USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 602 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 63 ASN : amide:sc= 0 K(o=-0.0012,f=-0.67) USER MOD Set 1.2: A 64 GLN : amide:sc=-0.00122 X(o=-0.0012,f=0) USER MOD Single : A 1 SER N :NH3+ -114:sc= 0.0615 (180deg=0) USER MOD Single : A 1 SER OG : rot 130:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 99:sc= 0.388 USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= 0.573 (180deg=0.348) USER MOD Single : A 9 THR OG1 : rot 43:sc= 0.387 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.445 K(o=-0.44,f=-2.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.311) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 26 SER OG : rot -109:sc= 0.922 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -166:sc= -3.73! (180deg=-4.04!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0952 X(o=-0.095,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0.127 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -166:sc= 0.458 USER MOD Single : A 70 SER OG : rot -89:sc= -1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.643 16.360 8.662 1.00 0.00 N ATOM 2 CA SER A 1 -0.131 15.011 9.028 1.00 0.00 C ATOM 3 C SER A 1 0.709 14.412 7.901 1.00 0.00 C ATOM 4 O SER A 1 0.625 14.846 6.750 1.00 0.00 O ATOM 5 CB SER A 1 -1.297 14.074 9.358 1.00 0.00 C ATOM 6 OG SER A 1 -2.035 14.547 10.472 1.00 0.00 O ATOM 0 H1 SER A 1 -0.209 17.075 9.280 1.00 0.00 H new ATOM 0 H2 SER A 1 -0.402 16.566 7.671 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.676 16.383 8.779 1.00 0.00 H new ATOM 0 HA SER A 1 0.504 15.123 9.907 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.954 13.988 8.493 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.916 13.075 9.569 1.00 0.00 H new ATOM 0 HG SER A 1 -2.989 14.560 10.250 1.00 0.00 H new ATOM 14 N ASP A 2 1.517 13.409 8.243 1.00 0.00 N ATOM 15 CA ASP A 2 2.379 12.744 7.268 1.00 0.00 C ATOM 16 C ASP A 2 1.948 11.291 7.063 1.00 0.00 C ATOM 17 O ASP A 2 1.246 10.717 7.899 1.00 0.00 O ATOM 18 CB ASP A 2 3.837 12.801 7.733 1.00 0.00 C ATOM 19 CG ASP A 2 4.822 12.488 6.621 1.00 0.00 C ATOM 20 OD1 ASP A 2 5.148 13.409 5.843 1.00 0.00 O ATOM 21 OD2 ASP A 2 5.264 11.323 6.529 1.00 0.00 O ATOM 0 H ASP A 2 1.592 13.039 9.190 1.00 0.00 H new ATOM 0 HA ASP A 2 2.287 13.265 6.315 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.048 13.794 8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.981 12.093 8.550 1.00 0.00 H new ATOM 26 N VAL A 3 2.375 10.702 5.943 1.00 0.00 N ATOM 27 CA VAL A 3 2.041 9.314 5.624 1.00 0.00 C ATOM 28 C VAL A 3 2.614 8.350 6.666 1.00 0.00 C ATOM 29 O VAL A 3 2.011 7.319 6.964 1.00 0.00 O ATOM 30 CB VAL A 3 2.547 8.911 4.221 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.070 8.853 4.177 1.00 0.00 C ATOM 32 CG2 VAL A 3 1.944 7.578 3.797 1.00 0.00 C ATOM 0 H VAL A 3 2.953 11.166 5.242 1.00 0.00 H new ATOM 0 HA VAL A 3 0.953 9.246 5.635 1.00 0.00 H new ATOM 0 HB VAL A 3 2.224 9.677 3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.394 8.567 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.479 9.833 4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.427 8.118 4.898 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.312 7.311 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.230 6.806 4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.858 7.662 3.770 1.00 0.00 H new ATOM 42 N TRP A 4 3.781 8.695 7.219 1.00 0.00 N ATOM 43 CA TRP A 4 4.430 7.859 8.225 1.00 0.00 C ATOM 44 C TRP A 4 3.776 8.055 9.595 1.00 0.00 C ATOM 45 O TRP A 4 3.635 7.099 10.360 1.00 0.00 O ATOM 46 CB TRP A 4 5.925 8.184 8.303 1.00 0.00 C ATOM 47 CG TRP A 4 6.784 6.984 8.577 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.635 6.081 9.590 1.00 0.00 C ATOM 49 CD2 TRP A 4 7.929 6.561 7.826 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.613 5.119 9.512 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.420 5.393 8.439 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.586 7.055 6.696 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.537 4.713 7.959 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.693 6.379 6.220 1.00 0.00 C ATOM 55 CH2 TRP A 4 10.159 5.219 6.851 1.00 0.00 C ATOM 0 H TRP A 4 4.292 9.546 6.985 1.00 0.00 H new ATOM 0 HA TRP A 4 4.311 6.816 7.931 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.239 8.639 7.364 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.088 8.924 9.086 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.861 6.117 10.343 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.721 4.330 10.149 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.235 7.950 6.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 9.899 3.819 8.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 10.208 6.752 5.347 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.027 4.714 6.455 1.00 0.00 H new ATOM 66 N SER A 5 3.376 9.295 9.900 1.00 0.00 N ATOM 67 CA SER A 5 2.715 9.598 11.170 1.00 0.00 C ATOM 68 C SER A 5 1.380 8.858 11.256 1.00 0.00 C ATOM 69 O SER A 5 1.097 8.188 12.249 1.00 0.00 O ATOM 70 CB SER A 5 2.493 11.106 11.317 1.00 0.00 C ATOM 71 OG SER A 5 3.727 11.799 11.392 1.00 0.00 O ATOM 0 H SER A 5 3.499 10.100 9.286 1.00 0.00 H new ATOM 0 HA SER A 5 3.359 9.264 11.984 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.916 11.476 10.470 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.906 11.304 12.214 1.00 0.00 H new ATOM 0 HG SER A 5 3.558 12.760 11.484 1.00 0.00 H new ATOM 77 N LEU A 6 0.565 8.985 10.205 1.00 0.00 N ATOM 78 CA LEU A 6 -0.734 8.321 10.154 1.00 0.00 C ATOM 79 C LEU A 6 -0.633 7.033 9.342 1.00 0.00 C ATOM 80 O LEU A 6 -0.829 7.035 8.124 1.00 0.00 O ATOM 81 CB LEU A 6 -1.794 9.248 9.547 1.00 0.00 C ATOM 82 CG LEU A 6 -2.044 10.550 10.315 1.00 0.00 C ATOM 83 CD1 LEU A 6 -3.124 11.370 9.629 1.00 0.00 C ATOM 84 CD2 LEU A 6 -2.431 10.258 11.759 1.00 0.00 C ATOM 0 H LEU A 6 0.785 9.542 9.379 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.036 8.075 11.172 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.494 9.498 8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.734 8.701 9.477 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.120 11.128 10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.290 12.292 10.186 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.808 11.612 8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.050 10.796 9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.604 11.196 12.286 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.341 9.658 11.778 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.625 9.710 12.248 1.00 0.00 H new ATOM 96 N SER A 7 -0.313 5.936 10.026 1.00 0.00 N ATOM 97 CA SER A 7 -0.167 4.637 9.375 1.00 0.00 C ATOM 98 C SER A 7 -1.103 3.574 9.969 1.00 0.00 C ATOM 99 O SER A 7 -0.984 2.390 9.647 1.00 0.00 O ATOM 100 CB SER A 7 1.289 4.172 9.466 1.00 0.00 C ATOM 101 OG SER A 7 2.146 5.024 8.724 1.00 0.00 O ATOM 0 H SER A 7 -0.150 5.922 11.033 1.00 0.00 H new ATOM 0 HA SER A 7 -0.450 4.762 8.330 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.604 4.155 10.509 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.372 3.152 9.091 1.00 0.00 H new ATOM 0 HG SER A 7 2.581 5.659 9.331 1.00 0.00 H new ATOM 107 N LYS A 8 -2.036 3.995 10.827 1.00 0.00 N ATOM 108 CA LYS A 8 -2.982 3.071 11.451 1.00 0.00 C ATOM 109 C LYS A 8 -4.268 2.933 10.630 1.00 0.00 C ATOM 110 O LYS A 8 -4.876 1.862 10.603 1.00 0.00 O ATOM 111 CB LYS A 8 -3.319 3.540 12.870 1.00 0.00 C ATOM 112 CG LYS A 8 -2.123 3.555 13.808 1.00 0.00 C ATOM 113 CD LYS A 8 -1.606 2.151 14.079 1.00 0.00 C ATOM 114 CE LYS A 8 -0.374 2.175 14.969 1.00 0.00 C ATOM 115 NZ LYS A 8 0.086 0.804 15.322 1.00 0.00 N ATOM 0 H LYS A 8 -2.155 4.969 11.104 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.506 2.092 11.493 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.744 4.543 12.821 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.088 2.888 13.286 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.327 4.159 13.373 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.404 4.028 14.749 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.388 1.559 14.554 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.365 1.662 13.135 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.430 2.707 14.461 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.596 2.729 15.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.673 0.845 16.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.739 0.195 15.