USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 417 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 50 THR OG1 : rot 80:sc= 0.0131 USER MOD Set 1.2: A 52 THR OG1 : rot -25:sc= 0.358 USER MOD Single : A 2 THR OG1 : rot 83:sc= 1.17 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.568 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0507 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= 0.115 X(o=0.11,f=-0.24) USER MOD Single : A 34 TYR OH : rot 30:sc= -0.313 USER MOD Single : A 36 ASN : amide:sc= -0.0235 X(o=-0.023,f=-0.47) USER MOD Single : A 38 ASN : amide:sc= -2.02 K(o=-2,f=-4.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 46 TYR OH : rot -119:sc= -3.67 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -18:sc= -0.346 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -14.021 1.115 1.708 1.00 0.00 N ATOM 21 CA THR A 2 -13.116 0.012 1.264 1.00 0.00 C ATOM 22 C THR A 2 -11.780 0.087 2.008 1.00 0.00 C ATOM 23 O THR A 2 -10.997 0.997 1.808 1.00 0.00 O ATOM 24 CB THR A 2 -12.911 0.244 -0.232 1.00 0.00 C ATOM 25 OG1 THR A 2 -14.176 0.314 -0.876 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.099 -0.910 -0.820 1.00 0.00 C ATOM 0 HA THR A 2 -13.537 -0.972 1.470 1.00 0.00 H new ATOM 0 HB THR A 2 -12.373 1.179 -0.386 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.539 1.220 -0.787 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.952 -0.745 -1.887 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.130 -0.962 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.635 -1.847 -0.668 1.00 0.00 H new ATOM 34 N THR A 3 -11.520 -0.864 2.867 1.00 0.00 N ATOM 35 CA THR A 3 -10.249 -0.861 3.635 1.00 0.00 C ATOM 36 C THR A 3 -9.130 -1.528 2.829 1.00 0.00 C ATOM 37 O THR A 3 -8.928 -2.725 2.909 1.00 0.00 O ATOM 38 CB THR A 3 -10.550 -1.663 4.903 1.00 0.00 C ATOM 39 OG1 THR A 3 -11.808 -1.262 5.427 1.00 0.00 O ATOM 40 CG2 THR A 3 -9.457 -1.408 5.942 1.00 0.00 C ATOM 0 H THR A 3 -12.142 -1.647 3.068 1.00 0.00 H new ATOM 0 HA THR A 3 -9.910 0.150 3.861 1.00 0.00 H new ATOM 0 HB THR A 3 -10.578 -2.726 4.663 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.003 -1.776 6.238 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.673 -1.980 6.845 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.493 -1.717 5.539 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.426 -0.346 6.184 1.00 0.00 H new ATOM 48 N PHE A 4 -8.399 -0.761 2.059 1.00 0.00 N ATOM 49 CA PHE A 4 -7.285 -1.347 1.250 1.00 0.00 C ATOM 50 C PHE A 4 -6.112 -1.709 2.167 1.00 0.00 C ATOM 51 O PHE A 4 -6.098 -1.357 3.332 1.00 0.00 O ATOM 52 CB PHE A 4 -6.875 -0.248 0.266 1.00 0.00 C ATOM 53 CG PHE A 4 -7.991 -0.008 -0.722 1.00 0.00 C ATOM 54 CD1 PHE A 4 -8.075 -0.784 -1.884 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.940 0.992 -0.478 1.00 0.00 C ATOM 56 CE1 PHE A 4 -9.108 -0.560 -2.802 1.00 0.00 C ATOM 57 CE2 PHE A 4 -9.973 1.216 -1.395 1.00 0.00 C ATOM 58 CZ PHE A 4 -10.057 0.440 -2.558 1.00 0.00 C ATOM 0 H PHE A 4 -8.525 0.246 1.955 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.586 -2.258 0.732 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.650 0.672 0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.966 -0.539 -0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.343 -1.555 -2.072 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.875 1.591 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.173 -1.159 -3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.705 1.987 -1.206 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.854 0.613 -3.266 1.00 0.00 H new ATOM 68 N LYS A 5 -5.131 -2.410 1.652 1.00 0.00 N ATOM 69 CA LYS A 5 -3.960 -2.795 2.498 1.00 0.00 C ATOM 70 C LYS A 5 -2.660 -2.704 1.692 1.00 0.00 C ATOM 71 O LYS A 5 -2.610 -3.073 0.535 1.00 0.00 O ATOM 72 CB LYS A 5 -4.232 -4.240 2.918 1.00 0.00 C ATOM 73 CG LYS A 5 -3.179 -4.684 3.936 1.00 0.00 C ATOM 74 CD LYS A 5 -3.740 -5.823 4.790 1.00 0.00 C ATOM 75 CE LYS A 5 -3.572 -7.150 4.048 1.00 0.00 C ATOM 76 NZ LYS A 5 -4.673 -8.015 4.555 1.00 0.00 N ATOM 0 H LYS A 5 -5.091 -2.731 0.685 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.841 -2.135 3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.229 -4.322 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.208 -4.894 2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.276 -5.013 3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.896 -3.845 4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.222 -5.862 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.794 -5.645 5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.644 -7.011 2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.597 -7.594 4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.625 -8.945 4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.575 -8.135 5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.589 -7.570 4.344 1.00 0.00 H new ATOM 90 N LEU A 6 -1.610 -2.215 2.303 1.00 0.00 N ATOM 91 CA LEU A 6 -0.303 -2.098 1.587 1.00 0.00 C ATOM 92 C LEU A 6 0.729 -3.034 2.226 1.00 0.00 C ATOM 93 O LEU A 6 1.040 -2.914 3.397 1.00 0.00 O ATOM 94 CB LEU A 6 0.115 -0.627 1.760 1.00 0.00 C ATOM 95 CG LEU A 6 1.535 -0.400 1.211 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.526 -0.516 -0.315 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.023 0.996 1.617 1.00 0.00 C ATOM 0 H LEU A 6 -1.602 -1.891 3.270 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.377 -2.376 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.590 0.021 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.079 -0.355 2.815 1.00 0.00 H new ATOM 0 HG LEU A 6 2.205 -1.154 1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.534 -0.354 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.184 -1.510 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.854 0.234 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.029 1.157 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.351 1.750 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.037 1.075 2.704 1.00 0.00 H new ATOM 109 N ILE A 7 1.279 -3.945 1.462 1.00 0.00 N ATOM 110 CA ILE A 7 2.311 -4.862 2.026 1.00 0.00 C ATOM 111 C ILE A 7 3.597 -4.056 2.266 1.00 0.00 C ATOM 112 O ILE A 7 3.731 -2.949 1.776 1.00 0.00 O ATOM 113 CB ILE A 7 2.486 -5.982 0.967 1.00 0.00 C ATOM 114 CG1 ILE A 7 2.916 -7.272 1.665 1.00 0.00 C ATOM 115 CG2 ILE