USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=14 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+ 175:sc= 0 (180deg=-0.0392) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0578 USER MOD Single : A 12 SER OG : rot -34:sc= 0.284 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0571 USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.0843 (180deg=-0.524) USER MOD Single : A 24 CYS SG : rot 41:sc= 0.817 USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= -0.019 (180deg=-0.246) USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.198) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 32 HIS : no HD1:sc= -0.284 K(o=-0.28,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.697 K(o=-0.7,f=-3.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= -0.0186 (180deg=-0.217) USER MOD Single : A 47 SER OG : rot 180:sc= -0.114 USER MOD Single : A 48 ASN : amide:sc= -1.05 K(o=-1,f=-3.3!) USER MOD Single : A 53 TYR OH : rot 30:sc= -0.0523 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -81:sc= 1.49 USER MOD Single : A 61 SER OG : rot 43:sc= 1.14 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -142:sc= 2.37 (180deg=2.17) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 3 -10.067 -5.970 9.066 1.00 0.00 N ATOM 2 CA LYS A 3 -9.719 -6.756 7.895 1.00 0.00 C ATOM 3 C LYS A 3 -10.477 -6.220 6.686 1.00 0.00 C ATOM 4 O LYS A 3 -10.529 -6.851 5.627 1.00 0.00 O ATOM 5 CB LYS A 3 -10.024 -8.242 8.123 1.00 0.00 C ATOM 6 CG LYS A 3 -11.434 -8.515 8.625 1.00 0.00 C ATOM 7 CD LYS A 3 -11.636 -9.988 8.934 1.00 0.00 C ATOM 8 CE LYS A 3 -12.981 -10.239 9.601 1.00 0.00 C ATOM 9 NZ LYS A 3 -14.126 -9.853 8.734 1.00 0.00 N ATOM 0 HA LYS A 3 -8.648 -6.669 7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.872 -8.781 7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.310 -8.643 8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.624 -7.924 9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -12.157 -8.197 7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.572 -10.566 8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.835 -10.337 9.585 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.064 -11.295 9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.031 -9.678 10.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.018 -10.121 9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.112 -8.825 8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.050 -10.343 7.820 1.00 0.00 H new ATOM 23 N LYS A 4 -11.059 -5.040 6.865 1.00 0.00 N ATOM 24 CA LYS A 4 -11.783 -4.356 5.802 1.00 0.00 C ATOM 25 C LYS A 4 -10.847 -3.418 5.064 1.00 0.00 C ATOM 26 O LYS A 4 -9.623 -3.548 5.147 1.00 0.00 O ATOM 27 CB LYS A 4 -12.944 -3.545 6.385 1.00 0.00 C ATOM 28 CG LYS A 4 -13.876 -4.341 7.283 1.00 0.00 C ATOM 29 CD LYS A 4 -14.920 -3.444 7.929 1.00 0.00 C ATOM 30 CE LYS A 4 -14.275 -2.340 8.753 1.00 0.00 C ATOM 31 NZ LYS A 4 -15.284 -1.455 9.390 1.00 0.00 N ATOM 0 H LYS A 4 -11.042 -4.532 7.749 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.176 -5.104 5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.538 -2.709 6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.523 -3.121 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.371 -5.117 6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.297 -4.844 8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.549 -3.002 7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.571 -4.042 8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.645 -2.784 9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.624 -1.745 8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.800 -0.718 9.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.869 -1.010 8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.890 -2.017 10.021 1.00 0.00 H new ATOM 45 N SER A 5 -11.423 -2.483 4.338 1.00 0.00 N ATOM 46 CA SER A 5 -10.657 -1.440 3.693 1.00 0.00 C ATOM 47 C SER A 5 -9.961 -0.592 4.751 1.00 0.00 C ATOM 48 O SER A 5 -10.604 -0.004 5.617 1.00 0.00 O ATOM 49 CB SER A 5 -11.582 -0.617 2.805 1.00 0.00 C ATOM 50 OG SER A 5 -12.867 -0.491 3.390 1.00 0.00 O ATOM 0 H SER A 5 -12.429 -2.425 4.180 1.00 0.00 H new ATOM 0 HA SER A 5 -9.882 -1.868 3.058 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.153 0.372 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.668 -1.090 1.827 1.00 0.00 H new ATOM 0 HG SER A 5 -13.443 0.042 2.803 1.00 0.00 H new ATOM 56 N ARG A 6 -8.644 -0.561 4.683 1.00 0.00 N ATOM 57 CA ARG A 6 -7.838 -0.024 5.766 1.00 0.00 C ATOM 58 C ARG A 6 -7.140 1.257 5.348 1.00 0.00 C ATOM 59 O ARG A 6 -7.178 1.640 4.183 1.00 0.00 O ATOM 60 CB ARG A 6 -6.824 -1.081 6.199 1.00 0.00 C ATOM 61 CG ARG A 6 -5.858 -1.488 5.102 1.00 0.00 C ATOM 62 CD ARG A 6 -5.605 -2.989 5.112 1.00 0.00 C ATOM 63 NE ARG A 6 -6.822 -3.757 4.820 1.00 0.00 N ATOM 64 CZ ARG A 6 -6.834 -5.052 4.486 1.00 0.00 C ATOM 65 NH1 ARG A 6 -5.708 -5.752 4.463 1.00 0.00 N ATOM 66 NH2 ARG A 6 -7.985 -5.655 4.211 1.00 0.00 N ATOM 0 H ARG A 6 -8.106 -0.903 3.886 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.487 0.224 6.606 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.256 -0.700 7.048 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.360 -1.965 6.545 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.260 -1.192 4.133 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.914 -0.958 5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.839 -3.232 4.376 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.216 -3.284 6.087 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.717 -3.271 4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.824 -5.303 4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.726 -6.739 4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.859 -5.130 4.255 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.995 -6.643 3.956 1.00 0.00 H new ATOM 80 N LEU A 7 -6.490 1.895 6.308 1.00 0.00 N ATOM 81 CA LEU A 7 -5.900 3.210 6.108 1.00 0.00 C ATOM 82 C LEU A 7 -4.499 3.083 5.514 1.00 0.00 C ATOM 83 O LEU A 7 -3.597 2.539 6.148 1.00 0.00 O ATOM 84 CB LEU A 7 -5.860 3.953 7.454 1.00 0.00 C ATOM 85 CG LEU A 7 -5.829 5.489 7.391 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.511 5.999 6.834 1.00 0.00 C ATOM 87 CD2 LEU A 7 -6.996 6.014 6.568 1.00 0.00 C ATOM 0 H LEU A 7 -6.356 1.517 7.246 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.507 3.779 5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.732 3.653 8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.981 3.617 8.003 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.924 5.863 8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.526 7.088 6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.693 5.664 7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.367 5.611 5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.957 7.103 6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.934 5.618 5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.934 5.698 7.024 1.00 0.00 H new ATOM 99 N TRP A 8 -4.343 3.569 4.289 1.00 0.00 N ATOM 100 CA TRP A 8 -3.051 3.585 3.609 1.00 0.00 C ATOM 101 C TRP A 8 -2.487 4.999 3.585 1.00 0.00 C ATOM 102 O TRP A 8 -3.243 5.966 3.492 1.00 0.00 O ATOM 103 CB TRP A 8 -3.198 3.071 2.177 1.00 0.00 C ATOM 104 CG TRP A 8 -3.652 1.649 2.100 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.933 1.191 2.170 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.824 0.501 1.934 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.951 -0.177 2.065 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.666 -0.625 1.915 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.447 0.319 1.800 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -3.174 -1.918 1.770 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.959 -0.961 1.652 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.819 -2.066 1.637 1.00 0.00 C ATOM 0 H TRP A 8 -5.106 3.963 3.738 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.367 2.934 4.154 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.910 3.701 1.644 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.241 3.167 1.664 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.807 1.814 2.291 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.785 -0.764 2.094 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.776 1.165 1.