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.646 0.413 14.537 1.00 0.00 H new ATOM 129 N THR A 9 -4.678 4.019 9.966 1.00 0.00 N ATOM 130 CA THR A 9 -5.894 4.017 9.151 1.00 0.00 C ATOM 131 C THR A 9 -5.792 3.031 7.984 1.00 0.00 C ATOM 132 O THR A 9 -5.091 3.286 7.002 1.00 0.00 O ATOM 133 CB THR A 9 -6.208 5.423 8.596 1.00 0.00 C ATOM 134 OG1 THR A 9 -5.060 5.958 7.923 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.631 6.367 9.714 1.00 0.00 C ATOM 0 H THR A 9 -4.184 4.911 9.978 1.00 0.00 H new ATOM 0 HA THR A 9 -6.704 3.704 9.810 1.00 0.00 H new ATOM 0 HB THR A 9 -7.032 5.330 7.888 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.650 5.260 7.371 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.847 7.351 9.297 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.524 5.976 10.202 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.826 6.451 10.444 1.00 0.00 H new ATOM 143 N SER A 10 -6.499 1.905 8.103 1.00 0.00 N ATOM 144 CA SER A 10 -6.492 0.874 7.065 1.00 0.00 C ATOM 145 C SER A 10 -7.505 1.184 5.965 1.00 0.00 C ATOM 146 O SER A 10 -8.347 2.073 6.109 1.00 0.00 O ATOM 147 CB SER A 10 -6.798 -0.501 7.671 1.00 0.00 C ATOM 148 OG SER A 10 -8.037 -0.496 8.362 1.00 0.00 O ATOM 0 H SER A 10 -7.084 1.685 8.909 1.00 0.00 H new ATOM 0 HA SER A 10 -5.495 0.861 6.624 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.823 -1.252 6.881 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.999 -0.785 8.355 1.00 0.00 H new ATOM 0 HG SER A 10 -8.206 -1.386 8.736 1.00 0.00 H new ATOM 154 N MET A 11 -7.413 0.435 4.867 1.00 0.00 N ATOM 155 CA MET A 11 -8.320 0.603 3.735 1.00 0.00 C ATOM 156 C MET A 11 -8.896 -0.746 3.318 1.00 0.00 C ATOM 157 O MET A 11 -8.229 -1.778 3.437 1.00 0.00 O ATOM 158 CB MET A 11 -7.596 1.255 2.554 1.00 0.00 C ATOM 159 CG MET A 11 -8.520 1.653 1.415 1.00 0.00 C ATOM 160 SD MET A 11 -9.717 2.912 1.900 1.00 0.00 S ATOM 161 CE MET A 11 -10.658 3.084 0.386 1.00 0.00 C ATOM 0 H MET A 11 -6.715 -0.298 4.738 1.00 0.00 H new ATOM 0 HA MET A 11 -9.136 1.257 4.042 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.067 2.140 2.907 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.843 0.564 2.175 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.924 2.026 0.582 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.051 0.771 1.058 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.440 3.830 0.526 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.996 3.400 -0.420 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.112 2.127 0.129 1.00 0.00 H new ATOM 171 N THR A 12 -10.131 -0.735 2.822 1.00 0.00 N ATOM 172 CA THR A 12 -10.793 -1.965 2.405 1.00 0.00 C ATOM 173 C THR A 12 -10.604 -2.237 0.913 1.00 0.00 C ATOM 174 O THR A 12 -10.864 -1.377 0.070 1.00 0.00 O ATOM 175 CB THR A 12 -12.303 -1.928 2.725 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.503 -1.651 4.116 1.00 0.00 O ATOM 177 CG2 THR A 12 -12.969 -3.251 2.372 1.00 0.00 C ATOM 0 H THR A 12 -10.690 0.109 2.700 1.00 0.00 H new ATOM 0 HA THR A 12 -10.325 -2.771 2.970 1.00 0.00 H new ATOM 0 HB THR A 12 -12.755 -1.139 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.463 -1.628 4.310 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.032 -3.197 2.607 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.843 -3.449 1.308 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.510 -4.055 2.948 1.00 0.00 H new ATOM 185 N PHE A 13 -10.148 -3.449 0.606 1.00 0.00 N ATOM 186 CA PHE A 13 -9.929 -3.884 -0.769 1.00 0.00 C ATOM 187 C PHE A 13 -11.162 -4.613 -1.286 1.00 0.00 C ATOM 188 O PHE A 13 -11.797 -5.376 -0.556 1.00 0.00 O ATOM 189 CB PHE A 13 -8.710 -4.809 -0.847 1.00 0.00 C ATOM 190 CG PHE A 13 -7.394 -4.089 -0.790 1.00 0.00 C ATOM 191 CD1 PHE A 13 -6.809 -3.598 -1.946 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.739 -3.909 0.417 1.00 0.00 C ATOM 193 CE1 PHE A 13 -5.596 -2.941 -1.900 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.524 -3.254 0.468 1.00 0.00 C ATOM 195 CZ PHE A 13 -4.952 -2.769 -0.692 1.00 0.00 C ATOM 0 H PHE A 13 -9.920 -4.157 1.304 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.745 -3.006 -1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.757 -5.525 -0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.760 -5.382 -1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.308 -3.731 -2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.183 -4.284 1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.152 -2.562 -2.808 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.021 -3.121 1.415 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.002 -2.256 -0.653 1.00 0.00 H new ATOM 205 N GLN A 14 -11.496 -4.367 -2.550 1.00 0.00 N ATOM 206 CA GLN A 14 -12.650 -4.995 -3.178 1.00 0.00 C ATOM 207 C GLN A 14 -12.247 -5.617 -4.514 1.00 0.00 C ATOM 208 O GLN A 14 -12.016 -4.904 -5.493 1.00 0.00 O ATOM 209 CB GLN A 14 -13.767 -3.966 -3.378 1.00 0.00 C ATOM 210 CG GLN A 14 -15.085 -4.567 -3.843 1.00 0.00 C ATOM 211 CD GLN A 14 -15.684 -5.522 -2.826 1.00 0.00 C ATOM 212 OE1 GLN A 14 -15.426 -6.724 -2.859 1.00 0.00 O ATOM 213 NE2 GLN A 14 -16.489 -4.988 -1.911 1.00 0.00 N ATOM 0 H GLN A 14 -10.980 -3.734 -3.160 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.022 -5.786 -2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -13.932 -3.437 -2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -13.439 -3.226 -4.108 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.795 -3.765 -4.044 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.927 -5.096 -4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.677 -3.985 -1.919 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.919 -5.581 -1.201 1.00 0.00 H new ATOM 222 N PRO A 15 -12.148 -6.959 -4.567 1.00 0.00 N ATOM 223 CA PRO A 15 -11.762 -7.676 -5.788 1.00 0.00 C ATOM 224 C PRO A 15 -12.718 -7.415 -6.946 1.00 0.00 C ATOM 225 O PRO A 15 -13.929 -7.294 -6.750 1.00 0.00 O ATOM 226 CB PRO A 15 -11.813 -9.150 -5.382 1.00 0.00 C ATOM 227 CG PRO A 15 -11.754 -9.153 -3.894 1.00 0.00 C ATOM 228 CD PRO A 15 -12.411 -7.881 -3.449 1.00 0.00 C ATOM 0 HA PRO A 15 -10.784 -7.354 -6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.727 -9.625 -5.740 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.977 -9.704 -5.809 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -12.270 -10.022 -3.485 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.723 -9.202 -3.545 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -13.479 -8.017 -3.281 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -11.986 -7.513 -2.515 1.00 0.00 H new ATOM 236 N LYS A 16 -12.162 -7.337 -8.153 1.00 0.00 N ATOM 237 CA LYS A 16 -12.960 -7.096 -9.352 1.00 0.00 C ATOM 238 C LYS A 16 -13.844 -8.305 -9.662 1.00 0.00 C ATOM 239 O LYS A 16 -14.967 -8.156 -10.149 1.00 0.00 O ATOM 240 CB LYS A 16 -12.049 -6.782 -10.543 1.00 0.00 C ATOM 241 CG LYS A 16 -11.131 -5.594 -10.301 1.00 0.00 C ATOM 242 CD LYS A 16 -10.501 -5.092 -11.590 1.00 0.00 C ATOM 243 CE LYS A 16 -9.529 -3.952 -11.322 1.00 0.00 C ATOM 244 NZ LYS A 16 -8.988 -3.370 -12.581 1.00 0.00 N ATOM 0 H LYS A 16 -11.162 -7.437 -8.326 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.605 -6.236 -9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.444 -7.660 -10.770 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.665 -6.584 -11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.697 -4.787 -9.835 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.346 -5.879 -9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.978 -5.910 -12.085 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.282 -4.755 -12.272 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.033 -3.173 -10.750 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.705 -4.315 -10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.331 -2.597 -12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.484 -4.106 -13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.771 -2.999 -13.157 1.00 0.00 H new ATOM 258 N LYS A 17 -13.325 -9.503 -9.374 1.00 0.00 N ATOM 259 CA LYS A 17 -14.057 -10.745 -9.614 1.00 0.00 C ATOM 260 C LYS A 17 -14.642 -11.293 -8.313 1.00 0.00 C ATOM 261 O LYS A 17 -14.241 -10.887 -7.219 1.00 0.00 O ATOM 262 CB LYS A 17 -13.142 -11.799 -10.250 1.00 0.00 C ATOM 263 CG LYS A 17 -12.631 -11.427 -11.635 1.00 0.00 C ATOM 264 CD LYS A 17 -11.552 -10.356 -11.575 1.00 0.00 C ATOM 265 CE LYS A 17 -10.960 -10.082 -12.949 1.00 0.00 C ATOM 266 NZ LYS A 17 -9.904 -9.033 -12.904 1.00 0.00 N ATOM 0 H LYS A 17 -12.397 -9.636 -8.973 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.873 -10.521 -10.301 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.289 -11.967 -9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.684 -12.742 -10.316 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.233 -12.315 -12.126 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.462 -11.071 -12.245 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.973 -9.436 -11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.762 -10.672 -10.894 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.539 -11.003 -13.352 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.752 -9.769 -13.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.104 -8.308 -13.