USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 420 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 Set 1.1: A 9 ASN : amide:sc= -0.454 K(o=0.091,f=-4.3!) USER MOD Set 1.2: A 14 LYS NZ :NH3+ -129:sc= 0.217 (180deg=0) USER MOD Set 1.3: A 56 THR OG1 : rot 180:sc= 0.329 USER MOD Set 2.1: A 17 THR OG1 : rot 121:sc= 0.964 USER MOD Set 2.2: A 34 TYR OH : rot 121:sc= 0.152 USER MOD Single : A 1 MET CE :methyl -117:sc= -0.0126 (180deg=-0.782) USER MOD Single : A 1 MET N :NH3+ -149:sc= 1.29 (180deg=-0.0335) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0036 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= 1.27 (180deg=0.692) USER MOD Single : A 12 THR OG1 : rot -6:sc= 0.409 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 111:sc= 1.14 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.68 X(o=-0.68,f=-1.1) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 127:sc= 1.26 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.641 2.535 6.150 1.00 0.00 N ATOM 2 CA MET A 1 -15.316 2.241 4.743 1.00 0.00 C ATOM 3 C MET A 1 -14.255 1.148 4.637 1.00 0.00 C ATOM 4 O MET A 1 -13.629 0.768 5.629 1.00 0.00 O ATOM 5 CB MET A 1 -14.915 3.512 3.971 1.00 0.00 C ATOM 6 CG MET A 1 -16.068 4.516 3.900 1.00 0.00 C ATOM 7 SD MET A 1 -15.760 5.997 2.920 1.00 0.00 S ATOM 8 CE MET A 1 -15.763 5.247 1.273 1.00 0.00 C ATOM 0 H1 MET A 1 -16.635 2.833 6.222 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.493 1.682 6.726 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.025 3.298 6.497 1.00 0.00 H new ATOM 0 HA MET A 1 -16.221 1.860 4.270 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.056 3.977 4.456 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.604 3.242 2.962 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.942 4.008 3.492 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.322 4.821 4.915 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.781 5.369 0.816 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.994 4.185 1.357 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.515 5.734 0.653 1.00 0.00 H new ATOM 18 N GLY A 2 -14.074 0.615 3.425 1.00 0.00 N ATOM 19 CA GLY A 2 -13.126 -0.429 3.072 1.00 0.00 C ATOM 20 C GLY A 2 -11.727 -0.053 3.527 1.00 0.00 C ATOM 21 O GLY A 2 -11.155 0.900 3.003 1.00 0.00 O ATOM 0 H GLY A 2 -14.621 0.924 2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.424 -1.370 3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.134 -0.586 1.993 1.00 0.00 H new ATOM 25 N THR A 3 -11.175 -0.797 4.488 1.00 0.00 N ATOM 26 CA THR A 3 -9.849 -0.551 5.036 1.00 0.00 C ATOM 27 C THR A 3 -8.859 -1.437 4.280 1.00 0.00 C ATOM 28 O THR A 3 -8.866 -2.659 4.420 1.00 0.00 O ATOM 29 CB THR A 3 -9.864 -0.846 6.551 1.00 0.00 C ATOM 30 OG1 THR A 3 -10.612 0.154 7.219 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.462 -0.855 7.176 1.00 0.00 C ATOM 0 H THR A 3 -11.647 -1.597 4.910 1.00 0.00 H new ATOM 0 HA THR A 3 -9.547 0.489 4.914 1.00 0.00 H new ATOM 0 HB THR A 3 -10.303 -1.837 6.665 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.623 -0.034 8.181 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.540 -1.068 8.242 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.855 -1.623 6.696 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.994 0.119 7.034 1.00 0.00 H new ATOM 39 N TYR A 4 -8.024 -0.795 3.455 1.00 0.00 N ATOM 40 CA TYR A 4 -7.001 -1.452 2.659 1.00 0.00 C ATOM 41 C TYR A 4 -5.713 -1.353 3.480 1.00 0.00 C ATOM 42 O TYR A 4 -5.257 -0.248 3.795 1.00 0.00 O ATOM 43 CB TYR A 4 -6.836 -0.772 1.287 1.00 0.00 C ATOM 44 CG TYR A 4 -8.035 -0.815 0.351 1.00 0.00 C ATOM 45 CD1 TYR A 4 -9.021 0.192 0.417 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.124 -1.814 -0.640 1.00 0.00 C ATOM 47 CE1 TYR A 4 -10.083 0.209 -0.508 1.00 0.00 C ATOM 48 CE2 TYR A 4 -9.184 -1.800 -1.567 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.166 -0.783 -1.511 1.00 0.00 C ATOM 50 OH TYR A 4 -11.221 -0.788 -2.374 1.00 0.00 O ATOM 0 H TYR A 4 -8.047 0.216 3.325 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.266 -2.489 2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.574 0.273 1.455 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.991 -1.235 0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -8.961 0.953 1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.377 -2.592 -0.688 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -10.835 0.982 -0.451 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.248 -2.568 -2.323 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.126 -1.534 -3.002 1.00 0.00 H new ATOM 60 N LYS A 5 -5.192 -2.502 3.917 1.00 0.00 N ATOM 61 CA LYS A 5 -3.963 -2.603 4.705 1.00 0.00 C ATOM 62 C LYS A 5 -2.782 -2.457 3.749 1.00 0.00 C ATOM 63 O LYS A 5 -2.608 -3.327 2.897 1.00 0.00 O ATOM 64 CB LYS A 5 -3.906 -3.971 5.397 1.00 0.00 C ATOM 65 CG LYS A 5 -5.044 -4.241 6.391 1.00 0.00 C ATOM 66 CD LYS A 5 -5.202 -5.752 6.581 1.00 0.00 C ATOM 67 CE LYS A 5 -6.256 -6.051 7.644 1.00 0.00 C ATOM 68 NZ LYS A 5 -6.507 -7.499 7.728 1.00 0.00 N ATOM 0 H LYS A 5 -5.623 -3.407 3.728 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.932 -1.825 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.918 -4.749 4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.955 -4.056 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.828 -3.763 7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.975 -3.810 6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.488 -6.215 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.247 -6.189 6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.921 -5.677 8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.182 -5.529 7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.226 -7.685 8.