USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 621 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 53 SER OG : rot -78:sc= 2.98 USER MOD Set 1.2: A 55 SER OG : rot 63:sc= 1.28 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 21:sc= 0.899 USER MOD Single : A 4 LYS NZ :NH3+ -158:sc= 0.677 (180deg=-1.45!) USER MOD Single : A 12 MET CE :methyl 163:sc= -1.1 (180deg=-2.34) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0563 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc=-0.00167 (180deg=-0.0994) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 37 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.18) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 45:sc= 0.762 USER MOD Single : A 47 TYR OH : rot -55:sc= 1.25 USER MOD Single : A 48 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.53) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -110:sc= 1.21 (180deg=-0.234) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 139:sc= -1.2! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -152:sc= -0.346 (180deg=-1.04) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= 1.11 (180deg=1.01) USER MOD Single : A 74 GLN : amide:sc=-0.00778 K(o=-0.0078,f=-1.7!) USER MOD Single : A 76 SER OG : rot -47:sc= 0.715 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.534 17.550 8.280 1.00 10.00 N ATOM 2 CA MET A 1 3.237 17.119 8.830 1.00 10.00 C ATOM 3 C MET A 1 2.743 15.945 7.988 1.00 10.00 C ATOM 4 O MET A 1 1.937 16.143 7.084 1.00 10.00 O ATOM 5 CB MET A 1 2.224 18.276 8.817 1.00 10.00 C ATOM 6 CG MET A 1 2.500 19.367 9.862 1.00 10.00 C ATOM 7 SD MET A 1 1.342 20.757 9.765 1.00 10.00 S ATOM 8 CE MET A 1 1.896 21.751 11.167 1.00 10.00 C ATOM 0 H1 MET A 1 4.897 18.351 8.835 1.00 10.00 H new ATOM 0 H2 MET A 1 5.210 16.761 8.327 1.00 10.00 H new ATOM 0 H3 MET A 1 4.411 17.842 7.289 1.00 10.00 H new ATOM 0 HA MET A 1 3.350 16.812 9.870 1.00 10.00 H new ATOM 0 HB2 MET A 1 2.221 18.730 7.826 1.00 10.00 H new ATOM 0 HB3 MET A 1 1.226 17.872 8.985 1.00 10.00 H new ATOM 0 HG2 MET A 1 2.448 18.928 10.858 1.00 10.00 H new ATOM 0 HG3 MET A 1 3.516 19.739 9.730 1.00 10.00 H new ATOM 0 HE1 MET A 1 1.280 22.647 11.244 1.00 10.00 H new ATOM 0 HE2 MET A 1 1.805 21.169 12.084 1.00 10.00 H new ATOM 0 HE3 MET A 1 2.937 22.038 11.021 1.00 10.00 H new ATOM 20 N THR A 2 3.293 14.749 8.231 1.00 10.00 N ATOM 21 CA THR A 2 3.129 13.591 7.356 1.00 10.00 C ATOM 22 C THR A 2 3.494 13.907 5.891 1.00 10.00 C ATOM 23 O THR A 2 4.073 14.963 5.627 1.00 10.00 O ATOM 24 CB THR A 2 1.753 12.927 7.574 1.00 10.00 C ATOM 25 OG1 THR A 2 0.674 13.832 7.473 1.00 10.00 O ATOM 26 CG2 THR A 2 1.666 12.279 8.957 1.00 10.00 C ATOM 0 H THR A 2 3.870 14.560 9.051 1.00 10.00 H new ATOM 0 HA THR A 2 3.857 12.830 7.637 1.00 10.00 H new ATOM 0 HB THR A 2 1.672 12.184 6.781 1.00 10.00 H new ATOM 0 HG1 THR A 2 0.956 14.622 6.966 1.00 10.00 H new ATOM 0 HG21 THR A 2 0.686 11.819 9.082 1.00 10.00 H new ATOM 0 HG22 THR A 2 2.439 11.516 9.051 1.00 10.00 H new ATOM 0 HG23 THR A 2 1.811 13.039 9.725 1.00 10.00 H new ATOM 34 N GLU A 3 3.192 13.007 4.950 1.00 10.00 N ATOM 35 CA GLU A 3 3.117 13.298 3.534 1.00 10.00 C ATOM 36 C GLU A 3 1.926 12.514 2.990 1.00 10.00 C ATOM 37 O GLU A 3 1.302 11.739 3.717 1.00 10.00 O ATOM 38 CB GLU A 3 4.438 12.955 2.822 1.00 10.00 C ATOM 39 CG GLU A 3 4.724 11.449 2.673 1.00 10.00 C ATOM 40 CD GLU A 3 6.062 11.195 1.980 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.920 12.100 2.048 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.219 10.090 1.414 1.00 10.00 O ATOM 0 H GLU A 3 2.989 12.032 5.169 1.00 10.00 H new ATOM 0 HA GLU A 3 2.970 14.363 3.353 1.00 10.00 H new ATOM 0 HB2 GLU A 3 4.427 13.407 1.830 1.00 10.00 H new ATOM 0 HB3 GLU A 3 5.260 13.413 3.372 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.729 10.980 3.657 1.00 10.00 H new ATOM 0 HG3 GLU A 3 3.923 10.981 2.101 1.00 10.00 H new ATOM 49 N LYS A 4 1.632 12.727 1.712 1.00 10.00 N ATOM 50 CA LYS A 4 0.652 11.991 0.940 1.00 10.00 C ATOM 51 C LYS A 4 1.375 11.356 -0.244 1.00 10.00 C ATOM 52 O LYS A 4 2.151 12.036 -0.910 1.00 10.00 O ATOM 53 CB LYS A 4 -0.459 12.934 0.455 1.00 10.00 C ATOM 54 CG LYS A 4 -1.121 13.742 1.583 1.00 10.00 C ATOM 55 CD LYS A 4 -2.359 14.477 1.043 1.00 10.00 C ATOM 56 CE LYS A 4 -3.203 15.160 2.132 1.00 10.00 C ATOM 57 NZ LYS A 4 -3.896 14.198 3.019 1.00 10.00 N ATOM 0 H LYS A 4 2.095 13.453 1.166 1.00 10.00 H new ATOM 0 HA LYS A 4 0.185 11.219 1.551 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -0.043 13.625 -0.278 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.223 12.348 -0.057 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -1.408 13.077 2.398 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -0.411 14.460 1.993 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -2.037 15.228 0.322 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -2.985 13.766 0.504 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -2.559 15.801 2.734 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -3.942 15.806 1.658 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -4.709 14.664 3.469 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -4.228 13.387 2.459 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -3.238 13.866 3.753 1.00 10.00 H new ATOM 71 N ALA A 5 1.129 10.070 -0.493 1.00 10.00 N ATOM 72 CA ALA A 5 1.707 9.306 -1.587 1.00 10.00 C ATOM 73 C ALA A 5 0.607 8.438 -2.199 1.00 10.00 C ATOM 74 O ALA A 5 -0.407 8.185 -1.546 1.00 10.00 O ATOM 75 CB ALA A 5 2.854 8.453 -1.044 1.00 10.00 C ATOM 0 H ALA A 5 0.498 9.516 0.086 1.00 10.00 H new ATOM 0 HA ALA A 5 2.108 9.962 -2.360 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.295 7.876 -1.857 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.613 9.101 -0.606 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.473 7.774 -0.282 1.00 10.00 H new ATOM 81 N GLU A 6 0.777 7.980 -3.440 1.00 10.00 N ATOM 82 CA GLU A 6 -0.230 7.189 -4.122 1.00 10.00 C ATOM 83 C GLU A 6 0.490 6.148 -4.958 1.00 10.00 C ATOM 84 O GLU A 6 1.500 6.457 -5.595 1.00 10.00 O ATOM 85 CB GLU A 6 -1.123 8.090 -4.979 1.00 10.00 C ATOM 86 CG GLU A 6 -2.385 7.374 -5.470 1.00 10.00 C ATOM 87 CD GLU A 6 -3.246 8.296 -6.325 1.00 10.00 C ATOM 88 OE1 GLU A 6 -3.716 9.308 -5.761 1.00 10.00 O ATOM 89 OE2 GLU A 6 -3.430 7.963 -7.516 1.00 10.00 O ATOM 0 H GLU A 6 1.617 8.150 -3.993 1.00 10.00 H new ATOM 0 HA GLU A 6 -0.883 6.690 -3.407 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.410 8.968 -4.400 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.555 8.447 -5.838 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.105 6.494 -6.049 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -2.963 7.023 -4.615 1.00 10.00 H new ATOM 96 N PHE A 7 -0.007 4.912 -4.916 1.00 10.00 N ATOM 97 CA PHE A 7 0.590 3.769 -5.566 1.00 10.00 C ATOM 98 C PHE A 7 -0.467 2.990 -6.332 1.00 10.00 C ATOM 99 O PHE A 7 -1.594 2.836 -5.864 1.00 10.00 O ATOM 100 CB PHE A 7 1.231 2.849 -4.537 1.00 10.00 C ATOM 101 CG PHE A 7 2.037 3.520 -3.442 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.977 4.507 -3.775 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.856 3.161 -2.096 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.596 5.263 -2.769 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.548 3.857 -1.090 1.00 10.00 C ATOM 106 CZ PHE A 7 3.381 4.938 -1.421 1.00 10.00 C ATOM 0 H PHE A 7 -0.863 4.682 -4.411 1.00 10.00 H new ATOM 0 HA PHE A 7 1.353 4.130 -6.256 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.443 2.259 -4.069 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.883 2.151 -5.062 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.225 4.685 -4.811 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.188 2.354 -1.835 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.236 6.093 -3.031 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.439 3.559 -0.058 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.854 5.517 -0.641 1.00 10.00 H new ATOM 116 N ASP A 8 -0.062 2.474 -7.487 1.00 10.00 N ATOM 117 CA ASP A 8 -0.873 1.734 -8.428 1.00 10.00 C ATOM 118 C ASP A 8 -0.624 0.274 -8.108 1.00 10.00 C ATOM 119 O ASP A 8 0.542 -0.097 -7.959 1.00 10.00 O ATOM 120 CB ASP A 8 -0.373 2.062 -9.839 1.00 10.00 C ATOM 121 CG ASP A 8 -1.489 2.040 -10.860 1.00 10.00 C ATOM 122 OD1 ASP A 8 -2.191 1.016 -10.921 1.00 10.00 O ATOM 123 OD2 ASP A 8 -1.637 3.076 -11.548 1.00 10.00 O ATOM 0 H ASP A 8 0.902 2.571 -7.804 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.935 1.974 -8.369 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.096 3.046 -9.837 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.395 1.344 -10.127 1.00 10.00 H new ATOM 128 N ILE A 9 -1.673 -0.521 -7.913 1.00 10.00 N ATOM 129 CA ILE A 9 -1.548 -1.920 -7.541 1.00 10.00 C ATOM 130 C ILE A 9 -2.076 -2.790 -8.673 1.00 10.00 C ATOM 131 O ILE A 9 -3.082 -2.452 -9.285 1.00 10.00 O ATOM 132 CB ILE A 9 -2.248 -2.193 -6.209 1.00 10.00 C ATOM 133 CG1 ILE A 9 -1.943 -1.010 -5.275 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.717 -3.522 -5.638 1.00 10.00 C ATOM 135 CD1 ILE A 9 -2.289 -1.362 -3.848 1.00 10.00 C ATOM 0 H ILE A 9 -2.638 -0.207 -8.010 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.498 -2.171 -7.389 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.328 -2.285 -6.324 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.888 -0.746 -5.345 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -2.512 -0.135 -5.589 