USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 426 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 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl -125:sc= -0.041 (180deg=-0.558) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0159) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 LYS NZ :NH3+ -154:sc= -0.139 (180deg=-0.669) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 8 ASN : amide:sc= -1.03 X(o=-1,f=-0.84) USER MOD Single : A 9 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 140:sc= 0.352! USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= -0.0336 (180deg=-0.327) USER MOD Single : A 17 ASN : amide:sc= -0.606 X(o=-0.61,f=-1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= -0.937 (180deg=-1.18) USER MOD Single : A 27 ASN : amide:sc= 0.843 K(o=0.84,f=-0.69) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 153:sc= -0.0301 (180deg=-0.548) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.245 F(o=-1.2,f=-0.25) USER MOD Single : A 46 MET CE :methyl -149:sc= -0.61 (180deg=-1.97) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.39 X(o=-0.39,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.295 K(o=-0.3,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C MET A 1 1.152 -0.259 -2.439 1.00 1.00 C ATOM 4 O MET A 1 1.201 0.463 -3.434 1.00 1.00 O ATOM 5 CB MET A 1 3.155 -1.081 -1.191 1.00 1.00 C ATOM 6 CG MET A 1 4.136 -0.933 -2.356 1.00 1.00 C ATOM 7 SD MET A 1 5.265 0.411 -2.037 1.00 1.00 S ATOM 8 CE MET A 1 6.353 -0.371 -0.857 1.00 1.00 C ATOM 0 H1 MET A 1 1.960 0.245 0.786 1.00 1.00 H new ATOM 0 H2 MET A 1 0.558 0.700 -0.056 1.00 1.00 H new ATOM 0 H3 MET A 1 0.921 -0.944 0.162 1.00 1.00 H new ATOM 0 HA MET A 1 2.532 0.981 -1.371 1.00 1.00 H new ATOM 0 HB2 MET A 1 3.694 -1.014 -0.246 1.00 1.00 H new ATOM 0 HB3 MET A 1 2.691 -2.067 -1.224 1.00 1.00 H new ATOM 0 HG2 MET A 1 4.692 -1.860 -2.494 1.00 1.00 H new ATOM 0 HG3 MET A 1 3.590 -0.748 -3.281 1.00 1.00 H new ATOM 0 HE1 MET A 1 6.397 0.230 0.051 1.00 1.00 H new ATOM 0 HE2 MET A 1 5.975 -1.364 -0.616 1.00 1.00 H new ATOM 0 HE3 MET A 1 7.352 -0.457 -1.285 1.00 1.00 H new ATOM 18 N GLN A 2 0.333 -1.292 -2.300 1.00 1.00 N ATOM 19 CA GLN A 2 -0.599 -1.655 -3.355 1.00 1.00 C ATOM 20 C GLN A 2 -1.689 -2.578 -2.805 1.00 1.00 C ATOM 21 O GLN A 2 -1.391 -3.566 -2.136 1.00 1.00 O ATOM 22 CB GLN A 2 0.132 -2.308 -4.530 1.00 1.00 C ATOM 23 CG GLN A 2 0.934 -3.526 -4.068 1.00 1.00 C ATOM 24 CD GLN A 2 1.952 -3.947 -5.131 1.00 1.00 C ATOM 25 OE1 GLN A 2 3.144 -3.720 -5.010 1.00 1.00 O ATOM 26 NE2 GLN A 2 1.415 -4.571 -6.176 1.00 1.00 N ATOM 0 H GLN A 2 0.295 -1.889 -1.474 1.00 1.00 H new ATOM 0 HA GLN A 2 -1.073 -0.746 -3.725 1.00 1.00 H new ATOM 0 HB2 GLN A 2 -0.589 -2.610 -5.289 1.00 1.00 H new ATOM 0 HB3 GLN A 2 0.800 -1.583 -4.995 1.00 1.00 H new ATOM 0 HG2 GLN A 2 1.450 -3.294 -3.136 1.00 1.00 H new ATOM 0 HG3 GLN A 2 0.257 -4.354 -3.859 1.00 1.00 H new ATOM 0 HE21 GLN A 2 0.408 -4.729 -6.214 1.00 1.00 H new ATOM 0 HE22 GLN A 2 2.010 -4.892 -6.940 1.00 1.00 H new ATOM 35 N LYS A 3 -2.928 -2.222 -3.108 1.00 1.00 N ATOM 36 CA LYS A 3 -4.064 -3.006 -2.653 1.00 1.00 C ATOM 37 C LYS A 3 -3.820 -3.461 -1.213 1.00 1.00 C ATOM 38 O LYS A 3 -4.228 -4.556 -0.827 1.00 1.00 O ATOM 39 CB LYS A 3 -4.345 -4.155 -3.623 1.00 1.00 C ATOM 40 CG LYS A 3 -3.273 -5.241 -3.510 1.00 1.00 C ATOM 41 CD LYS A 3 -2.202 -5.068 -4.589 1.00 1.00 C ATOM 42 CE LYS A 3 -2.669 -5.650 -5.924 1.00 1.00 C ATOM 43 NZ LYS A 3 -2.825 -7.119 -5.823 1.00 1.00 N ATOM 0 H LYS A 3 -3.171 -1.401 -3.663 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.969 -2.398 -2.646 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -5.325 -4.583 -3.412 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -4.376 -3.775 -4.644 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -2.811 -5.200 -2.524 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -3.734 -6.224 -3.605 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -1.971 -4.010 -4.711 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -1.282 -5.561 -4.275 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -3.617 -5.197 -6.213 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -1.948 -5.408 -6.705 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -2.705 -7.546 -6.763 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -2.107 -7.501 -5.175 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -3.773 -7.343 -5.460 1.00 1.00 H new ATOM 56 N GLY A 4 -3.155 -2.599 -0.458 1.00 1.00 N ATOM 57 CA GLY A 4 -2.851 -2.899 0.931 1.00 1.00 C ATOM 58 C GLY A 4 -4.015 -3.633 1.600 1.00 1.00 C ATOM 59 O GLY A 4 -5.172 -3.249 1.435 1.00 1.00 O ATOM 0 H GLY A 4 -2.818 -1.692 -0.782 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -1.951 -3.511 0.986 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -2.642 -1.975 1.469 1.00 1.00 H new ATOM 63 N ASN A 5 -3.668 -4.675 2.342 1.00 1.00 N ATOM 64 CA ASN A 5 -4.670 -5.465 3.037 1.00 1.00 C ATOM 65 C ASN A 5 -4.372 -5.453 4.537 1.00 1.00 C ATOM 66 O ASN A 5 -3.307 -5.895 4.966 1.00 1.00 O ATOM 67 CB ASN A 5 -4.650 -6.919 2.562 1.00 1.00 C ATOM 68 CG ASN A 5 -5.005 -7.017 1.077 1.00 1.00 C ATOM 69 OD1 ASN A 5 -4.172 -7.294 0.230 1.00 1.00 O ATOM 70 ND2 ASN A 5 -6.285 -6.774 0.810 1.00 1.00 N ATOM 0 H ASN A 5 -2.707 -4.990 2.477 1.00 1.00 H new ATOM 0 HA ASN A 5 -5.648 -5.031 2.828 1.00 1.00 H new ATOM 0 HB2 ASN A 5 -3.662 -7.347 2.732 1.00 1.00 H new ATOM 0 HB3 ASN A 5 -5.357 -7.506 3.148 1.00 1.00 H new ATOM 0 HD21 ASN A 5 -6.622 -6.814 -0.152 1.00 1.00 H new ATOM 0 HD22 ASN A 5 -6.930 -6.548 1.567 1.00 1.00 H new ATOM 77 N PHE A 6 -5.331 -4.941 5.295 1.00 1.00 N ATOM 78 CA PHE A 6 -5.184 -4.865 6.738 1.00 1.00 C ATOM 79 C PHE A 6 -3.770 -4.428 7.124 1.00 1.00 C ATOM 80 O PHE A 6 -3.026 -3.913 6.290 1.00 1.00 O ATOM 81 CB PHE A 6 -5.439 -6.271 7.288 1.00 1.00 C ATOM 82 CG PHE A 6 -4.394 -7.304 6.861 1.00 1.00 C ATOM 83 CD1 PHE A 6 -3.284 -7.503 7.622 1.00 1.00 C ATOM 84 CD2 PHE A 6 -4.576 -8.024 5.722 1.00 1.00 C ATOM 85 CE1 PHE A 6 -2.315 -8.462 7.226 1.00 1.00 C ATOM 86 CE2 PHE A 6 -3.607 -8.984 5.326 1.00 1.00 C ATOM 87 CZ PHE A 6 -2.497 -9.182 6.087 1.00 1.00 C ATOM 0 H PHE A 6 -6.213 -4.575 4.936 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.884 -4.135 7.145 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -5.466 -6.225 8.377 