USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, 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 16 THR OG1 : rot 161:sc= 0.656 USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= 0.113 USER MOD Set 2.1: A 1 MET CE :methyl -155:sc= -8.05! (180deg=-11.9!) USER MOD Set 2.2: A 3 TYR OH : rot -149:sc= -2.29 USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.398 (180deg=0.358) USER MOD Single : A 2 GLN : amide:sc= -1.69 X(o=-1.7,f=-1.4) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -2.6! C(o=-2.6!,f=-7.7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -8.62! (180deg=-9.39!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 170:sc= 0 USER MOD Single : A 25 THR OG1 : rot 70:sc= -1.2 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -143:sc= -0.0884 (180deg=-0.0922) USER MOD Single : A 32 GLN : amide:sc= -0.726 K(o=-0.73,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 37 ASN : amide:sc= -2.97! C(o=-3!,f=-5.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0521 USER MOD Single : A 45 TYR OH : rot 56:sc= -0.0647 USER MOD Single : A 49 THR OG1 : rot -133:sc= -1.91! USER MOD Single : A 50 LYS NZ :NH3+ -161:sc= 1.28 (180deg=1.15) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -3.46! USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.603 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.408 27.849 26.262 1.00 1.00 N ATOM 2 CA MET A 1 0.347 27.982 24.984 1.00 1.00 C ATOM 3 C MET A 1 -0.187 26.949 23.983 1.00 1.00 C ATOM 4 O MET A 1 -0.566 25.846 24.372 1.00 1.00 O ATOM 5 CB MET A 1 1.847 27.771 25.283 1.00 1.00 C ATOM 6 CG MET A 1 2.690 28.776 24.492 1.00 1.00 C ATOM 7 SD MET A 1 2.270 28.646 22.737 1.00 1.00 S ATOM 8 CE MET A 1 2.821 26.942 22.515 1.00 1.00 C ATOM 0 H1 MET A 1 -0.163 28.638 26.893 1.00 1.00 H new ATOM 0 H2 MET A 1 -1.429 27.866 26.065 1.00 1.00 H new ATOM 0 H3 MET A 1 -0.159 26.949 26.720 1.00 1.00 H new ATOM 0 HA MET A 1 0.218 28.971 24.545 1.00 1.00 H new ATOM 0 HB2 MET A 1 2.033 27.890 26.350 1.00 1.00 H new ATOM 0 HB3 MET A 1 2.138 26.754 25.020 1.00 1.00 H new ATOM 0 HG2 MET A 1 2.503 29.788 24.850 1.00 1.00 H new ATOM 0 HG3 MET A 1 3.751 28.577 24.641 1.00 1.00 H new ATOM 0 HE1 MET A 1 3.078 26.776 21.469 1.00 1.00 H new ATOM 0 HE2 MET A 1 3.697 26.759 23.137 1.00 1.00 H new ATOM 0 HE3 MET A 1 2.021 26.260 22.805 1.00 1.00 H new ATOM 20 N GLN A 2 -0.257 27.327 22.706 1.00 1.00 N ATOM 21 CA GLN A 2 -0.816 26.434 21.682 1.00 1.00 C ATOM 22 C GLN A 2 0.251 25.788 20.797 1.00 1.00 C ATOM 23 O GLN A 2 1.131 26.455 20.255 1.00 1.00 O ATOM 24 CB GLN A 2 -1.773 27.231 20.797 1.00 1.00 C ATOM 25 CG GLN A 2 -2.625 26.268 19.972 1.00 1.00 C ATOM 26 CD GLN A 2 -3.620 25.535 20.875 1.00 1.00 C ATOM 27 OE1 GLN A 2 -4.221 26.146 21.757 1.00 1.00 O ATOM 28 NE2 GLN A 2 -3.824 24.252 20.714 1.00 1.00 N ATOM 0 H GLN A 2 0.060 28.231 22.356 1.00 1.00 H new ATOM 0 HA GLN A 2 -1.330 25.629 22.207 1.00 1.00 H new ATOM 0 HB2 GLN A 2 -2.413 27.864 21.412 1.00 1.00 H new ATOM 0 HB3 GLN A 2 -1.210 27.892 20.138 1.00 1.00 H new ATOM 0 HG2 GLN A 2 -3.161 26.817 19.198 1.00 1.00 H new ATOM 0 HG3 GLN A 2 -1.984 25.547 19.465 1.00 1.00 H new ATOM 0 HE21 GLN A 2 -3.326 23.744 19.983 1.00 1.00 H new ATOM 0 HE22 GLN A 2 -4.481 23.760 21.320 1.00 1.00 H new ATOM 37 N TYR A 3 0.120 24.464 20.645 1.00 1.00 N ATOM 38 CA TYR A 3 1.022 23.666 19.809 1.00 1.00 C ATOM 39 C TYR A 3 0.239 23.003 18.692 1.00 1.00 C ATOM 40 O TYR A 3 -0.979 22.845 18.787 1.00 1.00 O ATOM 41 CB TYR A 3 1.696 22.586 20.637 1.00 1.00 C ATOM 42 CG TYR A 3 2.271 23.217 21.852 1.00 1.00 C ATOM 43 CD1 TYR A 3 1.448 23.419 22.960 1.00 1.00 C ATOM 44 CD2 TYR A 3 3.608 23.623 21.877 1.00 1.00 C ATOM 45 CE1 TYR A 3 1.959 24.018 24.096 1.00 1.00 C ATOM 46 CE2 TYR A 3 4.118 24.227 23.021 1.00 1.00 C ATOM 47 CZ TYR A 3 3.289 24.422 24.127 1.00 1.00 C ATOM 48 OH TYR A 3 3.781 25.029 25.254 1.00 1.00 O ATOM 0 H TYR A 3 -0.613 23.918 21.098 1.00 1.00 H new ATOM 0 HA TYR A 3 1.779 24.331 19.392 1.00 1.00 H new ATOM 0 HB2 TYR A 3 0.976 21.816 20.914 1.00 1.00 H new ATOM 0 HB3 TYR A 3 2.479 22.097 20.057 1.00 1.00 H new ATOM 0 HD1 TYR A 3 0.414 23.108 22.930 1.00 1.00 H new ATOM 0 HD2 TYR A 3 4.240 23.469 21.015 1.00 1.00 H new ATOM 0 HE1 TYR A 3 1.326 24.172 24.958 1.00 1.00 H new ATOM 0 HE2 TYR A 3 5.150 24.544 23.054 1.00 1.00 H new ATOM 0 HH TYR A 3 4.487 25.660 25.004 1.00 1.00 H new ATOM 58 N LYS A 4 0.936 22.597 17.635 1.00 1.00 N ATOM 59 CA LYS A 4 0.282 21.931 16.500 1.00 1.00 C ATOM 60 C LYS A 4 1.072 20.683 16.116 1.00 1.00 C ATOM 61 O LYS A 4 2.291 20.655 16.217 1.00 1.00 O ATOM 62 CB LYS A 4 0.217 22.906 15.314 1.00 1.00 C ATOM 63 CG LYS A 4 -0.562 22.307 14.134 1.00 1.00 C ATOM 64 CD LYS A 4 -0.636 23.362 13.020 1.00 1.00 C ATOM 65 CE LYS A 4 -1.417 22.807 11.830 1.00 1.00 C ATOM 66 NZ LYS A 4 -1.472 23.833 10.748 1.00 1.00 N ATOM 0 H LYS A 4 1.944 22.713 17.535 1.00 1.00 H new ATOM 0 HA LYS A 4 -0.730 21.634 16.776 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -0.258 23.835 15.631 1.00 1.00 H new ATOM 0 HB3 LYS A 4 1.228 23.158 14.993 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -0.068 21.406 13.771 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -1.564 22.016 14.449 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -1.119 24.265 13.394 1.00 1.00 H new ATOM 0 HD3 LYS A 4 0.369 23.644 12.707 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -0.941 21.899 11.461 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -2.426 22.535 12.139 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -2.004 23.455 9.938 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -1.945 24.688 11.104 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -0.506 24.072 10.447 1.00 1.00 H new ATOM 80 N LEU A 5 0.360 19.645 15.693 1.00 1.00 N ATOM 81 CA LEU A 5 0.988 18.383 15.310 1.00 1.00 C ATOM 82 C LEU A 5 0.803 18.146 13.811 1.00 1.00 C ATOM 83 O LEU A 5 -0.313 18.224 13.306 1.00 1.00 O ATOM 84 CB LEU A 5 0.298 17.233 16.068 1.00 1.00 C ATOM 85 CG LEU A 5 1.190 15.964 16.216 1.00 1.00 C ATOM 86 CD1 LEU A 5 0.287 14.744 16.461 1.00 1.00 C ATOM 87 CD2 LEU A 5 2.052 15.679 14.968 1.00 1.00 C ATOM 0 H LEU A 5 -0.656 19.651 15.606 1.00 1.00 H new ATOM 0 HA