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.835 -2.772 1.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.105 -1.115 1.546 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.405 -3.056 1.518 1.00 0.00 H new ATOM 123 N VAL A 9 -1.166 5.114 3.668 1.00 0.00 N ATOM 124 CA VAL A 9 -0.501 6.417 3.699 1.00 0.00 C ATOM 125 C VAL A 9 0.726 6.419 2.789 1.00 0.00 C ATOM 126 O VAL A 9 1.484 5.448 2.764 1.00 0.00 O ATOM 127 CB VAL A 9 -0.043 6.779 5.136 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.654 8.128 5.167 1.00 0.00 C ATOM 129 CG2 VAL A 9 -1.214 6.772 6.099 1.00 0.00 C ATOM 0 H VAL A 9 -0.530 4.318 3.715 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.225 7.154 3.351 1.00 0.00 H new ATOM 0 HB VAL A 9 0.670 6.018 5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.963 8.354 6.187 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.531 8.100 4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.031 8.900 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.864 7.029 7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.956 7.502 5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.665 5.780 6.116 1.00 0.00 H new ATOM 139 N ASP A 10 0.931 7.502 2.042 1.00 0.00 N ATOM 140 CA ASP A 10 2.175 7.655 1.284 1.00 0.00 C ATOM 141 C ASP A 10 3.247 8.253 2.185 1.00 0.00 C ATOM 142 O ASP A 10 2.942 8.889 3.196 1.00 0.00 O ATOM 143 CB ASP A 10 1.992 8.545 0.058 1.00 0.00 C ATOM 144 CG ASP A 10 1.808 9.992 0.434 1.00 0.00 C ATOM 145 OD1 ASP A 10 0.771 10.308 1.027 1.00 0.00 O ATOM 146 OD2 ASP A 10 2.706 10.814 0.152 1.00 0.00 O ATOM 0 H ASP A 10 0.269 8.272 1.945 1.00 0.00 H new ATOM 0 HA ASP A 10 2.476 6.666 0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.860 8.447 -0.594 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.126 8.205 -0.511 1.00 0.00 H new ATOM 151 N ARG A 11 4.502 8.074 1.801 1.00 0.00 N ATOM 152 CA ARG A 11 5.626 8.386 2.673 1.00 0.00 C ATOM 153 C ARG A 11 5.891 9.883 2.748 1.00 0.00 C ATOM 154 O ARG A 11 6.794 10.332 3.450 1.00 0.00 O ATOM 155 CB ARG A 11 6.851 7.667 2.159 1.00 0.00 C ATOM 156 CG ARG A 11 7.929 7.467 3.202 1.00 0.00 C ATOM 157 CD ARG A 11 8.954 6.483 2.699 1.00 0.00 C ATOM 158 NE ARG A 11 9.460 6.875 1.388 1.00 0.00 N ATOM 159 CZ ARG A 11 9.556 6.056 0.346 1.00 0.00 C ATOM 160 NH1 ARG A 11 9.203 4.780 0.457 1.00 0.00 N ATOM 161 NH2 ARG A 11 9.997 6.524 -0.814 1.00 0.00 N ATOM 0 H ARG A 11 4.769 7.712 0.886 1.00 0.00 H new ATOM 0 HA ARG A 11 5.384 8.053 3.682 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.552 6.694 1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.267 8.231 1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.408 8.419 3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.487 7.103 4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.780 6.420 3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.510 5.489 2.638 1.00 0.00 H new ATOM 0 HE ARG A 11 9.760 7.842 1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.855 4.423 1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.280 4.158 -0.348 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.259 7.506 -0.901 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.074 5.902 -1.619 1.00 0.00 H new ATOM 175 N SER A 12 5.117 10.649 2.005 1.00 0.00 N ATOM 176 CA SER A 12 5.233 12.095 2.038 1.00 0.00 C ATOM 177 C SER A 12 4.069 12.706 2.815 1.00 0.00 C ATOM 178 O SER A 12 4.014 13.920 3.021 1.00 0.00 O ATOM 179 CB SER A 12 5.283 12.664 0.617 1.00 0.00 C ATOM 180 OG SER A 12 5.596 14.049 0.624 1.00 0.00 O ATOM 0 H SER A 12 4.401 10.295 1.371 1.00 0.00 H new ATOM 0 HA SER A 12 6.163 12.353 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.028 12.124 0.033 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.321 12.509 0.127 1.00 0.00 H new ATOM 0 HG SER A 12 5.198 14.470 1.414 1.00 0.00 H new ATOM 186 N GLY A 13 3.142 11.854 3.249 1.00 0.00 N ATOM 187 CA GLY A 13 1.991 12.316 4.005 1.00 0.00 C ATOM 188 C GLY A 13 1.028 13.120 3.157 1.00 0.00 C ATOM 189 O GLY A 13 0.337 14.009 3.658 1.00 0.00 O ATOM 0 H GLY A 13 3.169 10.847 3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.469 11.458 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.331 12.926 4.842 1.00 0.00 H new ATOM 193 N THR A 14 0.968 12.783 1.880 1.00 0.00 N ATOM 194 CA THR A 14 0.144 13.501 0.927 1.00 0.00 C ATOM 195 C THR A 14 -1.288 12.976 0.948 1.00 0.00 C ATOM 196 O THR A 14 -2.249 13.754 0.926 1.00 0.00 O ATOM 197 CB THR A 14 0.700 13.351 -0.500 1.00 0.00 C ATOM 198 OG1 THR A 14 2.127 13.509 -0.494 1.00 0.00 O ATOM 199 CG2 THR A 14 0.075 14.375 -1.435 1.00 0.00 C ATOM 0 H THR A 14 1.489 12.005 1.476 1.00 0.00 H new ATOM 0 HA THR A 14 0.154 14.552 1.215 1.00 0.00 H new ATOM 0 HB THR A 14 0.449 12.353 -0.859 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.471 13.410 -1.406 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.484 14.249 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.005 14.231 -1.463 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.298 15.380 -1.076 1.00 0.00 H new ATOM 207 N PHE A 15 -1.430 11.656 0.998 1.00 0.00 N ATOM 208 CA PHE A 15 -2.741 11.036 0.957 1.00 0.00 C ATOM 209 C PHE A 15 -2.870 9.874 1.927 1.00 0.00 C ATOM 210 O PHE A 15 -1.965 9.054 2.083 1.00 0.00 O ATOM 211 CB PHE A 15 -3.107 10.589 -0.469 1.00 0.00 C ATOM 212 CG PHE A 15 -2.053 9.784 -1.188 1.00 0.00 C ATOM 213 CD1 PHE A 15 -1.928 8.413 -0.989 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.199 10.403 -2.087 1.00 0.00 C ATOM 215 CE1 PHE A 15 -0.976 7.685 -1.673 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.242 9.677 -2.769 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.130 8.317 -2.562 1.00 0.00 C ATOM 0 H PHE A 15 -0.653 10.999 1.067 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.449 11.802 1.274 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.022 9.998 -0.422 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.330 11.475 -1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.583 7.913 -0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.283 11.466 -2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.893 6.620 -1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.419 10.174 -3.464 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.618 7.748 -3.095 1.00 0.00 H new ATOM 227 N LYS A 16 -4.006 9.845 2.599 1.00 0.00 N ATOM 228 CA LYS A 16 -4.390 8.729 3.433 1.00 0.00 C ATOM 229 C LYS A 16 -5.764 8.261 2.995 1.00 0.00 C ATOM 230 O LYS A 16 -6.682 9.068 2.845 1.00 0.00 O ATOM 231 CB LYS A 16 -4.428 9.132 4.908 1.00 0.00 C ATOM 232 CG LYS A 16 -3.132 9.739 5.420 1.00 0.00 C ATOM 233 CD LYS A 16 -3.266 10.190 6.866 1.00 0.00 C ATOM 234 CE LYS A 16 -2.010 10.898 7.349 1.00 0.00 C ATOM 235 NZ LYS A 16 -1.651 12.047 6.477 1.00 0.00 N ATOM 0 H LYS A 16 -4.690 10.601 2.579 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.658 7.929 3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.236 9.849 5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.667 8.253 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.328 9.007 5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.855 10.589 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.121 10.859 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.465 9.326 7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.161 11.250 8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.182 10.190 7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.984 12.668 6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.208 11.695 5.