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -6.422 -6.606 6.959 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -3.140 -6.932 8.527 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -5.457 -7.866 5.118 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -1.433 -8.620 7.829 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -3.751 -9.556 4.422 1.00 1.00 H new ATOM 0 HZ PHE A 6 -1.760 -9.912 5.786 1.00 1.00 H new ATOM 97 N ARG A 7 -3.440 -4.650 8.388 1.00 1.00 N ATOM 98 CA ARG A 7 -2.128 -4.285 8.894 1.00 1.00 C ATOM 99 C ARG A 7 -1.049 -5.162 8.253 1.00 1.00 C ATOM 100 O ARG A 7 -1.324 -5.898 7.307 1.00 1.00 O ATOM 101 CB ARG A 7 -2.062 -4.437 10.415 1.00 1.00 C ATOM 102 CG ARG A 7 -2.231 -5.901 10.827 1.00 1.00 C ATOM 103 CD ARG A 7 -3.697 -6.221 11.123 1.00 1.00 C ATOM 104 NE ARG A 7 -3.788 -7.200 12.229 1.00 1.00 N ATOM 105 CZ ARG A 7 -3.800 -6.866 13.537 1.00 1.00 C ATOM 106 NH1 ARG A 7 -3.727 -5.571 13.914 1.00 1.00 N ATOM 107 NH2 ARG A 7 -3.884 -7.823 14.442 1.00 1.00 N ATOM 0 H ARG A 7 -4.059 -5.078 9.077 1.00 1.00 H new ATOM 0 HA ARG A 7 -1.952 -3.240 8.637 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -1.107 -4.060 10.781 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -2.842 -3.833 10.879 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -1.867 -6.551 10.031 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -1.625 -6.107 11.709 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -4.230 -5.308 11.389 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -4.178 -6.622 10.231 1.00 1.00 H new ATOM 0 HE ARG A 7 -3.845 -8.189 11.988 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -3.662 -4.837 13.208 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -3.737 -5.327 14.904 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -3.939 -8.799 14.149 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -3.894 -7.587 15.434 1.00 1.00 H new ATOM 120 N ASN A 8 0.155 -5.054 8.795 1.00 1.00 N ATOM 121 CA ASN A 8 1.275 -5.828 8.289 1.00 1.00 C ATOM 122 C ASN A 8 1.712 -5.260 6.937 1.00 1.00 C ATOM 123 O ASN A 8 1.002 -4.453 6.340 1.00 1.00 O ATOM 124 CB ASN A 8 0.885 -7.293 8.083 1.00 1.00 C ATOM 125 CG ASN A 8 2.126 -8.182 7.982 1.00 1.00 C ATOM 126 OD1 ASN A 8 2.826 -8.427 8.951 1.00 1.00 O ATOM 127 ND2 ASN A 8 2.358 -8.651 6.760 1.00 1.00 N ATOM 0 H ASN A 8 0.379 -4.442 9.580 1.00 1.00 H new ATOM 0 HA ASN A 8 2.082 -5.770 9.019 1.00 1.00 H new ATOM 0 HB2 ASN A 8 0.261 -7.627 8.912 1.00 1.00 H new ATOM 0 HB3 ASN A 8 0.289 -7.390 7.176 1.00 1.00 H new ATOM 0 HD21 ASN A 8 3.162 -9.255 6.590 1.00 1.00 H new ATOM 0 HD22 ASN A 8 1.732 -8.407 5.993 1.00 1.00 H new ATOM 134 N GLN A 9 2.878 -5.705 6.493 1.00 1.00 N ATOM 135 CA GLN A 9 3.418 -5.251 5.223 1.00 1.00 C ATOM 136 C GLN A 9 3.727 -3.754 5.281 1.00 1.00 C ATOM 137 O GLN A 9 2.951 -2.937 4.788 1.00 1.00 O ATOM 138 CB GLN A 9 2.458 -5.568 4.075 1.00 1.00 C ATOM 139 CG GLN A 9 2.590 -7.029 3.637 1.00 1.00 C ATOM 140 CD GLN A 9 3.461 -7.149 2.385 1.00 1.00 C ATOM 141 OE1 GLN A 9 4.158 -6.229 1.991 1.00 1.00 O ATOM 142 NE2 GLN A 9 3.382 -8.333 1.783 1.00 1.00 N ATOM 0 H GLN A 9 3.464 -6.376 6.990 1.00 1.00 H new ATOM 0 HA GLN A 9 4.348 -5.787 5.034 1.00 1.00 H new ATOM 0 HB2 GLN A 9 1.433 -5.370 4.388 1.00 1.00 H new ATOM 0 HB3 GLN A 9 2.666 -4.911 3.230 1.00 1.00 H new ATOM 0 HG2 GLN A 9 3.025 -7.617 4.445 1.00 1.00 H new ATOM 0 HG3 GLN A 9 1.602 -7.444 3.438 1.00 1.00 H new ATOM 0 HE21 GLN A 9 2.778 -9.061 2.166 1.00 1.00 H new ATOM 0 HE22 GLN A 9 3.925 -8.513 0.939 1.00 1.00 H new ATOM 151 N ARG A 10 4.862 -3.440 5.889 1.00 1.00 N ATOM 152 CA ARG A 10 5.283 -2.055 6.019 1.00 1.00 C ATOM 153 C ARG A 10 4.425 -1.335 7.061 1.00 1.00 C ATOM 154 O ARG A 10 4.868 -1.108 8.186 1.00 1.00 O ATOM 155 CB ARG A 10 5.174 -1.319 4.682 1.00 1.00 C ATOM 156 CG ARG A 10 6.525 -0.733 4.267 1.00 1.00 C ATOM 157 CD ARG A 10 6.426 -0.030 2.912 1.00 1.00 C ATOM 158 NE ARG A 10 5.781 1.292 3.074 1.00 1.00 N ATOM 159 CZ ARG A 10 4.446 1.492 3.042 1.00 1.00 C ATOM 160 NH1 ARG A 10 3.602 0.456 2.853 1.00 1.00 N ATOM 161 NH2 ARG A 10 3.978 2.717 3.197 1.00 1.00 N ATOM 0 H ARG A 10 5.503 -4.121 6.297 1.00 1.00 H new ATOM 0 HA ARG A 10 6.325 -2.054 6.338 1.00 1.00 H new ATOM 0 HB2 ARG A 10 4.820 -2.005 3.913 1.00 1.00 H new ATOM 0 HB3 ARG A 10 4.436 -0.521 4.761 1.00 1.00 H new ATOM 0 HG2 ARG A 10 6.866 -0.026 5.023 1.00 1.00 H new ATOM 0 HG3 ARG A 10 7.269 -1.528 4.215 1.00 1.00 H new ATOM 0 HD2 ARG A 10 7.420 0.091 2.482 1.00 1.00 H new ATOM 0 HD3 ARG A 10 5.851 -0.642 2.217 1.00 1.00 H new ATOM 0 HE ARG A 10 6.383 2.103 3.219 1.00 1.00 H new ATOM 0 HH11 ARG A 10 3.971 -0.487 2.733 1.00 1.00 H new ATOM 0 HH12 ARG A 10 2.595 0.616 2.830 1.00 1.00 H new ATOM 0 HH21 ARG A 10 4.622 3.495 3.338 1.00 1.00 H new ATOM 0 HH22 ARG A 10 2.972 2.885 3.175 1.00 1.00 H new ATOM 174 N LYS A 11 3.212 -0.995 6.649 1.00 1.00 N ATOM 175 CA LYS A 11 2.288 -0.305 7.533 1.00 1.00 C ATOM 176 C LYS A 11 0.931 -0.168 6.839 1.00 1.00 C ATOM 177 O LYS A 11 -0.051 -0.776 7.262 1.00 1.00 O ATOM 178 CB LYS A 11 2.881 1.028 7.993 1.00 1.00 C ATOM 179 CG LYS A 11 3.619 0.870 9.324 1.00 1.00 C ATOM 180 CD LYS A 11 3.063 1.831 10.377 1.00 1.00 C ATOM 181 CE LYS A 11 3.568 3.256 10.139 1.00 1.00 C ATOM 182 NZ LYS A 11 4.081 3.841 11.399 1.00 1.00 N ATOM 0 H LYS A 11 2.848 -1.185 5.715 1.00 1.00 H new ATOM 0 HA LYS A 11 2.125 -0.885 8.441 1.00 1.00 H new ATOM 0 HB2 LYS A 11 3.567 1.405 7.235 1.00 1.00 H new ATOM 0 HB3 LYS A 11 2.086 1.766 8.099 1.00 1.00 H new ATOM 0 HG2 LYS A 11 3.524 -0.157 9.677 1.00 1.00 H new ATOM 0 HG3 LYS A 11 4.683 1.060 9.179 1.00 1.00 H new ATOM 0 HD2 LYS A 11 1.973 1.818 10.348 1.00 1.00 H new ATOM 0 HD3 LYS A 11 3.359 1.498 11.372 1.00 1.00 H new ATOM 0 HE2 LYS A 11 4.357 3.248 9.387 1.00 1.00 H new ATOM 0 HE3 LYS A 11 2.760 3.874 9.747 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 4.420 4.808 11.220 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 3.318 3.866 12.106 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 4.866 3.260 11.757 1.00 1.00 H new ATOM 195 N THR A 12 0.920 0.635 5.786 1.00 1.00 N ATOM 196 CA THR A 12 -0.300 0.860 5.029 1.00 1.00 C ATOM 197 C THR A 12 -1.469 1.143 5.974 1.00 1.00 C ATOM 198 O THR A 12 -1.279 1.700 7.054 1.00 1.00 O ATOM 199 CB THR A 12 -0.527 -0.355 4.127 1.00 1.00 C ATOM 200 OG1 THR A 