USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 888 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 29 SER OG : rot 180:sc= -0.501 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 150:sc= -0.147 (180deg=-0.784) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.01) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0634) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.223 K(o=-0.22,f=-0.92) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -16:sc= 0.628 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= -0.0265 (180deg=-0.197) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 73:sc= 1.25 USER MOD Single : A 71 LYS NZ :NH3+ -150:sc= 1.73 (180deg=1.58) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0541) USER MOD Single : A 84 LYS NZ :NH3+ -133:sc= -0.236 (180deg=-1.26!) USER MOD Single : A 86 LYS NZ :NH3+ 166:sc= -0.353 (180deg=-0.37) USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= 1.18 (180deg=0.764) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= 0.295 (180deg=-0.217) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 143:sc= 1.13 (180deg=-0.03) USER MOD Single : A 97 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.5) USER MOD Single : A 104 LYS NZ :NH3+ 169:sc= 1.44 (180deg=1.33) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 107 SER OG : rot 170:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -165:sc= -0.0176 (180deg=-0.213) USER MOD Single : A 119 SER OG : rot -34:sc= -0.972 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -3.758 12.881 -3.904 1.00 1.16 N ATOM 2 CA GLY A 22 -4.139 11.908 -2.854 1.00 1.05 C ATOM 3 C GLY A 22 -3.604 10.521 -3.142 1.00 0.87 C ATOM 4 O GLY A 22 -4.100 9.830 -4.032 1.00 0.89 O ATOM 0 HA2 GLY A 22 -3.761 12.249 -1.890 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -5.225 11.868 -2.774 1.00 1.05 H new ATOM 7 N LEU A 23 -2.589 10.115 -2.393 1.00 0.75 N ATOM 8 CA LEU A 23 -1.979 8.804 -2.570 1.00 0.62 C ATOM 9 C LEU A 23 -1.916 8.055 -1.246 1.00 0.51 C ATOM 10 O LEU A 23 -1.377 8.559 -0.258 1.00 0.59 O ATOM 11 CB LEU A 23 -0.564 8.951 -3.156 1.00 0.75 C ATOM 12 CG LEU A 23 0.272 7.664 -3.211 1.00 1.22 C ATOM 13 CD1 LEU A 23 -0.411 6.599 -4.055 1.00 1.78 C ATOM 14 CD2 LEU A 23 1.660 7.960 -3.756 1.00 1.91 C ATOM 0 H LEU A 23 -2.168 10.677 -1.653 1.00 0.75 H new ATOM 0 HA LEU A 23 -2.595 8.232 -3.263 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -0.649 9.350 -4.167 1.00 0.75 H new ATOM 0 HB3 LEU A 23 -0.021 9.690 -2.566 1.00 0.75 H new ATOM 0 HG LEU A 23 0.365 7.279 -2.195 1.00 1.22 H new ATOM 0 HD11 LEU A 23 0.205 5.700 -4.075 1.00 1.78 H new ATOM 0 HD12 LEU A 23 -1.384 6.363 -3.625 1.00 1.78 H new ATOM 0 HD13 LEU A 23 -0.544 6.970 -5.071 1.00 1.78 H new ATOM 0 HD21 LEU A 23 2.242 7.039 -3.789 1.00 1.91 H new ATOM 0 HD22 LEU A 23 1.576 8.373 -4.761 1.00 1.91 H new ATOM 0 HD23 LEU A 23 2.159 8.681 -3.108 1.00 1.91 H new ATOM 26 N LEU A 24 -2.486 6.860 -1.230 1.00 0.40 N ATOM 27 CA LEU A 24 -2.379 5.979 -0.082 1.00 0.39 C ATOM 28 C LEU A 24 -1.673 4.695 -0.490 1.00 0.38 C ATOM 29 O LEU A 24 -2.109 3.991 -1.400 1.00 0.50 O ATOM 30 CB LEU A 24 -3.758 5.642 0.507 1.00 0.44 C ATOM 31 CG LEU A 24 -3.723 4.709 1.722 1.00 0.50 C ATOM 32 CD1 LEU A 24 -2.979 5.347 2.880 1.00 1.02 C ATOM 33 CD2 LEU A 24 -5.124 4.332 2.147 1.00 1.24 C ATOM 0 H LEU A 24 -3.030 6.478 -2.004 1.00 0.40 H new ATOM 0 HA LEU A 24 -1.804 6.497 0.685 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.253 6.570 0.793 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.368 5.182 -0.270 1.00 0.44 H new ATOM 0 HG LEU A 24 -3.190 3.804 1.430 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -2.970 4.662 3.728 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -1.954 5.565 2.578 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -3.477 6.273 3.167 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -5.076 3.669 3.011 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -5.679 5.232 2.411 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -5.628 3.822 1.326 1.00 1.24 H new ATOM 45 N VAL A 25 -0.577 4.412 0.177 1.00 0.37 N ATOM 46 CA VAL A 25 0.190 3.207 -0.084 1.00 0.40 C ATOM 47 C VAL A 25 -0.119 2.144 0.968 1.00 0.42 C ATOM 48 O VAL A 25 0.073 2.366 2.162 1.00 0.56 O ATOM 49 CB VAL A 25 1.709 3.493 -0.090 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.497 2.235 -0.428 1.00 0.95 C ATOM 51 CG2 VAL A 25 2.041 4.612 -1.068 1.00 0.84 C ATOM 0 H VAL A 25 -0.191 5.004 0.912 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.098 2.843 -1.070 1.00 0.40 H new ATOM 0 HB VAL A 25 1.996 3.815 0.911 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.563 2.462 -0.426 1.00 0.95 H new ATOM 0 HG12 VAL A 25 2.289 1.465 0.314 1.00 0.95 H new ATOM 0 HG13 VAL A 25 2.204 1.876 -1.415 1.00 0.95 H new ATOM 0 HG21 VAL A 25 3.115 4.798 -1.057 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.733 4.321 -2.072 1.00 0.84 H new ATOM 0 HG23 VAL A 25 1.513 5.519 -0.776 1.00 0.84 H new ATOM 61 N LEU A 26 -0.613 1.001 0.529 1.00 0.46 N ATOM 62 CA LEU A 26 -0.884 -0.103 1.434 1.00 0.57 C ATOM 63 C LEU A 26 0.174 -1.177 1.239 1.00 0.51 C ATOM 64 O LEU A 26 0.199 -1.842 0.209 1.00 0.58 O ATOM 65 CB LEU A 26 -2.277 -0.682 1.178 1.00 0.75 C ATOM 66 CG LEU A 26 -3.440 0.295 1.364 1.00 0.74 C ATOM 67 CD1 LEU A 26 -4.763 -0.395 1.083 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.434 0.877 2.769 1.00 1.00 C ATOM 0 H LEU A 26 -0.835 0.812 -0.448 1.00 0.46 H new ATOM 0 HA LEU A 26 -0.853 0.261 2.461 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -2.309 -1.069 0.159 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.427 -1.530 1.846 1.00 0.75 H new ATOM 0 HG LEU A 26 -3.316 1.112 0.654 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.579 0.314 1.220 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.771 -0.763 0.057 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -4.890 -1.232 1.770 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.269 1.569 2.880 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -3.531 0.072 3.497 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -2.498 1.408 2.939 1.00 1.00 H new ATOM 80 N ILE A 27 1.048 -1.345 2.214 1.00 0.50 N ATOM 81 CA ILE A 27 2.179 -2.242 2.056 1.00 0.49 C ATOM 82 C ILE A 27 2.069 -3.446 2.986 1.00 0.51 C ATOM 83 O ILE A 27 1.741 -3.315 4.167 1.00 0.72 O ATOM 84 CB ILE A 27 3.520 -1.502 2.296 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.704 -2.461 2.121 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.544 -0.859 3.678 1.00 1.00 C ATOM 87 CD1 ILE A 27 6.054 -1.793 2.259 1.00 0.96 C ATOM 0 H ILE A 27 0.998 -0.876 3.118 1.00 0.50 H new ATOM 0 HA ILE A 27 2.162 -2.602 1.027 1.00 0.49 H new ATOM 0 HB ILE A 27 3.610 -0.709 1.553 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.626 -3.259 2.860 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.639 -2.929 1.139 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.494 -0.346 3.824 1.00 1.00 H new ATOM 0 HG22 ILE A 27 2.728 -0.141 3.760 1.00 1.00 H new ATOM 0 HG23 ILE A 27 3.427 -1.630 4.440 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.842 -2.534 2.123 1.00 0.96 H new ATOM 0 HD12 ILE A 27 6.154 -1.014 1.503 1.00 0.96 H new ATOM 0 HD13 ILE A 27 6.141 -1.349 3.251 1.00 0.96 H new ATOM 99 N TRP A 28 2.318 -4.623 2.435 1.00 0.45 N ATOM 100 CA TRP A 28 2.381 -5.837 3.226 1.00 0.48 C ATOM 101 C TRP A 28 3.682 -6.566 2.933 1.00 0.48 C ATOM 102 O TRP A 28 3.827 -7.221 1.901 1.00 0.49 O ATOM 103 CB TRP A 28 1.187 -6.756 2.950 1.00 0.56 C ATOM 104 CG TRP A 28 1.133 -7.940 3.872 1.00 0.89 C ATOM 105 CD1 TRP A 28 0.566 -7.982 5.113 1.00 1.53 C ATOM 106 CD2 TRP A 28 1.674 -9.248 3.634 1.00 1.15 C ATOM 107 NE1 TRP A 28 0.717 -9.232 5.659 1.00 2.09 N ATOM 108 CE2 TRP A 28 1.393 -10.027 4.772 1.00 1.83 C ATOM 109 CE3 TRP A 28 2.366 -9.839 2.571 1.00 1.19 C ATOM 110 CZ2 TRP A 28 1.781 -11.360 4.877 1.00 2.26 C ATOM 111 CZ3 TRP A 28 2.750 -11.162 2.679 1.00 1.61 C ATOM 112 CH2 TRP A 28 2.456 -11.909 3.823 1.00 2.06 C ATOM 0 H TRP A 28 2.480 -4.762 1.438 1.00 0.45 H new ATOM 0 HA TRP A 28 2.343 -5.559 4.279 1.00 0.48 H new ATOM 0 HB2 TRP A 28 0.265 -6.184 3.048 1.00 0.56 H new ATOM 0 HB3 TRP A 28 1.236 -7.107 1.919 1.00 0.56 H new ATOM 0 HD1 TRP A 28 0.071 -7.152 5.595 1.00 1.53 H new ATOM 0 HE1 TRP A 28 0.380 -9.522 6.577 1.00 2.09 H new ATOM 0 HE3 TRP A 28 2.596 -9.271 1.682 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 1.557 -11.940 5.760 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 3.287 -11.627 1.865 1.00 1.61 H new ATOM 0 HH2 TRP A 28 2.769 -12.941 3.875 1.00 2.06 H new ATOM 123 N SER A 29 4.641 -6.395 3.817 1.00 0.50 N ATOM 124 CA SER A 29 5.911 -7.088 3.718 1.00 0.54 C ATOM 125 C SER A 29 6.373 -7.479 5.111 1.00 0.60 C ATOM 126 O SER A 29 5.898 -6.915 6.098 1.00 0.87 O ATOM 127 CB SER A 29 6.951 -6.177 3.056 1.00 0.57 C ATOM 128 OG SER A 29 6.452 -5.630 1.848 1.00 1.29 O ATOM 0 H SER A 29 4.565 -5.774 4.623 1.00 0.50 H new ATOM 0 HA SER A 29 5.793 -7.984 3.109 1.00 0.54 H new ATOM 0 HB2 SER A 29 7.222 -5.372 3.739 1.00 0.57 H new ATOM 0 HB3 SER A 29 7.860 -6.744 2.855 1.00 0.57 H new ATOM 0 HG SER A 29 7.133 -5.051 1.445 1.00 1.29 H new ATOM 134 N ASN A 30 7.272 -8.443 5.211 1.00 0.65 N ATOM 135 CA ASN A 30 7.917 -8.699 6.484 1.00 0.69 C ATOM 136 C ASN A 30 9.416 -8.543 6.327 1.00 0.68 C ATOM 137 O ASN A 30 10.174 -9.516 6.343 1.00 0.75 O ATOM 138 CB ASN A 30 7.580 -10.102 7.002 1.00 0.81 C ATOM 139 CG ASN A 30 6.147 -10.218 7.484 1.00 1.55 C ATOM 140 OD1 ASN A 30 5.847 -9.930 8.645 1.00 2.33 O ATOM 141 ND2 ASN A 30 5.253 -10.638 6.604 1.00 2.23 N ATOM 0 H ASN A 30 7.566 -9.048 4.444 1.00 0.65 H new ATOM 0 HA ASN A 30 7.549 -7.978 7.214 1.00 0.69 H new ATOM 0 HB2 ASN A 30 7.752 -10.829 6.208 1.00 0.81 H new ATOM 0 HB3 ASN A 30 8.256 -10.356 7.819 1.00 0.81 H new ATOM 0 HD21 ASN A 30 4.275 -10.734 6.877 1.00 2.23 H new ATOM 0 HD22 ASN A 30 5.542 -10.866 5.653 1.00 2.23 H new ATOM 148 N ASP A 31 9.825 -7.299 6.148 1.00 0.63 N ATOM 149 CA ASP A 31 11.227 -6.926 6.133 1.00 0.64 C ATOM 150 C ASP A 31 11.496 -5.940 7.261 1.00 0.65 C ATOM 151 O ASP A 31 10.601 -5.192 7.649 1.00 0.78 O ATOM 152 CB ASP A 31 11.590 -6.312 4.785 1.00 0.67 C ATOM 153 CG ASP A 31 13.086 -6.244 4.561 1.00 0.72 C ATOM 154 OD1 ASP A 31 13.710 -5.256 4.983 1.00 1.45 O ATOM 155 OD2 ASP A 31 13.641 -7.184 3.962 1.00 1.13 O ATOM 0 H ASP A 31 9.188 -6.514 6.008 1.00 0.63 H new ATOM 0 HA ASP A 31 11.843 -7.813 6.281 1.00 0.64 H new ATOM 0 HB2 ASP A 31 11.133 -6.898 3.988 1.00 0.67 H new ATOM 0 HB3 ASP A 31 11.171 -5.308 4.722 1.00 0.67 H new ATOM 160 N LYS A 32 12.709 -5.923 7.784 1.00 0.69 N ATOM 161 CA LYS A 32 13.071 -4.944 8.805 1.00 0.77 C ATOM 162 C LYS A 32 13.405 -3.596 8.168 1.00 0.71 C ATOM 163 O LYS A 32 12.947 -2.542 8.621 1.00 0.77 O ATOM 164 CB LYS A 32 14.269 -5.426 9.630 1.00 0.97 C ATOM 165 CG LYS A 32 14.044 -6.728 10.391 1.00 1.52 C ATOM 166 CD LYS A 32 12.895 -6.626 11.385 1.00 2.06 C ATOM 167 CE LYS A 32 11.592 -7.148 10.798 1.00 2.28 C ATOM 168 NZ LYS A 32 11.684 -8.586 10.427 1.00 3.05 N ATOM 0 H LYS A 32 13.456 -6.567 7.525 1.00 0.69 H new ATOM 0 HA LYS A 32 12.211 -4.827 9.465 1.00 0.77 H new ATOM 0 HB2 LYS A 32 15.122 -5.555 8.964 1.00 0.97 H new ATOM 0 HB3 LYS A 32 14.537 -4.647 10.344 1.00 0.97 H new ATOM 0 HG2 LYS A 32 13.838 -7.530 9.682 1.00 1.52 H new ATOM 0 HG3 LYS A 32 14.957 -6.999 10.921 1.00 1.52 H new ATOM 0 HD2 LYS A 32 13.141 -7.191 12.284 1.00 2.06 H new ATOM 0 HD3 LYS A 32 12.767 -5.587 11.687 1.00 2.06 H new ATOM 0 HE2 LYS A 32 10.788 -7.011 11.521 1.00 2.28 H new ATOM 0 HE3 LYS A 32 11.331 -6.562 9.917 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 10.748 -9.029 10.522 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 12.009 -8.670 9.443 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 12.359 -9.065 11.057 1.00 3.05 H new ATOM 182 N LYS A 33 14.181 -3.641 7.099 1.00 0.71 N ATOM 183 CA LYS A 33 14.731 -2.444 6.487 1.00 0.75 C ATOM 184 C LYS A 33 13.730 -1.816 5.522 1.00 0.64 C ATOM 185 O LYS A 33 13.506 -0.605 5.555 1.00 0.63 O ATOM 186 CB LYS A 33 16.032 -2.809 5.764 1.00 0.94 C ATOM 187 CG LYS A 33 16.811 -1.621 5.227 1.00 1.55 C ATOM 188 CD LYS A 33 18.150 -2.064 4.657 1.00 2.09 C ATOM 189 CE LYS A 33 18.953 -0.891 4.120 1.00 2.72 C ATOM 190 NZ LYS A 33 18.331 -0.291 2.910 1.00 3.16 N ATOM 0 H LYS A 33 14.447 -4.507 6.631 1.00 0.71 H new ATOM 0 HA LYS A 33 14.942 -1.706 7.261 1.00 0.75 H new ATOM 0 HB2 LYS A 33 16.670 -3.365 6.451 1.00 0.94 H new ATOM 0 HB3 LYS A 33 15.797 -3.477 4.936 1.00 0.94 H new ATOM 0 HG2 LYS A 33 16.230 -1.119 4.453 1.00 1.55 H new ATOM 0 HG3 LYS A 33 16.973 -0.896 6.025 1.00 1.55 H new ATOM 0 HD2 LYS A 33 18.724 -2.573 5.432 1.00 2.09 H new ATOM 0 HD3 LYS A 33 17.983 -2.786 3.858 1.00 2.09 H new ATOM 0 HE2 LYS A 33 19.044 -0.130 4.895 1.00 2.72 H new ATOM 0 HE3 LYS A 33 19.963 -1.224 3.880 