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.510 12.583 6.238 1.00 0.00 H new ATOM 249 N VAL A 17 -5.910 6.969 2.787 1.00 0.00 N ATOM 250 CA VAL A 17 -7.151 6.431 2.249 1.00 0.00 C ATOM 251 C VAL A 17 -7.557 5.147 2.928 1.00 0.00 C ATOM 252 O VAL A 17 -6.732 4.452 3.508 1.00 0.00 O ATOM 253 CB VAL A 17 -7.057 6.167 0.733 1.00 0.00 C ATOM 254 CG1 VAL A 17 -7.368 7.429 -0.041 1.00 0.00 C ATOM 255 CG2 VAL A 17 -5.688 5.622 0.353 1.00 0.00 C ATOM 0 H VAL A 17 -5.191 6.271 2.980 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.905 7.195 2.440 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.797 5.410 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.298 7.227 -1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.377 7.764 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.654 8.207 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.652 5.446 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.920 6.344 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.510 4.685 0.880 1.00 0.00 H new ATOM 265 N ASP A 18 -8.838 4.846 2.839 1.00 0.00 N ATOM 266 CA ASP A 18 -9.357 3.573 3.313 1.00 0.00 C ATOM 267 C ASP A 18 -9.623 2.690 2.119 1.00 0.00 C ATOM 268 O ASP A 18 -10.504 2.970 1.300 1.00 0.00 O ATOM 269 CB ASP A 18 -10.645 3.729 4.118 1.00 0.00 C ATOM 270 CG ASP A 18 -10.491 4.579 5.369 1.00 0.00 C ATOM 271 OD1 ASP A 18 -9.903 4.091 6.358 1.00 0.00 O ATOM 272 OD2 ASP A 18 -10.984 5.731 5.382 1.00 0.00 O ATOM 0 H ASP A 18 -9.543 5.467 2.441 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.612 3.132 3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.409 4.174 3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.005 2.741 4.404 1.00 0.00 H new ATOM 277 N ALA A 19 -8.860 1.631 2.023 1.00 0.00 N ATOM 278 CA ALA A 19 -8.884 0.783 0.849 1.00 0.00 C ATOM 279 C ALA A 19 -8.331 -0.593 1.163 1.00 0.00 C ATOM 280 O ALA A 19 -7.615 -0.781 2.148 1.00 0.00 O ATOM 281 CB ALA A 19 -8.078 1.427 -0.269 1.00 0.00 C ATOM 0 H ALA A 19 -8.208 1.330 2.748 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.919 0.668 0.528 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.099 0.785 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.510 2.397 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.047 1.561 0.057 1.00 0.00 H new ATOM 287 N GLU A 20 -8.688 -1.559 0.345 1.00 0.00 N ATOM 288 CA GLU A 20 -8.137 -2.891 0.471 1.00 0.00 C ATOM 289 C GLU A 20 -7.153 -3.155 -0.641 1.00 0.00 C ATOM 290 O GLU A 20 -7.381 -2.777 -1.790 1.00 0.00 O ATOM 291 CB GLU A 20 -9.232 -3.945 0.442 1.00 0.00 C ATOM 292 CG GLU A 20 -10.123 -3.907 1.661 1.00 0.00 C ATOM 293 CD GLU A 20 -11.161 -5.002 1.661 1.00 0.00 C ATOM 294 OE1 GLU A 20 -10.801 -6.161 1.934 1.00 0.00 O ATOM 295 OE2 GLU A 20 -12.341 -4.704 1.392 1.00 0.00 O ATOM 0 H GLU A 20 -9.358 -1.447 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.626 -2.950 1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.841 -3.803 -0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.776 -4.932 0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.509 -3.995 2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.622 -2.939 1.710 1.00 0.00 H new ATOM 302 N PHE A 21 -6.056 -3.789 -0.285 1.00 0.00 N ATOM 303 CA PHE A 21 -5.064 -4.191 -1.265 1.00 0.00 C ATOM 304 C PHE A 21 -5.609 -5.342 -2.081 1.00 0.00 C ATOM 305 O PHE A 21 -6.031 -6.363 -1.533 1.00 0.00 O ATOM 306 CB PHE A 21 -3.746 -4.580 -0.584 1.00 0.00 C ATOM 307 CG PHE A 21 -2.799 -5.355 -1.472 1.00 0.00 C ATOM 308 CD1 PHE A 21 -2.888 -6.737 -1.571 1.00 0.00 C ATOM 309 CD2 PHE A 21 -1.823 -4.706 -2.210 1.00 0.00 C ATOM 310 CE1 PHE A 21 -2.032 -7.447 -2.386 1.00 0.00 C ATOM 311 CE2 PHE A 21 -0.964 -5.413 -3.026 1.00 0.00 C ATOM 312 CZ PHE A 21 -1.069 -6.784 -3.114 1.00 0.00 C ATOM 0 H PHE A 21 -5.826 -4.038 0.677 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.854 -3.350 -1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.246 -3.675 -0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.969 -5.177 0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.639 -7.264 -1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.733 -3.632 -2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.117 -8.522 -2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.209 -4.892 -3.596 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.397 -7.338 -3.753 1.00 0.00 H new ATOM 322 N ILE A 22 -5.625 -5.163 -3.383 1.00 0.00 N ATOM 323 CA ILE A 22 -6.164 -6.168 -4.272 1.00 0.00 C ATOM 324 C ILE A 22 -5.036 -6.884 -4.996 1.00 0.00 C ATOM 325 O ILE A 22 -5.045 -8.109 -5.128 1.00 0.00 O ATOM 326 CB ILE A 22 -7.114 -5.546 -5.317 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.532 -4.131 -4.909 1.00 0.00 C ATOM 328 CG2 ILE A 22 -8.350 -6.414 -5.482 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.331 -3.410 -5.971 1.00 0.00 C ATOM 0 H ILE A 22 -5.270 -4.329 -3.851 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.728 -6.876 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.579 -5.489 -6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.123 -4.184 -3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.640 -3.549 -4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.013 -5.966 -6.222 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.054 -7.409 -5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.870 -6.491 -4.527 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.594 -2.414 -5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.735 -3.325 -6.880 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.241 -3.970 -6.185 1.00 0.00 H new ATOM 341 N GLY A 23 -4.066 -6.105 -5.452 1.00 0.00 N ATOM 342 CA GLY A 23 -2.927 -6.653 -6.152 1.00 0.00 C ATOM 343 C GLY A 23 -1.870 -5.602 -6.398 1.00 0.00 C ATOM 344 O GLY A 23 -2.181 -4.419 -6.507 1.00 0.00 O ATOM 0 H GLY A 23 -4.050 -5.091 -5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.500 -7.471 -5.571 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.252 -7.074 -7.104 1.00 0.00 H new ATOM 348 N CYS A 24 -0.625 -6.026 -6.461 1.00 0.00 N ATOM 349 CA CYS A 24 0.485 -5.127 -6.714 1.00 0.00 C ATOM 350 C CYS A 24 1.133 -5.476 -8.051 1.00 0.00 C ATOM 351 O CYS A 24 1.321 -6.652 -8.364 1.00 0.00 O ATOM 352 CB CYS A 24 1.494 -5.208 -5.559 1.00 0.00 C ATOM 353 SG CYS A 24 3.108 -4.472 -5.910 1.00 0.00 S ATOM 0 H CYS A 24 -0.353 -7.001 -6.339 1.00 0.00 H new ATOM 0 HA CYS A 24 0.124 -4.100 -6.771 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.067 -4.714 -4.687 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.638 -6.255 -5.293 1.00 0.00 H new ATOM 0 HG CYS A 24 2.945 -3.363 -6.568 1.00 0.00 H new ATOM 359 N ALA A 25 1.459 -4.461 -8.845 1.00 0.00 N ATOM 360 CA ALA A 25 1.960 -4.685 -10.189 1.00 0.00 C ATOM 361 C ALA A 25 3.068 -3.703 -10.525 1.00 0.00 C ATOM 362 O ALA A 25 2.863 -2.488 -10.486 1.00 0.00 O ATOM 363 CB ALA A 25 0.832 -4.571 -11.203 1.00 0.00 C ATOM 0 H ALA A 25 1.384 -3.479 -8.578 1.00 0.00 H new ATOM 0 HA ALA A 25 2.371 -5.694 -10.233 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.225 -4.742 -12.205 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.067 -5.315 -10.982 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.394 -3.574 -11.150 1.00 0.00 H new ATOM 369 N LYS A 26 4.243 -4.245 -10.821 1.00 0.00 N ATOM 370 CA LYS A 26 5.393 -3.466 -11.271 1.00 0.00 C ATOM 371 C LYS A 26 5.741 -2.360 -10.272 1.00 0.00 C ATOM 372 O LYS A 26 6.055 -1.233 -10.653 1.00 0.00 O ATOM 373 CB LYS A 26 5.124 -2.887 -12.666 1.00 0.00 C ATOM 374 CG LYS A 26 6.383 -2.504 -13.427 1.00 0.00 C ATOM 375 CD LYS A 26 7.319 -3.691 -13.568 1.00 0.00 C ATOM 376 CE LYS A 26 8.522 -3.357 -14.430 1.00 0.00 C ATOM 377 NZ LYS A 26 8.142 -3.058 -15.835 1.00 0.00 N ATOM 0 H LYS A 26 4.427 -5.246 -10.755 1.00 0.00 H new ATOM 0 HA LYS A 26 6.255 -4.130 -11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.566 -3.618 -13.251 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.489 -2.007 -12.567 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.115 -2.129 -14.415 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.894 -1.694 -12.907 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.655 -4.009 -12.581 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.779 -4.530 -14.006 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.043 -2.499 -14.006 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.221 -4.193 -14.