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.207 -3.731 -4.687 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.927 -4.329 -6.340 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.641 -3.447 -5.483 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -2.067 -0.514 -3.200 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.350 -1.603 -3.780 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -1.700 -2.223 -3.533 1.00 10.00 H new ATOM 147 N GLU A 10 -1.391 -3.902 -8.938 1.00 10.00 N ATOM 148 CA GLU A 10 -1.776 -4.879 -9.937 1.00 10.00 C ATOM 149 C GLU A 10 -1.917 -6.229 -9.241 1.00 10.00 C ATOM 150 O GLU A 10 -0.931 -6.771 -8.734 1.00 10.00 O ATOM 151 CB GLU A 10 -0.689 -4.985 -11.005 1.00 10.00 C ATOM 152 CG GLU A 10 -0.409 -3.661 -11.732 1.00 10.00 C ATOM 153 CD GLU A 10 0.769 -3.797 -12.690 1.00 10.00 C ATOM 154 OE1 GLU A 10 0.609 -4.539 -13.683 1.00 10.00 O ATOM 155 OE2 GLU A 10 1.822 -3.182 -12.402 1.00 10.00 O ATOM 0 H GLU A 10 -0.531 -4.148 -8.447 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.712 -4.582 -10.409 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.232 -5.336 -10.540 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.983 -5.737 -11.737 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -1.296 -3.351 -12.284 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -0.199 -2.879 -11.002 1.00 10.00 H new ATOM 162 N GLY A 11 -3.127 -6.779 -9.254 1.00 10.00 N ATOM 163 CA GLY A 11 -3.382 -8.178 -8.922 1.00 10.00 C ATOM 164 C GLY A 11 -4.453 -8.378 -7.857 1.00 10.00 C ATOM 165 O GLY A 11 -4.809 -9.518 -7.561 1.00 10.00 O ATOM 0 H GLY A 11 -3.970 -6.259 -9.499 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.681 -8.707 -9.827 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.453 -8.634 -8.579 1.00 10.00 H new ATOM 169 N MET A 12 -4.968 -7.301 -7.261 1.00 10.00 N ATOM 170 CA MET A 12 -5.979 -7.394 -6.223 1.00 10.00 C ATOM 171 C MET A 12 -7.340 -7.751 -6.825 1.00 10.00 C ATOM 172 O MET A 12 -8.242 -6.926 -6.916 1.00 10.00 O ATOM 173 CB MET A 12 -6.005 -6.100 -5.411 1.00 10.00 C ATOM 174 CG MET A 12 -6.093 -4.835 -6.278 1.00 10.00 C ATOM 175 SD MET A 12 -6.545 -3.341 -5.373 1.00 10.00 S ATOM 176 CE MET A 12 -5.331 -3.517 -4.061 1.00 10.00 C ATOM 0 H MET A 12 -4.693 -6.346 -7.488 1.00 10.00 H new ATOM 0 HA MET A 12 -5.729 -8.202 -5.535 1.00 10.00 H new ATOM 0 HB2 MET A 12 -6.856 -6.124 -4.730 1.00 10.00 H new ATOM 0 HB3 MET A 12 -5.106 -6.048 -4.796 1.00 10.00 H new ATOM 0 HG2 MET A 12 -5.130 -4.674 -6.763 1.00 10.00 H new ATOM 0 HG3 MET A 12 -6.824 -5.001 -7.069 1.00 10.00 H new ATOM 0 HE1 MET A 12 -5.213 -2.564 -3.545 1.00 10.00 H new ATOM 0 HE2 MET A 12 -5.668 -4.274 -3.353 1.00 10.00 H new ATOM 0 HE3 MET A 12 -4.375 -3.819 -4.488 1.00 10.00 H new ATOM 186 N THR A 13 -7.509 -9.011 -7.212 1.00 10.00 N ATOM 187 CA THR A 13 -8.749 -9.507 -7.769 1.00 10.00 C ATOM 188 C THR A 13 -9.827 -9.564 -6.692 1.00 10.00 C ATOM 189 O THR A 13 -11.011 -9.499 -7.017 1.00 10.00 O ATOM 190 CB THR A 13 -8.491 -10.886 -8.388 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.648 -11.650 -7.543 1.00 10.00 O ATOM 192 CG2 THR A 13 -7.789 -10.725 -9.740 1.00 10.00 C ATOM 0 H THR A 13 -6.778 -9.719 -7.144 1.00 10.00 H new ATOM 0 HA THR A 13 -9.109 -8.835 -8.547 1.00 10.00 H new ATOM 0 HB THR A 13 -9.449 -11.390 -8.515 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.491 -12.529 -7.946 1.00 10.00 H new ATOM 0 HG21 THR A 13 -7.608 -11.708 -10.175 1.00 10.00 H new ATOM 0 HG22 THR A 13 -8.420 -10.142 -10.410 1.00 10.00 H new ATOM 0 HG23 THR A 13 -6.839 -10.211 -9.598 1.00 10.00 H new ATOM 200 N CYS A 14 -9.423 -9.706 -5.423 1.00 10.00 N ATOM 201 CA CYS A 14 -10.322 -9.920 -4.308 1.00 10.00 C ATOM 202 C CYS A 14 -10.108 -8.871 -3.215 1.00 10.00 C ATOM 203 O CYS A 14 -8.981 -8.507 -2.889 1.00 10.00 O ATOM 204 CB CYS A 14 -10.166 -11.366 -3.817 1.00 10.00 C ATOM 205 SG CYS A 14 -8.482 -12.043 -3.823 1.00 10.00 S ATOM 0 H CYS A 14 -8.441 -9.673 -5.149 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.357 -9.790 -4.625 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -10.554 -11.425 -2.800 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.794 -12.007 -4.436 1.00 10.00 H new ATOM 210 N ALA A 15 -11.200 -8.392 -2.613 1.00 10.00 N ATOM 211 CA ALA A 15 -11.157 -7.375 -1.564 1.00 10.00 C ATOM 212 C ALA A 15 -10.272 -7.793 -0.380 1.00 10.00 C ATOM 213 O ALA A 15 -9.744 -6.944 0.340 1.00 10.00 O ATOM 214 CB ALA A 15 -12.580 -7.065 -1.096 1.00 10.00 C ATOM 0 H ALA A 15 -12.144 -8.702 -2.843 1.00 10.00 H new ATOM 0 HA ALA A 15 -10.707 -6.476 -1.986 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.549 -6.307 -0.314 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.167 -6.695 -1.937 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.040 -7.972 -0.704 1.00 10.00 H new ATOM 220 N ALA A 16 -10.105 -9.104 -0.180 1.00 10.00 N ATOM 221 CA ALA A 16 -9.156 -9.655 0.773 1.00 10.00 C ATOM 222 C ALA A 16 -7.738 -9.153 0.483 1.00 10.00 C ATOM 223 O ALA A 16 -7.044 -8.720 1.403 1.00 10.00 O ATOM 224 CB ALA A 16 -9.221 -11.184 0.733 1.00 10.00 C ATOM 0 H ALA A 16 -10.635 -9.815 -0.685 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.421 -9.319 1.776 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -8.509 -11.597 1.448 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.228 -11.512 0.992 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -8.972 -11.533 -0.269 1.00 10.00 H new ATOM 230 N CYS A 17 -7.309 -9.202 -0.784 1.00 10.00 N ATOM 231 CA CYS A 17 -5.990 -8.755 -1.209 1.00 10.00 C ATOM 232 C CYS A 17 -5.799 -7.301 -0.804 1.00 10.00 C ATOM 233 O CYS A 17 -4.817 -6.940 -0.155 1.00 10.00 O ATOM 234 CB CYS A 17 -5.870 -8.917 -2.729 1.00 10.00 C ATOM 235 SG CYS A 17 -5.960 -10.639 -3.272 1.00 10.00 S ATOM 0 H CYS A 17 -7.882 -9.559 -1.549 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.215 -9.354 -0.731 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -6.665 -8.349 -3.212 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -4.924 -8.488 -3.060 1.00 10.00 H new ATOM 240 N ALA A 18 -6.778 -6.478 -1.167 1.00 10.00 N ATOM 241 CA ALA A 18 -6.808 -5.074 -0.811 1.00 10.00 C ATOM 242 C ALA A 18 -6.700 -4.888 0.706 1.00 10.00 C ATOM 243 O ALA A 18 -5.787 -4.219 1.179 1.00 10.00 O ATOM 244 CB ALA A 18 -8.055 -4.449 -1.433 1.00 10.00 C ATOM 0 H ALA A 18 -7.579 -6.776 -1.723 1.00 10.00 H new ATOM 0 HA ALA A 18 -5.941 -4.550 -1.214 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.098 -3.390 -1.177 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.015 -4.559 -2.517 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -8.943 -4.951 -1.050 1.00 10.00 H new ATOM 250 N ASN A 19 -7.571 -5.524 1.494 1.00 10.00 N ATOM 251 CA ASN A 19 -7.486 -5.444 2.954 1.00 10.00 C ATOM 252 C ASN A 19 -6.106 -5.863 3.474 1.00 10.00 C ATOM 253 O ASN A 19 -5.602 -5.306 4.454 1.00 10.00 O ATOM 254 CB ASN A 19 -8.582 -6.296 3.611 1.00 10.00 C ATOM 255 CG ASN A 19 -9.780 -5.448 4.017 1.00 10.00 C ATOM 256 OD1 ASN A 19 -9.926 -5.095 5.182 1.00 10.00 O ATOM 257 ND2 ASN A 19 -10.650 -5.121 3.067 1.00 10.00 N ATOM 0 H ASN A 19 -8.340 -6.098 1.147 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.638 -4.399 3.226 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -8.904 -7.074 2.919 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.176 -6.799 4.489 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.470 -4.559 3.298 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -10.498 -5.432 2.107 1.00 10.00 H new ATOM 264 N ARG A 20 -5.481 -6.857 2.834 1.00 10.00 N ATOM 265 CA ARG A 20 -4.163 -7.315 3.204 1.00 10.00 C ATOM 266 C ARG A 20 -3.137 -6.184 3.059 1.00 10.00 C ATOM 267 O ARG A 20 -2.202 -6.131 3.860 1.00 10.00 O ATOM 268 CB ARG A 20 -3.791 -8.552 2.373 1.00 10.00 C ATOM 269 CG ARG A 20 -3.801 -9.858 3.179 1.00 10.00 C ATOM 270 CD ARG A 20 -5.221 -10.423 3.275 1.00 10.00 C ATOM 271 NE ARG A 20 -5.253 -11.670 4.060 1.00 10.00 N ATOM 272 CZ ARG A 20 -5.662 -11.804 5.333 1.00 10.00 C ATOM 273 NH1 ARG A 20 -6.061 -10.736 6.033 1.00 10.00 N ATOM 274 NH2 ARG A 20 -5.663 -13.014 5.906 1.00 10.00 N ATOM 0 H ARG A 20 -5.887 -7.359 2.045 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.161 -7.608 4.254 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -4.488 -8.643 1.540 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -2.799 -8.407 1.944 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.145 -10.588 2.706 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -3.408 -9.677 4.179 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -5.877 -9.685 3.736 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -5.607 -10.612 2.273 1.00 10.00 H new ATOM 0 HE ARG A 20 -4.932 -12.516 3.590 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -6.056 -9.812 5.601 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -6.370 -10.846 6.999 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -5.354 -13.829 5.377 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -5.973 -13.121 6.872 1.00 10.00 H new ATOM 288 N ILE A 21 -3.315 -5.277 2.086 1.00 10.00 N ATOM 289 CA ILE A 21 -2.434 -4.117 1.938 1.00 10.00 C ATOM 290 C ILE A 21 -2.423 -3.364 3.261 1.00 10.00 C ATOM 291 O ILE A 21 -1.377 -3.222 3.886 1.00 10.00 O ATOM 292 CB ILE A 21 -2.891 -3.146 0.824 1.00 10.00 C ATOM 293 CG1 ILE A 21 -2.973 -3.776 -0.569 1.00 10.00 C ATOM 294 CG2 ILE A 21 -2.023 -1.879 0.781 1.00 10.00 C ATOM 295 CD1 ILE A 21 -1.613 -3.953 -1.241 1.00 10.00 