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.892 -8.592 -11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.977 -9.465 -13.096 1.00 0.00 H new ATOM 280 N ALA A 18 -15.588 -12.221 -8.442 1.00 0.00 N ATOM 281 CA ALA A 18 -16.233 -12.834 -7.283 1.00 0.00 C ATOM 282 C ALA A 18 -15.324 -13.871 -6.622 1.00 0.00 C ATOM 283 O ALA A 18 -15.317 -14.003 -5.397 1.00 0.00 O ATOM 284 CB ALA A 18 -17.552 -13.471 -7.692 1.00 0.00 C ATOM 0 H ALA A 18 -15.926 -12.566 -9.341 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.428 -12.049 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.023 -13.924 -6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -18.212 -12.708 -8.105 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -17.368 -14.238 -8.445 1.00 0.00 H new ATOM 290 N SER A 19 -14.564 -14.606 -7.439 1.00 0.00 N ATOM 291 CA SER A 19 -13.647 -15.631 -6.935 1.00 0.00 C ATOM 292 C SER A 19 -12.662 -15.047 -5.920 1.00 0.00 C ATOM 293 O SER A 19 -12.364 -15.676 -4.904 1.00 0.00 O ATOM 294 CB SER A 19 -12.881 -16.281 -8.093 1.00 0.00 C ATOM 295 OG SER A 19 -12.172 -15.312 -8.847 1.00 0.00 O ATOM 0 H SER A 19 -14.566 -14.509 -8.454 1.00 0.00 H new ATOM 0 HA SER A 19 -14.245 -16.391 -6.431 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.184 -17.022 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.578 -16.811 -8.742 1.00 0.00 H new ATOM 0 HG SER A 19 -11.691 -15.754 -9.578 1.00 0.00 H new ATOM 301 N LEU A 20 -12.164 -13.840 -6.203 1.00 0.00 N ATOM 302 CA LEU A 20 -11.218 -13.167 -5.318 1.00 0.00 C ATOM 303 C LEU A 20 -11.889 -12.758 -4.004 1.00 0.00 C ATOM 304 O LEU A 20 -13.116 -12.677 -3.921 1.00 0.00 O ATOM 305 CB LEU A 20 -10.636 -11.935 -6.013 1.00 0.00 C ATOM 306 CG LEU A 20 -9.779 -12.218 -7.248 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.479 -10.926 -7.993 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.486 -12.919 -6.854 1.00 0.00 C ATOM 0 H LEU A 20 -12.403 -13.310 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.413 -13.865 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.458 -11.282 -6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.032 -11.384 -5.292 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.338 -12.878 -7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.868 -11.145 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.414 -10.463 -8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.940 -10.244 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.890 -13.112 -7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.922 -12.284 -6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.719 -13.864 -6.363 1.00 0.00 H new ATOM 320 N GLN A 21 -11.073 -12.495 -2.984 1.00 0.00 N ATOM 321 CA GLN A 21 -11.575 -12.104 -1.667 1.00 0.00 C ATOM 322 C GLN A 21 -11.049 -10.722 -1.273 1.00 0.00 C ATOM 323 O GLN A 21 -9.900 -10.387 -1.565 1.00 0.00 O ATOM 324 CB GLN A 21 -11.160 -13.138 -0.616 1.00 0.00 C ATOM 325 CG GLN A 21 -11.674 -14.540 -0.903 1.00 0.00 C ATOM 326 CD GLN A 21 -11.066 -15.583 0.017 1.00 0.00 C ATOM 327 OE1 GLN A 21 -11.607 -15.878 1.082 1.00 0.00 O ATOM 328 NE2 GLN A 21 -9.932 -16.145 -0.390 1.00 0.00 N ATOM 0 H GLN A 21 -10.056 -12.546 -3.045 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.663 -12.059 -1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.072 -13.165 -0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.526 -12.819 0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -12.759 -14.554 -0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.452 -14.800 -1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.518 -15.870 -1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.476 -16.851 0.188 1.00 0.00 H new ATOM 337 N PRO A 22 -11.882 -9.905 -0.597 1.00 0.00 N ATOM 338 CA PRO A 22 -11.492 -8.553 -0.168 1.00 0.00 C ATOM 339 C PRO A 22 -10.379 -8.559 0.882 1.00 0.00 C ATOM 340 O PRO A 22 -9.981 -9.616 1.378 1.00 0.00 O ATOM 341 CB PRO A 22 -12.784 -7.970 0.414 1.00 0.00 C ATOM 342 CG PRO A 22 -13.610 -9.151 0.785 1.00 0.00 C ATOM 343 CD PRO A 22 -13.263 -10.232 -0.200 1.00 0.00 C ATOM 0 HA PRO A 22 -11.085 -7.973 -0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.578 -7.345 1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.297 -7.343 -0.315 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -13.396 -9.471 1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.673 -8.912 0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.327 -11.222 0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.938 -10.227 -1.056 1.00 0.00 H new ATOM 351 N LEU A 23 -9.882 -7.366 1.214 1.00 0.00 N ATOM 352 CA LEU A 23 -8.804 -7.218 2.192 1.00 0.00 C ATOM 353 C LEU A 23 -8.993 -5.952 3.027 1.00 0.00 C ATOM 354 O LEU A 23 -9.743 -5.055 2.645 1.00 0.00 O ATOM 355 CB LEU A 23 -7.456 -7.168 1.466 1.00 0.00 C ATOM 356 CG LEU A 23 -6.235 -7.502 2.321 1.00 0.00 C ATOM 357 CD1 LEU A 23 -6.256 -8.967 2.730 1.00 0.00 C ATOM 358 CD2 LEU A 23 -4.954 -7.174 1.569 1.00 0.00 C ATOM 0 H LEU A 23 -10.211 -6.485 0.818 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.826 -8.075 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.490 -7.861 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.324 -6.169 1.050 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.268 -6.893 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.379 -9.187 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.158 -9.171 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.246 -9.594 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.094 -7.418 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.913 -7.757 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.937 -6.112 1.326 1.00 0.00 H new ATOM 370 N THR A 24 -8.316 -5.885 4.175 1.00 0.00 N ATOM 371 CA THR A 24 -8.406 -4.719 5.051 1.00 0.00 C ATOM 372 C THR A 24 -7.132 -4.550 5.878 1.00 0.00 C ATOM 373 O THR A 24 -7.049 -5.023 7.015 1.00 0.00 O ATOM 374 CB THR A 24 -9.626 -4.803 5.997 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.818 -5.084 5.250 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.806 -3.501 6.766 1.00 0.00 C ATOM 0 H THR A 24 -7.701 -6.623 4.518 1.00 0.00 H new ATOM 0 HA THR A 24 -8.530 -3.851 4.403 1.00 0.00 H new ATOM 0 HB THR A 24 -9.445 -5.610 6.707 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.582 -5.136 5.861 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.670 -3.584 7.425 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.914 -3.303 7.361 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.963 -2.682 6.064 1.00 0.00 H new ATOM 384 N ILE A 25 -6.134 -3.887 5.294 1.00 0.00 N ATOM 385 CA ILE A 25 -4.860 -3.663 5.973 1.00 0.00 C ATOM 386 C ILE A 25 -4.390 -2.214 5.815 1.00 0.00 C ATOM 387 O ILE A 25 -4.766 -1.528 4.862 1.00 0.00 O ATOM 388 CB ILE A 25 -3.771 -4.629 5.444 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.607 -4.728 6.438 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.272 -4.187 4.074 1.00 0.00 C ATOM 391 CD1 ILE A 25 -2.973 -5.429 7.729 1.00 0.00 C ATOM 0 H ILE A 25 -6.184 -3.496 4.353 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.021 -3.860 7.033 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.217 -5.618 5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.781 -5.260 5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.249 -3.724 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.508 -4.881 3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.104 -4.177 3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.847 -3.186 4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.102 -5.463 8.384 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.778 -4.885 8.223 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.302 -6.445 7.511 1.00 0.00 H new ATOM 403 N SER A 26 -3.563 -1.759 6.759 1.00 0.00 N ATOM 404 CA SER A 26 -3.043 -0.394 6.742 1.00 0.00 C ATOM 405 C SER A 26 -1.520 -0.367 6.564 1.00 0.00 C ATOM 406 O SER A 26 -0.870 -1.409 6.473 1.00 0.00 O ATOM 407 CB SER A 26 -3.420 0.315 8.045 1.00 0.00 C ATOM 408 OG SER A 26 -3.106 1.694 7.991 1.00 0.00 O ATOM 0 H SER A 26 -3.239 -2.320 7.547 1.00 0.00 H new ATOM 0 HA SER A 26 -3.488 0.122 5.892 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.486 0.190 8.234 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.892 -0.148 8.879 1.00 0.00 H new ATOM 0 HG SER A 26 -2.345 1.880 8.580 1.00 0.00 H new ATOM 414 N LEU A 27 -0.971 0.850 6.514 1.00 0.00 N ATOM 415 CA LEU A 27 0.469 1.073 6.365 1.00 0.00 C ATOM 416 C LEU A 27 1.266 0.373 7.468 1.00 0.00 C ATOM 417 O LEU A 27 2.036 -0.548 7.199 1.00 0.00 O ATOM 418 CB LEU A 27 0.769 2.578 6.403 1.00 0.00 C ATOM 419 CG LEU A 27 -0.010 3.430 5.394 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.458 4.876 5.448 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.135 2.870 3.985 1.00 0.00 C ATOM 0 H LEU A 27 -1.515 1.711 6.576 1.00 0.00 H new ATOM 0 HA LEU A 27 0.771 0.653 5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.557 2.948 7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.835 2.723 6.229 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.066 3.398 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.105 5.468 4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.295 5.274 6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.520 4.924 5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.426 3.491 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.188 2.866 3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.252 1.852 3.957 1.00 