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 18.970 0.425 2.510 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 18.159 -1.034 2.203 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 17.428 0.156 3.169 1.00 3.16 H new ATOM 204 N LEU A 34 13.116 -2.657 4.694 1.00 0.62 N ATOM 205 CA LEU A 34 12.169 -2.215 3.669 1.00 0.61 C ATOM 206 C LEU A 34 11.059 -1.370 4.287 1.00 0.54 C ATOM 207 O LEU A 34 10.894 -0.204 3.938 1.00 0.61 O ATOM 208 CB LEU A 34 11.570 -3.448 2.959 1.00 0.66 C ATOM 209 CG LEU A 34 10.975 -3.250 1.545 1.00 0.80 C ATOM 210 CD1 LEU A 34 10.450 -4.574 1.009 1.00 1.22 C ATOM 211 CD2 LEU A 34 9.856 -2.219 1.545 1.00 1.59 C ATOM 0 H LEU A 34 13.260 -3.667 4.713 1.00 0.62 H new ATOM 0 HA LEU A 34 12.697 -1.599 2.942 1.00 0.61 H new ATOM 0 HB2 LEU A 34 12.350 -4.206 2.891 1.00 0.66 H new ATOM 0 HB3 LEU A 34 10.786 -3.854 3.598 1.00 0.66 H new ATOM 0 HG LEU A 34 11.773 -2.882 0.900 1.00 0.80 H new ATOM 0 HD11 LEU A 34 10.033 -4.424 0.013 1.00 1.22 H new ATOM 0 HD12 LEU A 34 11.266 -5.294 0.956 1.00 1.22 H new ATOM 0 HD13 LEU A 34 9.674 -4.954 1.674 1.00 1.22 H new ATOM 0 HD21 LEU A 34 9.464 -2.108 0.534 1.00 1.59 H new ATOM 0 HD22 LEU A 34 9.058 -2.549 2.210 1.00 1.59 H new ATOM 0 HD23 LEU A 34 10.244 -1.261 1.891 1.00 1.59 H new ATOM 223 N ILE A 35 10.313 -1.959 5.215 1.00 0.48 N ATOM 224 CA ILE A 35 9.165 -1.286 5.818 1.00 0.49 C ATOM 225 C ILE A 35 9.580 0.021 6.487 1.00 0.48 C ATOM 226 O ILE A 35 8.892 1.039 6.368 1.00 0.53 O ATOM 227 CB ILE A 35 8.470 -2.187 6.859 1.00 0.55 C ATOM 228 CG1 ILE A 35 8.063 -3.518 6.226 1.00 0.61 C ATOM 229 CG2 ILE A 35 7.250 -1.483 7.443 1.00 0.64 C ATOM 230 CD1 ILE A 35 7.457 -4.493 7.212 1.00 1.01 C ATOM 0 H ILE A 35 10.481 -2.901 5.567 1.00 0.48 H new ATOM 0 HA ILE A 35 8.466 -1.069 5.011 1.00 0.49 H new ATOM 0 HB ILE A 35 9.174 -2.388 7.666 1.00 0.55 H new ATOM 0 HG12 ILE A 35 7.346 -3.328 5.427 1.00 0.61 H new ATOM 0 HG13 ILE A 35 8.939 -3.976 5.766 1.00 0.61 H new ATOM 0 HG21 ILE A 35 6.771 -2.133 8.176 1.00 0.64 H new ATOM 0 HG22 ILE A 35 7.561 -0.557 7.927 1.00 0.64 H new ATOM 0 HG23 ILE A 35 6.544 -1.255 6.644 1.00 0.64 H new ATOM 0 HD11 ILE A 35 7.192 -5.415 6.695 1.00 1.01 H new ATOM 0 HD12 ILE A 35 8.180 -4.712 7.998 1.00 1.01 H new ATOM 0 HD13 ILE A 35 6.562 -4.055 7.654 1.00 1.01 H new ATOM 242 N GLU A 36 10.717 -0.009 7.167 1.00 0.50 N ATOM 243 CA GLU A 36 11.191 1.145 7.912 1.00 0.53 C ATOM 244 C GLU A 36 11.563 2.303 6.981 1.00 0.48 C ATOM 245 O GLU A 36 11.255 3.460 7.270 1.00 0.51 O ATOM 246 CB GLU A 36 12.384 0.744 8.782 1.00 0.66 C ATOM 247 CG GLU A 36 12.856 1.834 9.728 1.00 1.22 C ATOM 248 CD GLU A 36 13.920 1.340 10.683 1.00 1.73 C ATOM 249 OE1 GLU A 36 15.091 1.222 10.268 1.00 2.62 O ATOM 250 OE2 GLU A 36 13.594 1.063 11.855 1.00 2.01 O ATOM 0 H GLU A 36 11.329 -0.823 7.217 1.00 0.50 H new ATOM 0 HA GLU A 36 10.382 1.494 8.553 1.00 0.53 H new ATOM 0 HB2 GLU A 36 12.115 -0.137 9.365 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.212 0.457 8.134 1.00 0.66 H new ATOM 0 HG2 GLU A 36 13.249 2.670 9.149 1.00 1.22 H new ATOM 0 HG3 GLU A 36 12.007 2.212 10.297 1.00 1.22 H new ATOM 257 N GLU A 37 12.203 2.000 5.855 1.00 0.48 N ATOM 258 CA GLU A 37 12.648 3.053 4.951 1.00 0.51 C ATOM 259 C GLU A 37 11.551 3.441 3.956 1.00 0.44 C ATOM 260 O GLU A 37 11.554 4.550 3.419 1.00 0.48 O ATOM 261 CB GLU A 37 13.935 2.653 4.221 1.00 0.65 C ATOM 262 CG GLU A 37 13.769 1.551 3.191 1.00 0.80 C ATOM 263 CD GLU A 37 15.074 1.230 2.494 1.00 0.91 C ATOM 264 OE1 GLU A 37 15.825 0.373 2.994 1.00 1.61 O ATOM 265 OE2 GLU A 37 15.365 1.840 1.442 1.00 1.55 O ATOM 0 H GLU A 37 12.422 1.051 5.551 1.00 0.48 H new ATOM 0 HA GLU A 37 12.867 3.931 5.559 1.00 0.51 H new ATOM 0 HB2 GLU A 37 14.344 3.534 3.726 1.00 0.65 H new ATOM 0 HB3 GLU A 37 14.670 2.332 4.960 1.00 0.65 H new ATOM 0 HG2 GLU A 37 13.387 0.654 3.678 1.00 0.80 H new ATOM 0 HG3 GLU A 37 13.027 1.853 2.452 1.00 0.80 H new ATOM 272 N ALA A 38 10.610 2.536 3.720 1.00 0.40 N ATOM 273 CA ALA A 38 9.473 2.827 2.852 1.00 0.42 C ATOM 274 C ALA A 38 8.580 3.892 3.477 1.00 0.39 C ATOM 275 O ALA A 38 8.173 4.847 2.810 1.00 0.42 O ATOM 276 CB ALA A 38 8.672 1.564 2.577 1.00 0.50 C ATOM 0 H ALA A 38 10.610 1.596 4.116 1.00 0.40 H new ATOM 0 HA ALA A 38 9.857 3.207 1.905 1.00 0.42 H new ATOM 0 HB1 ALA A 38 7.829 1.802 1.928 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.310 0.828 2.088 1.00 0.50 H new ATOM 0 HB3 ALA A 38 8.302 1.156 3.518 1.00 0.50 H new ATOM 282 N ARG A 39 8.295 3.736 4.766 1.00 0.41 N ATOM 283 CA ARG A 39 7.409 4.658 5.462 1.00 0.50 C ATOM 284 C ARG A 39 8.028 6.051 5.565 1.00 0.46 C ATOM 285 O ARG A 39 7.325 7.051 5.443 1.00 0.52 O ATOM 286 CB ARG A 39 7.049 4.138 6.857 1.00 0.62 C ATOM 287 CG ARG A 39 8.212 4.123 7.833 1.00 1.18 C ATOM 288 CD ARG A 39 7.751 3.849 9.252 1.00 1.43 C ATOM 289 NE ARG A 39 7.220 2.499 9.415 1.00 1.88 N ATOM 290 CZ ARG A 39 7.775 1.577 10.199 1.00 2.58 C ATOM 291 NH1 ARG A 39 8.884 1.859 10.876 1.00 2.84 N ATOM 292 NH2 ARG A 39 7.222 0.377 10.311 1.00 3.48 N ATOM 0 H ARG A 39 8.664 2.983 5.346 1.00 0.41 H new ATOM 0 HA ARG A 39 6.494 4.730 4.874 1.00 0.50 H new ATOM 0 HB2 ARG A 39 6.251 4.756 7.269 1.00 0.62 H new ATOM 0 HB3 ARG A 39 6.653 3.127 6.765 1.00 0.62 H new ATOM 0 HG2 ARG A 39 8.931 3.361 7.531 1.00 1.18 H new ATOM 0 HG3 ARG A 39 8.729 5.082 7.797 1.00 1.18 H new ATOM 0 HD2 ARG A 39 8.587 3.993 9.937 1.00 1.43 H new ATOM 0 HD3 ARG A 39 6.985 4.573 9.528 1.00 1.43 H new ATOM 0 HE ARG A 39 6.376 2.248 8.899 1.00 1.88 H new ATOM 0 HH11 ARG A 39 9.310 2.782 10.795 1.00 2.84 H new ATOM 0 HH12 ARG A 39 9.309 1.152 11.476 1.00 2.84 H new ATOM 0 HH21 ARG A 39 6.369 0.158 9.796 1.00 3.48 H new ATOM 0 HH22 ARG A 39 7.649 -0.327 10.912 1.00 3.48 H new ATOM 306 N LYS A 40 9.343 6.119 5.770 1.00 0.45 N ATOM 307 CA LYS A 40 10.011 7.407 5.917 1.00 0.49 C ATOM 308 C LYS A 40 10.095 8.116 4.572 1.00 0.42 C ATOM 309 O LYS A 40 10.129 9.343 4.508 1.00 0.47 O ATOM 310 CB LYS A 40 11.408 7.249 6.531 1.00 0.62 C ATOM 311 CG LYS A 40 12.414 6.548 5.632 1.00 1.06 C ATOM 312 CD LYS A 40 13.728 6.283 6.355 1.00 1.58 C ATOM 313 CE LYS A 40 14.451 7.572 6.726 1.00 2.12 C ATOM 314 NZ LYS A 40 14.945 8.301 5.529 1.00 2.95 N ATOM 0 H LYS A 40 9.958 5.308 5.837 1.00 0.45 H new ATOM 0 HA LYS A 40 9.418 8.015 6.599 1.00 0.49 H new ATOM 0 HB2 LYS A 40 11.793 8.236 6.786 1.00 0.62 H new ATOM 0 HB3 LYS A 40 11.321 6.690 7.463 1.00 0.62 H new ATOM 0 HG2 LYS A 40 11.994 5.605 5.283 1.00 1.06 H new ATOM 0 HG3 LYS A 40 12.601 7.160 4.749 1.00 1.06 H new ATOM 0 HD2 LYS A 40 13.534 5.705 7.258 1.00 1.58 H new ATOM 0 HD3 LYS A 40 14.374 5.676 5.721 1.00 1.58 H new ATOM 0 HE2 LYS A 40 13.776 8.216 7.289 1.00 2.12 H new ATOM 0 HE3 LYS A 40 15.291 7.340 7.381 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 15.544 9.096 5.830 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 15.501 7.654 4.933 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 14.136 8.664 4.985 1.00 2.95 H new ATOM 328 N MET A 41 10.122 7.335 3.500 1.00 0.39 N ATOM 329 CA MET A 41 10.108 7.890 2.156 1.00 0.41 C ATOM 330 C MET A 41 8.745 8.505 1.880 1.00 0.42 C ATOM 331 O MET A 41 8.639 9.603 1.333 1.00 0.52 O ATOM 332 CB MET A 41 10.416 6.805 1.120 1.00 0.48 C ATOM 333 CG MET A 41 10.602 7.339 -0.291 1.00 0.69 C ATOM 334 SD MET A 41 12.001 8.471 -0.421 1.00 1.10 S ATOM 335 CE MET A 41 11.954 8.863 -2.168 1.00 1.55 C ATOM 0 H MET A 41 10.154 6.316 3.537 1.00 0.39 H new ATOM 0 HA MET A 41 10.877 8.659 2.082 1.00 0.41 H new ATOM 0 HB2 MET A 41 11.320 6.275 1.420 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.605 6.076 1.119 1.00 0.48 H new ATOM 0 HG2 MET A 41 10.749 6.504 -0.976 1.00 0.69 H new ATOM 0 HG3 MET A 41 9.693 7.852 -0.605 1.00 0.69 H new ATOM 0 HE1 MET A 41 12.761 9.556 -2.407 1.00 1.55 H new ATOM 0 HE2 MET A 41 12.076 7.949 -2.749 1.00 1.55 H new ATOM 0 HE3 MET A 41 10.996 9.323 -2.412 1.00 1.55 H new ATOM 345 N ALA A 42 7.705 7.790 2.285 1.00 0.40 N ATOM 346 CA ALA A 42 6.343 8.269 2.153 1.00 0.49 C ATOM 347 C ALA A 42 6.120 9.494 3.031 1.00 0.51 C ATOM 348 O ALA A 42 5.563 10.492 2.586 1.00 0.59 O ATOM 349 CB ALA A 42 5.362 7.163 2.511 1.00 0.58 C ATOM 0 H ALA A 42 7.784 6.867 2.712 1.00 0.40 H new ATOM 0 HA ALA A 42 6.173 8.560 1.116 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.342 7.534 2.408 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.509 6.316 1.841 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.531 6.846 3.540 1.00 0.58 H new ATOM 355 N GLU A 43 6.585 9.419 4.274 1.00 0.50 N ATOM 356 CA GLU A 43 6.436 10.516 5.221 1.00 0.60 C ATOM 357 C GLU A 43 7.140 11.770 4.710 1.00 0.62 C ATOM 358 O GLU A 43 6.627 12.879 4.847 1.00 0.73 O ATOM 359 CB GLU A 43 6.995 10.118 6.590 1.00 0.67 C ATOM 360 CG GLU A 43 6.687 11.121 7.690 1.00 0.97 C ATOM 361 CD GLU A 43 7.219 10.690 9.041 1.00 1.62 C ATOM 362 OE1 GLU A 43 6.527 9.921 9.742 1.00 2.16 O ATOM 363 OE2 GLU A 43 8.323 11.126 9.418 1.00 2.38 O ATOM 0 H GLU A 43 7.071 8.604 4.650 1.00 0.50 H new ATOM 0 HA GLU A 43 5.373 10.735 5.325 1.00 0.60 H new ATOM 0 HB2 GLU A 43 6.587 9.147 6.871 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.076 9.999 6.511 1.00 0.67 H new ATOM 0 HG2 GLU A 43 7.118 12.087 7.426 1.00 0.97 H new ATOM 0 HG3 GLU A 43 5.608 11.261 7.757 1.00 0.97 H new ATOM 370 N LYS A 44 8.308 11.584 4.100 1.00 0.58 N ATOM 371 CA LYS A 44 9.074 12.693 3.552 1.00 0.66 C ATOM 372 C LYS A 44 8.283 13.422 2.469 1.00 0.66 C ATOM 373 O LYS A 44 8.352 14.648 2.354 1.00 0.70 O ATOM 374 CB LYS A 44 10.396 12.185 2.980 1.00 0.76 C ATOM 375 CG LYS A 44 11.317 13.294 2.513 1.00 1.29 C ATOM 376 CD LYS A 44 12.662 12.754 2.067 1.00 1.69 C ATOM 377 CE LYS A 44 13.636 13.886 1.823 1.00 2.09 C ATOM 378 NZ LYS A 44 15.010 13.395 1.544 1.00 2.20 N ATOM 0 H LYS A 44 8.744 10.670 3.974 1.00 0.58 H new ATOM 0 HA LYS A 44 9.278 13.397 4.359 1.00 0.66 H new ATOM 0 HB2 LYS A 44 10.908 11.593 3.739 1.00 0.76 H new ATOM 0 HB3 LYS A 44 10.189 11.519 2.143 1.00 0.76 H new ATOM 0 HG2 LYS A 44 10.849 13.833 1.689 1.00 1.29 H new ATOM 0 HG3 LYS A 44 11.462 14.011 3.321 1.00 1.29 H new ATOM 0 HD2 LYS A 44 13.060 12.082 2.827 1.00 1.69 H new ATOM 0 HD3 LYS A 44 12.541 12.168 1.156 1.00 1.69 H new ATOM 0 HE2 LYS A 44 13.289 14.486 0.982 1.00 2.09 H new ATOM 0 HE3 LYS A 44 13.656 14.540 2.695 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 15.642 14.205 1.383 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 15.353 12.844 2.356 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 14.998 12.792 0.697 1.00 2.20 H new ATOM 392 N ALA A 45 7.521 12.666 1.690 1.00 0.67 N ATOM 393 CA ALA A 45 6.713 13.237 0.619 1.00 0.74 C ATOM 394 C ALA A 45 5.292 13.526 1.100 1.00 0.73 C ATOM 395 O ALA A 45 4.405 13.828 0.300 1.00 0.81 O ATOM 396 CB ALA A 45 6.696 12.303 -0.582 1.00 0.82 C ATOM 0 H ALA A 45 7.445 11.653 1.780 1.00 0.67 H new ATOM 0 HA ALA A 45 7.162 14.183 0.318 1.00 0.74 H new ATOM 0 HB1 ALA A 45 6.089 12.741 -1.375 1.00 0.82 H new ATOM 0 HB2 ALA A 45 7.714 12.156 -0.943 1.00 0.82 H new ATOM 0 HB3 ALA A 45 6.273 11.342 -0.290 1.00 0.82 H new ATOM 402 N ASN A 46 5.095 13.421 2.415 1.00 0.69 N ATOM 403 CA ASN A 46 3.806 13.698 3.057 1.00 0.72 C ATOM 404 C ASN A 46 2.723 12.748 2.540 1.00 0.67 C ATOM 405 O ASN A 46 1.571 13.134 2.340 1.00 0.84 O ATOM 406 CB ASN A 46 3.390 15.157 2.831 1.00 0.87 C ATOM 407 CG ASN A 46 2.244 15.591 3.727 1.00 1.46 C ATOM 408 OD1 ASN A 46 2.134 15.160 4.880 1.00 2.13 O ATOM 409 ND2 ASN A 46 1.373 16.434 3.199 1.00 2.13 N ATOM 0 H ASN A 46 5.826 13.141 3.068 1.00 0.69 H new ATOM 0 HA ASN A 46 3.922 13.534 4.128 1.00 0.72 H new ATOM 0 HB2 ASN A 46 4.248 15.806 3.008 1.00 0.87 H new ATOM 0 HB3 ASN A 46 3.100 15.289 1.789 1.00 0.87 H new ATOM 0 HD21 ASN A 46 0.574 16.752 3.748 1.00 2.13 H new ATOM 0 HD22 ASN A 46 1.500 16.766 2.243 1.00 2.13 H new ATOM 416 N LEU A 47 3.107 11.503 2.322 1.00 0.51 N ATOM 417 CA LEU A 47 2.187 10.492 1.831 1.00 0.51 C ATOM 418 C LEU A 47 1.642 9.666 2.986 1.00 0.46 C ATOM 419 O LEU A 47 2.182 9.689 4.094 1.00 0.56 O ATOM 420 CB LEU A 47 2.893 9.566 0.840 1.00 0.58 C ATOM 421 CG LEU A 47 3.539 10.255 -0.360 1.00 0.69 C ATOM 422 CD1 LEU A 47 4.316 9.248 -1.188 1.00 1.00 C ATOM 423 CD2 LEU A 47 2.484 10.943 -1.213 1.00 1.18 C ATOM 0 H LEU A 47 4.057 11.166 2.479 1.00 0.51 H new ATOM 0 HA LEU A 47 1.363 10.998 1.328 1.00 0.51 H new ATOM 0 HB2 LEU A 47 3.663 9.010 1.375 1.00 0.58 H new ATOM 0 HB3 LEU A 47 2.170 8.837 0.473 1.00 0.58 H new ATOM 0 HG LEU A 47 4.231 11.013 0.007 1.00 0.69 H new ATOM 0 HD11 LEU A 47 4.772 9.752 -2.040 1.00 1.00 H new ATOM 0 HD12 LEU A 47 5.096 8.796 -0.574 1.00 1.00 H new ATOM 0 HD13 LEU A 47 3.640 8.471 -1.545 1.00 1.00 H new ATOM 0 HD21 LEU A 47 2.963 11.428 -2.063 1.00 1.18 H new ATOM 0 HD22 LEU A 47 1.768 10.204 -1.573 1.00 1.18 H new ATOM 0 HD23 LEU A 47 1.963 11.691 -0.615 1.00 1.18 H new ATOM 435 N TYR A 48 0.577 8.935 2.717 1.00 0.49 N ATOM 436 CA TYR A 48 -0.014 8.054 3.711 1.00 0.54 C ATOM 437 C TYR A 48 0.267 6.607 3.337 1.00 0.46 C ATOM 438 O TYR A 48 0.184 6.238 2.163 1.00 0.58 O ATOM 439 CB TYR A 48 -1.531 8.295 3.824 1.00 0.64 C ATOM 440 CG TYR A 48 -1.898 9.677 4.324 1.00 0.77 C ATOM 441 CD1 TYR A 48 -1.917 10.770 3.464 1.00 1.51 C ATOM 442 CD2 TYR A 48 -2.231 9.887 5.656 1.00 1.31 C ATOM 443 CE1 TYR A 48 -2.255 12.031 3.918 1.00 1.61 C ATOM 444 CE2 TYR A 48 -2.570 11.144 6.117 1.00 1.43 C ATOM 445 CZ TYR A 48 -2.581 12.212 5.245 1.00 1.09 C ATOM 446 OH TYR A 48 -2.923 13.465 5.702 1.00 1.28 O ATOM 0 H TYR A 48 0.100 8.933 1.815 1.00 0.49 H new ATOM 0 HA TYR A 48 0.432 8.268 4.682 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -1.987 8.140 2.846 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -1.958 7.551 4.496 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -1.663 10.631 2.423 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -2.225 9.053 6.343 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -2.264 12.869 3.237 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -2.825 11.290 7.156 1.00 1.43 H new ATOM 0 HH TYR A 48 -3.126 13.420 6.660 1.00 1.28 H new ATOM 456 N LEU A 49 0.601 5.793 4.324 1.00 0.46 N ATOM 457 CA LEU A 49 0.909 4.391 4.079 1.00 0.46 C ATOM 458 C LEU A 49 0.528 3.543 5.278 1.00 0.50 C ATOM 459 O LEU A 49 0.750 3.926 6.428 1.00 0.61 O ATOM 460 CB LEU A 49 2.393 4.175 3.634 1.00 0.66 C ATOM 461 CG LEU A 49 3.544 4.362 4.672 1.00 0.81 C ATOM 462 CD1 LEU A 49 3.419 5.655 5.461 1.00 1.76 C ATOM 463 CD2 LEU A 49 3.642 3.166 5.610 1.00 1.35 C ATOM 0 H LEU A 49 0.666 6.077 5.302 1.00 0.46 H new ATOM 0 HA LEU A 49 0.302 4.059 3.237 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.471 3.162 3.239 1.00 0.66 H new ATOM 0 HB3 LEU A 49 2.587 4.856 2.805 1.00 0.66 H new ATOM 0 HG LEU A 49 4.468 4.428 4.097 1.00 0.81 H new ATOM 0 HD11 LEU A 49 4.246 5.732 6.167 1.00 1.76 H new ATOM 0 HD12 LEU A 49 3.446 6.503 4.777 1.00 1.76 H new ATOM 0 HD13 LEU A 49 2.475 5.659 6.006 1.00 1.76 H new ATOM 0 HD21 LEU A 49 4.453 3.327 6.321 1.00 1.35 H new ATOM 0 HD22 LEU A 49 2.703 3.050 6.151 1.00 1.35 H new ATOM 0 HD23 LEU A 49 3.841 2.264 5.031 1.00 1.35 H new ATOM 475 N LEU A 50 -0.075 2.400 4.997 1.00 0.52 N ATOM 476 CA LEU A 50 -0.616 1.538 6.031 1.00 0.63 C ATOM 477 C LEU A 50 -0.198 0.095 5.797 1.00 0.69 C ATOM 478 O LEU A 50 0.092 -0.302 4.668 1.00 0.69 O ATOM 479 CB LEU A 50 -2.144 1.643 6.051 1.00 0.77 C ATOM 480 CG LEU A 50 -2.697 3.047 6.310 1.00 0.81 C ATOM 481 CD1 LEU A 50 -4.205 3.070 6.130 1.00 1.24 C ATOM 482 CD2 LEU A 50 -2.321 3.518 7.707 1.00 1.48 C ATOM 0 H LEU A 50 -0.202 2.046 4.049 1.00 0.52 H new ATOM 0 HA LEU A 50 -0.221 1.861 6.994 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.529 1.289 5.095 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -2.529 0.971 6.818 1.00 0.77 H new ATOM 0 HG LEU A 50 -2.254 3.729 5.584 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -4.579 4.076 6.318 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -4.454 2.775 5.111 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -4.666 2.375 6.832 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -2.722 4.518 7.874 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -2.736 2.832 8.446 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -1.236 3.542 7.803 1.00 1.48 H new ATOM 494 N THR A 51 -0.154 -0.672 6.869 1.00 0.85 N ATOM 495 CA THR A 51 0.183 -2.083 6.795 1.00 1.00 C ATOM 496 C THR A 51 -1.094 -2.915 6.872 1.00 1.38 C ATOM 497 O THR A 51 -2.077 -2.493 7.486 1.00 2.04 O ATOM 498 CB THR A 51 1.148 -2.476 7.933 1.00 1.42 C ATOM 499 OG1 THR A 51 2.147 -1.458 8.084 1.00 1.86 O ATOM 500 CG2 THR A 51 1.830 -3.806 7.638 1.00 2.07 C ATOM 0 H THR A 51 -0.350 -0.338 7.813 1.00 0.85 H new ATOM 0 HA THR A 51 0.684 -2.277 5.847 1.00 1.00 H new ATOM 0 HB THR A 51 0.571 -2.578 8.852 1.00 1.42 H new ATOM 0 HG1 THR A 51 2.760 -1.706 8.808 1.00 1.86 H new ATOM 0 HG21 THR A 51 2.504 -4.058 8.456 1.00 2.07 H new ATOM 0 HG22 THR A 51 1.076 -4.587 7.535 1.00 2.07 H new ATOM 0 HG23 THR A 51 2.398 -3.726 6.711 1.00 2.07 H new ATOM 508 N LEU A 52 -1.087 -4.092 6.261 1.00 1.17 N ATOM 509 CA LEU A 52 -2.300 -4.886 6.149 1.00 1.66 C ATOM 510 C LEU A 52 -2.450 -5.821 7.338 1.00 1.10 C ATOM 511 O LEU A 52 -1.691 -6.777 7.508 1.00 1.25 O ATOM 512 CB LEU A 52 -2.319 -5.696 4.844 1.00 2.63 C ATOM 513 CG LEU A 52 -2.669 -4.913 3.567 1.00 2.95 C ATOM 514 CD1 LEU A 52 -1.626 -3.851 3.244 1.00 3.41 C ATOM 515 CD2 LEU A 52 -2.832 -5.865 2.394 1.00 3.43 C ATOM 0 H LEU A 52 -0.260 -4.515 5.838 1.00 1.17 H new ATOM 0 HA LEU A 52 -3.141 -4.193 6.138 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -1.338 -6.152 4.709 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -3.036 -6.509 4.955 1.00 2.63 H new ATOM 0 HG LEU A 52 -3.613 -4.399 3.747 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -1.914 -3.323 2.335 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -1.560 -3.142 4.070 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -0.656 -4.326 3.096 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -3.080 -5.298 1.497 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -1.901 -6.408 2.234 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -3.633 -6.573 2.608 1.00 3.43 H new ATOM 527 N GLU A 53 -3.432 -5.497 8.165 1.00 1.35 N ATOM 528 CA GLU A 53 -3.789 -6.281 9.335 1.00 1.60 C ATOM 529 C GLU A 53 -5.165 -5.819 9.790 1.00 1.84 C ATOM 530 O GLU A 53 -6.087 -6.618 9.951 1.00 2.34 O ATOM 531 CB GLU A 53 -2.742 -6.102 10.448 1.00 2.04 C ATOM 532 CG GLU A 53 -2.916 -7.029 11.650 1.00 2.24 C ATOM 533 CD GLU A 53 -4.090 -6.652 12.533 1.00 2.43 C ATOM 534 OE1 GLU A 53 -4.955 -7.517 12.792 1.00 2.97 O ATOM 535 OE2 GLU A 53 -4.166 -5.481 12.955 1.00 2.75 O ATOM 0 H GLU A 53 -4.012 -4.668 8.039 1.00 1.35 H new ATOM 0 HA GLU A 53 -3.813 -7.344 9.094 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -1.751 -6.263 10.024 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -2.776 -5.070 10.796 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -3.050 -8.051 11.296 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -2.003 -7.016 12.246 1.00 2.24 H new ATOM 542 N THR A 54 -5.296 -4.513 9.978 1.00 1.76 N ATOM 543 CA THR A 54 -6.593 -3.906 10.252 1.00 1.96 C ATOM 544 C THR A 54 -7.124 -3.253 8.981 1.00 1.44 C ATOM 545 O THR A 54 -6.598 -2.240 8.525 1.00 1.41 O ATOM 546 CB THR A 54 -6.526 -2.849 11.378 1.00 2.58 C ATOM 547 OG1 THR A 54 -5.682 -3.307 12.441 1.00 2.85 O ATOM 548 CG2 THR A 54 -7.916 -2.573 11.929 1.00 3.30 C ATOM 0 H THR A 54 -4.520 -3.852 9.946 1.00 1.76 H new ATOM 0 HA THR A 54 -7.260 -4.700 10.587 1.00 1.96 H new ATOM 0 HB THR A 54 -6.115 -1.931 10.958 1.00 2.58 H new ATOM 0 HG1 THR A 54 -5.532 -4.271 12.348 1.00 2.85 H new ATOM 0 HG21 THR A 54 -7.852 -1.827 12.721 1.00 3.30 H new ATOM 0 HG22 THR A 54 -8.557 -2.200 11.130 1.00 3.30 H new ATOM 0 HG23 THR A 54 -8.337 -3.494 12.332 1.00 3.30 H new ATOM 556 N ASP A 55 -8.163 -3.846 8.415 1.00 1.58 N ATOM 557 CA ASP A 55 -8.700 -3.381 7.131 1.00 1.57 C ATOM 558 C ASP A 55 -9.682 -2.237 7.315 1.00 1.40 C ATOM 559 O ASP A 55 -9.388 -1.090 6.994 1.00 1.25 O ATOM 560 CB ASP A 55 -9.410 -4.509 6.349 1.00 2.38 C ATOM 561 CG ASP A 55 -8.459 -5.518 5.745 1.00 3.04 C ATOM 562 OD1 ASP A 55 -8.269 -5.482 4.511 1.00 3.66 O ATOM 563 OD2 ASP A 55 -7.922 -6.364 6.488 1.00 3.51 O ATOM 0 H ASP A 55 -8.654 -4.646 8.815 1.00 1.58 H new ATOM 0 HA ASP A 55 -7.837 -3.039 6.560 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -10.098 -5.026 7.018 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -10.010 -4.066 5.554 1.00 2.38 H new ATOM 568 N ASP A 56 -10.839 -2.559 7.860 1.00 1.62 N ATOM 569 CA ASP A 56 -11.959 -1.631 7.902 1.00 1.72 C ATOM 570 C ASP A 56 -11.676 -0.422 8.789 1.00 1.47 C ATOM 571 O ASP A 56 -11.929 0.713 8.392 1.00 1.48 O ATOM 572 CB ASP A 56 -13.217 -2.361 8.375 1.00 2.15 C ATOM 573 CG ASP A 56 -13.128 -2.837 9.813 1.00 2.43 C ATOM 574 OD1 ASP A 56 -12.187 -3.595 10.140 1.00 2.98 O ATOM 575 OD2 ASP A 56 -14.001 -2.462 10.619 1.00 2.88 O ATOM 0 H ASP A 56 -11.032 -3.466 8.285 1.00 1.62 H new ATOM 0 HA ASP A 56 -12.115 -1.253 6.892 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -14.075 -1.697 8.272 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -13.397 -3.218 7.726 1.00 2.15 H new ATOM 580 N LYS A 57 -11.142 -0.655 9.976 1.00 1.39 N ATOM 581 CA LYS A 57 -10.907 0.432 10.917 1.00 1.42 C ATOM 582 C LYS A 57 -9.739 1.305 10.469 1.00 1.20 C ATOM 583 O LYS A 57 -9.875 2.521 10.341 1.00 1.27 O ATOM 584 CB LYS A 57 -10.658 -0.111 12.329 1.00 1.57 C ATOM 585 CG LYS A 57 -11.891 -0.740 12.968 1.00 1.98 C ATOM 586 CD LYS A 57 -11.629 -1.183 14.401 1.00 2.71 C ATOM 587 CE LYS A 57 -10.611 -2.311 14.471 1.00 3.40 C ATOM 588 NZ LYS A 57 -10.372 -2.757 15.869 1.00 4.03 N ATOM 0 H LYS A 57 -10.864 -1.578 10.311 1.00 1.39 H new ATOM 0 HA LYS A 57 -11.805 1.050 10.939 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -9.861 -0.854 12.288 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -10.304 0.701 12.964 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -12.712 -0.023 12.955 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -12.208 -1.598 12.376 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -11.270 -0.334 14.983 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -12.564 -1.510 14.856 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -10.962 -3.154 13.876 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -9.671 -1.979 14.030 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -9.672 -3.526 15.873 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -10.013 -1.959 16.431 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -11.264 -3.098 16.282 1.00 4.03 H new ATOM 602 N LYS A 58 -8.604 0.677 10.202 1.00 1.07 N ATOM 603 CA LYS A 58 -7.392 1.411 9.862 1.00 1.04 C ATOM 604 C LYS A 58 -7.465 1.984 8.449 1.00 0.88 C ATOM 605 O LYS A 58 -7.433 3.200 8.262 1.00 0.87 O ATOM 606 CB LYS A 58 -6.170 0.497 9.998 1.00 1.18 C ATOM 607 CG LYS A 58 -4.865 1.132 9.538 1.00 1.64 C ATOM 608 CD LYS A 58 -3.708 0.143 9.593 1.00 2.25 C ATOM 609 CE LYS A 58 -3.323 -0.206 11.024 1.00 2.61 C ATOM 610 NZ LYS A 58 -2.773 0.964 11.758 1.00 2.99 N ATOM 0 H LYS A 58 -8.496 -0.337 10.214 1.00 1.07 H new ATOM 0 HA LYS A 58 -7.298 2.246 10.557 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -6.068 0.197 11.041 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -6.343 -0.411 9.421 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -4.979 1.502 8.519 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -4.638 1.993 10.166 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -3.983 -0.767 9.060 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -2.845 0.566 9.078 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -4.198 -0.585 11.552 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -2.584 -1.007 11.015 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -2.310 0.640 12.631 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -2.079 1.454 11.159 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -3.546 1.617 11.998 1.00 2.99 H new ATOM 624 N ILE A 59 -7.590 1.105 7.463 1.00 0.83 N ATOM 625 CA ILE A 59 -7.508 1.506 6.064 1.00 0.80 C ATOM 626 C ILE A 59 -8.678 2.398 5.657 1.00 0.74 C ATOM 627 O ILE A 59 -8.471 3.500 5.149 1.00 0.78 O ATOM 628 CB ILE A 59 -7.455 0.274 5.132 1.00 0.90 C ATOM 629 CG1 ILE A 59 -6.214 -0.570 5.438 1.00 1.12 C ATOM 630 CG2 ILE A 59 -7.466 0.698 3.666 1.00 0.96 C ATOM 631 CD1 ILE A 59 -6.186 -1.891 4.699 1.00 1.33 C ATOM 0 H ILE A 59 -7.749 0.108 7.606 1.00 0.83 H new ATOM 0 HA ILE A 59 -6.585 2.077 5.958 1.00 0.80 H new ATOM 0 HB ILE A 59 -8.343 -0.331 5.314 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -5.323 0.001 5.179 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -6.170 -0.761 6.510 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -7.428 -0.187 3.031 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -8.378 1.257 3.456 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -6.600 1.328 3.463 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -5.280 -2.436 4.963 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -7.059 -2.482 4.977 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -6.199 -1.707 3.625 1.00 1.33 H new ATOM 643 N GLU A 60 -9.900 1.932 5.900 1.00 0.77 N ATOM 644 CA GLU A 60 -11.081 2.626 5.399 1.00 0.87 C ATOM 645 C GLU A 60 -11.224 4.015 6.013 1.00 0.85 C ATOM 646 O GLU A 60 -11.461 4.986 5.295 1.00 0.94 O ATOM 647 CB GLU A 60 -12.350 1.815 5.664 1.00 1.04 C ATOM 648 CG GLU A 60 -13.609 2.475 5.126 1.00 1.32 C ATOM 649 CD GLU A 60 -14.872 1.788 5.589 1.00 1.47 C ATOM 650 OE1 GLU A 60 -15.216 0.732 5.035 1.00 1.96 O ATOM 651 OE2 GLU A 60 -15.536 2.309 6.505 1.00 2.01 O ATOM 0 H GLU A 60 -10.097 1.086 6.435 1.00 0.77 H new ATOM 0 HA GLU A 60 -10.948 2.738 4.323 