LEU A 5 2.050 18.423 15.551 1.00 1.00 H new ATOM 0 HB2 LEU A 5 0.010 17.583 17.059 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -0.620 16.963 15.546 1.00 1.00 H new ATOM 0 HG LEU A 5 1.865 16.148 17.052 1.00 1.00 H new ATOM 0 HD11 LEU A 5 0.903 13.851 16.566 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -0.290 14.896 17.373 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.393 14.619 15.618 1.00 1.00 H new ATOM 0 HD21 LEU A 5 2.649 14.783 15.135 1.00 1.00 H new ATOM 0 HD22 LEU A 5 1.404 15.527 14.105 1.00 1.00 H new ATOM 0 HD23 LEU A 5 2.712 16.526 14.781 1.00 1.00 H new ATOM 99 N ILE A 6 1.882 17.785 13.120 1.00 1.00 N ATOM 100 CA ILE A 6 1.796 17.454 11.687 1.00 1.00 C ATOM 101 C ILE A 6 1.933 15.958 11.540 1.00 1.00 C ATOM 102 O ILE A 6 2.862 15.349 12.059 1.00 1.00 O ATOM 103 CB ILE A 6 2.899 18.114 10.891 1.00 1.00 C ATOM 104 CG1 ILE A 6 2.842 19.622 11.098 1.00 1.00 C ATOM 105 CG2 ILE A 6 2.752 17.767 9.406 1.00 1.00 C ATOM 106 CD1 ILE A 6 1.466 20.187 10.712 1.00 1.00 C ATOM 0 H ILE A 6 2.819 17.713 13.517 1.00 1.00 H new ATOM 0 HA ILE A 6 0.839 17.813 11.307 1.00 1.00 H new ATOM 0 HB ILE A 6 3.866 17.748 11.235 1.00 1.00 H new ATOM 0 HG12 ILE A 6 3.054 19.856 12.141 1.00 1.00 H new ATOM 0 HG13 ILE A 6 3.616 20.103 10.500 1.00 1.00 H new ATOM 0 HG21 ILE A 6 3.550 18.246 8.840 1.00 1.00 H new ATOM 0 HG22 ILE A 6 2.814 16.686 9.277 1.00 1.00 H new ATOM 0 HG23 ILE A 6 1.787 18.121 9.043 1.00 1.00 H new ATOM 0 HD11 ILE A 6 1.458 21.265 10.871 1.00 1.00 H new ATOM 0 HD12 ILE A 6 1.267 19.974 9.662 1.00 1.00 H new ATOM 0 HD13 ILE A 6 0.696 19.723 11.329 1.00 1.00 H new ATOM 118 N LEU A 7 0.976 15.358 10.875 1.00 1.00 N ATOM 119 CA LEU A 7 0.960 13.927 10.710 1.00 1.00 C ATOM 120 C LEU A 7 1.310 13.461 9.317 1.00 1.00 C ATOM 121 O LEU A 7 0.608 13.761 8.351 1.00 1.00 O ATOM 122 CB LEU A 7 -0.448 13.469 11.044 1.00 1.00 C ATOM 123 CG LEU A 7 -0.730 13.821 12.510 1.00 1.00 C ATOM 124 CD1 LEU A 7 -2.252 13.881 12.774 1.00 1.00 C ATOM 125 CD2 LEU A 7 -0.026 12.793 13.432 1.00 1.00 C ATOM 0 H LEU A 7 0.193 15.844 10.437 1.00 1.00 H new ATOM 0 HA LEU A 7 1.721 13.501 11.364 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -1.171 13.956 10.390 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -0.546 12.395 10.885 1.00 1.00 H new ATOM 0 HG LEU A 7 -0.329 14.810 12.730 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -2.430 14.132 13.820 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -2.702 14.642 12.136 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -2.698 12.911 12.553 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -0.226 13.042 14.474 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -0.405 11.794 13.219 1.00 1.00 H new ATOM 0 HD23 LEU A 7 1.049 12.819 13.252 1.00 1.00 H new ATOM 137 N ASN A 8 2.357 12.655 9.239 1.00 1.00 N ATOM 138 CA ASN A 8 2.781 12.047 7.995 1.00 1.00 C ATOM 139 C ASN A 8 2.932 10.556 8.271 1.00 1.00 C ATOM 140 O ASN A 8 4.017 10.000 8.115 1.00 1.00 O ATOM 141 CB ASN A 8 4.123 12.633 7.558 1.00 1.00 C ATOM 142 CG ASN A 8 4.659 11.886 6.341 1.00 1.00 C ATOM 143 OD1 ASN A 8 4.095 10.872 5.930 1.00 1.00 O ATOM 144 ND2 ASN A 8 5.724 12.336 5.733 1.00 1.00 N ATOM 0 H ASN A 8 2.936 12.406 10.041 1.00 1.00 H new ATOM 0 HA ASN A 8 2.059 12.232 7.200 1.00 1.00 H new ATOM 0 HB2 ASN A 8 4.005 13.690 7.321 1.00 1.00 H new ATOM 0 HB3 ASN A 8 4.839 12.568 8.377 1.00 1.00 H new ATOM 0 HD21 ASN A 8 6.090 11.847 4.916 1.00 1.00 H new ATOM 0 HD22 ASN A 8 6.190 13.176 6.075 1.00 1.00 H new ATOM 151 N GLY A 9 1.847 9.904 8.703 1.00 1.00 N ATOM 152 CA GLY A 9 1.914 8.479 9.015 1.00 1.00 C ATOM 153 C GLY A 9 1.490 7.627 7.836 1.00 1.00 C ATOM 154 O GLY A 9 0.883 8.117 6.884 1.00 1.00 O ATOM 0 H GLY A 9 0.932 10.332 8.841 1.00 1.00 H new ATOM 0 HA2 GLY A 9 2.931 8.218 9.306 1.00 1.00 H new ATOM 0 HA3 GLY A 9 1.273 8.263 9.870 1.00 1.00 H new ATOM 158 N LYS A 10 1.823 6.346 7.905 1.00 1.00 N ATOM 159 CA LYS A 10 1.466 5.441 6.818 1.00 1.00 C ATOM 160 C LYS A 10 -0.025 5.116 6.858 1.00 1.00 C ATOM 161 O LYS A 10 -0.636 4.843 5.824 1.00 1.00 O ATOM 162 CB LYS A 10 2.305 4.160 6.897 1.00 1.00 C ATOM 163 CG LYS A 10 2.081 3.473 8.240 1.00 1.00 C ATOM 164 CD LYS A 10 3.039 2.289 8.379 1.00 1.00 C ATOM 165 CE LYS A 10 2.864 1.657 9.759 1.00 1.00 C ATOM 166 NZ LYS A 10 3.776 0.484 9.893 1.00 1.00 N ATOM 0 H LYS A 10 2.327 5.916 8.681 1.00 1.00 H new ATOM 0 HA LYS A 10 1.679 5.934 5.870 1.00 1.00 H new ATOM 0 HB2 LYS A 10 2.033 3.486 6.085 1.00 1.00 H new ATOM 0 HB3 LYS A 10 3.361 4.399 6.773 1.00 1.00 H new ATOM 0 HG2 LYS A 10 2.242 4.181 9.053 1.00 1.00 H new ATOM 0 HG3 LYS A 10 1.049 3.129 8.316 1.00 1.00 H new ATOM 0 HD2 LYS A 10 2.840 1.552 7.601 1.00 1.00 H new ATOM 0 HD3 LYS A 10 4.068 2.622 8.247 1.00 1.00 H new ATOM 0 HE2 LYS A 10 3.082 2.390 10.536 1.00 1.00 H new ATOM 0 HE3 LYS A 10 1.829 1.343 9.898 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 3.655 0.056 10.833 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 3.548 -0.218 9.161 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 4.762 0.796 9.779 1.00 1.00 H new ATOM 180 N THR A 11 -0.605 5.134 8.061 1.00 1.00 N ATOM 181 CA THR A 11 -2.031 4.835 8.233 1.00 1.00 C ATOM 182 C THR A 11 -2.808 6.073 8.681 1.00 1.00 C ATOM 183 O THR A 11 -4.030 6.129 8.540 1.00 1.00 O ATOM 184 CB THR A 11 -2.212 3.726 9.282 1.00 1.00 C ATOM 185 OG1 THR A 11 -1.643 4.151 10.513 1.00 1.00 O ATOM 186 CG2 THR A 11 -1.526 2.419 8.828 1.00 1.00 C ATOM 0 H THR A 11 -0.113 5.351 8.927 1.00 1.00 H new ATOM 0 HA THR A 11 -2.420 4.507 7.269 1.00 1.00 H new ATOM 0 HB THR A 11 -3.278 3.533 9.404 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.757 3.448 11.186 1.00 1.00 H new ATOM 0 HG21 THR A 11 -1.669 1.650 9.588 1.00 1.00 H new ATOM 0 HG22 THR A 11 -1.965 2.086 7.887 1.00 1.00 H new ATOM 0 HG23 THR A 11 -0.460 2.597 8.688 1.00 1.00 H new ATOM 194 N LEU A 12 -2.099 7.054 9.249 1.00 1.00 N ATOM 195 CA LEU A 12 -2.746 8.272 9.739 1.00 1.00 C ATOM 196 C LEU A 12 -2.010 9.526 9.267 1.00 1.00 C ATOM 197 O LEU A 12 -0.812 9.684 9.499 1.00 1.00 O ATOM 198 CB LEU A 12 -2.805 8.198 11.266 1.00 1.00 C ATOM 199 CG LEU A 12 -3.412 9.492 11.845 1.00 1.00 C ATOM 200 CD1 LEU A 12 -3.973 