0.00 H new ATOM 433 N ASP A 28 1.059 0.808 8.712 1.00 0.00 N ATOM 434 CA ASP A 28 1.770 0.247 9.861 1.00 0.00 C ATOM 435 C ASP A 28 1.469 -1.241 10.030 1.00 0.00 C ATOM 436 O ASP A 28 2.342 -2.018 10.419 1.00 0.00 O ATOM 437 CB ASP A 28 1.385 1.001 11.139 1.00 0.00 C ATOM 438 CG ASP A 28 2.188 0.549 12.345 1.00 0.00 C ATOM 439 OD1 ASP A 28 3.284 1.104 12.571 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.722 -0.360 13.064 1.00 0.00 O ATOM 0 H ASP A 28 0.401 1.551 8.950 1.00 0.00 H new ATOM 0 HA ASP A 28 2.839 0.360 9.679 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.536 2.070 10.986 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.323 0.854 11.338 1.00 0.00 H new ATOM 445 N GLU A 29 0.230 -1.628 9.730 1.00 0.00 N ATOM 446 CA GLU A 29 -0.199 -3.016 9.859 1.00 0.00 C ATOM 447 C GLU A 29 0.345 -3.905 8.735 1.00 0.00 C ATOM 448 O GLU A 29 0.282 -5.131 8.841 1.00 0.00 O ATOM 449 CB GLU A 29 -1.728 -3.091 9.875 1.00 0.00 C ATOM 450 CG GLU A 29 -2.358 -2.702 11.206 1.00 0.00 C ATOM 451 CD GLU A 29 -2.078 -1.262 11.603 1.00 0.00 C ATOM 452 OE1 GLU A 29 -2.823 -0.366 11.157 1.00 0.00 O ATOM 453 OE2 GLU A 29 -1.113 -1.033 12.364 1.00 0.00 O ATOM 0 H GLU A 29 -0.496 -0.995 9.395 1.00 0.00 H new ATOM 0 HA GLU A 29 0.206 -3.390 10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.121 -2.438 9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.033 -4.107 9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.436 -2.853 11.148 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.984 -3.366 11.985 1.00 0.00 H new ATOM 460 N LEU A 30 0.879 -3.303 7.664 1.00 0.00 N ATOM 461 CA LEU A 30 1.399 -4.091 6.546 1.00 0.00 C ATOM 462 C LEU A 30 2.898 -3.866 6.290 1.00 0.00 C ATOM 463 O LEU A 30 3.433 -4.347 5.291 1.00 0.00 O ATOM 464 CB LEU A 30 0.595 -3.793 5.276 1.00 0.00 C ATOM 465 CG LEU A 30 0.857 -4.732 4.093 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.494 -6.165 4.451 1.00 0.00 C ATOM 467 CD2 LEU A 30 0.078 -4.274 2.869 1.00 0.00 C ATOM 0 H LEU A 30 0.960 -2.293 7.551 1.00 0.00 H new ATOM 0 HA LEU A 30 1.286 -5.139 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.466 -3.833 5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.811 -2.772 4.962 1.00 0.00 H new ATOM 0 HG LEU A 30 1.921 -4.699 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.688 -6.814 3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.096 -6.492 5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.562 -6.218 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.275 -4.951 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.988 -4.277 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.389 -3.265 2.596 1.00 0.00 H new ATOM 479 N PHE A 31 3.584 -3.162 7.200 1.00 0.00 N ATOM 480 CA PHE A 31 5.022 -2.929 7.026 1.00 0.00 C ATOM 481 C PHE A 31 5.779 -3.157 8.333 1.00 0.00 C ATOM 482 O PHE A 31 5.294 -2.807 9.411 1.00 0.00 O ATOM 483 CB PHE A 31 5.311 -1.524 6.478 1.00 0.00 C ATOM 484 CG PHE A 31 4.580 -1.189 5.203 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.653 -2.024 4.099 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.820 -0.034 5.113 1.00 0.00 C ATOM 487 CE1 PHE A 31 3.979 -1.714 2.934 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.145 0.280 3.950 1.00 0.00 C ATOM 489 CZ PHE A 31 3.224 -0.561 2.859 1.00 0.00 C ATOM 0 H PHE A 31 3.179 -2.754 8.043 1.00 0.00 H new ATOM 0 HA PHE A 31 5.375 -3.652 6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.045 -0.789 7.238 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.383 -1.429 6.303 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.243 -2.927 4.150 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.755 0.629 5.963 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.043 -2.374 2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.556 1.183 3.894 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.696 -0.318 1.949 1.00 0.00 H new ATOM 499 N SER A 32 6.971 -3.746 8.231 1.00 0.00 N ATOM 500 CA SER A 32 7.800 -4.021 9.404 1.00 0.00 C ATOM 501 C SER A 32 9.251 -3.591 9.161 1.00 0.00 C ATOM 502 O SER A 32 10.187 -4.243 9.632 1.00 0.00 O ATOM 503 CB SER A 32 7.758 -5.521 9.716 1.00 0.00 C ATOM 504 OG SER A 32 6.436 -5.949 9.992 1.00 0.00 O ATOM 0 H SER A 32 7.384 -4.042 7.347 1.00 0.00 H new ATOM 0 HA SER A 32 7.407 -3.453 10.247 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.156 -6.082 8.871 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.399 -5.736 10.571 1.00 0.00 H new ATOM 0 HG SER A 32 6.437 -6.910 10.186 1.00 0.00 H new ATOM 510 N SER A 33 9.433 -2.483 8.440 1.00 0.00 N ATOM 511 CA SER A 33 10.769 -1.973 8.139 1.00 0.00 C ATOM 512 C SER A 33 10.706 -0.550 7.585 1.00 0.00 C ATOM 513 O SER A 33 9.892 -0.260 6.704 1.00 0.00 O ATOM 514 CB SER A 33 11.477 -2.894 7.139 1.00 0.00 C ATOM 515 OG SER A 33 12.733 -2.364 6.749 1.00 0.00 O ATOM 0 H SER A 33 8.672 -1.923 8.055 1.00 0.00 H new ATOM 0 HA SER A 33 11.337 -1.951 9.069 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.618 -3.878 7.585 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.848 -3.030 6.259 1.00 0.00 H new ATOM 0 HG SER A 33 13.162 -2.973 6.113 1.00 0.00 H new ATOM 521 N ARG A 34 11.564 0.335 8.099 1.00 0.00 N ATOM 522 CA ARG A 34 11.598 1.719 7.628 1.00 0.00 C ATOM 523 C ARG A 34 12.028 1.775 6.161 1.00 0.00 C ATOM 524 O ARG A 34 11.490 2.562 5.380 1.00 0.00 O ATOM 525 CB ARG A 34 12.528 2.578 8.499 1.00 0.00 C ATOM 526 CG ARG A 34 13.998 2.191 8.419 1.00 0.00 C ATOM 527 CD ARG A 34 14.851 3.079 9.314 1.00 0.00 C ATOM 528 NE ARG A 34 16.282 2.812 9.161 1.00 0.00 N ATOM 529 CZ ARG A 34 17.244 3.539 9.738 1.00 0.00 C ATOM 530 NH1 ARG A 34 16.934 4.578 10.511 1.00 0.00 N ATOM 531 NH2 ARG A 34 18.519 3.225 9.542 1.00 0.00 N ATOM 0 H ARG A 34 12.238 0.120 8.834 1.00 0.00 H new ATOM 0 HA ARG A 34 10.591 2.128 7.710 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.423 3.622 8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.202 2.507 9.537 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.119 1.149 8.715 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.342 2.272 7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.652 4.125 9.080 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.564 2.925 10.354 1.00 0.00 H new ATOM 0 HE ARG A 34 16.562 2.023 8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.956 4.824 10.667 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.674 5.128 10.948 1.00 0.00 H new ATOM 0 HH21 ARG A 34 18.763 2.430 8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 34 19.254 3.779 9.982 1.00 0.00 H new ATOM 545 N GLY A 35 12.999 0.930 5.792 1.00 0.00 N ATOM 546 CA GLY A 35 13.466 0.881 4.416 1.00 0.00 C ATOM 547 C GLY A 35 12.410 0.317 3.484 1.00 0.00 C ATOM 548 O GLY A 35 12.269 0.778 2.349 1.00 0.00 O ATOM 0 H GLY A 35 13.467 0.281 6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.741 1.884 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.366 0.269 4.359 1.00 0.00 H new ATOM 552 N GLU A 36 11.671 -0.690 3.964 1.00 0.00 N ATOM 553 CA GLU A 36 10.599 -1.299 3.181 1.00 0.00 C ATOM 554 C GLU A 36 9.587 -0.233 2.769 1.00 0.00 C ATOM 555 O GLU A 36 9.109 -0.225 1.634 1.00 0.00 O ATOM 556 CB GLU A 36 9.904 -2.402 3.990 1.00 0.00 C ATOM 557 CG GLU A 36 8.689 -3.005 3.299 1.00 0.00 C ATOM 558 CD GLU A 36 9.042 -3.777 2.041 1.00 0.00 C ATOM 559 OE1 GLU A 36 9.126 -3.152 0.962 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.232 -5.008 2.134 1.00 0.00 O ATOM 0 H GLU A 36 11.798 -1.097 4.890 1.00 0.00 H new ATOM 0 HA GLU A 36 11.030 -1.746 2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.623 -3.195 4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.596 -1.993 4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.176 -3.670 3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.990 -2.208 3.045 1.00 0.00 H new ATOM 567 N PHE A 37 9.272 0.667 3.706 1.00 0.00 N ATOM 568 CA PHE A 37 8.337 1.758 3.450 1.00 0.00 C ATOM 569 C PHE A 37 8.838 2.622 2.291 1.00 0.00 C ATOM 570 O PHE A 37 8.057 3.047 1.439 1.00 0.00 O ATOM 571 CB PHE A 37 8.155 2.609 4.711 1.00 0.00 C ATOM 572 CG PHE A 37 6.995 3.564 4.638 1.00 0.00 C ATOM 573 CD1 PHE A 37 5.693 3.103 4.752 1.00 0.00 C ATOM 574 CD2 PHE A 37 7.209 4.920 4.458 1.00 0.00 C ATOM 575 CE1 PHE A 37 4.626 3.979 4.688 1.00 0.00 C ATOM 576 CE2 PHE A 37 6.147 5.800 4.395 1.00 0.00 C ATOM 577 CZ PHE A 37 4.853 5.329 4.509 1.00 0.00 C ATOM 0 H PHE A 37 9.655 0.658 4.651 1.00 0.00 H new ATOM 0 HA PHE A 37 7.371 1.334 3.176 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.016 1.948 5.567 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.069 3.175 4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.510 2.048 4.892 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.218 5.294 4.366 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.616 3.608 4.778 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.328 6.856 4.257 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.021 6.016 4.458 1.00 0.00 H new ATOM 587 N ILE A 38 10.146 2.895 2.278 1.00 0.00 N ATOM 588 CA ILE A 38 10.760 3.683 1.212 1.00 