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -12.244 0.829 5.212 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -12.458 1.663 6.738 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -13.631 3.518 5.442 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -13.578 2.473 4.036 1.00 1.32 H new ATOM 658 N ASP A 61 -11.068 4.117 7.331 1.00 0.82 N ATOM 659 CA ASP A 61 -11.291 5.390 8.008 1.00 0.88 C ATOM 660 C ASP A 61 -10.304 6.447 7.530 1.00 0.79 C ATOM 661 O ASP A 61 -10.701 7.554 7.179 1.00 0.83 O ATOM 662 CB ASP A 61 -11.198 5.246 9.525 1.00 0.99 C ATOM 663 CG ASP A 61 -11.482 6.555 10.235 1.00 1.55 C ATOM 664 OD1 ASP A 61 -10.527 7.205 10.706 1.00 2.27 O ATOM 665 OD2 ASP A 61 -12.667 6.946 10.317 1.00 2.05 O ATOM 0 H ASP A 61 -10.793 3.348 7.942 1.00 0.82 H new ATOM 0 HA ASP A 61 -12.302 5.710 7.755 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -11.906 4.489 9.862 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -10.203 4.894 9.796 1.00 0.99 H new ATOM 670 N ILE A 62 -9.025 6.098 7.498 1.00 0.72 N ATOM 671 CA ILE A 62 -7.995 7.032 7.058 1.00 0.69 C ATOM 672 C ILE A 62 -8.205 7.421 5.596 1.00 0.68 C ATOM 673 O ILE A 62 -8.153 8.598 5.245 1.00 0.73 O ATOM 674 CB ILE A 62 -6.578 6.446 7.251 1.00 0.73 C ATOM 675 CG1 ILE A 62 -6.320 6.187 8.738 1.00 0.81 C ATOM 676 CG2 ILE A 62 -5.519 7.383 6.676 1.00 0.77 C ATOM 677 CD1 ILE A 62 -4.963 5.585 9.029 1.00 0.93 C ATOM 0 H ILE A 62 -8.676 5.179 7.770 1.00 0.72 H new ATOM 0 HA ILE A 62 -8.080 7.925 7.677 1.00 0.69 H new ATOM 0 HB ILE A 62 -6.515 5.501 6.712 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -6.414 7.127 9.282 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -7.092 5.519 9.120 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -4.530 6.949 6.824 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -5.698 7.524 5.610 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -5.572 8.346 7.183 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -4.856 5.431 10.103 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -4.871 4.628 8.515 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -4.183 6.261 8.680 1.00 0.93 H new ATOM 689 N LEU A 63 -8.491 6.428 4.764 1.00 0.68 N ATOM 690 CA LEU A 63 -8.702 6.647 3.337 1.00 0.76 C ATOM 691 C LEU A 63 -9.901 7.575 3.120 1.00 0.84 C ATOM 692 O LEU A 63 -9.859 8.478 2.280 1.00 0.94 O ATOM 693 CB LEU A 63 -8.871 5.268 2.642 1.00 0.85 C ATOM 694 CG LEU A 63 -9.448 5.214 1.225 1.00 1.23 C ATOM 695 CD1 LEU A 63 -10.956 5.417 1.208 1.00 1.57 C ATOM 696 CD2 LEU A 63 -8.755 6.207 0.308 1.00 1.89 C ATOM 0 H LEU A 63 -8.583 5.455 5.055 1.00 0.68 H new ATOM 0 HA LEU A 63 -7.842 7.144 2.889 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -7.891 4.791 2.616 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -9.508 4.655 3.280 1.00 0.85 H new ATOM 0 HG LEU A 63 -9.255 4.210 0.846 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -11.318 5.370 0.181 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -11.435 4.635 1.797 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -11.197 6.391 1.633 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -9.188 6.144 -0.690 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -8.888 7.216 0.698 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -7.691 5.975 0.258 1.00 1.89 H new ATOM 708 N LYS A 64 -10.951 7.372 3.904 1.00 0.89 N ATOM 709 CA LYS A 64 -12.171 8.154 3.769 1.00 1.05 C ATOM 710 C LYS A 64 -12.002 9.551 4.371 1.00 1.03 C ATOM 711 O LYS A 64 -12.691 10.492 3.982 1.00 1.13 O ATOM 712 CB LYS A 64 -13.333 7.419 4.445 1.00 1.22 C ATOM 713 CG LYS A 64 -14.698 8.030 4.162 1.00 1.64 C ATOM 714 CD LYS A 64 -15.821 7.239 4.819 1.00 2.17 C ATOM 715 CE LYS A 64 -15.721 7.271 6.335 1.00 2.87 C ATOM 716 NZ LYS A 64 -16.858 6.567 6.983 1.00 3.41 N ATOM 0 H LYS A 64 -10.982 6.669 4.643 1.00 0.89 H new ATOM 0 HA LYS A 64 -12.389 8.273 2.708 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -13.335 6.381 4.114 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -13.166 7.410 5.522 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -14.718 9.058 4.524 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -14.863 8.068 3.085 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -16.783 7.648 4.509 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -15.788 6.206 4.474 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -14.784 6.809 6.646 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -15.695 8.306 6.675 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -16.751 6.612 8.016 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -17.751 7.023 6.707 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -16.869 5.572 6.680 1.00 3.41 H new ATOM 730 N SER A 65 -11.071 9.686 5.306 1.00 0.97 N ATOM 731 CA SER A 65 -10.851 10.959 5.980 1.00 1.06 C ATOM 732 C SER A 65 -10.038 11.921 5.119 1.00 1.03 C ATOM 733 O SER A 65 -10.069 13.132 5.341 1.00 1.13 O ATOM 734 CB SER A 65 -10.143 10.739 7.318 1.00 1.18 C ATOM 735 OG SER A 65 -10.935 9.952 8.193 1.00 1.65 O ATOM 0 H SER A 65 -10.457 8.932 5.615 1.00 0.97 H new ATOM 0 HA SER A 65 -11.829 11.407 6.156 1.00 1.06 H new ATOM 0 HB2 SER A 65 -9.185 10.248 7.149 1.00 1.18 H new ATOM 0 HB3 SER A 65 -9.930 11.702 7.783 1.00 1.18 H new ATOM 0 HG SER A 65 -10.931 9.020 7.889 1.00 1.65 H new ATOM 741 N LEU A 66 -9.316 11.393 4.135 1.00 0.97 N ATOM 742 CA LEU A 66 -8.461 12.231 3.302 1.00 1.05 C ATOM 743 C LEU A 66 -9.280 13.224 2.482 1.00 1.20 C ATOM 744 O LEU A 66 -8.913 14.392 2.382 1.00 1.55 O ATOM 745 CB LEU A 66 -7.576 11.378 2.383 1.00 1.00 C ATOM 746 CG LEU A 66 -6.121 11.192 2.844 1.00 1.09 C ATOM 747 CD1 LEU A 66 -6.061 10.640 4.259 1.00 1.72 C ATOM 748 CD2 LEU A 66 -5.375 10.272 1.892 1.00 1.38 C ATOM 0 H LEU A 66 -9.305 10.401 3.897 1.00 0.97 H new ATOM 0 HA LEU A 66 -7.814 12.799 3.971 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -8.034 10.394 2.279 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -7.569 11.832 1.392 1.00 1.00 H new ATOM 0 HG LEU A 66 -5.641 12.171 2.839 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -5.020 10.519 4.558 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -6.556 11.331 4.941 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -6.564 9.673 4.294 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -4.347 10.151 2.233 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -5.866 9.299 1.867 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -5.377 10.705 0.892 1.00 1.38 H new ATOM 760 N GLY A 67 -10.401 12.776 1.926 1.00 1.07 N ATOM 761 CA GLY A 67 -11.255 13.677 1.168 1.00 1.26 C ATOM 762 C GLY A 67 -11.230 13.404 -0.328 1.00 1.22 C ATOM 763 O GLY A 67 -12.086 12.674 -0.835 1.00 1.28 O ATOM 0 H GLY A 67 -10.733 11.813 1.985 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -12.279 13.588 1.531 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -10.940 14.705 1.349 1.00 1.26 H new ATOM 767 N PRO A 68 -10.267 13.993 -1.066 1.00 1.24 N ATOM 768 CA PRO A 68 -10.122 13.803 -2.520 1.00 1.29 C ATOM 769 C PRO A 68 -10.055 12.330 -2.917 1.00 1.15 C ATOM 770 O PRO A 68 -9.774 11.467 -2.081 1.00 0.99 O ATOM 771 CB PRO A 68 -8.786 14.494 -2.845 1.00 1.41 C ATOM 772 CG PRO A 68 -8.124 14.714 -1.527 1.00 1.56 C ATOM 773 CD PRO A 68 -9.238 14.901 -0.548 1.00 1.35 C ATOM 0 HA PRO A 68 -10.976 14.209 -3.061 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -8.170 13.873 -3.495 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -8.948 15.438 -3.366 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -7.500 13.863 -1.254 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -7.475 15.589 -1.555 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -8.937 14.638 0.466 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -9.585 15.934 -0.519 1.00 1.35 H new ATOM 781 N PRO A 69 -10.333 12.020 -4.196 1.00 1.30 N ATOM 782 CA PRO A 69 -10.253 10.651 -4.711 1.00 1.26 C ATOM 783 C PRO A 69 -8.838 10.103 -4.594 1.00 1.05 C ATOM 784 O PRO A 69 -7.979 10.363 -5.442 1.00 1.17 O ATOM 785 CB PRO A 69 -10.662 10.783 -6.183 1.00 1.53 C ATOM 786 CG PRO A 69 -10.479 12.227 -6.511 1.00 1.89 C ATOM 787 CD PRO A 69 -10.746 12.975 -5.237 1.00 1.58 C ATOM 0 HA PRO A 69 -10.889 9.961 -4.156 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -10.043 10.153 -6.822 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -11.696 10.473 -6.334 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -9.469 12.420 -6.873 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -11.165 12.539 -7.298 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -10.173 13.901 -5.185 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -11.798 13.246 -5.141 1.00 1.58 H new ATOM 795 N VAL A 70 -8.608 9.336 -3.544 1.00 0.85 N ATOM 796 CA VAL A 70 -7.281 8.846 -3.228 1.00 0.67 C ATOM 797 C VAL A 70 -6.917 7.653 -4.092 1.00 0.60 C ATOM 798 O VAL A 70 -7.672 6.686 -4.191 1.00 0.66 O ATOM 799 CB VAL A 70 -7.171 8.451 -1.742 1.00 0.62 C ATOM 800 CG1 VAL A 70 -5.771 7.958 -1.408 1.00 0.99 C ATOM 801 CG2 VAL A 70 -7.554 9.618 -0.850 1.00 1.08 C ATOM 0 H VAL A 70 -9.332 9.037 -2.890 1.00 0.85 H new ATOM 0 HA VAL A 70 -6.584 9.659 -3.432 1.00 0.67 H new ATOM 0 HB VAL A 70 -7.867 7.633 -1.559 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -5.723 7.686 -0.353 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.537 7.086 -2.018 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -5.049 8.748 -1.613 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -7.470 9.320 0.195 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -6.886 10.458 -1.043 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -8.581 9.916 -1.061 1.00 1.08 H new ATOM 811 N LYS A 71 -5.763 7.740 -4.721 1.00 0.55 N ATOM 812 CA LYS A 71 -5.232 6.639 -5.493 1.00 0.54 C ATOM 813 C LYS A 71 -4.454 5.722 -4.563 1.00 0.43 C ATOM 814 O LYS A 71 -3.546 6.167 -3.858 1.00 0.41 O ATOM 815 CB LYS A 71 -4.344 7.169 -6.621 1.00 0.65 C ATOM 816 CG LYS A 71 -5.100 8.050 -7.604 1.00 1.27 C ATOM 817 CD LYS A 71 -4.194 8.633 -8.679 1.00 1.74 C ATOM 818 CE LYS A 71 -3.198 9.632 -8.108 1.00 2.14 C ATOM 819 NZ LYS A 71 -2.432 10.316 -9.181 1.00 2.53 N ATOM 0 H LYS A 71 -5.171 8.571 -4.711 1.00 0.55 H new ATOM 0 HA LYS A 71 -6.044 6.074 -5.951 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -3.519 7.737 -6.191 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -3.906 6.328 -7.158 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -5.890 7.467 -8.076 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -5.584 8.862 -7.061 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -3.654 7.826 -9.174 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -4.803 9.123 -9.439 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -3.728 10.373 -7.510 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -2.508 9.117 -7.440 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -1.488 10.569 -8.826 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -2.336 9.680 -9.998 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -2.935 11.179 -9.471 1.00 2.53 H new ATOM 833 N ILE A 72 -4.832 4.458 -4.534 1.00 0.45 N ATOM 834 CA ILE A 72 -4.257 3.522 -3.585 1.00 0.43 C ATOM 835 C ILE A 72 -3.315 2.550 -4.275 1.00 0.41 C ATOM 836 O ILE A 72 -3.690 1.873 -5.232 1.00 0.50 O ATOM 837 CB ILE A 72 -5.350 2.733 -2.836 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.265 3.696 -2.077 1.00 0.68 C ATOM 839 CG2 ILE A 72 -4.723 1.724 -1.883 1.00 0.58 C ATOM 840 CD1 ILE A 72 -7.336 3.005 -1.267 1.00 1.00 C ATOM 0 H ILE A 72 -5.534 4.056 -5.155 1.00 0.45 H new ATOM 0 HA ILE A 72 -3.693 4.111 -2.862 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.948 2.185 -3.564 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -5.659 4.311 -1.412 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -6.739 4.370 -2.790 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -5.510 1.177 -1.363 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -4.107 1.025 -2.448 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -4.103 2.248 -1.155 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -7.945 3.751 -0.757 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -7.967 2.412 -1.929 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -6.870 2.352 -0.529 1.00 1.00 H new ATOM 852 N LEU A 73 -2.094 2.487 -3.778 1.00 0.37 N ATOM 853 CA LEU A 73 -1.091 1.593 -4.317 1.00 0.37 C ATOM 854 C LEU A 73 -0.752 0.533 -3.276 1.00 0.37 C ATOM 855 O LEU A 73 -0.143 0.828 -2.248 1.00 0.46 O ATOM 856 CB LEU A 73 0.157 2.395 -4.705 1.00 0.43 C ATOM 857 CG LEU A 73 0.996 1.823 -5.869 1.00 0.57 C ATOM 858 CD1 LEU A 73 2.228 2.673 -6.139 1.00 1.06 C ATOM 859 CD2 LEU A 73 1.423 0.389 -5.601 1.00 1.22 C ATOM 0 H LEU A 73 -1.772 3.052 -2.992 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.473 1.098 -5.210 1.00 0.37 H new ATOM 0 HB2 LEU A 73 -0.153 3.406 -4.970 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.798 2.478 -3.828 1.00 