12 -1.676 -0.006 3.359 1.00 1.00 O ATOM 201 CG2 THR A 12 -0.965 -1.593 4.912 1.00 1.00 C ATOM 0 H THR A 12 1.736 1.138 5.439 1.00 1.00 H new ATOM 0 HA THR A 12 -0.216 1.742 4.395 1.00 1.00 H new ATOM 0 HB THR A 12 0.389 -0.578 3.580 1.00 1.00 H new ATOM 0 HG1 THR A 12 -1.554 -0.305 2.434 1.00 1.00 H new ATOM 0 HG21 THR A 12 -1.112 -2.426 4.225 1.00 1.00 H new ATOM 0 HG22 THR A 12 -0.196 -1.854 5.639 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.899 -1.382 5.432 1.00 1.00 H new ATOM 209 N VAL A 13 -2.654 0.745 5.534 1.00 1.00 N ATOM 210 CA VAL A 13 -3.854 0.948 6.327 1.00 1.00 C ATOM 211 C VAL A 13 -3.907 2.402 6.800 1.00 1.00 C ATOM 212 O VAL A 13 -3.045 3.206 6.447 1.00 1.00 O ATOM 213 CB VAL A 13 -3.897 -0.058 7.479 1.00 1.00 C ATOM 214 CG1 VAL A 13 -3.684 -1.484 6.969 1.00 1.00 C ATOM 215 CG2 VAL A 13 -2.870 0.298 8.556 1.00 1.00 C ATOM 0 H VAL A 13 -2.808 0.283 4.638 1.00 1.00 H new ATOM 0 HA VAL A 13 -4.745 0.769 5.725 1.00 1.00 H new ATOM 0 HB VAL A 13 -4.888 -0.008 7.931 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -3.719 -2.179 7.808 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -4.468 -1.736 6.255 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -2.712 -1.554 6.480 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -2.921 -0.433 9.363 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -1.870 0.290 8.122 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -3.086 1.291 8.951 1.00 1.00 H new ATOM 225 N LYS A 14 -4.927 2.696 7.593 1.00 1.00 N ATOM 226 CA LYS A 14 -5.103 4.039 8.119 1.00 1.00 C ATOM 227 C LYS A 14 -5.686 3.957 9.531 1.00 1.00 C ATOM 228 O LYS A 14 -6.622 3.199 9.777 1.00 1.00 O ATOM 229 CB LYS A 14 -5.940 4.886 7.157 1.00 1.00 C ATOM 230 CG LYS A 14 -7.282 4.213 6.859 1.00 1.00 C ATOM 231 CD LYS A 14 -8.031 4.950 5.748 1.00 1.00 C ATOM 232 CE LYS A 14 -9.534 4.676 5.824 1.00 1.00 C ATOM 233 NZ LYS A 14 -10.126 5.360 6.996 1.00 1.00 N ATOM 0 H LYS A 14 -5.640 2.027 7.884 1.00 1.00 H new ATOM 0 HA LYS A 14 -4.141 4.545 8.199 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -6.112 5.872 7.590 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -5.391 5.037 6.228 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -7.116 3.177 6.565 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -7.892 4.194 7.762 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -7.849 6.021 5.831 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -7.649 4.636 4.777 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -10.019 5.020 4.911 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -9.711 3.603 5.894 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -11.144 5.502 6.837 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -9.986 4.777 7.846 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -9.664 6.282 7.129 1.00 1.00 H new ATOM 246 N CYS A 15 -5.107 4.749 10.422 1.00 1.00 N ATOM 247 CA CYS A 15 -5.557 4.775 11.804 1.00 1.00 C ATOM 248 C CYS A 15 -6.810 5.649 11.884 1.00 1.00 C ATOM 249 O CYS A 15 -6.757 6.845 11.600 1.00 1.00 O ATOM 250 CB CYS A 15 -4.457 5.266 12.748 1.00 1.00 C ATOM 251 SG CYS A 15 -5.097 5.359 14.459 1.00 1.00 S ATOM 0 H CYS A 15 -4.331 5.377 10.214 1.00 1.00 H new ATOM 0 HA CYS A 15 -5.799 3.763 12.130 1.00 1.00 H new ATOM 0 HB2 CYS A 15 -3.603 4.590 12.707 1.00 1.00 H new ATOM 0 HB3 CYS A 15 -4.104 6.247 12.429 1.00 1.00 H new ATOM 256 N PHE A 16 -7.909 5.019 12.273 1.00 1.00 N ATOM 257 CA PHE A 16 -9.173 5.724 12.394 1.00 1.00 C ATOM 258 C PHE A 16 -9.274 6.440 13.743 1.00 1.00 C ATOM 259 O PHE A 16 -10.337 6.943 14.104 1.00 1.00 O ATOM 260 CB PHE A 16 -10.282 4.674 12.304 1.00 1.00 C ATOM 261 CG PHE A 16 -11.572 5.185 11.661 1.00 1.00 C ATOM 262 CD1 PHE A 16 -11.519 5.901 10.505 1.00 1.00 C ATOM 263 CD2 PHE A 16 -12.773 4.924 12.244 1.00 1.00 C ATOM 264 CE1 PHE A 16 -12.717 6.375 9.908 1.00 1.00 C ATOM 265 CE2 PHE A 16 -13.971 5.398 11.647 1.00 1.00 C ATOM 266 CZ PHE A 16 -13.917 6.114 10.492 1.00 1.00 C ATOM 0 H PHE A 16 -7.950 4.027 12.508 1.00 1.00 H new ATOM 0 HA PHE A 16 -9.258 6.473 11.607 1.00 1.00 H new ATOM 0 HB2 PHE A 16 -9.916 3.822 11.732 1.00 1.00 H new ATOM 0 HB3 PHE A 16 -10.507 4.311 13.307 1.00 1.00 H new ATOM 0 HD1 PHE A 16 -10.566 6.109 10.042 1.00 1.00 H new ATOM 0 HD2 PHE A 16 -12.815 4.356 13.162 1.00 1.00 H new ATOM 0 HE1 PHE A 16 -12.675 6.943 8.990 1.00 1.00 H new ATOM 0 HE2 PHE A 16 -14.924 5.190 12.110 1.00 1.00 H new ATOM 0 HZ PHE A 16 -14.828 6.476 10.038 1.00 1.00 H new ATOM 276 N ASN A 17 -8.154 6.463 14.450 1.00 1.00 N ATOM 277 CA ASN A 17 -8.103 7.109 15.750 1.00 1.00 C ATOM 278 C ASN A 17 -7.483 8.500 15.600 1.00 1.00 C ATOM 279 O ASN A 17 -8.046 9.488 16.068 1.00 1.00 O ATOM 280 CB ASN A 17 -7.240 6.310 16.729 1.00 1.00 C ATOM 281 CG ASN A 17 -7.563 6.684 18.177 1.00 1.00 C ATOM 282 OD1 ASN A 17 -8.229 7.667 18.457 1.00 1.00 O ATOM 283 ND2 ASN A 17 -7.055 5.848 19.078 1.00 1.00 N ATOM 0 H ASN A 17 -7.275 6.044 14.147 1.00 1.00 H new ATOM 0 HA ASN A 17 -9.121 7.172 16.135 1.00 1.00 H new ATOM 0 HB2 ASN A 17 -7.407 5.243 16.579 1.00 1.00 H new ATOM 0 HB3 ASN A 17 -6.186 6.499 16.528 1.00 1.00 H new ATOM 0 HD21 ASN A 17 -7.214 6.011 20.072 1.00 1.00 H new ATOM 0 HD22 ASN A 17 -6.506 5.043 18.775 1.00 1.00 H new ATOM 290 N CYS A 18 -6.332 8.532 14.945 1.00 1.00 N ATOM 291 CA CYS A 18 -5.630 9.786 14.728 1.00 1.00 C ATOM 292 C CYS A 18 -5.962 10.284 13.320 1.00 1.00 C ATOM 293 O CYS A 18 -6.135 11.483 13.107 1.00 1.00 O ATOM 294 CB CYS A 18 -4.122 9.633 14.938 1.00 1.00 C ATOM 295 SG CYS A 18 -3.522 8.122 14.097 1.00 1.00 S ATOM 0 H CYS A 18 -5.868 7.710 14.558 1.00 1.00 H new ATOM 0 HA CYS A 18 -5.960 10.523 15.461 1.00 1.00 H new ATOM 0 HB2 CYS A 18 -3.602 10.507 14.547 1.00 1.00 H new ATOM 0 HB3 CYS A 18 -3.899 9.579 16.004 1.00 1.00 H new ATOM 300 N GLY A 19 -6.042 9.339 12.395 1.00 1.00 N ATOM 301 CA GLY A 19 -6.350 9.667 11.014 1.00 1.00 C ATOM 302 C GLY A 19 -5.101 9.573 10.136 1.00 1.00 C ATOM 303 O GLY A 19 -5.143 9.907 8.953 1.00 1.00 O ATOM 0 H GLY A 19 -5.899 8.345 12.575 1.00 1.00 H new ATOM 0 HA2 GLY A 19 -7.115 8.988 10.637 1.00 1.00 H new ATOM 0 HA3 GLY A 19 -6.762 10.675 10.959 1.00 1.00 H new ATOM 307 N LYS A 20 -4.019 9.117 10.749 1.00 1.00 N ATOM 308 CA LYS A 20 -2.760 8.974 10.038 1.00 1.00 C ATOM 309 C LYS A 20 -2.791 7.690 9.206 1.00 1.00 C ATOM 310 O LYS A 20 -3.626 