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.847 -7.846 6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.625 -7.990 7.979 1.00 0.00 H new ATOM 82 N LEU A 6 -2.034 -1.361 3.824 1.00 0.00 N ATOM 83 CA LEU A 6 -0.882 -1.108 2.966 1.00 0.00 C ATOM 84 C LEU A 6 0.350 -1.711 3.635 1.00 0.00 C ATOM 85 O LEU A 6 0.692 -1.312 4.750 1.00 0.00 O ATOM 86 CB LEU A 6 -0.717 0.403 2.746 1.00 0.00 C ATOM 87 CG LEU A 6 0.203 0.840 1.586 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.591 0.205 1.567 1.00 0.00 C ATOM 89 CD2 LEU A 6 -0.419 0.620 0.204 1.00 0.00 C ATOM 0 H LEU A 6 -2.214 -0.612 4.493 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.020 -1.568 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.705 0.832 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.333 0.841 3.668 1.00 0.00 H new ATOM 0 HG LEU A 6 0.320 1.904 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.152 0.582 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.119 0.457 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.495 -0.878 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.280 0.948 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.638 -0.439 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.342 1.194 0.125 1.00 0.00 H new ATOM 101 N ILE A 7 0.993 -2.684 2.991 1.00 0.00 N ATOM 102 CA ILE A 7 2.194 -3.353 3.482 1.00 0.00 C ATOM 103 C ILE A 7 3.328 -3.033 2.500 1.00 0.00 C ATOM 104 O ILE A 7 3.222 -3.313 1.305 1.00 0.00 O ATOM 105 CB ILE A 7 1.958 -4.874 3.681 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.199 -5.213 4.986 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.287 -5.656 3.756 1.00 0.00 C ATOM 108 CD1 ILE A 7 -0.281 -4.817 5.028 1.00 0.00 C ATOM 0 H ILE A 7 0.682 -3.038 2.086 1.00 0.00 H new ATOM 0 HA ILE A 7 2.469 -2.988 4.472 1.00 0.00 H new ATOM 0 HB ILE A 7 1.365 -5.163 2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.272 -6.287 5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.709 -4.724 5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.078 -6.717 3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.845 -5.515 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.878 -5.289 4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.707 -5.104 5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.373 -3.739 4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.817 -5.326 4.227 1.00 0.00 H new ATOM 120 N LEU A 8 4.372 -2.382 3.010 1.00 0.00 N ATOM 121 CA LEU A 8 5.596 -1.985 2.320 1.00 0.00 C ATOM 122 C LEU A 8 6.523 -3.186 2.508 1.00 0.00 C ATOM 123 O LEU A 8 6.833 -3.524 3.652 1.00 0.00 O ATOM 124 CB LEU A 8 6.194 -0.734 3.003 1.00 0.00 C ATOM 125 CG LEU A 8 6.224 0.547 2.165 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.835 0.984 1.717 1.00 0.00 C ATOM 127 CD2 LEU A 8 6.861 1.661 3.007 1.00 0.00 C ATOM 0 H LEU A 8 4.384 -2.098 3.989 1.00 0.00 H new ATOM 0 HA LEU A 8 5.439 -1.734 1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.625 -0.535 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.214 -0.966 3.310 1.00 0.00 H new ATOM 0 HG LEU A 8 6.804 0.349 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.914 1.897 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.384 0.198 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.212 1.170 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.892 2.583 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.269 1.819 3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.875 1.373 3.284 1.00 0.00 H new ATOM 139 N ASN A 9 6.985 -3.813 1.428 1.00 0.00 N ATOM 140 CA ASN A 9 7.849 -4.989 1.472 1.00 0.00 C ATOM 141 C ASN A 9 9.009 -4.861 0.478 1.00 0.00 C ATOM 142 O ASN A 9 8.928 -5.379 -0.637 1.00 0.00 O ATOM 143 CB ASN A 9 6.966 -6.219 1.206 1.00 0.00 C ATOM 144 CG ASN A 9 7.774 -7.500 1.085 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.599 -7.818 1.938 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.543 -8.273 0.043 1.00 0.00 N ATOM 0 H ASN A 9 6.764 -3.511 0.479 1.00 0.00 H new ATOM 0 HA ASN A 9 8.319 -5.091 2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.243 -6.325 2.014 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.398 -6.063 0.289 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.053 -9.150 -0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.855 -7.994 -0.656 1.00 0.00 H new ATOM 153 N GLY A 10 10.079 -4.158 0.875 1.00 0.00 N ATOM 154 CA GLY A 10 11.263 -3.938 0.044 1.00 0.00 C ATOM 155 C GLY A 10 12.539 -4.407 0.744 1.00 0.00 C ATOM 156 O GLY A 10 12.594 -4.474 1.974 1.00 0.00 O ATOM 0 H GLY A 10 10.144 -3.722 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.149 -4.470 -0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.348 -2.878 -0.196 1.00 0.00 H new ATOM 160 N LYS A 11 13.601 -4.623 -0.039 1.00 0.00 N ATOM 161 CA LYS A 11 14.951 -5.095 0.305 1.00 0.00 C ATOM 162 C LYS A 11 15.700 -4.441 1.476 1.00 0.00 C ATOM 163 O LYS A 11 16.878 -4.758 1.649 1.00 0.00 O ATOM 164 CB LYS A 11 15.839 -5.020 -0.964 1.00 0.00 C ATOM 165 CG LYS A 11 16.206 -3.577 -1.393 1.00 0.00 C ATOM 166 CD LYS A 11 15.431 -3.081 -2.619 1.00 0.00 C ATOM 167 CE LYS A 11 15.699 -1.587 -2.831 1.00 0.00 C ATOM 168 NZ LYS A 11 15.180 -1.089 -4.119 1.00 0.00 N ATOM 0 H LYS A 11 13.529 -4.453 -1.042 1.00 0.00 H new ATOM 0 HA LYS A 11 14.770 -6.105 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.757 -5.580 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.321 -5.512 -1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.019 -2.901 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.274 -3.532 -1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.732 -3.643 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.364 -3.253 -2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.243 -1.022 -2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.773 -1.405 -2.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.933 -0.083 -4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.908 -1.202 -4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.333 -1.631 -4.385 1.00 0.00 H new ATOM 182 N THR A 12 15.186 -3.442 2.192 1.00 0.00 N ATOM 183 CA THR A 12 15.935 -2.838 3.302 1.00 0.00 C ATOM 184 C THR A 12 15.059 -2.468 4.499 1.00 0.00 C ATOM 185 O THR A 12 15.547 -2.525 5.632 1.00 0.00 O ATOM 186 CB THR A 12 16.756 -1.651 2.758 1.00 0.00 C ATOM 187 OG1 THR A 12 17.644 -2.102 1.750 1.00 0.00 O ATOM 188 CG2 THR A 12 17.629 -0.951 3.805 1.00 0.00 C ATOM 0 H THR A 12 14.265 -3.035 2.029 1.00 0.00 H new ATOM 0 HA THR A 12 16.619 -3.584 3.706 1.00 0.00 H new ATOM 0 HB THR A 12 16.011 -0.943 2.394 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.601 -3.079 1.689 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.171 -0.130 3.336 1.00 0.00 H new ATOM 0 HG22 THR A 12 16.998 -0.561 4.603 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.340 -1.664 4.221 1.00 0.00 H new ATOM 196 N LEU A 13 13.820 -2.023 4.280 1.00 0.00 N ATOM 197 CA LEU A 13 12.902 -1.641 5.343 1.00 0.00 C ATOM 198 C LEU A 13 11.472 -1.971 4.926 1.00 0.00 C ATOM 199 O LEU A 13 11.208 -2.264 3.755 1.00 0.00 O ATOM 200 CB LEU A 13 13.123 -0.172 5.780 1.00 0.00 C ATOM 201 CG LEU A 13 12.691 0.987 4.854 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.280 