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.992 -3.070 -16.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.470 -3.776 -16.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.698 -2.119 -15.882 1.00 0.00 H new ATOM 391 N GLY A 27 5.675 -2.693 -8.992 1.00 0.00 N ATOM 392 CA GLY A 27 6.054 -1.749 -7.962 1.00 0.00 C ATOM 393 C GLY A 27 4.902 -0.890 -7.483 1.00 0.00 C ATOM 394 O GLY A 27 5.055 -0.102 -6.553 1.00 0.00 O ATOM 0 H GLY A 27 5.365 -3.602 -8.648 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.469 -2.294 -7.114 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.845 -1.104 -8.344 1.00 0.00 H new ATOM 398 N LYS A 28 3.747 -1.029 -8.113 1.00 0.00 N ATOM 399 CA LYS A 28 2.583 -0.247 -7.729 1.00 0.00 C ATOM 400 C LYS A 28 1.543 -1.123 -7.068 1.00 0.00 C ATOM 401 O LYS A 28 1.550 -2.336 -7.233 1.00 0.00 O ATOM 402 CB LYS A 28 1.990 0.450 -8.944 1.00 0.00 C ATOM 403 CG LYS A 28 2.973 1.378 -9.610 1.00 0.00 C ATOM 404 CD LYS A 28 2.356 2.104 -10.788 1.00 0.00 C ATOM 405 CE LYS A 28 3.214 3.285 -11.217 1.00 0.00 C ATOM 406 NZ LYS A 28 4.650 2.919 -11.343 1.00 0.00 N ATOM 0 H LYS A 28 3.590 -1.673 -8.889 1.00 0.00 H new ATOM 0 HA LYS A 28 2.901 0.509 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.657 -0.299 -9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.109 1.015 -8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.334 2.106 -8.884 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.839 0.808 -9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.239 1.414 -11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.359 2.454 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.853 3.667 -12.172 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.109 4.091 -10.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.152 3.661 -11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.069 2.825 -10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.735 2.015 -11.850 1.00 0.00 H new ATOM 420 N ILE A 29 0.653 -0.501 -6.324 1.00 0.00 N ATOM 421 CA ILE A 29 -0.334 -1.220 -5.544 1.00 0.00 C ATOM 422 C ILE A 29 -1.745 -0.801 -5.931 1.00 0.00 C ATOM 423 O ILE A 29 -2.076 0.386 -5.913 1.00 0.00 O ATOM 424 CB ILE A 29 -0.104 -0.962 -4.042 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.269 -1.495 -3.630 1.00 0.00 C ATOM 426 CG2 ILE A 29 -1.200 -1.604 -3.210 1.00 0.00 C ATOM 427 CD1 ILE A 29 1.757 -0.960 -2.306 1.00 0.00 C ATOM 0 H ILE A 29 0.593 0.514 -6.242 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.224 -2.285 -5.750 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.135 0.113 -3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.226 -2.583 -3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.994 -1.241 -4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.016 -1.409 -2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.165 -1.185 -3.494 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.206 -2.680 -3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.736 -1.383 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.834 0.126 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.054 -1.236 -1.520 1.00 0.00 H new ATOM 439 N HIS A 30 -2.567 -1.775 -6.300 1.00 0.00 N ATOM 440 CA HIS A 30 -3.966 -1.518 -6.595 1.00 0.00 C ATOM 441 C HIS A 30 -4.769 -1.610 -5.316 1.00 0.00 C ATOM 442 O HIS A 30 -4.700 -2.611 -4.594 1.00 0.00 O ATOM 443 CB HIS A 30 -4.537 -2.510 -7.610 1.00 0.00 C ATOM 444 CG HIS A 30 -3.815 -2.544 -8.921 1.00 0.00 C ATOM 445 ND1 HIS A 30 -4.042 -1.635 -9.926 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.887 -3.406 -9.401 1.00 0.00 C ATOM 447 CE1 HIS A 30 -3.287 -1.934 -10.965 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.574 -3.006 -10.677 1.00 0.00 N ATOM 0 H HIS A 30 -2.286 -2.750 -6.401 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.033 -0.520 -7.028 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.518 -3.508 -7.173 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.583 -2.262 -7.792 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.470 -4.253 -8.876 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.257 -1.391 -11.898 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.904 -3.461 -11.297 1.00 0.00 H new ATOM 457 N LEU A 31 -5.518 -0.570 -5.040 1.00 0.00 N ATOM 458 CA LEU A 31 -6.317 -0.506 -3.837 1.00 0.00 C ATOM 459 C LEU A 31 -7.768 -0.233 -4.177 1.00 0.00 C ATOM 460 O LEU A 31 -8.076 0.600 -5.033 1.00 0.00 O ATOM 461 CB LEU A 31 -5.795 0.584 -2.904 1.00 0.00 C ATOM 462 CG LEU A 31 -4.354 0.396 -2.424 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.891 1.608 -1.632 1.00 0.00 C ATOM 464 CD2 LEU A 31 -4.241 -0.864 -1.581 1.00 0.00 C ATOM 0 H LEU A 31 -5.592 0.253 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.245 -1.469 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.868 1.544 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.447 0.637 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.709 0.291 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.864 1.455 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.940 2.495 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.537 1.744 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.211 -0.986 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.897 -0.782 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.533 -1.728 -2.177 1.00 0.00 H new ATOM 476 N HIS A 32 -8.651 -0.947 -3.514 1.00 0.00 N ATOM 477 CA HIS A 32 -10.076 -0.750 -3.686 1.00 0.00 C ATOM 478 C HIS A 32 -10.609 0.052 -2.508 1.00 0.00 C ATOM 479 O HIS A 32 -10.800 -0.486 -1.416 1.00 0.00 O ATOM 480 CB HIS A 32 -10.792 -2.102 -3.813 1.00 0.00 C ATOM 481 CG HIS A 32 -12.266 -1.991 -4.073 1.00 0.00 C ATOM 482 ND1 HIS A 32 -13.222 -2.521 -3.237 1.00 0.00 N ATOM 483 CD2 HIS A 32 -12.941 -1.424 -5.101 1.00 0.00 C ATOM 484 CE1 HIS A 32 -14.421 -2.281 -3.733 1.00 0.00 C ATOM 485 NE2 HIS A 32 -14.279 -1.619 -4.866 1.00 0.00 N ATOM 0 H HIS A 32 -8.405 -1.676 -2.844 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.265 -0.195 -4.605 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.333 -2.670 -4.622 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.637 -2.671 -2.896 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.507 -0.913 -5.948 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -15.359 -2.576 -3.287 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -15.039 -1.304 -5.468 1.00 0.00 H new ATOM 494 N LYS A 33 -10.800 1.347 -2.733 1.00 0.00 N ATOM 495 CA LYS A 33 -11.232 2.264 -1.688 1.00 0.00 C ATOM 496 C LYS A 33 -12.617 1.898 -1.175 1.00 0.00 C ATOM 497 O LYS A 33 -13.388 1.222 -1.857 1.00 0.00 O ATOM 498 CB LYS A 33 -11.253 3.692 -2.234 1.00 0.00 C ATOM 499 CG LYS A 33 -9.991 4.067 -2.987 1.00 0.00 C ATOM 500 CD LYS A 33 -10.004 5.524 -3.414 1.00 0.00 C ATOM 501 CE LYS A 33 -9.918 6.443 -2.209 1.00 0.00 C ATOM 502 NZ LYS A 33 -9.777 7.872 -2.597 1.00 0.00 N ATOM 0 H LYS A 33 -10.660 1.788 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.527 2.193 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.111 3.807 -2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.394 4.388 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.122 3.880 -2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.889 3.431 -3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.167 5.718 -4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.916 5.735 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.812 6.321 -1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.068 6.151 -1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.722 