6.817 9.437 1.00 1.00 O ATOM 311 CB LYS A 20 -1.582 9.048 11.012 1.00 1.00 C ATOM 312 CG LYS A 20 -1.350 10.484 11.484 1.00 1.00 C ATOM 313 CD LYS A 20 0.104 10.692 11.913 1.00 1.00 C ATOM 314 CE LYS A 20 0.355 12.147 12.315 1.00 1.00 C ATOM 315 NZ LYS A 20 1.800 12.384 12.526 1.00 1.00 N ATOM 0 H LYS A 20 -3.988 8.842 11.731 1.00 1.00 H new ATOM 0 HA LYS A 20 -2.620 9.801 9.342 1.00 1.00 H new ATOM 0 HB2 LYS A 20 -1.775 8.406 11.871 1.00 1.00 H new ATOM 0 HB3 LYS A 20 -0.681 8.671 10.528 1.00 1.00 H new ATOM 0 HG2 LYS A 20 -1.599 11.179 10.682 1.00 1.00 H new ATOM 0 HG3 LYS A 20 -2.015 10.708 12.318 1.00 1.00 H new ATOM 0 HD2 LYS A 20 0.337 10.034 12.750 1.00 1.00 H new ATOM 0 HD3 LYS A 20 0.771 10.417 11.096 1.00 1.00 H new ATOM 0 HE2 LYS A 20 -0.020 12.815 11.539 1.00 1.00 H new ATOM 0 HE3 LYS A 20 -0.195 12.378 13.227 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 1.953 13.376 12.798 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 2.147 11.760 13.282 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 2.317 12.183 11.646 1.00 1.00 H new ATOM 328 N GLU A 21 -1.871 7.616 8.256 1.00 1.00 N ATOM 329 CA GLU A 21 -1.782 6.454 7.389 1.00 1.00 C ATOM 330 C GLU A 21 -0.541 5.628 7.733 1.00 1.00 C ATOM 331 O GLU A 21 0.547 6.177 7.900 1.00 1.00 O ATOM 332 CB GLU A 21 -1.775 6.867 5.916 1.00 1.00 C ATOM 333 CG GLU A 21 -0.366 7.255 5.463 1.00 1.00 C ATOM 334 CD GLU A 21 -0.376 7.775 4.024 1.00 1.00 C ATOM 335 OE1 GLU A 21 0.057 8.909 3.771 1.00 1.00 O ATOM 336 OE2 GLU A 21 -0.855 6.955 3.151 1.00 1.00 O ATOM 0 H GLU A 21 -1.180 8.342 8.068 1.00 1.00 H new ATOM 0 HA GLU A 21 -2.664 5.835 7.554 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -2.145 6.046 5.302 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -2.453 7.707 5.767 1.00 1.00 H new ATOM 0 HG2 GLU A 21 0.035 8.020 6.127 1.00 1.00 H new ATOM 0 HG3 GLU A 21 0.294 6.391 5.537 1.00 1.00 H new ATOM 344 N GLY A 22 -0.746 4.323 7.830 1.00 1.00 N ATOM 345 CA GLY A 22 0.343 3.416 8.151 1.00 1.00 C ATOM 346 C GLY A 22 -0.072 2.424 9.239 1.00 1.00 C ATOM 347 O GLY A 22 0.226 1.234 9.146 1.00 1.00 O ATOM 0 H GLY A 22 -1.650 3.872 7.692 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.645 2.873 7.255 1.00 1.00 H new ATOM 0 HA3 GLY A 22 1.210 3.986 8.485 1.00 1.00 H new ATOM 351 N HIS A 23 -0.752 2.951 10.247 1.00 1.00 N ATOM 352 CA HIS A 23 -1.211 2.127 11.352 1.00 1.00 C ATOM 353 C HIS A 23 -2.739 2.171 11.425 1.00 1.00 C ATOM 354 O HIS A 23 -3.374 2.977 10.747 1.00 1.00 O ATOM 355 CB HIS A 23 -0.543 2.552 12.661 1.00 1.00 C ATOM 356 CG HIS A 23 -1.077 3.844 13.231 1.00 1.00 C ATOM 357 ND1 HIS A 23 -0.719 5.086 12.736 1.00 1.00 N ATOM 358 CD2 HIS A 23 -1.944 4.074 14.258 1.00 1.00 C ATOM 359 CE1 HIS A 23 -1.349 6.015 13.442 1.00 1.00 C ATOM 360 NE2 HIS A 23 -2.107 5.385 14.385 1.00 1.00 N ATOM 0 H HIS A 23 -0.996 3.939 10.321 1.00 1.00 H new ATOM 0 HA HIS A 23 -0.919 1.090 11.183 1.00 1.00 H new ATOM 0 HB2 HIS A 23 -0.674 1.760 13.398 1.00 1.00 H new ATOM 0 HB3 HIS A 23 0.529 2.656 12.493 1.00 1.00 H new ATOM 0 HD1 HIS A 23 -0.079 5.257 11.960 1.00 1.00 H new ATOM 0 HD2 HIS A 23 -2.418 3.317 14.865 1.00 1.00 H new ATOM 0 HE1 HIS A 23 -1.275 7.083 13.296 1.00 1.00 H new ATOM 368 N ILE A 24 -3.285 1.293 12.253 1.00 1.00 N ATOM 369 CA ILE A 24 -4.727 1.221 12.423 1.00 1.00 C ATOM 370 C ILE A 24 -5.097 1.732 13.817 1.00 1.00 C ATOM 371 O ILE A 24 -4.225 1.931 14.661 1.00 1.00 O ATOM 372 CB ILE A 24 -5.231 -0.194 12.133 1.00 1.00 C ATOM 373 CG1 ILE A 24 -4.330 -1.242 12.790 1.00 1.00 C ATOM 374 CG2 ILE A 24 -5.377 -0.426 10.628 1.00 1.00 C ATOM 375 CD1 ILE A 24 -5.017 -2.609 12.829 1.00 1.00 C ATOM 0 H ILE A 24 -2.755 0.625 12.814 1.00 1.00 H new ATOM 0 HA ILE A 24 -5.229 1.867 11.702 1.00 1.00 H new ATOM 0 HB ILE A 24 -6.223 -0.301 12.573 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -3.393 -1.318 12.239 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -4.080 -0.928 13.803 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -5.737 -1.439 10.449 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -6.089 0.290 10.217 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -4.409 -0.294 10.144 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -4.355 -3.335 13.301 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -5.942 -2.535 13.401 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -5.244 -2.931 11.813 1.00 1.00 H new ATOM 387 N ALA A 25 -6.392 1.929 14.015 1.00 1.00 N ATOM 388 CA ALA A 25 -6.889 2.413 15.292 1.00 1.00 C ATOM 389 C ALA A 25 -6.525 1.411 16.389 1.00 1.00 C ATOM 390 O ALA A 25 -6.101 1.801 17.476 1.00 1.00 O ATOM 391 CB ALA A 25 -8.397 2.650 15.197 1.00 1.00 C ATOM 0 H ALA A 25 -7.112 1.762 13.312 1.00 1.00 H new ATOM 0 HA ALA A 25 -6.425 3.365 15.548 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -8.769 3.013 16.155 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -8.601 3.391 14.424 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -8.897 1.715 14.944 1.00 1.00 H new ATOM 397 N LYS A 26 -6.703 0.138 16.066 1.00 1.00 N ATOM 398 CA LYS A 26 -6.398 -0.923 17.011 1.00 1.00 C ATOM 399 C LYS A 26 -4.904 -0.897 17.336 1.00 1.00 C ATOM 400 O LYS A 26 -4.474 -1.459 18.342 1.00 1.00 O ATOM 401 CB LYS A 26 -6.888 -2.271 16.478 1.00 1.00 C ATOM 402 CG LYS A 26 -6.716 -3.371 17.528 1.00 1.00 C ATOM 403 CD LYS A 26 -5.537 -4.282 17.180 1.00 1.00 C ATOM 404 CE LYS A 26 -6.021 -5.583 16.538 1.00 1.00 C ATOM 405 NZ LYS A 26 -5.202 -6.726 17.002 1.00 1.00 N ATOM 0 H LYS A 26 -7.054 -0.182 15.164 1.00 1.00 H new ATOM 0 HA LYS A 26 -6.931 -0.763 17.948 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -7.938 -2.194 16.195 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -6.333 -2.533 15.577 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -6.556 -2.921 18.508 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -7.630 -3.962 17.594 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -4.862 -3.765 16.498 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -4.968 -4.507 18.082 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -7.068 -5.752 16.790 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -5.963 -5.503 15.452 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -5.476 -7.584 16.481 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -4.196 -6.524 16.831 