.867 1.00 20.00 O ATOM 448 CB LYS A 69 18.638 24.508 22.889 1.00 20.00 C ATOM 449 CG LYS A 69 17.922 24.934 24.182 1.00 20.00 C ATOM 450 CD LYS A 69 16.610 25.661 23.850 1.00 20.00 C ATOM 451 CE LYS A 69 15.941 26.226 25.103 1.00 20.00 C ATOM 452 NZ LYS A 69 16.642 27.418 25.597 1.00 20.00 N ATOM 0 H LYS A 69 19.976 22.902 24.965 1.00 20.00 H new ATOM 0 HA LYS A 69 20.393 23.518 22.150 1.00 20.00 H new ATOM 0 HB2 LYS A 69 18.774 25.385 22.256 1.00 20.00 H new ATOM 0 HB3 LYS A 69 17.996 23.817 22.342 1.00 20.00 H new ATOM 0 HG2 LYS A 69 17.715 24.058 24.797 1.00 20.00 H new ATOM 0 HG3 LYS A 69 18.570 25.587 24.766 1.00 20.00 H new ATOM 0 HD2 LYS A 69 16.811 26.471 23.149 1.00 20.00 H new ATOM 0 HD3 LYS A 69 15.928 24.971 23.353 1.00 20.00 H new ATOM 0 HE2 LYS A 69 14.904 26.479 24.881 1.00 20.00 H new ATOM 0 HE3 LYS A 69 15.923 25.464 25.882 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 16.006 27.965 26.212 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 17.481 27.128 26.138 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 16.936 28.007 24.792 1.00 20.00 H new ATOM 466 N CYS A 70 21.461 25.796 22.878 1.00 20.00 N ATOM 467 CA CYS A 70 22.438 26.827 23.230 1.00 20.00 C ATOM 468 C CYS A 70 21.725 28.158 23.498 1.00 20.00 C ATOM 469 O CYS A 70 20.786 28.511 22.785 1.00 20.00 O ATOM 470 CB CYS A 70 23.438 26.967 22.073 1.00 20.00 C ATOM 471 SG CYS A 70 24.849 28.075 22.359 1.00 20.00 S ATOM 0 H CYS A 70 21.123 25.883 21.920 1.00 20.00 H new ATOM 0 HA CYS A 70 22.971 26.545 24.138 1.00 20.00 H new ATOM 0 HB2 CYS A 70 23.824 25.976 21.833 1.00 20.00 H new ATOM 0 HB3 CYS A 70 22.898 27.320 21.195 1.00 20.00 H new ATOM 476 N CYS A 71 22.197 28.907 24.504 1.00 20.00 N ATOM 477 CA CYS A 71 21.769 30.278 24.788 1.00 20.00 C ATOM 478 C CYS A 71 22.433 31.284 23.821 1.00 20.00 C ATOM 479 O CYS A 71 23.234 30.914 22.961 1.00 20.00 O ATOM 480 CB CYS A 71 22.101 30.598 26.256 1.00 20.00 C ATOM 481 SG CYS A 71 21.282 29.575 27.520 1.00 20.00 S ATOM 0 H CYS A 71 22.903 28.566 25.156 1.00 20.00 H new ATOM 0 HA CYS A 71 20.694 30.367 24.634 1.00 20.00 H new ATOM 0 HB2 CYS A 71 23.179 30.506 26.389 1.00 20.00 H new ATOM 0 HB3 CYS A 71 21.845 31.641 26.444 1.00 20.00 H new ATOM 486 N VAL A 72 22.086 32.572 23.968 1.00 20.00 N ATOM 487 CA VAL A 72 22.624 33.718 23.218 1.00 20.00 C ATOM 488 C VAL A 72 24.143 33.914 23.407 1.00 20.00 C ATOM 489 O VAL A 72 24.783 33.217 24.196 1.00 20.00 O ATOM 490 CB VAL A 72 21.859 35.007 23.606 1.00 20.00 C ATOM 491 CG1 VAL A 72 20.369 34.888 23.260 1.00 20.00 C ATOM 492 CG2 VAL A 72 22.057 35.381 25.086 1.00 20.00 C ATOM 0 H VAL A 72 21.384 32.858 24.651 1.00 20.00 H new ATOM 0 HA VAL A 72 22.475 33.501 22.160 1.00 20.00 H new ATOM 0 HB VAL A 72 22.283 35.819 23.015 1.00 20.00 H new ATOM 0 HG11 VAL A 72 19.855 35.807 23.543 1.00 20.00 H new ATOM 0 HG12 VAL A 72 20.256 34.724 22.188 1.00 20.00 H new ATOM 0 HG13 VAL A 72 19.935 34.048 23.803 1.00 20.00 H new ATOM 0 HG21 VAL A 72 21.501 36.292 25.309 1.00 20.00 H new ATOM 0 HG22 VAL A 72 21.694 34.570 25.718 1.00 20.00 H new ATOM 0 HG23 VAL A 72 23.117 35.546 25.281 1.00 20.00 H new ATOM 502 N TRP A 73 24.713 34.892 22.684 1.00 20.00 N ATOM 503 CA TRP A 73 26.137 35.208 22.660 1.00 20.00 C ATOM 504 C TRP A 73 26.429 36.713 22.815 1.00 20.00 C ATOM 505 O TRP A 73 27.590 