C ATOM 0 H ILE A 21 -4.061 -5.328 1.393 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.446 -4.484 1.660 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.910 -2.875 1.099 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -3.460 -4.748 -0.491 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -3.604 -3.154 -1.203 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -2.376 -1.223 -0.015 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -2.090 -1.359 1.737 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -0.986 -2.155 0.590 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -1.749 -4.405 -2.224 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -1.133 -2.981 -1.352 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -0.986 -4.600 -0.628 1.00 10.00 H new ATOM 307 N GLU A 22 -3.594 -2.891 3.682 1.00 10.00 N ATOM 308 CA GLU A 22 -3.730 -1.966 4.794 1.00 10.00 C ATOM 309 C GLU A 22 -3.154 -2.591 6.060 1.00 10.00 C ATOM 310 O GLU A 22 -2.412 -1.948 6.807 1.00 10.00 O ATOM 311 CB GLU A 22 -5.199 -1.556 4.958 1.00 10.00 C ATOM 312 CG GLU A 22 -5.778 -1.099 3.611 1.00 10.00 C ATOM 313 CD GLU A 22 -7.027 -0.225 3.717 1.00 10.00 C ATOM 314 OE1 GLU A 22 -7.322 0.234 4.841 1.00 10.00 O ATOM 315 OE2 GLU A 22 -7.666 -0.025 2.659 1.00 10.00 O ATOM 0 H GLU A 22 -4.483 -3.145 3.252 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.163 -1.057 4.594 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -5.777 -2.396 5.344 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.280 -0.751 5.688 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.010 -0.547 3.069 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.017 -1.980 3.016 1.00 10.00 H new ATOM 322 N LYS A 23 -3.455 -3.874 6.269 1.00 10.00 N ATOM 323 CA LYS A 23 -2.862 -4.658 7.323 1.00 10.00 C ATOM 324 C LYS A 23 -1.332 -4.653 7.230 1.00 10.00 C ATOM 325 O LYS A 23 -0.666 -4.357 8.220 1.00 10.00 O ATOM 326 CB LYS A 23 -3.437 -6.072 7.239 1.00 10.00 C ATOM 327 CG LYS A 23 -4.772 -6.214 7.989 1.00 10.00 C ATOM 328 CD LYS A 23 -4.856 -7.525 8.790 1.00 10.00 C ATOM 329 CE LYS A 23 -3.953 -7.486 10.041 1.00 10.00 C ATOM 330 NZ LYS A 23 -4.118 -8.679 10.899 1.00 10.00 N ATOM 0 H LYS A 23 -4.125 -4.391 5.699 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.103 -4.225 8.294 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -3.583 -6.339 6.192 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.716 -6.778 7.651 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.897 -5.369 8.666 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.594 -6.175 7.274 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -5.888 -7.702 9.091 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.562 -8.360 8.154 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.911 -7.408 9.730 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -4.181 -6.592 10.621 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.490 -8.603 11.724 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.105 -8.742 11.220 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.875 -9.533 10.357 1.00 10.00 H new ATOM 344 N ARG A 24 -0.756 -4.997 6.073 1.00 10.00 N ATOM 345 CA ARG A 24 0.697 -5.018 5.948 1.00 10.00 C ATOM 346 C ARG A 24 1.290 -3.642 6.221 1.00 10.00 C ATOM 347 O ARG A 24 2.248 -3.535 6.978 1.00 10.00 O ATOM 348 CB ARG A 24 1.160 -5.548 4.582 1.00 10.00 C ATOM 349 CG ARG A 24 2.180 -6.678 4.779 1.00 10.00 C ATOM 350 CD ARG A 24 1.435 -7.953 5.186 1.00 10.00 C ATOM 351 NE ARG A 24 2.339 -8.995 5.692 1.00 10.00 N ATOM 352 CZ ARG A 24 1.923 -10.208 6.093 1.00 10.00 C ATOM 353 NH1 ARG A 24 0.635 -10.544 5.955 1.00 10.00 N ATOM 354 NH2 ARG A 24 2.786 -11.072 6.638 1.00 10.00 N ATOM 0 H ARG A 24 -1.265 -5.259 5.229 1.00 10.00 H new ATOM 0 HA ARG A 24 1.067 -5.711 6.703 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.304 -5.914 4.015 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.606 -4.741 4.001 1.00 10.00 H new ATOM 0 HG2 ARG A 24 2.739 -6.846 3.859 1.00 10.00 H new ATOM 0 HG3 ARG A 24 2.904 -6.403 5.546 1.00 10.00 H new ATOM 0 HD2 ARG A 24 0.699 -7.711 5.953 1.00 10.00 H new ATOM 0 HD3 ARG A 24 0.885 -8.339 4.327 1.00 10.00 H new ATOM 0 HE ARG A 24 3.336 -8.786 5.742 1.00 10.00 H new ATOM 0 HH11 ARG A 24 -0.024 -9.881 5.547 1.00 10.00 H new ATOM 0 HH12 ARG A 24 0.313 -11.463 6.257 1.00 10.00 H new ATOM 0 HH21 ARG A 24 3.766 -10.811 6.751 1.00 10.00 H new ATOM 0 HH22 ARG A 24 2.465 -11.992 6.941 1.00 10.00 H new ATOM 368 N LEU A 25 0.714 -2.598 5.623 1.00 10.00 N ATOM 369 CA LEU A 25 1.156 -1.232 5.850 1.00 10.00 C ATOM 370 C LEU A 25 1.170 -0.915 7.344 1.00 10.00 C ATOM 371 O LEU A 25 2.192 -0.490 7.879 1.00 10.00 O ATOM 372 CB LEU A 25 0.263 -0.258 5.075 1.00 10.00 C ATOM 373 CG LEU A 25 0.381 -0.405 3.550 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.541 0.613 2.881 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.808 -0.187 3.053 1.00 10.00 C ATOM 0 H LEU A 25 -0.067 -2.680 4.972 1.00 10.00 H new ATOM 0 HA LEU A 25 2.176 -1.120 5.483 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.775 -0.416 5.369 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.522 0.763 5.356 1.00 10.00 H new ATOM 0 HG LEU A 25 0.094 -1.424 3.292 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.464 0.517 1.798 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.570 0.430 3.190 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.247 1.620 3.177 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.837 -0.302 1.969 1.00 10.00 H new ATOM 0 HD22 LEU A 25 2.137 0.817 3.321 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.470 -0.920 3.514 1.00 10.00 H new ATOM 387 N ASN A 26 0.059 -1.180 8.038 1.00 10.00 N ATOM 388 CA ASN A 26 0.003 -1.048 9.488 1.00 10.00 C ATOM 389 C ASN A 26 1.128 -1.850 10.145 1.00 10.00 C ATOM 390 O ASN A 26 1.775 -1.370 11.070 1.00 10.00 O ATOM 391 CB ASN A 26 -1.363 -1.504 10.012 1.00 10.00 C ATOM 392 CG ASN A 26 -2.391 -0.378 9.995 1.00 10.00 C ATOM 393 OD1 ASN A 26 -2.674 0.223 11.025 1.00 10.00 O ATOM 394 ND2 ASN A 26 -2.969 -0.088 8.834 1.00 10.00 N ATOM 0 H ASN A 26 -0.815 -1.488 7.612 1.00 10.00 H new ATOM 0 HA ASN A 26 0.138 0.002 9.746 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -1.725 -2.333 9.404 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.253 -1.878 11.030 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -3.669 0.652 8.784 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -2.713 -0.606 7.993 1.00 10.00 H new ATOM 401 N LYS A 27 1.394 -3.063 9.653 1.00 10.00 N ATOM 402 CA LYS A 27 2.437 -3.922 10.195 1.00 10.00 C ATOM 403 C LYS A 27 3.849 -3.341 10.016 1.00 10.00 C ATOM 404 O LYS A 27 4.781 -3.862 10.624 1.00 10.00 O ATOM 405 CB LYS A 27 2.330 -5.344 9.618 1.00 10.00 C ATOM 406 CG LYS A 27 2.860 -6.366 10.633 1.00 10.00 C ATOM 407 CD LYS A 27 3.049 -7.743 9.989 1.00 10.00 C ATOM 408 CE LYS A 27 3.420 -8.804 11.038 1.00 10.00 C ATOM 409 NZ LYS A 27 4.607 -8.427 11.840 1.00 10.00 N ATOM 0 H LYS A 27 0.889 -3.473 8.867 1.00 10.00 H new ATOM 0 HA LYS A 27 2.272 -3.976 11.271 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.292 -5.568 9.373 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.899 -5.412 8.691 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.810 -6.019 11.040 1.00 10.00 H new ATOM 0 HG3 LYS A 27 2.165 -6.445 11.469 1.00 10.00 H new ATOM 0 HD2 LYS A 27 2.132 -8.038 9.479 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.831 -7.688 9.232 1.00 10.00 H new ATOM 0 HE2 LYS A 27 2.572 -8.962 11.704 1.00 10.00 H new ATOM 0 HE3 LYS A 27 3.612 -9.753 10.537 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 4.904 -9.236 12.422 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 5.383 -8.155 11.204 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 4.368 -7.625 12.458 1.00 10.00 H new ATOM 423 N ILE A 28 4.035 -2.287 9.208 1.00 10.00 N ATOM 424 CA ILE A 28 5.308 -1.562 9.156 1.00 10.00 C ATOM 425 C ILE A 28 5.499 -0.620 10.347 1.00 10.00 C ATOM 426 O ILE A 28 6.579 -0.087 10.586 1.00 10.00 O ATOM 427 CB ILE A 28 5.492 -0.879 7.782 1.00 10.00 C ATOM 428 CG1 ILE A 28 5.363 -1.919 6.655 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.843 -0.159 7.672 1.00 10.00 C ATOM 430 CD1 ILE A 28 5.270 -1.294 5.268 1.00 10.00 C ATOM 0 H ILE A 28 3.318 -1.919 8.582 1.00 10.00 H new ATOM 0 HA ILE A 28 6.114 -2.289 9.253 1.00 10.00 H new ATOM 0 HB ILE A 28 4.708 -0.128 7.683 1.00 10.00 H new ATOM 0 HG12 ILE A 28 6.222 -2.589 6.688 1.00 10.00 H new ATOM 0 HG13 ILE A 28 4.477 -2.529 6.832 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.928 0.306 6.690 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.911 0.608 8.444 1.00 10.00 H new ATOM 0 HG23 ILE A 28 7.651 -0.879 7.804 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.181 -2.081 4.519 1.00 10.00 H new ATOM 0 HD12 ILE A 28 4.395 -0.646 5.219 1.00 10.00 H new ATOM 0 HD13 ILE A 28 6.167 -0.707 5.072 1.00 10.00 H new ATOM 442 N GLU A 29 4.429 -0.453 11.105 1.00 10.00 N ATOM 443 CA GLU A 29 4.330 0.343 12.317 1.00 10.00 C ATOM 444 C GLU A 29 4.822 1.776 12.077 1.00 10.00 C ATOM 445 O GLU A 29 5.396 2.404 12.961 1.00 10.00 O ATOM 446 CB GLU A 29 5.046 -0.376 13.472 1.00 10.00 C ATOM 447 CG GLU A 29 4.455 -1.783 13.696 1.00 10.00 C ATOM 448 CD GLU A 29 5.146 -2.569 14.804 1.00 10.00 C ATOM 449 OE1 GLU A 29 5.706 -1.919 15.714 1.00 10.00 O ATOM 450 OE2 GLU A 29 5.085 -3.816 14.727 1.00 10.00 O ATOM 0 H GLU A 29 3.543 -0.902 10.873 1.00 10.00 H new ATOM 