9.222 13.259 1.00 1.00 C ATOM 201 CD2 LEU A 12 -2.356 10.627 11.872 1.00 1.00 C ATOM 0 H LEU A 12 -1.088 7.028 9.379 1.00 1.00 H new ATOM 0 HA LEU A 12 -3.756 8.341 9.334 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -3.403 7.340 11.572 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -1.803 8.047 11.668 1.00 1.00 H new ATOM 0 HG LEU A 12 -4.231 9.817 11.203 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -4.400 10.140 13.662 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -4.746 8.456 13.203 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -3.169 8.879 13.910 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.804 11.531 12.284 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -1.513 10.325 12.493 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -2.008 10.824 10.858 1.00 1.00 H new ATOM 213 N LYS A 13 -2.755 10.421 8.614 1.00 1.00 N ATOM 214 CA LYS A 13 -2.207 11.684 8.102 1.00 1.00 C ATOM 215 C LYS A 13 -3.146 12.842 8.405 1.00 1.00 C ATOM 216 O LYS A 13 -4.345 12.652 8.603 1.00 1.00 O ATOM 217 CB LYS A 13 -1.986 11.579 6.579 1.00 1.00 C ATOM 218 CG LYS A 13 -0.549 11.103 6.273 1.00 1.00 C ATOM 219 CD LYS A 13 -0.537 10.197 5.031 1.00 1.00 C ATOM 220 CE LYS A 13 -1.331 8.896 5.294 1.00 1.00 C ATOM 221 NZ LYS A 13 -1.482 8.660 6.763 1.00 1.00 N ATOM 0 H LYS A 13 -3.749 10.294 8.425 1.00 1.00 H new ATOM 0 HA LYS A 13 -1.254 11.872 8.597 1.00 1.00 H new ATOM 0 HB2 LYS A 13 -2.706 10.883 6.148 1.00 1.00 H new ATOM 0 HB3 LYS A 13 -2.162 12.548 6.112 1.00 1.00 H new ATOM 0 HG2 LYS A 13 0.099 11.964 6.109 1.00 1.00 H new ATOM 0 HG3 LYS A 13 -0.148 10.561 7.130 1.00 1.00 H new ATOM 0 HD2 LYS A 13 -0.970 10.728 4.183 1.00 1.00 H new ATOM 0 HD3 LYS A 13 0.491 9.953 4.763 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -2.314 8.963 4.828 1.00 1.00 H new ATOM 0 HE3 LYS A 13 -0.818 8.051 4.835 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 -1.751 7.669 6.930 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 -0.580 8.859 7.241 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 -2.220 9.287 7.141 1.00 1.00 H new ATOM 235 N GLY A 14 -2.581 14.048 8.430 1.00 1.00 N ATOM 236 CA GLY A 14 -3.353 15.252 8.692 1.00 1.00 C ATOM 237 C GLY A 14 -2.641 16.130 9.711 1.00 1.00 C ATOM 238 O GLY A 14 -1.413 16.213 9.733 1.00 1.00 O ATOM 0 H GLY A 14 -1.587 14.213 8.271 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -3.500 15.806 7.765 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -4.342 14.983 9.063 1.00 1.00 H new ATOM 242 N GLU A 15 -3.425 16.808 10.551 1.00 1.00 N ATOM 243 CA GLU A 15 -2.870 17.699 11.564 1.00 1.00 C ATOM 244 C GLU A 15 -3.735 17.683 12.816 1.00 1.00 C ATOM 245 O GLU A 15 -4.915 17.331 12.763 1.00 1.00 O ATOM 246 CB GLU A 15 -2.784 19.139 11.025 1.00 1.00 C ATOM 247 CG GLU A 15 -1.701 19.254 9.923 1.00 1.00 C ATOM 248 CD GLU A 15 -2.286 18.999 8.537 1.00 1.00 C ATOM 249 OE1 GLU A 15 -3.446 18.627 8.458 1.00 1.00 O ATOM 250 OE2 GLU A 15 -1.563 19.179 7.570 1.00 1.00 O ATOM 0 H GLU A 15 -4.444 16.755 10.548 1.00 1.00 H new ATOM 0 HA GLU A 15 -1.869 17.347 11.813 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -3.751 19.439 10.622 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -2.552 19.824 11.841 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -1.253 20.247 9.953 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -0.903 18.538 10.120 1.00 1.00 H new ATOM 257 N THR A 16 -3.139 18.053 13.941 1.00 1.00 N ATOM 258 CA THR A 16 -3.851 18.070 15.224 1.00 1.00 C ATOM 259 C THR A 16 -3.335 19.228 16.089 1.00 1.00 C ATOM 260 O THR A 16 -2.179 19.621 15.972 1.00 1.00 O ATOM 261 CB THR A 16 -3.671 16.698 15.910 1.00 1.00 C ATOM 262 OG1 THR A 16 -4.759 15.859 15.557 1.00 1.00 O ATOM 263 CG2 THR A 16 -3.611 16.832 17.433 1.00 1.00 C ATOM 0 H THR A 16 -2.164 18.347 13.998 1.00 1.00 H new ATOM 0 HA THR A 16 -4.918 18.235 15.072 1.00 1.00 H new ATOM 0 HB THR A 16 -2.728 16.269 15.572 1.00 1.00 H new ATOM 0 HG1 THR A 16 -4.520 14.924 15.727 1.00 1.00 H new ATOM 0 HG21 THR A 16 -3.484 15.846 17.880 1.00 1.00 H new ATOM 0 HG22 THR A 16 -2.769 17.467 17.709 1.00 1.00 H new ATOM 0 HG23 THR A 16 -4.537 17.278 17.796 1.00 1.00 H new ATOM 271 N THR A 17 -4.202 19.782 16.951 1.00 1.00 N ATOM 272 CA THR A 17 -3.806 20.913 17.813 1.00 1.00 C ATOM 273 C THR A 17 -4.181 20.675 19.280 1.00 1.00 C ATOM 274 O THR A 17 -5.242 20.138 19.591 1.00 1.00 O ATOM 275 CB THR A 17 -4.479 22.200 17.305 1.00 1.00 C ATOM 276 OG1 THR A 17 -5.791 21.886 16.859 1.00 1.00 O ATOM 277 CG2 THR A 17 -3.684 22.795 16.140 1.00 1.00 C ATOM 0 H THR A 17 -5.167 19.474 17.071 1.00 1.00 H new ATOM 0 HA THR A 17 -2.721 21.010 17.764 1.00 1.00 H new ATOM 0 HB THR A 17 -4.515 22.928 18.116 1.00 1.00 H new ATOM 0 HG1 THR A 17 -6.230 22.700 16.535 1.00 1.00 H new ATOM 0 HG21 THR A 17 -4.174 23.705 15.792 1.00 1.00 H new ATOM 0 HG22 THR A 17 -2.673 23.031 16.472 1.00 1.00 H new ATOM 0 HG23 THR A 17 -3.638 22.073 15.324 1.00 1.00 H new ATOM 285 N THR A 18 -3.281 21.097 20.174 1.00 1.00 N ATOM 286 CA THR A 18 -3.484 20.957 21.615 1.00 1.00 C ATOM 287 C THR A 18 -2.810 22.105 22.358 1.00 1.00 C ATOM 288 O THR A 18 -1.788 22.627 21.908 1.00 1.00 O ATOM 289 CB THR A 18 -2.913 19.626 22.122 1.00 1.00 C ATOM 290 OG1 THR A 18 -3.556 19.290 23.344 1.00 1.00 O ATOM 291 CG2 THR A 18 -1.401 19.738 22.370 1.00 1.00 C ATOM 0 H THR A 18 -2.399 21.541 19.920 1.00 1.00 H new ATOM 0 HA THR A 18 -4.557 20.978 21.804 1.00 1.00 H new ATOM 0 HB THR A 18 -3.087 18.858 21.368 1.00 1.00 H new ATOM 0 HG1 THR A 18 -3.322 18.372 23.595 1.00 1.00 H new ATOM 0 HG21 THR A 18 -1.019 18.782 22.729 1.00 1.00 H new ATOM 0 HG22 THR A 18 -0.898 20.003 21.440 1.00 1.00 H new ATOM 0 HG23 THR A 18 -1.211 20.508 23.118 1.00 1.00 H new ATOM 299 N GLU A 19 -3.352 22.467 23.513 1.00 1.00 N ATOM 300 CA GLU A 19 -2.757 23.526 24.313 1.00 1.00 C ATOM 301 C GLU A 19 -2.003 22.893 25.472 1.00 1.00 C ATOM 302 O GLU A 19 -2.481 21.948 26.100 1.00 1.00 O ATOM 303 CB GLU A 19 -3.830 24.484 24.828 1.00 1.00 C ATOM 304 CG GLU A 19 -3.186 25.821 25.185 1.00 1.00 C ATOM 305 CD GLU A 19 -4.232 26.741 25.808 1.00 1.00 C ATOM 306 OE1 GLU A 19 -5.297 26.248 26.143 1.00 1.00 O ATOM 307 OE2 GLU A 19 -3.954 