USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot -3:sc= 1.82 USER MOD Set 1.2: A 54 THR OG1 : rot 145:sc= 1.46 USER MOD Single : A 2 THR OG1 : rot 36:sc= 0.456 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00811 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -1.68 K(o=-1.7,f=-2.3!) USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.111) USER MOD Single : A 12 THR OG1 : rot -124:sc= -1.04 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 11:sc= 0.867 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 130:sc= -1.04 USER MOD Single : A 36 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.42) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.23 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 71:sc= 0.868 USER MOD Single : A 56 THR OG1 : rot -169:sc= -1.15 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -1.999 -12.326 5.957 1.00 0.00 N ATOM 21 CA THR A 2 -2.372 -11.329 4.908 1.00 0.00 C ATOM 22 C THR A 2 -1.498 -10.078 5.033 1.00 0.00 C ATOM 23 O THR A 2 -1.940 -8.976 4.767 1.00 0.00 O ATOM 24 CB THR A 2 -3.837 -10.991 5.188 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.580 -12.194 5.330 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.404 -10.172 4.026 1.00 0.00 C ATOM 0 HA THR A 2 -2.228 -11.716 3.899 1.00 0.00 H new ATOM 0 HB THR A 2 -3.908 -10.410 6.107 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.030 -12.867 5.782 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.448 -9.931 4.226 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.833 -9.250 3.918 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.335 -10.751 3.105 1.00 0.00 H new ATOM 34 N THR A 3 -0.263 -10.243 5.435 1.00 0.00 N ATOM 35 CA THR A 3 0.644 -9.062 5.578 1.00 0.00 C ATOM 36 C THR A 3 0.941 -8.456 4.204 1.00 0.00 C ATOM 37 O THR A 3 1.879 -8.847 3.534 1.00 0.00 O ATOM 38 CB THR A 3 1.927 -9.607 6.211 1.00 0.00 C ATOM 39 OG1 THR A 3 1.596 -10.390 7.350 1.00 0.00 O ATOM 40 CG2 THR A 3 2.824 -8.442 6.633 1.00 0.00 C ATOM 0 H THR A 3 0.156 -11.143 5.670 1.00 0.00 H new ATOM 0 HA THR A 3 0.197 -8.276 6.186 1.00 0.00 H new ATOM 0 HB THR A 3 2.456 -10.226 5.486 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.416 -10.741 7.755 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.737 -8.831 7.084 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.077 -7.843 5.759 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.297 -7.821 7.358 1.00 0.00 H new ATOM 48 N PHE A 4 0.149 -7.504 3.785 1.00 0.00 N ATOM 49 CA PHE A 4 0.377 -6.863 2.455 1.00 0.00 C ATOM 50 C PHE A 4 1.610 -5.961 2.509 1.00 0.00 C ATOM 51 O PHE A 4 1.903 -5.357 3.524 1.00 0.00 O ATOM 52 CB PHE A 4 -0.880 -6.033 2.184 1.00 0.00 C ATOM 53 CG PHE A 4 -1.974 -6.933 1.666 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.860 -7.511 0.397 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.099 -7.192 2.455 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.871 -8.350 -0.083 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.111 -8.030 1.974 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.996 -8.611 0.706 1.00 0.00 C ATOM 0 H PHE A 4 -0.648 -7.141 4.308 1.00 0.00 H new ATOM 0 HA PHE A 4 0.552 -7.600 1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.205 -5.536 3.098 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.663 -5.251 1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.991 -7.309 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.187 -6.746 3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.783 -8.796 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.981 -8.229 2.582 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.776 -9.261 0.337 1.00 0.00 H new ATOM 68 N LYS A 5 2.330 -5.865 1.422 1.00 0.00 N ATOM 69 CA LYS A 5 3.547 -5.002 1.398 1.00 0.00 C ATOM 70 C LYS A 5 3.299 -3.774 0.518 1.00 0.00 C ATOM 71 O LYS A 5 2.219 -3.595 -0.017 1.00 0.00 O ATOM 72 CB LYS A 5 4.642 -5.880 0.794 1.00 0.00 C ATOM 73 CG LYS A 5 5.394 -6.606 1.911 1.00 0.00 C ATOM 74 CD LYS A 5 6.297 -7.682 1.305 1.00 0.00 C ATOM 75 CE LYS A 5 5.522 -8.997 1.190 1.00 0.00 C ATOM 76 NZ LYS A 5 6.230 -9.769 0.132 1.00 0.00 N ATOM 0 H LYS A 5 2.127 -6.349 0.547 1.00 0.00 H new ATOM 0 HA LYS A 5 3.818 -4.638 2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.204 -6.604 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.334 -5.269 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.991 -5.896 2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.686 -7.059 2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.646 -7.367 0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.181 -7.822 1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.518 -9.537 2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.481 -8.820 0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.757 -10.685 -0.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.212 -9.233 -0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.216 -9.929 0.420 1.00 0.00 H new ATOM 90 N LEU A 6 4.289 -2.929 0.360 1.00 0.00 N ATOM 91 CA LEU A 6 4.106 -1.714 -0.487 1.00 0.00 C ATOM 92 C LEU A 6 5.463 -1.153 -0.917 1.00 0.00 C ATOM 93 O LEU A 6 6.135 -0.485 -0.154 1.00 0.00 O ATOM 94 CB LEU A 6 3.366 -0.721 0.412 1.00 0.00 C ATOM 95 CG LEU A 6 3.111 0.586 -0.345 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.774 0.496 -1.080 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.074 1.754 0.647 1.00 0.00 C ATOM 0 H LEU A 6 5.213 -3.030 0.781 1.00 0.00 H new ATOM 0 HA LEU A 6 3.555 -1.925 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.420 -1.151 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.953 -0.522 1.308 1.00 0.00 H new ATOM 0 HG LEU A 6 3.911 0.750 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.592 1.426 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.802 -0.333 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.973 0.331 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.893 2.684 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.275 1.592 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.028 1.818 1.169 1.00 0.00 H new ATOM 109 N ILE A 7 5.854 -1.400 -2.139 1.00 0.00 N ATOM 110 CA ILE A 7 7.155 -0.867 -2.633 1.00 0.00 C ATOM 111 C ILE A 7 6.920 0.500 -3.267 1.00 0.00 C ATOM 112 O ILE A 7 6.212 0.613 -4.253 1.00 0.00 O ATOM 113 CB ILE A 7 7.628 -1.879 -3.683 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.889 -3.226 -3.008 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.919 -1.382 -4.342 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.610 -4.358 -3.997 1.00 0.00 C ATOM 0 H ILE A 7 5.326 -1.949 -2.817 1.00 0.00 H new ATOM 0 HA ILE A 7 7.894 -0.742 -1.842 1.00 0.00 H new ATOM 0 HB ILE A 7 6.857 -1.992 -4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.922 -3.277 -2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.254 -3.333 -2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.249 -2.106 -5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.735 -0.422 -4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.693 -1.264 -3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.797 -5.317 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.570 -4.311 -4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.264 -4.254 -4.863 1.00 0.00 H new ATOM 128 N ILE A 8 7.500 1.538 -2.718 1.00 0.00 N ATOM 129 CA ILE A 8 7.289 2.885 -3.314 1.00 0.00 C ATOM 130 C ILE A 8 8.403 3.140 -4.336 1.00 0.00 C ATOM 131 O ILE A 8 9.573 3.122 -3.995 1.00 0.00 O ATOM 132 CB ILE A 8 7.356 3.925 -2.177 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.218 3.729 -1.161 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.180 5.329 -2.772 1.00 0.00 C ATOM 135 CD1 ILE A 8 6.381 2.421 -0.395 1.00 0.00 C ATOM 0 H ILE A 8 8.101 1.509 -1.895 1.00 0.00 H new ATOM 0 HA ILE A 8 6.323 2.953 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 8 8.318 3.804 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.205 4.564 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.259 3.733 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.226 6.071 -1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.975 5.521 -3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.214 5.394 -3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.562 2.311 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.369 1.586 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.329 2.430 0.143 1.00 0.00 H new ATOM 147 N ASN A 9 8.061 3.362 -5.577 1.00 0.00 N ATOM 148 CA ASN A 9 9.117 3.600 -6.611 1.00 0.00 C ATOM 149 C ASN A 9 9.688 5.010 -6.472 1.00 0.00 C ATOM 150 O ASN A 9 10.842 5.258 -6.769 1.00 0.00 O ATOM 151 CB ASN A 9 8.442 3.448 -7.989 1.00 0.00 C ATOM 152 CG ASN A 9 7.507 2.232 -8.026 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.840 1.177 -7.527 1.00 0.00 O ATOM 154 ND2 ASN A 9 6.339 2.346 -8.605 1.00 0.00 N ATOM 0 H ASN A 9 7.101 3.389 -5.921 1.00 0.00 H new ATOM 0 HA ASN A 9 9.936 2.891 -6.492 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.876 4.351 -8.220 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.206 3.345 -8.760 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.706 1.547 -8.638 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.062 3.234 -9.024 1.00 0.00 H new ATOM 161 N GLY A 10 8.881 5.927 -6.033 1.00 0.00 N ATOM 162 CA GLY A 10 9.345 7.337 -5.875 1.00 0.00 C ATOM 163 C GLY A 10 10.409 7.411 -4.780 1.00 0.00 C ATOM 164 O GLY A 10 10.512 6.535 -3.941 1.00 0.00 O ATOM 0 H GLY A 10 7.908 5.763 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.753 7.703 -6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.503 7.981 -5.621 1.00 0.00 H new ATOM 168 N LYS A 11 11.196 8.457 -4.780 1.00 0.00 N ATOM 169 CA LYS A 11 12.257 8.603 -3.736 1.00 0.00 C ATOM 170 C LYS A 11 11.712 9.342 -2.503 1.00 0.00 C ATOM 171 O LYS A 11 12.466 9.771 -1.651 1.00 0.00 O ATOM 172 CB LYS A 11 13.371 9.417 -4.409 1.00 0.00 C ATOM 173 CG LYS A 11 12.839 10.794 -4.844 1.00 0.00 C ATOM 174 CD LYS A 11 12.978 10.952 -6.361 1.00 0.00 C ATOM 175 CE LYS A 11 12.536 12.358 -6.772 1.00 0.00 C ATOM 176 NZ LYS A 11 13.715 13.226 -6.498 1.00 0.00 N ATOM 0 H LYS A 11 11.150 9.217 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 11 12.615 7.636 -3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.206 9.543 -3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.753 8.877 -5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.794 10.898 -4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.391 11.584 -4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.012 10.782 -6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.371 10.205 -6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.256 12.392 -7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.666 12.681 -6.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.403 14.094 -6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.387 12.717 -5.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.179 13.474 -7.395 1.00 0.00 H new ATOM 190 N THR A 12 10.411 9.487 -2.397 1.00 0.00 N ATOM 191 CA THR A 12 9.824 10.192 -1.216 1.00 0.00 C ATOM 192 C THR A 12 10.143 9.423 0.060 1.00 0.00 C ATOM 193 O THR A 12 10.688 9.961 1.005 1.00 0.00 O ATOM 194 CB THR A 12 8.316 10.216 -1.465 1.00 0.00 C ATOM 195 OG1 THR A 12 7.907 8.970 -2.013 1.00 0.00 O ATOM 196 CG2 THR A 12 7.978 11.342 -2.440 1.00 0.00 C ATOM 0 H THR A 12 9.732 9.147 -3.078 1.00 0.00 H new ATOM 0 HA THR A 12 10.227 11.198 -1.095 1.00 0.00 H new ATOM 0 HB THR A 12 7.794 10.386 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.444 9.123 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.903 11.359 -2.618 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.291 12.296 -2.016 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.499 11.175 -3.383 1.00 0.00 H new ATOM 204 N LEU A 13 9.805 8.168 0.083 1.00 0.00 N ATOM 205 CA LEU A 13 10.076 7.335 1.290 1.00 0.00 C ATOM 206 C LEU A 13 10.760 6.010 0.895 1.00 0.00 C ATOM 207 O LEU A 13 11.518 5.457 1.662 1.00 0.00 O ATOM 208 CB LEU A 13 8.696 7.110 1.931 1.00 0.00 C ATOM 209 CG LEU A 13 7.792 6.305 0.998 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.088 4.801 1.139 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.330 6.570 1.372 1.00 0.00 C ATOM 0 H LEU A 13 9.349 7.677 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 13 10.760 7.816 1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.811 6.583 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.232 8.071 2.155 1.00 0.00 H new ATOM 0 HG LEU A 13 7.978 6.607 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.438 4.238 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.129 4.609 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.907 4.489 2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.676 6.000 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.158 6.266 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.114 7.633 1.266 1.00 0.00 H new ATOM 223 N LYS A 14 10.494 5.515 -0.304 1.00 0.00 N ATOM 224 CA LYS A 14 11.105 4.227 -0.816 1.00 0.00 C ATOM 225 C LYS A 14 11.254 3.152 0.274 1.00 0.00 C ATOM 226 O LYS A 14 12.170 3.179 1.073 1.00 0.00 O ATOM 227 CB LYS A 14 12.472 4.597 -1.425 1.00 0.00 C ATOM 228 CG LYS A 14 13.317 5.432 -0.454 1.00 0.00 C ATOM 229 CD LYS A 14 14.734 5.577 -1.008 1.00 0.00 C ATOM 230 CE LYS A 14 15.504 4.272 -0.790 1.00 0.00 C ATOM 231 NZ LYS A 14 16.940 4.653 -0.877 1.00 0.00 N ATOM 0 H LYS A 14 9.861 5.963 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 14 10.444 3.781 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.012 3.687 -1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.320 5.156 -2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.867 6.415 -0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.345 4.954 0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.698 5.817 -2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.247 6.401 -0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.270 3.833 0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.246 3.530 -1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.532 3.809 -0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.135 5.062 -1.