0 HA GLU A 29 3.285 0.442 12.609 1.00 10.00 H new ATOM 0 HB2 GLU A 29 6.111 -0.455 13.252 1.00 10.00 H new ATOM 0 HB3 GLU A 29 4.952 0.212 14.385 1.00 10.00 H new ATOM 0 HG2 GLU A 29 3.396 -1.688 13.936 1.00 10.00 H new ATOM 0 HG3 GLU A 29 4.522 -2.348 12.766 1.00 10.00 H new ATOM 457 N GLY A 30 4.560 2.298 10.872 1.00 10.00 N ATOM 458 CA GLY A 30 4.961 3.640 10.476 1.00 10.00 C ATOM 459 C GLY A 30 4.128 4.167 9.308 1.00 10.00 C ATOM 460 O GLY A 30 4.592 5.033 8.570 1.00 10.00 O ATOM 0 H GLY A 30 4.059 1.790 10.143 1.00 10.00 H new ATOM 0 HA2 GLY A 30 4.860 4.314 11.326 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.015 3.636 10.197 1.00 10.00 H new ATOM 464 N VAL A 31 2.898 3.662 9.147 1.00 10.00 N ATOM 465 CA VAL A 31 1.917 4.177 8.196 1.00 10.00 C ATOM 466 C VAL A 31 0.693 4.615 8.996 1.00 10.00 C ATOM 467 O VAL A 31 0.313 3.921 9.937 1.00 10.00 O ATOM 468 CB VAL A 31 1.565 3.112 7.141 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.457 3.626 6.207 1.00 10.00 C ATOM 470 CG2 VAL A 31 2.806 2.744 6.315 1.00 10.00 C ATOM 0 H VAL A 31 2.555 2.868 9.687 1.00 10.00 H new ATOM 0 HA VAL A 31 2.320 5.027 7.646 1.00 10.00 H new ATOM 0 HB VAL A 31 1.208 2.223 7.661 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.220 2.861 5.468 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -0.435 3.854 6.791 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.799 4.528 5.699 1.00 10.00 H new ATOM 0 HG21 VAL A 31 2.540 1.990 5.574 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.183 3.633 5.809 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.578 2.347 6.975 1.00 10.00 H new ATOM 480 N ALA A 32 0.104 5.767 8.650 1.00 10.00 N ATOM 481 CA ALA A 32 -1.017 6.333 9.389 1.00 10.00 C ATOM 482 C ALA A 32 -2.339 5.950 8.725 1.00 10.00 C ATOM 483 O ALA A 32 -3.233 5.431 9.386 1.00 10.00 O ATOM 484 CB ALA A 32 -0.857 7.853 9.497 1.00 10.00 C ATOM 0 H ALA A 32 0.396 6.328 7.849 1.00 10.00 H new ATOM 0 HA ALA A 32 -1.027 5.924 10.399 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.699 8.269 10.051 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.071 8.085 10.019 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.829 8.288 8.498 1.00 10.00 H new ATOM 490 N ASN A 33 -2.464 6.215 7.421 1.00 10.00 N ATOM 491 CA ASN A 33 -3.664 5.954 6.639 1.00 10.00 C ATOM 492 C ASN A 33 -3.231 5.340 5.312 1.00 10.00 C ATOM 493 O ASN A 33 -2.117 5.581 4.850 1.00 10.00 O ATOM 494 CB ASN A 33 -4.402 7.269 6.364 1.00 10.00 C ATOM 495 CG ASN A 33 -5.164 7.842 7.548 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.817 7.125 8.297 1.00 10.00 O ATOM 497 ND2 ASN A 33 -5.112 9.162 7.701 1.00 10.00 N ATOM 0 H ASN A 33 -1.711 6.628 6.871 1.00 10.00 H new ATOM 0 HA ASN A 33 -4.328 5.282 7.182 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -3.678 8.010 6.025 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.102 7.110 5.544 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -5.626 9.608 8.461 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.558 9.728 7.059 1.00 10.00 H new ATOM 504 N ALA A 34 -4.120 4.566 4.692 1.00 10.00 N ATOM 505 CA ALA A 34 -3.897 3.911 3.411 1.00 10.00 C ATOM 506 C ALA A 34 -5.174 3.252 2.869 1.00 10.00 C ATOM 507 O ALA A 34 -5.142 2.065 2.558 1.00 10.00 O ATOM 508 CB ALA A 34 -2.787 2.866 3.561 1.00 10.00 C ATOM 0 H ALA A 34 -5.043 4.374 5.082 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.597 4.673 2.691 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.618 2.374 2.603 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.868 3.355 3.885 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -3.084 2.124 4.302 1.00 10.00 H new ATOM 514 N PRO A 35 -6.292 3.985 2.735 1.00 10.00 N ATOM 515 CA PRO A 35 -7.522 3.415 2.209 1.00 10.00 C ATOM 516 C PRO A 35 -7.321 2.953 0.759 1.00 10.00 C ATOM 517 O PRO A 35 -7.050 3.768 -0.123 1.00 10.00 O ATOM 518 CB PRO A 35 -8.566 4.531 2.322 1.00 10.00 C ATOM 519 CG PRO A 35 -7.732 5.812 2.272 1.00 10.00 C ATOM 520 CD PRO A 35 -6.447 5.409 2.996 1.00 10.00 C ATOM 0 HA PRO A 35 -7.841 2.530 2.759 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.287 4.490 1.505 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.132 4.457 3.250 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.537 6.128 1.247 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.234 6.641 2.771 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.592 5.973 2.624 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.519 5.608 4.065 1.00 10.00 H new ATOM 528 N VAL A 36 -7.444 1.649 0.501 1.00 10.00 N ATOM 529 CA VAL A 36 -7.328 1.103 -0.844 1.00 10.00 C ATOM 530 C VAL A 36 -8.573 1.454 -1.665 1.00 10.00 C ATOM 531 O VAL A 36 -9.700 1.205 -1.240 1.00 10.00 O ATOM 532 CB VAL A 36 -7.104 -0.412 -0.782 1.00 10.00 C ATOM 533 CG1 VAL A 36 -7.101 -1.010 -2.192 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.760 -0.735 -0.119 1.00 10.00 C ATOM 0 H VAL A 36 -7.626 0.948 1.219 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.465 1.548 -1.339 1.00 10.00 H new ATOM 0 HB VAL A 36 -7.916 -0.842 -0.196 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.941 -2.086 -2.130 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -8.059 -0.813 -2.673 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -6.301 -0.557 -2.778 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.621 -1.816 -0.085 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.952 -0.283 -0.695 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.749 -0.336 0.895 1.00 10.00 H new ATOM 544 N ASN A 37 -8.370 1.994 -2.869 1.00 10.00 N ATOM 545 CA ASN A 37 -9.439 2.399 -3.764 1.00 10.00 C ATOM 546 C ASN A 37 -9.666 1.294 -4.805 1.00 10.00 C ATOM 547 O ASN A 37 -9.110 1.318 -5.912 1.00 10.00 O ATOM 548 CB ASN A 37 -9.092 3.766 -4.360 1.00 10.00 C ATOM 549 CG ASN A 37 -10.201 4.276 -5.266 1.00 10.00 C ATOM 550 OD1 ASN A 37 -10.974 5.157 -4.910 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.275 3.706 -6.458 1.00 10.00 N ATOM 0 H ASN A 37 -7.439 2.162 -3.249 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.387 2.522 -3.240 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -8.920 4.482 -3.556 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.163 3.692 -4.926 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -10.995 3.997 -7.119 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.612 2.975 -6.716 1.00 10.00 H new ATOM 558 N PHE A 38 -10.507 0.322 -4.435 1.00 10.00 N ATOM 559 CA PHE A 38 -10.839 -0.850 -5.243 1.00 10.00 C ATOM 560 C PHE A 38 -11.761 -0.475 -6.411 1.00 10.00 C ATOM 561 O PHE A 38 -12.941 -0.815 -6.431 1.00 10.00 O ATOM 562 CB PHE A 38 -11.462 -1.926 -4.342 1.00 10.00 C ATOM 563 CG PHE A 38 -11.367 -3.340 -4.888 1.00 10.00 C ATOM 564 CD1 PHE A 38 -12.375 -3.867 -5.718 1.00 10.00 C ATOM 565 CD2 PHE A 38 -10.252 -4.132 -4.559 1.00 10.00 C ATOM 566 CE1 PHE A 38 -12.258 -5.174 -6.223 1.00 10.00 C ATOM 567 CE2 PHE A 38 -10.169 -5.459 -5.012 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.161 -5.973 -5.861 1.00 10.00 C ATOM 0 H PHE A 38 -10.989 0.332 -3.536 1.00 10.00 H new ATOM 0 HA PHE A 38 -9.928 -1.254 -5.685 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -10.974 -1.893 -3.368 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.512 -1.683 -4.180 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -13.238 -3.267 -5.967 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -9.457 -3.718 -3.956 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -13.013 -5.564 -6.890 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.342 -6.083 -4.707 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.081 -6.983 -6.236 1.00 10.00 H new ATOM 578 N ALA A 39 -11.208 0.246 -7.385 1.00 10.00 N ATOM 579 CA ALA A 39 -11.866 0.583 -8.644 1.00 10.00 C ATOM 580 C ALA A 39 -10.808 0.978 -9.673 1.00 10.00 C ATOM 581 O ALA A 39 -10.713 0.389 -10.744 1.00 10.00 O ATOM 582 CB ALA A 39 -12.881 1.712 -8.429 1.00 10.00 C ATOM 0 H ALA A 39 -10.262 0.622 -7.317 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.412 -0.284 -9.017 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.364 1.953 -9.376 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.634 1.392 -7.709 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.368 2.595 -8.049 1.00 10.00 H new ATOM 588 N LEU A 40 -9.988 1.967 -9.313 1.00 10.00 N ATOM 589 CA LEU A 40 -8.847 2.425 -10.095 1.00 10.00 C ATOM 590 C LEU A 40 -7.682 1.432 -9.949 1.00 10.00 C ATOM 591 O LEU A 40 -6.760 1.445 -10.757 1.00 10.00 O ATOM 592 CB LEU A 40 -8.421 3.831 -9.627 1.00 10.00 C ATOM 593 CG LEU A 40 -9.500 4.891 -9.565 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.153 6.043 -8.613 1.00 10.00 C ATOM 595 CD2 LEU A 40 -9.814 5.442 -10.950 1.00 10.00 C ATOM 0 H LEU A 40 -10.107 2.485 -8.442 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.129 2.479 -11.146 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -7.980 3.738 -8.635 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.635 4.186 -10.294 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.384 4.393 -9.167 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.964 6.771 -8.612 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.014 5.653 -7.605 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.234 6.525 -8.945 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.592 6.201 -10.872 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.915 5.887 -11.377 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.159 