27.919 25.943 1.00 1.00 O ATOM 0 H GLU A 19 -4.192 22.048 23.912 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.068 24.105 23.698 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.598 24.629 24.069 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -4.322 24.060 25.703 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -2.362 25.665 25.882 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -2.765 26.284 24.292 1.00 1.00 H new ATOM 314 N ALA A 20 -0.818 23.413 25.739 1.00 1.00 N ATOM 315 CA ALA A 20 0.024 22.886 26.808 1.00 1.00 C ATOM 316 C ALA A 20 0.716 24.032 27.536 1.00 1.00 C ATOM 317 O ALA A 20 0.792 25.152 27.029 1.00 1.00 O ATOM 318 CB ALA A 20 1.062 21.909 26.223 1.00 1.00 C ATOM 0 H ALA A 20 -0.413 24.200 25.232 1.00 1.00 H new ATOM 0 HA ALA A 20 -0.597 22.346 27.523 1.00 1.00 H new ATOM 0 HB1 ALA A 20 1.688 21.519 27.026 1.00 1.00 H new ATOM 0 HB2 ALA A 20 0.548 21.084 25.730 1.00 1.00 H new ATOM 0 HB3 ALA A 20 1.686 22.432 25.498 1.00 1.00 H new ATOM 324 N VAL A 21 1.233 23.735 28.711 1.00 1.00 N ATOM 325 CA VAL A 21 1.944 24.726 29.485 1.00 1.00 C ATOM 326 C VAL A 21 3.243 25.043 28.778 1.00 1.00 C ATOM 327 O VAL A 21 3.671 26.197 28.707 1.00 1.00 O ATOM 328 CB VAL A 21 2.237 24.191 30.888 1.00 1.00 C ATOM 329 CG1 VAL A 21 2.945 22.836 30.798 1.00 1.00 C ATOM 330 CG2 VAL A 21 3.148 25.180 31.622 1.00 1.00 C ATOM 0 H VAL A 21 1.173 22.816 29.149 1.00 1.00 H new ATOM 0 HA VAL A 21 1.336 25.626 29.579 1.00 1.00 H new ATOM 0 HB VAL A 21 1.297 24.071 31.427 1.00 1.00 H new ATOM 0 HG11 VAL A 21 3.149 22.465 31.802 1.00 1.00 H new ATOM 0 HG12 VAL A 21 2.307 22.126 30.271 1.00 1.00 H new ATOM 0 HG13 VAL A 21 3.884 22.951 30.256 1.00 1.00 H new ATOM 0 HG21 VAL A 21 3.361 24.805 32.623 1.00 1.00 H new ATOM 0 HG22 VAL A 21 4.082 25.293 31.071 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.651 26.147 31.695 1.00 1.00 H new ATOM 340 N ASP A 22 3.864 23.993 28.264 1.00 1.00 N ATOM 341 CA ASP A 22 5.125 24.128 27.557 1.00 1.00 C ATOM 342 C ASP A 22 5.291 22.971 26.569 1.00 1.00 C ATOM 343 O ASP A 22 4.396 22.138 26.421 1.00 1.00 O ATOM 344 CB ASP A 22 6.278 24.109 28.565 1.00 1.00 C ATOM 345 CG ASP A 22 6.302 22.781 29.318 1.00 1.00 C ATOM 346 OD1 ASP A 22 5.615 21.865 28.894 1.00 1.00 O ATOM 347 OD2 ASP A 22 7.010 22.697 30.305 1.00 1.00 O ATOM 0 H ASP A 22 3.514 23.037 28.324 1.00 1.00 H new ATOM 0 HA ASP A 22 5.133 25.071 27.010 1.00 1.00 H new ATOM 0 HB2 ASP A 22 7.225 24.258 28.047 1.00 1.00 H new ATOM 0 HB3 ASP A 22 6.167 24.933 29.270 1.00 1.00 H new ATOM 352 N ALA A 23 6.450 22.910 25.919 1.00 1.00 N ATOM 353 CA ALA A 23 6.742 21.838 24.971 1.00 1.00 C ATOM 354 C ALA A 23 6.949 20.519 25.709 1.00 1.00 C ATOM 355 O ALA A 23 6.547 19.460 25.230 1.00 1.00 O ATOM 356 CB ALA A 23 7.991 22.185 24.161 1.00 1.00 C ATOM 0 H ALA A 23 7.202 23.590 26.031 1.00 1.00 H new ATOM 0 HA ALA A 23 5.895 21.730 24.293 1.00 1.00 H new ATOM 0 HB1 ALA A 23 8.203 21.381 23.456 1.00 1.00 H new ATOM 0 HB2 ALA A 23 7.824 23.113 23.614 1.00 1.00 H new ATOM 0 HB3 ALA A 23 8.839 22.309 24.835 1.00 1.00 H new ATOM 362 N ALA A 24 7.562 20.599 26.882 1.00 1.00 N ATOM 363 CA ALA A 24 7.816 19.415 27.697 1.00 1.00 C ATOM 364 C ALA A 24 6.511 18.660 27.914 1.00 1.00 C ATOM 365 O ALA A 24 6.495 17.435 28.045 1.00 1.00 O ATOM 366 CB ALA A 24 8.391 19.830 29.053 1.00 1.00 C ATOM 0 H ALA A 24 7.894 21.472 27.293 1.00 1.00 H new ATOM 0 HA ALA A 24 8.532 18.774 27.183 1.00 1.00 H new ATOM 0 HB1 ALA A 24 8.578 18.942 29.656 1.00 1.00 H new ATOM 0 HB2 ALA A 24 9.326 20.370 28.902 1.00 1.00 H new ATOM 0 HB3 ALA A 24 7.679 20.475 29.568 1.00 1.00 H new ATOM 372 N THR A 25 5.417 19.413 27.974 1.00 1.00 N ATOM 373 CA THR A 25 4.101 18.854 28.199 1.00 1.00 C ATOM 374 C THR A 25 3.449 18.436 26.880 1.00 1.00 C ATOM 375 O THR A 25 2.990 17.303 26.737 1.00 1.00 O ATOM 376 CB THR A 25 3.250 19.909 28.902 1.00 1.00 C ATOM 377 OG1 THR A 25 4.000 20.494 29.956 1.00 1.00 O ATOM 378 CG2 THR A 25 2.000 19.261 29.478 1.00 1.00 C ATOM 0 H THR A 25 5.425 20.427 27.867 1.00 1.00 H new ATOM 0 HA THR A 25 4.184 17.961 28.818 1.00 1.00 H new ATOM 0 HB THR A 25 2.963 20.676 28.183 1.00 1.00 H new ATOM 0 HG1 THR A 25 4.713 21.052 29.580 1.00 1.00 H new ATOM 0 HG21 THR A 25 1.396 20.017 29.979 1.00 1.00 H new ATOM 0 HG22 THR A 25 1.421 18.808 28.673 1.00 1.00 H new ATOM 0 HG23 THR A 25 2.286 18.492 30.196 1.00 1.00 H new ATOM 386 N ALA A 26 3.405 19.361 25.928 1.00 1.00 N ATOM 387 CA ALA A 26 2.791 19.084 24.632 1.00 1.00 C ATOM 388 C ALA A 26 3.438 17.875 23.947 1.00 1.00 C ATOM 389 O ALA A 26 2.757 17.111 23.265 1.00 1.00 O ATOM 390 CB ALA A 26 2.921 20.316 23.725 1.00 1.00 C ATOM 0 H ALA A 26 3.784 20.303 26.026 1.00 1.00 H new ATOM 0 HA ALA A 26 1.739 18.853 24.802 1.00 1.00 H new ATOM 0 HB1 ALA A 26 2.462 20.107 22.759 1.00 1.00 H new ATOM 0 HB2 ALA A 26 2.418 21.164 24.189 1.00 1.00 H new ATOM 0 HB3 ALA A 26 3.975 20.553 23.582 1.00 1.00 H new ATOM 396 N GLU A 27 4.747 17.709 24.118 1.00 1.00 N ATOM 397 CA GLU A 27 5.446 16.589 23.481 1.00 1.00 C ATOM 398 C GLU A 27 4.878 15.249 23.943 1.00 1.00 C ATOM 399 O GLU A 27 4.639 14.354 23.134 1.00 1.00 O ATOM 400 CB GLU A 27 6.971 16.670 23.746 1.00 1.00 C ATOM 401 CG GLU A 27 7.363 16.029 25.091 1.00 1.00 C ATOM 402 CD GLU A 27 8.847 16.265 25.377 1.00 1.00 C ATOM 403 OE1 GLU A 27 9.545 16.703 24.476 1.00 1.00 O ATOM 404 OE2 GLU A 27 9.261 16.010 26.495 1.00 1.00 O ATOM 0 H GLU A 27 5.338 18.321 24.680 1.00 1.00 H new ATOM 0 HA GLU A 27 5.286 16.662 22.405 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.505 16.170 22.938 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.284 17.714 23.738 1.00 1.00 H new ATOM 0 HG2 GLU A 27 6.759 16.452 25.893 1.00 1.00 H new ATOM 0 HG3 GLU A 27 7.156 14.959 25.066 1.00 1.00 H new ATOM 411 N LYS A 28 4.688 15.112 25.244 1.00 1.00 N ATOM 412 CA LYS A 28 4.181 13.861 25.787 1.00 1.00 C ATOM 413 C LYS A 28 2.721 13.666 25.406 1.00 1.00 C ATOM 414 O LYS A 28 2.263 12.535 25.249 1.00 1.00 O ATOM 415 CB LYS A 28 4.356 13.833 27.302 1.00 1.00 C ATOM 416 CG LYS A 28 5.837 13.605 27.636 1.00 1.00 C ATOM 417 CD LYS A 28 6.061 13.642 29.159 1.00 1.00 C ATOM 418 CE LYS A 28 6.242 15.101 29.624 1.00 1.00 C ATOM 419 