A 7 3.536 -5.614 -0.094 1.00 0.00 C ATOM 116 CD1 ILE A 7 1.702 -7.922 2.331 1.00 0.00 C ATOM 0 H ILE A 7 1.058 -4.091 0.477 1.00 0.00 H new ATOM 0 HA ILE A 7 2.038 -5.304 2.984 1.00 0.00 H new ATOM 0 HB ILE A 7 1.529 -6.114 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.359 -7.958 0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.681 -7.057 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.625 -6.427 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.229 -4.704 -0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.499 -5.450 0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.009 -8.842 2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.279 -7.236 3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.952 -8.152 1.575 1.00 0.00 H new ATOM 128 N ILE A 8 4.535 -4.590 3.003 1.00 0.00 N ATOM 129 CA ILE A 8 5.796 -3.831 3.250 1.00 0.00 C ATOM 130 C ILE A 8 7.012 -4.691 2.898 1.00 0.00 C ATOM 131 O ILE A 8 7.735 -5.143 3.766 1.00 0.00 O ATOM 132 CB ILE A 8 5.783 -3.485 4.743 1.00 0.00 C ATOM 133 CG1 ILE A 8 4.519 -2.685 5.080 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.015 -2.642 5.078 1.00 0.00 C ATOM 135 CD1 ILE A 8 4.449 -2.443 6.591 1.00 0.00 C ATOM 0 H ILE A 8 4.484 -5.510 3.441 1.00 0.00 H new ATOM 0 HA ILE A 8 5.859 -2.933 2.635 1.00 0.00 H new ATOM 0 HB ILE A 8 5.795 -4.406 5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.527 -1.733 4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.634 -3.228 4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.009 -2.394 6.139 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.917 -3.207 4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.998 -1.724 4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.550 -1.874 6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.420 -3.400 7.112 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.327 -1.882 6.911 1.00 0.00 H new ATOM 147 N ASN A 9 7.251 -4.907 1.628 1.00 0.00 N ATOM 148 CA ASN A 9 8.434 -5.722 1.218 1.00 0.00 C ATOM 149 C ASN A 9 9.614 -4.788 0.941 1.00 0.00 C ATOM 150 O ASN A 9 10.269 -4.875 -0.080 1.00 0.00 O ATOM 151 CB ASN A 9 8.000 -6.460 -0.056 1.00 0.00 C ATOM 152 CG ASN A 9 7.880 -7.959 0.231 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.641 -8.504 1.006 1.00 0.00 O ATOM 154 ND2 ASN A 9 6.950 -8.652 -0.366 1.00 0.00 N ATOM 0 H ASN A 9 6.679 -4.555 0.860 1.00 0.00 H new ATOM 0 HA ASN A 9 8.751 -6.427 1.987 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.045 -6.069 -0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.725 -6.289 -0.852 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.861 -9.651 -0.182 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.311 -8.194 -1.016 1.00 0.00 H new ATOM 161 N GLY A 10 9.880 -3.891 1.854 1.00 0.00 N ATOM 162 CA GLY A 10 11.004 -2.932 1.672 1.00 0.00 C ATOM 163 C GLY A 10 12.067 -3.179 2.739 1.00 0.00 C ATOM 164 O GLY A 10 11.766 -3.596 3.842 1.00 0.00 O ATOM 0 H GLY A 10 9.360 -3.783 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.438 -3.049 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.636 -1.908 1.741 1.00 0.00 H new ATOM 168 N LYS A 11 13.307 -2.913 2.421 1.00 0.00 N ATOM 169 CA LYS A 11 14.399 -3.118 3.420 1.00 0.00 C ATOM 170 C LYS A 11 14.251 -2.130 4.585 1.00 0.00 C ATOM 171 O LYS A 11 14.882 -2.283 5.615 1.00 0.00 O ATOM 172 CB LYS A 11 15.699 -2.853 2.656 1.00 0.00 C ATOM 173 CG LYS A 11 16.901 -3.327 3.489 1.00 0.00 C ATOM 174 CD LYS A 11 17.879 -2.167 3.702 1.00 0.00 C ATOM 175 CE LYS A 11 18.645 -1.899 2.404 1.00 0.00 C ATOM 176 NZ LYS A 11 20.025 -1.546 2.839 1.00 0.00 N ATOM 0 H LYS A 11 13.611 -2.563 1.513 1.00 0.00 H new ATOM 0 HA LYS A 11 14.376 -4.120 3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.681 -3.374 1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.793 -1.789 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.560 -3.708 4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.404 -4.150 2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.337 -1.272 4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.576 -2.408 4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.647 -2.777 1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.190 -1.087 1.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 20.612 -1.348 2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 19.992 -0.703 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.435 -2.340 3.370 1.00 0.00 H new ATOM 190 N THR A 12 13.427 -1.116 4.434 1.00 0.00 N ATOM 191 CA THR A 12 13.248 -0.123 5.534 1.00 0.00 C ATOM 192 C THR A 12 12.199 -0.616 6.534 1.00 0.00 C ATOM 193 O THR A 12 12.333 -0.414 7.727 1.00 0.00 O ATOM 194 CB THR A 12 12.769 1.154 4.841 1.00 0.00 C ATOM 195 OG1 THR A 12 13.522 1.358 3.654 1.00 0.00 O ATOM 196 CG2 THR A 12 12.957 2.346 5.780 1.00 0.00 C ATOM 0 H THR A 12 12.874 -0.938 3.596 1.00 0.00 H new ATOM 0 HA THR A 12 14.168 0.037 6.096 1.00 0.00 H new ATOM 0 HB THR A 12 11.713 1.057 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.215 2.175 3.208 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.616 3.256 5.286 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.377 2.188 6.690 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.012 2.446 6.035 1.00 0.00 H new ATOM 204 N LEU A 13 11.155 -1.254 6.061 1.00 0.00 N ATOM 205 CA LEU A 13 10.098 -1.750 6.997 1.00 0.00 C ATOM 206 C LEU A 13 9.578 -3.120 6.552 1.00 0.00 C ATOM 207 O LEU A 13 9.879 -3.589 5.471 1.00 0.00 O ATOM 208 CB LEU A 13 8.986 -0.703 6.926 1.00 0.00 C ATOM 209 CG LEU A 13 9.283 0.422 7.920 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.536 1.688 7.498 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.822 0.000 9.317 1.00 0.00 C ATOM 0 H LEU A 13 10.990 -1.451 5.074 1.00 0.00 H new ATOM 0 HA LEU A 13 10.478 -1.878 8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.914 -0.301 5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.024 -1.162 7.156 1.00 0.00 H new ATOM 0 HG LEU A 13 10.355 0.621 7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.748 2.489 8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.863 1.988 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.464 1.490 7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.033 0.800 10.027 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.750 -0.199 9.302 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.354 -0.902 9.619 1.00 0.00 H new ATOM 223 N LYS A 14 8.796 -3.762 7.386 1.00 0.00 N ATOM 224 CA LYS A 14 8.245 -5.105 7.029 1.00 0.00 C ATOM 225 C LYS A 14 6.897 -5.326 7.726 1.00 0.00 C ATOM 226 O LYS A 14 6.709 -4.941 8.865 1.00 0.00 O ATOM 227 CB LYS A 14 9.282 -6.106 7.542 1.00 0.00 C ATOM 228 CG LYS A 14 10.159 -6.581 6.381 1.00 0.00 C ATOM 229 CD LYS A 14 11.428 -7.234 6.933 1.00 0.00 C ATOM 230 CE LYS A 14 11.183 -8.730 7.139 1.00 0.00 C ATOM 231 NZ LYS A 14 11.750 -9.382 5.926 1.00 0.00 N ATOM 0 H LYS A 14 8.515 -3.411 8.302 1.00 0.00 H new ATOM 0 HA LYS A 14 8.071 -5.209 5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.900 -5.642 8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.782 -6.957 8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.610 -7.293 5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.420 -5.739 5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.258 -7.082 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.709 -6.767 7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.671 -9.089 8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.120 -8.946 7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.620 -10.412 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.262 -9.025 5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.765 -9.165 5.857 1.00 0.00 H new ATOM 245 N GLY A 15 5.960 -5.945 7.049 1.00 0.00 N ATOM 246 CA GLY A 15 4.624 -6.196 7.666 1.00 0.00 C ATOM 247 C GLY A 15 3.521 -5.728 6.714 1.00 0.00 C ATOM 248 O GLY A 15 3.679 -5.753 5.507 1.00 0.00 O ATOM 0 H GLY A 15 6.065 -6.287 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.506 -7.258 7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.546 -5.668 8.616 1.00 0.00 H new ATOM 252 N GLU A 16 2.405 -5.301 7.250 1.00 0.00 N ATOM 253 CA GLU A 16 1.282 -4.828 6.385 1.00 0.00 C ATOM 254 C GLU A 16 0.551 -3.657 7.053 1.00 0.00 C ATOM 255 O GLU A 16 0.648 -3.457 8.250 1.00 0.00 O ATOM 256 CB GLU A 16 0.350 -6.037 6.237 1.00 0.00 C ATOM 257 CG GLU A 16 -0.128 -6.503 7.617 1.00 0.00 C ATOM 258 CD GLU A 16 -1.127 -7.650 7.453 1.00 0.00 C ATOM 259 OE1 GLU A 16 -0.739 -8.674 6.914 1.00 0.00 O ATOM 260 OE2 GLU A 16 -2.262 -7.485 7.868 1.00 0.00 O ATOM 0 H GLU A 16 2.223 -5.260 8.253 1.00 0.00 H new ATOM 0 HA GLU A 16 1.633 -4.468 5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.506 -5.773 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.872 -6.849 5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.722 -6.830 8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.594 -5.675 8.151 1.00 0.00 H new ATOM 267 N THR A 17 -0.177 -2.886 6.286 1.00 0.00 N ATOM 268 CA THR A 17 -0.919 -1.726 6.865 1.00 0.00 C ATOM 269 C THR A 17 -2.217 -1.488 6.089 1.00 0.00 C ATOM 270 O THR A 17 -2.289 -1.725 4.898 1.00 0.00 O ATOM 271 CB THR A 17 0.026 -0.534 6.707 1.00 0.00 C ATOM 272 OG1 THR A 17 1.338 -0.917 7.095 1.00 0.00 O ATOM 273 CG2 THR A 17 -0.452 0.622 7.586 1.00 0.00 C ATOM 0 H THR A 17 -0.290 -3.011 5.280 1.00 0.00 H new ATOM 0 HA THR A 17 -1.197 -1.891 7.906 1.00 0.00 H new ATOM 0 HB THR A 17 0.034 -0.213 5.665 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.945 -0.154 6.993 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.223 1.470 7.471 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.458 0.916 7.285 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.463 0.306 8.629 1.00 0.00 H new ATOM 281 N THR A 18 -3.241 -1.019 6.757 1.00 0.00 N ATOM 282 CA THR A 18 -4.540 -0.762 6.066 1.00 0.00 C ATOM 283 C THR A 18 -4.911 0.721 6.170 1.00 0.00 C ATOM 284 O THR A 18 -4.279 1.477 6.884 1.00 0.00 O ATOM 285 CB THR A 18 -5.562 -1.622 6.809 1.00 0.00 C ATOM 286 OG1 THR A 18 -5.567 -1.265 8.185 1.00 0.00 O ATOM 287 CG2 THR A 18 -5.192 -3.099 6.664 1.00 0.00 C ATOM 0 H THR A 18 -3.232 -0.803 7.754 1.00 0.00 H new ATOM 0 HA THR A 18 -4.497 -1.005 5.004 1.00 0.00 H new ATOM 0 HB THR A 18 -6.553 -1.456 6.386 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.223 -1.814 8.663 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.922 -3.711 7.194 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.189 -3.371 5.609 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.201 -3.269 7.086 1.00 0.00 H new ATOM 295 N THR A 19 -5.932 1.138 5.465 1.00 0.00 N ATOM 296 CA THR A 19 -6.353 2.571 5.521 1.00 0.00 C ATOM 297 C THR A 19 -7.880 2.681 5.460 1.00 0.00 C ATOM 298 O THR A 19 -8.586 1.693 5.549 1.00 0.00 O ATOM 299 CB THR A 19 -5.712 3.232 4.294 1.00 0.00 C ATOM 300 OG1 THR A 19 -6.077 4.605 4.256 1.00 0.00 O ATOM 301 CG2 THR A 19 -6.193 2.542 3.013 1.00 0.00 C ATOM 0 H THR A 19 -6.493 0.547 4.852 1.00 0.00 H new ATOM 0 HA THR A 19 -6.039 3.053 6.447 1.00 0.00 H new ATOM 0 HB THR A 19 -4.628 3.139 4.363 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.668 5.031 3.474 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.732 3.019 2.148 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.912 1.489 3.039 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.277 2.627 2.939 1.00 0.00 H new ATOM 309 N GLU A 20 -8.389 3.876 5.306 1.00 0.00 N ATOM 310 CA GLU A 20 -9.869 4.065 5.234 1.00 0.00 C ATOM 311 C GLU A 20 -10.239 4.851 3.973 1.00 0.00 C ATOM 312 O GLU A 20 -10.325 6.064 3.993 1.00 0.00 O ATOM 313 CB GLU A 20 -10.227 4.862 6.489 1.00 0.00 C ATOM 314 CG GLU A 20 -9.895 4.036 7.735 1.00 0.00 C ATOM 315 CD GLU A 20 -8.521 4.442 8.270 1.00 0.00 C ATOM 316 OE1 GLU A 20 -8.445 5.459 8.940 1.00 0.00 O ATOM 317 OE2 GLU A 20 -7.567 3.730 8.001 1.00 0.00 O ATOM 0 H GLU A 20 -7.841 4.733 5.227 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.406 3.118 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.674 5.801 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.287 5.116 6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.655 4.193 8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.902 2.974 7.492 1.00 0.00 H new ATOM 324 N ALA A 21 -10.455 4.166 2.879 1.00 0.00 N ATOM 325 CA ALA A 21 -10.818 4.865 1.609 1.00 0.00 C ATOM 326 C ALA A 21 -12.049 4.210 0.975 1.00 0.00 C ATOM 327 O ALA A 21 -12.168 3.000 0.939 1.00 0.00 O ATOM 328 CB ALA A 21 -9.595 4.700 0.705 1.00 0.00 C ATOM 0 H ALA A 21 -10.395 3.150 2.810 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.068 5.914 1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.781 5.188 -0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.727 