USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 536 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 Single : A 3 LYS NZ :NH3+ 140:sc= 2 (180deg=-0.135!) USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= -0.0561 (180deg=-0.34) USER MOD Single : A 5 SER OG : rot 170:sc= 0 USER MOD Single : A 12 SER OG : rot 165:sc= 0.561 USER MOD Single : A 14 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc=-0.00274 (180deg=-0.187) USER MOD Single : A 24 CYS SG : rot 35:sc= 1.14 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.148 K(o=-0.15,f=-0.7) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.0207 F(o=-1.1,f=-0.021) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= -0.0377 (180deg=-0.3) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.766 K(o=0.77,f=-8.5!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= 0.716 (180deg=0.278) USER MOD Single : A 58 THR OG1 : rot -69:sc= 1.22 USER MOD Single : A 61 SER OG : rot 30:sc= -0.514! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 2.44 (180deg=2.23) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 3 -7.037 -8.894 7.144 1.00 0.00 N ATOM 2 CA LYS A 3 -7.045 -8.137 5.903 1.00 0.00 C ATOM 3 C LYS A 3 -8.279 -7.243 5.863 1.00 0.00 C ATOM 4 O LYS A 3 -9.403 -7.717 5.668 1.00 0.00 O ATOM 5 CB LYS A 3 -7.012 -9.091 4.705 1.00 0.00 C ATOM 6 CG LYS A 3 -6.656 -8.417 3.391 1.00 0.00 C ATOM 7 CD LYS A 3 -6.434 -9.438 2.286 1.00 0.00 C ATOM 8 CE LYS A 3 -6.008 -8.775 0.987 1.00 0.00 C ATOM 9 NZ LYS A 3 -7.100 -7.979 0.380 1.00 0.00 N ATOM 0 HA LYS A 3 -6.158 -7.506 5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.290 -9.883 4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.987 -9.567 4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.455 -7.734 3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.755 -7.817 3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.671 -10.152 2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.352 -10.003 2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.151 -8.128 1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.682 -9.539 0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.711 -7.096 -0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.546 -8.527 -0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.811 -7.755 1.105 1.00 0.00 H new ATOM 23 N LYS A 4 -8.064 -5.954 6.074 1.00 0.00 N ATOM 24 CA LYS A 4 -9.155 -5.008 6.245 1.00 0.00 C ATOM 25 C LYS A 4 -8.807 -3.667 5.628 1.00 0.00 C ATOM 26 O LYS A 4 -7.663 -3.207 5.732 1.00 0.00 O ATOM 27 CB LYS A 4 -9.459 -4.829 7.739 1.00 0.00 C ATOM 28 CG LYS A 4 -10.371 -3.649 8.046 1.00 0.00 C ATOM 29 CD LYS A 4 -10.597 -3.487 9.539 1.00 0.00 C ATOM 30 CE LYS A 4 -11.610 -4.494 10.064 1.00 0.00 C ATOM 31 NZ LYS A 4 -12.977 -4.227 9.540 1.00 0.00 N ATOM 0 H LYS A 4 -7.135 -5.536 6.131 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.036 -5.403 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.921 -5.741 8.117 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.520 -4.700 8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.933 -2.736 7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.329 -3.790 7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.651 -3.612 10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.947 -2.476 9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.302 -5.501 9.781 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.625 -4.460 11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.680 -4.688 10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.149 -3.201 9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.059 -4.605 8.574 1.00 0.00 H new ATOM 45 N SER A 5 -9.797 -3.061 4.975 1.00 0.00 N ATOM 46 CA SER A 5 -9.662 -1.721 4.436 1.00 0.00 C ATOM 47 C SER A 5 -9.232 -0.760 5.528 1.00 0.00 C ATOM 48 O SER A 5 -9.930 -0.561 6.525 1.00 0.00 O ATOM 49 CB SER A 5 -10.972 -1.257 3.793 1.00 0.00 C ATOM 50 OG SER A 5 -10.920 0.116 3.436 1.00 0.00 O ATOM 0 H SER A 5 -10.708 -3.488 4.808 1.00 0.00 H new ATOM 0 HA SER A 5 -8.895 -1.736 3.662 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.175 -1.857 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.797 -1.423 4.486 1.00 0.00 H new ATOM 0 HG SER A 5 -11.700 0.341 2.887 1.00 0.00 H new ATOM 56 N ARG A 6 -8.078 -0.169 5.321 1.00 0.00 N ATOM 57 CA ARG A 6 -7.450 0.663 6.325 1.00 0.00 C ATOM 58 C ARG A 6 -6.886 1.917 5.701 1.00 0.00 C ATOM 59 O ARG A 6 -6.974 2.112 4.497 1.00 0.00 O ATOM 60 CB ARG A 6 -6.325 -0.096 7.007 1.00 0.00 C ATOM 61 CG ARG A 6 -5.232 -0.534 6.056 1.00 0.00 C ATOM 62 CD ARG A 6 -4.246 -1.475 6.727 1.00 0.00 C ATOM 63 NE ARG A 6 -4.888 -2.695 7.218 1.00 0.00 N ATOM 64 CZ ARG A 6 -4.345 -3.487 8.143 1.00 0.00 C ATOM 65 NH1 ARG A 6 -3.155 -3.192 8.653 1.00 0.00 N ATOM 66 NH2 ARG A 6 -4.982 -4.579 8.551 1.00 0.00 N ATOM 0 H ARG A 6 -7.548 -0.250 4.454 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.209 0.935 7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.890 0.534 7.783 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.738 -0.974 7.503 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.677 -1.029 5.193 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.702 0.342 5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.461 -1.740 6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.765 -0.960 7.559 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.797 -2.952 6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.657 -2.360 8.337 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.739 -3.797 9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.892 -4.816 8.156 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.561 -5.181 9.259 1.00 0.00 H new ATOM 80 N LEU A 7 -6.275 2.738 6.527 1.00 0.00 N ATOM 81 CA LEU A 7 -5.752 4.014 6.085 1.00 0.00 C ATOM 82 C LEU A 7 -4.319 3.851 5.590 1.00 0.00 C ATOM 83 O LEU A 7 -3.407 3.580 6.375 1.00 0.00 O ATOM 84 CB LEU A 7 -5.807 5.029 7.227 1.00 0.00 C ATOM 85 CG LEU A 7 -6.362 6.406 6.858 1.00 0.00 C ATOM 86 CD1 LEU A 7 -6.246 7.358 8.032 1.00 0.00 C ATOM 87 CD2 LEU A 7 -5.644 6.973 5.648 1.00 0.00 C ATOM 0 H LEU A 7 -6.127 2.543 7.517 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.366 4.381 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.417 4.614 8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.800 5.157 7.625 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.416 6.289 6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.646 8.332 7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.811 6.964 8.877 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.198 7.463 8.313 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.057 7.952 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.581 7.072 5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.777 6.303 4.799 1.00 0.00 H new ATOM 99 N TRP A 8 -4.138 4.002 4.289 1.00 0.00 N ATOM 100 CA TRP A 8 -2.824 3.914 3.671 1.00 0.00 C ATOM 101 C TRP A 8 -2.200 5.293 3.599 1.00 0.00 C ATOM 102 O TRP A 8 -2.877 6.272 3.273 1.00 0.00 O ATOM 103 CB TRP A 8 -2.926 3.317 2.266 1.00 0.00 C ATOM 104 CG TRP A 8 -3.411 1.901 2.255 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.657 1.464 2.586 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.659 0.739 1.891 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.729 0.102 2.465 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.513 -0.371 2.035 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.345 0.528 1.458 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -3.097 -1.672 1.763 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.934 -0.763 1.187 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.806 -1.849 1.339 1.00 0.00 C ATOM 0 H TRP A 8 -4.895 4.189 3.632 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.197 3.262 4.279 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.601 3.929 1.667 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.947 3.362 1.788 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.472 2.100 2.899 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.551 -0.468 2.662 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.665 1.359 1.