0.903 3.440 1.00 0.00 C ATOM 203 CD2 LEU A 13 11.172 1.159 4.801 1.00 0.00 C ATOM 0 H LEU A 13 13.425 -1.918 3.345 1.00 0.00 H new ATOM 0 HA LEU A 13 13.106 -2.225 6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.607 -0.036 6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.188 -0.050 5.976 1.00 0.00 H new ATOM 0 HG LEU A 13 13.116 1.879 5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.931 1.750 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.368 0.924 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.959 -0.025 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.922 1.986 4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.715 0.243 4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.795 1.371 5.801 1.00 0.00 H new ATOM 215 N LYS A 14 10.543 -1.881 5.878 1.00 0.00 N ATOM 216 CA LYS A 14 9.124 -2.166 5.693 1.00 0.00 C ATOM 217 C LYS A 14 8.242 -1.182 6.450 1.00 0.00 C ATOM 218 O LYS A 14 8.731 -0.383 7.252 1.00 0.00 O ATOM 219 CB LYS A 14 8.819 -3.595 6.148 1.00 0.00 C ATOM 220 CG LYS A 14 9.501 -4.647 5.269 1.00 0.00 C ATOM 221 CD LYS A 14 8.784 -5.975 5.482 1.00 0.00 C ATOM 222 CE LYS A 14 9.538 -7.100 4.786 1.00 0.00 C ATOM 223 NZ LYS A 14 8.788 -8.364 4.867 1.00 0.00 N ATOM 0 H LYS A 14 10.768 -1.598 6.832 1.00 0.00 H new ATOM 0 HA LYS A 14 8.900 -2.060 4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.145 -3.722 7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.741 -3.756 6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.457 -4.354 4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.555 -4.737 5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.705 -6.186 6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.768 -5.914 5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.706 -6.839 3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.519 -7.224 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.412 -9.115 5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.980 -8.248 5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.441 -8.623 3.921 1.00 0.00 H new ATOM 237 N GLY A 15 6.954 -1.189 6.140 1.00 0.00 N ATOM 238 CA GLY A 15 5.938 -0.354 6.751 1.00 0.00 C ATOM 239 C GLY A 15 4.623 -1.122 6.703 1.00 0.00 C ATOM 240 O GLY A 15 4.431 -1.965 5.822 1.00 0.00 O ATOM 0 H GLY A 15 6.574 -1.806 5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.206 -0.116 7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.849 0.593 6.218 1.00 0.00 H new ATOM 244 N GLU A 16 3.722 -0.858 7.640 1.00 0.00 N ATOM 245 CA GLU A 16 2.418 -1.496 7.708 1.00 0.00 C ATOM 246 C GLU A 16 1.488 -0.396 8.203 1.00 0.00 C ATOM 247 O GLU A 16 1.605 0.040 9.352 1.00 0.00 O ATOM 248 CB GLU A 16 2.486 -2.698 8.672 1.00 0.00 C ATOM 249 CG GLU A 16 1.149 -3.451 8.752 1.00 0.00 C ATOM 250 CD GLU A 16 1.064 -4.453 9.910 1.00 0.00 C ATOM 251 OE1 GLU A 16 2.084 -5.011 10.362 1.00 0.00 O ATOM 252 OE2 GLU A 16 -0.068 -4.721 10.394 1.00 0.00 O ATOM 0 H GLU A 16 3.882 -0.182 8.387 1.00 0.00 H new ATOM 0 HA GLU A 16 2.070 -1.898 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.268 -3.382 8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.765 -2.349 9.666 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.341 -2.726 8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.986 -3.981 7.814 1.00 0.00 H new ATOM 259 N THR A 17 0.498 -0.007 7.406 1.00 0.00 N ATOM 260 CA THR A 17 -0.437 1.053 7.766 1.00 0.00 C ATOM 261 C THR A 17 -1.844 0.725 7.257 1.00 0.00 C ATOM 262 O THR A 17 -2.030 -0.119 6.373 1.00 0.00 O ATOM 263 CB THR A 17 0.094 2.397 7.206 1.00 0.00 C ATOM 264 OG1 THR A 17 0.540 2.266 5.865 1.00 0.00 O ATOM 265 CG2 THR A 17 1.258 2.970 8.021 1.00 0.00 C ATOM 0 H THR A 17 0.321 -0.419 6.490 1.00 0.00 H new ATOM 0 HA THR A 17 -0.512 1.138 8.850 1.00 0.00 H new ATOM 0 HB THR A 17 -0.756 3.077 7.266 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.030 2.874 5.290 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.584 3.911 7.578 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.933 3.146 9.046 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.087 2.262 8.020 1.00 0.00 H new ATOM 273 N THR A 18 -2.859 1.409 7.788 1.00 0.00 N ATOM 274 CA THR A 18 -4.242 1.203 7.377 1.00 0.00 C ATOM 275 C THR A 18 -4.905 2.556 7.143 1.00 0.00 C ATOM 276 O THR A 18 -4.649 3.523 7.865 1.00 0.00 O ATOM 277 CB THR A 18 -4.990 0.388 8.457 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.520 0.613 9.783 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.871 -1.110 8.188 1.00 0.00 C ATOM 0 H THR A 18 -2.743 2.118 8.512 1.00 0.00 H new ATOM 0 HA THR A 18 -4.276 0.638 6.445 1.00 0.00 H new ATOM 0 HB THR A 18 -6.023 0.731 8.392 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.039 0.068 10.411 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.405 -1.662 8.961 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.303 -1.340 7.214 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.820 -1.399 8.197 1.00 0.00 H new ATOM 287 N THR A 19 -5.650 2.680 6.052 1.00 0.00 N ATOM 288 CA THR A 19 -6.415 3.851 5.644 1.00 0.00 C ATOM 289 C THR A 19 -7.625 3.316 4.869 1.00 0.00 C ATOM 290 O THR A 19 -7.469 2.343 4.113 1.00 0.00 O ATOM 291 CB THR A 19 -5.516 4.847 4.896 1.00 0.00 C ATOM 292 OG1 THR A 19 -4.600 5.391 5.827 1.00 0.00 O ATOM 293 CG2 THR A 19 -6.282 6.012 4.267 1.00 0.00 C ATOM 0 H THR A 19 -5.742 1.914 5.385 1.00 0.00 H new ATOM 0 HA THR A 19 -6.791 4.442 6.479 1.00 0.00 H new ATOM 0 HB THR A 19 -5.033 4.299 4.087 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.698 5.063 5.629 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.583 6.674 3.756 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.006 5.626 3.550 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.804 6.567 5.046 1.00 0.00 H new ATOM 301 N GLU A 20 -8.819 3.869 5.063 1.00 0.00 N ATOM 302 CA GLU A 20 -10.014 3.433 4.355 1.00 0.00 C ATOM 303 C GLU A 20 -10.346 4.414 3.233 1.00 0.00 C ATOM 304 O GLU A 20 -10.214 5.626 3.415 1.00 0.00 O ATOM 305 CB GLU A 20 -11.176 3.193 5.322 1.00 0.00 C ATOM 306 CG GLU A 20 -11.518 4.364 6.252 1.00 0.00 C ATOM 307 CD GLU A 20 -12.718 4.004 7.126 1.00 0.00 C ATOM 308 OE1 GLU A 20 -12.571 3.152 8.041 1.00 0.00 O ATOM 309 OE2 GLU A 20 -13.833 4.489 6.852 1.00 0.00 O ATOM 0 H GLU A 20 -8.983 4.634 5.718 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.823 2.469 3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.063 2.943 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.941 