5.155 1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.404 3.639 0.541 1.00 0.00 H new ATOM 334 N VAL A 22 -12.963 5.003 0.475 1.00 0.00 N ATOM 335 CA VAL A 22 -14.189 4.439 -0.159 1.00 0.00 C ATOM 336 C VAL A 22 -13.817 3.533 -1.341 1.00 0.00 C ATOM 337 O VAL A 22 -14.556 2.635 -1.698 1.00 0.00 O ATOM 338 CB VAL A 22 -14.990 5.656 -0.632 1.00 0.00 C ATOM 339 CG1 VAL A 22 -15.373 6.520 0.572 1.00 0.00 C ATOM 340 CG2 VAL A 22 -14.155 6.490 -1.611 1.00 0.00 C ATOM 0 H VAL A 22 -12.910 6.022 0.480 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.762 3.822 0.533 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.892 5.310 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.943 7.385 0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.980 5.934 1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.469 6.857 1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.735 7.352 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.246 6.831 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.890 5.880 -2.474 1.00 0.00 H new ATOM 350 N ASP A 23 -12.674 3.758 -1.944 1.00 0.00 N ATOM 351 CA ASP A 23 -12.248 2.907 -3.100 1.00 0.00 C ATOM 352 C ASP A 23 -10.797 3.214 -3.483 1.00 0.00 C ATOM 353 O ASP A 23 -10.150 4.051 -2.881 1.00 0.00 O ATOM 354 CB ASP A 23 -13.199 3.258 -4.255 1.00 0.00 C ATOM 355 CG ASP A 23 -13.192 4.770 -4.526 1.00 0.00 C ATOM 356 OD1 ASP A 23 -12.219 5.419 -4.177 1.00 0.00 O ATOM 357 OD2 ASP A 23 -14.165 5.253 -5.081 1.00 0.00 O ATOM 0 H ASP A 23 -12.018 4.495 -1.685 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.295 1.846 -2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.899 2.721 -5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.210 2.932 -4.011 1.00 0.00 H new ATOM 362 N ALA A 24 -10.283 2.541 -4.484 1.00 0.00 N ATOM 363 CA ALA A 24 -8.873 2.782 -4.920 1.00 0.00 C ATOM 364 C ALA A 24 -8.646 4.265 -5.243 1.00 0.00 C ATOM 365 O ALA A 24 -7.531 4.749 -5.211 1.00 0.00 O ATOM 366 CB ALA A 24 -8.689 1.930 -6.178 1.00 0.00 C ATOM 0 H ALA A 24 -10.783 1.832 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.161 2.520 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.675 2.055 -6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.859 0.881 -5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.402 2.246 -6.939 1.00 0.00 H new ATOM 372 N ALA A 25 -9.697 4.991 -5.552 1.00 0.00 N ATOM 373 CA ALA A 25 -9.543 6.448 -5.875 1.00 0.00 C ATOM 374 C ALA A 25 -8.847 7.175 -4.719 1.00 0.00 C ATOM 375 O ALA A 25 -7.939 7.959 -4.925 1.00 0.00 O ATOM 376 CB ALA A 25 -10.968 6.975 -6.057 1.00 0.00 C ATOM 0 H ALA A 25 -10.653 4.638 -5.594 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.936 6.608 -6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.935 8.038 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.455 6.435 -6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.531 6.828 -5.135 1.00 0.00 H new ATOM 382 N THR A 26 -9.261 6.907 -3.507 1.00 0.00 N ATOM 383 CA THR A 26 -8.621 7.563 -2.330 1.00 0.00 C ATOM 384 C THR A 26 -7.389 6.762 -1.905 1.00 0.00 C ATOM 385 O THR A 26 -6.418 7.310 -1.420 1.00 0.00 O ATOM 386 CB THR A 26 -9.685 7.544 -1.232 1.00 0.00 C ATOM 387 OG1 THR A 26 -10.861 8.189 -1.704 1.00 0.00 O ATOM 388 CG2 THR A 26 -9.160 8.276 0.003 1.00 0.00 C ATOM 0 H THR A 26 -10.017 6.260 -3.283 1.00 0.00 H new ATOM 0 HA THR A 26 -8.289 8.578 -2.545 1.00 0.00 H new ATOM 0 HB THR A 26 -9.917 6.512 -0.968 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.545 8.176 -1.002 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.919 8.262 0.785 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.259 7.781 0.364 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.927 9.308 -0.258 1.00 0.00 H new ATOM 396 N ALA A 27 -7.424 5.466 -2.097 1.00 0.00 N ATOM 397 CA ALA A 27 -6.253 4.616 -1.719 1.00 0.00 C ATOM 398 C ALA A 27 -5.032 5.029 -2.542 1.00 0.00 C ATOM 399 O ALA A 27 -5.093 5.957 -3.320 1.00 0.00 O ATOM 400 CB ALA A 27 -6.668 3.181 -2.056 1.00 0.00 C ATOM 0 H ALA A 27 -8.213 4.960 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.987 4.719 -0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.856 2.499 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.556 2.915 -1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.888 3.106 -3.121 1.00 0.00 H new ATOM 406 N GLU A 28 -3.923 4.339 -2.380 1.00 0.00 N ATOM 407 CA GLU A 28 -2.669 4.676 -3.147 1.00 0.00 C ATOM 408 C GLU A 28 -2.121 6.044 -2.719 1.00 0.00 C ATOM 409 O GLU A 28 -1.021 6.138 -2.216 1.00 0.00 O ATOM 410 CB GLU A 28 -3.054 4.679 -4.635 1.00 0.00 C ATOM 411 CG GLU A 28 -1.806 4.436 -5.486 1.00 0.00 C ATOM 412 CD GLU A 28 -2.145 4.650 -6.962 1.00 0.00 C ATOM 413 OE1 GLU A 28 -3.163 4.137 -7.396 1.00 0.00 O ATOM 414 OE2 GLU A 28 -1.381 5.325 -7.633 1.00 0.00 O ATOM 0 H GLU A 28 -3.830 3.548 -1.743 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.882 3.948 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.797 3.906 -4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.509 5.633 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.009 5.115 -5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.438 3.422 -5.330 1.00 0.00 H new ATOM 421 N LYS A 29 -2.871 7.103 -2.909 1.00 0.00 N ATOM 422 CA LYS A 29 -2.381 8.461 -2.502 1.00 0.00 C ATOM 423 C LYS A 29 -1.996 8.464 -1.017 1.00 0.00 C ATOM 424 O LYS A 29 -1.066 9.135 -0.608 1.00 0.00 O ATOM 425 CB LYS A 29 -3.558 9.407 -2.749 1.00 0.00 C ATOM 426 CG LYS A 29 -3.879 9.446 -4.245 1.00 0.00 C ATOM 427 CD LYS A 29 -5.350 9.817 -4.442 1.00 0.00 C ATOM 428 CE LYS A 29 -5.713 9.695 -5.923 1.00 0.00 C ATOM 429 NZ LYS A 29 -5.315 10.998 -6.524 1.00 0.00 N ATOM 0 H LYS A 29 -3.801 7.087 -3.328 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.495 8.760 -3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.431 9.072 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.314 10.408 -2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.239 10.173 -4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.674 8.476 -4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.984 9.161 -3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.529 10.835 -4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.184 8.866 -6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.779 9.509 -6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.533 10.992 -7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.840 11.768 -6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.294 11.145 -6.389 1.00 0.00 H new ATOM 443 N VAL A 30 -2.703 7.710 -0.214 1.00 0.00 N ATOM 444 CA VAL A 30 -2.385 7.651 1.244 1.00 0.00 C ATOM 445 C VAL A 30 -1.258 6.643 1.488 1.00 0.00 C ATOM 446 O VAL A 30 -0.282 6.941 2.151 1.00 0.00 O ATOM 447 CB VAL A 30 -3.685 7.192 1.915 1.00 0.00 C ATOM 448 CG1 VAL A 30 -3.470 7.041 3.424 1.00 0.00 C ATOM 449 CG2 VAL A 30 -4.780 8.231 1.663 1.00 0.00 C ATOM 0 H VAL A 30 -3.490 7.131 -0.507 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.046 8.608 1.640 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.983 6.231 1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.398 6.715 3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.691 6.301 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.168 7.999 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.705 7.907 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.474 9.191 2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.941 8.337 0.590 1.00 0.00 H new ATOM 459 N PHE A 31 -1.387 5.454 0.953 1.00 0.00 N ATOM 460 CA PHE A 31 -0.322 4.424 1.149 1.00 0.00 C ATOM 461 C PHE A 31 0.981 4.904 0.512 1.00 0.00 C ATOM 462 O PHE A 31 2.060 4.635 1.004 1.00 0.00 O ATOM 463 CB PHE A 31 -0.830 3.165 0.440 1.00 0.00 C ATOM 464 CG PHE A 31 -1.735 2.377 1.364 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.324 2.076 2.671 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.984 1.944 0.908 1.00 0.00 C ATOM 467 CE1 PHE A 31 -2.164 1.344 3.517 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.823 1.211 1.755 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.413 0.911 3.059 1.00 0.00 C ATOM 0 H PHE A 31 -2.183 5.153 0.390 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.122 4.235 2.204 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.372 3.441 -0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.013 2.547 0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.359 2.409 3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.301 2.175 -0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.848 1.113 4.524 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.787 0.877 1.402 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.061 0.345 3.712 1.00 0.00 H new ATOM 479 N LYS A 32 0.881 5.620 -0.578 1.00 0.00 N ATOM 480 CA LYS A 32 2.107 6.133 -1.255 1.00 0.00 C ATOM 481 C LYS A 32 2.832 7.106 -0.323 1.00 0.00 C ATOM 482 O LYS A 32 4.043 7.090 -0.211 1.00 0.00 O ATOM 483 CB LYS A 32 1.611 6.857 -2.508 1.00 0.00 C ATOM 484 CG LYS A 32 2.809 7.364 -3.312 1.00 0.00 C ATOM 485 CD LYS A 32 2.454 7.384 -4.800 1.00 0.00 C ATOM 486 CE LYS A 32 1.423 8.484 -5.064 1.00 0.00 C ATOM 487 NZ LYS A 32 1.031 8.310 -6.490 1.00 0.00 N ATOM 0 H LYS A 32 0.001 5.871 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 32 2.807 5.337 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.010 6.182 -3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.968 7.691 -2.228 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.086 8.365 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.673 6.721 -3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.350 7.560 -5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.054 6.416 -5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.562 8.385 -4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.847 9.473 -4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.325 9.029 -6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.869 8.416 -7.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.624 7.362 -6.625 1.00 0.00 H new ATOM 501 N GLN A 33 2.089 7.946 0.358 1.00 0.00 N ATOM 502 CA GLN A 33 2.720 8.918 1.302 1.00 0.00 C ATOM 503 C GLN A 33 3.430 8.158 2.418 1.00 0.00 C ATOM 504 O GLN A 33 4.464 8.567 2.913 1.00 0.00 O ATOM 505 CB GLN A 33 1.564 9.751 1.864 1.00 0.00 C ATOM 506 CG GLN A 33 2.122 10.891 2.718 1.00 0.00 C ATOM 507 CD GLN A 33 2.665 11.993 1.807 1.00 0.00 C ATOM 508 OE1 GLN A 33 1.967 12.479 0.939 1.00 0.00 O ATOM 509 NE2 GLN A 33 3.890 12.412 1.969 1.00 0.00 N ATOM 0 H GLN A 33 1.072 7.999 0.300 1.00 0.00 H new ATOM 0 HA GLN A 33 3.463 9.549 0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.963 10.154 1.049 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.907 9.122 2.464 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.341 11.291 3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.914 10.519 3.368 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.476 12.004 2.697 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.261 13.147 1.367 1.00 0.00 H new ATOM 518 N TYR A 34 2.880 7.042 2.795 1.00 0.00 N ATOM 519 CA TYR A 34 3.503 6.206 3.865 1.00 0.00 C ATOM 520 C TYR A 34 4.823 5.627 3.332 1.00 0.00 C ATOM 521 O TYR A 34 5.860 5.743 3.957 1.00 0.00 O ATOM 522 CB TYR A 34 2.452 5.109 4.158 1.00 0.00 C ATOM 523 CG TYR A 34 3.087 3.878 4.773 1.00 0.00 C ATOM 524 CD1 TYR A 34 3.320 3.826 6.149 1.00 0.00 C ATOM 525 CD2 TYR A 34 3.441 2.797 3.959 1.00 0.00 C ATOM 526 CE1 TYR A 34 3.910 2.690 6.716 1.00 0.00 C ATOM 527 CE2 TYR A 34 4.030 1.660 4.522 1.00 0.00 C ATOM 528 CZ TYR A 34 4.265 1.606 5.902 1.00 0.00 C ATOM 529 OH TYR A 34 4.847 0.485 6.459 1.00 0.00 O ATOM 0 H TYR A 34 2.016 6.665 2.406 1.00 0.00 H new ATOM 0 HA TYR A 34 3.750 6.754 4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.692 5.503 4.833 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.945 4.834 3.233 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.045 4.662 6.775 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.259 2.840 2.895 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.091 2.649 7.780 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.303 0.825 3.894 1.00 0.00 H new ATOM 0 HH TYR A 34 4.528 0.374 7.379 1.00 0.00 H new ATOM 539 N ALA A 35 4.778 5.009 2.182 1.00 0.00 N ATOM 540 CA ALA A 35 6.017 4.418 1.594 1.00 0.00 C ATOM 541 C ALA A 35 6.981 5.530 1.173 1.00 0.00 C ATOM 542 O ALA A 35 8.152 5.500 1.497 1.00 0.00 O ATOM 543 CB ALA A 35 5.545 3.628 0.374 1.00 0.00 C ATOM 0 H ALA A 35 3.934 4.887 1.622 1.00 0.00 H new ATOM 0 HA ALA A 35 6.549 3.785 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.403 3.163 -0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.844 