0.43 H new ATOM 0 HG LEU A 73 0.354 1.840 -6.750 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.794 2.241 -6.964 1.00 1.06 H new ATOM 0 HD12 LEU A 73 1.921 3.686 -6.401 1.00 1.06 H new ATOM 0 HD13 LEU A 73 2.853 2.702 -5.246 1.00 1.06 H new ATOM 0 HD21 LEU A 73 2.011 0.021 -6.442 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.025 0.352 -4.693 1.00 1.22 H new ATOM 0 HD23 LEU A 73 0.539 -0.236 -5.475 1.00 1.22 H new ATOM 871 N VAL A 74 -1.171 -0.693 -3.536 1.00 0.40 N ATOM 872 CA VAL A 74 -0.909 -1.798 -2.633 1.00 0.40 C ATOM 873 C VAL A 74 0.386 -2.509 -3.027 1.00 0.39 C ATOM 874 O VAL A 74 0.484 -3.098 -4.107 1.00 0.47 O ATOM 875 CB VAL A 74 -2.076 -2.809 -2.639 1.00 0.48 C ATOM 876 CG1 VAL A 74 -1.860 -3.911 -1.610 1.00 1.30 C ATOM 877 CG2 VAL A 74 -3.404 -2.105 -2.400 1.00 1.16 C ATOM 0 H VAL A 74 -1.698 -0.949 -4.371 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.807 -1.390 -1.627 1.00 0.40 H new ATOM 0 HB VAL A 74 -2.106 -3.273 -3.625 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -2.699 -4.606 -1.640 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -0.938 -4.446 -1.838 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.788 -3.471 -0.615 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -4.211 -2.838 -2.409 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -3.381 -1.602 -1.433 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -3.573 -1.370 -3.187 1.00 1.16 H new ATOM 887 N LEU A 75 1.375 -2.436 -2.149 1.00 0.38 N ATOM 888 CA LEU A 75 2.661 -3.082 -2.373 1.00 0.38 C ATOM 889 C LEU A 75 2.733 -4.380 -1.582 1.00 0.35 C ATOM 890 O LEU A 75 2.869 -4.367 -0.356 1.00 0.43 O ATOM 891 CB LEU A 75 3.812 -2.160 -1.953 1.00 0.48 C ATOM 892 CG LEU A 75 3.986 -0.892 -2.794 1.00 0.80 C ATOM 893 CD1 LEU A 75 5.075 -0.011 -2.202 1.00 1.67 C ATOM 894 CD2 LEU A 75 4.319 -1.247 -4.235 1.00 1.65 C ATOM 0 H LEU A 75 1.310 -1.930 -1.266 1.00 0.38 H new ATOM 0 HA LEU A 75 2.756 -3.297 -3.437 1.00 0.38 H new ATOM 0 HB2 LEU A 75 3.658 -1.867 -0.914 1.00 0.48 H new ATOM 0 HB3 LEU A 75 4.741 -2.729 -1.990 1.00 0.48 H new ATOM 0 HG LEU A 75 3.046 -0.340 -2.784 1.00 0.80 H new ATOM 0 HD11 LEU A 75 5.188 0.887 -2.810 1.00 1.67 H new ATOM 0 HD12 LEU A 75 4.802 0.271 -1.185 1.00 1.67 H new ATOM 0 HD13 LEU A 75 6.017 -0.559 -2.186 1.00 1.67 H new ATOM 0 HD21 LEU A 75 4.439 -0.333 -4.817 1.00 1.65 H new ATOM 0 HD22 LEU A 75 5.246 -1.819 -4.264 1.00 1.65 H new ATOM 0 HD23 LEU A 75 3.511 -1.843 -4.659 1.00 1.65 H new ATOM 906 N LEU A 76 2.625 -5.498 -2.279 1.00 0.34 N ATOM 907 CA LEU A 76 2.654 -6.794 -1.626 1.00 0.42 C ATOM 908 C LEU A 76 3.997 -7.474 -1.825 1.00 0.41 C ATOM 909 O LEU A 76 4.487 -7.595 -2.949 1.00 0.48 O ATOM 910 CB LEU A 76 1.537 -7.696 -2.158 1.00 0.55 C ATOM 911 CG LEU A 76 0.111 -7.203 -1.900 1.00 1.09 C ATOM 912 CD1 LEU A 76 -0.899 -8.186 -2.467 1.00 1.52 C ATOM 913 CD2 LEU A 76 -0.128 -6.996 -0.411 1.00 1.76 C ATOM 0 H LEU A 76 2.517 -5.534 -3.293 1.00 0.34 H new ATOM 0 HA LEU A 76 2.499 -6.629 -0.560 1.00 0.42 H new ATOM 0 HB2 LEU A 76 1.672 -7.816 -3.233 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.648 -8.684 -1.711 1.00 0.55 H new ATOM 0 HG LEU A 76 -0.015 -6.244 -2.402 1.00 1.09 H new ATOM 0 HD11 LEU A 76 -1.908 -7.822 -2.276 1.00 1.52 H new ATOM 0 HD12 LEU A 76 -0.747 -8.285 -3.542 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -0.768 -9.158 -1.991 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -1.148 -6.646 -0.251 1.00 1.76 H new ATOM 0 HD22 LEU A 76 0.018 -7.939 0.116 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.574 -6.255 -0.029 1.00 1.76 H new ATOM 925 N GLU A 77 4.596 -7.895 -0.726 1.00 0.46 N ATOM 926 CA GLU A 77 5.787 -8.722 -0.776 1.00 0.49 C ATOM 927 C GLU A 77 5.359 -10.130 -1.156 1.00 0.49 C ATOM 928 O GLU A 77 4.581 -10.752 -0.433 1.00 0.59 O ATOM 929 CB GLU A 77 6.498 -8.711 0.580 1.00 0.61 C ATOM 930 CG GLU A 77 7.729 -9.595 0.650 1.00 0.63 C ATOM 931 CD GLU A 77 8.444 -9.490 1.983 1.00 1.04 C ATOM 932 OE1 GLU A 77 9.581 -8.974 2.014 1.00 1.71 O ATOM 933 OE2 GLU A 77 7.872 -9.926 3.009 1.00 1.74 O ATOM 0 H GLU A 77 4.275 -7.676 0.217 1.00 0.46 H new ATOM 0 HA GLU A 77 6.490 -8.337 -1.514 1.00 0.49 H new ATOM 0 HB2 GLU A 77 6.787 -7.687 0.816 1.00 0.61 H new ATOM 0 HB3 GLU A 77 5.793 -9.029 1.349 1.00 0.61 H new ATOM 0 HG2 GLU A 77 7.438 -10.631 0.478 1.00 0.63 H new ATOM 0 HG3 GLU A 77 8.416 -9.320 -0.150 1.00 0.63 H new ATOM 940 N ASP A 78 5.841 -10.617 -2.298 1.00 0.54 N ATOM 941 CA ASP A 78 5.341 -11.871 -2.865 1.00 0.61 C ATOM 942 C ASP A 78 5.613 -13.060 -1.952 1.00 0.63 C ATOM 943 O ASP A 78 6.649 -13.716 -2.038 1.00 0.72 O ATOM 944 CB ASP A 78 5.938 -12.131 -4.252 1.00 0.77 C ATOM 945 CG ASP A 78 5.477 -13.456 -4.841 1.00 1.06 C ATOM 946 OD1 ASP A 78 6.312 -14.375 -4.979 1.00 1.59 O ATOM 947 OD2 ASP A 78 4.274 -13.593 -5.161 1.00 1.85 O ATOM 0 H ASP A 78 6.573 -10.166 -2.847 1.00 0.54 H new ATOM 0 HA ASP A 78 4.261 -11.760 -2.961 1.00 0.61 H new ATOM 0 HB2 ASP A 78 5.657 -11.320 -4.924 1.00 0.77 H new ATOM 0 HB3 ASP A 78 7.026 -12.125 -4.184 1.00 0.77 H new ATOM 952 N THR A 79 4.676 -13.301 -1.056 1.00 0.61 N ATOM 953 CA THR A 79 4.685 -14.479 -0.219 1.00 0.72 C ATOM 954 C THR A 79 3.505 -15.363 -0.611 1.00 0.78 C ATOM 955 O THR A 79 2.594 -14.893 -1.291 1.00 0.84 O ATOM 956 CB THR A 79 4.591 -14.088 1.271 1.00 0.77 C ATOM 957 OG1 THR A 79 5.409 -12.937 1.517 1.00 1.04 O ATOM 958 CG2 THR A 79 5.046 -15.228 2.170 1.00 1.20 C ATOM 0 H THR A 79 3.884 -12.680 -0.889 1.00 0.61 H new ATOM 0 HA THR A 79 5.619 -15.022 -0.363 1.00 0.72 H new ATOM 0 HB THR A 79 3.549 -13.864 1.498 1.00 0.77 H new ATOM 0 HG1 THR A 79 5.348 -12.688 2.463 1.00 1.04 H new ATOM 0 HG21 THR A 79 4.968 -14.922 3.213 1.00 1.20 H new ATOM 0 HG22 THR A 79 4.415 -16.100 2.000 1.00 1.20 H new ATOM 0 HG23 THR A 79 6.082 -15.480 1.942 1.00 1.20 H new ATOM 966 N LYS A 80 3.506 -16.623 -0.205 1.00 0.84 N ATOM 967 CA LYS A 80 2.387 -17.508 -0.512 1.00 0.92 C ATOM 968 C LYS A 80 1.087 -16.938 0.060 1.00 0.88 C ATOM 969 O LYS A 80 0.063 -16.879 -0.624 1.00 0.90 O ATOM 970 CB LYS A 80 2.657 -18.910 0.041 1.00 1.09 C ATOM 971 CG LYS A 80 1.566 -19.926 -0.268 1.00 1.65 C ATOM 972 CD LYS A 80 1.307 -20.056 -1.763 1.00 2.05 C ATOM 973 CE LYS A 80 2.551 -20.483 -2.527 1.00 3.00 C ATOM 974 NZ LYS A 80 3.034 -21.825 -2.111 1.00 3.57 N ATOM 0 H LYS A 80 4.258 -17.055 0.332 1.00 0.84 H new ATOM 0 HA LYS A 80 2.280 -17.580 -1.594 1.00 0.92 H new ATOM 0 HB2 LYS A 80 3.601 -19.273 -0.366 1.00 1.09 H new ATOM 0 HB3 LYS A 80 2.780 -18.844 1.122 1.00 1.09 H new ATOM 0 HG2 LYS A 80 1.852 -20.897 0.135 1.00 1.65 H new ATOM 0 HG3 LYS A 80 0.645 -19.631 0.234 1.00 1.65 H new ATOM 0 HD2 LYS A 80 0.513 -20.783 -1.930 1.00 2.05 H new ATOM 0 HD3 LYS A 80 0.953 -19.102 -2.153 1.00 2.05 H new ATOM 0 HE2 LYS A 80 2.334 -20.492 -3.595 1.00 3.00 H new ATOM 0 HE3 LYS A 80 3.342 -19.749 -2.369 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 3.820 -22.117 -2.726 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 3.363 -21.785 -1.125 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 2.258 -22.513 -2.190 1.00 3.57 H new ATOM 988 N ASP A 81 1.153 -16.492 1.311 1.00 0.90 N ATOM 989 CA ASP A 81 -0.005 -15.890 1.987 1.00 0.93 C ATOM 990 C ASP A 81 -0.523 -14.668 1.230 1.00 0.83 C ATOM 991 O ASP A 81 -1.730 -14.434 1.166 1.00 0.82 O ATOM 992 CB ASP A 81 0.343 -15.480 3.426 1.00 1.08 C ATOM 993 CG ASP A 81 -0.886 -15.095 4.227 1.00 1.46 C ATOM 994 OD1 ASP A 81 -1.083 -13.892 4.486 1.00 2.24 O ATOM 995 OD2 ASP A 81 -1.665 -15.999 4.600 1.00 2.00 O ATOM 0 H ASP A 81 1.996 -16.534 1.883 1.00 0.90 H new ATOM 0 HA ASP A 81 -0.786 -16.650 2.009 1.00 0.93 H new ATOM 0 HB2 ASP A 81 0.854 -16.304 3.923 1.00 1.08 H new ATOM 0 HB3 ASP A 81 1.038 -14.640 3.404 1.00 1.08 H new ATOM 1000 N ALA A 82 0.397 -13.914 0.631 1.00 0.82 N ATOM 1001 CA ALA A 82 0.057 -12.662 -0.042 1.00 0.82 C ATOM 1002 C ALA A 82 -0.823 -12.890 -1.268 1.00 0.82 C ATOM 1003 O ALA A 82 -1.559 -11.995 -1.681 1.00 0.84 O ATOM 1004 CB ALA A 82 1.320 -11.913 -0.434 1.00 0.97 C ATOM 0 H ALA A 82 1.389 -14.150 0.598 1.00 0.82 H new ATOM 0 HA ALA A 82 -0.515 -12.059 0.663 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.051 -10.983 -0.934 1.00 0.97 H new ATOM 0 HB2 ALA A 82 1.902 -11.689 0.460 1.00 0.97 H new ATOM 0 HB3 ALA A 82 1.914 -12.529 -1.109 1.00 0.97 H new ATOM 1010 N ASP A 83 -0.766 -14.091 -1.835 1.00 0.91 N ATOM 1011 CA ASP A 83 -1.568 -14.407 -3.013 1.00 1.03 C ATOM 1012 C ASP A 83 -3.025 -14.510 -2.625 1.00 0.98 C ATOM 1013 O ASP A 83 -3.925 -14.229 -3.420 1.00 1.03 O ATOM 1014 CB ASP A 83 -1.112 -15.713 -3.665 1.00 1.27 C ATOM 1015 CG ASP A 83 -0.015 -15.500 -4.683 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -0.312 -14.974 -5.776 1.00 2.22 O ATOM 1017 OD2 ASP A 83 1.144 -15.869 -4.408 1.00 2.33 O ATOM 0 H ASP A 83 -0.179 -14.856 -1.502 1.00 0.91 H new ATOM 0 HA ASP A 83 -1.435 -13.604 -3.738 1.00 1.03 H new ATOM 0 HB2 ASP A 83 -0.759 -16.397 -2.893 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -1.964 -16.191 -4.149 1.00 1.27 H new ATOM 1022 N LYS A 84 -3.243 -14.904 -1.385 1.00 0.96 N ATOM 1023 CA LYS A 84 -4.576 -14.999 -0.836 1.00 1.04 C ATOM 1024 C LYS A 84 -5.105 -13.612 -0.500 1.00 0.94 C ATOM 1025 O LYS A 84 -6.229 -13.263 -0.859 1.00 1.04 O ATOM 1026 CB LYS A 84 -4.566 -15.875 0.413 1.00 1.17 C ATOM 1027 CG LYS A 84 -4.189 -17.323 0.145 1.00 1.67 C ATOM 1028 CD LYS A 84 -4.371 -18.211 1.374 1.00 2.01 C ATOM 1029 CE LYS A 84 -3.403 -17.860 2.500 1.00 2.47 C ATOM 1030 NZ LYS A 84 -3.863 -16.707 3.321 1.00 3.21 N ATOM 0 H LYS A 84 -2.502 -15.166 -0.734 1.00 0.96 H new ATOM 0 HA LYS A 84 -5.231 -15.453 -1.579 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -3.865 -15.455 1.134 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -5.553 -15.846 0.874 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -4.799 -17.709 -0.672 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -3.151 -17.370 -0.183 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -5.394 -18.117 1.737 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -4.228 -19.253 1.089 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -3.273 -18.729 3.144 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -2.426 -17.630 2.074 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -3.076 -16.040 3.454 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -4.647 -16.226 2.835 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -4.188 -17.049 4.248 1.00 3.21 H new ATOM 1044 N VAL A 85 -4.274 -12.817 0.171 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.666 -11.471 0.576 1.00 0.77 C ATOM 1046 C VAL A 85 -4.930 -10.607 -0.654 1.00 0.68 C ATOM 1047 O VAL A 85 -5.856 -9.800 -0.657 1.00 0.75 O ATOM 1048 CB VAL A 85 -3.590 -10.774 1.459 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -4.196 -9.595 2.206 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -2.921 -11.743 2.435 1.00 1.16 C ATOM 0 H VAL A 85 -3.328 -13.082 0.445 1.00 0.80 H new ATOM 0 HA VAL A 85 -5.573 -11.576 1.171 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.812 -10.408 0.789 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -3.430 -9.120 2.818 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -4.588 -8.873 1.490 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -5.005 -9.947 2.846 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -2.179 -11.208 3.028 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -3.674 -12.171 3.097 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -2.433 -12.542 1.877 1.00 1.16 H new ATOM 1060 N LYS A 86 -4.133 -10.800 -1.706 1.00 0.60 N ATOM 1061 CA LYS A 86 -4.297 -10.045 -2.941 1.00 0.59 C ATOM 1062 C LYS A 86 -5.711 -10.191 -3.483 1.00 0.69 C ATOM 1063 O LYS A 86 -6.394 -9.200 -3.733 1.00 0.78 O ATOM 1064 CB LYS A 86 -3.285 -10.516 -3.991 1.00 0.62 C ATOM 1065 CG LYS A 86 -3.579 -10.013 -5.395 1.00 0.79 C ATOM 1066 CD LYS A 86 -2.497 -10.429 -6.373 1.00 1.07 C ATOM 1067 CE LYS A 86 -2.928 -10.213 -7.817 1.00 1.57 C ATOM 1068 NZ LYS A 86 -3.452 -8.843 -8.059 1.00 2.30 N ATOM 0 H LYS A 86 -3.368 -11.474 -1.724 1.00 0.60 H new ATOM 0 HA LYS A 86 -4.118 -8.993 -2.720 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -2.289 -10.184 -3.697 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -3.267 -11.606 -4.002 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -4.541 -10.402 -5.728 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -3.662 -8.926 -5.383 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -1.589 -9.859 -6.175 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -2.253 -11.480 -6.220 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -2.079 -10.395 -8.477 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -3.695 -10.942 -8.076 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -3.508 -8.668 -9.083 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -4.400 -8.755 -7.641 