0.00 C ATOM 589 C ILE A 38 10.496 3.062 -0.160 1.00 0.00 C ATOM 590 O ILE A 38 10.027 3.748 -1.071 1.00 0.00 O ATOM 591 CB ILE A 38 12.286 3.828 1.422 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.582 4.508 2.765 1.00 0.00 C ATOM 593 CG2 ILE A 38 12.915 4.615 0.277 1.00 0.00 C ATOM 594 CD1 ILE A 38 11.869 5.832 2.950 1.00 0.00 C ATOM 0 H ILE A 38 10.799 2.580 2.996 1.00 0.00 H new ATOM 0 HA ILE A 38 10.303 4.672 1.249 1.00 0.00 H new ATOM 0 HB ILE A 38 12.725 2.830 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.295 3.835 3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.657 4.669 2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.988 4.706 0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.737 4.094 -0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.470 5.609 0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.128 6.252 3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.174 6.523 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.792 5.675 2.897 1.00 0.00 H new ATOM 606 N SER A 39 10.797 1.763 -0.309 1.00 0.00 N ATOM 607 CA SER A 39 10.586 1.079 -1.587 1.00 0.00 C ATOM 608 C SER A 39 9.112 1.137 -1.980 1.00 0.00 C ATOM 609 O SER A 39 8.765 1.766 -2.981 1.00 0.00 O ATOM 610 CB SER A 39 11.071 -0.373 -1.521 1.00 0.00 C ATOM 611 OG SER A 39 12.459 -0.438 -1.244 1.00 0.00 O ATOM 0 H SER A 39 11.182 1.175 0.430 1.00 0.00 H new ATOM 0 HA SER A 39 11.171 1.592 -2.350 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.518 -0.909 -0.750 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.863 -0.872 -2.467 1.00 0.00 H new ATOM 0 HG SER A 39 12.741 -1.376 -1.206 1.00 0.00 H new ATOM 617 N VAL A 40 8.257 0.457 -1.204 1.00 0.00 N ATOM 618 CA VAL A 40 6.814 0.398 -1.474 1.00 0.00 C ATOM 619 C VAL A 40 6.239 1.677 -2.084 1.00 0.00 C ATOM 620 O VAL A 40 5.378 1.599 -2.964 1.00 0.00 O ATOM 621 CB VAL A 40 5.999 0.021 -0.213 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.330 -1.395 0.235 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.241 1.011 0.913 1.00 0.00 C ATOM 0 H VAL A 40 8.544 -0.065 -0.376 1.00 0.00 H new ATOM 0 HA VAL A 40 6.715 -0.390 -2.220 1.00 0.00 H new ATOM 0 HB VAL A 40 4.941 0.062 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.747 -1.641 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.088 -2.095 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.393 -1.464 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.655 0.720 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.300 1.016 1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.942 2.008 0.591 1.00 0.00 H new ATOM 633 N GLY A 41 6.696 2.851 -1.634 1.00 0.00 N ATOM 634 CA GLY A 41 6.187 4.100 -2.178 1.00 0.00 C ATOM 635 C GLY A 41 5.799 5.087 -1.087 1.00 0.00 C ATOM 636 O GLY A 41 4.784 5.776 -1.204 1.00 0.00 O ATOM 0 H GLY A 41 7.404 2.955 -0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.944 4.550 -2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.319 3.894 -2.805 1.00 0.00 H new ATOM 640 N GLY A 42 6.618 5.167 -0.032 1.00 0.00 N ATOM 641 CA GLY A 42 6.324 6.061 1.074 1.00 0.00 C ATOM 642 C GLY A 42 7.375 7.136 1.273 1.00 0.00 C ATOM 643 O GLY A 42 8.410 6.893 1.898 1.00 0.00 O ATOM 0 H GLY A 42 7.477 4.627 0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.358 6.535 0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.234 5.477 1.990 1.00 0.00 H new ATOM 647 N ASP A 43 7.104 8.323 0.737 1.00 0.00 N ATOM 648 CA ASP A 43 7.995 9.468 0.912 1.00 0.00 C ATOM 649 C ASP A 43 7.544 10.244 2.152 1.00 0.00 C ATOM 650 O ASP A 43 8.120 10.081 3.229 1.00 0.00 O ATOM 651 CB ASP A 43 7.978 10.362 -0.333 1.00 0.00 C ATOM 652 CG ASP A 43 8.562 9.672 -1.552 1.00 0.00 C ATOM 653 OD1 ASP A 43 7.794 9.016 -2.287 1.00 0.00 O ATOM 654 OD2 ASP A 43 9.785 9.788 -1.770 1.00 0.00 O ATOM 0 H ASP A 43 6.274 8.518 0.177 1.00 0.00 H new ATOM 0 HA ASP A 43 9.020 9.125 1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.952 10.663 -0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.542 11.273 -0.130 1.00 0.00 H new ATOM 659 N GLY A 44 6.515 11.084 2.004 1.00 0.00 N ATOM 660 CA GLY A 44 6.025 11.864 3.130 1.00 0.00 C ATOM 661 C GLY A 44 4.565 12.241 2.988 1.00 0.00 C ATOM 662 O GLY A 44 3.711 11.705 3.693 1.00 0.00 O ATOM 0 H GLY A 44 6.016 11.236 1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.161 11.293 4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.623 12.771 3.226 1.00 0.00 H new ATOM 666 N ARG A 45 4.276 13.171 2.083 1.00 0.00 N ATOM 667 CA ARG A 45 2.905 13.615 1.856 1.00 0.00 C ATOM 668 C ARG A 45 2.242 12.759 0.783 1.00 0.00 C ATOM 669 O ARG A 45 2.316 13.065 -0.409 1.00 0.00 O ATOM 670 CB ARG A 45 2.871 15.094 1.457 1.00 0.00 C ATOM 671 CG ARG A 45 3.253 16.044 2.586 1.00 0.00 C ATOM 672 CD ARG A 45 4.744 16.000 2.889 1.00 0.00 C ATOM 673 NE ARG A 45 5.557 16.364 1.727 1.00 0.00 N ATOM 674 CZ ARG A 45 6.831 15.997 1.558 1.00 0.00 C ATOM 675 NH1 ARG A 45 7.444 15.243 2.466 1.00 0.00 N ATOM 676 NH2 ARG A 45 7.492 16.385 0.473 1.00 0.00 N ATOM 0 H ARG A 45 4.972 13.631 1.496 1.00 0.00 H new ATOM 0 HA ARG A 45 2.349 13.501 2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.549 15.250 0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.869 15.344 1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.968 17.061 2.316 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.693 15.784 3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.966 16.679 3.712 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.016 14.998 3.221 1.00 0.00 H new ATOM 0 HE ARG A 45 5.124 16.934 1.000 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.942 14.940 3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.417 14.968 2.328 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.027 16.961 -0.228 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.464 16.106 0.341 1.00 0.00 H new ATOM 690 N MET A 46 1.603 11.673 1.219 1.00 0.00 N ATOM 691 CA MET A 46 0.927 10.760 0.302 1.00 0.00 C ATOM 692 C MET A 46 -0.358 11.379 -0.245 1.00 0.00 C ATOM 693 O MET A 46 -0.804 12.427 0.228 1.00 0.00 O ATOM 694 CB MET A 46 0.619 9.434 0.999 1.00 0.00 C ATOM 695 CG MET A 46 0.736 8.228 0.081 1.00 0.00 C ATOM 696 SD MET A 46 2.177 7.209 0.452 1.00 0.00 S ATOM 697 CE MET A 46 3.479 8.441 0.451 1.00 0.00 C ATOM 0 H MET A 46 1.540 11.406 2.201 1.00 0.00 H new ATOM 0 HA MET A 46 1.597 10.571 -0.537 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.300 9.308 1.841 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.390 9.473 1.408 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.165 7.621 0.168 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.793 8.568 -0.953 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.449 7.945 0.417 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.370 9.085 -0.421 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.411 9.043 1.357 1.00 0.00 H new ATOM 707 N SER A 47 -0.948 10.723 -1.242 1.00 0.00 N ATOM 708 CA SER A 47 -2.173 11.214 -1.862 1.00 0.00 C ATOM 709 C SER A 47 -3.421 10.678 -1.161 1.00 0.00 C ATOM 710 O SER A 47 -4.104 11.412 -0.444 1.00 0.00 O ATOM 711 CB SER A 47 -2.206 10.828 -3.346 1.00 0.00 C ATOM 712 OG SER A 47 -3.311 11.421 -4.006 1.00 0.00 O ATOM 0 H SER A 47 -0.596 9.851 -1.636 1.00 0.00 H new ATOM 0 HA SER A 47 -2.175 12.300 -1.765 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.280 11.143 -3.827 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.262 9.744 -3.441 1.00 0.00 H new ATOM 0 HG SER A 47 -3.307 11.160 -4.951 1.00 0.00 H new ATOM 718 N HIS A 48 -3.699 9.392 -1.373 1.00 0.00 N ATOM 719 CA HIS A 48 -4.883 8.732 -0.828 1.00 0.00 C ATOM 720 C HIS A 48 -4.931 7.283 -1.307 1.00 0.00 C ATOM 721 O HIS A 48 -5.072 6.361 -0.502 1.00 0.00 O ATOM 722 CB HIS A 48 -6.146 9.473 -1.285 1.00 0.00 C ATOM 723 CG HIS A 48 -7.426 8.802 -0.885 1.00 0.00 C ATOM 724 ND1 HIS A 48 -8.110 9.113 0.271 1.00 0.00 N ATOM 725 CD2 HIS A 48 -8.149 7.833 -1.498 1.00 0.00 C ATOM 726 CE1 HIS A 48 -9.197 8.366 0.354 1.00 0.00 C ATOM 727 NE2 HIS A 48 -9.243 7.582 -0.708 1.00 0.00 N ATOM 0 H HIS A 48 -3.106 8.777 -1.930 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.834 8.748 0.261 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.132 10.482 -0.872 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.124 9.572 -2.370 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.909 7.349 -2.433 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.923 8.392 1.153 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.974 6.900 -0.909 1.00 0.00 H new ATOM 736 N LYS A 49 -4.812 7.087 -2.618 1.00 0.00 N ATOM 737 CA LYS A 49 -4.800 5.753 -3.210 1.00 0.00 C ATOM 738 C LYS A 49 -3.397 5.148 -3.152 1.00 0.00 C ATOM 739 O LYS A 49 -3.240 3.931 -3.044 1.00 0.00 O ATOM 740 CB LYS A 49 -5.250 5.839 -4.670 1.00 0.00 C ATOM 741 CG LYS A 49 -6.711 6.225 -4.834 1.00 0.00 C ATOM 742 CD LYS A 49 -7.158 6.131 -6.284 1.00 0.00 C ATOM 743 CE LYS A 49 -8.590 6.615 -6.456 1.00 0.00 C ATOM 744 NZ LYS A 49 -9.047 6.520 -7.870 1.00 0.00 N ATOM 0 H LYS A 49 -4.722 7.844 -3.296 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.481 5.117 -2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.629 6.568 -5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.081 4.876 -5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.331 5.573 -4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.862 7.242 -4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.494 6.726 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.078 5.099 -6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.251 6.024 -5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.666 7.649 -6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.027 6.860 -7.