NZ LYS A 28 6.347 15.153 31.126 1.00 1.00 N ATOM 0 H LYS A 28 4.873 15.838 25.936 1.00 1.00 H new ATOM 0 HA LYS A 28 4.754 13.038 25.360 1.00 1.00 H new ATOM 0 HB2 LYS A 28 4.013 14.772 27.737 1.00 1.00 H new ATOM 0 HB3 LYS A 28 3.747 13.040 27.736 1.00 1.00 H new ATOM 0 HG2 LYS A 28 6.161 12.643 27.239 1.00 1.00 H new ATOM 0 HG3 LYS A 28 6.446 14.370 27.155 1.00 1.00 H new ATOM 0 HD2 LYS A 28 5.212 13.190 29.672 1.00 1.00 H new ATOM 0 HD3 LYS A 28 6.941 13.055 29.421 1.00 1.00 H new ATOM 0 HE2 LYS A 28 7.139 15.527 29.173 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.399 15.706 29.289 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 6.469 16.140 31.432 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.480 14.764 31.548 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 7.165 14.591 31.436 1.00 1.00 H new ATOM 433 N VAL A 29 2.003 14.769 25.255 1.00 1.00 N ATOM 434 CA VAL A 29 0.591 14.717 24.896 1.00 1.00 C ATOM 435 C VAL A 29 0.420 14.265 23.444 1.00 1.00 C ATOM 436 O VAL A 29 -0.445 13.444 23.147 1.00 1.00 O ATOM 437 CB VAL A 29 -0.037 16.103 25.090 1.00 1.00 C ATOM 438 CG1 VAL A 29 -1.473 16.103 24.557 1.00 1.00 C ATOM 439 CG2 VAL A 29 -0.041 16.449 26.581 1.00 1.00 C ATOM 0 H VAL A 29 2.374 15.712 25.375 1.00 1.00 H new ATOM 0 HA VAL A 29 0.090 13.996 25.541 1.00 1.00 H new ATOM 0 HB VAL A 29 0.544 16.845 24.543 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -1.913 17.090 24.698 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -1.467 15.856 23.495 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -2.062 15.362 25.098 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -0.486 17.433 26.725 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -0.622 15.705 27.126 1.00 1.00 H new ATOM 0 HG23 VAL A 29 0.983 16.456 26.956 1.00 1.00 H new ATOM 449 N PHE A 30 1.243 14.793 22.543 1.00 1.00 N ATOM 450 CA PHE A 30 1.130 14.412 21.141 1.00 1.00 C ATOM 451 C PHE A 30 1.508 12.961 20.915 1.00 1.00 C ATOM 452 O PHE A 30 0.893 12.276 20.100 1.00 1.00 O ATOM 453 CB PHE A 30 2.026 15.270 20.257 1.00 1.00 C ATOM 454 CG PHE A 30 1.484 16.680 20.160 1.00 1.00 C ATOM 455 CD1 PHE A 30 0.205 16.902 19.617 1.00 1.00 C ATOM 456 CD2 PHE A 30 2.273 17.764 20.560 1.00 1.00 C ATOM 457 CE1 PHE A 30 -0.271 18.205 19.478 1.00 1.00 C ATOM 458 CE2 PHE A 30 1.791 19.066 20.402 1.00 1.00 C ATOM 459 CZ PHE A 30 0.518 19.281 19.860 1.00 1.00 C ATOM 0 H PHE A 30 1.978 15.469 22.751 1.00 1.00 H new ATOM 0 HA PHE A 30 0.084 14.563 20.875 1.00 1.00 H new ATOM 0 HB2 PHE A 30 3.037 15.290 20.665 1.00 1.00 H new ATOM 0 HB3 PHE A 30 2.092 14.831 19.262 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -0.406 16.066 19.309 1.00 1.00 H new ATOM 0 HD2 PHE A 30 3.250 17.595 20.989 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -1.257 18.378 19.072 1.00 1.00 H new ATOM 0 HE2 PHE A 30 2.401 19.907 20.698 1.00 1.00 H new ATOM 0 HZ PHE A 30 0.148 20.289 19.739 1.00 1.00 H new ATOM 469 N LYS A 31 2.535 12.495 21.605 1.00 1.00 N ATOM 470 CA LYS A 31 2.963 11.130 21.404 1.00 1.00 C ATOM 471 C LYS A 31 1.869 10.209 21.904 1.00 1.00 C ATOM 472 O LYS A 31 1.577 9.177 21.300 1.00 1.00 O ATOM 473 CB LYS A 31 4.280 10.865 22.131 1.00 1.00 C ATOM 474 CG LYS A 31 5.388 11.701 21.489 1.00 1.00 C ATOM 475 CD LYS A 31 6.687 11.474 22.280 1.00 1.00 C ATOM 476 CE LYS A 31 7.856 12.272 21.677 1.00 1.00 C ATOM 477 NZ LYS A 31 7.837 13.687 22.170 1.00 1.00 N ATOM 0 H LYS A 31 3.072 13.027 22.290 1.00 1.00 H new ATOM 0 HA LYS A 31 3.138 10.947 20.344 1.00 1.00 H new ATOM 0 HB2 LYS A 31 4.183 11.118 23.187 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.531 9.806 22.079 1.00 1.00 H new ATOM 0 HG2 LYS A 31 5.524 11.414 20.446 1.00 1.00 H new ATOM 0 HG3 LYS A 31 5.119 12.757 21.497 1.00 1.00 H new ATOM 0 HD2 LYS A 31 6.539 11.770 23.319 1.00 1.00 H new ATOM 0 HD3 LYS A 31 6.932 10.412 22.283 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.802 11.801 21.944 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.790 12.259 20.589 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 8.131 14.326 21.404 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 6.875 13.935 22.477 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 8.492 13.784 22.972 1.00 1.00 H new ATOM 491 N GLN A 32 1.238 10.618 22.997 1.00 1.00 N ATOM 492 CA GLN A 32 0.139 9.854 23.555 1.00 1.00 C ATOM 493 C GLN A 32 -0.985 9.773 22.534 1.00 1.00 C ATOM 494 O GLN A 32 -1.557 8.715 22.306 1.00 1.00 O ATOM 495 CB GLN A 32 -0.383 10.480 24.854 1.00 1.00 C ATOM 496 CG GLN A 32 -1.753 9.860 25.209 1.00 1.00 C ATOM 497 CD GLN A 32 -2.051 10.061 26.689 1.00 1.00 C ATOM 498 OE1 GLN A 32 -2.881 9.350 27.256 1.00 1.00 O ATOM 499 NE2 GLN A 32 -1.427 11.006 27.346 1.00 1.00 N ATOM 0 H GLN A 32 1.469 11.469 23.509 1.00 1.00 H new ATOM 0 HA GLN A 32 0.504 8.855 23.792 1.00 1.00 H new ATOM 0 HB2 GLN A 32 0.327 10.309 25.664 1.00 1.00 H new ATOM 0 HB3 GLN A 32 -0.479 11.559 24.737 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -2.536 10.320 24.607 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -1.752 8.796 24.972 1.00 1.00 H new ATOM 0 HE21 GLN A 32 -0.741 11.591 26.869 1.00 1.00 H new ATOM 0 HE22 GLN A 32 -1.627 11.157 28.335 1.00 1.00 H new ATOM 508 N TYR A 33 -1.292 10.920 21.942 1.00 1.00 N ATOM 509 CA TYR A 33 -2.352 11.011 20.959 1.00 1.00 C ATOM 510 C TYR A 33 -2.057 10.073 19.791 1.00 1.00 C ATOM 511 O TYR A 33 -2.908 9.273 19.403 1.00 1.00 O ATOM 512 CB TYR A 33 -2.455 12.477 20.502 1.00 1.00 C ATOM 513 CG TYR A 33 -3.070 12.583 19.129 1.00 1.00 C ATOM 514 CD1 TYR A 33 -4.462 12.632 18.978 1.00 1.00 C ATOM 515 CD2 TYR A 33 -2.241 12.607 18.001 1.00 1.00 C ATOM 516 CE1 TYR A 33 -5.018 12.711 17.692 1.00 1.00 C ATOM 517 CE2 TYR A 33 -2.796 12.692 16.732 1.00 1.00 C ATOM 518 CZ TYR A 33 -4.179 12.743 16.570 1.00 1.00 C ATOM 519 OH TYR A 33 -4.721 12.808 15.300 1.00 1.00 O ATOM 0 H TYR A 33 -0.816 11.802 22.130 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.307 10.705 21.386 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.055 13.041 21.216 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -1.463 12.928 20.494 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -5.104 12.609 19.846 