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -5.358 -6.874 18.020 1.00 1.00 H new ATOM 418 N ASN A 27 -4.153 -0.238 16.466 1.00 1.00 N ATOM 419 CA ASN A 27 -2.715 -0.132 16.648 1.00 1.00 C ATOM 420 C ASN A 27 -2.335 1.341 16.815 1.00 1.00 C ATOM 421 O ASN A 27 -1.253 1.757 16.401 1.00 1.00 O ATOM 422 CB ASN A 27 -1.964 -0.679 15.433 1.00 1.00 C ATOM 423 CG ASN A 27 -0.589 -1.218 15.835 1.00 1.00 C ATOM 424 OD1 ASN A 27 -0.313 -2.404 15.763 1.00 1.00 O ATOM 425 ND2 ASN A 27 0.254 -0.282 16.262 1.00 1.00 N ATOM 0 H ASN A 27 -4.513 0.228 15.633 1.00 1.00 H new ATOM 0 HA ASN A 27 -2.443 -0.711 17.530 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -2.548 -1.473 14.967 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -1.846 0.109 14.689 1.00 1.00 H new ATOM 0 HD21 ASN A 27 1.197 -0.540 16.554 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -0.042 0.693 16.297 1.00 1.00 H new ATOM 432 N CYS A 28 -3.244 2.089 17.421 1.00 1.00 N ATOM 433 CA CYS A 28 -3.018 3.506 17.648 1.00 1.00 C ATOM 434 C CYS A 28 -2.206 3.663 18.935 1.00 1.00 C ATOM 435 O CYS A 28 -2.663 3.283 20.012 1.00 1.00 O ATOM 436 CB CYS A 28 -4.332 4.288 17.704 1.00 1.00 C ATOM 437 SG CYS A 28 -3.989 6.079 17.854 1.00 1.00 S ATOM 0 H CYS A 28 -4.140 1.740 17.762 1.00 1.00 H new ATOM 0 HA CYS A 28 -2.458 3.925 16.812 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -4.918 4.096 16.805 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -4.929 3.952 18.552 1.00 1.00 H new ATOM 442 N ARG A 29 -1.015 4.224 18.781 1.00 1.00 N ATOM 443 CA ARG A 29 -0.135 4.436 19.918 1.00 1.00 C ATOM 444 C ARG A 29 -0.129 5.913 20.317 1.00 1.00 C ATOM 445 O ARG A 29 0.487 6.288 21.313 1.00 1.00 O ATOM 446 CB ARG A 29 1.295 3.995 19.597 1.00 1.00 C ATOM 447 CG ARG A 29 1.555 2.573 20.097 1.00 1.00 C ATOM 448 CD ARG A 29 2.268 2.589 21.451 1.00 1.00 C ATOM 449 NE ARG A 29 2.918 1.283 21.697 1.00 1.00 N ATOM 450 CZ ARG A 29 3.229 0.811 22.923 1.00 1.00 C ATOM 451 NH1 ARG A 29 2.951 1.536 24.027 1.00 1.00 N ATOM 452 NH2 ARG A 29 3.808 -0.371 23.026 1.00 1.00 N ATOM 0 H ARG A 29 -0.639 4.538 17.886 1.00 1.00 H new ATOM 0 HA ARG A 29 -0.512 3.835 20.746 1.00 1.00 H new ATOM 0 HB2 ARG A 29 1.461 4.042 18.521 1.00 1.00 H new ATOM 0 HB3 ARG A 29 2.004 4.682 20.059 1.00 1.00 H new ATOM 0 HG2 ARG A 29 0.610 2.037 20.186 1.00 1.00 H new ATOM 0 HG3 ARG A 29 2.161 2.033 19.369 1.00 1.00 H new ATOM 0 HD2 ARG A 29 3.013 3.384 21.469 1.00 1.00 H new ATOM 0 HD3 ARG A 29 1.553 2.804 22.245 1.00 1.00 H new ATOM 0 HE ARG A 29 3.145 0.703 20.890 1.00 1.00 H new ATOM 0 HH11 ARG A 29 2.503 2.448 23.939 1.00 1.00 H new ATOM 0 HH12 ARG A 29 3.189 1.172 24.950 1.00 1.00 H new ATOM 0 HH21 ARG A 29 4.014 -0.913 22.187 1.00 1.00 H new ATOM 0 HH22 ARG A 29 4.050 -0.742 23.945 1.00 1.00 H new ATOM 465 N ALA A 30 -0.822 6.711 19.518 1.00 1.00 N ATOM 466 CA ALA A 30 -0.904 8.139 19.775 1.00 1.00 C ATOM 467 C ALA A 30 0.477 8.660 20.178 1.00 1.00 C ATOM 468 O ALA A 30 0.800 8.719 21.364 1.00 1.00 O ATOM 469 CB ALA A 30 -1.964 8.405 20.846 1.00 1.00 C ATOM 0 H ALA A 30 -1.332 6.396 18.693 1.00 1.00 H new ATOM 0 HA ALA A 30 -1.208 8.674 18.876 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -2.026 9.476 21.039 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -2.931 8.043 20.498 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -1.691 7.886 21.765 1.00 1.00 H new ATOM 475 N PRO A 31 1.275 9.036 19.143 1.00 1.00 N ATOM 476 CA PRO A 31 2.613 9.550 19.378 1.00 1.00 C ATOM 477 C PRO A 31 2.563 10.986 19.905 1.00 1.00 C ATOM 478 O PRO A 31 1.780 11.802 19.422 1.00 1.00 O ATOM 479 CB PRO A 31 3.320 9.434 18.037 1.00 1.00 C ATOM 480 CG PRO A 31 2.220 9.296 16.997 1.00 1.00 C ATOM 481 CD PRO A 31 0.925 8.980 17.726 1.00 1.00 C ATOM 0 HA PRO A 31 3.150 8.992 20.146 1.00 1.00 H new ATOM 0 HB2 PRO A 31 3.934 10.313 17.842 1.00 1.00 H new ATOM 0 HB3 PRO A 31 3.985 8.570 18.019 1.00 1.00 H new ATOM 0 HG2 PRO A 31 2.120 10.217 16.423 1.00 1.00 H new ATOM 0 HG3 PRO A 31 2.462 8.504 16.288 1.00 1.00 H new ATOM 0 HD2 PRO A 31 0.146 9.702 17.481 1.00 1.00 H new ATOM 0 HD3 PRO A 31 0.545 7.996 17.450 1.00 1.00 H new ATOM 489 N ARG A 32 3.411 11.250 20.889 1.00 1.00 N ATOM 490 CA ARG A 32 3.473 12.573 21.487 1.00 1.00 C ATOM 491 C ARG A 32 4.652 12.660 22.459 1.00 1.00 C ATOM 492 O ARG A 32 4.458 12.777 23.668 1.00 1.00 O ATOM 493 CB ARG A 32 2.180 12.901 22.236 1.00 1.00 C ATOM 494 CG ARG A 32 1.766 11.746 23.149 1.00 1.00 C ATOM 495 CD ARG A 32 0.334 11.931 23.654 1.00 1.00 C ATOM 496 NE ARG A 32 0.309 12.921 24.754 1.00 1.00 N ATOM 497 CZ ARG A 32 -0.632 12.954 25.721 1.00 1.00 C ATOM 498 NH1 ARG A 32 -1.635 12.051 25.732 1.00 1.00 N ATOM 499 NH2 ARG A 32 -0.557 13.883 26.656 1.00 1.00 N ATOM 0 H ARG A 32 4.060 10.571 21.287 1.00 1.00 H new ATOM 0 HA ARG A 32 3.606 13.295 20.681 1.00 1.00 H new ATOM 0 HB2 ARG A 32 2.318 13.806 22.828 1.00 1.00 H new ATOM 0 HB3 ARG A 32 1.384 13.107 21.521 1.00 1.00 H new ATOM 0 HG2 ARG A 32 1.845 10.803 22.607 1.00 1.00 H new ATOM 0 HG3 ARG A 32 2.449 11.685 23.996 1.00 1.00 H new ATOM 0 HD2 ARG A 32 -0.308 12.265 22.839 1.00 1.00 H new ATOM 0 HD3 ARG A 32 -0.063 10.978 24.003 1.00 1.00 H new ATOM 0 HE ARG A 32 1.049 13.622 24.783 1.00 1.00 H new ATOM 0 HH11 ARG A 32 -1.686 11.336 25.006 1.00 1.00 H new ATOM 0 HH12 ARG A 32 -2.342 12.083 26.466 1.00 1.00 H new ATOM 0 HH21 ARG A 32 0.204 14.562 26.640 1.00 1.00 H new ATOM 0 HH22 ARG A 32 -1.260 13.922 27.394 1.00 1.00 H new ATOM 512 N LYS A 33 5.849 12.601 21.894 1.00 1.00 N ATOM 513 CA LYS A 33 7.059 12.672 22.695 1.00 1.00 C ATOM 514 C LYS A 33 7.295 11.322 23.376 1.00 1.00 C ATOM 515 O LYS A 33 6.443 10.437 23.319 1.00 1.00 O ATOM 516 CB LYS A 33 6.988 13.849 23.669 1.00 1.00 C ATOM 517 CG LYS A 33 8.316 14.609 23.708 1.00 1.00 C ATOM 518 CD LYS A 33 8.463 15.518 22.486 1.00 1.00 C ATOM 519 CE LYS A 33 8.268 16.986 22.868 1.00 1.00 C ATOM 520 NZ LYS A 33 7.460 17.685 21.844 1.00 1.00 N ATOM 0 H LYS A 33 6.007 12.505 20.891 1.00 1.00 H new ATOM 0 HA LYS A 33 7.925 12.865 22.062 1.00 1.00 H new ATOM 0 HB2 LYS A 33 6.187 14.525 23.371 1.00 1.00 H new ATOM 0 HB3 LYS A 33 6.743 13.486 24.667 1.00 1.00 H new ATOM 0 HG2 LYS A 33 8.371 15.206 24.618 1.00 1.00 H new ATOM 0 HG3 LYS A 33 9.144 13.901 23.741 1.00 1.00 H new ATOM 0 HD2 LYS A 33 9.450 15.382 22.044 1.00 1.00 H new ATOM 0 HD3 LYS A 33 7.732 15.236 21.728 1.00 