37.064 23.021 1.00 20.00 O ATOM 506 CB TRP A 73 26.733 34.643 21.362 1.00 20.00 C ATOM 507 CG TRP A 73 26.036 35.042 20.095 1.00 20.00 C ATOM 508 CD1 TRP A 73 24.991 34.395 19.532 1.00 20.00 C ATOM 509 CD2 TRP A 73 26.293 36.191 19.236 1.00 20.00 C ATOM 510 NE1 TRP A 73 24.602 35.047 18.381 1.00 20.00 N ATOM 511 CE2 TRP A 73 25.379 36.161 18.144 1.00 20.00 C ATOM 512 CE3 TRP A 73 27.206 37.258 19.285 1.00 20.00 C ATOM 513 CZ2 TRP A 73 25.388 37.137 17.135 1.00 20.00 C ATOM 514 CZ3 TRP A 73 27.222 38.252 18.286 1.00 20.00 C ATOM 515 CH2 TRP A 73 26.318 38.189 17.210 1.00 20.00 C ATOM 0 H TRP A 73 24.166 35.504 22.079 1.00 20.00 H new ATOM 0 HA TRP A 73 26.610 34.742 23.524 1.00 20.00 H new ATOM 0 HB2 TRP A 73 27.775 34.957 21.296 1.00 20.00 H new ATOM 0 HB3 TRP A 73 26.732 33.555 21.428 1.00 20.00 H new ATOM 0 HD1 TRP A 73 24.530 33.501 19.925 1.00 20.00 H new ATOM 0 HE1 TRP A 73 23.836 34.743 17.780 1.00 20.00 H new ATOM 0 HE3 TRP A 73 27.908 37.317 20.103 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 24.690 37.081 16.313 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 27.931 39.065 18.347 1.00 20.00 H new ATOM 0 HH2 TRP A 73 26.338 38.948 16.442 1.00 20.00 H new ATOM 526 N LEU A 74 25.411 37.592 22.754 1.00 20.00 N ATOM 527 CA LEU A 74 25.563 39.037 22.967 1.00 20.00 C ATOM 528 C LEU A 74 24.318 39.698 23.582 1.00 20.00 C ATOM 529 O LEU A 74 24.469 40.603 24.403 1.00 20.00 O ATOM 530 CB LEU A 74 25.915 39.718 21.627 1.00 20.00 C ATOM 531 CG LEU A 74 26.617 41.085 21.772 1.00 20.00 C ATOM 532 CD1 LEU A 74 28.074 40.916 22.231 1.00 20.00 C ATOM 533 CD2 LEU A 74 26.618 41.828 20.428 1.00 20.00 C ATOM 0 H LEU A 74 24.451 37.312 22.553 1.00 20.00 H new ATOM 0 HA LEU A 74 26.369 39.170 23.689 1.00 20.00 H new ATOM 0 HB2 LEU A 74 26.559 39.052 21.053 1.00 20.00 H new ATOM 0 HB3 LEU A 74 25.000 39.852 21.050 1.00 20.00 H new ATOM 0 HG LEU A 74 26.066 41.656 22.520 1.00 20.00 H new ATOM 0 HD11 LEU A 74 28.542 41.896 22.324 1.00 20.00 H new ATOM 0 HD12 LEU A 74 28.095 40.411 23.197 1.00 20.00 H new ATOM 0 HD13 LEU A 74 28.620 40.321 21.498 1.00 20.00 H new ATOM 0 HD21 LEU A 74 27.116 42.790 20.545 1.00 20.00 H new ATOM 0 HD22 LEU A 74 27.148 41.233 19.684 1.00 20.00 H new ATOM 0 HD23 LEU A 74 25.591 41.988 20.100 1.00 20.00 H new ATOM 545 N HIS A 75 23.106 39.273 23.187 1.00 20.00 N ATOM 546 CA HIS A 75 21.836 39.870 23.606 1.00 20.00 C ATOM 547 C HIS A 75 20.775 38.783 23.785 1.00 20.00 C ATOM 548 O HIS A 75 20.405 38.165 22.764 1.00 20.00 O ATOM 549 CB HIS A 75 21.367 40.913 22.574 1.00 20.00 C ATOM 550 CG HIS A 75 22.160 42.196 22.590 1.00 20.00 C ATOM 551 ND1 HIS A 75 23.198 42.522 21.739 1.00 20.00 N ATOM 552 CD2 HIS A 75 21.955 43.248 23.438 1.00 20.00 C ATOM 553 CE1 HIS A 75 23.618 43.756 22.072 1.00 20.00 C ATOM 554 NE2 HIS A 75 22.873 44.220 23.095 1.00 20.00 N ATOM 555 OXT HIS A 75 20.321 38.604 24.937 1.00 20.00 O ATOM 0 H HIS A 75 22.984 38.485 22.551 1.00 20.00 H new ATOM 0 HA HIS A 75 21.985 40.373 24.562 1.00 20.00 H new ATOM 0 HB2 HIS A 75 21.426 40.475 21.578 1.00 20.00 H new ATOM 0 HB3 HIS A 75 20.318 41.145 22.759 1.00 20.00 H new ATOM 0 HD2 HIS A 75 21.217 43.307 24.225 1.00 20.00 H new ATOM 0 HE1 HIS A 75 24.426 44.291 21.594 1.00 20.00 H new ATOM 0 HE2 HIS A 75 22.971 45.133 23.539 1.00 20.00 H new TER 564 HIS A 75