2.323 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.660 4.603 6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.741 5.254 5.663 1.00 0.00 H new ATOM 316 N ALA A 21 -10.758 3.893 2.075 1.00 0.00 N ATOM 317 CA ALA A 21 -11.100 4.674 0.894 1.00 0.00 C ATOM 318 C ALA A 21 -12.272 4.038 0.142 1.00 0.00 C ATOM 319 O ALA A 21 -12.700 2.926 0.468 1.00 0.00 O ATOM 320 CB ALA A 21 -9.860 4.780 -0.009 1.00 0.00 C ATOM 0 H ALA A 21 -10.864 2.888 1.934 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.412 5.673 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.105 5.363 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.054 5.271 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.541 3.781 -0.308 1.00 0.00 H new ATOM 326 N VAL A 22 -12.786 4.745 -0.867 1.00 0.00 N ATOM 327 CA VAL A 22 -13.891 4.277 -1.695 1.00 0.00 C ATOM 328 C VAL A 22 -13.387 3.356 -2.815 1.00 0.00 C ATOM 329 O VAL A 22 -14.183 2.590 -3.359 1.00 0.00 O ATOM 330 CB VAL A 22 -14.683 5.491 -2.233 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.946 6.271 -3.333 1.00 0.00 C ATOM 332 CG2 VAL A 22 -16.082 5.084 -2.714 1.00 0.00 C ATOM 0 H VAL A 22 -12.441 5.667 -1.132 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.571 3.677 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.783 6.167 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.563 7.108 -3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.001 6.648 -2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.751 5.611 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.609 5.963 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.992 4.350 -3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.640 4.650 -1.884 1.00 0.00 H new ATOM 342 N ASP A 23 -12.095 3.412 -3.161 1.00 0.00 N ATOM 343 CA ASP A 23 -11.527 2.591 -4.227 1.00 0.00 C ATOM 344 C ASP A 23 -10.037 2.387 -3.980 1.00 0.00 C ATOM 345 O ASP A 23 -9.420 3.138 -3.212 1.00 0.00 O ATOM 346 CB ASP A 23 -11.718 3.303 -5.583 1.00 0.00 C ATOM 347 CG ASP A 23 -12.433 2.446 -6.626 1.00 0.00 C ATOM 348 OD1 ASP A 23 -12.475 1.193 -6.514 1.00 0.00 O ATOM 349 OD2 ASP A 23 -12.992 3.052 -7.567 1.00 0.00 O ATOM 0 H ASP A 23 -11.419 4.027 -2.709 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.032 1.625 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.286 4.220 -5.426 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.742 3.595 -5.971 1.00 0.00 H new ATOM 354 N ALA A 24 -9.458 1.393 -4.656 1.00 0.00 N ATOM 355 CA ALA A 24 -8.048 1.054 -4.536 1.00 0.00 C ATOM 356 C ALA A 24 -7.155 2.201 -5.017 1.00 0.00 C ATOM 357 O ALA A 24 -6.163 2.501 -4.360 1.00 0.00 O ATOM 358 CB ALA A 24 -7.748 -0.235 -5.309 1.00 0.00 C ATOM 0 H ALA A 24 -9.966 0.796 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.826 0.889 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.690 -0.479 -5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.347 -1.050 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.993 -0.093 -6.362 1.00 0.00 H new ATOM 364 N ALA A 25 -7.507 2.878 -6.113 1.00 0.00 N ATOM 365 CA ALA A 25 -6.738 3.988 -6.669 1.00 0.00 C ATOM 366 C ALA A 25 -6.513 5.087 -5.628 1.00 0.00 C ATOM 367 O ALA A 25 -5.405 5.599 -5.491 1.00 0.00 O ATOM 368 CB ALA A 25 -7.455 4.552 -7.897 1.00 0.00 C ATOM 0 H ALA A 25 -8.350 2.664 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.760 3.611 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.877 5.380 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.556 3.771 -8.650 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.444 4.908 -7.609 1.00 0.00 H new ATOM 374 N THR A 26 -7.548 5.473 -4.881 1.00 0.00 N ATOM 375 CA THR A 26 -7.408 6.505 -3.862 1.00 0.00 C ATOM 376 C THR A 26 -6.461 6.023 -2.749 1.00 0.00 C ATOM 377 O THR A 26 -5.774 6.839 -2.129 1.00 0.00 O ATOM 378 CB THR A 26 -8.808 6.932 -3.396 1.00 0.00 C ATOM 379 OG1 THR A 26 -9.524 7.379 -4.540 1.00 0.00 O ATOM 380 CG2 THR A 26 -8.765 8.069 -2.374 1.00 0.00 C ATOM 0 H THR A 26 -8.488 5.086 -4.964 1.00 0.00 H new ATOM 0 HA THR A 26 -6.934 7.403 -4.258 1.00 0.00 H new ATOM 0 HB THR A 26 -9.285 6.078 -2.915 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.425 7.658 -4.274 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.781 8.331 -2.079 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.203 7.748 -1.497 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.280 8.939 -2.817 1.00 0.00 H new ATOM 388 N ALA A 27 -6.406 4.717 -2.471 1.00 0.00 N ATOM 389 CA ALA A 27 -5.508 4.183 -1.459 1.00 0.00 C ATOM 390 C ALA A 27 -4.060 4.234 -1.978 1.00 0.00 C ATOM 391 O ALA A 27 -3.151 4.663 -1.276 1.00 0.00 O ATOM 392 CB ALA A 27 -5.938 2.771 -1.059 1.00 0.00 C ATOM 0 H ALA A 27 -6.978 4.013 -2.938 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.557 4.794 -0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.257 2.384 -0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.951 2.799 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.914 2.122 -1.934 1.00 0.00 H new ATOM 398 N GLU A 28 -3.869 3.798 -3.231 1.00 0.00 N ATOM 399 CA GLU A 28 -2.613 3.736 -3.972 1.00 0.00 C ATOM 400 C GLU A 28 -1.933 5.102 -4.026 1.00 0.00 C ATOM 401 O GLU A 28 -0.788 5.252 -3.603 1.00 0.00 O ATOM 402 CB GLU A 28 -2.945 3.219 -5.398 1.00 0.00 C ATOM 403 CG GLU A 28 -1.895 3.416 -6.521 1.00 0.00 C ATOM 404 CD GLU A 28 -2.377 4.305 -7.693 1.00 0.00 C ATOM 405 OE1 GLU A 28 -3.498 4.121 -8.211 1.00 0.00 O ATOM 406 OE2 GLU A 28 -1.619 5.208 -8.139 1.00 0.00 O ATOM 0 H GLU A 28 -4.650 3.455 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.913 3.064 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.153 2.152 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.868 3.702 -5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.997 3.859 -6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.612 2.439 -6.913 1.00 0.00 H new ATOM 413 N LYS A 29 -2.656 6.113 -4.494 1.00 0.00 N ATOM 414 CA LYS A 29 -2.168 7.477 -4.663 1.00 0.00 C ATOM 415 C LYS A 29 -1.799 8.155 -3.355 1.00 0.00 C ATOM 416 O LYS A 29 -0.751 8.798 -3.278 1.00 0.00 O ATOM 417 CB LYS A 29 -3.227 8.280 -5.428 1.00 0.00 C ATOM 418 CG LYS A 29 -3.460 7.675 -6.820 1.00 0.00 C ATOM 419 CD LYS A 29 -4.804 8.042 -7.431 1.00 0.00 C ATOM 420 CE LYS A 29 -4.739 9.448 -8.003 1.00 0.00 C ATOM 421 NZ LYS A 29 -5.961 9.741 -8.760 1.00 0.00 N ATOM 0 H LYS A 29 -3.630 6.002 -4.776 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.239 7.436 -5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.162 