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -1.168 12.559 18.119 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -6.090 12.747 17.567 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -2.152 12.719 15.865 1.00 1.00 H new ATOM 0 HH TYR A 33 -4.000 12.823 14.637 1.00 1.00 H new ATOM 529 N ALA A 34 -0.853 10.170 19.246 1.00 1.00 N ATOM 530 CA ALA A 34 -0.462 9.318 18.140 1.00 1.00 C ATOM 531 C ALA A 34 -0.479 7.847 18.574 1.00 1.00 C ATOM 532 O ALA A 34 -0.957 6.983 17.843 1.00 1.00 O ATOM 533 CB ALA A 34 0.947 9.722 17.669 1.00 1.00 C ATOM 0 H ALA A 34 -0.136 10.827 19.552 1.00 1.00 H new ATOM 0 HA ALA A 34 -1.167 9.439 17.318 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.249 9.086 16.837 1.00 1.00 H new ATOM 0 HB2 ALA A 34 0.938 10.763 17.345 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.653 9.604 18.491 1.00 1.00 H new ATOM 539 N ASN A 35 0.041 7.582 19.780 1.00 1.00 N ATOM 540 CA ASN A 35 0.075 6.223 20.288 1.00 1.00 C ATOM 541 C ASN A 35 -1.356 5.775 20.543 1.00 1.00 C ATOM 542 O ASN A 35 -1.751 4.660 20.198 1.00 1.00 O ATOM 543 CB ASN A 35 0.893 6.141 21.575 1.00 1.00 C ATOM 544 CG ASN A 35 0.786 4.755 22.192 1.00 1.00 C ATOM 545 OD1 ASN A 35 -0.099 4.509 23.008 1.00 1.00 O ATOM 546 ND2 ASN A 35 1.613 3.815 21.823 1.00 1.00 N ATOM 0 H ASN A 35 0.435 8.284 20.406 1.00 1.00 H new ATOM 0 HA ASN A 35 0.550 5.571 19.556 1.00 1.00 H new ATOM 0 HB2 ASN A 35 1.937 6.371 21.363 1.00 1.00 H new ATOM 0 HB3 ASN A 35 0.540 6.889 22.285 1.00 1.00 H new ATOM 0 HD21 ASN A 35 1.525 2.876 22.212 1.00 1.00 H new ATOM 0 HD22 ASN A 35 2.348 4.019 21.146 1.00 1.00 H new ATOM 553 N ASP A 36 -2.137 6.680 21.117 1.00 1.00 N ATOM 554 CA ASP A 36 -3.537 6.439 21.378 1.00 1.00 C ATOM 555 C ASP A 36 -4.279 6.303 20.066 1.00 1.00 C ATOM 556 O ASP A 36 -5.417 5.824 20.023 1.00 1.00 O ATOM 557 CB ASP A 36 -4.144 7.575 22.193 1.00 1.00 C ATOM 558 CG ASP A 36 -3.619 7.546 23.619 1.00 1.00 C ATOM 559 OD1 ASP A 36 -2.943 6.593 23.977 1.00 1.00 O ATOM 560 OD2 ASP A 36 -3.893 8.496 24.328 1.00 1.00 O ATOM 0 H ASP A 36 -1.811 7.600 21.412 1.00 1.00 H new ATOM 0 HA ASP A 36 -3.628 5.517 21.953 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -3.903 8.532 21.730 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -5.230 7.487 22.197 1.00 1.00 H new ATOM 565 N ASN A 37 -3.619 6.682 18.948 1.00 1.00 N ATOM 566 CA ASN A 37 -4.269 6.536 17.636 1.00 1.00 C ATOM 567 C ASN A 37 -3.600 5.444 16.794 1.00 1.00 C ATOM 568 O ASN A 37 -3.952 5.262 15.628 1.00 1.00 O ATOM 569 CB ASN A 37 -4.196 7.862 16.857 1.00 1.00 C ATOM 570 CG ASN A 37 -5.177 8.864 17.460 1.00 1.00 C ATOM 571 OD1 ASN A 37 -6.013 8.483 18.279 1.00 1.00 O ATOM 572 ND2 ASN A 37 -5.112 10.126 17.130 1.00 1.00 N ATOM 0 H ASN A 37 -2.678 7.074 18.929 1.00 1.00 H new ATOM 0 HA ASN A 37 -5.307 6.258 17.820 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -3.183 8.262 16.894 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -4.433 7.692 15.807 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -5.754 10.797 17.551 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -4.419 10.441 16.451 1.00 1.00 H new ATOM 579 N GLY A 38 -2.647 4.714 17.381 1.00 1.00 N ATOM 580 CA GLY A 38 -1.976 3.631 16.653 1.00 1.00 C ATOM 581 C GLY A 38 -0.773 4.133 15.840 1.00 1.00 C ATOM 582 O GLY A 38 -0.182 3.372 15.067 1.00 1.00 O ATOM 0 H GLY A 38 -2.327 4.848 18.340 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -1.642 2.873 17.361 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -2.689 3.150 15.983 1.00 1.00 H new ATOM 586 N VAL A 39 -0.444 5.418 15.992 1.00 1.00 N ATOM 587 CA VAL A 39 0.670 5.992 15.239 1.00 1.00 C ATOM 588 C VAL A 39 1.980 5.895 16.023 1.00 1.00 C ATOM 589 O VAL A 39 2.088 6.316 17.177 1.00 1.00 O ATOM 590 CB VAL A 39 0.374 7.450 14.913 1.00 1.00 C ATOM 591 CG1 VAL A 39 1.388 8.007 13.917 1.00 1.00 C ATOM 592 CG2 VAL A 39 -1.031 7.560 14.320 1.00 1.00 C ATOM 0 H VAL A 39 -0.922 6.068 16.616 1.00 1.00 H new ATOM 0 HA VAL A 39 0.783 5.423 14.316 1.00 1.00 H new ATOM 0 HB VAL A 39 0.441 8.030 15.834 1.00 1.00 H new ATOM 0 HG11 VAL A 39 1.152 9.049 13.702 1.00 1.00 H new ATOM 0 HG12 VAL A 39 2.389 7.941 14.342 1.00 1.00 H new ATOM 0 HG13 VAL A 39 1.347 7.428 12.994 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -1.246 8.602 14.085 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -1.089 6.964 13.409 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -1.760 7.192 15.042 1.00 1.00 H new ATOM 602 N ASP A 40 2.992 5.358 15.335 1.00 1.00 N ATOM 603 CA ASP A 40 4.337 5.218 15.873 1.00 1.00 C ATOM 604 C ASP A 40 5.334 5.612 14.791 1.00 1.00 C ATOM 605 O ASP A 40 5.481 4.880 13.810 1.00 1.00 O ATOM 606 CB ASP A 40 4.586 3.761 16.284 1.00 1.00 C ATOM 607 CG ASP A 40 5.919 3.633 17.019 1.00 1.00 C ATOM 608 OD1 ASP A 40 6.663 4.601 17.025 1.00 1.00 O ATOM 609 OD2 ASP A 40 6.180 2.566 17.546 1.00 1.00 O ATOM 0 H ASP A 40 2.894 5.007 14.382 1.00 1.00 H new ATOM 0 HA ASP A 40 4.453 5.858 16.747 1.00 1.00 H new ATOM 0 HB2 ASP A 40 3.776 3.414 16.925 1.00 1.00 H new ATOM 0 HB3 ASP A 40 4.588 3.123 15.400 1.00 1.00 H new ATOM 614 N GLY A 41 6.014 6.740 14.937 1.00 1.00 N ATOM 615 CA GLY A 41 6.973 7.150 13.915 1.00 1.00 C ATOM 616 C GLY A 41 8.176 7.868 14.498 1.00 1.00 C ATOM 617 O GLY A 41 8.580 7.626 15.638 1.00 1.00 O ATOM 0 H GLY A 41 5.926 7.375 15.730 1.00 1.00 H new ATOM 0 HA2 GLY A 41 7.310 6.271 13.365 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.477 7.804 13.198 1.00 1.00 H new ATOM 621 N GLU A 42 8.742 8.770 13.694 1.00 1.00 N ATOM 622 CA GLU A 42 9.883 9.555 14.122 1.00 1.00 C ATOM 623 C GLU A 42 9.338 10.922 14.473 1.00 1.00 C ATOM 624 O GLU A 42 8.440 11.406 13.804 1.00 1.00 O ATOM 625 CB GLU A 42 10.922 9.675 13.014 1.00 1.00 C ATOM 626 CG GLU A 42 11.557 8.309 12.761 1.00 1.00 C ATOM 627 CD GLU A 42 12.550 8.405 11.609 1.00 1.00 C ATOM 628 OE1 GLU A 42 12.742 9.495 11.101 1.00 1.00 O ATOM 629 OE2 GLU A 42 13.129 7.383 11.267 1.00 1.00 O ATOM 0 H GLU A 42 8.424 8.969 12.746 1.00 1.00 H new ATOM 0 HA GLU A 42 10.382 9.083 14.969 1.00 1.00 H new ATOM 0 HB2 GLU A 42 10.455 10.045 12.101 1.00 1.00 H new ATOM 0 HB3 GLU A 42 11.688 10.397 13.296 1.00 1.00 H new ATOM 0 HG2 GLU A 42 12.063 