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.158 5.355 -0.141 1.00 0.00 H new ATOM 245 N GLY A 15 10.361 2.192 0.293 1.00 0.00 N ATOM 246 CA GLY A 15 10.448 1.108 1.314 1.00 0.00 C ATOM 247 C GLY A 15 9.347 0.071 1.076 1.00 0.00 C ATOM 248 O GLY A 15 8.551 0.189 0.161 1.00 0.00 O ATOM 0 H GLY A 15 9.577 2.115 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.426 0.629 1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.350 1.531 2.314 1.00 0.00 H new ATOM 252 N GLU A 16 9.303 -0.944 1.904 1.00 0.00 N ATOM 253 CA GLU A 16 8.265 -2.008 1.759 1.00 0.00 C ATOM 254 C GLU A 16 7.574 -2.245 3.105 1.00 0.00 C ATOM 255 O GLU A 16 7.789 -3.250 3.757 1.00 0.00 O ATOM 256 CB GLU A 16 9.038 -3.254 1.325 1.00 0.00 C ATOM 257 CG GLU A 16 9.031 -3.354 -0.200 1.00 0.00 C ATOM 258 CD GLU A 16 10.334 -4.000 -0.677 1.00 0.00 C ATOM 259 OE1 GLU A 16 11.373 -3.660 -0.137 1.00 0.00 O ATOM 260 OE2 GLU A 16 10.268 -4.823 -1.575 1.00 0.00 O ATOM 0 H GLU A 16 9.949 -1.081 2.681 1.00 0.00 H new ATOM 0 HA GLU A 16 7.489 -1.742 1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.063 -3.205 1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.586 -4.145 1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.177 -3.945 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.923 -2.362 -0.639 1.00 0.00 H new ATOM 267 N ILE A 17 6.748 -1.320 3.526 1.00 0.00 N ATOM 268 CA ILE A 17 6.041 -1.482 4.835 1.00 0.00 C ATOM 269 C ILE A 17 5.074 -2.667 4.764 1.00 0.00 C ATOM 270 O ILE A 17 4.085 -2.631 4.056 1.00 0.00 O ATOM 271 CB ILE A 17 5.278 -0.168 5.051 1.00 0.00 C ATOM 272 CG1 ILE A 17 6.263 1.015 5.082 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.510 -0.225 6.377 1.00 0.00 C ATOM 274 CD1 ILE A 17 7.287 0.830 6.211 1.00 0.00 C ATOM 0 H ILE A 17 6.532 -0.460 3.021 1.00 0.00 H new ATOM 0 HA ILE A 17 6.731 -1.682 5.655 1.00 0.00 H new ATOM 0 HB ILE A 17 4.575 -0.030 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.778 1.093 4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.717 1.947 5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.970 0.710 6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.801 -1.053 6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.212 -0.373 7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.976 1.675 6.219 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.768 0.776 7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.845 -0.092 6.048 1.00 0.00 H new ATOM 286 N THR A 18 5.354 -3.712 5.499 1.00 0.00 N ATOM 287 CA THR A 18 4.456 -4.908 5.486 1.00 0.00 C ATOM 288 C THR A 18 3.358 -4.740 6.539 1.00 0.00 C ATOM 289 O THR A 18 3.639 -4.553 7.708 1.00 0.00 O ATOM 290 CB THR A 18 5.348 -6.108 5.838 1.00 0.00 C ATOM 291 OG1 THR A 18 5.825 -5.971 7.172 1.00 0.00 O ATOM 292 CG2 THR A 18 6.536 -6.194 4.869 1.00 0.00 C ATOM 0 H THR A 18 6.167 -3.790 6.109 1.00 0.00 H new ATOM 0 HA THR A 18 3.972 -5.042 4.519 1.00 0.00 H new ATOM 0 HB THR A 18 4.760 -7.022 5.752 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.338 -5.248 7.621 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.159 -7.049 5.132 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.167 -6.313 3.850 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.127 -5.281 4.936 1.00 0.00 H new ATOM 300 N ILE A 19 2.114 -4.807 6.135 1.00 0.00 N ATOM 301 CA ILE A 19 1.000 -4.651 7.125 1.00 0.00 C ATOM 302 C ILE A 19 -0.129 -5.645 6.834 1.00 0.00 C ATOM 303 O ILE A 19 -0.489 -5.874 5.694 1.00 0.00 O ATOM 304 CB ILE A 19 0.508 -3.205 6.971 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.020 -2.974 5.547 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.662 -2.239 7.250 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.543 -3.118 5.533 1.00 0.00 C ATOM 0 H ILE A 19 1.821 -4.962 5.170 1.00 0.00 H new ATOM 0 HA ILE A 19 1.336 -4.853 8.142 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.299 -3.028 7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.264 -1.981 5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.429 -3.692 4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.312 -1.213 7.140 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.027 -2.392 8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.470 -2.424 6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.915 -2.954 4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.817 -4.121 5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.984 -2.383 6.206 1.00 0.00 H new ATOM 319 N GLU A 20 -0.692 -6.229 7.862 1.00 0.00 N ATOM 320 CA GLU A 20 -1.802 -7.206 7.662 1.00 0.00 C ATOM 321 C GLU A 20 -3.142 -6.468 7.589 1.00 0.00 C ATOM 322 O GLU A 20 -3.266 -5.346 8.041 1.00 0.00 O ATOM 323 CB GLU A 20 -1.756 -8.112 8.893 1.00 0.00 C ATOM 324 CG GLU A 20 -2.185 -9.527 8.501 1.00 0.00 C ATOM 325 CD GLU A 20 -2.376 -10.371 9.763 1.00 0.00 C ATOM 326 OE1 GLU A 20 -1.398 -10.593 10.457 1.00 0.00 O ATOM 327 OE2 GLU A 20 -3.497 -10.779 10.014 1.00 0.00 O ATOM 0 H GLU A 20 -0.428 -6.069 8.834 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.697 -7.771 6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.748 -8.128 9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.415 -7.723 9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.113 -9.492 7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.432 -9.982 7.857 1.00 0.00 H new ATOM 334 N ALA A 21 -4.143 -7.092 7.018 1.00 0.00 N ATOM 335 CA ALA A 21 -5.478 -6.432 6.909 1.00 0.00 C ATOM 336 C ALA A 21 -6.535 -7.447 6.466 1.00 0.00 C ATOM 337 O ALA A 21 -6.219 -8.549 6.060 1.00 0.00 O ATOM 338 CB ALA A 21 -5.298 -5.349 5.844 1.00 0.00 C ATOM 0 H ALA A 21 -4.092 -8.031 6.623 