8.287 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.906 9.317 -5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.665 8.007 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.387 6.590 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.064 7.331 -8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.587 7.982 -6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.619 10.172 -7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.868 9.545 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.907 10.705 -9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.058 9.060 -9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.786 9.667 -8.131 1.00 0.00 H new ATOM 435 N VAL A 30 -2.627 7.999 -2.325 1.00 0.00 N ATOM 436 CA VAL A 30 -2.366 8.621 -1.040 1.00 0.00 C ATOM 437 C VAL A 30 -1.123 7.995 -0.409 1.00 0.00 C ATOM 438 O VAL A 30 -0.156 8.710 -0.130 1.00 0.00 O ATOM 439 CB VAL A 30 -3.639 8.523 -0.177 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.375 8.870 1.287 1.00 0.00 C ATOM 441 CG2 VAL A 30 -4.707 9.486 -0.725 1.00 0.00 C ATOM 0 H VAL A 30 -3.483 7.446 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.140 9.682 -1.143 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.983 7.490 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.302 8.786 1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.636 8.181 1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.998 9.890 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.607 9.416 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.326 10.507 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.945 9.218 -1.754 1.00 0.00 H new ATOM 451 N PHE A 31 -1.089 6.670 -0.228 1.00 0.00 N ATOM 452 CA PHE A 31 0.075 6.038 0.386 1.00 0.00 C ATOM 453 C PHE A 31 1.351 6.134 -0.454 1.00 0.00 C ATOM 454 O PHE A 31 2.429 5.890 0.085 1.00 0.00 O ATOM 455 CB PHE A 31 -0.231 4.602 0.834 1.00 0.00 C ATOM 456 CG PHE A 31 -0.872 4.475 2.211 1.00 0.00 C ATOM 457 CD1 PHE A 31 -0.373 5.195 3.321 1.00 0.00 C ATOM 458 CD2 PHE A 31 -1.916 3.553 2.412 1.00 0.00 C ATOM 459 CE1 PHE A 31 -0.913 5.001 4.603 1.00 0.00 C ATOM 460 CE2 PHE A 31 -2.430 3.334 3.702 1.00 0.00 C ATOM 461 CZ PHE A 31 -1.938 4.064 4.795 1.00 0.00 C ATOM 0 H PHE A 31 -1.838 6.030 -0.492 1.00 0.00 H new ATOM 0 HA PHE A 31 0.291 6.620 1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.892 4.142 0.099 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.698 4.031 0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.432 5.902 3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.324 3.011 1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.539 5.573 5.440 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.208 2.600 3.853 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.348 3.904 5.781 1.00 0.00 H new ATOM 471 N LYS A 32 1.281 6.523 -1.732 1.00 0.00 N ATOM 472 CA LYS A 32 2.465 6.668 -2.579 1.00 0.00 C ATOM 473 C LYS A 32 3.455 7.647 -1.945 1.00 0.00 C ATOM 474 O LYS A 32 4.664 7.449 -2.051 1.00 0.00 O ATOM 475 CB LYS A 32 2.026 7.138 -3.968 1.00 0.00 C ATOM 476 CG LYS A 32 3.165 7.026 -4.977 1.00 0.00 C ATOM 477 CD LYS A 32 2.665 7.456 -6.352 1.00 0.00 C ATOM 478 CE LYS A 32 3.822 7.370 -7.341 1.00 0.00 C ATOM 479 NZ LYS A 32 3.486 8.001 -8.628 1.00 0.00 N ATOM 0 H LYS A 32 0.405 6.745 -2.205 1.00 0.00 H new ATOM 0 HA LYS A 32 2.973 5.709 -2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.179 6.541 -4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.686 8.172 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.002 7.653 -4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.533 6.001 -5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.845 6.814 -6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.277 8.474 -6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.701 7.855 -6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.083 6.325 -7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.297 7.923 -9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.663 7.522 -9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.261 9.005 -8.474 1.00 0.00 H new ATOM 493 N GLN A 33 2.940 8.684 -1.274 1.00 0.00 N ATOM 494 CA GLN A 33 3.753 9.689 -0.607 1.00 0.00 C ATOM 495 C GLN A 33 4.680 8.996 0.395 1.00 0.00 C ATOM 496 O GLN A 33 5.898 9.155 0.323 1.00 0.00 O ATOM 497 CB GLN A 33 2.855 10.711 0.110 1.00 0.00 C ATOM 498 CG GLN A 33 1.926 11.491 -0.826 1.00 0.00 C ATOM 499 CD GLN A 33 1.167 12.563 -0.050 1.00 0.00 C ATOM 500 OE1 GLN A 33 0.017 12.395 0.348 1.00 0.00 O ATOM 501 NE2 GLN A 33 1.795 13.687 0.243 1.00 0.00 N ATOM 0 H GLN A 33 1.937 8.844 -1.182 1.00 0.00 H new ATOM 0 HA GLN A 33 4.352 10.223 -1.345 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.251 10.190 0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.486 11.417 0.650 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.508 11.954 -1.623 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.221 10.809 -1.300 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.750 13.837 -0.082 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.325 14.405 0.795 1.00 0.00 H new ATOM 510 N TYR A 34 4.082 8.221 1.304 1.00 0.00 N ATOM 511 CA TYR A 34 4.739 7.464 2.359 1.00 0.00 C ATOM 512 C TYR A 34 5.673 6.402 1.786 1.00 0.00 C ATOM 513 O TYR A 34 6.771 6.248 2.299 1.00 0.00 O ATOM 514 CB TYR A 34 3.663 6.902 3.311 1.00 0.00 C ATOM 515 CG TYR A 34 3.768 5.460 3.788 1.00 0.00 C ATOM 516 CD1 TYR A 34 4.576 5.115 4.890 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.940 4.483 3.206 1.00 0.00 C ATOM 518 CE1 TYR A 34 4.517 3.818 5.437 1.00 0.00 C ATOM 519 CE2 TYR A 34 2.852 3.197 3.762 1.00 0.00 C ATOM 520 CZ TYR A 34 3.631 2.861 4.890 1.00 0.00 C ATOM 521 OH TYR A 34 3.507 1.629 5.451 1.00 0.00 O ATOM 0 H TYR A 34 3.069 8.102 1.319 1.00 0.00 H new ATOM 0 HA TYR A 34 5.388 8.117 2.943 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.644 7.539 4.195 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.698 7.014 2.817 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.244 5.848 5.317 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.367 4.725 2.323 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.148 3.555 6.273 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.188 2.465 3.327 1.00 0.00 H new ATOM 0 HH TYR A 34 2.578 1.488 5.729 1.00 0.00 H new ATOM 531 N ALA A 35 5.291 5.711 0.701 1.00 0.00 N ATOM 532 CA ALA A 35 6.144 4.681 0.118 1.00 0.00 C ATOM 533 C ALA A 35 7.496 5.260 -0.311 