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.767 -2.511 1.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.078 -0.938 0.852 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.454 -2.846 1.118 1.00 0.00 H new ATOM 123 N VAL A 9 -0.917 5.367 3.901 1.00 0.00 N ATOM 124 CA VAL A 9 -0.224 6.643 3.982 1.00 0.00 C ATOM 125 C VAL A 9 1.060 6.623 3.156 1.00 0.00 C ATOM 126 O VAL A 9 1.746 5.605 3.083 1.00 0.00 O ATOM 127 CB VAL A 9 0.119 6.993 5.450 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.826 8.337 5.542 1.00 0.00 C ATOM 129 CG2 VAL A 9 -1.132 6.992 6.317 1.00 0.00 C ATOM 0 H VAL A 9 -0.330 4.556 4.095 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.894 7.403 3.580 1.00 0.00 H new ATOM 0 HB VAL A 9 0.796 6.225 5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.055 8.557 6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.751 8.301 4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.179 9.117 5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.863 7.241 7.344 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.838 7.730 5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.592 6.004 6.292 1.00 0.00 H new ATOM 139 N ASP A 10 1.358 7.748 2.516 1.00 0.00 N ATOM 140 CA ASP A 10 2.628 7.921 1.815 1.00 0.00 C ATOM 141 C ASP A 10 3.763 8.135 2.804 1.00 0.00 C ATOM 142 O ASP A 10 3.555 8.541 3.946 1.00 0.00 O ATOM 143 CB ASP A 10 2.552 9.089 0.818 1.00 0.00 C ATOM 144 CG ASP A 10 3.871 9.822 0.622 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.722 9.344 -0.146 1.00 0.00 O ATOM 146 OD2 ASP A 10 4.062 10.878 1.248 1.00 0.00 O ATOM 0 H ASP A 10 0.737 8.556 2.467 1.00 0.00 H new ATOM 0 HA ASP A 10 2.829 7.009 1.253 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.212 8.709 -0.146 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.801 9.800 1.163 1.00 0.00 H new ATOM 151 N ARG A 11 4.962 7.876 2.315 1.00 0.00 N ATOM 152 CA ARG A 11 6.180 7.864 3.125 1.00 0.00 C ATOM 153 C ARG A 11 6.505 9.238 3.708 1.00 0.00 C ATOM 154 O ARG A 11 7.238 9.351 4.689 1.00 0.00 O ATOM 155 CB ARG A 11 7.330 7.341 2.276 1.00 0.00 C ATOM 156 CG ARG A 11 7.405 7.960 0.896 1.00 0.00 C ATOM 157 CD ARG A 11 8.336 9.151 0.866 1.00 0.00 C ATOM 158 NE ARG A 11 9.733 8.745 0.998 1.00 0.00 N ATOM 159 CZ ARG A 11 10.717 9.584 1.309 1.00 0.00 C ATOM 160 NH1 ARG A 11 10.438 10.842 1.615 1.00 0.00 N ATOM 161 NH2 ARG A 11 11.975 9.164 1.336 1.00 0.00 N ATOM 0 H ARG A 11 5.126 7.664 1.331 1.00 0.00 H new ATOM 0 HA ARG A 11 6.021 7.205 3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.268 7.527 2.798 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.231 6.260 2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.747 7.213 0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.408 8.269 0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.201 9.695 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.078 9.836 1.674 1.00 0.00 H new ATOM 0 HE ARG A 11 9.967 7.764 0.843 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.471 11.165 1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.191 11.488 1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.193 8.192 1.117 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.724 9.813 1.575 1.00 0.00 H new ATOM 175 N SER A 12 5.965 10.269 3.091 1.00 0.00 N ATOM 176 CA SER A 12 6.109 11.632 3.590 1.00 0.00 C ATOM 177 C SER A 12 4.761 12.193 4.047 1.00 0.00 C ATOM 178 O SER A 12 4.650 13.371 4.391 1.00 0.00 O ATOM 179 CB SER A 12 6.716 12.533 2.511 1.00 0.00 C ATOM 180 OG SER A 12 8.049 12.151 2.212 1.00 0.00 O ATOM 0 H SER A 12 5.416 10.193 2.235 1.00 0.00 H new ATOM 0 HA SER A 12 6.779 11.608 4.449 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.109 12.481 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.699 13.570 2.848 1.00 0.00 H new ATOM 0 HG SER A 12 8.329 12.570 1.371 1.00 0.00 H new ATOM 186 N GLY A 13 3.740 11.344 4.054 1.00 0.00 N ATOM 187 CA GLY A 13 2.411 11.775 4.446 1.00 0.00 C ATOM 188 C GLY A 13 1.736 12.616 3.379 1.00 0.00 C ATOM 189 O GLY A 13 0.850 13.413 3.676 1.00 0.00 O ATOM 0 H GLY A 13 3.810 10.360 3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.796 10.900 4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.476 12.350 5.370 1.00 0.00 H new ATOM 193 N THR A 14 2.155 12.435 2.135 1.00 0.00 N ATOM 194 CA THR A 14 1.623 13.209 1.022 1.00 0.00 C ATOM 195 C THR A 14 0.165 12.847 0.731 1.00 0.00 C ATOM 196 O THR A 14 -0.656 13.723 0.457 1.00 0.00 O ATOM 197 CB THR A 14 2.475 13.002 -0.245 1.00 0.00 C ATOM 198 OG1 THR A 14 3.864 13.168 0.075 1.00 0.00 O ATOM 199 CG2 THR A 14 2.085 13.982 -1.342 1.00 0.00 C ATOM 0 H THR A 14 2.867 11.754 1.870 1.00 0.00 H new ATOM 0 HA THR A 14 1.663 14.259 1.311 1.00 0.00 H new ATOM 0 HB THR A 14 2.296 11.991 -0.612 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.230 12.317 0.395 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.705 13.809 -2.222 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.037 13.838 -1.603 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.234 15.002 -0.988 1.00 0.00 H new ATOM 207 N PHE A 15 -0.164 11.562 0.806 1.00 0.00 N ATOM 208 CA PHE A 15 -1.534 11.131 0.568 1.00 0.00 C ATOM 209 C PHE A 15 -1.941 10.085 1.596 1.00 0.00 C ATOM 210 O PHE A 15 -1.121 9.268 2.020 1.00 0.00 O ATOM 211 CB PHE A 15 -1.708 10.586 -0.867 1.00 0.00 C ATOM 212 CG PHE A 15 -1.374 9.120 -1.050 1.00 0.00 C ATOM 213 CD1 PHE A 15 -0.061 8.687 -1.147 1.00 0.00 C ATOM 214 CD2 PHE A 15 -2.387 8.173 -1.122 1.00 0.00 C ATOM 215 CE1 PHE A 15 0.234 7.346 -1.310 1.00 0.00 C ATOM 216 CE2 PHE A 15 -2.095 6.833 -1.285 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.784 6.419 -1.378 1.00 0.00 C ATOM 0 H PHE A 15 0.490 10.811 1.027 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.187 11.997 0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.741 10.747 -1.176 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.079 11.171 -1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.743 9.407 -1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.417 8.489 -1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.262 7.025 -1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.895 6.109 -1.340 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.555 5.371 -1.504 1.00 0.00 H new ATOM 227 N LYS A 16 -3.195 10.144 2.026 1.00 0.00 N ATOM 228 CA LYS A 16 -3.747 9.135 2.916 1.00 0.00 C ATOM 229 C LYS A 16 -5.153 8.773 2.466 1.00 0.00 C ATOM 230 O LYS A 16 -5.979 9.656 2.226 1.00 0.00 O ATOM 231 CB LYS A 16 -3.796 9.629 4.365 1.00 0.00 C ATOM 232 CG LYS A 16 -2.510 10.264 4.857 1.00 0.00 C ATOM 233 CD LYS A 16 -2.582 10.576 6.340 1.00 0.00 C ATOM 234 CE LYS A 16 -1.411 11.429 6.783 1.00 0.00 C ATOM 235 NZ LYS A 16 -1.489 12.814 6.241 1.00 0.00 N ATOM 0 H LYS A 16 -3.850 10.883 1.771 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.098 8.260 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.604 10.354 4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.043 8.789 5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.673 9.592 4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.318 11.181 4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.515 11.095 6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.593 9.646 6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.383 11.468 7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.481 10.964 6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.827 13.427 6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.237 12.807 5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.457 13.177 6.353 1.00 0.00 H new ATOM 249 N VAL A 17 -5.424 7.481 2.355 1.00 0.00 N ATOM 250 CA VAL A 17 -6.752 7.006 1.974 1.00 0.00 C