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -2.815 -8.146 -7.623 1.00 2.30 H new ATOM 1082 N LYS A 87 -6.153 -11.430 -3.633 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.468 -11.697 -4.189 1.00 0.89 C ATOM 1084 C LYS A 87 -8.572 -11.232 -3.254 1.00 0.88 C ATOM 1085 O LYS A 87 -9.605 -10.752 -3.709 1.00 0.93 O ATOM 1086 CB LYS A 87 -7.626 -13.181 -4.518 1.00 1.06 C ATOM 1087 CG LYS A 87 -7.364 -13.496 -5.983 1.00 1.85 C ATOM 1088 CD LYS A 87 -5.977 -13.048 -6.417 1.00 2.29 C ATOM 1089 CE LYS A 87 -5.843 -13.033 -7.932 1.00 3.21 C ATOM 1090 NZ LYS A 87 -6.746 -12.029 -8.560 1.00 3.93 N ATOM 0 H LYS A 87 -5.622 -12.263 -3.378 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.557 -11.128 -5.114 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -6.940 -13.760 -3.899 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -8.636 -13.500 -4.258 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -7.468 -14.568 -6.149 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -8.115 -13.004 -6.601 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -5.776 -12.052 -6.023 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -5.228 -13.716 -5.991 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -4.811 -12.812 -8.203 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -6.071 -14.023 -8.326 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -6.394 -11.791 -9.509 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -7.705 -12.424 -8.636 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -6.771 -11.170 -7.974 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.347 -11.354 -1.953 1.00 0.90 N ATOM 1105 CA GLU A 88 -9.325 -10.893 -0.978 1.00 0.98 C ATOM 1106 C GLU A 88 -9.487 -9.382 -1.070 1.00 0.96 C ATOM 1107 O GLU A 88 -10.602 -8.863 -1.009 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.921 -11.299 0.437 1.00 1.06 C ATOM 1109 CG GLU A 88 -9.009 -12.795 0.685 1.00 1.16 C ATOM 1110 CD GLU A 88 -8.780 -13.154 2.136 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -9.575 -12.710 2.990 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -7.820 -13.896 2.430 1.00 2.58 O ATOM 0 H GLU A 88 -7.504 -11.764 -1.551 1.00 0.90 H new ATOM 0 HA GLU A 88 -10.281 -11.365 -1.205 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.900 -10.967 0.625 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -9.561 -10.782 1.152 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -9.990 -13.155 0.375 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -8.272 -13.307 0.066 1.00 1.16 H new ATOM 1119 N ILE A 89 -8.370 -8.682 -1.235 1.00 0.91 N ATOM 1120 CA ILE A 89 -8.393 -7.238 -1.391 1.00 0.93 C ATOM 1121 C ILE A 89 -9.095 -6.851 -2.690 1.00 0.87 C ATOM 1122 O ILE A 89 -9.936 -5.959 -2.699 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.971 -6.630 -1.370 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -6.278 -6.910 -0.031 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -7.025 -5.132 -1.637 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -7.011 -6.356 1.174 1.00 1.17 C ATOM 0 H ILE A 89 -7.438 -9.095 -1.264 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.945 -6.834 -0.543 1.00 0.93 H new ATOM 0 HB ILE A 89 -6.389 -7.102 -2.162 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -6.166 -7.988 0.089 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -5.274 -6.486 -0.058 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -6.015 -4.722 -1.618 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -7.471 -4.953 -2.615 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -7.628 -4.647 -0.869 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -6.455 -6.597 2.080 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -7.100 -5.274 1.080 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -8.006 -6.798 1.230 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.766 -7.546 -3.776 1.00 0.81 N ATOM 1139 CA GLU A 90 -9.359 -7.251 -5.078 1.00 0.79 C ATOM 1140 C GLU A 90 -10.874 -7.447 -5.056 1.00 0.79 C ATOM 1141 O GLU A 90 -11.618 -6.670 -5.658 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.737 -8.123 -6.171 1.00 0.83 C ATOM 1143 CG GLU A 90 -7.263 -7.841 -6.400 1.00 1.35 C ATOM 1144 CD GLU A 90 -6.713 -8.537 -7.628 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -6.833 -7.971 -8.734 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -6.136 -9.636 -7.493 1.00 2.08 O ATOM 0 H GLU A 90 -8.095 -8.314 -3.781 1.00 0.81 H new ATOM 0 HA GLU A 90 -9.151 -6.205 -5.301 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -8.861 -9.172 -5.903 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -9.279 -7.966 -7.104 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -7.116 -6.766 -6.501 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -6.697 -8.159 -5.524 1.00 1.35 H new ATOM 1153 N LYS A 91 -11.323 -8.480 -4.357 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.748 -8.769 -4.246 1.00 0.93 C ATOM 1155 C LYS A 91 -13.456 -7.710 -3.410 1.00 0.96 C ATOM 1156 O LYS A 91 -14.486 -7.169 -3.818 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.960 -10.152 -3.624 1.00 1.11 C ATOM 1158 CG LYS A 91 -12.450 -11.294 -4.487 1.00 1.66 C ATOM 1159 CD LYS A 91 -12.449 -12.610 -3.730 1.00 1.93 C ATOM 1160 CE LYS A 91 -11.827 -13.722 -4.555 1.00 2.60 C ATOM 1161 NZ LYS A 91 -11.675 -14.979 -3.776 1.00 3.12 N ATOM 0 H LYS A 91 -10.721 -9.134 -3.857 1.00 0.85 H new ATOM 0 HA LYS A 91 -13.175 -8.758 -5.249 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -12.458 -10.187 -2.657 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -14.024 -10.297 -3.436 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -13.074 -11.386 -5.376 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -11.440 -11.069 -4.829 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -11.897 -12.495 -2.797 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -13.471 -12.880 -3.465 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -12.446 -13.912 -5.432 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -10.851 -13.401 -4.918 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -11.247 -15.711 -4.378 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -11.063 -14.806 -2.953 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -12.609 -15.301 -3.451 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.888 -7.396 -2.252 1.00 1.03 N ATOM 1176 CA LYS A 92 -13.514 -6.458 -1.330 1.00 1.17 C ATOM 1177 C LYS A 92 -13.412 -5.027 -1.856 1.00 1.08 C ATOM 1178 O LYS A 92 -14.239 -4.180 -1.526 1.00 1.15 O ATOM 1179 CB LYS A 92 -12.870 -6.557 0.067 1.00 1.37 C ATOM 1180 CG LYS A 92 -11.513 -5.880 0.165 1.00 1.59 C ATOM 1181 CD LYS A 92 -10.866 -6.121 1.518 1.00 1.81 C ATOM 1182 CE LYS A 92 -11.709 -5.556 2.649 1.00 2.18 C ATOM 1183 NZ LYS A 92 -11.091 -5.807 3.973 1.00 2.41 N ATOM 0 H LYS A 92 -11.998 -7.776 -1.930 1.00 1.03 H new ATOM 0 HA LYS A 92 -14.569 -6.721 -1.248 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -13.542 -6.110 0.799 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -12.761 -7.608 0.333 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -10.860 -6.255 -0.623 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -11.627 -4.808 0.001 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -10.724 -7.191 1.669 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -9.877 -5.663 1.536 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -11.838 -4.483 2.505 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -12.703 -6.003 2.621 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -11.533 -5.190 4.685 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -11.234 -6.802 4.240 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -10.072 -5.605 3.924 1.00 2.41 H new ATOM 1197 N ALA A 93 -12.404 -4.766 -2.678 1.00 0.98 N ATOM 1198 CA ALA A 93 -12.225 -3.448 -3.270 1.00 0.99 C ATOM 1199 C ALA A 93 -13.394 -3.113 -4.185 1.00 0.90 C ATOM 1200 O ALA A 93 -13.841 -1.969 -4.246 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.914 -3.376 -4.034 1.00 1.01 C ATOM 0 H ALA A 93 -11.698 -5.450 -2.950 1.00 0.98 H new ATOM 0 HA ALA A 93 -12.193 -2.713 -2.466 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -10.800 -2.383 -4.468 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -10.085 -3.572 -3.354 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.915 -4.122 -4.829 1.00 1.01 H new ATOM 1207 N ARG A 94 -13.896 -4.124 -4.882 1.00 0.82 N ATOM 1208 CA ARG A 94 -15.065 -3.950 -5.738 1.00 0.85 C ATOM 1209 C ARG A 94 -16.298 -3.699 -4.883 1.00 0.86 C ATOM 1210 O ARG A 94 -17.187 -2.939 -5.262 1.00 0.92 O ATOM 1211 CB ARG A 94 -15.291 -5.179 -6.629 1.00 0.93 C ATOM 1212 CG ARG A 94 -14.103 -5.512 -7.515 1.00 1.31 C ATOM 1213 CD ARG A 94 -14.389 -6.701 -8.415 1.00 1.63 C ATOM 1214 NE ARG A 94 -14.715 -7.907 -7.654 1.00 2.21 N ATOM 1215 CZ ARG A 94 -14.059 -9.063 -7.768 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -12.978 -9.155 -8.537 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -14.469 -10.126 -7.088 1.00 3.67 N ATOM 0 H ARG A 94 -13.515 -5.070 -4.873 1.00 0.82 H new ATOM 0 HA ARG A 94 -14.887 -3.091 -6.384 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -15.516 -6.039 -5.998 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -16.165 -5.007 -7.257 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -13.851 -4.645 -8.126 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -13.234 -5.727 -6.893 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -15.217 -6.459 -9.081 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -13.520 -6.895 -9.044 1.00 1.63 H new ATOM 0 HE ARG A 94 -15.492 -7.861 -6.995 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -12.643 -8.337 -9.046 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -12.483 -10.043 -8.617 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -15.285 -10.059 -6.479 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -13.969 -11.011 -7.174 1.00 3.67 H new ATOM 1231 N LYS A 95 -16.333 -4.336 -3.717 1.00 0.90 N ATOM 1232 CA LYS A 95 -17.440 -4.181 -2.782 1.00 1.02 C ATOM 1233 C LYS A 95 -17.468 -2.770 -2.209 1.00 1.02 C ATOM 1234 O LYS A 95 -18.533 -2.208 -1.961 1.00 1.15 O ATOM 1235 CB LYS A 95 -17.322 -5.194 -1.639 1.00 1.23 C ATOM 1236 CG LYS A 95 -17.327 -6.646 -2.090 1.00 1.55 C ATOM 1237 CD LYS A 95 -17.171 -7.601 -0.912 1.00 2.10 C ATOM 1238 CE LYS A 95 -18.360 -7.527 0.033 1.00 2.52 C ATOM 1239 NZ LYS A 95 -18.220 -8.465 1.177 1.00 3.34 N ATOM 0 H LYS A 95 -15.601 -4.969 -3.396 1.00 0.90 H new ATOM 0 HA LYS A 95 -18.367 -4.361 -3.327 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -16.401 -4.999 -1.089 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -18.147 -5.038 -0.944 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -18.259 -6.862 -2.613 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -16.517 -6.809 -2.801 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -17.063 -8.621 -1.282 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -16.258 -7.361 -0.367 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -18.462 -6.509 0.409 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -19.274 -7.757 -0.515 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -19.051 -8.383 1.797 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -18.149 -9.439 0.820 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -17.362 -8.230 1.716 1.00 3.34 H new ATOM 1253 N LYS A 96 -16.285 -2.200 -2.014 1.00 0.97 N ATOM 1254 CA LYS A 96 -16.154 -0.885 -1.403 1.00 1.03 C ATOM 1255 C LYS A 96 -15.958 0.197 -2.461 1.00 0.96 C ATOM 1256 O LYS A 96 -15.536 1.311 -2.143 1.00 1.07 O ATOM 1257 CB LYS A 96 -14.973 -0.870 -0.427 1.00 1.15 C ATOM 1258 CG LYS A 96 -15.040 -1.950 0.645 1.00 1.29 C ATOM 1259 CD LYS A 96 -16.216 -1.748 1.591 1.00 1.68 C ATOM 1260 CE LYS A 96 -16.058 -0.481 2.415 1.00 1.78 C ATOM 1261 NZ LYS A 96 -17.132 -0.339 3.434 1.00 2.17 N ATOM 0 H LYS A 96 -15.398 -2.632 -2.272 1.00 0.97 H new ATOM 0 HA LYS A 96 -17.076 -0.675 -0.861 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -14.048 -0.989 -0.991 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -14.928 0.106 0.057 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -15.122 -2.927 0.169 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -14.112 -1.951 1.217 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -17.141 -1.697 1.017 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -16.301 -2.607 2.256 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -15.087 -0.490 2.911 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -16.070 0.385 1.753 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -16.735 0.074 4.302 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -17.880 0.283 3.066 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -17.534 -1.274 3.648 1.00 2.17 H new ATOM 1275 N ASN A 97 -16.267 -0.161 -3.718 1.00 0.86 N ATOM 1276 