1.00 H new ATOM 0 HE2 LYS A 33 7.774 17.053 23.837 1.00 1.00 H new ATOM 0 HE3 LYS A 33 9.238 17.473 22.970 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 7.337 18.680 22.119 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 7.946 17.637 20.926 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 6.528 17.230 21.767 1.00 1.00 H new ATOM 533 N LYS A 34 8.455 11.208 24.006 1.00 1.00 N ATOM 534 CA LYS A 34 8.813 9.981 24.698 1.00 1.00 C ATOM 535 C LYS A 34 9.170 8.906 23.670 1.00 1.00 C ATOM 536 O LYS A 34 8.553 7.843 23.639 1.00 1.00 O ATOM 537 CB LYS A 34 7.700 9.565 25.662 1.00 1.00 C ATOM 538 CG LYS A 34 8.221 9.479 27.097 1.00 1.00 C ATOM 539 CD LYS A 34 7.146 9.909 28.098 1.00 1.00 C ATOM 540 CE LYS A 34 7.226 11.411 28.376 1.00 1.00 C ATOM 541 NZ LYS A 34 6.362 12.159 27.434 1.00 1.00 N ATOM 0 H LYS A 34 9.159 11.945 24.052 1.00 1.00 H new ATOM 0 HA LYS A 34 9.697 10.137 25.317 1.00 1.00 H new ATOM 0 HB2 LYS A 34 6.882 10.284 25.611 1.00 1.00 H new ATOM 0 HB3 LYS A 34 7.295 8.599 25.360 1.00 1.00 H new ATOM 0 HG2 LYS A 34 8.536 8.458 27.313 1.00 1.00 H new ATOM 0 HG3 LYS A 34 9.100 10.114 27.207 1.00 1.00 H new ATOM 0 HD2 LYS A 34 6.159 9.660 27.707 1.00 1.00 H new ATOM 0 HD3 LYS A 34 7.269 9.356 29.029 1.00 1.00 H new ATOM 0 HE2 LYS A 34 6.917 11.614 29.401 1.00 1.00 H new ATOM 0 HE3 LYS A 34 8.257 11.750 28.280 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 6.058 13.051 27.875 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 6.894 12.366 26.565 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 5.526 11.586 27.200 1.00 1.00 H new ATOM 554 N GLY A 35 10.165 9.221 22.853 1.00 1.00 N ATOM 555 CA GLY A 35 10.611 8.295 21.826 1.00 1.00 C ATOM 556 C GLY A 35 11.872 7.551 22.270 1.00 1.00 C ATOM 557 O GLY A 35 12.832 8.167 22.731 1.00 1.00 O ATOM 0 H GLY A 35 10.674 10.104 22.882 1.00 1.00 H new ATOM 0 HA2 GLY A 35 9.819 7.578 21.608 1.00 1.00 H new ATOM 0 HA3 GLY A 35 10.811 8.839 20.903 1.00 1.00 H new ATOM 561 N CYS A 36 11.830 6.235 22.116 1.00 1.00 N ATOM 562 CA CYS A 36 12.957 5.400 22.495 1.00 1.00 C ATOM 563 C CYS A 36 14.136 5.742 21.582 1.00 1.00 C ATOM 564 O CYS A 36 14.078 5.513 20.375 1.00 1.00 O ATOM 565 CB CYS A 36 12.603 3.913 22.438 1.00 1.00 C ATOM 566 SG CYS A 36 13.947 2.921 23.187 1.00 1.00 S ATOM 0 H CYS A 36 11.033 5.727 21.734 1.00 1.00 H new ATOM 0 HA CYS A 36 13.231 5.601 23.531 1.00 1.00 H new ATOM 0 HB2 CYS A 36 11.668 3.733 22.968 1.00 1.00 H new ATOM 0 HB3 CYS A 36 12.447 3.607 21.403 1.00 1.00 H new ATOM 571 N TRP A 37 15.179 6.285 22.193 1.00 1.00 N ATOM 572 CA TRP A 37 16.370 6.660 21.451 1.00 1.00 C ATOM 573 C TRP A 37 17.328 5.467 21.458 1.00 1.00 C ATOM 574 O TRP A 37 18.504 5.609 21.130 1.00 1.00 O ATOM 575 CB TRP A 37 16.996 7.933 22.025 1.00 1.00 C ATOM 576 CG TRP A 37 17.434 8.944 20.964 1.00 1.00 C ATOM 577 CD1 TRP A 37 18.603 9.593 20.877 1.00 1.00 C ATOM 578 CD2 TRP A 37 16.657 9.398 19.836 1.00 1.00 C ATOM 579 NE1 TRP A 37 18.637 10.430 19.779 1.00 1.00 N ATOM 580 CE2 TRP A 37 17.416 10.307 19.127 1.00 1.00 C ATOM 581 CE3 TRP A 37 15.357 9.053 19.429 1.00 1.00 C ATOM 582 CZ2 TRP A 37 16.960 10.946 17.967 1.00 1.00 C ATOM 583 CZ3 TRP A 37 14.916 9.700 18.268 1.00 1.00 C ATOM 584 CH2 TRP A 37 15.667 10.617 17.542 1.00 1.00 C ATOM 0 H TRP A 37 15.223 6.474 23.194 1.00 1.00 H new ATOM 0 HA TRP A 37 16.120 6.899 20.417 1.00 1.00 H new ATOM 0 HB2 TRP A 37 16.278 8.410 22.692 1.00 1.00 H new ATOM 0 HB3 TRP A 37 17.860 7.660 22.630 1.00 1.00 H new ATOM 0 HD1 TRP A 37 19.417 9.476 21.578 1.00 1.00 H new ATOM 0 HE1 TRP A 37 19.414 11.028 19.499 1.00 1.00 H new ATOM 0 HE3 TRP A 37 14.746 8.345 19.969 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 17.573 11.654 17.429 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 13.923 9.470 17.912 1.00 1.00 H new ATOM 0 HH2 TRP A 37 15.255 11.074 16.654 1.00 1.00 H new ATOM 595 N LYS A 38 16.787 4.318 21.836 1.00 1.00 N ATOM 596 CA LYS A 38 17.579 3.101 21.891 1.00 1.00 C ATOM 597 C LYS A 38 17.218 2.208 20.702 1.00 1.00 C ATOM 598 O LYS A 38 18.098 1.648 20.051 1.00 1.00 O ATOM 599 CB LYS A 38 17.413 2.414 23.248 1.00 1.00 C ATOM 600 CG LYS A 38 18.572 1.454 23.522 1.00 1.00 C ATOM 601 CD LYS A 38 19.310 1.837 24.806 1.00 1.00 C ATOM 602 CE LYS A 38 20.431 2.837 24.517 1.00 1.00 C ATOM 603 NZ LYS A 38 19.924 4.225 24.611 1.00 1.00 N ATOM 0 H LYS A 38 15.810 4.204 22.107 1.00 1.00 H new ATOM 0 HA LYS A 38 18.640 3.334 21.805 1.00 1.00 H new ATOM 0 HB2 LYS A 38 17.364 3.165 24.036 1.00 1.00 H new ATOM 0 HB3 LYS A 38 16.470 1.867 23.270 1.00 1.00 H new ATOM 0 HG2 LYS A 38 18.193 0.436 23.606 1.00 1.00 H new ATOM 0 HG3 LYS A 38 19.266 1.467 22.682 1.00 1.00 H new ATOM 0 HD2 LYS A 38 18.607 2.269 25.518 1.00 1.00 H new ATOM 0 HD3 LYS A 38 19.726 0.943 25.271 1.00 1.00 H new ATOM 0 HE2 LYS A 38 21.247 2.693 25.225 1.00 1.00 H new ATOM 0 HE3 LYS A 38 20.838 2.659 23.522 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 20.697 4.891 24.412 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 19.161 4.364 23.918 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 19.557 4.396 25.569 1.00 1.00 H new ATOM 616 N CYS A 39 15.920 2.105 20.454 1.00 1.00 N ATOM 617 CA CYS A 39 15.432 1.290 19.354 1.00 1.00 C ATOM 618 C CYS A 39 14.919 2.224 18.256 1.00 1.00 C ATOM 619 O CYS A 39 14.861 1.841 17.088 1.00 1.00 O ATOM 620 CB CYS A 39 14.355 0.305 19.815 1.00 1.00 C ATOM 621 SG CYS A 39 13.002 1.205 20.657 1.00 1.00 S ATOM 0 H CYS A 39 15.192 2.572 20.995 1.00 1.00 H new ATOM 0 HA CYS A 39 16.245 0.680 18.960 1.00 1.00 H new ATOM 0 HB2 CYS A 39 13.961 -0.242 18.959 1.00 1.00 H new ATOM 0 HB3 CYS A 39 14.789 -0.431 20.492 1.00 1.00 H new ATOM 626 N GLY A 40 14.559 3.430 18.669 1.00 1.00 N ATOM 627 CA GLY A 40 14.053 4.421 17.735 1.00 1.00 C ATOM 628 C GLY A 40 12.538 4.292 17.565 1.00 1.00 C ATOM 629 O GLY A 40 11.974 4.792 16.594 1.00 1.00 O ATOM 0 H GLY A 40 14.608 3.743 19.638 1.00 1.00 H new ATOM 0 HA2 GLY A 40 14.298 5.421 18.092 1.00 1.00 H new ATOM 0 HA3 GLY A 40 14.543 4.299 16.769 1.00 1.00 H new ATOM 633 N LYS A 41 11.923 3.618 18.526 1.00 1.00 N ATOM 634 CA LYS A 41 10.484 3.417 18.496 1.00 1.00 C ATOM 635 C LYS A 41 9.796 4.578 19.217 1.00 1.00 C ATOM 636 O LYS A 41 9.927 4.724 20.431 1.00 1.00 O ATOM 637 CB LYS A 41 10.124 2.042 19.061 1.00 1.00 C ATOM 638 CG LYS A 41 8.966 1.415 