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.433 7.104 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.000 5.530 -8.184 1.00 0.00 H new ATOM 758 N GLU A 50 -2.385 6.015 -3.219 1.00 0.00 N ATOM 759 CA GLU A 50 -0.985 5.594 -3.201 1.00 0.00 C ATOM 760 C GLU A 50 -0.614 4.855 -1.914 1.00 0.00 C ATOM 761 O GLU A 50 -0.135 3.723 -1.970 1.00 0.00 O ATOM 762 CB GLU A 50 -0.076 6.815 -3.375 1.00 0.00 C ATOM 763 CG GLU A 50 1.405 6.472 -3.434 1.00 0.00 C ATOM 764 CD GLU A 50 2.273 7.683 -3.713 1.00 0.00 C ATOM 765 OE1 GLU A 50 2.410 8.056 -4.898 1.00 0.00 O ATOM 766 OE2 GLU A 50 2.816 8.260 -2.749 1.00 0.00 O ATOM 0 H GLU A 50 -2.513 7.025 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.844 4.898 -4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.356 7.337 -4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.247 7.505 -2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.708 6.022 -2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.570 5.724 -4.210 1.00 0.00 H new ATOM 773 N ALA A 51 -0.840 5.498 -0.761 1.00 0.00 N ATOM 774 CA ALA A 51 -0.496 4.910 0.540 1.00 0.00 C ATOM 775 C ALA A 51 -0.918 3.448 0.627 1.00 0.00 C ATOM 776 O ALA A 51 -0.083 2.591 0.914 1.00 0.00 O ATOM 777 CB ALA A 51 -1.104 5.716 1.680 1.00 0.00 C ATOM 0 H ALA A 51 -1.260 6.426 -0.703 1.00 0.00 H new ATOM 0 HA ALA A 51 0.589 4.945 0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.834 5.260 2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.724 6.737 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.189 5.729 1.578 1.00 0.00 H new ATOM 783 N ILE A 52 -2.194 3.147 0.392 1.00 0.00 N ATOM 784 CA ILE A 52 -2.640 1.760 0.481 1.00 0.00 C ATOM 785 C ILE A 52 -1.898 0.913 -0.554 1.00 0.00 C ATOM 786 O ILE A 52 -1.415 -0.175 -0.236 1.00 0.00 O ATOM 787 CB ILE A 52 -4.170 1.628 0.321 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.885 2.408 1.431 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.593 0.166 0.333 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.556 1.925 2.829 1.00 0.00 C ATOM 0 H ILE A 52 -2.917 3.823 0.146 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.403 1.391 1.479 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.455 2.051 -0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.620 3.462 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.962 2.337 1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.675 0.099 0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.108 -0.360 -0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.299 -0.290 1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.099 2.525 3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.847 0.879 2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.485 2.022 3.005 1.00 0.00 H new ATOM 802 N LEU A 53 -1.818 1.414 -1.790 1.00 0.00 N ATOM 803 CA LEU A 53 -1.187 0.674 -2.887 1.00 0.00 C ATOM 804 C LEU A 53 0.216 0.160 -2.532 1.00 0.00 C ATOM 805 O LEU A 53 0.640 -0.879 -3.038 1.00 0.00 O ATOM 806 CB LEU A 53 -1.165 1.520 -4.163 1.00 0.00 C ATOM 807 CG LEU A 53 -0.577 0.850 -5.407 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.464 -0.292 -5.874 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.394 1.875 -6.516 1.00 0.00 C ATOM 0 H LEU A 53 -2.182 2.329 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.797 -0.212 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.186 1.826 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.597 2.428 -3.962 1.00 0.00 H new ATOM 0 HG LEU A 53 0.398 0.436 -5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.027 -0.754 -6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.548 -1.035 -5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.455 0.093 -6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.025 1.388 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.359 2.314 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.284 2.659 -6.178 1.00 0.00 H new ATOM 821 N LEU A 54 0.931 0.898 -1.673 1.00 0.00 N ATOM 822 CA LEU A 54 2.273 0.507 -1.226 1.00 0.00 C ATOM 823 C LEU A 54 2.354 -0.984 -0.867 1.00 0.00 C ATOM 824 O LEU A 54 3.353 -1.646 -1.149 1.00 0.00 O ATOM 825 CB LEU A 54 2.665 1.336 0.004 1.00 0.00 C ATOM 826 CG LEU A 54 3.391 2.656 -0.279 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.533 3.577 -1.129 1.00 0.00 C ATOM 828 CD2 LEU A 54 3.769 3.338 1.027 1.00 0.00 C ATOM 0 H LEU A 54 0.599 1.775 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 54 2.959 0.693 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.761 1.556 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.302 0.724 0.642 1.00 0.00 H new ATOM 0 HG LEU A 54 4.301 2.433 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.071 4.506 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.308 3.091 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.603 3.795 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.284 4.274 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.868 3.544 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.427 2.685 1.601 1.00 0.00 H new ATOM 840 N GLY A 55 1.286 -1.492 -0.235 1.00 0.00 N ATOM 841 CA GLY A 55 1.227 -2.887 0.190 1.00 0.00 C ATOM 842 C GLY A 55 1.660 -3.888 -0.869 1.00 0.00 C ATOM 843 O GLY A 55 2.402 -4.822 -0.563 1.00 0.00 O ATOM 0 H GLY A 55 0.452 -0.951 -0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.858 -3.012 1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.206 -3.118 0.494 1.00 0.00 H new ATOM 847 N LEU A 56 1.184 -3.718 -2.106 1.00 0.00 N ATOM 848 CA LEU A 56 1.534 -4.635 -3.198 1.00 0.00 C ATOM 849 C LEU A 56 3.040 -4.892 -3.258 1.00 0.00 C ATOM 850 O LEU A 56 3.469 -6.038 -3.392 1.00 0.00 O ATOM 851 CB LEU A 56 1.047 -4.103 -4.549 1.00 0.00 C ATOM 852 CG LEU A 56 -0.428 -3.696 -4.610 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.841 -3.410 -6.046 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.311 -4.777 -4.001 1.00 0.00 C ATOM 0 H LEU A 56 0.559 -2.959 -2.377 1.00 0.00 H new ATOM 0 HA LEU A 56 1.031 -5.579 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.655 -3.239 -4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.226 -4.867 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.558 -2.784 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.892 -3.122 -6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.233 -2.598 -6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.695 -4.304 -6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.355 -4.467 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.180 -5.708 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.031 -4.931 -2.959 1.00 0.00 H new ATOM 866 N ARG A 57 3.838 -3.826 -3.164 1.00 0.00 N ATOM 867 CA ARG A 57 5.297 -3.954 -3.202 1.00 0.00 C ATOM 868 C ARG A 57 5.810 -4.777 -2.017 1.00 0.00 C ATOM 869 O ARG A 57 6.776 -5.531 -2.150 1.00 0.00 O ATOM 870 CB ARG A 57 5.958 -2.572 -3.206 1.00 0.00 C ATOM 871 CG ARG A 57 5.723 -1.782 -4.486 1.00 0.00 C ATOM 872 CD ARG A 57 6.251 -2.522 -5.706 1.00 0.00 C ATOM 873 NE ARG A 57 6.100 -1.743 -6.935 1.00 0.00 N ATOM 874 CZ ARG A 57 6.359 -2.218 -8.156 1.00 0.00 C ATOM 875 NH1 ARG A 57 6.768 -3.474 -8.322 1.00 0.00 N ATOM 876 NH2 ARG A 57 6.203 -1.433 -9.218 1.00 0.00 N ATOM 0 H ARG A 57 3.501 -2.869 -3.061 1.00 0.00 H new ATOM 0 HA ARG A 57 5.562 -4.476 -4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.581 -1.997 -2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.031 -2.692 -3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.656 -1.594 -4.607 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.211 -0.811 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.304 -2.760 -5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.722 -3.469 -5.811 1.00 0.00 H new ATOM 0 HE ARG A 57 5.777 -0.779 -6.854 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.886 -4.083 -7.512 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.963 -3.827 -9.259 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.886 -0.471 -9.099 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.400 -1.793 -10.152 1.00 0.00 H new ATOM 890 N TYR A 58 5.157 -4.628 -0.864 1.00 0.00 N ATOM 891 CA TYR A 58 5.528 -5.365 0.344 1.00 0.00 C ATOM 892 C TYR A 58 5.286 -6.865 0.163 1.00 0.00 C ATOM 893 O TYR A 58 6.170 -7.685 0.415 1.00 0.00 O ATOM 894 CB TYR A 58 4.722 -4.851 1.542 1.00 0.00 C ATOM 895 CG TYR A 58 4.975 -5.612 2.826 1.00 0.00 C ATOM 896 CD1 TYR A 58 6.075 -5.321 3.622 1.00 0.00 C ATOM 897 CD2 TYR A 58 