2.855 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.051 4.301 -0.327 1.00 0.00 H new ATOM 549 N ASN A 36 6.495 6.512 0.452 1.00 0.00 N ATOM 550 CA ASN A 36 7.378 7.633 0.004 1.00 0.00 C ATOM 551 C ASN A 36 8.059 8.290 1.210 1.00 0.00 C ATOM 552 O ASN A 36 9.157 8.803 1.111 1.00 0.00 O ATOM 553 CB ASN A 36 6.448 8.629 -0.693 1.00 0.00 C ATOM 554 CG ASN A 36 7.279 9.594 -1.541 1.00 0.00 C ATOM 555 OD1 ASN A 36 8.149 9.177 -2.281 1.00 0.00 O ATOM 556 ND2 ASN A 36 7.049 10.876 -1.465 1.00 0.00 N ATOM 0 H ASN A 36 5.522 6.585 0.154 1.00 0.00 H new ATOM 0 HA ASN A 36 8.170 7.286 -0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.734 8.097 -1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.870 9.183 0.047 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.599 11.527 -2.026 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.319 11.227 -0.845 1.00 0.00 H new ATOM 563 N ASP A 37 7.411 8.267 2.347 1.00 0.00 N ATOM 564 CA ASP A 37 8.013 8.880 3.571 1.00 0.00 C ATOM 565 C ASP A 37 9.254 8.090 3.990 1.00 0.00 C ATOM 566 O ASP A 37 10.256 8.655 4.387 1.00 0.00 O ATOM 567 CB ASP A 37 6.927 8.784 4.646 1.00 0.00 C ATOM 568 CG ASP A 37 6.164 10.107 4.724 1.00 0.00 C ATOM 569 OD1 ASP A 37 5.889 10.673 3.679 1.00 0.00 O ATOM 570 OD2 ASP A 37 5.866 10.532 5.828 1.00 0.00 O ATOM 0 H ASP A 37 6.490 7.850 2.481 1.00 0.00 H new ATOM 0 HA ASP A 37 8.326 9.911 3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.241 7.970 4.412 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.377 8.554 5.612 1.00 0.00 H new ATOM 575 N ASN A 38 9.192 6.786 3.899 1.00 0.00 N ATOM 576 CA ASN A 38 10.364 5.944 4.284 1.00 0.00 C ATOM 577 C ASN A 38 11.278 5.735 3.074 1.00 0.00 C ATOM 578 O ASN A 38 12.486 5.840 3.172 1.00 0.00 O ATOM 579 CB ASN A 38 9.765 4.613 4.737 1.00 0.00 C ATOM 580 CG ASN A 38 9.401 4.695 6.221 1.00 0.00 C ATOM 581 OD1 ASN A 38 9.972 4.000 7.038 1.00 0.00 O ATOM 582 ND2 ASN A 38 8.467 5.521 6.606 1.00 0.00 N ATOM 0 H ASN A 38 8.377 6.267 3.573 1.00 0.00 H new ATOM 0 HA ASN A 38 10.967 6.406 5.066 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.878 4.381 4.147 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.478 3.806 4.571 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.216 5.583 7.593 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.988 6.104 5.920 1.00 0.00 H new ATOM 589 N GLY A 39 10.704 5.445 1.934 1.00 0.00 N ATOM 590 CA GLY A 39 11.526 5.232 0.708 1.00 0.00 C ATOM 591 C GLY A 39 11.216 3.861 0.101 1.00 0.00 C ATOM 592 O GLY A 39 12.100 3.180 -0.385 1.00 0.00 O ATOM 0 H GLY A 39 9.698 5.347 1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.318 6.016 -0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.586 5.298 0.955 1.00 0.00 H new ATOM 596 N ILE A 40 9.970 3.452 0.118 1.00 0.00 N ATOM 597 CA ILE A 40 9.607 2.126 -0.467 1.00 0.00 C ATOM 598 C ILE A 40 9.178 2.300 -1.928 1.00 0.00 C ATOM 599 O ILE A 40 8.044 2.044 -2.286 1.00 0.00 O ATOM 600 CB ILE A 40 8.448 1.601 0.398 1.00 0.00 C ATOM 601 CG1 ILE A 40 8.967 1.347 1.818 1.00 0.00 C ATOM 602 CG2 ILE A 40 7.899 0.288 -0.187 1.00 0.00 C ATOM 603 CD1 ILE A 40 7.809 0.937 2.733 1.00 0.00 C ATOM 0 H ILE A 40 9.191 3.980 0.512 1.00 0.00 H new ATOM 0 HA ILE A 40 10.444 1.427 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 40 7.647 2.340 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.724 0.563 1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.447 2.246 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.079 -0.073 0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.536 0.465 -1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.692 -0.459 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.186 0.758 3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.067 1.735 2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.349 0.026 2.351 1.00 0.00 H new ATOM 615 N ASP A 41 10.084 2.717 -2.774 1.00 0.00 N ATOM 616 CA ASP A 41 9.745 2.888 -4.217 1.00 0.00 C ATOM 617 C ASP A 41 9.984 1.564 -4.945 1.00 0.00 C ATOM 618 O ASP A 41 10.720 1.495 -5.911 1.00 0.00 O ATOM 619 CB ASP A 41 10.699 3.969 -4.727 1.00 0.00 C ATOM 620 CG ASP A 41 10.299 5.323 -4.137 1.00 0.00 C ATOM 621 OD1 ASP A 41 10.149 5.399 -2.929 1.00 0.00 O ATOM 622 OD2 ASP A 41 10.150 6.260 -4.904 1.00 0.00 O ATOM 0 H ASP A 41 11.046 2.947 -2.526 1.00 0.00 H new ATOM 0 HA ASP A 41 8.705 3.170 -4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.724 3.726 -4.446 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.669 4.012 -5.816 1.00 0.00 H new ATOM 627 N GLY A 42 9.375 0.510 -4.467 1.00 0.00 N ATOM 628 CA GLY A 42 9.562 -0.827 -5.094 1.00 0.00 C ATOM 629 C GLY A 42 8.672 -0.961 -6.326 1.00 0.00 C ATOM 630 O GLY A 42 8.557 -0.054 -7.127 1.00 0.00 O ATOM 0 H GLY A 42 8.750 0.521 -3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.607 -0.962 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.321 -1.610 -4.376 1.00 0.00 H new ATOM 634 N GLU A 43 8.037 -2.094 -6.469 1.00 0.00 N ATOM 635 CA GLU A 43 7.141 -2.318 -7.627 1.00 0.00 C ATOM 636 C GLU A 43 5.709 -2.453 -7.128 1.00 0.00 C ATOM 637 O GLU A 43 5.321 -3.474 -6.591 1.00 0.00 O ATOM 638 CB GLU A 43 7.622 -3.619 -8.270 1.00 0.00 C ATOM 639 CG GLU A 43 8.951 -3.375 -8.988 1.00 0.00 C ATOM 640 CD GLU A 43 8.683 -3.012 -10.450 1.00 0.00 C ATOM 641 OE1 GLU A 43 8.218 -3.874 -11.178 1.00 0.00 O ATOM 642 OE2 GLU A 43 8.946 -1.879 -10.817 1.00 0.00 O ATOM 0 H GLU A 43 8.106 -2.879 -5.822 1.00 0.00 H new ATOM 0 HA GLU A 43 7.163 -1.497 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.744 -4.389 -7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.877 -3.985 -8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.499 -2.571 -8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.576 -4.267 -8.932 1.00 0.00 H new ATOM 649 N TRP A 44 4.934 -1.414 -7.270 1.00 0.00 N ATOM 650 CA TRP A 44 3.538 -1.449 -6.773 1.00 0.00 C ATOM 651 C TRP A 44 2.631 -2.292 -7.661 1.00 0.00 C ATOM 652 O TRP A 44 2.726 -2.287 -8.873 1.00 0.00 O ATOM 653 CB TRP A 44 3.077 0.002 -6.758 1.00 0.00 C ATOM 654 CG TRP A 44 3.740 0.683 -5.615 1.00 0.00 C ATOM 655 CD1 TRP A 44 5.056 0.989 -5.556 1.00 0.00 C ATOM 656 CD2 TRP A 44 3.156 1.123 -4.358 1.00 0.00 C ATOM 657 NE1 TRP A 44 5.316 1.595 -4.341 1.00 0.00 N ATOM 658 CE2 TRP A 44 4.176 1.699 -3.568 1.00 0.00 C ATOM 659 CE3 TRP A 44 1.852 1.081 -3.833 1.00 0.00 C ATOM 660 CZ2 TRP A 44 3.914 2.212 -2.301 1.00 0.00 C ATOM 661 CZ3 TRP A 44 1.584 1.600 -2.556 1.00 0.00 C ATOM 662 CH2 TRP A 44 2.614 2.163 -1.791 1.00 0.00 C ATOM 0 H TRP A 44 5.213 -0.538 -7.712 1.00 0.00 H new ATOM 0 HA TRP A 44 3.490 -1.909 -5.786 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.335 0.493 -7.696 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.993 0.056 -6.657 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.783 0.792 -6.330 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.237 1.925 -4.051 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.052 0.647 -4.