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.813 -6.018 7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.239 -4.816 5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.528 -4.648 6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.999 -5.810 4.903 1.00 0.00 H new ATOM 344 N VAL A 22 -7.791 -7.078 6.539 1.00 0.00 N ATOM 345 CA VAL A 22 -8.887 -8.009 6.124 1.00 0.00 C ATOM 346 C VAL A 22 -8.645 -8.520 4.695 1.00 0.00 C ATOM 347 O VAL A 22 -8.885 -9.671 4.382 1.00 0.00 O ATOM 348 CB VAL A 22 -10.172 -7.168 6.194 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.065 -5.968 5.244 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.373 -8.029 5.793 1.00 0.00 C ATOM 0 H VAL A 22 -8.106 -6.166 6.870 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.944 -8.890 6.763 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.305 -6.808 7.214 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.979 -5.377 5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.215 -5.350 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.924 -6.323 4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.283 -7.431 5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.235 -8.395 4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.457 -8.876 6.474 1.00 0.00 H new ATOM 360 N ASP A 23 -8.167 -7.660 3.837 1.00 0.00 N ATOM 361 CA ASP A 23 -7.891 -8.058 2.427 1.00 0.00 C ATOM 362 C ASP A 23 -6.982 -7.013 1.784 1.00 0.00 C ATOM 363 O ASP A 23 -6.679 -5.999 2.387 1.00 0.00 O ATOM 364 CB ASP A 23 -9.255 -8.082 1.740 1.00 0.00 C ATOM 365 CG ASP A 23 -9.827 -9.500 1.788 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.309 -10.351 1.083 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.774 -9.711 2.528 1.00 0.00 O ATOM 0 H ASP A 23 -7.954 -6.687 4.056 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.392 -9.024 2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.935 -7.388 2.234 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.159 -7.752 0.706 1.00 0.00 H new ATOM 372 N ALA A 24 -6.541 -7.244 0.575 1.00 0.00 N ATOM 373 CA ALA A 24 -5.645 -6.250 -0.089 1.00 0.00 C ATOM 374 C ALA A 24 -6.378 -4.914 -0.246 1.00 0.00 C ATOM 375 O ALA A 24 -5.777 -3.858 -0.216 1.00 0.00 O ATOM 376 CB ALA A 24 -5.303 -6.842 -1.455 1.00 0.00 C ATOM 0 H ALA A 24 -6.760 -8.072 0.021 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.744 -6.059 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.646 -6.159 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.799 -7.799 -1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.219 -6.991 -2.027 1.00 0.00 H new ATOM 382 N ALA A 25 -7.683 -4.956 -0.402 1.00 0.00 N ATOM 383 CA ALA A 25 -8.471 -3.693 -0.549 1.00 0.00 C ATOM 384 C ALA A 25 -8.181 -2.754 0.626 1.00 0.00 C ATOM 385 O ALA A 25 -7.880 -1.589 0.443 1.00 0.00 O ATOM 386 CB ALA A 25 -9.939 -4.126 -0.539 1.00 0.00 C ATOM 0 H ALA A 25 -8.234 -5.814 -0.434 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.217 -3.155 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.578 -3.249 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.123 -4.809 -1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.164 -4.629 0.402 1.00 0.00 H new ATOM 392 N GLU A 26 -8.249 -3.267 1.828 1.00 0.00 N ATOM 393 CA GLU A 26 -7.955 -2.420 3.023 1.00 0.00 C ATOM 394 C GLU A 26 -6.477 -2.037 3.008 1.00 0.00 C ATOM 395 O GLU A 26 -6.120 -0.900 3.251 1.00 0.00 O ATOM 396 CB GLU A 26 -8.275 -3.299 4.235 1.00 0.00 C ATOM 397 CG GLU A 26 -9.637 -2.905 4.812 1.00 0.00 C ATOM 398 CD GLU A 26 -9.610 -3.052 6.336 1.00 0.00 C ATOM 399 OE1 GLU A 26 -8.578 -2.767 6.921 1.00 0.00 O ATOM 400 OE2 GLU A 26 -10.622 -3.445 6.891 1.00 0.00 O ATOM 0 H GLU A 26 -8.495 -4.235 2.033 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.537 -1.499 3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.283 -4.349 3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.501 -3.185 4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.875 -1.877 4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.419 -3.536 4.389 1.00 0.00 H new ATOM 407 N ALA A 27 -5.614 -2.980 2.706 1.00 0.00 N ATOM 408 CA ALA A 27 -4.146 -2.676 2.651 1.00 0.00 C ATOM 409 C ALA A 27 -3.897 -1.498 1.707 1.00 0.00 C ATOM 410 O ALA A 27 -3.154 -0.587 2.017 1.00 0.00 O ATOM 411 CB ALA A 27 -3.483 -3.940 2.100 1.00 0.00 C ATOM 0 H ALA A 27 -5.862 -3.947 2.495 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.748 -2.407 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.406 -3.786 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.690 -4.779 2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.880 -4.157 1.108 1.00 0.00 H new ATOM 417 N GLU A 28 -4.535 -1.508 0.560 1.00 0.00 N ATOM 418 CA GLU A 28 -4.360 -0.384 -0.410 1.00 0.00 C ATOM 419 C GLU A 28 -4.756 0.935 0.259 1.00 0.00 C ATOM 420 O GLU A 28 -4.098 1.937 0.092 1.00 0.00 O ATOM 421 CB GLU A 28 -5.295 -0.698 -1.581 1.00 0.00 C ATOM 422 CG GLU A 28 -4.846 0.088 -2.818 1.00 0.00 C ATOM 423 CD GLU A 28 -5.942 0.029 -3.883 1.00 0.00 C ATOM 424 OE1 GLU A 28 -7.003 0.581 -3.645 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.702 -0.569 -4.920 1.00 0.00 O ATOM 0 H GLU A 28 -5.169 -2.247 0.255 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.328 -0.284 -0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.284 -1.767 -1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.321 -0.435 -1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.640 1.124 -2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.919 -0.329 -3.211 1.00 0.00 H new ATOM 432 N LYS A 29 -5.815 0.927 1.034 1.00 0.00 N ATOM 433 CA LYS A 29 -6.240 2.178 1.734 1.00 0.00 C ATOM 434 C LYS A 29 -5.202 2.540 2.800 1.00 0.00 C ATOM 435 O LYS A 29 -4.714 3.656 2.859 1.00 0.00 O ATOM 436 CB LYS A 29 -7.587 1.846 2.383 1.00 0.00 C ATOM 437 CG LYS A 29 -8.639 1.572 1.295 1.00 0.00 C ATOM 438 CD LYS A 29 -9.834 2.514 1.477 1.00 0.00 C ATOM 439 CE LYS A 29 -9.538 3.852 0.798 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.871 4.388 0.407 1.00 0.00 N ATOM 0 H LYS A 29 -6.400 0.111 1.211 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.326 3.027 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.484 0.974 3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.911 2.674 3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.200 1.714 0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.970 0.535 1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.731 2.067 1.048 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.031 2.668 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.022 