ATOM 251 C VAL A 17 -7.066 5.672 2.613 1.00 0.00 C ATOM 252 O VAL A 17 -6.182 4.841 2.806 1.00 0.00 O ATOM 253 CB VAL A 17 -6.927 6.848 0.448 1.00 0.00 C ATOM 254 CG1 VAL A 17 -7.547 8.097 -0.150 1.00 0.00 C ATOM 255 CG2 VAL A 17 -5.603 6.517 -0.225 1.00 0.00 C ATOM 0 H VAL A 17 -4.744 6.740 2.523 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.438 7.775 2.330 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.605 6.013 0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.662 7.967 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.524 8.270 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.901 8.953 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.757 6.412 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.889 7.319 -0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.213 5.583 0.179 1.00 0.00 H new ATOM 265 N ASP A 18 -8.329 5.474 2.934 1.00 0.00 N ATOM 266 CA ASP A 18 -8.787 4.199 3.463 1.00 0.00 C ATOM 267 C ASP A 18 -9.048 3.264 2.300 1.00 0.00 C ATOM 268 O ASP A 18 -9.857 3.569 1.418 1.00 0.00 O ATOM 269 CB ASP A 18 -10.067 4.359 4.284 1.00 0.00 C ATOM 270 CG ASP A 18 -9.981 5.455 5.328 1.00 0.00 C ATOM 271 OD1 ASP A 18 -10.194 6.637 4.970 1.00 0.00 O ATOM 272 OD2 ASP A 18 -9.716 5.145 6.512 1.00 0.00 O ATOM 0 H ASP A 18 -9.060 6.179 2.839 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.018 3.796 4.122 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.897 4.573 3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.293 3.414 4.778 1.00 0.00 H new ATOM 277 N ALA A 19 -8.367 2.137 2.290 1.00 0.00 N ATOM 278 CA ALA A 19 -8.429 1.237 1.150 1.00 0.00 C ATOM 279 C ALA A 19 -7.968 -0.163 1.514 1.00 0.00 C ATOM 280 O ALA A 19 -7.473 -0.406 2.614 1.00 0.00 O ATOM 281 CB ALA A 19 -7.588 1.786 0.010 1.00 0.00 C ATOM 0 H ALA A 19 -7.767 1.821 3.052 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.470 1.170 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.640 1.106 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.968 2.764 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.552 1.882 0.335 1.00 0.00 H new ATOM 287 N GLU A 20 -8.151 -1.079 0.579 1.00 0.00 N ATOM 288 CA GLU A 20 -7.754 -2.464 0.763 1.00 0.00 C ATOM 289 C GLU A 20 -6.890 -2.909 -0.411 1.00 0.00 C ATOM 290 O GLU A 20 -7.137 -2.514 -1.551 1.00 0.00 O ATOM 291 CB GLU A 20 -9.005 -3.336 0.869 1.00 0.00 C ATOM 292 CG GLU A 20 -9.019 -4.243 2.085 1.00 0.00 C ATOM 293 CD GLU A 20 -8.209 -5.503 1.896 1.00 0.00 C ATOM 294 OE1 GLU A 20 -6.964 -5.426 1.861 1.00 0.00 O ATOM 295 OE2 GLU A 20 -8.822 -6.586 1.781 1.00 0.00 O ATOM 0 H GLU A 20 -8.578 -0.884 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.173 -2.565 1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.884 -2.692 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.087 -3.948 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.631 -3.695 2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.049 -4.512 2.318 1.00 0.00 H new ATOM 302 N PHE A 21 -5.881 -3.722 -0.128 1.00 0.00 N ATOM 303 CA PHE A 21 -4.961 -4.186 -1.157 1.00 0.00 C ATOM 304 C PHE A 21 -5.599 -5.293 -1.975 1.00 0.00 C ATOM 305 O PHE A 21 -6.157 -6.246 -1.430 1.00 0.00 O ATOM 306 CB PHE A 21 -3.657 -4.694 -0.536 1.00 0.00 C ATOM 307 CG PHE A 21 -2.753 -5.398 -1.512 1.00 0.00 C ATOM 308 CD1 PHE A 21 -1.888 -4.686 -2.325 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.777 -6.778 -1.621 1.00 0.00 C ATOM 310 CE1 PHE A 21 -1.068 -5.335 -3.221 1.00 0.00 C ATOM 311 CE2 PHE A 21 -1.960 -7.430 -2.517 1.00 0.00 C ATOM 312 CZ PHE A 21 -1.105 -6.707 -3.318 1.00 0.00 C ATOM 0 H PHE A 21 -5.679 -4.074 0.808 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.733 -3.342 -1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.120 -3.851 -0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.896 -5.376 0.280 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.856 -3.609 -2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.445 -7.351 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.396 -4.767 -3.847 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.990 -8.507 -2.591 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.464 -7.216 -4.022 1.00 0.00 H new ATOM 322 N ILE A 22 -5.500 -5.168 -3.280 1.00 0.00 N ATOM 323 CA ILE A 22 -6.058 -6.165 -4.172 1.00 0.00 C ATOM 324 C ILE A 22 -4.947 -6.913 -4.899 1.00 0.00 C ATOM 325 O ILE A 22 -4.905 -8.144 -4.896 1.00 0.00 O ATOM 326 CB ILE A 22 -7.001 -5.530 -5.217 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.413 -4.112 -4.814 1.00 0.00 C ATOM 328 CG2 ILE A 22 -8.247 -6.386 -5.387 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.267 -3.418 -5.856 1.00 0.00 C ATOM 0 H ILE A 22 -5.039 -4.388 -3.748 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.632 -6.859 -3.558 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.457 -5.476 -6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.962 -4.154 -3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.517 -3.518 -4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.905 -5.929 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.961 -7.383 -5.723 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.770 -6.461 -4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.524 -2.418 -5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.712 -3.345 -6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.180 -3.991 -6.019 1.00 0.00 H new ATOM 341 N GLY A 23 -4.037 -6.162 -5.502 1.00 0.00 N ATOM 342 CA GLY A 23 -2.969 -6.766 -6.275 1.00 0.00 C ATOM 343 C GLY A 23 -1.830 -5.800 -6.531 1.00 0.00 C ATOM 344 O GLY A 23 -2.053 -4.603 -6.687 1.00 0.00 O ATOM 0 H GLY A 23 -4.019 -5.143 -5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.590 -7.640 -5.746 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.366 -7.117 -7.227 1.00 0.00 H new ATOM 348 N CYS A 24 -0.612 -6.314 -6.568 1.00 0.00 N ATOM 349 CA CYS A 24 0.564 -5.481 -6.789 1.00 0.00 C ATOM 350 C CYS A 24 1.356 -5.983 -7.995 1.00 0.00 C ATOM 351 O CYS A 24 1.640 -7.178 -8.112 1.00 0.00 O ATOM 352 CB CYS A 24 1.446 -5.447 -5.530 1.00 0.00 C ATOM 353 SG CYS A 24 3.040 -4.622 -5.761 1.00 0.00 S ATOM 0 H CYS A 24 -0.409 -7.306 -6.448 1.00 0.00 H new ATOM 0 HA CYS A 24 0.233 -4.464 -6.999 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.901 -4.943 -4.732 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.624 -6.470 -5.197 1.00 0.00 H new ATOM 0 HG CYS A 24 2.901 -3.635 -6.595 1.00 0.00 H new ATOM 359 N ALA A 25 1.698 -5.065 -8.897 1.00 0.00 N ATOM 360 CA ALA A 25 2.399 -5.414 -10.122 1.00 0.00 C ATOM 361 C ALA A 25 3.201 -4.226 -10.629 1.00 0.00 C ATOM 362 O ALA A 25 2.763 -3.081 -10.493 1.00 0.00 O ATOM 363 CB ALA A 25 1.414 -5.880 -11.186 1.00 0.00 C ATOM 0 H ALA A 25 1.498 -4.070 -8.798 1.00 0.00 H new ATOM 0 HA ALA A 25 3.086 -6.232 -9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.956 -6.137 -12.096 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.876 -6.756 -10.825 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.704 -5.081 -11.400 1.00 0.00 H new ATOM 369 N LYS A 26 4.374 -4.508 -11.193 1.00 0.00 N ATOM 370 CA LYS A 26 5.242 -3.478 -11.771 1.00 0.00 C ATOM 371 C LYS A 26 5.659 -2.443 -10.727 1.00 0.00 C ATOM 372 O LYS A 26 5.906 -1.279 -11.051 1.00 0.00 O ATOM 373 CB LYS A 26 4.545 -2.791 -12.952 1.00 0.00 C ATOM 374 CG LYS A 26 4.402 -3.682 -14.174 1.00 0.00 C ATOM 375 CD LYS A 26 5.757 -3.992 -14.782 1.00 0.00 C ATOM 376 CE LYS A 26 5.640 -4.930 -15.970 1.00 0.00 C ATOM 377 NZ LYS A 26 6.950 -5.147 -16.636 1.00 0.00 N ATOM 0 H LYS A 26 4.751 -5.453 -11.263 1.00 0.00 H new ATOM 0 HA LYS A 26 6.145 -3.971 -12.130 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.556 -2.459 -12.637 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.108 -1.899 -13.227 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.903 -4.610 -13.895 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.771 -3.191 -14.915 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.235 -3.064 -15.097 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.401 -4.442 -14.026 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.238 -5.888 -15.638 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.931 -4.519 -16.