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.711 2.646 -1.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.579 1.565 -2.162 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.403 2.559 -0.808 1.00 0.00 H new ATOM 673 N THR A 45 1.732 -2.994 -7.038 1.00 0.00 N ATOM 674 CA THR A 45 0.762 -3.838 -7.778 1.00 0.00 C ATOM 675 C THR A 45 -0.493 -3.972 -6.924 1.00 0.00 C ATOM 676 O THR A 45 -0.421 -4.251 -5.741 1.00 0.00 O ATOM 677 CB THR A 45 1.439 -5.193 -7.968 1.00 0.00 C ATOM 678 OG1 THR A 45 2.121 -5.555 -6.777 1.00 0.00 O ATOM 679 CG2 THR A 45 2.436 -5.110 -9.125 1.00 0.00 C ATOM 0 H THR A 45 1.627 -3.018 -6.024 1.00 0.00 H new ATOM 0 HA THR A 45 0.479 -3.418 -8.743 1.00 0.00 H new ATOM 0 HB THR A 45 0.684 -5.946 -8.195 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.554 -6.426 -6.900 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.919 -6.078 -9.260 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.910 -4.837 -10.040 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.191 -4.356 -8.901 1.00 0.00 H new ATOM 687 N TYR A 46 -1.633 -3.749 -7.506 1.00 0.00 N ATOM 688 CA TYR A 46 -2.900 -3.829 -6.727 1.00 0.00 C ATOM 689 C TYR A 46 -3.675 -5.096 -7.119 1.00 0.00 C ATOM 690 O TYR A 46 -4.147 -5.226 -8.233 1.00 0.00 O ATOM 691 CB TYR A 46 -3.645 -2.536 -7.116 1.00 0.00 C ATOM 692 CG TYR A 46 -5.119 -2.606 -6.771 1.00 0.00 C ATOM 693 CD1 TYR A 46 -6.024 -3.129 -7.701 1.00 0.00 C ATOM 694 CD2 TYR A 46 -5.580 -2.133 -5.536 1.00 0.00 C ATOM 695 CE1 TYR A 46 -7.389 -3.179 -7.399 1.00 0.00 C ATOM 696 CE2 TYR A 46 -6.943 -2.186 -5.232 1.00 0.00 C ATOM 697 CZ TYR A 46 -7.849 -2.708 -6.165 1.00 0.00 C ATOM 698 OH TYR A 46 -9.196 -2.755 -5.872 1.00 0.00 O ATOM 0 H TYR A 46 -1.745 -3.513 -8.492 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.757 -3.899 -5.649 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.192 -1.688 -6.602 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.531 -2.359 -8.185 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.668 -3.494 -8.653 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.882 -1.727 -4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.087 -3.581 -8.118 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.298 -1.825 -4.278 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.529 -1.846 -5.717 1.00 0.00 H new ATOM 708 N ASP A 47 -3.807 -6.022 -6.204 1.00 0.00 N ATOM 709 CA ASP A 47 -4.551 -7.279 -6.505 1.00 0.00 C ATOM 710 C ASP A 47 -6.043 -7.082 -6.225 1.00 0.00 C ATOM 711 O ASP A 47 -6.443 -6.809 -5.108 1.00 0.00 O ATOM 712 CB ASP A 47 -3.961 -8.328 -5.562 1.00 0.00 C ATOM 713 CG ASP A 47 -2.861 -9.106 -6.286 1.00 0.00 C ATOM 714 OD1 ASP A 47 -3.187 -10.076 -6.950 1.00 0.00 O ATOM 715 OD2 ASP A 47 -1.711 -8.718 -6.165 1.00 0.00 O ATOM 0 H ASP A 47 -3.430 -5.960 -5.258 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.457 -7.577 -7.549 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.555 -7.845 -4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.742 -9.010 -5.226 1.00 0.00 H new ATOM 720 N ASP A 48 -6.863 -7.218 -7.235 1.00 0.00 N ATOM 721 CA ASP A 48 -8.336 -7.041 -7.043 1.00 0.00 C ATOM 722 C ASP A 48 -8.909 -8.198 -6.216 1.00 0.00 C ATOM 723 O ASP A 48 -9.947 -8.069 -5.595 1.00 0.00 O ATOM 724 CB ASP A 48 -8.930 -7.047 -8.453 1.00 0.00 C ATOM 725 CG ASP A 48 -10.261 -6.295 -8.450 1.00 0.00 C ATOM 726 OD1 ASP A 48 -10.349 -5.288 -7.767 1.00 0.00 O ATOM 727 OD2 ASP A 48 -11.171 -6.738 -9.131 1.00 0.00 O ATOM 0 H ASP A 48 -6.576 -7.445 -8.187 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.570 -6.121 -6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.238 -6.579 -9.153 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.080 -8.072 -8.791 1.00 0.00 H new ATOM 732 N ALA A 49 -8.243 -9.329 -6.208 1.00 0.00 N ATOM 733 CA ALA A 49 -8.745 -10.505 -5.430 1.00 0.00 C ATOM 734 C ALA A 49 -9.035 -10.118 -3.973 1.00 0.00 C ATOM 735 O ALA A 49 -9.983 -10.592 -3.376 1.00 0.00 O ATOM 736 CB ALA A 49 -7.619 -11.539 -5.492 1.00 0.00 C ATOM 0 H ALA A 49 -7.369 -9.488 -6.710 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.679 -10.888 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.915 -12.432 -4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.423 -11.801 -6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.716 -11.121 -5.047 1.00 0.00 H new ATOM 742 N THR A 50 -8.225 -9.261 -3.401 1.00 0.00 N ATOM 743 CA THR A 50 -8.453 -8.843 -1.984 1.00 0.00 C ATOM 744 C THR A 50 -8.083 -7.366 -1.776 1.00 0.00 C ATOM 745 O THR A 50 -7.949 -6.911 -0.656 1.00 0.00 O ATOM 746 CB THR A 50 -7.533 -9.742 -1.155 1.00 0.00 C ATOM 747 OG1 THR A 50 -6.189 -9.561 -1.579 1.00 0.00 O ATOM 748 CG2 THR A 50 -7.938 -11.204 -1.344 1.00 0.00 C ATOM 0 H THR A 50 -7.417 -8.834 -3.854 1.00 0.00 H new ATOM 0 HA THR A 50 -9.500 -8.942 -1.699 1.00 0.00 H new ATOM 0 HB THR A 50 -7.620 -9.478 -0.101 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.826 -8.745 -1.175 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.282 -11.843 -0.753 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.969 -11.341 -1.017 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.853 -11.472 -2.397 1.00 0.00 H new ATOM 756 N LYS A 51 -7.917 -6.609 -2.841 1.00 0.00 N ATOM 757 CA LYS A 51 -7.558 -5.157 -2.701 1.00 0.00 C ATOM 758 C LYS A 51 -6.350 -4.981 -1.771 1.00 0.00 C ATOM 759 O LYS A 51 -6.501 -4.772 -0.580 1.00 0.00 O ATOM 760 CB LYS A 51 -8.802 -4.490 -2.098 1.00 0.00 C ATOM 761 CG LYS A 51 -9.471 -3.605 -3.150 1.00 0.00 C ATOM 762 CD LYS A 51 -10.333 -4.473 -4.070 1.00 0.00 C ATOM 763 CE LYS A 51 -11.516 -3.653 -4.589 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.584 -3.829 -3.566 1.00 0.00 N ATOM 0 H LYS A 51 -8.015 -6.936 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.281 -4.716 -3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.501 -5.250 -1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.522 -3.893 -1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.086 -2.847 -2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.715 -3.078 -3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.736 -4.839 -4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.693 -5.348 -3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.248 -2.603 -4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.843 -4.007 -5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.430 -3.295 -3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.823 -4.838 -3.