4.533 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.895 3.719 -0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.751 5.306 -0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.336 3.722 -0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.459 4.510 1.256 1.00 0.00 H new ATOM 454 N ILE A 30 -4.842 1.588 3.630 1.00 0.00 N ATOM 455 CA ILE A 30 -3.814 1.852 4.688 1.00 0.00 C ATOM 456 C ILE A 30 -2.523 2.321 4.018 1.00 0.00 C ATOM 457 O ILE A 30 -1.843 3.208 4.500 1.00 0.00 O ATOM 458 CB ILE A 30 -3.600 0.507 5.397 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.916 0.040 6.027 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.543 0.661 6.498 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.922 -1.488 6.123 1.00 0.00 C ATOM 0 H ILE A 30 -5.216 0.639 3.620 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.122 2.623 5.394 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.261 -0.228 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.032 0.478 7.018 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.760 0.381 5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.396 -0.297 6.997 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.602 0.988 6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.879 1.401 7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.858 -1.821 6.571 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.825 -1.916 5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.087 -1.817 6.741 1.00 0.00 H new ATOM 473 N PHE A 31 -2.201 1.739 2.892 1.00 0.00 N ATOM 474 CA PHE A 31 -0.974 2.151 2.157 1.00 0.00 C ATOM 475 C PHE A 31 -1.234 3.487 1.461 1.00 0.00 C ATOM 476 O PHE A 31 -0.359 4.325 1.356 1.00 0.00 O ATOM 477 CB PHE A 31 -0.724 1.041 1.132 1.00 0.00 C ATOM 478 CG PHE A 31 0.005 -0.107 1.787 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.176 0.129 2.519 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.489 -1.410 1.660 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.852 -0.937 3.123 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.187 -2.476 2.264 1.00 0.00 C ATOM 483 CZ PHE A 31 1.357 -2.241 2.996 1.00 0.00 C ATOM 0 H PHE A 31 -2.739 0.993 2.450 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.112 2.283 2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.672 0.694 0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.137 1.428 0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.557 1.135 2.617 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.392 -1.593 1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.755 -0.754 3.687 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.194 -3.482 2.165 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.877 -3.064 3.462 1.00 0.00 H new ATOM 493 N LYS A 32 -2.441 3.689 0.990 1.00 0.00 N ATOM 494 CA LYS A 32 -2.782 4.968 0.306 1.00 0.00 C ATOM 495 C LYS A 32 -3.061 6.086 1.320 1.00 0.00 C ATOM 496 O LYS A 32 -3.383 7.198 0.943 1.00 0.00 O ATOM 497 CB LYS A 32 -4.028 4.675 -0.523 1.00 0.00 C ATOM 498 CG LYS A 32 -3.619 3.955 -1.809 1.00 0.00 C ATOM 499 CD LYS A 32 -4.867 3.631 -2.635 1.00 0.00 C ATOM 500 CE LYS A 32 -5.400 4.909 -3.296 1.00 0.00 C ATOM 501 NZ LYS A 32 -6.815 5.023 -2.842 1.00 0.00 N ATOM 0 H LYS A 32 -3.206 3.017 1.052 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.954 5.314 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.722 4.059 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.547 5.603 -0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.940 4.581 -2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.081 3.038 -1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.627 2.889 -3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.634 3.194 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.818 5.780 -2.995 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.339 4.845 -4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.245 5.875 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.347 4.184 -3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.842 5.090 -1.804 1.00 0.00 H new ATOM 515 N GLN A 33 -2.895 5.824 2.596 1.00 0.00 N ATOM 516 CA GLN A 33 -3.098 6.896 3.619 1.00 0.00 C ATOM 517 C GLN A 33 -1.704 7.253 4.103 1.00 0.00 C ATOM 518 O GLN A 33 -1.306 8.397 4.178 1.00 0.00 O ATOM 519 CB GLN A 33 -3.929 6.256 4.733 1.00 0.00 C ATOM 520 CG GLN A 33 -4.217 7.295 5.818 1.00 0.00 C ATOM 521 CD GLN A 33 -5.518 8.031 5.489 1.00 0.00 C ATOM 522 OE1 GLN A 33 -6.582 7.627 5.915 1.00 0.00 O ATOM 523 NE2 GLN A 33 -5.477 9.101 4.745 1.00 0.00 N ATOM 0 H GLN A 33 -2.628 4.914 2.971 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.606 7.791 3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.864 5.870 4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.393 5.408 5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.298 6.808 6.790 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.392 8.005 5.885 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.584 9.440 4.388 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.338 9.599 4.520 1.00 0.00 H new ATOM 532 N TYR A 34 -0.948 6.224 4.356 1.00 0.00 N ATOM 533 CA TYR A 34 0.475 6.355 4.761 1.00 0.00 C ATOM 534 C TYR A 34 1.210 7.238 3.729 1.00 0.00 C ATOM 535 O TYR A 34 1.949 8.140 4.073 1.00 0.00 O ATOM 536 CB TYR A 34 0.932 4.884 4.707 1.00 0.00 C ATOM 537 CG TYR A 34 2.432 4.758 4.506 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.312 5.271 5.466 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.934 4.127 3.360 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.694 5.154 5.280 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.316 4.010 3.176 1.00 0.00 C ATOM 542 CZ TYR A 34 5.196 4.524 4.136 1.00 0.00 C ATOM 543 OH TYR A 34 6.559 4.408 3.953 1.00 0.00 O ATOM 0 H TYR A 34 -1.274 5.259 4.296 1.00 0.00 H new ATOM 0 HA TYR A 34 0.659 6.822 5.729 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.647 4.382 5.632 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.414 4.374 3.895 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.925 5.757 6.349 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.255 3.731 2.619 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.374 5.550 6.020 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.704 3.523 2.293 1.00 0.00 H new ATOM 0 HH TYR A 34 6.782 3.479 3.734 1.00 0.00 H new ATOM 553 N ALA A 35 0.981 6.977 2.464 1.00 0.00 N ATOM 554 CA ALA A 35 1.629 7.787 1.385 1.00 0.00 C ATOM 555 C ALA A 35 1.217 9.255 1.517 1.00 0.00 C ATOM 556 O ALA A 35 2.045 10.144 1.538 1.00 0.00 O ATOM 557 CB ALA A 35 1.088 7.214 0.072 1.00 0.00 