4.633 -11.594 1.00 10.00 H new ATOM 607 N GLU A 41 -7.733 0.601 -8.899 1.00 10.00 N ATOM 608 CA GLU A 41 -6.706 -0.360 -8.497 1.00 10.00 C ATOM 609 C GLU A 41 -5.496 0.427 -7.986 1.00 10.00 C ATOM 610 O GLU A 41 -4.366 0.318 -8.449 1.00 10.00 O ATOM 611 CB GLU A 41 -6.401 -1.412 -9.587 1.00 10.00 C ATOM 612 CG GLU A 41 -6.213 -2.809 -8.953 1.00 10.00 C ATOM 613 CD GLU A 41 -5.757 -3.918 -9.911 1.00 10.00 C ATOM 614 OE1 GLU A 41 -6.098 -3.811 -11.108 1.00 10.00 O ATOM 615 OE2 GLU A 41 -5.130 -4.894 -9.419 1.00 10.00 O ATOM 0 H GLU A 41 -8.539 0.583 -8.274 1.00 10.00 H new ATOM 0 HA GLU A 41 -7.068 -0.981 -7.678 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -7.216 -1.441 -10.311 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.500 -1.129 -10.132 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.483 -2.727 -8.148 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -7.156 -3.112 -8.499 1.00 10.00 H new ATOM 622 N THR A 42 -5.767 1.314 -7.032 1.00 10.00 N ATOM 623 CA THR A 42 -4.787 2.253 -6.510 1.00 10.00 C ATOM 624 C THR A 42 -5.009 2.416 -5.006 1.00 10.00 C ATOM 625 O THR A 42 -6.120 2.202 -4.520 1.00 10.00 O ATOM 626 CB THR A 42 -4.924 3.563 -7.305 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.572 3.342 -8.661 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.085 4.725 -6.774 1.00 10.00 C ATOM 0 H THR A 42 -6.685 1.399 -6.597 1.00 10.00 H new ATOM 0 HA THR A 42 -3.763 1.901 -6.632 1.00 10.00 H new ATOM 0 HB THR A 42 -5.969 3.854 -7.197 1.00 10.00 H new ATOM 0 HG1 THR A 42 -4.663 4.179 -9.163 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.246 5.605 -7.397 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.380 4.948 -5.748 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.030 4.452 -6.797 1.00 10.00 H new ATOM 636 N VAL A 43 -3.955 2.782 -4.273 1.00 10.00 N ATOM 637 CA VAL A 43 -4.015 3.126 -2.860 1.00 10.00 C ATOM 638 C VAL A 43 -3.375 4.500 -2.674 1.00 10.00 C ATOM 639 O VAL A 43 -2.282 4.743 -3.182 1.00 10.00 O ATOM 640 CB VAL A 43 -3.325 2.039 -2.014 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.834 1.879 -2.345 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.495 2.314 -0.514 1.00 10.00 C ATOM 0 H VAL A 43 -3.014 2.847 -4.661 1.00 10.00 H new ATOM 0 HA VAL A 43 -5.049 3.174 -2.519 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.820 1.102 -2.270 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.403 1.099 -1.717 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.722 1.604 -3.394 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.317 2.821 -2.160 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.998 1.531 0.058 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -3.052 3.279 -0.269 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.556 2.328 -0.265 1.00 10.00 H new ATOM 652 N THR A 44 -4.056 5.385 -1.947 1.00 10.00 N ATOM 653 CA THR A 44 -3.559 6.669 -1.504 1.00 10.00 C ATOM 654 C THR A 44 -2.988 6.457 -0.102 1.00 10.00 C ATOM 655 O THR A 44 -3.764 6.374 0.850 1.00 10.00 O ATOM 656 CB THR A 44 -4.773 7.604 -1.469 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.838 6.935 -0.819 1.00 10.00 O ATOM 658 CG2 THR A 44 -5.226 7.981 -2.882 1.00 10.00 C ATOM 0 H THR A 44 -5.013 5.209 -1.641 1.00 10.00 H new ATOM 0 HA THR A 44 -2.786 7.091 -2.147 1.00 10.00 H new ATOM 0 HB THR A 44 -4.494 8.515 -0.939 1.00 10.00 H new ATOM 0 HG1 THR A 44 -5.504 6.498 -0.008 1.00 10.00 H new ATOM 0 HG21 THR A 44 -6.089 8.645 -2.823 1.00 10.00 H new ATOM 0 HG22 THR A 44 -4.413 8.488 -3.402 1.00 10.00 H new ATOM 0 HG23 THR A 44 -5.499 7.079 -3.429 1.00 10.00 H new ATOM 666 N VAL A 45 -1.669 6.314 0.033 1.00 10.00 N ATOM 667 CA VAL A 45 -1.037 6.070 1.319 1.00 10.00 C ATOM 668 C VAL A 45 -0.633 7.396 1.948 1.00 10.00 C ATOM 669 O VAL A 45 0.006 8.231 1.310 1.00 10.00 O ATOM 670 CB VAL A 45 0.156 5.122 1.163 1.00 10.00 C ATOM 671 CG1 VAL A 45 0.899 4.943 2.490 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.350 3.751 0.709 1.00 10.00 C ATOM 0 H VAL A 45 -1.015 6.365 -0.748 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.746 5.581 1.987 1.00 10.00 H new ATOM 0 HB VAL A 45 0.838 5.552 0.429 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.740 4.265 2.347 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.266 5.910 2.835 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.220 4.527 3.234 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.494 3.071 0.596 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.040 3.353 1.453 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.866 3.851 -0.246 1.00 10.00 H new ATOM 682 N GLU A 46 -0.982 7.555 3.222 1.00 10.00 N ATOM 683 CA GLU A 46 -0.600 8.693 4.029 1.00 10.00 C ATOM 684 C GLU A 46 0.207 8.178 5.226 1.00 10.00 C ATOM 685 O GLU A 46 -0.336 7.569 6.149 1.00 10.00 O ATOM 686 CB GLU A 46 -1.874 9.477 4.372 1.00 10.00 C ATOM 687 CG GLU A 46 -2.219 10.387 3.187 1.00 10.00 C ATOM 688 CD GLU A 46 -3.275 11.435 3.475 1.00 10.00 C ATOM 689 OE1 GLU A 46 -3.106 12.197 4.451 1.00 10.00 O ATOM 690 OE2 GLU A 46 -4.145 11.663 2.605 1.00 10.00 O ATOM 0 H GLU A 46 -1.552 6.876 3.727 1.00 10.00 H new ATOM 0 HA GLU A 46 0.054 9.398 3.515 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.697 8.792 4.576 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.722 10.070 5.274 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -1.310 10.889 2.856 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -2.560 9.767 2.358 1.00 10.00 H new ATOM 697 N TYR A 47 1.526 8.389 5.181 1.00 10.00 N ATOM 698 CA TYR A 47 2.467 8.024 6.231 1.00 10.00 C ATOM 699 C TYR A 47 3.286 9.255 6.614 1.00 10.00 C ATOM 700 O TYR A 47 3.143 10.314 5.998 1.00 10.00 O ATOM 701 CB TYR A 47 3.328 6.822 5.794 1.00 10.00 C ATOM 702 CG TYR A 47 4.235 6.981 4.582 1.00 10.00 C ATOM 703 CD1 TYR A 47 5.328 7.864 4.622 1.00 10.00 C ATOM 704 CD2 TYR A 47 4.125 6.095 3.492 1.00 10.00 C ATOM 705 CE1 TYR A 47 6.192 7.979 3.527 1.00 10.00 C ATOM 706 CE2 TYR A 47 4.983 6.219 2.384 1.00 10.00 C ATOM 707 CZ TYR A 47 5.961 7.223 2.371 1.00 10.00 C ATOM 708 OH TYR A 47 6.630 7.519 1.224 1.00 10.00 O ATOM 0 H TYR A 47 1.978 8.834 4.383 1.00 10.00 H new ATOM 0 HA TYR A 47 1.935 7.696 7.124 1.00 10.00 H new ATOM 0 HB2 TYR A 47 3.953 6.537 6.640 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.656 5.987 5.598 1.00 10.00 H new ATOM 0 HD1 TYR A 47 5.503 8.459 5.506 1.00 10.00 H new ATOM 0 HD2 TYR A 47 3.377 5.316 3.507 1.00 10.00 H new ATOM 0 HE1 TYR A 47 7.037 8.651 3.573 1.00 10.00 H new ATOM 0 HE2 TYR A 47 4.888 5.543 1.547 1.00 10.00 H new ATOM 0 HH TYR A 47 6.490 8.462 0.998 1.00 10.00 H new ATOM 718 N ASN A 48 4.154 9.118 7.624 1.00 10.00 N ATOM 719 CA ASN A 48 5.117 10.151 7.977 1.00 10.00 C ATOM 720 C ASN A 48 6.504 9.749 7.479 1.00 10.00 C ATOM 721 O ASN A 48 6.969 8.671 7.854 1.00 10.00 O ATOM 722 CB ASN A 48 5.117 10.418 9.487 1.00 10.00 C ATOM 723 CG ASN A 48 5.798 11.755 9.749 1.00 10.00 C ATOM 724 OD1 ASN A 48 5.148 12.790 9.885 1.00 10.00 O ATOM 725 ND2 ASN A 48 7.124 11.761 9.751 1.00 10.00 N ATOM 0 H ASN A 48 4.203 8.287 8.214 1.00 10.00 H new ATOM 0 HA ASN A 48 4.829 11.083 7.491 1.00 10.00 H new ATOM 0 HB2 ASN A 48 4.096 10.434 9.867 1.00 10.00 H new ATOM 0 HB3 ASN A 48 5.640 9.619 10.012 1.00 10.00 H new ATOM 0 HD21 ASN A 48 7.630 12.639 9.867 1.00 10.00 H new ATOM 0 HD22 ASN A 48 7.638 10.888 9.636 1.00 10.00 H new ATOM 732 N PRO A 49 7.175 10.560 6.640 1.00 10.00 N ATOM 733 CA PRO A 49 8.422 10.184 5.982 1.00 10.00 C ATOM 734 C PRO A 49 9.612 10.285 6.941 1.00 10.00 C ATOM 735 O PRO A 49 10.571 11.012 6.694 1.00 10.00 O ATOM 736 CB PRO A 49 8.545 11.142 4.793 1.00 10.00 C ATOM 737 CG PRO A 49 7.866 12.410 5.305 1.00 10.00 C ATOM 738 CD PRO A 49 6.719 11.852 6.147 1.00 10.00 C ATOM 0 HA PRO A 49 8.419 9.145 5.653 1.00 10.00 H new ATOM 0 HB2 PRO A 49 9.586 11.321 4.525 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.050 10.749 3.905 1.00 10.00 H new ATOM 0 HG2 PRO A 49 8.545 13.023 5.898 1.00 10.00 H new ATOM 0 HG3 PRO A 49 7.504 13.035 4.489 1.00 10.00 H new ATOM 0 HD2 PRO A 49 6.479 12.522 6.973 1.00 10.00 H new ATOM 0 HD3 PRO A 49 5.813 11.744 5.550 1.00 10.00 H new ATOM 746 N LYS A 50 9.553 9.544 8.047 1.00 10.00 N ATOM 747 CA LYS A 50 10.638 9.420 9.004 1.00 10.00 C ATOM 748 C LYS A 50 10.525 8.101 9.788 1.00 10.00 C ATOM 749 O LYS A 50 11.218 7.944 10.790 1.00 10.00 O ATOM 750 CB LYS A 50 10.591 10.644 9.933 1.00 10.00 C ATOM 751 CG LYS A 50 11.902 10.851 10.707 1.00 10.00 C ATOM 752 CD LYS A 50 11.649 10.821 12.219 1.00 10.00 C ATOM 753 CE LYS A 50 12.982 10.870 12.975 1.00 10.00 C ATOM 754 NZ LYS A 50 12.785 10.773 14.436 1.00 10.00 N ATOM 0 H LYS A 50 8.727 9.003 8.303 1.00 10.00 H new ATOM 0 HA LYS A 50 11.599 9.393 8.491 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.378 11.535 9.343 1.00 10.00 H new ATOM 0 HB3 LYS A 50 9.770 10.527 10.641 1.00 10.00 H new ATOM 0 HG2 LYS A 50 12.616 10.073 10.437 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.349 11.805 10.427 1.00 10.00 H new ATOM 0 HD2 LYS A 50 11.026 11.667 12.509 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.103 9.917 12.487 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.621 10.054 12.639 1.00 10.00 H new ATOM 0 HE3 LYS A 50 13.501 11.799 12.739 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 13.708 10.810 14.914 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 12.196 11.566 14.760 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 12.313 