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.246 -3.477 -2.648 1.00 0.00 H new ATOM 778 N THR A 52 -5.158 -5.066 -2.305 1.00 0.00 N ATOM 779 CA THR A 52 -3.946 -4.908 -1.447 1.00 0.00 C ATOM 780 C THR A 52 -2.762 -4.387 -2.264 1.00 0.00 C ATOM 781 O THR A 52 -2.173 -5.110 -3.046 1.00 0.00 O ATOM 782 CB THR A 52 -3.654 -6.316 -0.923 1.00 0.00 C ATOM 783 OG1 THR A 52 -4.814 -6.832 -0.286 1.00 0.00 O ATOM 784 CG2 THR A 52 -2.500 -6.262 0.080 1.00 0.00 C ATOM 0 H THR A 52 -4.972 -5.237 -3.293 1.00 0.00 H new ATOM 0 HA THR A 52 -4.107 -4.189 -0.643 1.00 0.00 H new ATOM 0 HB THR A 52 -3.377 -6.963 -1.755 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.374 -6.090 0.024 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.294 -7.266 0.452 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.610 -5.867 -0.410 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.773 -5.615 0.914 1.00 0.00 H new ATOM 792 N PHE A 53 -2.394 -3.144 -2.069 1.00 0.00 N ATOM 793 CA PHE A 53 -1.225 -2.581 -2.816 1.00 0.00 C ATOM 794 C PHE A 53 0.035 -3.341 -2.395 1.00 0.00 C ATOM 795 O PHE A 53 0.335 -3.444 -1.221 1.00 0.00 O ATOM 796 CB PHE A 53 -1.142 -1.111 -2.394 1.00 0.00 C ATOM 797 CG PHE A 53 -2.364 -0.370 -2.888 1.00 0.00 C ATOM 798 CD1 PHE A 53 -2.359 0.221 -4.157 1.00 0.00 C ATOM 799 CD2 PHE A 53 -3.501 -0.269 -2.075 1.00 0.00 C ATOM 800 CE1 PHE A 53 -3.488 0.912 -4.613 1.00 0.00 C ATOM 801 CE2 PHE A 53 -4.630 0.421 -2.531 1.00 0.00 C ATOM 802 CZ PHE A 53 -4.624 1.012 -3.800 1.00 0.00 C ATOM 0 H PHE A 53 -2.851 -2.496 -1.427 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.325 -2.671 -3.898 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.074 -1.037 -1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.239 -0.656 -2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.484 0.144 -4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.506 -0.724 -1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.483 1.368 -5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.506 0.498 -1.904 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.495 1.545 -4.152 1.00 0.00 H new ATOM 812 N THR A 54 0.749 -3.911 -3.331 1.00 0.00 N ATOM 813 CA THR A 54 1.964 -4.705 -2.953 1.00 0.00 C ATOM 814 C THR A 54 3.270 -4.098 -3.499 1.00 0.00 C ATOM 815 O THR A 54 3.642 -4.340 -4.632 1.00 0.00 O ATOM 816 CB THR A 54 1.715 -6.085 -3.574 1.00 0.00 C ATOM 817 OG1 THR A 54 0.494 -6.610 -3.073 1.00 0.00 O ATOM 818 CG2 THR A 54 2.860 -7.039 -3.222 1.00 0.00 C ATOM 0 H THR A 54 0.550 -3.864 -4.330 1.00 0.00 H new ATOM 0 HA THR A 54 2.097 -4.730 -1.871 1.00 0.00 H new ATOM 0 HB THR A 54 1.660 -5.983 -4.658 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.330 -7.491 -3.469 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.671 -8.015 -3.669 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.798 -6.639 -3.607 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.927 -7.143 -2.139 1.00 0.00 H new ATOM 826 N VAL A 55 3.993 -3.352 -2.685 1.00 0.00 N ATOM 827 CA VAL A 55 5.293 -2.787 -3.145 1.00 0.00 C ATOM 828 C VAL A 55 6.442 -3.678 -2.646 1.00 0.00 C ATOM 829 O VAL A 55 6.257 -4.526 -1.790 1.00 0.00 O ATOM 830 CB VAL A 55 5.410 -1.362 -2.564 1.00 0.00 C ATOM 831 CG1 VAL A 55 5.559 -1.401 -1.045 1.00 0.00 C ATOM 832 CG2 VAL A 55 6.644 -0.676 -3.155 1.00 0.00 C ATOM 0 H VAL A 55 3.732 -3.116 -1.727 1.00 0.00 H new ATOM 0 HA VAL A 55 5.346 -2.749 -4.233 1.00 0.00 H new ATOM 0 HB VAL A 55 4.503 -0.814 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.639 -0.384 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.687 -1.887 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.457 -1.960 -0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.731 0.331 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.536 -1.249 -2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.546 -0.621 -4.239 1.00 0.00 H new ATOM 842 N THR A 56 7.617 -3.484 -3.173 1.00 0.00 N ATOM 843 CA THR A 56 8.786 -4.304 -2.751 1.00 0.00 C ATOM 844 C THR A 56 10.085 -3.590 -3.136 1.00 0.00 C ATOM 845 O THR A 56 10.429 -3.503 -4.301 1.00 0.00 O ATOM 846 CB THR A 56 8.633 -5.605 -3.538 1.00 0.00 C ATOM 847 OG1 THR A 56 7.413 -6.236 -3.173 1.00 0.00 O ATOM 848 CG2 THR A 56 9.804 -6.545 -3.239 1.00 0.00 C ATOM 0 H THR A 56 7.820 -2.784 -3.887 1.00 0.00 H new ATOM 0 HA THR A 56 8.824 -4.474 -1.675 1.00 0.00 H new ATOM 0 HB THR A 56 8.626 -5.377 -4.604 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.094 -5.865 -2.324 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.683 -7.468 -3.806 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.739 -6.063 -3.525 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.824 -6.773 -2.173 1.00 0.00 H new ATOM 856 N GLU A 57 10.804 -3.079 -2.169 1.00 0.00 N ATOM 857 CA GLU A 57 12.083 -2.368 -2.477 1.00 0.00 C ATOM 858 C GLU A 57 13.143 -3.369 -2.944 1.00 0.00 C ATOM 859 O GLU A 57 13.964 -2.992 -3.764 1.00 0.00 O ATOM 860 CB GLU A 57 12.508 -1.712 -1.162 1.00 0.00 C ATOM 861 CG GLU A 57 13.226 -0.394 -1.458 1.00 0.00 C ATOM 862 CD GLU A 57 13.467 0.360 -0.149 1.00 0.00 C ATOM 863 OE1 GLU A 57 12.494 0.714 0.495 1.00 0.00 O ATOM 864 OE2 GLU A 57 14.621 0.571 0.185 1.00 0.00 O ATOM 865 OXT GLU A 57 13.114 -4.494 -2.474 1.00 0.00 O ATOM 0 H GLU A 57 10.561 -3.123 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 57 11.963 -1.634 -3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.635 -1.530 -0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.166 -2.380 -0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.175 -0.589 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.627 0.214 -2.136 1.00 0.00 H new