7.961 13.661 1.00 1.00 H new ATOM 0 HG3 GLU A 42 10.784 7.577 12.527 1.00 1.00 H new ATOM 636 N TRP A 43 9.829 11.501 15.552 1.00 1.00 N ATOM 637 CA TRP A 43 9.317 12.787 16.032 1.00 1.00 C ATOM 638 C TRP A 43 10.357 13.877 16.077 1.00 1.00 C ATOM 639 O TRP A 43 11.529 13.655 16.380 1.00 1.00 O ATOM 640 CB TRP A 43 8.792 12.606 17.446 1.00 1.00 C ATOM 641 CG TRP A 43 7.591 11.745 17.420 1.00 1.00 C ATOM 642 CD1 TRP A 43 7.599 10.392 17.360 1.00 1.00 C ATOM 643 CD2 TRP A 43 6.211 12.149 17.493 1.00 1.00 C ATOM 644 NE1 TRP A 43 6.290 9.944 17.379 1.00 1.00 N ATOM 645 CE2 TRP A 43 5.401 10.994 17.464 1.00 1.00 C ATOM 646 CE3 TRP A 43 5.587 13.406 17.576 1.00 1.00 C ATOM 647 CZ2 TRP A 43 4.017 11.094 17.517 1.00 1.00 C ATOM 648 CZ3 TRP A 43 4.192 13.504 17.629 1.00 1.00 C ATOM 649 CH2 TRP A 43 3.400 12.346 17.602 1.00 1.00 C ATOM 0 H TRP A 43 10.581 11.108 16.118 1.00 1.00 H new ATOM 0 HA TRP A 43 8.544 13.092 15.327 1.00 1.00 H new ATOM 0 HB2 TRP A 43 9.560 12.158 18.076 1.00 1.00 H new ATOM 0 HB3 TRP A 43 8.548 13.575 17.882 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.479 9.768 17.306 1.00 1.00 H new ATOM 0 HE1 TRP A 43 6.018 8.962 17.336 1.00 1.00 H new ATOM 0 HE3 TRP A 43 6.189 14.303 17.599 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 3.413 10.199 17.492 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 3.723 14.475 17.691 1.00 1.00 H new ATOM 0 HH2 TRP A 43 2.324 12.421 17.646 1.00 1.00 H new ATOM 660 N THR A 44 9.864 15.066 15.773 1.00 1.00 N ATOM 661 CA THR A 44 10.650 16.282 15.748 1.00 1.00 C ATOM 662 C THR A 44 9.817 17.421 16.324 1.00 1.00 C ATOM 663 O THR A 44 8.585 17.352 16.328 1.00 1.00 O ATOM 664 CB THR A 44 10.989 16.602 14.303 1.00 1.00 C ATOM 665 OG1 THR A 44 11.462 17.939 14.216 1.00 1.00 O ATOM 666 CG2 THR A 44 9.724 16.418 13.466 1.00 1.00 C ATOM 0 H THR A 44 8.884 15.213 15.532 1.00 1.00 H new ATOM 0 HA THR A 44 11.561 16.157 16.333 1.00 1.00 H new ATOM 0 HB THR A 44 11.770 15.939 13.930 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.683 18.148 13.284 1.00 1.00 H new ATOM 0 HG21 THR A 44 9.943 16.643 12.422 1.00 1.00 H new ATOM 0 HG22 THR A 44 9.378 15.388 13.551 1.00 1.00 H new ATOM 0 HG23 THR A 44 8.947 17.092 13.827 1.00 1.00 H new ATOM 674 N TYR A 45 10.473 18.480 16.799 1.00 1.00 N ATOM 675 CA TYR A 45 9.745 19.617 17.362 1.00 1.00 C ATOM 676 C TYR A 45 10.412 20.943 17.031 1.00 1.00 C ATOM 677 O TYR A 45 11.631 21.084 17.129 1.00 1.00 O ATOM 678 CB TYR A 45 9.652 19.464 18.886 1.00 1.00 C ATOM 679 CG TYR A 45 9.035 20.709 19.504 1.00 1.00 C ATOM 680 CD1 TYR A 45 7.737 21.100 19.138 1.00 1.00 C ATOM 681 CD2 TYR A 45 9.754 21.468 20.440 1.00 1.00 C ATOM 682 CE1 TYR A 45 7.160 22.241 19.711 1.00 1.00 C ATOM 683 CE2 TYR A 45 9.172 22.605 21.008 1.00 1.00 C ATOM 684 CZ TYR A 45 7.882 22.994 20.645 1.00 1.00 C ATOM 685 OH TYR A 45 7.310 24.116 21.212 1.00 1.00 O ATOM 0 H TYR A 45 11.489 18.575 16.806 1.00 1.00 H new ATOM 0 HA TYR A 45 8.750 19.623 16.918 1.00 1.00 H new ATOM 0 HB2 TYR A 45 9.050 18.590 19.135 1.00 1.00 H new ATOM 0 HB3 TYR A 45 10.645 19.297 19.303 1.00 1.00 H new ATOM 0 HD1 TYR A 45 7.183 20.521 18.414 1.00 1.00 H new ATOM 0 HD2 TYR A 45 10.755 21.174 20.721 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.160 22.539 19.433 1.00 1.00 H new ATOM 0 HE2 TYR A 45 9.724 23.186 21.732 1.00 1.00 H new ATOM 0 HH TYR A 45 6.459 23.872 21.633 1.00 1.00 H new ATOM 695 N ASP A 46 9.577 21.929 16.703 1.00 1.00 N ATOM 696 CA ASP A 46 10.048 23.283 16.433 1.00 1.00 C ATOM 697 C ASP A 46 9.441 24.205 17.490 1.00 1.00 C ATOM 698 O ASP A 46 8.218 24.283 17.613 1.00 1.00 O ATOM 699 CB ASP A 46 9.619 23.743 15.042 1.00 1.00 C ATOM 700 CG ASP A 46 10.145 25.152 14.796 1.00 1.00 C ATOM 701 OD1 ASP A 46 10.636 25.754 15.736 1.00 1.00 O ATOM 702 OD2 ASP A 46 10.036 25.614 13.672 1.00 1.00 O ATOM 0 H ASP A 46 8.567 21.812 16.618 1.00 1.00 H new ATOM 0 HA ASP A 46 11.137 23.309 16.471 1.00 1.00 H new ATOM 0 HB2 ASP A 46 10.005 23.060 14.285 1.00 1.00 H new ATOM 0 HB3 ASP A 46 8.532 23.728 14.960 1.00 1.00 H new ATOM 707 N ASP A 47 10.293 24.869 18.271 1.00 1.00 N ATOM 708 CA ASP A 47 9.807 25.736 19.340 1.00 1.00 C ATOM 709 C ASP A 47 9.452 27.123 18.817 1.00 1.00 C ATOM 710 O ASP A 47 8.686 27.853 19.446 1.00 1.00 O ATOM 711 CB ASP A 47 10.909 25.894 20.388 1.00 1.00 C ATOM 712 CG ASP A 47 10.498 26.929 21.429 1.00 1.00 C ATOM 713 OD1 ASP A 47 9.307 27.146 21.581 1.00 1.00 O ATOM 714 OD2 ASP A 47 11.378 27.472 22.077 1.00 1.00 O ATOM 0 H ASP A 47 11.308 24.824 18.185 1.00 1.00 H new ATOM 0 HA ASP A 47 8.913 25.279 19.765 1.00 1.00 H new ATOM 0 HB2 ASP A 47 11.101 24.936 20.872 1.00 1.00 H new ATOM 0 HB3 ASP A 47 11.838 26.200 19.907 1.00 1.00 H new ATOM 719 N ALA A 48 10.025 27.498 17.683 1.00 1.00 N ATOM 720 CA ALA A 48 9.755 28.821 17.143 1.00 1.00 C ATOM 721 C ALA A 48 8.405 28.842 16.433 1.00 1.00 C ATOM 722 O ALA A 48 7.804 29.903 16.261 1.00 1.00 O ATOM 723 CB ALA A 48 10.852 29.198 16.157 1.00 1.00 C ATOM 0 H ALA A 48 10.662 26.923 17.132 1.00 1.00 H new ATOM 0 HA ALA A 48 9.731 29.538 17.963 1.00 1.00 H new ATOM 0 HB1 ALA A 48 10.651 30.189 15.751 1.00 1.00 H new ATOM 0 HB2 ALA A 48 11.815 29.203 16.668 1.00 1.00 H new ATOM 0 HB3 ALA A 48 10.877 28.472 15.345 1.00 1.00 H new ATOM 729 N THR A 49 7.932 27.671 16.014 1.00 1.00 N ATOM 730 CA THR A 49 6.649 27.556 15.313 1.00 1.00 C ATOM 731 C THR A 49 5.656 26.770 16.160 1.00 1.00 C ATOM 732 O THR A 49 4.471 26.712 15.837 1.00 1.00 O ATOM 733 CB THR A 49 6.850 26.855 13.958 1.00 1.00 C ATOM 734 OG1 THR A 49 7.705 25.738 14.130 1.00 1.00 O ATOM 735 CG2 THR A 49 7.478 27.828 12.951 1.00 1.00 C ATOM 0 H THR A 49 8.417 26.784 16.147 1.00 1.00 H new ATOM 0 HA THR A 49 6.253 28.557 15.141 1.00 1.00 H new ATOM 0 HB THR A 49 5.883 26.525 13.579 1.00 1.00 H new ATOM 0 HG1 THR A 49 8.390 25.740 13.430 1.00 1.00 H new ATOM 0 HG21 THR A 49 7.617 27.323 11.995 1.00 1.00 H new ATOM 0 HG22 THR A 49 6.820 28.687 12.816 1.00 1.00 H new ATOM 0 HG23 THR A 49 8.444 28.166 13.326 1.00 1.00 H new ATOM 743 N LYS A 50 6.141 26.156 17.246 1.00 1.00 N ATOM 744 CA LYS A 50 5.268 25.378 18.110 1.00 1.00 C ATOM 745 C LYS A 50 4.583 24.278 17.316 1.00 1.00 C ATOM 746 O LYS A 50 3.374 