CA ASN A 97 -16.126 0.726 -4.887 1.00 0.86 C ATOM 1277 C ASN A 97 -14.811 1.510 -4.849 1.00 0.87 C ATOM 1278 O ASN A 97 -14.762 2.699 -5.163 1.00 1.04 O ATOM 1279 CB ASN A 97 -17.343 1.672 -5.039 1.00 0.97 C ATOM 1280 CG ASN A 97 -17.509 2.688 -3.917 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -16.970 3.794 -3.977 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -18.277 2.332 -2.896 1.00 2.33 N ATOM 0 H ASN A 97 -16.626 -1.086 -3.955 1.00 0.86 H new ATOM 0 HA ASN A 97 -16.098 0.087 -5.770 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -17.253 2.208 -5.984 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -18.249 1.068 -5.100 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -18.437 2.983 -2.127 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -18.707 1.407 -2.880 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.738 0.817 -4.502 1.00 0.78 N ATOM 1290 CA LEU A 98 -12.451 1.454 -4.280 1.00 0.84 C ATOM 1291 C LEU A 98 -11.388 0.890 -5.230 1.00 0.71 C ATOM 1292 O LEU A 98 -10.873 -0.208 -5.008 1.00 0.65 O ATOM 1293 CB LEU A 98 -12.039 1.238 -2.820 1.00 1.00 C ATOM 1294 CG LEU A 98 -10.789 1.986 -2.351 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -10.950 3.492 -2.519 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -10.500 1.642 -0.898 1.00 2.08 C ATOM 0 H LEU A 98 -13.734 -0.194 -4.367 1.00 0.78 H new ATOM 0 HA LEU A 98 -12.537 2.521 -4.483 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -12.873 1.531 -2.182 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -11.878 0.171 -2.664 1.00 1.00 H new ATOM 0 HG LEU A 98 -9.948 1.672 -2.969 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -10.045 3.995 -2.177 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -11.119 3.725 -3.570 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -11.801 3.835 -1.930 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -9.609 2.176 -0.568 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -11.349 1.934 -0.279 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -10.335 0.569 -0.804 1.00 2.08 H new ATOM 1308 N PRO A 99 -11.078 1.615 -6.322 1.00 0.83 N ATOM 1309 CA PRO A 99 -10.006 1.229 -7.249 1.00 0.85 C ATOM 1310 C PRO A 99 -8.644 1.177 -6.560 1.00 0.70 C ATOM 1311 O PRO A 99 -8.174 2.180 -6.020 1.00 0.77 O ATOM 1312 CB PRO A 99 -10.008 2.329 -8.317 1.00 1.15 C ATOM 1313 CG PRO A 99 -11.317 3.029 -8.179 1.00 1.25 C ATOM 1314 CD PRO A 99 -11.767 2.844 -6.754 1.00 1.10 C ATOM 0 HA PRO A 99 -10.175 0.232 -7.655 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -9.178 3.020 -8.168 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -9.895 1.905 -9.315 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -11.215 4.088 -8.417 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -12.050 2.616 -8.872 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -11.490 3.696 -6.134 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -12.850 2.740 -6.687 1.00 1.10 H new ATOM 1322 N VAL A 100 -8.012 0.012 -6.584 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.708 -0.163 -5.958 1.00 0.47 C ATOM 1324 C VAL A 100 -5.674 -0.642 -6.976 1.00 0.42 C ATOM 1325 O VAL A 100 -5.987 -1.423 -7.876 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.768 -1.157 -4.772 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -7.619 -0.595 -3.644 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -7.305 -2.511 -5.219 1.00 1.35 C ATOM 0 H VAL A 100 -8.381 -0.827 -7.031 1.00 0.58 H new ATOM 0 HA VAL A 100 -6.408 0.812 -5.573 1.00 0.47 H new ATOM 0 HB VAL A 100 -5.752 -1.300 -4.403 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -7.649 -1.308 -2.820 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -7.188 0.344 -3.296 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -8.632 -0.417 -4.006 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -7.336 -3.189 -4.366 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -8.310 -2.389 -5.623 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -6.653 -2.925 -5.988 1.00 1.35 H new ATOM 1338 N ARG A 101 -4.451 -0.146 -6.846 1.00 0.43 N ATOM 1339 CA ARG A 101 -3.350 -0.564 -7.703 1.00 0.43 C ATOM 1340 C ARG A 101 -2.446 -1.534 -6.948 1.00 0.40 C ATOM 1341 O ARG A 101 -1.612 -1.118 -6.150 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.541 0.656 -8.161 1.00 0.49 C ATOM 1343 CG ARG A 101 -3.332 1.646 -9.007 1.00 1.20 C ATOM 1344 CD ARG A 101 -3.886 0.990 -10.269 1.00 1.40 C ATOM 1345 NE ARG A 101 -2.828 0.401 -11.090 1.00 2.23 N ATOM 1346 CZ ARG A 101 -2.992 -0.677 -11.857 1.00 2.89 C ATOM 1347 NH1 ARG A 101 -4.168 -1.295 -11.905 1.00 2.96 N ATOM 1348 NH2 ARG A 101 -1.979 -1.131 -12.584 1.00 3.87 N ATOM 0 H ARG A 101 -4.195 0.553 -6.148 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.758 -1.064 -8.582 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -2.155 1.173 -7.282 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.679 0.313 -8.733 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -4.153 2.054 -8.418 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -2.691 2.483 -9.283 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -4.602 0.217 -9.991 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -4.429 1.732 -10.855 1.00 1.40 H new ATOM 0 HE ARG A 101 -1.908 0.842 -11.075 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -4.951 -0.945 -11.353 1.00 2.96 H new ATOM 0 HH12 ARG A 101 -4.287 -2.119 -12.494 1.00 2.96 H new ATOM 0 HH21 ARG A 101 -1.077 -0.655 -12.555 1.00 3.87 H new ATOM 0 HH22 ARG A 101 -2.102 -1.956 -13.172 1.00 3.87 H new ATOM 1362 N ILE A 102 -2.620 -2.824 -7.197 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.871 -3.852 -6.479 1.00 0.43 C ATOM 1364 C ILE A 102 -0.720 -4.388 -7.325 1.00 0.45 C ATOM 1365 O ILE A 102 -0.918 -4.775 -8.479 1.00 0.56 O ATOM 1366 CB ILE A 102 -2.783 -5.035 -6.078 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.991 -4.537 -5.280 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -2.000 -6.071 -5.275 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.926 -5.640 -4.835 1.00 0.76 C ATOM 0 H ILE A 102 -3.273 -3.187 -7.891 1.00 0.43 H new ATOM 0 HA ILE A 102 -1.473 -3.381 -5.580 1.00 0.43 H new ATOM 0 HB ILE A 102 -3.146 -5.511 -6.989 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -3.637 -3.997 -4.402 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -4.548 -3.825 -5.889 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -2.660 -6.895 -5.003 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -1.175 -6.451 -5.878 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -1.606 -5.608 -4.371 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -5.757 -5.209 -4.276 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -5.311 -6.166 -5.709 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -4.385 -6.341 -4.199 1.00 0.76 H new ATOM 1381 N ARG A 103 0.474 -4.412 -6.752 1.00 0.41 N ATOM 1382 CA ARG A 103 1.628 -5.000 -7.420 1.00 0.50 C ATOM 1383 C ARG A 103 2.511 -5.720 -6.404 1.00 0.43 C ATOM 1384 O ARG A 103 2.469 -5.422 -5.209 1.00 0.53 O ATOM 1385 CB ARG A 103 2.439 -3.928 -8.175 1.00 0.65 C ATOM 1386 CG ARG A 103 2.863 -2.747 -7.300 1.00 1.12 C ATOM 1387 CD ARG A 103 3.451 -1.587 -8.116 1.00 1.27 C ATOM 1388 NE ARG A 103 2.646 -1.282 -9.301 1.00 1.83 N ATOM 1389 CZ ARG A 103 3.152 -0.877 -10.468 1.00 2.44 C ATOM 1390 NH1 ARG A 103 4.465 -0.808 -10.646 1.00 2.64 N ATOM 1391 NH2 ARG A 103 2.341 -0.565 -11.470 1.00 3.34 N ATOM 0 H ARG A 103 0.670 -4.032 -5.826 1.00 0.41 H new ATOM 0 HA ARG A 103 1.268 -5.723 -8.151 1.00 0.50 H new ATOM 0 HB2 ARG A 103 3.329 -4.391 -8.600 1.00 0.65 H new ATOM 0 HB3 ARG A 103 1.844 -3.556 -9.009 1.00 0.65 H new ATOM 0 HG2 ARG A 103 2.001 -2.389 -6.737 1.00 1.12 H new ATOM 0 HG3 ARG A 103 3.601 -3.085 -6.573 1.00 1.12 H new ATOM 0 HD2 ARG A 103 3.519 -0.700 -7.487 1.00 1.27 H new ATOM 0 HD3 ARG A 103 4.466 -1.839 -8.423 1.00 1.27 H new ATOM 0 HE ARG A 103 1.634 -1.386 -9.230 1.00 1.83 H new ATOM 0 HH11 ARG A 103 5.097 -1.066 -9.888 1.00 2.64 H new ATOM 0 HH12 ARG A 103 4.843 -0.497 -11.541 1.00 2.64 H new ATOM 0 HH21 ARG A 103 1.331 -0.634 -11.349 1.00 3.34 H new ATOM 0 HH22 ARG A 103 2.728 -0.256 -12.362 1.00 3.34 H new ATOM 1405 N LYS A 104 3.306 -6.667 -6.885 1.00 0.38 N ATOM 1406 CA LYS A 104 4.162 -7.463 -6.015 1.00 0.39 C ATOM 1407 C LYS A 104 5.609 -7.026 -6.148 1.00 0.37 C ATOM 1408 O LYS A 104 6.160 -7.012 -7.249 1.00 0.46 O ATOM 1409 CB LYS A 104 4.065 -8.948 -6.363 1.00 0.51 C ATOM 1410 CG LYS A 104 2.694 -9.567 -6.157 1.00 0.63 C ATOM 1411 CD LYS A 104 2.736 -11.048 -6.484 1.00 1.06 C ATOM 1412 CE LYS A 104 1.412 -11.737 -6.213 1.00 1.50 C ATOM 1413 NZ LYS A 104 1.532 -13.207 -6.383 1.00 1.91 N ATOM 0 H LYS A 104 3.376 -6.903 -7.875 1.00 0.38 H new ATOM 0 HA LYS A 104 3.822 -7.309 -4.991 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.354 -9.081 -7.405 1.00 0.51 H new ATOM 0 HB3 LYS A 104 4.789 -9.495 -5.759 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.373 -9.423 -5.125 1.00 0.63 H new ATOM 0 HG3 LYS A 104 1.962 -9.067 -6.791 1.00 0.63 H new ATOM 0 HD2 LYS A 104 3.003 -11.178 -7.533 1.00 1.06 H new ATOM 0 HD3 LYS A 104 3.519 -11.526 -5.894 1.00 1.06 H new ATOM 0 HE2 LYS A 104 1.081 -11.510 -5.199 1.00 1.50 H new ATOM 0 HE3 LYS A 104 0.651 -11.350 -6.891 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 0.676 -13.670 -6.016 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 1.641 -13.432 -7.392 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 2.363 -13.550 -5.860 1.00 1.91 H new ATOM 1427 N VAL A 105 6.227 -6.685 -5.030 1.00 0.35 N ATOM 1428 CA VAL A 105 7.617 -6.257 -5.023 1.00 0.39 C ATOM 1429 C VAL A 105 8.323 -6.756 -3.769 1.00 0.46 C ATOM 1430 O VAL A 105 7.710 -6.877 -2.708 1.00 0.52 O ATOM 1431 CB VAL A 105 7.753 -4.713 -5.089 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.275 -4.176 -6.428 1.00 0.43 C ATOM 1433 CG2 VAL A 105 6.987 -4.053 -3.949 1.00 0.55 C ATOM 0 H VAL A 105 5.786 -6.696 -4.110 1.00 0.35 H new ATOM 0 HA VAL A 105 8.080 -6.685 -5.912 1.00 0.39 H new ATOM 0 HB VAL A 105 8.810 -4.469 -4.983 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.382 -3.091 -6.444 1.00 0.43 H new ATOM 0 HG12 VAL A 105 7.872 -4.612 -7.229 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.227 -4.439 -6.572 1.00 0.43 H new ATOM 0 HG21 VAL A 105 7.097 -2.971 -4.016 1.00 0.55 H new ATOM 0 HG22 VAL A 105 5.932 -4.316 -4.020 1.00 0.55 H new ATOM 0 HG23 VAL A 105 7.384 -4.400 -2.995 1.00 0.55 H new ATOM 1443 N THR A 106 9.595 -7.088 -3.897 1.00 0.52 N ATOM 1444 CA THR A 106 10.427 -7.313 -2.731 1.00 0.61 C ATOM 1445 C THR A 106 11.789 -6.671 -2.951 1.00 0.58 C ATOM 1446 O THR A 106 12.705 -7.284 -3.500 1.00 0.67 O ATOM 1447 CB THR A 106 10.593 -8.820 -2.445 1.00 0.80 C ATOM 1448 OG1 THR A 106 9.301 -9.433 -2.316 1.00 1.32 O ATOM 1449 CG2 THR A 106 11.391 -9.048 -1.170 1.00 1.64 C ATOM 0 H THR A 106 10.071 -7.207 -4.791 1.00 0.52 H new ATOM 0 HA THR A 106 9.941 -6.860 -1.867 1.00 0.61 H new ATOM 0 HB THR A 106 11.135 -9.269 -3.278 1.00 0.80 H new ATOM 0 HG1 THR A 106 9.410 -10.390 -2.136 1.00 1.32 H new ATOM 0 HG21 THR A 106 11.493 -10.118 -0.991 1.00 1.64 H new ATOM 0 HG22 THR A 106 12.380 -8.601 -1.275 1.00 1.64 H new ATOM 0 HG23 THR A 106 10.872 -8.588 -0.329 1.00 1.64 H new ATOM 1457 N SER A 107 11.892 -5.427 -2.508 1.00 0.50 N ATOM 1458 CA SER A 107 13.111 -4.639 -2.598 1.00 0.51 C ATOM 1459 C SER A 107 12.807 -3.236 -2.097 1.00 0.45 C ATOM 1460 O SER A 107 11.906 -2.576 -2.616 1.00 0.44 O ATOM 1461 CB SER A 107 13.629 -4.580 -4.042 1.00 0.56 C ATOM 1462 OG SER A 107 14.764 -3.736 -4.151 1.00 1.36 O ATOM 0 H SER A 107 11.118 -4.929 -2.069 1.00 0.50 H new ATOM 0 HA SER A 107 13.887 -5.103 -1.990 1.00 0.51 H new ATOM 0 HB2 SER A 107 13.887 -5.584 -4.379 1.00 0.56 H new ATOM 0 HB3 SER A 107 12.839 -4.216 -4.699 1.00 0.56 H new ATOM 0 HG SER A 107 15.167 -3.843 -5.038 1.00 1.36 H new ATOM 1468 N PRO A 108 13.524 -2.766 -1.070 1.00 0.47 N ATOM 1469 CA PRO A 108 13.340 -1.412 -0.543 1.00 0.49 C ATOM 1470 C PRO A 108 13.614 -0.344 -1.592 1.00 0.43 C ATOM 1471 O PRO A 108 12.955 0.695 -1.620 1.00 0.47 O ATOM 1472 CB PRO A 108 14.355 -1.313 0.592 1.00 0.63 C ATOM 1473 CG PRO A 108 15.307 -2.442 0.392 1.00 0.69 C ATOM 1474 CD PRO A 108 14.547 -3.517 -0.327 1.00 0.55 C ATOM 0 HA PRO A 108 12.312 -1.245 -0.220 1.00 0.49 H new ATOM 0 HB2 PRO A 108 14.875 -0.355 0.568 1.00 0.63 H new ATOM 0 HB3 PRO A 108 13.863 -1.384 1.562 1.00 0.63 H new ATOM 0 HG2 PRO A 108 16.171 -2.122 -0.190 1.00 0.69 H new ATOM 0 HG3 PRO A 108 15.684 -2.806 1.348 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.192 -4.088 -0.995 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.099 -4.227 0.368 1.00 0.55 H new ATOM 1482 N ASP A 109 14.586 -0.612 -2.457 1.00 0.46 N ATOM 1483 CA ASP A 109 14.936 0.315 -3.526 1.00 0.50 C ATOM 1484 C ASP A 109 13.789 0.429 -4.525 1.00 0.41 C ATOM 1485 O ASP A 109 13.428 