1.00 0.00 C ATOM 534 O ALA A 35 8.542 4.805 0.170 1.00 0.00 O ATOM 535 CB ALA A 35 5.421 4.013 -1.059 1.00 0.00 C ATOM 0 H ALA A 35 4.403 5.850 0.218 1.00 0.00 H new ATOM 0 HA ALA A 35 6.347 3.923 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.062 3.245 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.496 3.557 -0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.191 4.762 -1.817 1.00 0.00 H new ATOM 541 N ASN A 36 7.490 6.310 -1.140 1.00 0.00 N ATOM 542 CA ASN A 36 8.747 6.907 -1.593 1.00 0.00 C ATOM 543 C ASN A 36 9.478 7.619 -0.458 1.00 0.00 C ATOM 544 O ASN A 36 10.708 7.608 -0.402 1.00 0.00 O ATOM 545 CB ASN A 36 8.529 7.899 -2.739 1.00 0.00 C ATOM 546 CG ASN A 36 9.885 8.366 -3.262 1.00 0.00 C ATOM 547 OD1 ASN A 36 10.667 7.565 -3.764 1.00 0.00 O ATOM 548 ND2 ASN A 36 10.226 9.638 -3.159 1.00 0.00 N ATOM 0 H ASN A 36 6.647 6.755 -1.503 1.00 0.00 H new ATOM 0 HA ASN A 36 9.359 6.079 -1.950 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.959 7.428 -3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.946 8.752 -2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.136 9.951 -3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.579 10.307 -2.742 1.00 0.00 H new ATOM 555 N ASP A 37 8.739 8.261 0.447 1.00 0.00 N ATOM 556 CA ASP A 37 9.323 8.984 1.575 1.00 0.00 C ATOM 557 C ASP A 37 9.961 8.047 2.605 1.00 0.00 C ATOM 558 O ASP A 37 10.814 8.479 3.380 1.00 0.00 O ATOM 559 CB ASP A 37 8.260 9.862 2.225 1.00 0.00 C ATOM 560 CG ASP A 37 8.858 10.762 3.300 1.00 0.00 C ATOM 561 OD1 ASP A 37 9.741 11.585 2.979 1.00 0.00 O ATOM 562 OD2 ASP A 37 8.361 10.707 4.449 1.00 0.00 O ATOM 0 H ASP A 37 7.720 8.294 0.418 1.00 0.00 H new ATOM 0 HA ASP A 37 10.127 9.611 1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.777 10.475 1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.486 9.233 2.665 1.00 0.00 H new ATOM 567 N ASN A 38 9.586 6.764 2.598 1.00 0.00 N ATOM 568 CA ASN A 38 10.120 5.749 3.500 1.00 0.00 C ATOM 569 C ASN A 38 11.240 4.952 2.815 1.00 0.00 C ATOM 570 O ASN A 38 11.977 4.236 3.486 1.00 0.00 O ATOM 571 CB ASN A 38 8.979 4.859 4.019 1.00 0.00 C ATOM 572 CG ASN A 38 9.345 4.065 5.270 1.00 0.00 C ATOM 573 OD1 ASN A 38 10.281 4.382 5.997 1.00 0.00 O ATOM 574 ND2 ASN A 38 8.579 3.027 5.572 1.00 0.00 N ATOM 0 H ASN A 38 8.888 6.399 1.950 1.00 0.00 H new ATOM 0 HA ASN A 38 10.572 6.229 4.368 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.112 5.483 4.236 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.684 4.165 3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.765 2.484 6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.803 2.771 4.961 1.00 0.00 H new ATOM 581 N GLY A 39 11.423 5.080 1.494 1.00 0.00 N ATOM 582 CA GLY A 39 12.474 4.381 0.751 1.00 0.00 C ATOM 583 C GLY A 39 12.048 3.035 0.174 1.00 0.00 C ATOM 584 O GLY A 39 12.865 2.113 0.098 1.00 0.00 O ATOM 0 H GLY A 39 10.839 5.677 0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.813 5.021 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.327 4.226 1.411 1.00 0.00 H new ATOM 588 N VAL A 40 10.777 2.884 -0.201 1.00 0.00 N ATOM 589 CA VAL A 40 10.279 1.647 -0.783 1.00 0.00 C ATOM 590 C VAL A 40 9.598 1.985 -2.102 1.00 0.00 C ATOM 591 O VAL A 40 9.014 3.059 -2.293 1.00 0.00 O ATOM 592 CB VAL A 40 9.362 0.890 0.201 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.921 -0.478 -0.355 1.00 0.00 C ATOM 594 CG2 VAL A 40 10.059 0.627 1.542 1.00 0.00 C ATOM 0 H VAL A 40 10.071 3.614 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 40 11.102 0.962 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 40 8.496 1.536 0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.277 -0.975 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.374 -0.333 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.800 -1.095 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.380 0.092 2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.953 0.025 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.340 1.576 1.998 1.00 0.00 H new ATOM 604 N ASP A 41 9.736 1.066 -3.044 1.00 0.00 N ATOM 605 CA ASP A 41 9.174 1.108 -4.378 1.00 0.00 C ATOM 606 C ASP A 41 8.894 -0.340 -4.758 1.00 0.00 C ATOM 607 O ASP A 41 9.386 -1.236 -4.061 1.00 0.00 O ATOM 608 CB ASP A 41 10.153 1.781 -5.350 1.00 0.00 C ATOM 609 CG ASP A 41 9.424 2.454 -6.509 1.00 0.00 C ATOM 610 OD1 ASP A 41 8.298 2.942 -6.280 1.00 0.00 O ATOM 611 OD2 ASP A 41 10.047 2.668 -7.572 1.00 0.00 O ATOM 0 H ASP A 41 10.279 0.218 -2.884 1.00 0.00 H new ATOM 0 HA ASP A 41 8.258 1.697 -4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.746 2.522 -4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.848 1.037 -5.740 1.00 0.00 H new ATOM 616 N GLY A 42 8.136 -0.602 -5.821 1.00 0.00 N ATOM 617 CA GLY A 42 7.848 -1.974 -6.198 1.00 0.00 C ATOM 618 C GLY A 42 6.594 -2.078 -7.042 1.00 0.00 C ATOM 619 O GLY A 42 6.180 -1.122 -7.703 1.00 0.00 O ATOM 0 H GLY A 42 7.719 0.107 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.693 -2.383 -6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.732 -2.580 -5.300 1.00 0.00 H new ATOM 623 N GLU A 43 6.023 -3.273 -7.051 1.00 0.00 N ATOM 624 CA GLU A 43 4.828 -3.646 -7.768 1.00 0.00 C ATOM 625 C GLU A 43 3.627 -3.565 -6.821 1.00 0.00 C ATOM 626 O GLU A 43 3.456 -4.382 -5.909 1.00 0.00 O ATOM 627 CB GLU A 43 5.032 -5.042 -8.358 1.00 0.00 C ATOM 628 CG GLU A 43 3.847 -5.380 -9.259 1.00 0.00 C ATOM 629 CD GLU A 43 4.058 -6.687 -10.013 1.00 0.00 C ATOM 630 OE1 GLU A 43 4.353 -7.717 -9.364 1.00 0.00 O ATOM 631 OE2 GLU A 43 3.914 -6.650 -11.255 1.00 0.00 O ATOM 0 H GLU A 43 6.412 -4.053 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 43 4.627 -2.965 -8.595 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.960 -5.078 -8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.120 -5.779 -7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.942 -5.451 -8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.692 -4.571 -9.973 1.00 0.00 H new ATOM 638 N TRP A 44 2.819 -2.528 -7.015 1.00 0.00 N ATOM 639 CA TRP A 44 1.622 -2.268 -6.243 1.00 0.00 C ATOM 640 C TRP A 44 0.516 -3.198 -6.739 1.00 0.00 C ATOM 641 O TRP A 44 0.066 -3.046 -7.881 1.00 0.00 O ATOM 642 CB TRP A 44 1.206 -0.803 -6.452 1.00 0.00 C ATOM 643 CG TRP A 44 2.121 0.246 -5.901 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.369 0.531 -6.340 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.862 1.174 -4.805 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.891 1.564 -5.595 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.028 1.967 -4.603 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.761 1.424 -3.956 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.111 2.939 -3.599 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.836 2.393 -2.938 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.015 3.131 -2.743 1.00 0.00 C ATOM 0 H TRP A 44 2.989 -1.828 -7.737 1.00 0.00 H new ATOM 0 HA TRP A 44 1.801 -2.444 -5.182 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.098 -0.630 -7.523 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.221 -0.663 -6.006 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.876 0.026 -7.149 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.808 1.980 -5.759 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.152 0.863 -4.