C ATOM 0 H ALA A 35 0.369 6.232 2.131 1.00 0.00 H new ATOM 0 HA ALA A 35 2.717 7.742 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.519 7.759 -0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.356 6.160 -0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.003 7.315 0.051 1.00 0.00 H new ATOM 563 N ASN A 36 -0.066 9.509 1.602 1.00 0.00 N ATOM 564 CA ASN A 36 -0.556 10.919 1.726 1.00 0.00 C ATOM 565 C ASN A 36 0.049 11.599 2.959 1.00 0.00 C ATOM 566 O ASN A 36 0.567 12.697 2.875 1.00 0.00 O ATOM 567 CB ASN A 36 -2.073 10.805 1.874 1.00 0.00 C ATOM 568 CG ASN A 36 -2.712 10.645 0.492 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.229 11.594 -0.064 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.698 9.478 -0.090 1.00 0.00 N ATOM 0 H ASN A 36 -0.798 8.799 1.591 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.271 11.522 0.864 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.324 9.951 2.503 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.468 11.692 2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.121 9.362 -1.011 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.264 8.681 0.376 1.00 0.00 H new ATOM 577 N ASP A 37 -0.017 10.958 4.100 1.00 0.00 N ATOM 578 CA ASP A 37 0.553 11.570 5.343 1.00 0.00 C ATOM 579 C ASP A 37 2.038 11.886 5.155 1.00 0.00 C ATOM 580 O ASP A 37 2.574 12.791 5.765 1.00 0.00 O ATOM 581 CB ASP A 37 0.361 10.519 6.439 1.00 0.00 C ATOM 582 CG ASP A 37 0.449 11.189 7.811 1.00 0.00 C ATOM 583 OD1 ASP A 37 1.292 12.056 7.972 1.00 0.00 O ATOM 584 OD2 ASP A 37 -0.329 10.825 8.677 1.00 0.00 O ATOM 0 H ASP A 37 -0.440 10.038 4.226 1.00 0.00 H new ATOM 0 HA ASP A 37 0.061 12.510 5.593 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.606 10.030 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.123 9.744 6.352 1.00 0.00 H new ATOM 589 N ASN A 38 2.693 11.144 4.310 1.00 0.00 N ATOM 590 CA ASN A 38 4.136 11.375 4.054 1.00 0.00 C ATOM 591 C ASN A 38 4.320 12.317 2.860 1.00 0.00 C ATOM 592 O ASN A 38 5.305 13.023 2.762 1.00 0.00 O ATOM 593 CB ASN A 38 4.711 9.993 3.744 1.00 0.00 C ATOM 594 CG ASN A 38 5.170 9.327 5.042 1.00 0.00 C ATOM 595 OD1 ASN A 38 4.372 9.068 5.921 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.433 9.035 5.200 1.00 0.00 N ATOM 0 H ASN A 38 2.282 10.376 3.779 1.00 0.00 H new ATOM 0 HA ASN A 38 4.636 11.842 4.903 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.958 9.376 3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.549 10.083 3.053 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.750 8.590 6.061 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.103 9.252 4.462 1.00 0.00 H new ATOM 603 N GLY A 39 3.375 12.326 1.952 1.00 0.00 N ATOM 604 CA GLY A 39 3.484 13.213 0.757 1.00 0.00 C ATOM 605 C GLY A 39 3.775 12.361 -0.480 1.00 0.00 C ATOM 606 O GLY A 39 4.547 12.745 -1.338 1.00 0.00 O ATOM 0 H GLY A 39 2.531 11.755 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.558 13.771 0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.279 13.945 0.904 1.00 0.00 H new ATOM 610 N ILE A 40 3.163 11.208 -0.573 1.00 0.00 N ATOM 611 CA ILE A 40 3.399 10.318 -1.745 1.00 0.00 C ATOM 612 C ILE A 40 2.172 10.350 -2.663 1.00 0.00 C ATOM 613 O ILE A 40 1.048 10.182 -2.228 1.00 0.00 O ATOM 614 CB ILE A 40 3.655 8.934 -1.107 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.148 8.781 -0.861 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.191 7.775 -1.992 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.552 9.715 0.268 1.00 0.00 C ATOM 0 H ILE A 40 2.506 10.845 0.118 1.00 0.00 H new ATOM 0 HA ILE A 40 4.236 10.611 -2.379 1.00 0.00 H new ATOM 0 HB ILE A 40 3.082 8.892 -0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.385 7.749 -0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.707 9.018 -1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.397 6.829 -1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.120 7.863 -2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.725 7.806 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.621 9.617 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.326 10.744 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.999 9.455 1.171 1.00 0.00 H new ATOM 629 N ASP A 41 2.396 10.564 -3.928 1.00 0.00 N ATOM 630 CA ASP A 41 1.257 10.610 -4.901 1.00 0.00 C ATOM 631 C ASP A 41 1.764 10.578 -6.348 1.00 0.00 C ATOM 632 O ASP A 41 2.296 11.550 -6.850 1.00 0.00 O ATOM 633 CB ASP A 41 0.549 11.936 -4.616 1.00 0.00 C ATOM 634 CG ASP A 41 -0.933 11.811 -4.977 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.230 11.739 -6.159 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.744 11.790 -4.067 1.00 0.00 O ATOM 0 H ASP A 41 3.319 10.710 -4.337 1.00 0.00 H new ATOM 0 HA ASP A 41 0.596 9.751 -4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.657 12.199 -3.564 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.009 12.738 -5.194 1.00 0.00 H new ATOM 641 N GLY A 42 1.598 9.464 -7.019 1.00 0.00 N ATOM 642 CA GLY A 42 2.061 9.355 -8.436 1.00 0.00 C ATOM 643 C GLY A 42 1.453 8.111 -9.094 1.00 0.00 C ATOM 644 O GLY A 42 0.752 8.204 -10.083 1.00 0.00 O ATOM 0 H GLY A 42 1.160 8.623 -6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.772 10.248 -8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.149 9.298 -8.468 1.00 0.00 H new ATOM 648 N GLU A 43 1.726 6.945 -8.557 1.00 0.00 N ATOM 649 CA GLU A 43 1.175 5.687 -9.155 1.00 0.00 C ATOM 650 C GLU A 43 0.660 4.753 -8.059 1.00 0.00 C ATOM 651 O GLU A 43 0.992 4.910 -6.908 1.00 0.00 O ATOM 652 CB GLU A 43 2.362 5.044 -9.876 1.00 0.00 C ATOM 653 CG GLU A 43 1.868 3.877 -10.736 1.00 0.00 C ATOM 654 CD GLU A 43 2.694 3.803 -12.022 1.00 0.00 C ATOM 655 OE1 GLU A 43 3.906 3.706 -11.919 1.00 0.00 O ATOM 656 OE2 GLU A 43 2.101 3.842 -13.087 1.00 0.00 O ATOM 0 H GLU A 43 2.307 6.810 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 43 0.338 5.885 -9.824 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.865 5.782 -10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.094 4.690 -9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.954 2.942 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.813 4.010 -10.976 1.00 0.00 H new ATOM 663 N TRP A 44 -0.139 3.777 -8.426 1.00 0.00 N ATOM 664 CA TRP A 44 -0.685 2.799 -7.426 1.00 0.00 C ATOM 665 C TRP A 44 -1.206 1.560 -8.151 1.00 0.00 C ATOM 666 O TRP A 44 -2.150 1.633 -8.917 1.00 0.00 O ATOM 667 CB TRP A 44 -1.857 3.506 -6.732 1.00 0.00 C ATOM 668 CG TRP A 44 -1.368 4.284 -5.563 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.177 5.624 -5.519 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.030 3.776 -4.256 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.706 5.960 -4.264 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.603 4.852 -3.446 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.044 2.486 -3.708 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.198 4.656 -2.130 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.640 2.282 -2.379 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.215 3.368 -1.593 1.00 0.00 C ATOM 0 H TRP A 44 -0.440 3.614 -9.387 1.00 0.00 H new ATOM 0 HA TRP A 44 0.081 2.488 -6.715 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.359 4.170 -7.436 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.593 2.771 -6.407 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.362 6.314 -6.329 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.464 6.909 -3.977 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.366 1.648 -4.