4.113 -6.620 3.239 1.00 0.00 C ATOM 898 CE1 TYR A 58 6.309 -6.014 4.795 1.00 0.00 C ATOM 899 CE2 TYR A 58 4.338 -7.315 4.410 1.00 0.00 C ATOM 900 CZ TYR A 58 5.437 -7.009 5.185 1.00 0.00 C ATOM 901 OH TYR A 58 5.665 -7.701 6.354 1.00 0.00 O ATOM 0 H TYR A 58 4.363 -3.999 -0.741 1.00 0.00 H new ATOM 0 HA TYR A 58 6.590 -5.205 0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.959 -3.799 1.702 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.660 -4.905 1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.758 -4.541 3.320 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.252 -6.864 2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.170 -5.778 5.403 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.657 -8.095 4.718 1.00 0.00 H new ATOM 0 HH TYR A 58 4.957 -8.367 6.483 1.00 0.00 H new ATOM 911 N LYS A 59 4.073 -7.206 -0.279 1.00 0.00 N ATOM 912 CA LYS A 59 3.678 -8.594 -0.507 1.00 0.00 C ATOM 913 C LYS A 59 4.304 -9.173 -1.782 1.00 0.00 C ATOM 914 O LYS A 59 4.254 -10.384 -2.000 1.00 0.00 O ATOM 915 CB LYS A 59 2.153 -8.689 -0.601 1.00 0.00 C ATOM 916 CG LYS A 59 1.444 -8.436 0.720 1.00 0.00 C ATOM 917 CD LYS A 59 1.727 -9.542 1.726 1.00 0.00 C ATOM 918 CE LYS A 59 1.080 -9.257 3.071 1.00 0.00 C ATOM 919 NZ LYS A 59 1.244 -10.391 4.022 1.00 0.00 N ATOM 0 H LYS A 59 3.340 -6.528 -0.488 1.00 0.00 H new ATOM 0 HA LYS A 59 4.042 -9.179 0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.797 -7.969 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.881 -9.679 -0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.767 -7.479 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.370 -8.364 0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.357 -10.491 1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.804 -9.649 1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.520 -8.357 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.018 -9.056 2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.788 -10.154 4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.802 -11.244 3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.257 -10.567 4.181 1.00 0.00 H new ATOM 933 N LYS A 60 4.884 -8.306 -2.622 1.00 0.00 N ATOM 934 CA LYS A 60 5.512 -8.732 -3.873 1.00 0.00 C ATOM 935 C LYS A 60 4.460 -9.251 -4.855 1.00 0.00 C ATOM 936 O LYS A 60 4.416 -10.444 -5.168 1.00 0.00 O ATOM 937 CB LYS A 60 6.583 -9.802 -3.615 1.00 0.00 C ATOM 938 CG LYS A 60 7.667 -9.366 -2.638 1.00 0.00 C ATOM 939 CD LYS A 60 8.449 -8.168 -3.156 1.00 0.00 C ATOM 940 CE LYS A 60 9.252 -8.516 -4.402 1.00 0.00 C ATOM 941 NZ LYS A 60 9.999 -7.340 -4.931 1.00 0.00 N ATOM 0 H LYS A 60 4.930 -7.301 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 60 6.001 -7.865 -4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.100 -10.700 -3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.049 -10.072 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.212 -9.116 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.350 -10.196 -2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.760 -7.354 -3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.122 -7.809 -2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.954 -9.317 -4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.580 -8.895 -5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.532 -7.620 -5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.328 -6.585 -5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.659 -6.993 -4.206 1.00 0.00 H new ATOM 955 N LEU A 61 3.609 -8.341 -5.328 1.00 0.00 N ATOM 956 CA LEU A 61 2.552 -8.698 -6.280 1.00 0.00 C ATOM 957 C LEU A 61 1.899 -7.465 -6.917 1.00 0.00 C ATOM 958 O LEU A 61 0.729 -7.505 -7.294 1.00 0.00 O ATOM 959 CB LEU A 61 1.490 -9.568 -5.589 1.00 0.00 C ATOM 960 CG LEU A 61 1.153 -9.177 -4.142 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.643 -7.746 -4.065 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.129 -10.137 -3.559 1.00 0.00 C ATOM 0 H LEU A 61 3.629 -7.354 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 61 3.019 -9.265 -7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.575 -9.530 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.832 -10.603 -5.597 1.00 0.00 H new ATOM 0 HG LEU A 61 2.068 -9.240 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.413 -7.497 -3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.408 -7.066 -4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.258 -7.648 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.099 -9.847 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.782 -10.104 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.533 -11.149 -3.568 1.00 0.00 H new ATOM 974 N TYR A 62 2.662 -6.381 -7.061 1.00 0.00 N ATOM 975 CA TYR A 62 2.147 -5.149 -7.660 1.00 0.00 C ATOM 976 C TYR A 62 1.724 -5.356 -9.123 1.00 0.00 C ATOM 977 O TYR A 62 0.934 -4.576 -9.659 1.00 0.00 O ATOM 978 CB TYR A 62 3.211 -4.047 -7.569 1.00 0.00 C ATOM 979 CG TYR A 62 2.800 -2.738 -8.206 1.00 0.00 C ATOM 980 CD1 TYR A 62 1.972 -1.846 -7.539 1.00 0.00 C ATOM 981 CD2 TYR A 62 3.247 -2.393 -9.477 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.599 -0.649 -8.119 1.00 0.00 C ATOM 983 CE2 TYR A 62 2.878 -1.198 -10.063 1.00 0.00 C ATOM 984 CZ TYR A 62 2.054 -0.330 -9.380 1.00 0.00 C ATOM 985 OH TYR A 62 1.686 0.862 -9.962 1.00 0.00 O ATOM 0 H TYR A 62 3.639 -6.331 -6.771 1.00 0.00 H new ATOM 0 HA TYR A 62 1.259 -4.851 -7.103 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.447 -3.870 -6.520 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.126 -4.399 -8.046 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.613 -2.092 -6.550 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.893 -3.071 -10.015 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.954 0.034 -7.586 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.233 -0.945 -11.051 1.00 0.00 H new ATOM 0 HH TYR A 62 2.094 0.932 -10.850 1.00 0.00 H new ATOM 995 N ASN A 63 2.240 -6.412 -9.758 1.00 0.00 N ATOM 996 CA ASN A 63 1.931 -6.704 -11.158 1.00 0.00 C ATOM 997 C ASN A 63 0.452 -7.058 -11.375 1.00 0.00 C ATOM 998 O ASN A 63 -0.262 -6.327 -12.064 1.00 0.00 O ATOM 999 CB ASN A 63 2.823 -7.842 -11.667 1.00 0.00 C ATOM 1000 CG ASN A 63 2.676 -8.083 -13.159 1.00 0.00 C ATOM 1001 OD1 ASN A 63 2.354 -7.172 -13.921 1.00 0.00 O ATOM 1002 ND2 ASN A 63 2.918 -9.319 -13.586 1.00 0.00 N ATOM 0 H ASN A 63 2.876 -7.080 -9.322 1.00 0.00 H new ATOM 0 HA ASN A 63 2.130 -5.795 -11.726 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.864 -7.610 -11.442 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.577 -8.758 -11.130 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.839 -9.540 -14.579 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.183 -10.046 -12.921 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.006 -8.170 -10.789 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.396 -8.606 -10.966 1.00 0.00 C ATOM 1011 C GLN A 64 -2.323 -8.127 -9.843 1.00 0.00 C ATOM 1012 O GLN A 64 -3.534 -8.325 -9.938 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.467 -10.131 -11.081 1.00 0.00 C ATOM 1014 CG GLN A 64 -1.668 -10.626 -12.504 1.00 0.00 C ATOM 1015 CD GLN A 64 -0.475 -10.348 -13.399 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -0.379 -9.285 -14.012 1.00 0.00 O ATOM 1017 NE2 GLN A 64 0.442 -11.307 -13.484 1.00 0.00 N ATOM 0 H GLN A 64 0.558 -8.778 -10.195 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.748 -8.147 -11.890 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.548 -10.560 -10.683 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.285 -10.496 -10.459 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.861 -11.699 -12.487 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.552 -10.150 -12.928 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.324 -12.173 -12.959 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.264 -11.176 -14.074 1.00 0.00 H new ATOM 1026 N ALA A 65 -1.796 -7.504 -8.792 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.653 -7.049 -7.696 1.00 0.00 C ATOM 1028 C ALA A 65 -3.481 -5.827 -8.096 1.00 0.00 C ATOM 1029 O ALA A 65 -4.614 -5.662 -7.641 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.827 -6.748 -6.457 1.00 0.00 C ATOM 0 H ALA A 65 -0.803 -7.305 -8.674 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.346 -7.858 -7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.484 -6.411 -5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.302 -7.650 -6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.102 -5.967 -6.684 1.00 0.00 H new ATOM 1036 N ARG A 66 -2.911 -4.976 -8.951 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.594 -3.768 -9.411 1.00 0.00 C ATOM 1038 C ARG A 66 -4.639 -4.081 -10.491 1.00 0.00 C ATOM 1039 O ARG A 66 -5.606 -3.335 -10.654 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.567 -2.762 -9.939 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.173 -1.449 -10.406 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.113 -0.369 -10.544 1.00 0.00 C ATOM 1043 NE ARG A 66 -2.604 0.792 -11.287 1.00 0.00 N ATOM 1044 CZ ARG A 66 -1.983 