8.460 -1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.910 7.995 -3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.600 8.161 -3.163 1.00 0.00 H new ATOM 516 N ALA A 34 -12.925 2.377 0.027 1.00 0.00 N ATOM 517 CA ALA A 34 -14.223 2.146 0.654 1.00 0.00 C ATOM 518 C ALA A 34 -15.350 2.782 -0.157 1.00 0.00 C ATOM 519 O ALA A 34 -16.525 2.476 0.043 1.00 0.00 O ATOM 520 CB ALA A 34 -14.222 2.695 2.075 1.00 0.00 C ATOM 0 H ALA A 34 -12.284 2.934 0.592 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.398 1.071 0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -15.195 2.518 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.449 2.194 2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -14.022 3.766 2.051 1.00 0.00 H new ATOM 526 N ASN A 35 -14.978 3.673 -1.070 1.00 0.00 N ATOM 527 CA ASN A 35 -15.938 4.316 -1.959 1.00 0.00 C ATOM 528 C ASN A 35 -16.278 3.399 -3.134 1.00 0.00 C ATOM 529 O ASN A 35 -17.356 3.492 -3.718 1.00 0.00 O ATOM 530 CB ASN A 35 -15.374 5.644 -2.476 1.00 0.00 C ATOM 531 CG ASN A 35 -16.319 6.351 -3.429 1.00 0.00 C ATOM 532 OD1 ASN A 35 -16.280 6.135 -4.640 1.00 0.00 O ATOM 533 ND2 ASN A 35 -17.167 7.213 -2.893 1.00 0.00 N ATOM 0 H ASN A 35 -14.012 3.967 -1.214 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.850 4.514 -1.396 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.162 6.298 -1.630 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.426 5.459 -2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -17.818 7.725 -3.488 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -17.170 7.366 -1.884 1.00 0.00 H new ATOM 540 N GLY A 36 -15.357 2.499 -3.459 1.00 0.00 N ATOM 541 CA GLY A 36 -15.546 1.614 -4.594 1.00 0.00 C ATOM 542 C GLY A 36 -14.579 1.914 -5.721 1.00 0.00 C ATOM 543 O GLY A 36 -14.519 1.183 -6.709 1.00 0.00 O ATOM 0 H GLY A 36 -14.480 2.366 -2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.417 0.581 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.568 1.709 -4.960 1.00 0.00 H new ATOM 547 N VAL A 37 -13.819 2.990 -5.574 1.00 0.00 N ATOM 548 CA VAL A 37 -12.838 3.374 -6.582 1.00 0.00 C ATOM 549 C VAL A 37 -11.587 2.508 -6.470 1.00 0.00 C ATOM 550 O VAL A 37 -11.119 2.219 -5.367 1.00 0.00 O ATOM 551 CB VAL A 37 -12.435 4.858 -6.442 1.00 0.00 C ATOM 552 CG1 VAL A 37 -11.489 5.283 -7.555 1.00 0.00 C ATOM 553 CG2 VAL A 37 -13.668 5.743 -6.426 1.00 0.00 C ATOM 0 H VAL A 37 -13.862 3.613 -4.767 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.303 3.226 -7.557 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.908 4.973 -5.495 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.225 6.333 -7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.586 4.674 -7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.978 5.147 -8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.366 6.786 -6.327 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.222 5.612 -7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.303 5.467 -5.584 1.00 0.00 H new ATOM 563 N LYS A 38 -11.064 2.082 -7.606 1.00 0.00 N ATOM 564 CA LYS A 38 -9.830 1.317 -7.640 1.00 0.00 C ATOM 565 C LYS A 38 -8.682 2.220 -8.071 1.00 0.00 C ATOM 566 O LYS A 38 -8.744 2.861 -9.121 1.00 0.00 O ATOM 567 CB LYS A 38 -9.963 0.136 -8.599 1.00 0.00 C ATOM 568 CG LYS A 38 -8.854 -0.895 -8.470 1.00 0.00 C ATOM 569 CD LYS A 38 -9.109 -2.094 -9.371 1.00 0.00 C ATOM 570 CE LYS A 38 -10.433 -2.767 -9.038 1.00 0.00 C ATOM 571 NZ LYS A 38 -10.761 -3.863 -9.983 1.00 0.00 N ATOM 0 H LYS A 38 -11.478 2.254 -8.522 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.624 0.928 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.921 -0.353 -8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.978 0.512 -9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.898 -0.439 -8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.779 -1.225 -7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.114 -1.774 -10.413 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.296 -2.812 -9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.391 -3.165 -8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.230 -2.024 -9.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.671 -4.291 -9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.828 -3.481 -10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.015 -4.586 -9.948 1.00 0.00 H new ATOM 585 N ILE A 39 -7.646 2.277 -7.255 1.00 0.00 N ATOM 586 CA ILE A 39 -6.511 3.153 -7.514 1.00 0.00 C ATOM 587 C ILE A 39 -5.212 2.357 -7.566 1.00 0.00 C ATOM 588 O ILE A 39 -5.113 1.284 -6.976 1.00 0.00 O ATOM 589 CB ILE A 39 -6.385 4.256 -6.435 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.230 3.632 -5.043 1.00 0.00 C ATOM 591 CG2 ILE A 39 -7.589 5.190 -6.476 1.00 0.00 C ATOM 592 CD1 ILE A 39 -6.062 4.649 -3.934 1.00 0.00 C ATOM 0 H ILE A 39 -7.564 1.725 -6.401 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.689 3.625 -8.480 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.492 4.844 -6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.105 3.018 -4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.367 2.967 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.480 5.958 -5.710 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.650 5.662 -7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.499 4.619 -6.291 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.958 4.133 -2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.171 5.248 -4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.936 5.300 -3.902 1.00 0.00 H new ATOM 604 N ALA A 40 -4.233 2.877 -8.293 1.00 0.00 N ATOM 605 CA ALA A 40 -2.914 2.266 -8.349 1.00 0.00 C ATOM 606 C ALA A 40 -1.857 3.261 -7.898 1.00 0.00 C ATOM 607 O ALA A 40 -1.487 4.172 -8.643 1.00 0.00 O ATOM 608 CB ALA A 40 -2.603 1.781 -9.758 1.00 0.00 C ATOM 0 H ALA A 40 -4.329 3.724 -8.854 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.906 1.407 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.612 1.328 -9.776 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.345 1.043 -10.061 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.629 2.625 -10.447 1.00 0.00 H new ATOM 614 N VAL A 41 -1.375 3.094 -6.679 1.00 0.00 N ATOM 615 CA VAL A 41 -0.347 3.974 -6.150 1.00 0.00 C ATOM 616 C VAL A 41 1.011 3.314 -6.282 1.00 0.00 C ATOM 617 O VAL A 41 1.110 2.092 -6.328 1.00 0.00 O ATOM 618 CB VAL A 41 -0.589 4.343 -4.673 1.00 0.00 C ATOM 619 CG1 VAL A 41 -2.037 4.738 -4.436 1.00 0.00 C ATOM 620 CG2 VAL A 41 -0.165 3.217 -3.748 1.00 0.00 C ATOM 0 H VAL A 41 -1.677 2.360 -6.039 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.383 4.895 -6.732 1.00 0.00 H new ATOM 0 HB VAL A 41 0.031 5.209 -4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.177 4.993 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.285 5.600 -5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.689 3.904 -4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.348 3.508 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.739 2.320 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.897 3.014 -3.885 1.00 0.00 H new ATOM 630 N ALA A 42 2.053 4.114 -6.367 1.00 0.00 N ATOM 631 CA ALA A 42 3.396 3.577 -6.417 1.00 0.00 C ATOM 632 C ALA A 42 3.882 3.261 -5.013 1.00 0.00 C ATOM 633 O ALA A 42 3.931 4.140 -4.150 1.00 0.00 O ATOM 634 CB ALA A 42 4.338 4.546 -7.103 1.00 0.00 C ATOM 0 H ALA A 42 1.997 5.132 -6.403 1.00 0.00 H new ATOM 0 HA ALA A 42 3.380 2.655 -6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.341 4.121 -7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.995 4.728 -8.121 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.356 5.487 -6.553 1.00 0.00 H new ATOM 640 N ALA A 43 4.244 2.006 -4.798 1.00 0.00 N ATOM 641 CA ALA A 43 4.664 1.538 -3.476 1.00 0.00 C ATOM 642 C ALA A 43 6.010 2.125 -3.096 1.00 0.00 C ATOM 643 O ALA A 43 6.375 2.187 -1.925 1.00 0.00 O ATOM 644 CB ALA A 43 4.745 0.021 -3.449 1.00 0.00 C ATOM 0 H ALA A 43 4.257 1.287 -5.521 1.00 0.00 H