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.127 5.493 -1.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.656 1.287 -1.959 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.099 3.205 -0.572 1.00 0.00 H new ATOM 687 N THR A 45 -0.607 0.426 -7.910 1.00 0.00 N ATOM 688 CA THR A 45 -1.074 -0.827 -8.577 1.00 0.00 C ATOM 689 C THR A 45 -0.897 -2.004 -7.628 1.00 0.00 C ATOM 690 O THR A 45 0.154 -2.181 -7.042 1.00 0.00 O ATOM 691 CB THR A 45 -0.190 -1.013 -9.814 1.00 0.00 C ATOM 692 OG1 THR A 45 1.129 -1.328 -9.401 1.00 0.00 O ATOM 693 CG2 THR A 45 -0.169 0.268 -10.650 1.00 0.00 C ATOM 0 H THR A 45 0.187 0.311 -7.280 1.00 0.00 H new ATOM 0 HA THR A 45 -2.127 -0.768 -8.852 1.00 0.00 H new ATOM 0 HB THR A 45 -0.594 -1.823 -10.422 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.179 -1.309 -8.422 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.463 0.121 -11.526 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.182 0.510 -10.971 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.227 1.087 -10.050 1.00 0.00 H new ATOM 701 N TYR A 46 -1.912 -2.807 -7.478 1.00 0.00 N ATOM 702 CA TYR A 46 -1.810 -3.979 -6.566 1.00 0.00 C ATOM 703 C TYR A 46 -1.273 -5.192 -7.336 1.00 0.00 C ATOM 704 O TYR A 46 -1.464 -5.317 -8.531 1.00 0.00 O ATOM 705 CB TYR A 46 -3.243 -4.219 -6.068 1.00 0.00 C ATOM 706 CG TYR A 46 -3.308 -5.517 -5.289 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.499 -5.696 -4.162 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.161 -6.544 -5.709 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.542 -6.901 -3.454 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.206 -7.750 -4.999 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.396 -7.929 -3.871 1.00 0.00 C ATOM 712 OH TYR A 46 -3.439 -9.117 -3.174 1.00 0.00 O ATOM 0 H TYR A 46 -2.811 -2.702 -7.949 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.125 -3.811 -5.735 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.561 -3.390 -5.437 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.929 -4.258 -6.914 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.841 -4.903 -3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.784 -6.406 -6.580 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.916 -7.039 -2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.865 -8.542 -5.321 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.085 -9.721 -3.597 1.00 0.00 H new ATOM 722 N ASP A 47 -0.614 -6.087 -6.648 1.00 0.00 N ATOM 723 CA ASP A 47 -0.070 -7.304 -7.316 1.00 0.00 C ATOM 724 C ASP A 47 -0.578 -8.555 -6.598 1.00 0.00 C ATOM 725 O ASP A 47 -0.088 -8.919 -5.544 1.00 0.00 O ATOM 726 CB ASP A 47 1.450 -7.188 -7.190 1.00 0.00 C ATOM 727 CG ASP A 47 1.930 -5.937 -7.927 1.00 0.00 C ATOM 728 OD1 ASP A 47 1.951 -5.964 -9.147 1.00 0.00 O ATOM 729 OD2 ASP A 47 2.268 -4.973 -7.261 1.00 0.00 O ATOM 0 H ASP A 47 -0.429 -6.026 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.379 -7.381 -8.358 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.735 -7.136 -6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.929 -8.074 -7.607 1.00 0.00 H new ATOM 734 N ASP A 48 -1.559 -9.212 -7.165 1.00 0.00 N ATOM 735 CA ASP A 48 -2.114 -10.447 -6.526 1.00 0.00 C ATOM 736 C ASP A 48 -1.117 -11.614 -6.602 1.00 0.00 C ATOM 737 O ASP A 48 -1.344 -12.664 -6.030 1.00 0.00 O ATOM 738 CB ASP A 48 -3.380 -10.774 -7.322 1.00 0.00 C ATOM 739 CG ASP A 48 -4.157 -11.884 -6.612 1.00 0.00 C ATOM 740 OD1 ASP A 48 -4.465 -11.711 -5.444 1.00 0.00 O ATOM 741 OD2 ASP A 48 -4.431 -12.889 -7.248 1.00 0.00 O ATOM 0 H ASP A 48 -2.001 -8.946 -8.045 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.319 -10.290 -5.467 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.002 -9.884 -7.418 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.116 -11.089 -8.332 1.00 0.00 H new ATOM 746 N ALA A 49 -0.015 -11.439 -7.289 1.00 0.00 N ATOM 747 CA ALA A 49 0.995 -12.531 -7.391 1.00 0.00 C ATOM 748 C ALA A 49 1.976 -12.429 -6.223 1.00 0.00 C ATOM 749 O ALA A 49 2.529 -13.416 -5.776 1.00 0.00 O ATOM 750 CB ALA A 49 1.712 -12.289 -8.719 1.00 0.00 C ATOM 0 H ALA A 49 0.227 -10.581 -7.785 1.00 0.00 H new ATOM 0 HA ALA A 49 0.546 -13.523 -7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.473 -13.055 -8.866 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.991 -12.333 -9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.184 -11.307 -8.704 1.00 0.00 H new ATOM 756 N THR A 50 2.178 -11.239 -5.714 1.00 0.00 N ATOM 757 CA THR A 50 3.103 -11.058 -4.562 1.00 0.00 C ATOM 758 C THR A 50 2.377 -10.344 -3.414 1.00 0.00 C ATOM 759 O THR A 50 2.980 -9.990 -2.420 1.00 0.00 O ATOM 760 CB THR A 50 4.242 -10.191 -5.099 1.00 0.00 C ATOM 761 OG1 THR A 50 3.710 -8.969 -5.593 1.00 0.00 O ATOM 762 CG2 THR A 50 4.957 -10.932 -6.227 1.00 0.00 C ATOM 0 H THR A 50 1.738 -10.383 -6.051 1.00 0.00 H new ATOM 0 HA THR A 50 3.467 -12.007 -4.169 1.00 0.00 H new ATOM 0 HB THR A 50 4.951 -9.981 -4.298 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.438 -8.410 -5.936 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.769 -10.314 -6.610 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.362 -11.870 -5.847 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.250 -11.141 -7.030 1.00 0.00 H new ATOM 770 N LYS A 51 1.080 -10.119 -3.544 1.00 0.00 N ATOM 771 CA LYS A 51 0.313 -9.418 -2.462 1.00 0.00 C ATOM 772 C LYS A 51 0.985 -8.087 -2.116 1.00 0.00 C ATOM 773 O LYS A 51 1.067 -7.706 -0.962 1.00 0.00 O ATOM 774 CB LYS A 51 0.338 -10.367 -1.257 1.00 0.00 C ATOM 775 CG LYS A 51 -0.399 -11.666 -1.605 1.00 0.00 C ATOM 776 CD LYS A 51 -1.812 -11.633 -1.016 1.00 0.00 C ATOM 777 CE LYS A 51 -2.618 -12.819 -1.548 