1.973 -11.325 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -0.848 2.162 -10.656 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -2.500 2.970 -12.034 1.00 0.00 N ATOM 0 H ARG A 66 -1.976 -5.102 -9.339 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.123 -3.336 -8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.839 -2.556 -9.155 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.023 -3.215 -10.768 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.671 -1.597 -11.364 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.935 -1.125 -9.697 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.787 -0.053 -9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.240 -0.781 -11.051 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.475 0.693 -11.808 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.446 1.401 -10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.380 3.068 -10.691 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.370 2.833 -12.548 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.027 3.873 -12.064 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.445 -5.183 -11.222 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.377 -5.578 -12.282 1.00 0.00 C ATOM 1062 C VAL A 67 -6.499 -6.472 -11.748 1.00 0.00 C ATOM 1063 O VAL A 67 -7.648 -6.350 -12.172 1.00 0.00 O ATOM 1064 CB VAL A 67 -4.653 -6.301 -13.442 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -3.579 -5.408 -14.046 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -4.055 -7.623 -12.979 1.00 0.00 C ATOM 0 H VAL A 67 -3.654 -5.815 -11.100 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.815 -4.655 -12.662 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.392 -6.519 -14.213 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.082 -5.936 -14.860 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.037 -4.497 -14.431 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.847 -5.151 -13.280 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.553 -8.108 -13.816 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.335 -7.437 -12.182 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.849 -8.271 -12.607 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.158 -7.372 -10.822 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.137 -8.286 -10.234 1.00 0.00 C ATOM 1078 C LYS A 68 -8.046 -7.571 -9.237 1.00 0.00 C ATOM 1079 O LYS A 68 -9.231 -7.893 -9.129 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.425 -9.450 -9.539 1.00 0.00 C ATOM 1081 CG LYS A 68 -5.683 -10.374 -10.492 1.00 0.00 C ATOM 1082 CD LYS A 68 -6.636 -11.098 -11.430 1.00 0.00 C ATOM 1083 CE LYS A 68 -5.887 -12.022 -12.379 1.00 0.00 C ATOM 1084 NZ LYS A 68 -6.808 -12.717 -13.321 1.00 0.00 N ATOM 0 H LYS A 68 -5.210 -7.486 -10.464 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.757 -8.669 -11.045 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.718 -9.049 -8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.159 -10.032 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.967 -9.796 -11.076 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.111 -11.104 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.353 -11.676 -10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.207 -10.369 -12.005 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.156 -11.445 -12.946 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.332 -12.762 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.258 -13.337 -13.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.490 -13.288 -12.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.320 -12.012 -13.890 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.484 -6.606 -8.512 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.237 -5.848 -7.517 1.00 0.00 C ATOM 1100 C TYR A 69 -8.426 -4.402 -7.963 1.00 0.00 C ATOM 1101 O TYR A 69 -7.598 -3.854 -8.694 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.516 -5.889 -6.169 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.580 -7.234 -5.480 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -6.941 -8.346 -6.016 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -8.278 -7.388 -4.291 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -7.000 -9.574 -5.385 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -8.340 -8.611 -3.654 1.00 0.00 C ATOM 1108 CZ TYR A 69 -7.699 -9.701 -4.205 1.00 0.00 C ATOM 1109 OH TYR A 69 -7.758 -10.922 -3.573 1.00 0.00 O ATOM 0 H TYR A 69 -6.506 -6.330 -8.596 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.220 -6.306 -7.412 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.471 -5.618 -6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.950 -5.135 -5.513 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.390 -8.249 -6.940 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.781 -6.537 -3.857 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.501 -10.430 -5.815 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.888 -8.714 -2.729 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.459 -10.902 -2.888 1.00 0.00 H new ATOM 1119 N SER A 70 -9.519 -3.787 -7.515 1.00 0.00 N ATOM 1120 CA SER A 70 -9.821 -2.403 -7.869 1.00 0.00 C ATOM 1121 C SER A 70 -9.089 -1.426 -6.949 1.00 0.00 C ATOM 1122 O SER A 70 -9.607 -1.035 -5.901 1.00 0.00 O ATOM 1123 CB SER A 70 -11.330 -2.151 -7.813 1.00 0.00 C ATOM 1124 OG SER A 70 -12.001 -2.839 -8.854 1.00 0.00 O ATOM 0 H SER A 70 -10.210 -4.226 -6.906 1.00 0.00 H new ATOM 0 HA SER A 70 -9.474 -2.236 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.720 -2.475 -6.848 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.527 -1.082 -7.894 1.00 0.00 H new ATOM 0 HG SER A 70 -12.036 -2.271 -9.652 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.872 -1.049 -7.346 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.063 -0.108 -6.573 1.00 0.00 C ATOM 1132 C LEU A 71 -7.098 1.271 -7.227 1.00 0.00 C ATOM 1133 O LEU A 71 -7.587 2.233 -6.634 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.618 -0.608 -6.454 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.416 -1.811 -5.526 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.026 -3.068 -6.127 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -3.937 -2.023 -5.240 1.00 0.00 C ATOM 0 H LEU A 71 -7.425 -1.382 -8.200 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.481 -0.032 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.259 -0.873 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.995 0.213 -6.099 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.925 -1.602 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.870 -3.908 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.095 -2.917 -6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.551 -3.281 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.814 -2.881 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.408 -2.206 -6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.528 -1.134 -4.760 1.00 0.00 H new ATOM 1149 N LEU A 72 -6.577 1.359 -8.453 1.00 0.00 N ATOM 1150 CA LEU A 72 -6.561 2.620 -9.188 1.00 0.00 C ATOM 1151 C LEU A 72 -7.708 2.661 -10.194 1.00 0.00 C ATOM 1152 O LEU A 72 -7.550 2.264 -11.352 1.00 0.00 O ATOM 1153 CB LEU A 72 -5.218 2.818 -9.903 1.00 0.00 C ATOM 1154 CG LEU A 72 -4.038 3.194 -8.997 1.00 0.00 C ATOM 1155 CD1 LEU A 72 -4.332 4.477 -8.235 1.00 0.00 C ATOM 1156 CD2 LEU A 72 -3.713 2.060 -8.033 1.00 0.00 C ATOM 0 H LEU A 72 -6.163 0.573 -8.954 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.691 3.433 -8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.969 1.898 -10.432 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.338 3.597 -10.656 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.166 3.364 -9.629 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.482 4.725 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.505 5.288 -8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.219 4.338 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.873 2.349 -7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.582 1.852 -7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.450 1.166 -8.598 1.00 0.00 H new ATOM 1168 N GLU A 73 -8.869 3.129 -9.736 1.00 0.00 N ATOM 1169 CA GLU A 73 -10.053 3.215 -10.585 1.00 0.00 C ATOM 1170 C GLU A 73 -10.234 4.633 -11.125 1.00 0.00 C ATOM 1171 O GLU A 73 -10.661 5.518 -10.351 1.00 0.00 O ATOM 1172 CB GLU A 73 -11.302 2.774 -9.809 1.00 0.00 C ATOM 1173 CG GLU A 73 -11.146 1.433 -9.102 1.00 0.00 C ATOM 1174 CD GLU A 73 -10.720 0.316 -10.038 1.00 0.00 C ATOM 1175 OE1 GLU A 73 -11.594 -0.246 -10.731 1.00 0.00 O ATOM 1176 OE2 GLU A 73 -9.510 0.003 -10.077 1.00 0.00 O ATOM 0 H GLU A 73 -9.013 3.454 -8.780 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.914 2.543 -11.432 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.547 3.537 -9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.144 2.715 -10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.410 1.532 -8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.092 1.164 -8.631 1.00 0.00 H new TER 1183 GLU A 73