1.529 -4.948 1.00 0.44 O ATOM 1486 CB ASP A 109 16.214 -0.142 -4.232 1.00 0.64 C ATOM 1487 CG ASP A 109 16.723 0.881 -5.231 1.00 1.56 C ATOM 1488 OD1 ASP A 109 16.268 0.866 -6.392 1.00 2.22 O ATOM 1489 OD2 ASP A 109 17.589 1.701 -4.863 1.00 2.37 O ATOM 0 H ASP A 109 15.146 -1.464 -2.438 1.00 0.46 H new ATOM 0 HA ASP A 109 15.115 1.297 -3.089 1.00 0.50 H new ATOM 0 HB2 ASP A 109 16.987 -0.335 -3.488 1.00 0.64 H new ATOM 0 HB3 ASP A 109 16.024 -1.084 -4.746 1.00 0.64 H new ATOM 1494 N GLU A 110 13.209 -0.713 -4.882 1.00 0.38 N ATOM 1495 CA GLU A 110 12.061 -0.745 -5.781 1.00 0.38 C ATOM 1496 C GLU A 110 10.848 -0.099 -5.126 1.00 0.36 C ATOM 1497 O GLU A 110 10.169 0.727 -5.736 1.00 0.42 O ATOM 1498 CB GLU A 110 11.723 -2.186 -6.166 1.00 0.43 C ATOM 1499 CG GLU A 110 12.814 -2.882 -6.960 1.00 0.68 C ATOM 1500 CD GLU A 110 13.018 -2.265 -8.324 1.00 1.32 C ATOM 1501 OE1 GLU A 110 13.913 -1.410 -8.467 1.00 2.01 O ATOM 1502 OE2 GLU A 110 12.284 -2.638 -9.262 1.00 2.12 O ATOM 0 H GLU A 110 13.517 -1.631 -4.561 1.00 0.38 H new ATOM 0 HA GLU A 110 12.322 -0.185 -6.679 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.526 -2.758 -5.259 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.803 -2.189 -6.751 1.00 0.43 H new ATOM 0 HG2 GLU A 110 13.749 -2.839 -6.402 1.00 0.68 H new ATOM 0 HG3 GLU A 110 12.559 -3.936 -7.075 1.00 0.68 H new ATOM 1509 N ALA A 111 10.590 -0.478 -3.877 1.00 0.33 N ATOM 1510 CA ALA A 111 9.447 0.033 -3.132 1.00 0.35 C ATOM 1511 C ALA A 111 9.463 1.554 -3.072 1.00 0.34 C ATOM 1512 O ALA A 111 8.504 2.205 -3.483 1.00 0.41 O ATOM 1513 CB ALA A 111 9.423 -0.548 -1.726 1.00 0.38 C ATOM 0 H ALA A 111 11.163 -1.143 -3.358 1.00 0.33 H new ATOM 0 HA ALA A 111 8.543 -0.276 -3.657 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.562 -0.155 -1.185 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.351 -1.634 -1.782 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.338 -0.272 -1.202 1.00 0.38 H new ATOM 1519 N LYS A 112 10.565 2.117 -2.579 1.00 0.32 N ATOM 1520 CA LYS A 112 10.697 3.566 -2.468 1.00 0.34 C ATOM 1521 C LYS A 112 10.559 4.248 -3.823 1.00 0.37 C ATOM 1522 O LYS A 112 10.053 5.368 -3.909 1.00 0.42 O ATOM 1523 CB LYS A 112 12.033 3.946 -1.840 1.00 0.40 C ATOM 1524 CG LYS A 112 12.109 3.660 -0.350 1.00 0.48 C ATOM 1525 CD LYS A 112 13.481 3.997 0.204 1.00 0.62 C ATOM 1526 CE LYS A 112 13.855 5.446 -0.057 1.00 1.11 C ATOM 1527 NZ LYS A 112 15.240 5.750 0.376 1.00 1.51 N ATOM 0 H LYS A 112 11.376 1.592 -2.251 1.00 0.32 H new ATOM 0 HA LYS A 112 9.888 3.910 -1.824 1.00 0.34 H new ATOM 0 HB2 LYS A 112 12.831 3.403 -2.347 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.214 5.008 -2.007 1.00 0.40 H new ATOM 0 HG2 LYS A 112 11.350 4.241 0.174 1.00 0.48 H new ATOM 0 HG3 LYS A 112 11.888 2.608 -0.167 1.00 0.48 H new ATOM 0 HD2 LYS A 112 13.497 3.805 1.277 1.00 0.62 H new ATOM 0 HD3 LYS A 112 14.226 3.342 -0.248 1.00 0.62 H new ATOM 0 HE2 LYS A 112 13.753 5.661 -1.121 1.00 1.11 H new ATOM 0 HE3 LYS A 112 13.159 6.100 0.469 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 15.454 6.749 0.180 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 15.332 5.570 1.396 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 15.907 5.145 -0.144 1.00 1.51 H new ATOM 1541 N ARG A 113 11.006 3.576 -4.877 1.00 0.38 N ATOM 1542 CA ARG A 113 10.900 4.126 -6.218 1.00 0.46 C ATOM 1543 C ARG A 113 9.440 4.251 -6.623 1.00 0.43 C ATOM 1544 O ARG A 113 8.995 5.325 -7.024 1.00 0.50 O ATOM 1545 CB ARG A 113 11.654 3.262 -7.229 1.00 0.57 C ATOM 1546 CG ARG A 113 11.636 3.835 -8.635 1.00 0.77 C ATOM 1547 CD ARG A 113 12.543 3.049 -9.567 1.00 1.01 C ATOM 1548 NE ARG A 113 12.589 3.627 -10.906 1.00 1.68 N ATOM 1549 CZ ARG A 113 13.281 3.109 -11.919 1.00 2.13 C ATOM 1550 NH1 ARG A 113 13.977 1.992 -11.754 1.00 1.97 N ATOM 1551 NH2 ARG A 113 13.278 3.715 -13.101 1.00 2.96 N ATOM 0 H ARG A 113 11.442 2.655 -4.828 1.00 0.38 H new ATOM 0 HA ARG A 113 11.354 5.117 -6.212 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.688 3.150 -6.902 1.00 0.57 H new ATOM 0 HB3 ARG A 113 11.215 2.265 -7.244 1.00 0.57 H new ATOM 0 HG2 ARG A 113 10.617 3.823 -9.021 1.00 0.77 H new ATOM 0 HG3 ARG A 113 11.954 4.877 -8.609 1.00 0.77 H new ATOM 0 HD2 ARG A 113 13.550 3.018 -9.151 1.00 1.01 H new ATOM 0 HD3 ARG A 113 12.193 2.019 -9.629 1.00 1.01 H new ATOM 0 HE ARG A 113 12.058 4.481 -11.077 1.00 1.68 H new ATOM 0 HH11 ARG A 113 13.984 1.525 -10.847 1.00 1.97 H new ATOM 0 HH12 ARG A 113 14.505 1.600 -12.534 1.00 1.97 H new ATOM 0 HH21 ARG A 113 12.746 4.576 -13.232 1.00 2.96 H new ATOM 0 HH22 ARG A 113 13.807 3.320 -13.878 1.00 2.96 H new ATOM 1565 N TRP A 114 8.697 3.156 -6.488 1.00 0.39 N ATOM 1566 CA TRP A 114 7.282 3.141 -6.842 1.00 0.39 C ATOM 1567 C TRP A 114 6.502 4.172 -6.031 1.00 0.40 C ATOM 1568 O TRP A 114 5.589 4.819 -6.546 1.00 0.46 O ATOM 1569 CB TRP A 114 6.681 1.748 -6.625 1.00 0.38 C ATOM 1570 CG TRP A 114 7.208 0.700 -7.560 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.715 -0.521 -7.218 1.00 0.34 C ATOM 1572 CD2 TRP A 114 7.273 0.775 -8.989 1.00 0.66 C ATOM 1573 NE1 TRP A 114 8.087 -1.211 -8.344 1.00 0.40 N ATOM 1574 CE2 TRP A 114 7.831 -0.436 -9.445 1.00 0.63 C ATOM 1575 CE3 TRP A 114 6.916 1.747 -9.930 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 8.037 -0.699 -10.796 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 7.123 1.484 -11.270 1.00 1.29 C ATOM 1578 CH2 TRP A 114 7.678 0.271 -11.692 1.00 1.25 C ATOM 0 H TRP A 114 9.052 2.267 -6.136 1.00 0.39 H new ATOM 0 HA TRP A 114 7.205 3.398 -7.898 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.877 1.436 -5.599 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.599 1.810 -6.739 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.809 -0.890 -6.207 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.489 -2.148 -8.359 1.00 0.40 H new ATOM 0 HE3 TRP A 114 6.486 2.686 -9.614 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 8.465 -1.634 -11.125 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 6.852 2.228 -12.005 1.00 1.29 H new ATOM 0 HH2 TRP A 114 7.826 0.096 -12.747 1.00 1.25 H new ATOM 1589 N ILE A 115 6.881 4.328 -4.767 1.00 0.38 N ATOM 1590 CA ILE A 115 6.222 5.279 -3.878 1.00 0.41 C ATOM 1591 C ILE A 115 6.403 6.714 -4.379 1.00 0.47 C ATOM 1592 O ILE A 115 5.447 7.489 -4.436 1.00 0.55 O ATOM 1593 CB ILE A 115 6.764 5.168 -2.428 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.464 3.783 -1.842 1.00 0.40 C ATOM 1595 CG2 ILE A 115 6.173 6.258 -1.544 1.00 0.45 C ATOM 1596 CD1 ILE A 115 7.000 3.579 -0.440 1.00 0.44 C ATOM 0 H ILE A 115 7.643 3.807 -4.334 1.00 0.38 H new ATOM 0 HA ILE A 115 5.160 5.032 -3.875 1.00 0.41 H new ATOM 0 HB ILE A 115 7.845 5.302 -2.461 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.385 3.629 -1.834 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.889 3.023 -2.497 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.567 6.160 -0.533 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.440 7.236 -1.944 1.00 0.45 H new ATOM 0 HG23 ILE A 115 5.088 6.159 -1.521 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.747 2.576 -0.096 1.00 0.44 H new ATOM 0 HD12 ILE A 115 8.083 3.699 -0.444 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.556 4.315 0.230 1.00 0.44 H new ATOM 1608 N LYS A 116 7.624 7.054 -4.777 1.00 0.50 N ATOM 1609 CA LYS A 116 7.941 8.420 -5.176 1.00 0.60 C ATOM 1610 C LYS A 116 7.454 8.672 -6.598 1.00 0.57 C ATOM 1611 O LYS A 116 6.898 9.729 -6.899 1.00 0.69 O ATOM 1612 CB LYS A 116 9.456 8.665 -5.068 1.00 0.73 C ATOM 1613 CG LYS A 116 9.857 10.138 -4.948 1.00 1.18 C ATOM 1614 CD LYS A 116 9.660 10.913 -6.245 1.00 1.85 C ATOM 1615 CE LYS A 116 10.642 10.479 -7.324 1.00 2.50 C ATOM 1616 NZ LYS A 116 12.048 10.803 -6.961 1.00 3.13 N ATOM 0 H LYS A 116 8.408 6.404 -4.832 1.00 0.50 H new ATOM 0 HA LYS A 116 7.433 9.115 -4.507 1.00 0.60 H new ATOM 0 HB2 LYS A 116 9.837 8.127 -4.200 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.943 8.240 -5.946 1.00 0.73 H new ATOM 0 HG2 LYS A 116 9.270 10.606 -4.158 1.00 1.18 H new ATOM 0 HG3 LYS A 116 10.903 10.201 -4.648 1.00 1.18 H new ATOM 0 HD2 LYS A 116 8.641 10.768 -6.603 1.00 1.85 H new ATOM 0 HD3 LYS A 116 9.781 11.979 -6.052 1.00 1.85 H new ATOM 0 HE2 LYS A 116 10.548 9.406 -7.489 1.00 2.50 H new ATOM 0 HE3 LYS A 116 10.388 10.969 -8.264 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 12.650 10.731 -7.806 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 12.095 11.771 -6.584 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 12.383 10.134 -6.239 1.00 3.13 H new ATOM 1630 N GLU A 117 7.648 7.679 -7.454 1.00 0.53 N ATOM 1631 CA GLU A 117 7.257 7.764 -8.855 1.00 0.58 C ATOM 1632 C GLU A 117 5.767 8.076 -8.984 1.00 0.57 C ATOM 1633 O GLU A 117 5.355 8.871 -9.830 1.00 0.66 O ATOM 1634 CB GLU A 117 7.598 6.440 -9.546 1.00 0.70 C ATOM 1635 CG GLU A 117 7.002 6.276 -10.927 1.00 1.28 C ATOM 1636 CD GLU A 117 7.584 7.238 -11.941 1.00 1.51 C ATOM 1637 OE1 GLU A 117 6.844 8.117 -12.430 1.00 2.14 O ATOM 1638 OE2 GLU A 117 8.784 7.121 -12.259 1.00 1.93 O ATOM 0 H GLU A 117 8.081 6.792 -7.198 1.00 0.53 H new ATOM 0 HA GLU A 117 7.804 8.575 -9.336 1.00 0.58 H new ATOM 0 HB2 GLU A 117 8.682 6.353 -9.620 1.00 0.70 H new ATOM 0 HB3 GLU A 117 7.255 5.619 -8.917 1.00 0.70 H new ATOM 0 HG2 GLU A 117 7.166 5.254 -11.268 1.00 1.28 H new ATOM 0 HG3 GLU A 117 5.924 6.424 -10.871 1.00 1.28 H new ATOM 1645 N PHE A 118 4.969 7.478 -8.114 1.00 0.56 N ATOM 1646 CA PHE A 118 3.526 7.644 -8.170 1.00 0.66 C ATOM 1647 C PHE A 118 3.111 8.902 -7.411 1.00 0.73 C ATOM 1648 O PHE A 118 2.025 9.438 -7.617 1.00 0.88 O ATOM 1649 CB PHE A 118 2.848 6.408 -7.581 1.00 0.73 C ATOM 1650 CG PHE A 118 1.413 6.227 -7.994 1.00 0.69 C ATOM 1651 CD1 PHE A 118 1.082 5.370 -9.031 1.00 1.33 C ATOM 1652 CD2 PHE A 118 0.397 6.903 -7.343 1.00 1.27 C ATOM 1653 CE1 PHE A 118 -0.236 5.192 -9.407 1.00 1.57 C ATOM 1654 CE2 PHE A 118 -0.921 6.731 -7.716 1.00 1.56 C ATOM 1655 CZ PHE A 118 -1.238 5.873 -8.749 1.00 1.41 C ATOM 0 H PHE A 118 5.296 6.873 -7.361 1.00 0.56 H new ATOM 0 HA PHE A 118 3.214 7.756 -9.208 1.00 0.66 H new ATOM 0 HB2 PHE A 118 3.412 5.524 -7.877 1.00 0.73 H new ATOM 0 HB3 PHE A 118 2.895 6.467 -6.494 1.00 0.73 H new ATOM 0 HD1 PHE A 118 1.863 4.835 -9.551 1.00 1.33 H new ATOM 0 HD2 PHE A 118 0.638 7.574 -6.532 1.00 1.27 H new ATOM 0 HE1 PHE A 118 -0.481 4.520 -10.216 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -1.703 7.268 -7.200 1.00 1.56 H new ATOM 0 HZ PHE A 118 -2.268 5.735 -9.041 1.00 1.41 H new ATOM 1665 N SER A 119 4.004 9.393 -6.562 1.00 0.69 N ATOM 1666 CA SER A 119 3.727 10.582 -5.768 1.00 0.80 C ATOM 1667 C SER A 119 3.932 11.823 -6.618 1.00 0.79 C ATOM 1668 O SER A 119 3.546 12.930 -6.238 1.00 0.90 O ATOM 1669 CB SER A 119 4.627 10.632 -4.529 1.00 0.93 C ATOM 1670 OG SER A 119 4.350 11.780 -3.744 1.00 1.20 O ATOM 0 H SER A 119 4.926 8.986 -6.406 1.00 0.69 H new ATOM 0 HA SER A 119 2.691 10.544 -5.431 1.00 0.80 H new ATOM 0 HB2 SER A 119 4.478 9.733 -3.930 1.00 0.93 H new ATOM 0 HB3 SER A 119 5.673 10.641 -4.835 1.00 0.93 H new ATOM 0 HG SER A 119 4.100 12.524 -4.330 1.00 1.20 H new ATOM 1676 N GLU A 120 4.540 11.623 -7.775 1.00 0.81 N ATOM 1677 CA GLU A 120 4.773 12.690 -8.716 1.00 0.96 C ATOM 1678 C GLU A 120 3.564 12.830 -9.639 1.00 1.17 C ATOM 1679 O GLU A 120 3.505 13.714 -10.493 1.00 1.50 O ATOM 1680 CB GLU A 120 6.039 12.375 -9.505 1.00 1.08 C ATOM 1681 CG GLU A 120 6.546 13.523 -10.346 1.00 1.41 C ATOM 1682 CD GLU A 120 6.679 14.809 -9.557 1.00 2.00 C ATOM 1683 OE1 GLU A 120 7.690 14.973 -8.842 1.00 2.45 O ATOM 1684 OE2 GLU A 120 5.769 15.661 -9.645 1.00 2.77 O ATOM 0 H GLU A 120 4.884 10.713 -8.083 1.00 0.81 H new ATOM 0 HA GLU A 120 4.909 13.638 -8.196 1.00 0.96 H new ATOM 0 HB2 GLU A 120 6.822 12.075 -8.809 1.00 1.08 H new ATOM 0 HB3 GLU A 120 5.846 11.521 -10.154 1.00 1.08 H new ATOM 0 HG2 GLU A 120 7.515 13.259 -10.769 1.00 1.41 H new ATOM 0 HG3 GLU A 120 5.866 13.683 -11.183 1.00 1.41 H new ATOM 1691 N GLU A 121 2.594 11.950 -9.448 1.00 1.22 N ATOM 1692 CA GLU A 121 1.378 11.973 -10.235 1.00 1.56 C ATOM 1693 C GLU A 121 0.251 12.613 -9.434 1.00 2.02 C ATOM 1694 O GLU A 121 -0.021 13.808 -9.647 1.00 2.60 O ATOM 1695 CB GLU A 121 0.992 10.557 -10.652 1.00 1.96 C ATOM 1696 CG GLU A 121 -0.238 10.502 -11.536 1.00 2.47 C ATOM 1697 CD GLU A 121 -0.679 9.087 -11.814 1.00 3.35 C ATOM 1698 OE1 GLU A 121 -1.478 8.550 -11.022 1.00 4.00 O ATOM 1699 OE2 GLU A 121 -0.225 8.505 -12.822 1.00 3.84 O ATOM 1700 OXT GLU A 121 -0.345 11.925 -8.579 1.00 2.53 O ATOM 0 H GLU A 121 2.629 11.208 -8.749 1.00 1.22 H new ATOM 0 HA GLU A 121 1.551 12.565 -11.134 1.00 1.56 H new ATOM 0 HB2 GLU A 121 1.830 10.101 -11.180 1.00 1.96 H new ATOM 0 HB3 GLU A 121 0.815 9.959 -9.758 1.00 1.96 H new ATOM 0 HG2 GLU A 121 -1.052 11.047 -11.057 1.00 2.47 H new ATOM 0 HG3 GLU A 121 -0.028 11.007 -12.479 1.00 2.47 H new TER 1707 GLU A 121