9.875 14.664 1.00 10.00 H new ATOM 768 N GLU A 51 9.647 7.184 9.354 1.00 10.00 N ATOM 769 CA GLU A 51 9.292 5.973 10.082 1.00 10.00 C ATOM 770 C GLU A 51 9.326 4.802 9.095 1.00 10.00 C ATOM 771 O GLU A 51 10.135 3.888 9.232 1.00 10.00 O ATOM 772 CB GLU A 51 7.892 6.148 10.701 1.00 10.00 C ATOM 773 CG GLU A 51 7.796 7.265 11.757 1.00 10.00 C ATOM 774 CD GLU A 51 8.203 6.817 13.157 1.00 10.00 C ATOM 775 OE1 GLU A 51 9.306 6.247 13.288 1.00 10.00 O ATOM 776 OE2 GLU A 51 7.406 7.086 14.082 1.00 10.00 O ATOM 0 H GLU A 51 9.156 7.273 8.464 1.00 10.00 H new ATOM 0 HA GLU A 51 9.994 5.776 10.892 1.00 10.00 H new ATOM 0 HB2 GLU A 51 7.179 6.357 9.903 1.00 10.00 H new ATOM 0 HB3 GLU A 51 7.590 5.206 11.159 1.00 10.00 H new ATOM 0 HG2 GLU A 51 8.430 8.097 11.452 1.00 10.00 H new ATOM 0 HG3 GLU A 51 6.772 7.638 11.787 1.00 10.00 H new ATOM 783 N ALA A 52 8.460 4.860 8.077 1.00 10.00 N ATOM 784 CA ALA A 52 8.404 3.935 6.959 1.00 10.00 C ATOM 785 C ALA A 52 8.872 4.669 5.704 1.00 10.00 C ATOM 786 O ALA A 52 9.088 5.881 5.736 1.00 10.00 O ATOM 787 CB ALA A 52 6.949 3.493 6.791 1.00 10.00 C ATOM 0 H ALA A 52 7.750 5.590 8.015 1.00 10.00 H new ATOM 0 HA ALA A 52 9.040 3.066 7.128 1.00 10.00 H new ATOM 0 HB1 ALA A 52 6.875 2.796 5.956 1.00 10.00 H new ATOM 0 HB2 ALA A 52 6.610 3.004 7.704 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.325 4.364 6.593 1.00 10.00 H new ATOM 793 N SER A 53 8.979 3.950 4.586 1.00 10.00 N ATOM 794 CA SER A 53 9.208 4.505 3.278 1.00 10.00 C ATOM 795 C SER A 53 8.373 3.736 2.265 1.00 10.00 C ATOM 796 O SER A 53 7.932 2.614 2.530 1.00 10.00 O ATOM 797 CB SER A 53 10.682 4.363 2.927 1.00 10.00 C ATOM 798 OG SER A 53 11.053 3.008 2.752 1.00 10.00 O ATOM 0 H SER A 53 8.904 2.933 4.580 1.00 10.00 H new ATOM 0 HA SER A 53 8.929 5.559 3.265 1.00 10.00 H new ATOM 0 HB2 SER A 53 10.893 4.918 2.013 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.288 4.807 3.717 1.00 10.00 H new ATOM 0 HG SER A 53 11.163 2.583 3.628 1.00 10.00 H new ATOM 804 N VAL A 54 8.234 4.323 1.075 1.00 10.00 N ATOM 805 CA VAL A 54 7.675 3.643 -0.081 1.00 10.00 C ATOM 806 C VAL A 54 8.483 2.371 -0.379 1.00 10.00 C ATOM 807 O VAL A 54 7.918 1.314 -0.647 1.00 10.00 O ATOM 808 CB VAL A 54 7.558 4.624 -1.259 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.909 5.100 -1.809 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.699 4.048 -2.390 1.00 10.00 C ATOM 0 H VAL A 54 8.509 5.288 0.891 1.00 10.00 H new ATOM 0 HA VAL A 54 6.659 3.304 0.119 1.00 10.00 H new ATOM 0 HB VAL A 54 7.063 5.503 -0.846 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.742 5.789 -2.637 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.464 5.608 -1.021 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.482 4.242 -2.160 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.639 4.769 -3.205 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.149 3.125 -2.755 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.697 3.839 -2.016 1.00 10.00 H new ATOM 820 N SER A 55 9.813 2.459 -0.288 1.00 10.00 N ATOM 821 CA SER A 55 10.736 1.361 -0.514 1.00 10.00 C ATOM 822 C SER A 55 10.502 0.187 0.444 1.00 10.00 C ATOM 823 O SER A 55 10.543 -0.962 0.009 1.00 10.00 O ATOM 824 CB SER A 55 12.170 1.905 -0.431 1.00 10.00 C ATOM 825 OG SER A 55 12.200 3.127 0.288 1.00 10.00 O ATOM 0 H SER A 55 10.286 3.330 -0.046 1.00 10.00 H new ATOM 0 HA SER A 55 10.563 0.950 -1.509 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.814 1.174 0.057 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.565 2.058 -1.435 1.00 10.00 H new ATOM 0 HG SER A 55 11.902 2.972 1.209 1.00 10.00 H new ATOM 831 N ASP A 56 10.256 0.451 1.732 1.00 10.00 N ATOM 832 CA ASP A 56 9.991 -0.618 2.690 1.00 10.00 C ATOM 833 C ASP A 56 8.699 -1.318 2.289 1.00 10.00 C ATOM 834 O ASP A 56 8.654 -2.529 2.069 1.00 10.00 O ATOM 835 CB ASP A 56 9.849 -0.058 4.114 1.00 10.00 C ATOM 836 CG ASP A 56 11.186 0.293 4.741 1.00 10.00 C ATOM 837 OD1 ASP A 56 11.916 -0.656 5.097 1.00 10.00 O ATOM 838 OD2 ASP A 56 11.445 1.510 4.853 1.00 10.00 O ATOM 0 H ASP A 56 10.236 1.390 2.129 1.00 10.00 H new ATOM 0 HA ASP A 56 10.826 -1.319 2.682 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.219 0.831 4.089 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.340 -0.792 4.740 1.00 10.00 H new ATOM 843 N LEU A 57 7.626 -0.529 2.199 1.00 10.00 N ATOM 844 CA LEU A 57 6.299 -1.058 1.957 1.00 10.00 C ATOM 845 C LEU A 57 6.224 -1.785 0.622 1.00 10.00 C ATOM 846 O LEU A 57 5.499 -2.769 0.496 1.00 10.00 O ATOM 847 CB LEU A 57 5.218 0.004 2.198 1.00 10.00 C ATOM 848 CG LEU A 57 5.179 1.214 1.259 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.565 0.914 -0.110 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.370 2.358 1.888 1.00 10.00 C ATOM 0 H LEU A 57 7.661 0.486 2.292 1.00 10.00 H new ATOM 0 HA LEU A 57 6.083 -1.831 2.695 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.247 -0.490 2.148 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.335 0.375 3.216 1.00 10.00 H new ATOM 0 HG LEU A 57 6.222 1.493 1.111 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.572 1.819 -0.718 1.00 10.00 H new ATOM 0 HD12 LEU A 57 5.146 0.138 -0.607 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.538 0.572 0.019 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.353 3.209 1.207 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.350 2.022 2.075 1.00 10.00 H new ATOM 0 HD23 LEU A 57 4.832 2.656 2.829 1.00 10.00 H new ATOM 862 N LYS A 58 7.013 -1.348 -0.359 1.00 10.00 N ATOM 863 CA LYS A 58 7.082 -1.983 -1.659 1.00 10.00 C ATOM 864 C LYS A 58 7.310 -3.490 -1.539 1.00 10.00 C ATOM 865 O LYS A 58 6.521 -4.301 -2.021 1.00 10.00 O ATOM 866 CB LYS A 58 8.223 -1.332 -2.445 1.00 10.00 C ATOM 867 CG LYS A 58 8.380 -1.890 -3.852 1.00 10.00 C ATOM 868 CD LYS A 58 7.000 -1.933 -4.498 1.00 10.00 C ATOM 869 CE LYS A 58 7.038 -1.979 -6.025 1.00 10.00 C ATOM 870 NZ LYS A 58 6.918 -3.350 -6.558 1.00 10.00 N ATOM 0 H LYS A 58 7.624 -0.537 -0.265 1.00 10.00 H new ATOM 0 HA LYS A 58 6.133 -1.846 -2.177 1.00 10.00 H new ATOM 0 HB2 LYS A 58 8.047 -0.258 -2.505 1.00 10.00 H new ATOM 0 HB3 LYS A 58 9.156 -1.472 -1.900 1.00 10.00 H new ATOM 0 HG2 LYS A 58 9.055 -1.265 -4.437 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.817 -2.888 -3.820 1.00 10.00 H new ATOM 0 HD2 LYS A 58 6.463 -2.808 -4.130 1.00 10.00 H new ATOM 0 HD3 LYS A 58 6.434 -1.056 -4.184 1.00 10.00 H new ATOM 0 HE2 LYS A 58 6.228 -1.367 -6.423 1.00 10.00 H new ATOM 0 HE3 LYS A 58 7.972 -1.538 -6.374 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 7.827 -3.643 -6.970 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 6.661 -4.001 -5.788 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 6.181 -3.374 -7.292 1.00 10.00 H new ATOM 884 N GLU A 59 8.408 -3.856 -0.885 1.00 10.00 N ATOM 885 CA GLU A 59 8.760 -5.251 -0.665 1.00 10.00 C ATOM 886 C GLU A 59 7.627 -5.964 0.088 1.00 10.00 C ATOM 887 O GLU A 59 7.333 -7.134 -0.152 1.00 10.00 O ATOM 888 CB GLU A 59 10.105 -5.291 0.075 1.00 10.00 C ATOM 889 CG GLU A 59 10.897 -6.587 -0.158 1.00 10.00 C ATOM 890 CD GLU A 59 10.431 -7.740 0.718 1.00 10.00 C ATOM 891 OE1 GLU A 59 10.241 -7.494 1.929 1.00 10.00 O ATOM 892 OE2 GLU A 59 10.298 -8.858 0.177 1.00 10.00 O ATOM 0 H GLU A 59 9.077 -3.193 -0.494 1.00 10.00 H new ATOM 0 HA GLU A 59 8.879 -5.788 -1.606 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.711 -4.443 -0.243 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.926 -5.172 1.144 1.00 10.00 H new ATOM 0 HG2 GLU A 59 10.808 -6.876 -1.205 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.954 -6.399 0.032 1.00 10.00 H new ATOM 899 N ALA A 60 6.944 -5.227 0.967 1.00 10.00 N ATOM 900 CA ALA A 60 5.893 -5.763 1.820 1.00 10.00 C ATOM 901 C ALA A 60 4.645 -6.117 1.011 1.00 10.00 C ATOM 902 O ALA A 60 4.011 -7.136 1.280 1.00 10.00 O ATOM 903 CB ALA A 60 5.564 -4.799 2.966 1.00 10.00 C ATOM 0 H ALA A 60 7.111 -4.230 1.104 1.00 10.00 H new ATOM 0 HA ALA A 60 6.266 -6.686 2.264 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.776 -5.226 3.586 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.455 -4.637 3.572 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.227 -3.847 2.555 1.00 10.00 H new ATOM 909 N VAL A 61 4.275 -5.289 0.029 1.00 10.00 N ATOM 910 CA VAL A 61 3.155 -5.594 -0.832 1.00 10.00 C ATOM 911 C VAL A 61 3.537 -6.696 -1.812 1.00 10.00 C ATOM 912 O VAL A 61 2.793 -7.660 -1.966 1.00 10.00 O ATOM 913 CB VAL A 61 2.631 -4.336 -1.527 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.941 -3.409 -0.517 1.00 10.00 C ATOM 915 CG2 VAL A 61 3.680 -3.546 -2.303 1.00 10.00 C ATOM 0 H VAL A 61 4.741 -4.406 -0.180 1.00 10.00 H new ATOM 0 HA VAL A 61 2.330 -5.968 -0.226 1.00 10.00 H new ATOM 0 HB VAL A 61 1.919 -4.703 -2.267 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.575 -2.520 -1.030 1.00 10.00 H new ATOM 0 HG12 VAL A 61 1.103 -3.932 -0.056 1.00 10.00 H new ATOM 0 HG13 VAL A 61 2.654 -3.116 0.254 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.214 -2.673 -2.760 1.00 10.00 H new ATOM 0 HG22 VAL A 61 4.468 -3.222 -1.623 1.00 10.00 H new ATOM 0 HG23 VAL A 61 4.109 -4.177 -3.081 1.00 10.00 H new ATOM 925 N ASP A 62 4.718 -6.600 -2.429 1.00 10.00 N ATOM 926 CA ASP A 62 5.222 -7.656 -3.299 1.00 10.00 C ATOM 927 C ASP A 62 5.184 -9.013 -2.568 1.00 10.00 C ATOM 928 O ASP A 62 4.702 -10.000 -3.123 1.00 10.00 O ATOM 929 CB ASP A 62 6.603 -7.284 -3.863 1.00 10.00 C ATOM 930 CG ASP A 62 6.499 -6.620 -5.234 