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.980 -12.273 -1.808 1.00 0.00 N ATOM 0 H LYS A 51 0.525 -10.393 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.708 -9.190 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.368 -10.586 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.132 -9.890 -0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.449 -11.788 -2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.149 -12.522 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.764 -11.672 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.305 -10.698 -1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.174 -13.222 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.650 -13.632 -0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.593 -13.029 -2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.381 -11.903 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.919 -11.506 -2.507 1.00 0.00 H new ATOM 792 N THR A 52 1.478 -7.388 -3.107 1.00 0.00 N ATOM 793 CA THR A 52 2.158 -6.083 -2.835 1.00 0.00 C ATOM 794 C THR A 52 1.672 -4.998 -3.802 1.00 0.00 C ATOM 795 O THR A 52 1.384 -5.264 -4.952 1.00 0.00 O ATOM 796 CB THR A 52 3.645 -6.364 -3.054 1.00 0.00 C ATOM 797 OG1 THR A 52 4.044 -7.455 -2.236 1.00 0.00 O ATOM 798 CG2 THR A 52 4.460 -5.123 -2.687 1.00 0.00 C ATOM 0 H THR A 52 1.440 -7.662 -4.089 1.00 0.00 H new ATOM 0 HA THR A 52 1.947 -5.717 -1.830 1.00 0.00 H new ATOM 0 HB THR A 52 3.818 -6.612 -4.101 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.651 -8.284 -2.581 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.520 -5.324 -2.843 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.153 -4.287 -3.315 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.289 -4.872 -1.640 1.00 0.00 H new ATOM 806 N PHE A 53 1.593 -3.773 -3.340 1.00 0.00 N ATOM 807 CA PHE A 53 1.143 -2.657 -4.228 1.00 0.00 C ATOM 808 C PHE A 53 2.368 -1.916 -4.777 1.00 0.00 C ATOM 809 O PHE A 53 3.485 -2.178 -4.366 1.00 0.00 O ATOM 810 CB PHE A 53 0.318 -1.733 -3.328 1.00 0.00 C ATOM 811 CG PHE A 53 -0.948 -2.432 -2.889 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.895 -3.424 -1.900 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.177 -2.085 -3.466 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.072 -4.069 -1.489 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.349 -2.731 -3.054 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.296 -3.721 -2.067 1.00 0.00 C ATOM 0 H PHE A 53 1.821 -3.499 -2.385 1.00 0.00 H new ATOM 0 HA PHE A 53 0.562 -3.009 -5.080 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.904 -1.443 -2.456 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.070 -0.817 -3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.051 -3.692 -1.454 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.220 -1.320 -4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.032 -4.833 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.296 -2.464 -3.499 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.202 -4.217 -1.751 1.00 0.00 H new ATOM 826 N THR A 54 2.178 -0.980 -5.682 1.00 0.00 N ATOM 827 CA THR A 54 3.345 -0.223 -6.225 1.00 0.00 C ATOM 828 C THR A 54 2.971 1.252 -6.258 1.00 0.00 C ATOM 829 O THR A 54 2.121 1.668 -7.023 1.00 0.00 O ATOM 830 CB THR A 54 3.606 -0.758 -7.645 1.00 0.00 C ATOM 831 OG1 THR A 54 2.947 -2.006 -7.835 1.00 0.00 O ATOM 832 CG2 THR A 54 5.111 -0.948 -7.844 1.00 0.00 C ATOM 0 H THR A 54 1.270 -0.713 -6.063 1.00 0.00 H new ATOM 0 HA THR A 54 4.242 -0.343 -5.618 1.00 0.00 H new ATOM 0 HB THR A 54 3.220 -0.040 -8.369 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.628 -2.070 -8.760 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.300 -1.327 -8.848 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.619 0.008 -7.715 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.488 -1.661 -7.110 1.00 0.00 H new ATOM 840 N VAL A 55 3.577 2.035 -5.412 1.00 0.00 N ATOM 841 CA VAL A 55 3.231 3.489 -5.362 1.00 0.00 C ATOM 842 C VAL A 55 4.450 4.349 -5.718 1.00 0.00 C ATOM 843 O VAL A 55 5.577 3.963 -5.517 1.00 0.00 O ATOM 844 CB VAL A 55 2.684 3.774 -3.916 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.329 2.861 -2.866 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.937 5.234 -3.499 1.00 0.00 C ATOM 0 H VAL A 55 4.296 1.736 -4.753 1.00 0.00 H new ATOM 0 HA VAL A 55 2.469 3.748 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 55 1.613 3.577 -3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.921 3.093 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.118 1.820 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.407 3.020 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.547 5.398 -2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.008 5.435 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.435 5.904 -4.197 1.00 0.00 H new ATOM 856 N THR A 56 4.206 5.522 -6.239 1.00 0.00 N ATOM 857 CA THR A 56 5.331 6.434 -6.601 1.00 0.00 C ATOM 858 C THR A 56 4.815 7.872 -6.711 1.00 0.00 C ATOM 859 O THR A 56 3.699 8.164 -6.327 1.00 0.00 O ATOM 860 CB THR A 56 5.886 5.897 -7.936 1.00 0.00 C ATOM 861 OG1 THR A 56 7.175 6.448 -8.161 1.00 0.00 O ATOM 862 CG2 THR A 56 4.977 6.255 -9.115 1.00 0.00 C ATOM 0 H THR A 56 3.274 5.889 -6.430 1.00 0.00 H new ATOM 0 HA THR A 56 6.121 6.456 -5.850 1.00 0.00 H new ATOM 0 HB THR A 56 5.937 4.810 -7.866 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.459 6.253 -9.078 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.403 5.859 -10.037 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.989 5.823 -8.957 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.891 7.339 -9.192 1.00 0.00 H new ATOM 870 N GLU A 57 5.617 8.767 -7.224 1.00 0.00 N ATOM 871 CA GLU A 57 5.170 10.185 -7.353 1.00 0.00 C ATOM 872 C GLU A 57 5.372 10.676 -8.789 1.00 0.00 C ATOM 873 O GLU A 57 4.939 11.779 -9.084 1.00 0.00 O ATOM 874 CB GLU A 57 6.055 10.971 -6.386 1.00 0.00 C ATOM 875 CG GLU A 57 5.434 12.346 -6.125 1.00 0.00 C ATOM 876 CD GLU A 57 6.321 13.130 -5.157 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.227 13.800 -5.624 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.077 13.050 -3.964 1.00 0.00 O ATOM 879 OXT GLU A 57 5.956 9.942 -9.569 1.00 0.00 O ATOM 0 H GLU A 57 6.562 8.578 -7.559 1.00 0.00 H new ATOM 0 HA GLU A 57 4.111 10.306 -7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.162 10.425 -5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.055 11.086 -6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.328 12.893 -7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.434 12.232 -5.707 1.00 0.00 H new