18.282 1.00 1.00 C ATOM 639 CD LYS A 41 8.561 0.070 18.888 1.00 1.00 C ATOM 640 CE LYS A 41 9.183 -1.091 18.110 1.00 1.00 C ATOM 641 NZ LYS A 41 8.230 -2.220 18.014 1.00 1.00 N ATOM 0 H LYS A 41 12.395 3.204 19.330 1.00 1.00 H new ATOM 0 HA LYS A 41 10.120 3.419 17.469 1.00 1.00 H new ATOM 0 HB2 LYS A 41 10.994 1.387 19.016 1.00 1.00 H new ATOM 0 HB3 LYS A 41 9.851 2.137 20.112 1.00 1.00 H new ATOM 0 HG2 LYS A 41 8.112 2.092 18.287 1.00 1.00 H new ATOM 0 HG3 LYS A 41 9.257 1.276 17.241 1.00 1.00 H new ATOM 0 HD2 LYS A 41 8.879 0.026 19.930 1.00 1.00 H new ATOM 0 HD3 LYS A 41 7.475 -0.024 18.882 1.00 1.00 H new ATOM 0 HE2 LYS A 41 9.463 -0.758 17.111 1.00 1.00 H new ATOM 0 HE3 LYS A 41 10.097 -1.420 18.605 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 8.668 -3.000 17.483 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 7.983 -2.548 18.970 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 7.369 -1.907 17.522 1.00 1.00 H new ATOM 654 N GLU A 42 9.077 5.373 18.438 1.00 1.00 N ATOM 655 CA GLU A 42 8.368 6.516 18.987 1.00 1.00 C ATOM 656 C GLU A 42 7.127 6.053 19.754 1.00 1.00 C ATOM 657 O GLU A 42 6.088 5.783 19.154 1.00 1.00 O ATOM 658 CB GLU A 42 7.993 7.510 17.886 1.00 1.00 C ATOM 659 CG GLU A 42 7.167 6.829 16.792 1.00 1.00 C ATOM 660 CD GLU A 42 7.917 6.828 15.459 1.00 1.00 C ATOM 661 OE1 GLU A 42 8.140 5.758 14.874 1.00 1.00 O ATOM 662 OE2 GLU A 42 8.272 7.992 15.032 1.00 1.00 O ATOM 0 H GLU A 42 8.970 5.248 17.431 1.00 1.00 H new ATOM 0 HA GLU A 42 9.031 7.029 19.683 1.00 1.00 H new ATOM 0 HB2 GLU A 42 7.425 8.336 18.314 1.00 1.00 H new ATOM 0 HB3 GLU A 42 8.898 7.936 17.452 1.00 1.00 H new ATOM 0 HG2 GLU A 42 6.941 5.804 17.087 1.00 1.00 H new ATOM 0 HG3 GLU A 42 6.214 7.345 16.677 1.00 1.00 H new ATOM 670 N GLY A 43 7.278 5.976 21.068 1.00 1.00 N ATOM 671 CA GLY A 43 6.182 5.550 21.922 1.00 1.00 C ATOM 672 C GLY A 43 6.681 5.227 23.333 1.00 1.00 C ATOM 673 O GLY A 43 6.263 5.859 24.302 1.00 1.00 O ATOM 0 H GLY A 43 8.142 6.201 21.562 1.00 1.00 H new ATOM 0 HA2 GLY A 43 5.427 6.335 21.970 1.00 1.00 H new ATOM 0 HA3 GLY A 43 5.701 4.671 21.492 1.00 1.00 H new ATOM 677 N HIS A 44 7.566 4.244 23.402 1.00 1.00 N ATOM 678 CA HIS A 44 8.126 3.830 24.678 1.00 1.00 C ATOM 679 C HIS A 44 9.483 4.505 24.886 1.00 1.00 C ATOM 680 O HIS A 44 10.102 4.971 23.930 1.00 1.00 O ATOM 681 CB HIS A 44 8.201 2.305 24.769 1.00 1.00 C ATOM 682 CG HIS A 44 9.333 1.698 23.974 1.00 1.00 C ATOM 683 ND1 HIS A 44 9.131 0.753 22.983 1.00 1.00 N ATOM 684 CD2 HIS A 44 10.679 1.911 24.034 1.00 1.00 C ATOM 685 CE1 HIS A 44 10.309 0.419 22.477 1.00 1.00 C ATOM 686 NE2 HIS A 44 11.267 1.138 23.130 1.00 1.00 N ATOM 0 H HIS A 44 7.909 3.722 22.596 1.00 1.00 H new ATOM 0 HA HIS A 44 7.472 4.152 25.488 1.00 1.00 H new ATOM 0 HB2 HIS A 44 8.310 2.018 25.815 1.00 1.00 H new ATOM 0 HB3 HIS A 44 7.258 1.883 24.420 1.00 1.00 H new ATOM 0 HD1 HIS A 44 8.228 0.378 22.692 1.00 1.00 H new ATOM 0 HD2 HIS A 44 11.181 2.593 24.704 1.00 1.00 H new ATOM 0 HE1 HIS A 44 10.481 -0.297 21.687 1.00 1.00 H new ATOM 694 N GLN A 45 9.907 4.535 26.141 1.00 1.00 N ATOM 695 CA GLN A 45 11.180 5.144 26.486 1.00 1.00 C ATOM 696 C GLN A 45 12.213 4.065 26.818 1.00 1.00 C ATOM 697 O GLN A 45 11.909 2.874 26.769 1.00 1.00 O ATOM 698 CB GLN A 45 11.020 6.126 27.649 1.00 1.00 C ATOM 699 CG GLN A 45 10.128 5.538 28.744 1.00 1.00 C ATOM 700 CD GLN A 45 10.119 6.434 29.984 1.00 1.00 C ATOM 701 OE1 GLN A 45 11.195 6.302 30.755 1.00 1.00 O flip ATOM 702 NE2 GLN A 45 9.196 7.195 30.225 1.00 1.00 N flip ATOM 0 H GLN A 45 9.391 4.147 26.931 1.00 1.00 H new ATOM 0 HA GLN A 45 11.537 5.707 25.624 1.00 1.00 H new ATOM 0 HB2 GLN A 45 11.999 6.367 28.063 1.00 1.00 H new ATOM 0 HB3 GLN A 45 10.589 7.059 27.285 1.00 1.00 H new ATOM 0 HG2 GLN A 45 9.112 5.422 28.367 1.00 1.00 H new ATOM 0 HG3 GLN A 45 10.483 4.543 29.012 1.00 1.00 H new ATOM 0 HE21 GLN A 45 8.399 7.247 29.590 1.00 1.00 H new ATOM 0 HE22 GLN A 45 9.221 7.779 31.061 1.00 1.00 H new ATOM 711 N MET A 46 13.413 4.520 27.147 1.00 1.00 N ATOM 712 CA MET A 46 14.492 3.608 27.486 1.00 1.00 C ATOM 713 C MET A 46 14.124 2.750 28.698 1.00 1.00 C ATOM 714 O MET A 46 14.435 1.560 28.737 1.00 1.00 O ATOM 715 CB MET A 46 15.759 4.409 27.793 1.00 1.00 C ATOM 716 CG MET A 46 17.013 3.573 27.530 1.00 1.00 C ATOM 717 SD MET A 46 17.338 2.505 28.923 1.00 1.00 S ATOM 718 CE MET A 46 17.456 0.932 28.086 1.00 1.00 C ATOM 0 H MET A 46 13.662 5.508 27.186 1.00 1.00 H new ATOM 0 HA MET A 46 14.666 2.948 26.636 1.00 1.00 H new ATOM 0 HB2 MET A 46 15.782 5.309 27.179 1.00 1.00 H new ATOM 0 HB3 MET A 46 15.745 4.733 28.834 1.00 1.00 H new ATOM 0 HG2 MET A 46 16.880 2.977 26.627 1.00 1.00 H new ATOM 0 HG3 MET A 46 17.867 4.228 27.356 1.00 1.00 H new ATOM 0 HE1 MET A 46 17.113 0.139 28.751 1.00 1.00 H new ATOM 0 HE2 MET A 46 16.835 0.949 27.190 1.00 1.00 H new ATOM 0 HE3 MET A 46 18.493 0.746 27.805 1.00 1.00 H new ATOM 728 N LYS A 47 13.466 3.386 29.656 1.00 1.00 N ATOM 729 CA LYS A 47 13.052 2.695 30.865 1.00 1.00 C ATOM 730 C LYS A 47 11.991 1.651 30.513 1.00 1.00 C ATOM 731 O LYS A 47 11.745 0.726 31.285 1.00 1.00 O ATOM 732 CB LYS A 47 12.599 3.699 31.927 1.00 1.00 C ATOM 733 CG LYS A 47 12.506 3.037 33.303 1.00 1.00 C ATOM 734 CD LYS A 47 11.573 3.821 34.227 1.00 1.00 C ATOM 735 CE LYS A 47 12.348 4.869 35.029 1.00 1.00 C ATOM 736 NZ LYS A 47 11.500 5.430 36.105 1.00 1.00 N ATOM 0 H LYS A 47 13.209 4.373 29.619 1.00 1.00 H new ATOM 0 HA LYS A 47 13.893 2.159 31.304 1.00 1.00 H new ATOM 0 HB2 LYS A 47 13.300 4.533 31.967 1.00 1.00 H new ATOM 0 HB3 LYS A 47 11.628 4.112 31.652 1.00 1.00 H new ATOM 0 HG2 LYS A 47 12.142 2.015 33.195 1.00 1.00 H new ATOM 0 HG3 LYS A 47 13.499 2.976 33.749 1.00 1.00 H new ATOM 0 HD2 LYS A 47 10.798 4.310 33.637 1.00 1.00 H new ATOM 0 HD3 LYS A 47 11.070 3.135 34.909 1.00 1.00 H new ATOM 0 HE2 LYS A 47 13.242 4.418 35.460 1.00 1.00 H new ATOM 0 HE3 LYS A 47 12.682 5.668 34.367 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 12.041 6.139 36.639 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 10.660 5.878 35.687 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 11.202 4.667 36.746 1.00 1.00 H new ATOM 749 N ASP A 48 11.390 1.835 29.347 1.00 1.00 N ATOM 750 CA ASP A 48 10.361 0.920 28.883 1.00 1.00 C ATOM 751 C ASP A 48 10.842 0.219 27.611 1.00 1.00 C ATOM 752 O ASP A 48 10.034 -0.268 26.822 1.00 1.00 O ATOM 753 CB ASP A 48 9.069 1.669 28.549 1.00 1.00 C ATOM 754 CG ASP A 48 8.107 1.854 29.725 1.00 1.00 C ATOM 755 OD1 ASP A 48 7.684 2.978 30.034 1.00 1.00 O ATOM 756 OD2 ASP A 48 7.787 0.768 30.344 1.00 1.00 O ATOM 0 H ASP A 48 11.596 2.604 28.710 1.00 1.00 H new ATOM 0 HA ASP A 48 10.167 0.200 29.678 1.00 1.00 H new ATOM 0 HB2 ASP A 48 9.328 2.651 28.153 1.00 1.00 H new ATOM 0 HB3 ASP A 48 8.550 1.132 27.755 1.00 1.00 H new ATOM 762 N CYS A 49 12.158 0.190 27.451 1.00 1.00 N ATOM 763 CA CYS A 49 12.757 -0.443 26.289 1.00 1.00 C ATOM 764 C CYS A 49 12.964 -1.926 26.603 1.00 1.00 C ATOM 765 O CYS A 49 13.821 -2.279 27.412 1.00 1.00 O ATOM 766 CB CYS A 49 14.063 0.242 25.882 1.00 1.00 C ATOM 767 SG CYS A 49 14.684 -0.474 24.316 1.00 1.00 S ATOM 0 H CYS A 49 12.825 0.595 28.107 1.00 1.00 H new ATOM 0 HA CYS A 49 12.089 -0.344 25.433 1.00 1.00 H new ATOM 0 HB2 CYS A 49 13.899 1.313 25.762 1.00 1.00 H new ATOM 0 HB3 CYS A 49 14.808 0.119 26.668 1.00 1.00 H new ATOM 772 N THR A 50 12.164 -2.754 25.947 1.00 1.00 N ATOM 773 CA THR A 50 12.249 -4.191 26.146 1.00 1.00 C ATOM 774 C THR A 50 13.440 -4.766 25.378 1.00 1.00 C ATOM 775 O THR A 50 13.669 -5.975 25.393 1.00 1.00 O ATOM 776 CB THR A 50 10.909 -4.805 25.738 1.00 1.00 C ATOM 777 OG1 THR A 50 9.954 -4.123 26.546 1.00 1.00 O ATOM 778 CG2 THR A 50 10.781 -6.269 26.164 1.00 1.00 C ATOM 0 H THR A 50 11.454 -2.457 25.277 1.00 1.00 H new ATOM 0 HA THR A 50 12.429 -4.435 27.193 1.00 1.00 H new ATOM 0 HB THR A 50 10.790 -4.730 24.657 1.00 1.00 H new ATOM 0 HG1 THR A 50 9.056 -4.459 26.344 1.00 1.00 H new ATOM 0 HG21 THR A 50 9.812 -6.656 25.850 1.00 1.00 H new ATOM 0 HG22 THR A 50 11.574 -6.854 25.698 1.00 1.00 H new ATOM 0 HG23 THR A 50 10.866 -6.341 27.248 1.00 1.00 H new ATOM 786 N GLU A 51 14.168 -3.874 24.723 1.00 1.00 N ATOM 787 CA GLU A 51 15.331 -4.277 23.950 1.00 1.00 C ATOM 788 C GLU A 51 16.498 -3.323 24.208 1.00 1.00 C ATOM 789 O GLU A 51 16.441 -2.500 25.121 1.00 1.00 O ATOM 790 CB GLU A 51 14.999 -4.347 22.458 1.00 1.00 C ATOM 791 CG GLU A 51 14.705 -2.955 21.896 1.00 1.00 C ATOM 792 CD GLU A 51 16.001 -2.221 21.544 1.00 1.00 C ATOM 793 OE1 GLU A 51 16.394 -1.283 22.253 1.00 1.00 O ATOM 794 OE2 GLU A 51 16.606 -2.658 20.492 1.00 1.00 O ATOM 0 H GLU A 51 13.975 -2.872 24.712 1.00 1.00 H new ATOM 0 HA GLU A 51 15.628 -5.276 24.271 1.00 1.00 H new ATOM 0 HB2 GLU A 51 15.833 -4.793 21.917 1.00 1.00 H new ATOM 0 HB3 GLU A 51 14.136 -4.995 22.304 1.00 1.00 H new ATOM 0 HG2 GLU A 51 14.079 -3.042 21.008 1.00 1.00 H new ATOM 0 HG3 GLU A 51 14.141 -2.375 22.627 1.00 1.00 H new ATOM 802 N ARG A 52 17.529 -3.465 23.389 1.00 1.00 N ATOM 803 CA ARG A 52 18.708 -2.625 23.518 1.00 1.00 C ATOM 804 C ARG A 52 19.377 -2.437 22.154 1.00 1.00 C ATOM 805 O ARG A 52 20.199 -3.256 21.744 1.00 1.00 O ATOM 806 CB ARG A 52 19.716 -3.237 24.493 1.00 1.00 C ATOM 807 CG ARG A 52 20.686 -2.176 25.017 1.00 1.00 C ATOM 808 CD ARG A 52 20.285 -1.711 26.418 1.00 1.00 C ATOM 809 NE ARG A 52 20.522 -2.794 27.398 1.00 1.00 N ATOM 810 CZ ARG A 52 19.852 -2.922 28.563 1.00 1.00 C ATOM 811 NH1 ARG A 52 18.896 -2.032 28.904 1.00 1.00 N ATOM 812 NH2 ARG A 52 20.146 -3.929 29.364 1.00 1.00 N ATOM 0 H ARG A 52 17.573 -4.149 22.634 1.00 1.00 H new ATOM 0 HA ARG A 52 18.386 -1.658 23.905 1.00 1.00 H new ATOM 0 HB2 ARG A 52 19.187 -3.695 25.328 1.00 1.00 H new ATOM 0 HB3 ARG A 52 20.274 -4.030 23.995 1.00 1.00 H new ATOM 0 HG2 ARG A 52 21.697 -2.582 25.040 1.00 1.00 H new ATOM 0 HG3 ARG A 52 20.700 -1.324 24.337 1.00 1.00 H new ATOM 0 HD2 ARG A 52 20.859 -0.827 26.695 1.00 1.00 H new ATOM 0 HD3 ARG A 52 19.233 -1.424 26.428 1.00 1.00 H new ATOM 0 HE ARG A 52 21.237 -3.488 27.179 1.00 1.00 H new ATOM 0 HH11 ARG A 52 18.676 -1.256 28.280 1.00 1.00 H new ATOM 0 HH12 ARG A 52 18.394 -2.135 29.786 1.00 1.00 H new ATOM 0 HH21 ARG A 52 20.870 -4.597 29.099 1.00 1.00 H new ATOM 0 HH22 ARG A 52 19.649 -4.040 30.248 1.00 1.00 H new ATOM 825 N GLN A 53 19.001 -1.355 21.490 1.00 1.00 N ATOM 826 CA GLN A 53 19.554 -1.049 20.182 1.00 1.00 C ATOM 827 C GLN A 53 19.727 -2.331 19.366 1.00 1.00 C ATOM 828 O GLN A 53 18.777 -2.812 18.750 1.00 1.00 O ATOM 829 CB GLN A 53 20.880 -0.297 20.310 1.00 1.00 C ATOM 830 CG GLN A 53 21.576 -0.633 21.630 1.00 1.00 C ATOM 831 CD GLN A 53 22.902 0.121 21.759 1.00 1.00 C ATOM 832 OE1 GLN A 53 23.978 -0.443 21.650 1.00 1.00 O ATOM 833 NE2 GLN A 53 22.764 1.422 21.995 1.00 1.00 N ATOM 0 H GLN A 53 18.319 -0.678 21.833 1.00 1.00 H new ATOM 0 HA GLN A 53 18.855 -0.399 19.656 1.00 1.00 H new ATOM 0 HB2 GLN A 53 21.531 -0.556 19.475 1.00 1.00 H new ATOM 0 HB3 GLN A 53 20.700 0.777 20.253 1.00 1.00 H new ATOM 0 HG2 GLN A 53 20.924 -0.375 22.465 1.00 1.00 H new ATOM 0 HG3 GLN A 53 21.757 -1.706 21.687 1.00 1.00 H new ATOM 0 HE21 GLN A 53 21.833 1.830 22.075 1.00 1.00 H new ATOM 0 HE22 GLN A 53 23.590 2.012 22.096 1.00 1.00 H new ATOM 842 N ALA A 54 20.947 -2.848 19.387 1.00 1.00 N ATOM 843 CA ALA A 54 21.256 -4.065 18.657 1.00 1.00 C ATOM 844 C ALA A 54 20.373 -5.203 19.173 1.00 1.00 C ATOM 845 O ALA A 54 20.298 -5.439 20.378 1.00 1.00 O ATOM 846 CB ALA A 54 22.748 -4.378 18.794 1.00 1.00 C ATOM 0 H ALA A 54 21.733 -2.446 19.898 1.00 1.00 H new ATOM 0 HA ALA A 54 21.045 -3.939 17.595 1.00 1.00 H new ATOM 0 HB1 ALA A 54 22.980 -5.291 18.246 1.00 1.00 H new ATOM 0 HB2 ALA A 54 23.332 -3.552 18.387 1.00 1.00 H new ATOM 0 HB3 ALA A 54 22.996 -4.513 19.847 1.00 1.00 H new ATOM 852 N ASN A 55 19.726 -5.879 18.234 1.00 1.00 N ATOM 853 CA ASN A 55 18.850 -6.986 18.579 1.00 1.00 C ATOM 854 C ASN A 55 19.638 -8.295 18.507 1.00 1.00 C ATOM 855 O ASN A 55 20.841 -8.315 18.764 1.00 1.00 O ATOM 856 CB ASN A 55 17.677 -7.086 17.601 1.00 1.00 C ATOM 857 CG ASN A 55 18.155 -7.526 16.215 1.00 1.00 C ATOM 858 OD1 ASN A 55 19.308 -7.370 15.849 1.00 1.00 O ATOM 859 ND2 ASN A 55 17.206 -8.083 15.468 1.00 1.00 N ATOM 0 H ASN A 55 19.791 -5.681 17.235 1.00 1.00 H new ATOM 0 HA ASN A 55 18.467 -6.812 19.585 1.00 1.00 H new ATOM 0 HB2 ASN A 55 16.943 -7.797 17.979 1.00 1.00 H new ATOM 0 HB3 ASN A 55 17.177 -6.120 17.528 1.00 1.00 H new ATOM 0 HD21 ASN A 55 17.424 -8.410 14.527 1.00 1.00 H new ATOM 0 HD22 ASN A 55 16.260 -8.183 15.836 1.00 1.00 H new TER 866 ASN A 55 HETATM 867 ZN ZN A 56 -3.360 6.389 15.661 1.00 1.00 ZN HETATM 868 ZN ZN A 57 13.255 0.690 22.936 1.00 1.00 ZN