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.006 3.533 -3.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.019 2.570 -2.302 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.078 3.845 -1.935 1.00 0.00 H new ATOM 662 N THR A 45 0.051 -4.140 -5.918 1.00 0.00 N ATOM 663 CA THR A 45 -1.026 -5.055 -6.297 1.00 0.00 C ATOM 664 C THR A 45 -1.996 -5.136 -5.115 1.00 0.00 C ATOM 665 O THR A 45 -1.574 -5.420 -3.987 1.00 0.00 O ATOM 666 CB THR A 45 -0.468 -6.423 -6.735 1.00 0.00 C ATOM 667 OG1 THR A 45 0.638 -6.267 -7.598 1.00 0.00 O ATOM 668 CG2 THR A 45 -1.518 -7.261 -7.468 1.00 0.00 C ATOM 0 H THR A 45 0.409 -4.290 -4.975 1.00 0.00 H new ATOM 0 HA THR A 45 -1.568 -4.687 -7.168 1.00 0.00 H new ATOM 0 HB THR A 45 -0.168 -6.934 -5.820 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.975 -7.149 -7.861 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.082 -8.217 -7.759 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.369 -7.435 -6.809 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.852 -6.728 -8.359 1.00 0.00 H new ATOM 676 N TYR A 46 -3.265 -4.786 -5.335 1.00 0.00 N ATOM 677 CA TYR A 46 -4.310 -4.819 -4.319 1.00 0.00 C ATOM 678 C TYR A 46 -5.037 -6.163 -4.404 1.00 0.00 C ATOM 679 O TYR A 46 -5.124 -6.765 -5.475 1.00 0.00 O ATOM 680 CB TYR A 46 -5.265 -3.620 -4.447 1.00 0.00 C ATOM 681 CG TYR A 46 -6.152 -3.631 -5.674 1.00 0.00 C ATOM 682 CD1 TYR A 46 -7.361 -4.351 -5.646 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.744 -2.978 -6.855 1.00 0.00 C ATOM 684 CE1 TYR A 46 -8.120 -4.487 -6.817 1.00 0.00 C ATOM 685 CE2 TYR A 46 -6.506 -3.112 -8.030 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.673 -3.909 -8.026 1.00 0.00 C ATOM 687 OH TYR A 46 -8.345 -4.157 -9.183 1.00 0.00 O ATOM 0 H TYR A 46 -3.598 -4.466 -6.244 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.861 -4.729 -3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.898 -3.584 -3.561 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.674 -2.704 -4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.703 -4.798 -4.724 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.848 -2.376 -6.858 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.050 -5.036 -6.795 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.200 -2.606 -8.934 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.909 -3.684 -9.922 1.00 0.00 H new ATOM 697 N ASP A 47 -5.534 -6.638 -3.267 1.00 0.00 N ATOM 698 CA ASP A 47 -6.265 -7.886 -3.106 1.00 0.00 C ATOM 699 C ASP A 47 -7.599 -7.522 -2.465 1.00 0.00 C ATOM 700 O ASP A 47 -7.647 -7.151 -1.293 1.00 0.00 O ATOM 701 CB ASP A 47 -5.429 -8.828 -2.233 1.00 0.00 C ATOM 702 CG ASP A 47 -6.109 -10.157 -1.906 1.00 0.00 C ATOM 703 OD1 ASP A 47 -7.354 -10.265 -1.902 1.00 0.00 O ATOM 704 OD2 ASP A 47 -5.364 -11.098 -1.558 1.00 0.00 O ATOM 0 H ASP A 47 -5.431 -6.134 -2.386 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.450 -8.402 -4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.486 -9.032 -2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.186 -8.319 -1.300 1.00 0.00 H new ATOM 709 N ASP A 48 -8.686 -7.562 -3.234 1.00 0.00 N ATOM 710 CA ASP A 48 -10.026 -7.224 -2.758 1.00 0.00 C ATOM 711 C ASP A 48 -10.629 -8.194 -1.728 1.00 0.00 C ATOM 712 O ASP A 48 -11.600 -7.806 -1.066 1.00 0.00 O ATOM 713 CB ASP A 48 -11.000 -7.073 -3.937 1.00 0.00 C ATOM 714 CG ASP A 48 -11.645 -8.402 -4.343 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.970 -9.257 -4.949 1.00 0.00 O ATOM 716 OD2 ASP A 48 -12.857 -8.594 -4.053 1.00 0.00 O ATOM 0 H ASP A 48 -8.660 -7.833 -4.217 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.891 -6.278 -2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.781 -6.361 -3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.468 -6.656 -4.792 1.00 0.00 H new ATOM 721 N ALA A 49 -10.107 -9.419 -1.595 1.00 0.00 N ATOM 722 CA ALA A 49 -10.607 -10.426 -0.657 1.00 0.00 C ATOM 723 C ALA A 49 -9.864 -10.339 0.674 1.00 0.00 C ATOM 724 O ALA A 49 -10.465 -10.217 1.744 1.00 0.00 O ATOM 725 CB ALA A 49 -10.466 -11.818 -1.277 1.00 0.00 C ATOM 0 H ALA A 49 -9.312 -9.742 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.662 -10.237 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.838 -12.567 -0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.043 -11.865 -2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.416 -12.015 -1.494 1.00 0.00 H new ATOM 731 N THR A 50 -8.533 -10.332 0.611 1.00 0.00 N ATOM 732 CA THR A 50 -7.681 -10.236 1.789 1.00 0.00 C ATOM 733 C THR A 50 -7.644 -8.764 2.243 1.00 0.00 C ATOM 734 O THR A 50 -7.331 -8.482 3.400 1.00 0.00 O ATOM 735 CB THR A 50 -6.286 -10.805 1.463 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.424 -11.997 0.711 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.475 -11.147 2.714 1.00 0.00 C ATOM 0 H THR A 50 -8.015 -10.393 -0.266 1.00 0.00 H new ATOM 0 HA THR A 50 -8.073 -10.829 2.615 1.00 0.00 H new ATOM 0 HB THR A 50 -5.760 -10.029 0.907 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.896 -11.928 -0.112 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.503 -11.543 2.420 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.334 -10.248 3.314 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.009 -11.894 3.301 1.00 0.00 H new ATOM 745 N LYS A 51 -8.115 -7.834 1.403 1.00 0.00 N ATOM 746 CA LYS A 51 -8.202 -6.389 1.636 1.00 0.00 C ATOM 747 C LYS A 51 -6.859 -5.807 2.071 1.00 0.00 C ATOM 748 O LYS A 51 -6.760 -4.954 2.958 1.00 0.00 O ATOM 749 CB LYS A 51 -9.415 -6.076 2.523 1.00 0.00 C ATOM 750 CG LYS A 51 -10.695 -6.592 1.842 1.00 0.00 C ATOM 751 CD LYS A 51 -11.949 -6.359 2.674 1.00 0.00 C ATOM 752 CE LYS A 51 -13.137 -7.002 1.948 