1.00 10.00 C ATOM 931 OD1 ASP A 62 6.134 -5.422 -5.279 1.00 10.00 O ATOM 932 OD2 ASP A 62 6.809 -7.283 -6.245 1.00 10.00 O ATOM 0 H ASP A 62 5.341 -5.798 -2.339 1.00 10.00 H new ATOM 0 HA ASP A 62 4.571 -7.762 -4.167 1.00 10.00 H new ATOM 0 HB2 ASP A 62 7.108 -6.610 -3.171 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.217 -8.181 -3.940 1.00 10.00 H new ATOM 937 N LYS A 63 5.602 -9.058 -1.294 1.00 10.00 N ATOM 938 CA LYS A 63 5.498 -10.236 -0.442 1.00 10.00 C ATOM 939 C LYS A 63 4.088 -10.845 -0.395 1.00 10.00 C ATOM 940 O LYS A 63 3.960 -12.051 -0.188 1.00 10.00 O ATOM 941 CB LYS A 63 5.970 -9.858 0.969 1.00 10.00 C ATOM 942 CG LYS A 63 7.409 -10.307 1.248 1.00 10.00 C ATOM 943 CD LYS A 63 7.934 -9.592 2.500 1.00 10.00 C ATOM 944 CE LYS A 63 9.318 -10.099 2.935 1.00 10.00 C ATOM 945 NZ LYS A 63 9.248 -11.321 3.754 1.00 10.00 N ATOM 0 H LYS A 63 6.028 -8.259 -0.825 1.00 10.00 H new ATOM 0 HA LYS A 63 6.132 -11.011 -0.872 1.00 10.00 H new ATOM 0 HB2 LYS A 63 5.899 -8.778 1.095 1.00 10.00 H new ATOM 0 HB3 LYS A 63 5.303 -10.309 1.704 1.00 10.00 H new ATOM 0 HG2 LYS A 63 7.443 -11.387 1.392 1.00 10.00 H new ATOM 0 HG3 LYS A 63 8.045 -10.079 0.392 1.00 10.00 H new ATOM 0 HD2 LYS A 63 7.988 -8.521 2.306 1.00 10.00 H new ATOM 0 HD3 LYS A 63 7.227 -9.732 3.317 1.00 10.00 H new ATOM 0 HE2 LYS A 63 9.923 -10.295 2.049 1.00 10.00 H new ATOM 0 HE3 LYS A 63 9.825 -9.317 3.500 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 10.209 -11.617 4.018 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 8.695 -11.131 4.614 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 8.790 -12.079 3.208 1.00 10.00 H new ATOM 959 N LEU A 64 3.028 -10.044 -0.540 1.00 10.00 N ATOM 960 CA LEU A 64 1.657 -10.545 -0.538 1.00 10.00 C ATOM 961 C LEU A 64 1.301 -11.250 -1.852 1.00 10.00 C ATOM 962 O LEU A 64 0.339 -12.014 -1.873 1.00 10.00 O ATOM 963 CB LEU A 64 0.669 -9.414 -0.223 1.00 10.00 C ATOM 964 CG LEU A 64 0.737 -8.998 1.256 1.00 10.00 C ATOM 965 CD1 LEU A 64 0.307 -7.541 1.467 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.140 -9.946 2.089 1.00 10.00 C ATOM 0 H LEU A 64 3.099 -9.034 -0.661 1.00 10.00 H new ATOM 0 HA LEU A 64 1.581 -11.294 0.250 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.888 -8.553 -0.854 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.344 -9.737 -0.464 1.00 10.00 H new ATOM 0 HG LEU A 64 1.774 -9.071 1.583 1.00 10.00 H new ATOM 0 HD11 LEU A 64 0.371 -7.292 2.526 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.964 -6.882 0.899 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -0.720 -7.412 1.126 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.095 -9.655 3.139 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.171 -9.888 1.740 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.223 -10.968 1.980 1.00 10.00 H new ATOM 978 N GLY A 65 2.050 -11.015 -2.937 1.00 10.00 N ATOM 979 CA GLY A 65 1.921 -11.765 -4.183 1.00 10.00 C ATOM 980 C GLY A 65 1.603 -10.842 -5.354 1.00 10.00 C ATOM 981 O GLY A 65 2.236 -10.926 -6.405 1.00 10.00 O ATOM 0 H GLY A 65 2.768 -10.291 -2.970 1.00 10.00 H new ATOM 0 HA2 GLY A 65 2.847 -12.304 -4.383 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.133 -12.511 -4.081 1.00 10.00 H new ATOM 985 N TYR A 66 0.615 -9.965 -5.173 1.00 10.00 N ATOM 986 CA TYR A 66 0.328 -8.894 -6.122 1.00 10.00 C ATOM 987 C TYR A 66 1.493 -7.904 -6.167 1.00 10.00 C ATOM 988 O TYR A 66 2.413 -7.985 -5.356 1.00 10.00 O ATOM 989 CB TYR A 66 -0.991 -8.202 -5.761 1.00 10.00 C ATOM 990 CG TYR A 66 -1.214 -7.979 -4.281 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.403 -7.077 -3.571 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.187 -8.731 -3.597 1.00 10.00 C ATOM 993 CE1 TYR A 66 -0.629 -6.864 -2.206 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.435 -8.480 -2.239 1.00 10.00 C ATOM 995 CZ TYR A 66 -1.720 -7.477 -1.571 1.00 10.00 C ATOM 996 OH TYR A 66 -2.093 -7.090 -0.321 1.00 10.00 O ATOM 0 H TYR A 66 -0.007 -9.979 -4.365 1.00 10.00 H new ATOM 0 HA TYR A 66 0.214 -9.319 -7.119 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -1.028 -7.238 -6.268 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.815 -8.799 -6.151 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.392 -6.550 -4.077 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.741 -9.499 -4.116 1.00 10.00 H new ATOM 0 HE1 TYR A 66 0.036 -6.228 -1.641 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.176 -9.059 -1.709 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.071 -7.054 -0.268 1.00 10.00 H new ATOM 1006 N LYS A 67 1.447 -6.961 -7.107 1.00 10.00 N ATOM 1007 CA LYS A 67 2.516 -5.994 -7.328 1.00 10.00 C ATOM 1008 C LYS A 67 1.987 -4.574 -7.181 1.00 10.00 C ATOM 1009 O LYS A 67 0.780 -4.354 -7.186 1.00 10.00 O ATOM 1010 CB LYS A 67 3.161 -6.244 -8.699 1.00 10.00 C ATOM 1011 CG LYS A 67 4.536 -6.881 -8.516 1.00 10.00 C ATOM 1012 CD LYS A 67 5.053 -7.454 -9.837 1.00 10.00 C ATOM 1013 CE LYS A 67 6.535 -7.821 -9.682 1.00 10.00 C ATOM 1014 NZ LYS A 67 7.016 -8.646 -10.807 1.00 10.00 N ATOM 0 H LYS A 67 0.657 -6.848 -7.742 1.00 10.00 H new ATOM 0 HA LYS A 67 3.291 -6.119 -6.572 1.00 10.00 H new ATOM 0 HB2 LYS A 67 2.525 -6.897 -9.297 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.255 -5.304 -9.243 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.238 -6.138 -8.138 1.00 10.00 H new ATOM 0 HG3 LYS A 67 4.478 -7.673 -7.770 1.00 10.00 H new ATOM 0 HD2 LYS A 67 4.475 -8.335 -10.116 1.00 10.00 H new ATOM 0 HD3 LYS A 67 4.928 -6.724 -10.637 1.00 10.00 H new ATOM 0 HE2 LYS A 67 7.130 -6.910 -9.619 1.00 10.00 H new ATOM 0 HE3 LYS A 67 6.680 -8.362 -8.747 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 8.021 -8.873 -10.666 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 6.465 -9.527 -10.852 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 6.902 -8.120 -11.697 1.00 10.00 H new ATOM 1028 N LEU A 68 2.907 -3.620 -7.028 1.00 10.00 N ATOM 1029 CA LEU A 68 2.652 -2.223 -6.757 1.00 10.00 C ATOM 1030 C LEU A 68 3.627 -1.429 -7.620 1.00 10.00 C ATOM 1031 O LEU A 68 4.666 -1.963 -8.026 1.00 10.00 O ATOM 1032 CB LEU A 68 2.856 -1.967 -5.255 1.00 10.00 C ATOM 1033 CG LEU A 68 2.474 -0.560 -4.757 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.620 -0.622 -3.481 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.750 0.241 -4.455 1.00 10.00 C ATOM 0 H LEU A 68 3.904 -3.824 -7.096 1.00 10.00 H new ATOM 0 HA LEU A 68 1.632 -1.923 -6.998 1.00 10.00 H new ATOM 0 HB2 LEU A 68 2.272 -2.700 -4.698 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.904 -2.145 -5.014 1.00 10.00 H new ATOM 0 HG LEU A 68 1.891 -0.078 -5.542 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.371 0.390 -3.161 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.703 -1.175 -3.684 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.180 -1.125 -2.692 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.480 1.236 -4.103 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.328 -0.272 -3.686 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.349 0.327 -5.362 1.00 10.00 H new ATOM 1047 N LYS A 69 3.300 -0.164 -7.871 1.00 10.00 N ATOM 1048 CA LYS A 69 4.108 0.832 -8.555 1.00 10.00 C ATOM 1049 C LYS A 69 3.713 2.199 -8.004 1.00 10.00 C ATOM 1050 O LYS A 69 2.701 2.318 -7.325 1.00 10.00 O ATOM 1051 CB LYS A 69 3.859 0.791 -10.070 1.00 10.00 C ATOM 1052 CG LYS A 69 4.494 -0.440 -10.729 1.00 10.00 C ATOM 1053 CD LYS A 69 4.628 -0.316 -12.256 1.00 10.00 C ATOM 1054 CE LYS A 69 5.893 0.420 -12.740 1.00 10.00 C ATOM 1055 NZ LYS A 69 5.875 1.871 -12.466 1.00 10.00 N ATOM 0 H LYS A 69 2.399 0.215 -7.580 1.00 10.00 H new ATOM 0 HA LYS A 69 5.166 0.633 -8.387 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.786 0.790 -10.260 1.00 10.00 H new ATOM 0 HB3 LYS A 69 4.262 1.694 -10.527 1.00 10.00 H new ATOM 0 HG2 LYS A 69 5.481 -0.605 -10.298 1.00 10.00 H new ATOM 0 HG3 LYS A 69 3.893 -1.319 -10.495 1.00 10.00 H new ATOM 0 HD2 LYS A 69 4.619 -1.316 -12.689 1.00 10.00 H new ATOM 0 HD3 LYS A 69 3.752 0.206 -12.642 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.766 -0.021 -12.259 1.00 10.00 H new ATOM 0 HE3 LYS A 69 6.006 0.263 -13.813 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 6.451 2.366 -13.177 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 4.896 2.220 -12.510 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 6.265 2.050 -11.519 1.00 10.00 H new ATOM 1069 N LEU A 70 4.503 3.232 -8.298 1.00 10.00 N ATOM 1070 CA LEU A 70 4.203 4.604 -7.905 1.00 10.00 C ATOM 1071 C LEU A 70 3.083 5.182 -8.762 1.00 10.00 C ATOM 1072 O LEU A 70 2.938 4.824 -9.929 1.00 10.00 O ATOM 1073 CB LEU A 70 5.495 5.433 -7.943 1.00 10.00 C ATOM 1074 CG LEU A 70 5.379 6.967 -7.900 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.702 7.553 -7.393 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.115 7.592 -9.282 1.00 10.00 C ATOM 0 H LEU A 70 5.375 3.137 -8.819 1.00 10.00 H new ATOM 0 HA LEU A 70 3.830 4.630 -6.881 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.114 5.123 -7.101 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.035 5.166 -8.851 1.00 10.00 H new ATOM 0 HG LEU A 70 4.537 7.196 -7.247 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.629 8.640 -7.359 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.909 7.172 -6.393 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.509 7.264 -8.066 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.044 8.675 -9.184 1.00 10.00 H new ATOM 0 