24.082 17.435 1.00 1.00 O ATOM 747 CB LYS A 50 4.204 26.291 18.722 1.00 1.00 C ATOM 748 CG LYS A 50 4.862 27.502 19.381 1.00 1.00 C ATOM 749 CD LYS A 50 5.793 27.045 20.511 1.00 1.00 C ATOM 750 CE LYS A 50 6.096 28.229 21.434 1.00 1.00 C ATOM 751 NZ LYS A 50 6.831 27.753 22.637 1.00 1.00 N ATOM 0 H LYS A 50 7.118 26.186 17.538 1.00 1.00 H new ATOM 0 HA LYS A 50 5.870 24.928 18.900 1.00 1.00 H new ATOM 0 HB2 LYS A 50 3.510 26.621 17.949 1.00 1.00 H new ATOM 0 HB3 LYS A 50 3.621 25.739 19.459 1.00 1.00 H new ATOM 0 HG2 LYS A 50 5.427 28.067 18.640 1.00 1.00 H new ATOM 0 HG3 LYS A 50 4.098 28.171 19.777 1.00 1.00 H new ATOM 0 HD2 LYS A 50 5.326 26.239 21.077 1.00 1.00 H new ATOM 0 HD3 LYS A 50 6.719 26.648 20.095 1.00 1.00 H new ATOM 0 HE2 LYS A 50 6.691 28.973 20.904 1.00 1.00 H new ATOM 0 HE3 LYS A 50 5.168 28.716 21.732 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 6.756 28.463 23.393 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.419 26.855 22.963 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 7.832 27.608 22.397 1.00 1.00 H new ATOM 765 N THR A 51 5.357 23.574 16.483 1.00 1.00 N ATOM 766 CA THR A 51 4.792 22.504 15.649 1.00 1.00 C ATOM 767 C THR A 51 5.552 21.186 15.832 1.00 1.00 C ATOM 768 O THR A 51 6.775 21.141 15.693 1.00 1.00 O ATOM 769 CB THR A 51 4.856 22.916 14.173 1.00 1.00 C ATOM 770 OG1 THR A 51 4.150 24.134 13.991 1.00 1.00 O ATOM 771 CG2 THR A 51 4.214 21.824 13.316 1.00 1.00 C ATOM 0 H THR A 51 6.360 23.721 16.368 1.00 1.00 H new ATOM 0 HA THR A 51 3.758 22.351 15.958 1.00 1.00 H new ATOM 0 HB THR A 51 5.896 23.051 13.876 1.00 1.00 H new ATOM 0 HG1 THR A 51 4.192 24.399 13.048 1.00 1.00 H new ATOM 0 HG21 THR A 51 4.257 22.113 12.266 1.00 1.00 H new ATOM 0 HG22 THR A 51 4.753 20.887 13.457 1.00 1.00 H new ATOM 0 HG23 THR A 51 3.174 21.693 13.613 1.00 1.00 H new ATOM 779 N PHE A 52 4.811 20.097 16.097 1.00 1.00 N ATOM 780 CA PHE A 52 5.413 18.782 16.241 1.00 1.00 C ATOM 781 C PHE A 52 5.055 17.992 15.008 1.00 1.00 C ATOM 782 O PHE A 52 4.025 18.255 14.400 1.00 1.00 O ATOM 783 CB PHE A 52 4.830 18.058 17.455 1.00 1.00 C ATOM 784 CG PHE A 52 5.306 18.685 18.739 1.00 1.00 C ATOM 785 CD1 PHE A 52 4.591 19.748 19.301 1.00 1.00 C ATOM 786 CD2 PHE A 52 6.449 18.192 19.383 1.00 1.00 C ATOM 787 CE1 PHE A 52 5.017 20.319 20.507 1.00 1.00 C ATOM 788 CE2 PHE A 52 6.873 18.760 20.590 1.00 1.00 C ATOM 789 CZ PHE A 52 6.157 19.824 21.152 1.00 1.00 C ATOM 0 H PHE A 52 3.798 20.112 16.214 1.00 1.00 H new ATOM 0 HA PHE A 52 6.491 18.879 16.369 1.00 1.00 H new ATOM 0 HB2 PHE A 52 3.741 18.089 17.413 1.00 1.00 H new ATOM 0 HB3 PHE A 52 5.120 17.008 17.430 1.00 1.00 H new ATOM 0 HD1 PHE A 52 3.710 20.128 18.805 1.00 1.00 H new ATOM 0 HD2 PHE A 52 7.003 17.373 18.948 1.00 1.00 H new ATOM 0 HE1 PHE A 52 4.466 21.141 20.939 1.00 1.00 H new ATOM 0 HE2 PHE A 52 7.752 18.378 21.088 1.00 1.00 H new ATOM 0 HZ PHE A 52 6.484 20.263 22.083 1.00 1.00 H new ATOM 799 N THR A 53 5.872 17.024 14.629 1.00 1.00 N ATOM 800 CA THR A 53 5.543 16.212 13.463 1.00 1.00 C ATOM 801 C THR A 53 5.908 14.769 13.740 1.00 1.00 C ATOM 802 O THR A 53 6.917 14.505 14.404 1.00 1.00 O ATOM 803 CB THR A 53 6.286 16.692 12.205 1.00 1.00 C ATOM 804 OG1 THR A 53 7.572 16.106 12.154 1.00 1.00 O ATOM 805 CG2 THR A 53 6.415 18.219 12.210 1.00 1.00 C ATOM 0 H THR A 53 6.746 16.783 15.095 1.00 1.00 H new ATOM 0 HA THR A 53 4.473 16.307 13.278 1.00 1.00 H new ATOM 0 HB THR A 53 5.715 16.390 11.327 1.00 1.00 H new ATOM 0 HG1 THR A 53 8.040 16.414 11.350 1.00 1.00 H new ATOM 0 HG21 THR A 53 6.943 18.542 11.313 1.00 1.00 H new ATOM 0 HG22 THR A 53 5.422 18.668 12.228 1.00 1.00 H new ATOM 0 HG23 THR A 53 6.972 18.534 13.092 1.00 1.00 H new ATOM 813 N VAL A 54 5.135 13.831 13.182 1.00 1.00 N ATOM 814 CA VAL A 54 5.453 12.417 13.340 1.00 1.00 C ATOM 815 C VAL A 54 5.298 11.698 12.014 1.00 1.00 C ATOM 816 O VAL A 54 4.358 11.945 11.259 1.00 1.00 O ATOM 817 CB VAL A 54 4.591 11.767 14.418 1.00 1.00 C ATOM 818 CG1 VAL A 54 3.124 11.816 14.027 1.00 1.00 C ATOM 819 CG2 VAL A 54 5.017 10.305 14.619 1.00 1.00 C ATOM 0 H VAL A 54 4.301 14.024 12.628 1.00 1.00 H new ATOM 0 HA VAL A 54 6.491 12.335 13.664 1.00 1.00 H new ATOM 0 HB VAL A 54 4.729 12.318 15.348 1.00 1.00 H new ATOM 0 HG11 VAL A 54 2.524 11.348 14.807 1.00 1.00 H new ATOM 0 HG12 VAL A 54 2.815 12.854 13.905 1.00 1.00 H new ATOM 0 HG13 VAL A 54 2.980 11.281 13.088 1.00 1.00 H new ATOM 0 HG21 VAL A 54 4.397 9.848 15.390 1.00 1.00 H new ATOM 0 HG22 VAL A 54 4.895 9.759 13.684 1.00 1.00 H new ATOM 0 HG23 VAL A 54 6.062 10.270 14.926 1.00 1.00 H new ATOM 829 N THR A 55 6.258 10.830 11.735 1.00 1.00 N ATOM 830 CA THR A 55 6.281 10.080 10.495 1.00 1.00 C ATOM 831 C THR A 55 6.662 8.625 10.733 1.00 1.00 C ATOM 832 O THR A 55 7.699 8.332 11.322 1.00 1.00 O ATOM 833 CB THR A 55 7.276 10.732 9.551 1.00 1.00 C ATOM 834 OG1 THR A 55 6.893 12.079 9.317 1.00 1.00 O ATOM 835 CG2 THR A 55 7.307 9.977 8.228 1.00 1.00 C ATOM 0 H THR A 55 7.038 10.628 12.360 1.00 1.00 H new ATOM 0 HA THR A 55 5.283 10.090 10.057 1.00 1.00 H new ATOM 0 HB THR A 55 8.268 10.706 10.002 1.00 1.00 H new ATOM 0 HG1 THR A 55 7.536 12.501 8.709 1.00 1.00 H new ATOM 0 HG21 THR A 55 8.023 10.450 7.556 1.00 1.00 H new ATOM 0 HG22 THR A 55 7.604 8.944 8.406 1.00 1.00 H new ATOM 0 HG23 THR A 55 6.316 9.996 7.775 1.00 1.00 H new ATOM 843 N GLU A 56 5.820 7.721 10.258 1.00 1.00 N ATOM 844 CA GLU A 56 6.074 6.295 10.393 1.00 1.00 C ATOM 845 C GLU A 56 6.740 5.761 9.126 1.00 1.00 C ATOM 846 O GLU A 56 6.793 6.497 8.155 1.00 1.00 O ATOM 847 CB GLU A 56 4.761 5.560 10.619 1.00 1.00 C ATOM 848 CG GLU A 56 3.873 6.349 11.571 1.00 1.00 C ATOM 849 CD GLU A 56 2.557 5.608 11.737 1.00 1.00 C ATOM 850 OE1 GLU A 56 1.705 5.735 10.873 1.00 1.00 O ATOM 851 OE2 GLU A 56 2.422 4.920 12.733 1.00 1.00 O ATOM 852 OXT GLU A 56 7.207 4.636 9.154 1.00 1.00 O ATOM 0 H GLU A 56 4.952 7.950 9.774 1.00 1.00 H new ATOM 0 HA GLU A 56 6.736 6.133 11.244 1.00 1.00 H new ATOM 0 HB2 GLU A 56 4.249 5.415 9.668 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.957 4.569 11.029 1.00 1.00 H new ATOM 0 HG2 GLU A 56 4.365 6.466 12.537 1.00 1.00 H new ATOM 0 HG3 GLU A 56 3.696 7.351 11.180 1.00 1.00 H new TER 859 GLU A 56