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.827 -5.793 -17.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.322 -4.237 -16.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.620 -5.563 -15.958 1.00 0.00 H new ATOM 391 N GLY A 27 5.734 -2.876 -9.472 1.00 0.00 N ATOM 392 CA GLY A 27 6.131 -1.984 -8.403 1.00 0.00 C ATOM 393 C GLY A 27 4.987 -1.114 -7.918 1.00 0.00 C ATOM 394 O GLY A 27 5.165 -0.284 -7.029 1.00 0.00 O ATOM 0 H GLY A 27 5.526 -3.830 -9.178 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.516 -2.570 -7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.946 -1.348 -8.749 1.00 0.00 H new ATOM 398 N LYS A 28 3.812 -1.297 -8.500 1.00 0.00 N ATOM 399 CA LYS A 28 2.644 -0.529 -8.103 1.00 0.00 C ATOM 400 C LYS A 28 1.686 -1.393 -7.315 1.00 0.00 C ATOM 401 O LYS A 28 1.727 -2.619 -7.396 1.00 0.00 O ATOM 402 CB LYS A 28 1.904 0.019 -9.313 1.00 0.00 C ATOM 403 CG LYS A 28 2.762 0.824 -10.258 1.00 0.00 C ATOM 404 CD LYS A 28 1.909 1.426 -11.355 1.00 0.00 C ATOM 405 CE LYS A 28 2.699 2.379 -12.228 1.00 0.00 C ATOM 406 NZ LYS A 28 1.871 2.900 -13.344 1.00 0.00 N ATOM 0 H LYS A 28 3.643 -1.970 -9.248 1.00 0.00 H new ATOM 0 HA LYS A 28 2.999 0.299 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.464 -0.813 -9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.081 0.644 -8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.275 1.615 -9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.532 0.187 -10.694 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.495 0.628 -11.971 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.066 1.955 -10.910 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.064 3.210 -11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.574 1.868 -12.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.439 3.550 -13.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.543 2.108 -13.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.050 3.408 -12.959 1.00 0.00 H new ATOM 420 N ILE A 29 0.810 -0.742 -6.585 1.00 0.00 N ATOM 421 CA ILE A 29 -0.158 -1.418 -5.756 1.00 0.00 C ATOM 422 C ILE A 29 -1.571 -0.995 -6.132 1.00 0.00 C ATOM 423 O ILE A 29 -1.893 0.194 -6.140 1.00 0.00 O ATOM 424 CB ILE A 29 0.104 -1.102 -4.272 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.481 -1.621 -3.866 1.00 0.00 C ATOM 426 CG2 ILE A 29 -0.976 -1.707 -3.393 1.00 0.00 C ATOM 427 CD1 ILE A 29 1.946 -1.117 -2.521 1.00 0.00 C ATOM 0 H ILE A 29 0.749 0.276 -6.550 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.060 -2.492 -5.916 1.00 0.00 H new ATOM 0 HB ILE A 29 0.080 -0.021 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.458 -2.711 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.208 -1.330 -4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.770 -1.471 -2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.946 -1.296 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.988 -2.789 -3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.931 -1.527 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.002 -0.029 -2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.241 -1.431 -1.751 1.00 0.00 H new ATOM 439 N HIS A 30 -2.402 -1.969 -6.471 1.00 0.00 N ATOM 440 CA HIS A 30 -3.801 -1.702 -6.751 1.00 0.00 C ATOM 441 C HIS A 30 -4.589 -1.766 -5.460 1.00 0.00 C ATOM 442 O HIS A 30 -4.504 -2.747 -4.709 1.00 0.00 O ATOM 443 CB HIS A 30 -4.389 -2.693 -7.757 1.00 0.00 C ATOM 444 CG HIS A 30 -3.711 -2.699 -9.094 1.00 0.00 C ATOM 445 ND1 HIS A 30 -4.072 -1.857 -10.125 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.690 -3.451 -9.570 1.00 0.00 C ATOM 447 CE1 HIS A 30 -3.308 -2.093 -11.172 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.460 -3.055 -10.864 1.00 0.00 N ATOM 0 H HIS A 30 -2.131 -2.948 -6.558 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.868 -0.708 -7.192 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.337 -3.696 -7.333 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.445 -2.462 -7.900 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.156 -4.220 -9.031 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.366 -1.584 -12.123 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.750 -3.441 -11.486 1.00 0.00 H new ATOM 457 N LEU A 31 -5.349 -0.727 -5.210 1.00 0.00 N ATOM 458 CA LEU A 31 -6.104 -0.607 -3.982 1.00 0.00 C ATOM 459 C LEU A 31 -7.571 -0.407 -4.276 1.00 0.00 C ATOM 460 O LEU A 31 -7.948 0.187 -5.286 1.00 0.00 O ATOM 461 CB LEU A 31 -5.602 0.572 -3.158 1.00 0.00 C ATOM 462 CG LEU A 31 -4.940 0.232 -1.822 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.912 -0.873 -1.979 1.00 0.00 C ATOM 464 CD2 LEU A 31 -4.287 1.473 -1.237 1.00 0.00 C ATOM 0 H LEU A 31 -5.463 0.059 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.969 -1.530 -3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.887 1.131 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.444 1.237 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.714 -0.125 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.461 -1.090 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.398 -1.770 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.138 -0.553 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.818 1.223 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.531 1.846 -1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.043 2.241 -1.078 1.00 0.00 H new ATOM 476 N HIS A 32 -8.384 -0.911 -3.383 1.00 0.00 N ATOM 477 CA HIS A 32 -9.815 -0.709 -3.439 1.00 0.00 C ATOM 478 C HIS A 32 -10.213 0.193 -2.282 1.00 0.00 C ATOM 479 O HIS A 32 -10.308 -0.250 -1.138 1.00 0.00 O ATOM 480 CB HIS A 32 -10.555 -2.054 -3.387 1.00 0.00 C ATOM 481 CG HIS A 32 -12.053 -1.927 -3.350 1.00 0.00 C ATOM 482 ND1 HIS A 32 -12.820 -2.351 -2.285 1.00 0.00 N ATOM 483 CD2 HIS A 32 -12.927 -1.420 -4.257 1.00 0.00 C ATOM 484 CE1 HIS A 32 -14.094 -2.112 -2.536 1.00 0.00 C ATOM 485 NE2 HIS A 32 -14.185 -1.547 -3.722 1.00 0.00 N ATOM 0 H HIS A 32 -8.074 -1.476 -2.592 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.092 -0.233 -4.380 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.272 -2.646 -4.257 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.225 -2.605 -2.506 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.679 -0.996 -5.219 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.921 -2.341 -1.880 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -15.052 -1.251 -4.171 1.00 0.00 H new ATOM 494 N LYS A 33 -10.404 1.467 -2.588 1.00 0.00 N ATOM 495 CA LYS A 33 -10.651 2.474 -1.571 1.00 0.00 C ATOM 496 C LYS A 33 -12.038 2.316 -0.984 1.00 0.00 C ATOM 497 O LYS A 33 -12.958 1.842 -1.650 1.00 0.00 O ATOM 498 CB LYS A 33 -10.490 3.870 -2.176 1.00 0.00 C ATOM 499 CG LYS A 33 -9.075 4.156 -2.649 1.00 0.00 C ATOM 500 CD LYS A 33 -8.992 5.423 -3.487 1.00 0.00 C ATOM 501 CE LYS A 33 -9.432 6.652 -2.718 1.00 0.00 C ATOM 502 NZ LYS A 33 -9.194 7.902 -3.489 1.00 0.00 N ATOM 0 H LYS A 33 -10.392 1.829 -3.542 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.925 2.344 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.176 3.976 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.776 4.616 -1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.417 4.251 -1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.712 3.311 -3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.967 5.561 -3.832 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.615 5.310 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.492 6.570 -2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.893 6.701 -1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.508 8.720 -2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.179 7.994 -3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.728 7.867 -4.381 1.00 0.00 H new ATOM 516 N ALA A 34 -12.177 2.738 0.268 1.00 0.00 N ATOM 517 CA ALA A 34 -13.456 2.697 0.970 1.00 0.00 C ATOM 518 C ALA A 34 -14.445 3.638 0.303 1.00 0.00 C ATOM 519 O ALA A 34 -15.643 3.621 0.590 1.00 0.00 O ATOM 520 CB ALA A 34 -13.268 3.068 2.434 1.00 0.00 C ATOM 0 H ALA A 34 -11.410 3.117 0.824 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.853 1.683 0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.230 3.033 2.945 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.582 2.362 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.856 4.075 2.504 1.00 0.00 H new ATOM 526 N ASN A 35 -13.911 4.468 -0.582 1.00 0.00 N ATOM 527 CA ASN A 35 -14.706 5.381 -1.388 1.00 0.00 C ATOM 528 C ASN A 35 -15.492 4.601 -2.445 1.00 0.00 C ATOM 529 O ASN A 35 -16.499 5.078 -2.966 1.00 0.00 O ATOM 530 CB ASN A 35 -13.784 6.400 -2.067 1.00 0.00 C ATOM 531 CG ASN A 35 -14.531 7.569 -2.678 1.00 0.00 C ATOM 532 OD1 ASN A 35 -15.561 8.039 -1.995 1.00 0.00 O flip ATOM 533 ND2 ASN A 35 -14.161 8.065 -3.741 1.00 0.00 N flip ATOM 0 H ASN A 35 -12.909 4.526 -0.761 1.00 0.00 H new ATOM 0 HA ASN A 35 -15.411 5.906 -0.744 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.069 6.777 -1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.209 5.898 -2.845 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.361 7.671 -4.236 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.654 8.870 -4.127 1.00 0.00 H new ATOM 540 N GLY A 36 -15.027 3.387 -2.738 1.00 0.00 N ATOM 541 CA GLY A 36 -15.660 2.562 -3.751 1.00 0.00 C ATOM 542 C GLY A 36 -14.865 2.531 -5.040 1.00 0.00 C ATOM 543 O GLY A 36 -15.254 1.886 -6.010 1.00 0.00 O ATOM 0 H GLY A 36 -14.218 2.960 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.774 1.547 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.662 2.941 -3.953 1.00 0.00 H new ATOM 547 N VAL A 37 -13.734 3.225 -5.040 1.00 0.00 N ATOM 548 CA VAL A 37 -12.917 3.360 -6.239 1.00 0.00 C ATOM 549 C VAL A 37 -11.691 2.455 -6.176 1.00 0.00 C ATOM 550 O VAL A 37 -11.085 2.285 -5.116 1.00 0.00 O ATOM 551 CB VAL A 37 -12.451 4.819 -6.432 1.00 0.00 C ATOM 552 CG1 VAL A 37 -11.767 5.002 -7.779 1.00 0.00 C ATOM 553 CG2 VAL A 37 -13.626 5.767 -6.292 1.00 0.00 C ATOM 0 H VAL A 37 -13.361 3.704 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.540 3.064 -7.083 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.722 5.051 -5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.449 6.039 -7.888 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.897 4.348 -7.837 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.464 4.750 -8.578 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.284 6.793 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.377 5.530 -7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.063 5.661 -5.299 1.00 0.00 H new ATOM 563 N LYS A 38 -11.340 1.873 -7.311 1.00 0.00 N ATOM 564 CA LYS A 38 -10.123 1.086 -7.427 1.00 0.00 C ATOM 565 C LYS A 38 -9.016 1.929 -8.040 1.00 0.00 C ATOM 566 O LYS A 38 -9.195 2.536 -9.097 1.00 0.00 O ATOM 567 CB LYS A 38 -10.375 -0.165 -8.269 1.00 0.00 C ATOM 568 CG LYS A 38 -9.121 -0.962 -8.599 1.00 0.00 C ATOM 569 CD LYS A 38 -9.455 -2.209 -9.407 1.00 0.00 C ATOM 570 CE LYS A 38 -10.153 -1.860 -10.713 1.00 0.00 C ATOM 571 NZ LYS A 38 -10.587 -3.072 -11.456 1.00 0.00 N ATOM 0 H LYS A 38 -11.885 1.932 -8.171 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.811 0.770 -6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.073 -0.812 -7.737 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.859 0.130 -9.200 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.427 -0.337 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.616 -1.248 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.540 -2.762 -9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.094 -2.866 -8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.020 -1.234 -10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.479 -1.274 -11.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.058 -2.788 -12.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.757 -3.658 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.250 -3.619 -10.871 1.00 0.00 H new ATOM 585 N ILE A 39 -7.877 1.959 -7.375 1.00 0.00 N ATOM 586 CA ILE A 39 -6.767 2.808 -7.795 1.00 0.00 C ATOM 587 C ILE A 39 -5.479 2.001 -7.932 1.00 0.00 C ATOM 588 O ILE A 39 -5.423 0.838 -7.533 1.00 0.00 O ATOM 589 CB ILE A 39 -6.522 3.966 -6.797 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.118 3.412 -5.425 1.00 0.00 C ATOM 591 CG2 ILE A 39 -7.762 4.844 -6.679 1.00 0.00 C ATOM 592 CD1 ILE A 39 -5.694 4.476 -4.435 1.00 0.00 C ATOM 0 H ILE A 39 -7.691 1.405 -6.539 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.045 3.225 -8.763 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.705 4.581 -7.175 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.957 2.855 -5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.299 2.705 -5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.570 5.652 -5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.004 5.265 -7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.600 4.244 -6.324 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.424 4.006 -3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.835 5.018 -4.830 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.518 5.171 -4.272 1.00 0.00 H new ATOM 604 N ALA A 40 -4.464 2.619 -8.516 1.00 0.00 N ATOM 605 CA ALA A 40 -3.138 2.024 -8.596 1.00 0.00 C ATOM 606 C ALA A 40 -2.083 3.059 -8.242 1.00 0.00 C ATOM 607 O ALA A 40 -1.848 4.000 -8.998 1.00 0.00 O ATOM 608 CB ALA A 40 -2.874 1.465 -9.990 1.00 0.00 C ATOM 0 H ALA A 40 -4.535 3.541 -8.946 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.088 1.201 -7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.877 1.026 -10.023 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.615 0.700 -10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.941 2.269 -10.723 1.00 0.00 H new ATOM 614 N VAL A 41 -1.463 2.894 -7.086 1.00 0.00 N ATOM 615 CA VAL A 41 -0.408 3.793 -6.658 1.00 0.00 C ATOM 616 C VAL A 41 0.924 3.067 -6.691 1.00 0.00 C ATOM 617 O VAL A 41 0.976 1.859 -6.480 1.00 0.00 O ATOM 618 CB VAL A 41 -0.647 4.348 -5.241 1.00 0.00 C ATOM 619 CG1 VAL A 41 -1.957 5.121 -5.167 1.00 0.00 C ATOM 620 CG2 VAL A 41 -0.619 3.235 -4.212 1.00 0.00 C ATOM 0 H VAL A 41 -1.673 2.144 -6.427 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.403 4.637 -7.348 1.00 0.00 H new ATOM 0 HB VAL A 41 0.163 5.041 -5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.099 5.501 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.927 5.956 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.784 4.460 -5.426 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.790 3.652 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.400 2.509 -4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.353 2.742 -4.236 1.00 0.00 H new ATOM 630 N ALA A 42 1.990 3.782 -6.984 1.00 0.00 N ATOM 631 CA ALA A 42 3.312 3.186 -6.959 1.00 0.00 C ATOM 632 C ALA A 42 3.743 2.951 -5.520 1.00 0.00 C ATOM 633 O ALA A 42 3.672 3.858 -4.687 1.00 0.00 O ATOM 634 CB ALA A 42 4.308 4.067 -7.691 1.00 0.00 C ATOM 0 H ALA A 42 1.970 4.769 -7.241 1.00 0.00 H new ATOM 0 HA ALA A 42 3.280 2.225 -7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.294 3.603 -7.662 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.994 4.187 -8.728 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.352 5.044 -7.210 1.00 0.00 H new ATOM 640 N ALA A 43 4.180 1.731 -5.237 1.00 0.00 N ATOM 641 CA ALA A 43 4.500 1.305 -3.872 1.00 0.00 C ATOM 642 C ALA A 43 5.631 2.116 -3.244 1.00 0.00 C ATOM 643 O ALA A 43 5.814 2.094 -2.029 1.00 0.00 O ATOM 644 CB ALA A 43 4.871 -0.168 -3.867 1.00 0.00 C ATOM 0 H ALA A 43 4.324 1.007 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 43 3.608 1.477 -3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.108 -0.480 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.032 -0.756 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.739 -0.327 -4.507 1.00 0.00 H new ATOM 650 N ASP A 44 6.378 2.831 -4.068 1.00 0.00 N ATOM 651 CA ASP A 44 7.574 3.531 -3.600 1.00 0.00 C ATOM 652 C ASP A 44 7.233 4.772 -2.790 1.00 0.00 C ATOM 653 O ASP A 44 8.046 5.241 -1.991 1.00 0.00 O ATOM 654 CB ASP A 44 8.480 3.931 -4.762 1.00 0.00 C ATOM 655 CG ASP A 44 7.889 5.020 -5.633 1.00 0.00 C ATOM 656 OD1 ASP A 44 7.110 4.697 -6.550 1.00 0.00 O ATOM 657 OD2 ASP A 44 8.208 6.208 -5.403 1.00 0.00 O ATOM 0 H ASP A 44 6.183 2.945 -5.063 1.00 0.00 H new ATOM 0 HA ASP A 44 8.101 2.827 -2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.438 4.270 -4.367 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.681 3.053 -5.376 1.00 0.00 H new ATOM 662 N LYS A 45 6.046 5.319 -2.996 1.00 0.00 N ATOM 663 CA LYS A 45 5.647 6.506 -2.261 1.00 0.00 C ATOM 664 C LYS A 45 4.650 6.139 -1.175 1.00 0.00 C ATOM 665 O LYS A 45 3.690 6.854 -0.908 1.00 0.00 O ATOM 666 CB LYS A 45 5.124 7.603 -3.206 1.00 0.00 C ATOM 667 CG LYS A 45 4.163 7.129 -4.287 1.00 0.00 C ATOM 668 CD LYS A 45 2.746 7.007 -3.764 1.00 0.00 C ATOM 669 CE LYS A 45 1.772 6.626 -4.864 1.00 0.00 C ATOM 670 NZ LYS A 45 1.736 7.635 -5.956 1.00 0.00 N ATOM 0 H LYS A 45 5.352 4.966 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 45 6.524 6.927 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.625 8.366 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.977 8.082 -3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.183 7.828 -5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.494 6.164 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.713 6.257 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.440 7.954 -3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.053 5.657 -5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.774 6.515 -4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.896 7.476 -6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.695 8.590 -5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.592 7.546 -6.540 1.00 0.00 H new ATOM 684 N LEU A 46 4.892 4.995 -0.558 1.00 0.00 N ATOM 685 CA LEU A 46 4.086 4.536 0.563 1.00 0.00 C ATOM 686 C LEU A 46 4.913 4.458 1.837 1.00 0.00 C ATOM 687 O LEU A 46 6.142 4.435 1.795 1.00 0.00 O ATOM 688 CB LEU A 46 3.504 3.163 0.262 1.00 0.00 C ATOM 689 CG LEU A 46 2.067 3.140 -0.248 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.882 4.048 -1.455 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.694 1.719 -0.599 1.00 0.00 C ATOM 0 H LEU A 46 5.648 4.361 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 46 3.280 5.255 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.139 2.676 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.555 2.562 1.170 1.00 0.00 H new ATOM 0 HG LEU A 46 1.413 3.515 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.845 4.004 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.131 5.073 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.537 3.719 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.668 1.692 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.365 1.347 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.780 1.091 0.288 1.00 0.00 H new ATOM 703 N SER A 47 4.224 4.424 2.968 1.00 0.00 N ATOM 704 CA SER A 47 4.869 4.272 4.256 1.00 0.00 C ATOM 705 C SER A 47 5.340 2.830 4.439 1.00 0.00 C ATOM 706 O SER A 47 4.671 1.872 4.039 1.00 0.00 O ATOM 707 CB SER A 47 3.903 4.687 5.375 1.00 0.00 C ATOM 708 OG SER A 47 4.481 4.516 6.662 1.00 0.00 O ATOM 0 H SER A 47 3.208 4.501 3.015 1.00 0.00 H new ATOM 0 HA SER A 47 5.744 4.921 4.302 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.618 5.730 5.240 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.990 4.095 5.305 1.00 0.00 H new ATOM 0 HG SER A 47 3.838 4.792 7.349 1.00 0.00 H new ATOM 714 N ASN A 48 6.524 2.709 5.029 1.00 0.00 N ATOM 715 CA ASN A 48 7.188 1.430 5.261 1.00 0.00 C ATOM 716 C ASN A 48 6.251 0.435 5.920 1.00 0.00 C ATOM 717 O ASN A 48 6.337 -0.765 5.673 1.00 0.00 O ATOM 718 CB ASN A 48 8.384 1.628 6.181 1.00 0.00 C ATOM 719 CG ASN A 48 9.411 2.624 5.660 1.00 0.00 C ATOM 720 OD1 ASN A 48 9.106 3.501 4.852 1.00 0.00 O ATOM 721 ND2 ASN A 48 10.640 2.508 6.136 1.00 0.00 N ATOM 0 H ASN A 48 7.059 3.510 5.365 1.00 0.00 H new ATOM 0 HA ASN A 48 7.504 1.044 4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.028 1.965 7.154 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.873 0.666 6.336 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.367 3.157 5.834 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.860 1.770 6.805 1.00 0.00 H new ATOM 728 N GLU A 49 5.376 0.950 6.776 1.00 0.00 N ATOM 729 CA GLU A 49 4.391 0.161 7.459 1.00 0.00 C ATOM 730 C GLU A 49 3.493 -0.536 6.450 1.00 0.00 C ATOM 731 O GLU A 49 3.305 -1.760 6.485 1.00 0.00 O ATOM 732 CB GLU A 49 3.573 1.101 8.326 1.00 0.00 C ATOM 733 CG GLU A 49 4.384 1.830 9.384 1.00 0.00 C ATOM 734 CD GLU A 49 4.872 0.908 10.478 1.00 0.00 C ATOM 735 OE1 GLU A 49 4.095 0.633 11.414 1.00 0.00 O ATOM 736 OE2 GLU A 49 6.034 0.456 10.413 1.00 0.00 O ATOM 0 H GLU A 49 5.341 1.942 7.010 1.00 0.00 H new ATOM 0 HA GLU A 49 4.868 -0.604 8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.085 1.836 7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.784 0.532 8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.240 2.313 8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.775 2.620 9.824 1.00 0.00 H new ATOM 743 N ASP A 50 2.970 0.260 5.530 1.00 0.00 N ATOM 744 CA ASP A 50 2.105 -0.208 4.503 1.00 0.00 C ATOM 745 C ASP A 50 2.814 -1.240 3.642 1.00 0.00 C ATOM 746 O ASP A 50 2.213 -2.247 3.262 1.00 0.00 O ATOM 747 CB ASP A 50 1.667 0.992 3.680 1.00 0.00 C ATOM 748 CG ASP A 50 0.910 2.010 4.513 1.00 0.00 C ATOM 749 OD1 ASP A 50 1.554 2.740 5.299 1.00 0.00 O ATOM 750 OD2 ASP A 50 -0.330 2.074 4.406 1.00 0.00 O ATOM 0 H ASP A 50 3.149 1.263 5.491 1.00 0.00 H new ATOM 0 HA ASP A 50 1.230 -0.697 4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.543 1.466 3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.036 0.656 2.857 1.00 0.00 H new ATOM 755 N LEU A 51 4.111 -1.031 3.370 1.00 0.00 N ATOM 756 CA LEU A 51 4.840 -1.988 2.563 1.00 0.00 C ATOM 757 C LEU A 51 5.050 -3.277 3.334 1.00 0.00 C ATOM 758 O LEU A 51 4.822 -4.350 2.799 1.00 0.00 O ATOM 759 CB LEU A 51 6.188 -1.437 2.080 1.00 0.00 C ATOM 760 CG LEU A 51 6.119 -0.347 1.004 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.813 -0.431 0.228 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.302 1.030 1.611 1.00 0.00 C ATOM 0 H LEU A 51 4.653 -0.229 3.691 1.00 0.00 H new ATOM 0 HA LEU A 51 4.235 -2.188 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.725 -1.037 2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.780 -2.266 1.692 1.00 0.00 H new ATOM 0 HG LEU A 51 6.938 -0.515 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.789 0.353 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.739 -1.405 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.974 -0.301 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.249 1.784 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.515 1.212 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.274 1.085 2.101 1.00 0.00 H new ATOM 774 N ALA A 52 5.428 -3.167 4.606 1.00 0.00 N ATOM 775 CA ALA A 52 5.691 -4.346 5.428 1.00 0.00 C ATOM 776 C ALA A 52 4.452 -5.225 5.505 1.00 0.00 C ATOM 777 O ALA A 52 4.536 -6.450 5.625 1.00 0.00 O ATOM 778 CB ALA A 52 6.137 -3.936 6.822 1.00 0.00 C ATOM 0 H ALA A 52 5.559 -2.278 5.088 1.00 0.00 H new ATOM 0 HA ALA A 52 6.495 -4.918 4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.328 -4.827 7.420 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.049 -3.343 6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.354 -3.343 7.295 1.00 0.00 H new ATOM 784 N TYR A 53 3.303 -4.576 5.422 1.00 0.00 N ATOM 785 CA TYR A 53 2.022 -5.259 5.423 1.00 0.00 C ATOM 786 C TYR A 53 1.765 -5.964 4.086 1.00 0.00 C ATOM 787 O TYR A 53 1.483 -7.168 4.051 1.00 0.00 O ATOM 788 CB TYR A 53 0.943 -4.214 5.723 1.00 0.00 C ATOM 789 CG TYR A 53 -0.481 -4.649 5.467 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.179 -5.423 6.383 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.132 -4.259 4.305 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.489 -5.800 6.145 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.437 -4.625 4.061 1.00 0.00 C ATOM 794 CZ TYR A 53 -3.114 -5.396 4.983 1.00 0.00 C ATOM 795 OH TYR A 53 -4.422 -5.760 4.745 1.00 0.00 O ATOM 0 H TYR A 53 3.233 -3.561 5.352 1.00 0.00 H new ATOM 0 HA TYR A 53 2.010 -6.039 6.185 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.031 -3.918 6.768 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.146 -3.327 5.123 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.693 -5.736 7.295 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.606 -3.657 3.579 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.019 -6.407 6.864 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.928 -4.310 3.152 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.712 -5.393 3.884 1.00 0.00 H new ATOM 805 N VAL A 54 1.923 -5.239 2.985 1.00 0.00 N ATOM 806 CA VAL A 54 1.624 -5.800 1.670 1.00 0.00 C ATOM 807 C VAL A 54 2.644 -6.868 1.274 1.00 0.00 C ATOM 808 O VAL A 54 2.310 -7.815 0.550 1.00 0.00 O ATOM 809 CB VAL A 54 1.511 -4.693 0.602 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.652 -3.732 0.705 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.407 -5.269 -0.804 1.00 0.00 C ATOM 0 H VAL A 54 2.252 -4.274 2.974 1.00 0.00 H new ATOM 0 HA VAL A 54 0.653 -6.291 1.732 1.00 0.00 H new ATOM 0 HB VAL A 54 0.587 -4.148 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.549 -2.961 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.649 -3.268 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.591 -4.265 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.329 -4.456 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.295 -5.863 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.522 -5.902 -0.874 1.00 0.00 H new ATOM 821 N GLU A 55 3.872 -6.736 1.770 1.00 0.00 N ATOM 822 CA GLU A 55 4.862 -7.808 1.659 1.00 0.00 C ATOM 823 C GLU A 55 4.272 -9.111 2.166 1.00 0.00 C ATOM 824 O GLU A 55 4.477 -10.172 1.582 1.00 0.00 O ATOM 825 CB GLU A 55 6.113 -7.515 2.489 1.00 0.00 C ATOM 826 CG GLU A 55 6.827 -6.234 2.129 1.00 0.00 C ATOM 827 CD GLU A 55 8.100 -6.052 2.929 1.00 0.00 C ATOM 828 OE1 GLU A 55 8.010 -5.800 4.147 1.00 0.00 O ATOM 829 OE2 GLU A 55 9.197 -6.170 2.353 1.00 0.00 O ATOM 0 H GLU A 55 4.206 -5.901 2.251 1.00 0.00 H new ATOM 0 HA GLU A 55 5.135 -7.880 0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.832 -7.474 3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.809 -8.346 2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.064 -6.238 1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.164 -5.387 2.305 1.00 0.00 H new ATOM 836 N LYS A 56 3.514 -9.019 3.251 1.00 0.00 N ATOM 837 CA LYS A 56 2.956 -10.181 3.876 1.00 0.00 C ATOM 838 C LYS A 56 1.737 -10.654 3.095 1.00 0.00 C ATOM 839 O LYS A 56 1.451 -11.847 3.038 1.00 0.00 O ATOM 840 CB LYS A 56 2.594 -9.860 5.328 1.00 0.00 C ATOM 841 CG LYS A 56 1.912 -11.004 6.048 1.00 0.00 C ATOM 842 CD LYS A 56 2.897 -12.087 6.490 1.00 0.00 C ATOM 843 CE LYS A 56 3.434 -12.916 5.326 1.00 0.00 C ATOM 844 NZ LYS A 56 2.432 -13.886 4.806 1.00 0.00 N ATOM 0 H LYS A 56 3.278 -8.139 3.709 1.00 0.00 H new ATOM 0 HA LYS A 56 3.690 -10.987 3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.501 -9.590 5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.940 -8.988 5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.386 -10.618 6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.161 -11.446 5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.732 -11.620 7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.405 -12.748 7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.741 -12.249 4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.324 -13.456 5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.923 -14.712 4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.811 -14.193 5.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.861 -13.432 4.065 1.00 0.00 H new ATOM 858 N ILE A 57 1.026 -9.713 2.486 1.00 0.00 N ATOM 859 CA ILE A 57 -0.133 -10.054 1.661 1.00 0.00 C ATOM 860 C ILE A 57 0.291 -10.833 0.413 1.00 0.00 C ATOM 861 O ILE A 57 -0.416 -11.742 -0.032 1.00 0.00 O ATOM 862 CB ILE A 57 -0.915 -8.803 1.191 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.047 -7.771 2.313 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.297 -9.203 0.681 1.00 0.00 C ATOM 865 CD1 ILE A 57 -1.689 -8.300 3.574 1.00 0.00 C ATOM 0 H ILE A 57 1.227 -8.715 2.545 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.778 -10.662 2.295 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.352 -8.345 0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.056 -7.389 2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.633 -6.928 1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.836 -8.314 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.190 -9.891 -0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.853 -9.690 1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.743 -7.504 4.316 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.695 -8.655 3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.093 -9.123 3.968 1.00 0.00 H new ATOM 877 N THR A 58 1.447 -10.487 -0.140 1.00 0.00 N ATOM 878 CA THR A 58 1.845 -11.012 -1.444 1.00 0.00 C ATOM 879 C THR A 58 2.971 -12.038 -1.365 1.00 0.00 C ATOM 880 O THR A 58 2.895 -13.096 -1.993 1.00 0.00 O ATOM 881 CB THR A 58 2.282 -9.874 -2.375 1.00 0.00 C ATOM 882 OG1 THR A 58 3.213 -9.021 -1.697 1.00 0.00 O ATOM 883 CG2 THR A 58 1.086 -9.069 -2.836 1.00 0.00 C ATOM 0 H THR A 58 2.121 -9.852 0.287 1.00 0.00 H new ATOM 0 HA THR A 58 0.963 -11.516 -1.840 1.00 0.00 H new ATOM 0 HB THR A 58 2.763 -10.309 -3.251 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.749 -8.527 -0.990 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.419 -8.267 -3.495 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.396 -9.719 -3.375 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.580 -8.641 -1.971 1.00 0.00 H new ATOM 891 N GLY A 59 4.015 -11.724 -0.617 1.00 0.00 N ATOM 892 CA GLY A 59 5.147 -12.620 -0.519 1.00 0.00 C ATOM 893 C GLY A 59 6.451 -11.946 -0.896 1.00 0.00 C ATOM 894 O GLY A 59 7.506 -12.285 -0.357 1.00 0.00 O ATOM 0 H GLY A 59 4.100 -10.864 -0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.219 -13.000 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.984 -13.480 -1.169 1.00 0.00 H new ATOM 898 N PHE A 60 6.396 -10.991 -1.817 1.00 0.00 N ATOM 899 CA PHE A 60 7.603 -10.291 -2.242 1.00 0.00 C ATOM 900 C PHE A 60 7.884 -9.097 -1.338 1.00 0.00 C ATOM 901 O PHE A 60 6.971 -8.527 -0.740 1.00 0.00 O ATOM 902 CB PHE A 60 7.523 -9.867 -3.716 1.00 0.00 C ATOM 903 CG PHE A 60 6.232 -9.212 -4.131 1.00 0.00 C ATOM 904 CD1 PHE A 60 5.988 -7.877 -3.858 1.00 0.00 C ATOM 905 CD2 PHE A 60 5.272 -9.936 -4.824 1.00 0.00 C ATOM 906 CE1 PHE A 60 4.810 -7.278 -4.259 1.00 0.00 C ATOM 907 CE2 PHE A 60 4.095 -9.340 -5.230 1.00 0.00 C ATOM 908 CZ PHE A 60 3.864 -8.008 -4.949 1.00 0.00 C ATOM 0 H PHE A 60 5.540 -10.686 -2.279 1.00 0.00 H new ATOM 0 HA PHE A 60 8.437 -10.987 -2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.343 -9.179 -3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.680 -10.748 -4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.727 -7.297 -3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.448 -10.978 -5.048 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.629 -6.238 -4.032 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.355 -9.915 -5.767 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.945 -7.539 -5.268 1.00 0.00 H new ATOM 918 N SER A 61 9.155 -8.739 -1.239 1.00 0.00 N ATOM 919 CA SER A 61 9.597 -7.732 -0.290 1.00 0.00 C ATOM 920 C SER A 61 9.607 -6.349 -0.936 1.00 0.00 C ATOM 921 O SER A 61 9.989 -6.194 -2.098 1.00 0.00 O ATOM 922 CB SER A 61 10.992 -8.093 0.223 1.00 0.00 C ATOM 923 OG SER A 61 11.326 -7.369 1.397 1.00 0.00 O ATOM 0 H SER A 61 9.902 -9.135 -1.809 1.00 0.00 H new ATOM 0 HA SER A 61 8.902 -7.706 0.549 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.038 -9.162 0.430 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.729 -7.887 -0.553 1.00 0.00 H new ATOM 0 HG SER A 61 10.510 -7.167 1.900 1.00 0.00 H new ATOM 929 N LEU A 62 9.199 -5.346 -0.169 1.00 0.00 N ATOM 930 CA LEU A 62 9.103 -3.987 -0.677 1.00 0.00 C ATOM 931 C LEU A 62 10.075 -3.069 0.046 1.00 0.00 C ATOM 932 O LEU A 62 9.811 -1.881 0.220 1.00 0.00 O ATOM 933 CB LEU A 62 7.669 -3.455 -0.548 1.00 0.00 C ATOM 934 CG LEU A 62 6.597 -4.329 -1.214 1.00 0.00 C ATOM 935 CD1 LEU A 62 5.256 -3.626 -1.208 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.995 -4.694 -2.638 1.00 0.00 C ATOM 0 H LEU A 62 8.929 -5.450 0.809 1.00 0.00 H new ATOM 0 HA LEU A 62 9.369 -4.005 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.428 -3.352 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.626 -2.457 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 62 6.511 -5.250 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.510 -4.262 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.956 -3.423 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.335 -2.687 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.218 -5.313 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.118 -3.784 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.935 -5.246 -2.623 1.00 0.00 H new ATOM 948 N GLU A 63 11.202 -3.637 0.461 1.00 0.00 N ATOM 949 CA GLU A 63 12.283 -2.893 1.059 1.00 0.00 C ATOM 950 C GLU A 63 12.698 -1.732 0.162 1.00 0.00 C ATOM 951 O GLU A 63 12.945 -0.626 0.634 1.00 0.00 O ATOM 952 CB GLU A 63 13.456 -3.840 1.248 1.00 0.00 C ATOM 953 CG GLU A 63 13.169 -5.029 2.151 1.00 0.00 C ATOM 954 CD GLU A 63 13.025 -4.645 3.606 1.00 0.00 C ATOM 955 OE1 GLU A 63 14.060 -4.488 4.285 1.00 0.00 O ATOM 956 OE2 GLU A 63 11.881 -4.514 4.081 1.00 0.00 O ATOM 0 H GLU A 63 11.384 -4.638 0.387 1.00 0.00 H new ATOM 0 HA GLU A 63 11.962 -2.482 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.769 -4.209 0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.295 -3.280 1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.254 -5.518 1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.974 -5.757 2.051 1.00 0.00 H new ATOM 963 N LYS A 64 12.735 -2.003 -1.138 1.00 0.00 N ATOM 964 CA LYS A 64 13.128 -1.022 -2.149 1.00 0.00 C ATOM 965 C LYS A 64 12.173 0.171 -2.190 1.00 0.00 C ATOM 966 O LYS A 64 12.478 1.205 -2.784 1.00 0.00 O ATOM 967 CB LYS A 64 13.150 -1.696 -3.520 1.00 0.00 C ATOM 968 CG LYS A 64 11.808 -2.299 -3.906 1.00 0.00 C ATOM 969 CD LYS A 64 11.854 -2.991 -5.259 1.00 0.00 C ATOM 970 CE LYS A 64 12.808 -4.175 -5.261 1.00 0.00 C ATOM 971 NZ LYS A 64 12.699 -4.961 -6.518 1.00 0.00 N ATOM 0 H LYS A 64 12.492 -2.915 -1.525 1.00 0.00 H new ATOM 0 HA LYS A 64 14.118 -0.649 -1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.444 -0.965 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.908 -2.479 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.502 -3.016 -3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.052 -1.514 -3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.854 -3.331 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.162 -2.276 -6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.831 -3.819 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.592 -4.819 -4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.363 -5.761 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.728 -5.321 -6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.929 -4.352 -7.329 1.00 0.00 H new ATOM 985 N PHE A 65 11.011 0.015 -1.576 1.00 0.00 N ATOM 986 CA PHE A 65 10.000 1.059 -1.587 1.00 0.00 C ATOM 987 C PHE A 65 9.909 1.729 -0.223 1.00 0.00 C ATOM 988 O PHE A 65 9.223 2.736 -0.051 1.00 0.00 O ATOM 989 CB PHE A 65 8.643 0.476 -1.983 1.00 0.00 C ATOM 990 CG PHE A 65 8.630 -0.154 -3.350 1.00 0.00 C ATOM 991 CD1 PHE A 65 9.026 0.567 -4.464 1.00 0.00 C ATOM 992 CD2 PHE A 65 8.232 -1.470 -3.517 1.00 0.00 C ATOM 993 CE1 PHE A 65 9.014 -0.006 -5.721 1.00 0.00 C ATOM 994 CE2 PHE A 65 8.217 -2.050 -4.773 1.00 0.00 C ATOM 995 CZ PHE A 65 8.613 -1.317 -5.875 1.00 0.00 C ATOM 0 H PHE A 65 10.745 -0.826 -1.063 1.00 0.00 H new ATOM 0 HA PHE A 65 10.287 1.811 -2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.350 -0.271 -1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.894 1.267 -1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.349 1.591 -4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.930 -2.050 -2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.318 0.571 -6.582 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.896 -3.074 -4.892 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.609 -1.770 -6.856 1.00 0.00 H new ATOM 1005 N LYS A 66 10.621 1.170 0.742 1.00 0.00 N ATOM 1006 CA LYS A 66 10.621 1.704 2.094 1.00 0.00 C ATOM 1007 C LYS A 66 11.671 2.795 2.228 1.00 0.00 C ATOM 1008 O LYS A 66 12.700 2.767 1.553 1.00 0.00 O ATOM 1009 CB LYS A 66 10.892 0.595 3.112 1.00 0.00 C ATOM 1010 CG LYS A 66 9.821 -0.481 3.149 1.00 0.00 C ATOM 1011 CD LYS A 66 10.176 -1.577 4.139 1.00 0.00 C ATOM 1012 CE LYS A 66 9.147 -2.694 4.125 1.00 0.00 C ATOM 1013 NZ LYS A 66 9.535 -3.818 5.015 1.00 0.00 N ATOM 0 H LYS A 66 11.207 0.345 0.614 1.00 0.00 H new ATOM 0 HA LYS A 66 9.637 2.129 2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.851 0.131 2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.981 1.039 4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.864 -0.036 3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.700 -0.911 2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.158 -1.983 3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.243 -1.155 5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.180 -2.300 4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.026 -3.063 3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.923 -4.637 4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.526 -4.078 4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.429 -3.527 6.008 1.00 0.00 H new ATOM 1027 N ALA A 67 11.411 3.754 3.101 1.00 0.00 N ATOM 1028 CA ALA A 67 12.341 4.846 3.324 1.00 0.00 C ATOM 1029 C ALA A 67 13.048 4.685 4.663 1.00 0.00 C ATOM 1030 O ALA A 67 12.411 4.743 5.714 1.00 0.00 O ATOM 1031 CB ALA A 67 11.614 6.181 3.258 1.00 0.00 C ATOM 0 H ALA A 67 10.563 3.798 3.666 1.00 0.00 H new ATOM 0 HA ALA A 67 13.095 4.824 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.324 6.991 3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.157 6.298 2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.839 6.212 4.024 1.00 0.00 H new ATOM 1037 N ASN A 68 14.359 4.454 4.603 1.00 0.00 N ATOM 1038 CA ASN A 68 15.199 4.327 5.796 1.00 0.00 C ATOM 1039 C ASN A 68 14.813 3.094 6.610 1.00 0.00 C ATOM 1040 O ASN A 68 13.984 3.213 7.539 1.00 0.00 O ATOM 1041 CB ASN A 68 15.114 5.589 6.660 1.00 0.00 C ATOM 1042 CG ASN A 68 16.020 5.525 7.876 1.00 0.00 C ATOM 1043 OD1 ASN A 68 17.086 4.907 7.847 1.00 0.00 O ATOM 1044 ND2 ASN A 68 15.601 6.166 8.954 1.00 0.00 N ATOM 1045 OXT ASN A 68 15.343 2.004 6.310 1.00 0.00 O ATOM 0 H ASN A 68 14.870 4.349 3.726 1.00 0.00 H new ATOM 0 HA ASN A 68 16.231 4.206 5.465 1.00 0.00 H new ATOM 0 HB2 ASN A 68 15.382 6.457 6.057 1.00 0.00 H new ATOM 0 HB3 ASN A 68 14.084 5.733 6.986 1.00 0.00 H new ATOM 0 HD21 ASN A 68 16.167 6.161 9.803 1.00 0.00 H new ATOM 0 HD22 ASN A 68 14.712 6.666 8.937 1.00 0.00 H new TER 1052 ASN A 68