new ATOM 0 HA ALA A 43 3.919 1.870 -2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.059 -0.309 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.766 -0.400 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.469 -0.318 -4.190 1.00 0.00 H new ATOM 650 N ASP A 44 6.728 2.570 -4.099 1.00 0.00 N ATOM 651 CA ASP A 44 8.083 3.072 -3.914 1.00 0.00 C ATOM 652 C ASP A 44 8.100 4.476 -3.325 1.00 0.00 C ATOM 653 O ASP A 44 9.153 4.961 -2.903 1.00 0.00 O ATOM 654 CB ASP A 44 8.863 3.052 -5.224 1.00 0.00 C ATOM 655 CG ASP A 44 8.173 3.793 -6.351 1.00 0.00 C ATOM 656 OD1 ASP A 44 7.210 3.247 -6.926 1.00 0.00 O ATOM 657 OD2 ASP A 44 8.604 4.916 -6.679 1.00 0.00 O ATOM 0 H ASP A 44 6.399 2.598 -5.064 1.00 0.00 H new ATOM 0 HA ASP A 44 8.566 2.402 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.846 3.493 -5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.024 2.017 -5.526 1.00 0.00 H new ATOM 662 N LYS A 45 6.949 5.134 -3.296 1.00 0.00 N ATOM 663 CA LYS A 45 6.842 6.427 -2.632 1.00 0.00 C ATOM 664 C LYS A 45 5.859 6.312 -1.481 1.00 0.00 C ATOM 665 O LYS A 45 5.453 7.302 -0.869 1.00 0.00 O ATOM 666 CB LYS A 45 6.433 7.526 -3.626 1.00 0.00 C ATOM 667 CG LYS A 45 5.151 7.249 -4.404 1.00 0.00 C ATOM 668 CD LYS A 45 3.908 7.587 -3.596 1.00 0.00 C ATOM 669 CE LYS A 45 2.645 7.371 -4.405 1.00 0.00 C ATOM 670 NZ LYS A 45 2.572 8.275 -5.585 1.00 0.00 N ATOM 0 H LYS A 45 6.084 4.799 -3.720 1.00 0.00 H new ATOM 0 HA LYS A 45 7.815 6.714 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.314 8.462 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.246 7.673 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.153 7.831 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.122 6.198 -4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.877 6.969 -2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.958 8.625 -3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.603 6.335 -4.740 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.775 7.536 -3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.602 8.280 -5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.838 9.239 -5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.225 7.939 -6.321 1.00 0.00 H new ATOM 684 N LEU A 46 5.495 5.078 -1.196 1.00 0.00 N ATOM 685 CA LEU A 46 4.518 4.777 -0.170 1.00 0.00 C ATOM 686 C LEU A 46 5.223 4.590 1.171 1.00 0.00 C ATOM 687 O LEU A 46 6.439 4.398 1.215 1.00 0.00 O ATOM 688 CB LEU A 46 3.783 3.511 -0.581 1.00 0.00 C ATOM 689 CG LEU A 46 2.413 3.276 0.046 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.429 4.383 -0.323 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.902 1.934 -0.421 1.00 0.00 C ATOM 0 H LEU A 46 5.869 4.255 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 46 3.804 5.594 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.663 3.525 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.417 2.657 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 46 2.508 3.287 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.464 4.182 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.810 5.341 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.310 4.418 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.922 1.746 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.820 1.934 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.595 1.152 -0.109 1.00 0.00 H new ATOM 703 N SER A 47 4.471 4.658 2.259 1.00 0.00 N ATOM 704 CA SER A 47 5.050 4.538 3.589 1.00 0.00 C ATOM 705 C SER A 47 5.565 3.124 3.826 1.00 0.00 C ATOM 706 O SER A 47 4.970 2.139 3.388 1.00 0.00 O ATOM 707 CB SER A 47 4.020 4.920 4.648 1.00 0.00 C ATOM 708 OG SER A 47 3.511 6.216 4.412 1.00 0.00 O ATOM 0 H SER A 47 3.460 4.795 2.248 1.00 0.00 H new ATOM 0 HA SER A 47 5.895 5.223 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.203 4.198 4.644 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.477 4.879 5.637 1.00 0.00 H new ATOM 0 HG SER A 47 2.852 6.439 5.102 1.00 0.00 H new ATOM 714 N ASN A 48 6.688 3.053 4.526 1.00 0.00 N ATOM 715 CA ASN A 48 7.410 1.807 4.750 1.00 0.00 C ATOM 716 C ASN A 48 6.596 0.843 5.595 1.00 0.00 C ATOM 717 O ASN A 48 6.760 -0.371 5.493 1.00 0.00 O ATOM 718 CB ASN A 48 8.733 2.105 5.448 1.00 0.00 C ATOM 719 CG ASN A 48 9.701 2.900 4.582 1.00 0.00 C ATOM 720 OD1 ASN A 48 9.323 3.476 3.561 1.00 0.00 O ATOM 721 ND2 ASN A 48 10.954 2.973 5.002 1.00 0.00 N ATOM 0 H ASN A 48 7.128 3.865 4.959 1.00 0.00 H new ATOM 0 HA ASN A 48 7.594 1.340 3.783 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.536 2.660 6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.203 1.165 5.739 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.637 3.518 4.476 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.236 2.485 5.852 1.00 0.00 H new ATOM 728 N GLU A 49 5.728 1.394 6.437 1.00 0.00 N ATOM 729 CA GLU A 49 4.830 0.609 7.239 1.00 0.00 C ATOM 730 C GLU A 49 3.856 -0.134 6.336 1.00 0.00 C ATOM 731 O GLU A 49 3.652 -1.349 6.462 1.00 0.00 O ATOM 732 CB GLU A 49 4.084 1.552 8.167 1.00 0.00 C ATOM 733 CG GLU A 49 4.995 2.377 9.064 1.00 0.00 C ATOM 734 CD GLU A 49 5.805 1.524 10.016 1.00 0.00 C ATOM 735 OE1 GLU A 49 6.846 0.977 9.594 1.00 0.00 O ATOM 736 OE2 GLU A 49 5.405 1.397 11.191 1.00 0.00 O ATOM 0 H GLU A 49 5.636 2.401 6.574 1.00 0.00 H new ATOM 0 HA GLU A 49 5.379 -0.128 7.825 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.471 2.226 7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.404 0.971 8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.672 2.966 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.393 3.082 9.637 1.00 0.00 H new ATOM 743 N ASP A 50 3.271 0.616 5.414 1.00 0.00 N ATOM 744 CA ASP A 50 2.396 0.093 4.409 1.00 0.00 C ATOM 745 C ASP A 50 3.130 -0.931 3.553 1.00 0.00 C ATOM 746 O ASP A 50 2.559 -1.945 3.156 1.00 0.00 O ATOM 747 CB ASP A 50 1.910 1.258 3.557 1.00 0.00 C ATOM 748 CG ASP A 50 1.196 2.327 4.368 1.00 0.00 C ATOM 749 OD1 ASP A 50 1.827 2.913 5.272 1.00 0.00 O ATOM 750 OD2 ASP A 50 0.002 2.581 4.113 1.00 0.00 O ATOM 0 H ASP A 50 3.403 1.626 5.354 1.00 0.00 H new ATOM 0 HA ASP A 50 1.546 -0.410 4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.761 1.706 3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.236 0.882 2.787 1.00 0.00 H new ATOM 755 N LEU A 51 4.415 -0.677 3.300 1.00 0.00 N ATOM 756 CA LEU A 51 5.234 -1.593 2.524 1.00 0.00 C ATOM 757 C LEU A 51 5.408 -2.910 3.262 1.00 0.00 C ATOM 758 O LEU A 51 5.212 -3.982 2.691 1.00 0.00 O ATOM 759 CB LEU A 51 6.593 -0.960 2.221 1.00 0.00 C ATOM 760 CG LEU A 51 6.681 -0.188 0.898 1.00 0.00 C ATOM 761 CD1 LEU A 51 5.315 0.318 0.462 1.00 0.00 C ATOM 762 CD2 LEU A 51 7.651 0.972 1.030 1.00 0.00 C ATOM 0 H LEU A 51 4.906 0.157 3.624 1.00 0.00 H new ATOM 0 HA LEU A 51 4.729 -1.797 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.848 -0.282 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.347 -1.747 2.213 1.00 0.00 H new ATOM 0 HG LEU A 51 7.046 -0.873 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.411 0.861 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.640 -0.527 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.913 0.984 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.704 1.511 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.307 1.647 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.640 0.592 1.287 1.00 0.00 H new ATOM 774 N ALA A 52 5.744 -2.821 4.544 1.00 0.00 N ATOM 775 CA ALA A 52 5.909 -4.002 5.381 1.00 0.00 C ATOM 776 C ALA A 52 4.599 -4.773 5.493 1.00 0.00 C ATOM 777 O ALA A 52 4.592 -5.986 5.708 1.00 0.00 O ATOM 778 CB ALA A 52 6.414 -3.607 6.761 1.00 0.00 C ATOM 0 H ALA A 52 5.908 -1.938 5.028 1.00 0.00 H new ATOM 0 HA ALA A 52 6.648 -4.653 4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.532 -4.500 7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.375 -3.102 6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.697 -2.935 7.232 1.00 0.00 H new ATOM 784 N TYR A 53 3.491 -4.059 5.361 