1.00 0.00 C ATOM 753 NZ LYS A 51 -14.408 -6.683 2.624 1.00 0.00 N ATOM 0 H LYS A 51 -8.469 -8.089 0.481 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.399 -5.859 0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.296 -6.545 3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.488 -5.002 2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.810 -6.099 0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.590 -7.659 1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.831 -6.793 3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.121 -5.291 2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.171 -6.649 0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.003 -8.083 1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.195 -7.130 2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.382 -7.041 3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.545 -5.652 2.637 1.00 0.00 H new ATOM 767 N THR A 52 -5.816 -6.292 1.410 1.00 0.00 N ATOM 768 CA THR A 52 -4.440 -5.901 1.606 1.00 0.00 C ATOM 769 C THR A 52 -3.963 -5.284 0.292 1.00 0.00 C ATOM 770 O THR A 52 -4.498 -5.556 -0.787 1.00 0.00 O ATOM 771 CB THR A 52 -3.600 -7.121 2.023 1.00 0.00 C ATOM 772 OG1 THR A 52 -3.863 -8.237 1.195 1.00 0.00 O ATOM 773 CG2 THR A 52 -3.857 -7.559 3.467 1.00 0.00 C ATOM 0 H THR A 52 -5.920 -7.005 0.688 1.00 0.00 H new ATOM 0 HA THR A 52 -4.335 -5.171 2.408 1.00 0.00 H new ATOM 0 HB THR A 52 -2.564 -6.796 1.923 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.313 -8.995 1.484 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.235 -8.423 3.701 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.611 -6.741 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.907 -7.825 3.585 1.00 0.00 H new ATOM 781 N PHE A 53 -2.972 -4.411 0.379 1.00 0.00 N ATOM 782 CA PHE A 53 -2.373 -3.738 -0.745 1.00 0.00 C ATOM 783 C PHE A 53 -0.886 -3.849 -0.449 1.00 0.00 C ATOM 784 O PHE A 53 -0.349 -3.150 0.411 1.00 0.00 O ATOM 785 CB PHE A 53 -2.926 -2.309 -0.840 1.00 0.00 C ATOM 786 CG PHE A 53 -2.875 -1.658 -2.211 1.00 0.00 C ATOM 787 CD1 PHE A 53 -1.966 -2.076 -3.206 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.816 -0.656 -2.514 1.00 0.00 C ATOM 789 CE1 PHE A 53 -2.036 -1.526 -4.496 1.00 0.00 C ATOM 790 CE2 PHE A 53 -3.859 -0.088 -3.797 1.00 0.00 C ATOM 791 CZ PHE A 53 -2.977 -0.530 -4.795 1.00 0.00 C ATOM 0 H PHE A 53 -2.553 -4.147 1.271 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.590 -4.158 -1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.963 -2.320 -0.505 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.373 -1.681 -0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.217 -2.819 -2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.509 -0.322 -1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.360 -1.873 -5.264 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.573 0.692 -4.017 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.023 -0.106 -5.787 1.00 0.00 H new ATOM 801 N THR A 54 -0.225 -4.779 -1.123 1.00 0.00 N ATOM 802 CA THR A 54 1.194 -5.016 -0.929 1.00 0.00 C ATOM 803 C THR A 54 1.980 -4.292 -2.012 1.00 0.00 C ATOM 804 O THR A 54 1.570 -4.272 -3.179 1.00 0.00 O ATOM 805 CB THR A 54 1.535 -6.525 -0.908 1.00 0.00 C ATOM 806 OG1 THR A 54 0.384 -7.347 -0.790 1.00 0.00 O ATOM 807 CG2 THR A 54 2.473 -6.881 0.247 1.00 0.00 C ATOM 0 H THR A 54 -0.658 -5.388 -1.817 1.00 0.00 H new ATOM 0 HA THR A 54 1.476 -4.622 0.047 1.00 0.00 H new ATOM 0 HB THR A 54 2.021 -6.715 -1.865 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.654 -8.289 -0.783 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.687 -7.950 0.226 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.403 -6.322 0.146 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.998 -6.625 1.194 1.00 0.00 H new ATOM 815 N VAL A 55 3.059 -3.643 -1.592 1.00 0.00 N ATOM 816 CA VAL A 55 3.988 -2.946 -2.455 1.00 0.00 C ATOM 817 C VAL A 55 5.192 -3.844 -2.200 1.00 0.00 C ATOM 818 O VAL A 55 5.878 -3.698 -1.187 1.00 0.00 O ATOM 819 CB VAL A 55 4.157 -1.472 -2.037 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.113 -0.750 -2.999 1.00 0.00 C ATOM 821 CG2 VAL A 55 2.799 -0.755 -2.029 1.00 0.00 C ATOM 0 H VAL A 55 3.315 -3.589 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 55 3.726 -2.829 -3.507 1.00 0.00 H new ATOM 0 HB VAL A 55 4.576 -1.450 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.222 0.290 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.087 -1.239 -2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.709 -0.788 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.938 0.284 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.362 -0.791 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.131 -1.248 -1.323 1.00 0.00 H new ATOM 831 N THR A 56 5.381 -4.821 -3.080 1.00 0.00 N ATOM 832 CA THR A 56 6.444 -5.807 -3.003 1.00 0.00 C ATOM 833 C THR A 56 7.396 -5.586 -4.168 1.00 0.00 C ATOM 834 O THR A 56 6.974 -5.203 -5.257 1.00 0.00 O ATOM 835 CB THR A 56 5.790 -7.205 -3.003 1.00 0.00 C ATOM 836 OG1 THR A 56 5.175 -7.447 -1.746 1.00 0.00 O ATOM 837 CG2 THR A 56 6.762 -8.358 -3.272 1.00 0.00 C ATOM 0 H THR A 56 4.777 -4.950 -3.892 1.00 0.00 H new ATOM 0 HA THR A 56 7.034 -5.716 -2.091 1.00 0.00 H new ATOM 0 HB THR A 56 5.069 -7.185 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.760 -8.335 -1.750 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.219 -9.303 -3.254 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.224 -8.224 -4.250 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.535 -8.369 -2.504 1.00 0.00 H new ATOM 845 N GLU A 57 8.681 -5.833 -3.943 1.00 0.00 N ATOM 846 CA GLU A 57 9.728 -5.691 -4.931 1.00 0.00 C ATOM 847 C GLU A 57 10.670 -6.855 -4.731 1.00 0.00 C ATOM 848 O GLU A 57 10.987 -7.206 -3.569 1.00 0.00 O ATOM 849 CB GLU A 57 10.400 -4.327 -4.755 1.00 0.00 C ATOM 850 CG GLU A 57 11.483 -4.039 -5.808 1.00 0.00 C ATOM 851 CD GLU A 57 12.838 -3.819 -5.143 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.077 -2.697 -4.645 1.00 0.00 O ATOM 853 OE2 GLU A 57 13.621 -4.800 -5.033 1.00 0.00 O ATOM 0 H GLU A 57 9.027 -6.147 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 57 9.355 -5.716 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.640 -3.547 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.847 -4.276 -3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.547 -4.872 -6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.209 -3.157 -6.387 1.00 0.00 H new TER 860 GLU A 57