HD22 LEU A 70 5.934 7.342 -9.957 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.181 7.202 -9.685 1.00 10.00 H new ATOM 1088 N LYS A 71 2.321 6.098 -8.159 1.00 10.00 N ATOM 1089 CA LYS A 71 1.218 6.830 -8.778 1.00 10.00 C ATOM 1090 C LYS A 71 1.212 8.304 -8.342 1.00 10.00 C ATOM 1091 O LYS A 71 0.183 8.970 -8.390 1.00 10.00 O ATOM 1092 CB LYS A 71 -0.106 6.106 -8.466 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.869 5.673 -9.719 1.00 10.00 C ATOM 1094 CD LYS A 71 -1.621 6.855 -10.339 1.00 10.00 C ATOM 1095 CE LYS A 71 -2.169 6.504 -11.728 1.00 10.00 C ATOM 1096 NZ LYS A 71 -3.006 5.286 -11.710 1.00 10.00 N ATOM 0 H LYS A 71 2.464 6.360 -7.184 1.00 10.00 H new ATOM 0 HA LYS A 71 1.347 6.844 -9.860 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.103 5.228 -7.855 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.740 6.764 -7.872 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -0.173 5.258 -10.448 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.574 4.882 -9.465 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.443 7.148 -9.686 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -0.953 7.713 -10.416 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.757 7.340 -12.106 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -1.338 6.361 -12.418 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.663 5.304 -12.516 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.397 4.445 -11.779 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.547 5.250 -10.823 1.00 10.00 H new ATOM 1110 N GLY A 72 2.375 8.827 -7.952 1.00 10.00 N ATOM 1111 CA GLY A 72 2.535 10.176 -7.450 1.00 10.00 C ATOM 1112 C GLY A 72 1.860 10.294 -6.089 1.00 10.00 C ATOM 1113 O GLY A 72 2.182 9.545 -5.166 1.00 10.00 O ATOM 0 H GLY A 72 3.250 8.303 -7.981 1.00 10.00 H new ATOM 0 HA2 GLY A 72 3.594 10.421 -7.365 1.00 10.00 H new ATOM 0 HA3 GLY A 72 2.098 10.890 -8.148 1.00 10.00 H new ATOM 1117 N GLU A 73 0.924 11.231 -5.992 1.00 10.00 N ATOM 1118 CA GLU A 73 0.254 11.656 -4.781 1.00 10.00 C ATOM 1119 C GLU A 73 -1.109 12.250 -5.152 1.00 10.00 C ATOM 1120 O GLU A 73 -1.284 12.782 -6.246 1.00 10.00 O ATOM 1121 CB GLU A 73 1.137 12.676 -4.038 1.00 10.00 C ATOM 1122 CG GLU A 73 1.605 13.866 -4.898 1.00 10.00 C ATOM 1123 CD GLU A 73 2.705 13.498 -5.891 1.00 10.00 C ATOM 1124 OE1 GLU A 73 3.865 13.384 -5.442 1.00 10.00 O ATOM 1125 OE2 GLU A 73 2.360 13.294 -7.077 1.00 10.00 O ATOM 0 H GLU A 73 0.596 11.743 -6.811 1.00 10.00 H new ATOM 0 HA GLU A 73 0.090 10.810 -4.114 1.00 10.00 H new ATOM 0 HB2 GLU A 73 0.584 13.060 -3.181 1.00 10.00 H new ATOM 0 HB3 GLU A 73 2.014 12.160 -3.646 1.00 10.00 H new ATOM 0 HG2 GLU A 73 0.752 14.268 -5.444 1.00 10.00 H new ATOM 0 HG3 GLU A 73 1.967 14.659 -4.243 1.00 10.00 H new ATOM 1132 N GLN A 74 -2.076 12.169 -4.234 1.00 10.00 N ATOM 1133 CA GLN A 74 -3.406 12.719 -4.458 1.00 10.00 C ATOM 1134 C GLN A 74 -3.366 14.248 -4.384 1.00 10.00 C ATOM 1135 O GLN A 74 -3.947 14.928 -5.224 1.00 10.00 O ATOM 1136 CB GLN A 74 -4.379 12.152 -3.411 1.00 10.00 C ATOM 1137 CG GLN A 74 -5.837 12.536 -3.704 1.00 10.00 C ATOM 1138 CD GLN A 74 -6.764 12.128 -2.562 1.00 10.00 C ATOM 1139 OE1 GLN A 74 -7.050 10.953 -2.373 1.00 10.00 O ATOM 1140 NE2 GLN A 74 -7.246 13.090 -1.778 1.00 10.00 N ATOM 0 H GLN A 74 -1.956 11.724 -3.324 1.00 10.00 H new ATOM 0 HA GLN A 74 -3.751 12.435 -5.452 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -4.290 11.066 -3.385 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -4.100 12.518 -2.423 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -5.906 13.612 -3.863 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -6.162 12.056 -4.627 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -6.996 14.063 -1.952 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -7.866 12.854 -1.003 1.00 10.00 H new ATOM 1149 N ASP A 75 -2.772 14.762 -3.302 1.00 10.00 N ATOM 1150 CA ASP A 75 -2.884 16.130 -2.795 1.00 10.00 C ATOM 1151 C ASP A 75 -4.085 16.919 -3.340 1.00 10.00 C ATOM 1152 O ASP A 75 -3.957 17.970 -3.961 1.00 10.00 O ATOM 1153 CB ASP A 75 -1.553 16.881 -2.922 1.00 10.00 C ATOM 1154 CG ASP A 75 -1.549 18.139 -2.059 1.00 10.00 C ATOM 1155 OD1 ASP A 75 -2.184 18.087 -0.981 1.00 10.00 O ATOM 1156 OD2 ASP A 75 -0.885 19.114 -2.468 1.00 10.00 O ATOM 0 H ASP A 75 -2.159 14.193 -2.719 1.00 10.00 H new ATOM 0 HA ASP A 75 -3.105 16.038 -1.732 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -0.733 16.228 -2.623 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -1.382 17.150 -3.964 1.00 10.00 H new ATOM 1161 N SER A 76 -5.282 16.383 -3.083 1.00 10.00 N ATOM 1162 CA SER A 76 -6.561 17.018 -3.373 1.00 10.00 C ATOM 1163 C SER A 76 -6.825 17.291 -4.866 1.00 10.00 C ATOM 1164 O SER A 76 -7.601 18.204 -5.142 1.00 10.00 O ATOM 1165 CB SER A 76 -6.694 18.300 -2.531 1.00 10.00 C ATOM 1166 OG SER A 76 -8.030 18.762 -2.547 1.00 10.00 O ATOM 0 H SER A 76 -5.385 15.464 -2.653 1.00 10.00 H new ATOM 0 HA SER A 76 -7.334 16.302 -3.095 1.00 10.00 H new ATOM 0 HB2 SER A 76 -6.383 18.103 -1.505 1.00 10.00 H new ATOM 0 HB3 SER A 76 -6.031 19.071 -2.923 1.00 10.00 H new ATOM 0 HG SER A 76 -8.368 18.753 -3.467 1.00 10.00 H new ATOM 1172 N ILE A 77 -6.248 16.497 -5.785 1.00 10.00 N ATOM 1173 CA ILE A 77 -6.351 16.587 -7.254 1.00 10.00 C ATOM 1174 C ILE A 77 -7.272 17.711 -7.759 1.00 10.00 C ATOM 1175 O ILE A 77 -6.791 18.776 -8.139 1.00 10.00 O ATOM 1176 CB ILE A 77 -6.717 15.217 -7.888 1.00 10.00 C ATOM 1177 CG1 ILE A 77 -5.766 14.104 -7.414 1.00 10.00 C ATOM 1178 CG2 ILE A 77 -6.683 15.311 -9.424 1.00 10.00 C ATOM 1179 CD1 ILE A 77 -5.998 12.743 -8.077 1.00 10.00 C ATOM 0 H ILE A 77 -5.654 15.718 -5.501 1.00 10.00 H new ATOM 0 HA ILE A 77 -5.353 16.864 -7.593 1.00 10.00 H new ATOM 0 HB ILE A 77 -7.726 14.964 -7.563 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -4.739 14.416 -7.604 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -5.870 13.990 -6.335 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -6.942 14.343 -9.854 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -7.401 16.060 -9.759 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -5.683 15.596 -9.749 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -5.284 12.020 -7.683 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -7.012 12.403 -7.866 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -5.864 12.836 -9.155 1.00 10.00 H new ATOM 1191 N GLU A 78 -8.586 17.453 -7.787 1.00 10.00 N ATOM 1192 CA GLU A 78 -9.618 18.405 -8.176 1.00 10.00 C ATOM 1193 C GLU A 78 -10.970 17.840 -7.728 1.00 10.00 C ATOM 1194 O GLU A 78 -11.631 18.398 -6.855 1.00 10.00 O ATOM 1195 CB GLU A 78 -9.567 18.672 -9.693 1.00 10.00 C ATOM 1196 CG GLU A 78 -10.525 19.797 -10.108 1.00 10.00 C ATOM 1197 CD GLU A 78 -10.429 20.094 -11.600 1.00 10.00 C ATOM 1198 OE1 GLU A 78 -10.542 19.122 -12.377 1.00 10.00 O ATOM 1199 OE2 GLU A 78 -10.251 21.285 -11.934 1.00 10.00 O ATOM 0 H GLU A 78 -8.966 16.542 -7.529 1.00 10.00 H new ATOM 0 HA GLU A 78 -9.458 19.369 -7.693 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -8.550 18.937 -9.981 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -9.824 17.760 -10.231 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -11.548 19.516 -9.858 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -10.295 20.699 -9.541 1.00 10.00 H new ATOM 1206 N GLY A 79 -11.363 16.703 -8.307 1.00 10.00 N ATOM 1207 CA GLY A 79 -12.610 16.019 -8.017 1.00 10.00 C ATOM 1208 C GLY A 79 -12.828 14.947 -9.082 1.00 10.00 C ATOM 1209 O GLY A 79 -11.958 14.762 -9.933 1.00 10.00 O ATOM 0 H GLY A 79 -10.800 16.225 -9.010 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -12.574 15.567 -7.026 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -13.439 16.726 -8.015 1.00 10.00 H new ATOM 1213 N ARG A 80 -13.988 14.282 -9.039 1.00 10.00 N ATOM 1214 CA ARG A 80 -14.323 13.149 -9.894 1.00 10.00 C ATOM 1215 C ARG A 80 -13.320 12.013 -9.656 1.00 10.00 C ATOM 1216 O ARG A 80 -13.101 11.715 -8.462 1.00 10.00 O ATOM 1217 CB ARG A 80 -14.443 13.600 -11.360 1.00 10.00 C ATOM 1218 CG ARG A 80 -15.110 12.551 -12.261 1.00 10.00 C ATOM 1219 CD ARG A 80 -15.344 13.147 -13.656 1.00 10.00 C ATOM 1220 NE ARG A 80 -15.327 12.116 -14.706 1.00 10.00 N ATOM 1221 CZ ARG A 80 -14.205 11.588 -15.225 1.00 10.00 C ATOM 1222 NH1 ARG A 80 -13.019 11.887 -14.684 1.00 10.00 N ATOM 1223 NH2 ARG A 80 -14.278 10.770 -16.281 1.00 10.00 N ATOM 1224 OXT ARG A 80 -12.803 11.460 -10.653 1.00 10.00 O ATOM 0 H ARG A 80 -14.736 14.527 -8.390 1.00 10.00 H new ATOM 0 HA ARG A 80 -15.303 12.748 -9.637 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -15.018 14.525 -11.403 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -13.449 13.824 -11.747 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -14.479 11.665 -12.334 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -16.058 12.233 -11.826 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -16.303 13.665 -13.673 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -14.576 13.891 -13.866 1.00 10.00 H new ATOM 0 HE ARG A 80 -16.222 11.781 -15.062 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -12.968 12.513 -13.881 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -12.165 11.489 -15.075 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -15.185 10.547 -16.692 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -13.427 10.369 -16.675 1.00 10.00 H new TER 1238 ARG A 80 HETATM 1239 CU CU1 A 81 -7.390 -11.666 -1.978 1.00 10.00 CU