1.00 0.00 N ATOM 785 CA TYR A 53 2.178 -4.683 5.389 1.00 0.00 C ATOM 786 C TYR A 53 1.933 -5.482 4.106 1.00 0.00 C ATOM 787 O TYR A 53 1.515 -6.646 4.147 1.00 0.00 O ATOM 788 CB TYR A 53 1.098 -3.618 5.575 1.00 0.00 C ATOM 789 CG TYR A 53 -0.269 -4.181 5.882 1.00 0.00 C ATOM 790 CD1 TYR A 53 -0.538 -4.758 7.116 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.289 -4.130 4.943 1.00 0.00 C ATOM 792 CE1 TYR A 53 -1.786 -5.273 7.406 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.538 -4.641 5.225 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.782 -5.211 6.456 1.00 0.00 C ATOM 795 OH TYR A 53 -4.027 -5.722 6.731 1.00 0.00 O ATOM 0 H TYR A 53 3.476 -3.047 5.233 1.00 0.00 H new ATOM 0 HA TYR A 53 2.136 -5.374 6.231 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.395 -2.950 6.384 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.037 -3.014 4.669 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.242 -4.805 7.862 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.102 -3.684 3.977 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.980 -5.721 8.370 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.322 -4.595 4.484 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.206 -5.648 7.692 1.00 0.00 H new ATOM 805 N VAL A 54 2.213 -4.861 2.965 1.00 0.00 N ATOM 806 CA VAL A 54 2.023 -5.521 1.679 1.00 0.00 C ATOM 807 C VAL A 54 2.927 -6.744 1.562 1.00 0.00 C ATOM 808 O VAL A 54 2.543 -7.746 0.954 1.00 0.00 O ATOM 809 CB VAL A 54 2.277 -4.570 0.489 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.037 -5.283 -0.836 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.392 -3.338 0.592 1.00 0.00 C ATOM 0 H VAL A 54 2.570 -3.907 2.904 1.00 0.00 H new ATOM 0 HA VAL A 54 0.980 -5.834 1.638 1.00 0.00 H new ATOM 0 HB VAL A 54 3.320 -4.255 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.222 -4.593 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.712 -6.135 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.005 -5.632 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.585 -2.680 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.345 -3.641 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.611 -2.809 1.520 1.00 0.00 H new ATOM 821 N GLU A 55 4.119 -6.671 2.162 1.00 0.00 N ATOM 822 CA GLU A 55 5.010 -7.827 2.240 1.00 0.00 C ATOM 823 C GLU A 55 4.272 -9.032 2.815 1.00 0.00 C ATOM 824 O GLU A 55 4.504 -10.172 2.415 1.00 0.00 O ATOM 825 CB GLU A 55 6.227 -7.517 3.118 1.00 0.00 C ATOM 826 CG GLU A 55 7.057 -6.346 2.630 1.00 0.00 C ATOM 827 CD GLU A 55 8.364 -6.201 3.387 1.00 0.00 C ATOM 828 OE1 GLU A 55 9.371 -6.815 2.972 1.00 0.00 O ATOM 829 OE2 GLU A 55 8.394 -5.466 4.392 1.00 0.00 O ATOM 0 H GLU A 55 4.486 -5.825 2.599 1.00 0.00 H new ATOM 0 HA GLU A 55 5.347 -8.056 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.887 -7.310 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.861 -8.402 3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.269 -6.473 1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.479 -5.428 2.732 1.00 0.00 H new ATOM 836 N LYS A 56 3.362 -8.765 3.744 1.00 0.00 N ATOM 837 CA LYS A 56 2.603 -9.815 4.392 1.00 0.00 C ATOM 838 C LYS A 56 1.410 -10.254 3.553 1.00 0.00 C ATOM 839 O LYS A 56 1.078 -11.437 3.513 1.00 0.00 O ATOM 840 CB LYS A 56 2.152 -9.355 5.780 1.00 0.00 C ATOM 841 CG LYS A 56 3.242 -9.453 6.841 1.00 0.00 C ATOM 842 CD LYS A 56 3.459 -10.893 7.291 1.00 0.00 C ATOM 843 CE LYS A 56 4.028 -11.774 6.186 1.00 0.00 C ATOM 844 NZ LYS A 56 3.886 -13.219 6.500 1.00 0.00 N ATOM 0 H LYS A 56 3.135 -7.823 4.063 1.00 0.00 H new ATOM 0 HA LYS A 56 3.255 -10.682 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.810 -8.322 5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.298 -9.956 6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.174 -9.051 6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.970 -8.840 7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.137 -10.905 8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.511 -11.310 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.518 -11.555 5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.082 -11.536 6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.285 -13.784 5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.394 -13.434 7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.879 -13.452 6.615 1.00 0.00 H new ATOM 858 N ILE A 57 0.776 -9.304 2.881 1.00 0.00 N ATOM 859 CA ILE A 57 -0.388 -9.615 2.047 1.00 0.00 C ATOM 860 C ILE A 57 0.018 -10.412 0.805 1.00 0.00 C ATOM 861 O ILE A 57 -0.764 -11.204 0.275 1.00 0.00 O ATOM 862 CB ILE A 57 -1.129 -8.334 1.597 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.311 -7.385 2.778 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.485 -8.680 0.985 1.00 0.00 C ATOM 865 CD1 ILE A 57 -2.134 -7.970 3.906 1.00 0.00 C ATOM 0 H ILE A 57 1.040 -8.319 2.893 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.058 -10.215 2.663 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.525 -7.839 0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.330 -7.105 3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.789 -6.470 2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.989 -7.764 0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.339 -9.325 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.096 -9.198 1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.221 -7.239 4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.128 -8.224 3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.647 -8.869 4.284 1.00 0.00 H new ATOM 877 N THR A 58 1.247 -10.210 0.353 1.00 0.00 N ATOM 878 CA THR A 58 1.696 -10.805 -0.902 1.00 0.00 C ATOM 879 C THR A 58 2.630 -11.993 -0.696 1.00 0.00 C ATOM 880 O THR A 58 2.482 -13.029 -1.345 1.00 0.00 O ATOM 881 CB THR A 58 2.422 -9.774 -1.785 1.00 0.00 C ATOM 882 OG1 THR A 58 3.499 -9.171 -1.055 1.00 0.00 O ATOM 883 CG2 THR A 58 1.465 -8.700 -2.262 1.00 0.00 C ATOM 0 H THR A 58 1.948 -9.644 0.830 1.00 0.00 H new ATOM 0 HA THR A 58 0.788 -11.154 -1.394 1.00 0.00 H new ATOM 0 HB THR A 58 2.821 -10.295 -2.655 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.146 -8.465 -0.474 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.002 -7.984 -2.884 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.665 -9.158 -2.844 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.038 -8.185 -1.402 1.00 0.00 H new ATOM 891 N GLY A 59 3.592 -11.831 0.202 1.00 0.00 N ATOM 892 CA GLY A 59 4.632 -12.825 0.362 1.00 0.00 C ATOM 893 C GLY A 59 5.926 -12.366 -0.280 1.00 0.00 C ATOM 894 O GLY A 59 6.908 -13.109 -0.334 1.00 0.00 O ATOM 0 H GLY A 59 3.670 -11.026 0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.796 -13.017 1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.313 -13.766 -0.087 1.00 0.00 H new ATOM 898 N PHE A 60 5.916 -11.135 -0.782 1.00 0.00 N ATOM 899 CA PHE A 60 7.095 -10.531 -1.384 1.00 0.00 C ATOM 900 C PHE A 60 7.711 -9.542 -0.405 1.00 0.00 C ATOM 901 O PHE A 60 7.246 -9.418 0.727 1.00 0.00 O ATOM 902 CB PHE A 60 6.723 -9.821 -2.689 1.00 0.00 C ATOM 903 CG PHE A 60 6.172 -10.742 -3.741 1.00 0.00 C ATOM 904 CD1 PHE A 60 7.020 -11.531 -4.501 1.00 0.00 C ATOM 905 CD2 PHE A 60 4.808 -10.821 -3.964 1.00 0.00 C ATOM 906 CE1 PHE A 60 6.516 -12.382 -5.465 1.00 0.00 C ATOM 907 CE2 PHE A 60 4.297 -11.671 -4.927 1.00 0.00 C ATOM 908 CZ PHE A 60 5.153 -12.454 -5.678 1.00 0.00 C ATOM 0 H PHE A 60 5.093 -10.532 -0.782 1.00 0.00 H new ATOM 0 HA PHE A 60 7.820 -11.312 -1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.986 -9.047 -2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.606 -9.319 -3.084 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.086 -11.480 -4.338 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.135 -10.212 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.187 -12.991 -6.052 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.231 -11.723 -5.092 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.757 -13.121 -6.430 1.00 0.00 H new ATOM 918 N SER A 61 8.749 -8.840 -0.831 1.00 0.00 N ATOM 919 CA SER A 61 9.412 -7.882 0.031 1.00 0.00 C ATOM 920 C SER A 61 9.470 -6.509 -0.631 1.00 0.00 C ATOM 921 O SER A 61 10.026 -6.350 -1.718 1.00 0.00 O ATOM 922 CB SER A 61 10.823 -8.365 0.367 1.00 0.00 C ATOM 923 OG SER A 61 11.430 -7.531 1.340 1.00 0.00 O ATOM 0 H SER A 61 9.148 -8.917 -1.767 1.00 0.00 H new ATOM 0 HA SER A 61 8.838 -7.794 0.953 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.782 -9.390 0.737 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.432 -8.377 -0.537 1.00 0.00 H new ATOM 0 HG SER A 61 10.777 -7.313 2.038 1.00 0.00 H new ATOM 929 N LEU A 62 8.899 -5.513 0.036 1.00 0.00 N ATOM 930 CA LEU A 62 8.892 -4.155 -0.490 1.00 0.00 C ATOM 931 C LEU A 62 10.045 -3.345 0.096 1.00 0.00 C ATOM 932 O LEU A 62 9.996 -2.118 0.133 1.00 0.00 O ATOM 933 CB LEU A 62 7.559 -3.450 -0.210 1.00 0.00 C ATOM 934 CG LEU A 62 6.306 -4.185 -0.697 1.00 0.00 C ATOM 935 CD1 LEU A 62 5.098 -3.272 -0.593 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.478 -4.672 -2.128 1.00 0.00 C ATOM 0 H LEU A 62 8.437 -5.620 0.939 1.00 0.00 H new ATOM 0 HA LEU A 62 9.019 -4.222 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.471 -3.292 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.585 -2.465 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 62 6.151 -5.057 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.211 -3.801 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.957 -2.972 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.257 -2.387 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.574 -5.190 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.659 -3.820 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.325 -5.356 -2.180 1.00 0.00 H new ATOM 948 N GLU A 63 11.079 -4.046 0.555 1.00 0.00 N ATOM 949 CA GLU A 63 12.284 -3.421 1.068 1.00 0.00 C ATOM 950 C GLU A 63 12.887 -2.491 0.024 1.00 0.00 C ATOM 951 O GLU A 63 13.325 -1.385 0.329 1.00 0.00 O ATOM 952 CB GLU A 63 13.292 -4.505 1.412 1.00 0.00 C ATOM 953 CG GLU A 63 13.966 -4.297 2.747 1.00 0.00 C ATOM 954 CD GLU A 63 13.214 -4.948 3.888 1.00 0.00 C ATOM 955 OE1 GLU A 63 13.365 -6.172 4.079 1.00 0.00 O ATOM 956 OE2 GLU A 63 12.478 -4.242 4.605 1.00 0.00 O ATOM 0 H GLU A 63 11.100 -5.065 0.579 1.00 0.00 H new ATOM 0 HA GLU A 63 12.034 -2.839 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.788 -5.471 1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.052 -4.544 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.977 -4.702 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.058 -3.228 2.941 1.00 0.00 H new ATOM 963 N LYS A 64 12.871 -2.959 -1.217 1.00 0.00 N ATOM 964 CA LYS A 64 13.406 -2.215 -2.354 1.00 0.00 C ATOM 965 C LYS A 64 12.648 -0.904 -2.579 1.00 0.00 C ATOM 966 O LYS A 64 13.106 -0.030 -3.315 1.00 0.00 O ATOM 967 CB LYS A 64 13.324 -3.089 -3.608 1.00 0.00 C ATOM 968 CG LYS A 64 11.952 -3.719 -3.800 1.00 0.00 C ATOM 969 CD LYS A 64 11.885 -4.570 -5.057 1.00 0.00 C ATOM 970 CE LYS A 64 10.527 -5.240 -5.191 1.00 0.00 C ATOM 971 NZ LYS A 64 10.378 -5.961 -6.481 1.00 0.00 N ATOM 0 H LYS A 64 12.485 -3.870 -1.466 1.00 0.00 H new ATOM 0 HA LYS A 64 14.444 -1.961 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.567 -2.485 -4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.075 -3.877 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.711 -4.334 -2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.197 -2.934 -3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.075 -3.948 -5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.667 -5.329 -5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.387 -5.941 -4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.743 -4.487 -5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.437 -6.401 -6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.484 -5.290 -7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.108 -6.698 -6.553 1.00 0.00 H new ATOM 985 N PHE A 65 11.489 -0.773 -1.946 1.00 0.00 N ATOM 986 CA PHE A 65 10.668 0.420 -2.103 1.00 0.00 C ATOM 987 C PHE A 65 10.768 1.318 -0.876 1.00 0.00 C ATOM 988 O PHE A 65 10.291 2.457 -0.883 1.00 0.00 O ATOM 989 CB PHE A 65 9.209 0.039 -2.357 1.00 0.00 C ATOM 990 CG PHE A 65 9.009 -0.768 -3.607 1.00 0.00 C ATOM 991 CD1 PHE A 65 9.496 -0.317 -4.822 1.00 0.00 C ATOM 992 CD2 PHE A 65 8.336 -1.974 -3.564 1.00 0.00 C ATOM 993 CE1 PHE A 65 9.315 -1.056 -5.974 1.00 0.00 C ATOM 994 CE2 PHE A 65 8.150 -2.719 -4.712 1.00 0.00 C ATOM 995 CZ PHE A 65 8.641 -2.259 -5.919 1.00 0.00 C ATOM 0 H PHE A 65 11.097 -1.477 -1.320 1.00 0.00 H new ATOM 0 HA PHE A 65 11.043 0.972 -2.965 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.836 -0.529 -1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.610 0.948 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.024 0.624 -4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.951 -2.338 -2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.700 -0.694 -6.916 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.622 -3.660 -4.666 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.497 -2.840 -6.818 1.00 0.00 H new ATOM 1005 N LYS A 66 11.404 0.810 0.171 1.00 0.00 N ATOM 1006 CA LYS A 66 11.555 1.561 1.405 1.00 0.00 C ATOM 1007 C LYS A 66 12.767 2.468 1.307 1.00 0.00 C ATOM 1008 O LYS A 66 13.871 2.022 0.999 1.00 0.00 O ATOM 1009 CB LYS A 66 11.710 0.617 2.595 1.00 0.00 C ATOM 1010 CG LYS A 66 10.550 -0.350 2.761 1.00 0.00 C ATOM 1011 CD LYS A 66 10.809 -1.353 3.872 1.00 0.00 C ATOM 1012 CE LYS A 66 9.700 -2.390 3.945 1.00 0.00 C ATOM 1013 NZ LYS A 66 9.997 -3.452 4.940 1.00 0.00 N ATOM 0 H LYS A 66 11.823 -0.120 0.188 1.00 0.00 H new ATOM 0 HA LYS A 66 10.660 2.165 1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.632 0.048 2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.813 1.208 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.640 0.208 2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.382 -0.880 1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.764 -1.850 3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.886 -0.831 4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.762 -1.900 4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.561 -2.842 2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.672 -4.370 4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.022 -3.491 5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.506 -3.240 5.832 1.00 0.00 H new ATOM 1027 N ALA A 67 12.539 3.740 1.563 1.00 0.00 N ATOM 1028 CA ALA A 67 13.585 4.747 1.466 1.00 0.00 C ATOM 1029 C ALA A 67 14.494 4.702 2.674 1.00 0.00 C ATOM 1030 O ALA A 67 15.553 4.076 2.662 1.00 0.00 O ATOM 1031 CB ALA A 67 12.977 6.131 1.305 1.00 0.00 C ATOM 0 H ALA A 67 11.630 4.107 1.843 1.00 0.00 H new ATOM 0 HA ALA A 67 14.186 4.528 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 67 13.773 6.872 1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 67 12.373 6.160 0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 67 12.349 6.355 2.167 1.00 0.00 H new ATOM 1037 N ASN A 68 14.067 5.376 3.702 1.00 0.00 N ATOM 1038 CA ASN A 68 14.764 5.374 4.975 1.00 0.00 C ATOM 1039 C ASN A 68 13.837 4.842 6.046 1.00 0.00 C ATOM 1040 O ASN A 68 12.903 5.574 6.434 1.00 0.00 O ATOM 1041 CB ASN A 68 15.256 6.774 5.361 1.00 0.00 C ATOM 1042 CG ASN A 68 16.229 7.358 4.357 1.00 0.00 C ATOM 1043 OD1 ASN A 68 17.423 7.055 4.384 1.00 0.00 O ATOM 1044 ND2 ASN A 68 15.735 8.226 3.490 1.00 0.00 N ATOM 1045 OXT ASN A 68 14.026 3.686 6.469 1.00 0.00 O ATOM 0 H ASN A 68 13.223 5.948 3.691 1.00 0.00 H new ATOM 0 HA ASN A 68 15.642 4.734 4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 68 14.399 7.440 5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 68 15.736 6.728 6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 68 16.349 8.673 2.809 1.00 0.00 H new ATOM 0 HD22 ASN A 68 14.740 8.449 3.502 1.00 0.00 H new TER 1052 ASN A 68