USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 488 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 2 LYS NZ :NH3+ -170:sc= -0.0393 (180deg=-0.25) USER MOD Single : A 4 ASN : amide:sc= -0.587 K(o=-0.59,f=-5.9!) USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= 0.916 (180deg=0.878) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00533 USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= 0.201 (180deg=0.0938) USER MOD Single : A 19 ASN : amide:sc= -0.411 K(o=-0.41,f=-3.7!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= 0.768 (180deg=0.767) USER MOD Single : A 24 MET CE :methyl -132:sc= 0 (180deg=-1.06) USER MOD Single : A 26 MET CE :methyl -162:sc= 0 (180deg=-0.244) USER MOD Single : A 27 MET CE :methyl -166:sc= -0.0163 (180deg=-0.266) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.726 K(o=0.73,f=-3.6!) USER MOD Single : A 46 SER OG : rot -17:sc= 1.3 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.0479 K(o=0.048,f=-4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 60 ASN : amide:sc= -7.09! C(o=-7.1!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 40 N LYS A 2 -6.922 4.818 -3.411 1.00 0.00 N ATOM 41 CA LYS A 2 -7.405 3.622 -2.744 1.00 0.00 C ATOM 42 C LYS A 2 -6.310 2.556 -2.759 1.00 0.00 C ATOM 43 O LYS A 2 -5.628 2.374 -3.768 1.00 0.00 O ATOM 44 CB LYS A 2 -8.677 3.100 -3.413 1.00 0.00 C ATOM 45 CG LYS A 2 -9.751 4.158 -3.634 1.00 0.00 C ATOM 46 CD LYS A 2 -10.285 4.688 -2.312 1.00 0.00 C ATOM 47 CE LYS A 2 -11.437 5.659 -2.528 1.00 0.00 C ATOM 48 NZ LYS A 2 -11.047 6.794 -3.408 1.00 0.00 N ATOM 0 HA LYS A 2 -7.652 3.867 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.413 2.661 -4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.093 2.300 -2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.339 4.981 -4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.569 3.733 -4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.620 3.856 -1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.483 5.187 -1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.280 5.129 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.773 6.044 -1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.795 7.516 -3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.158 7.210 -3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.914 6.450 -4.380 1.00 0.00 H new ATOM 62 N CYS A 3 -6.172 1.876 -1.628 1.00 0.00 N ATOM 63 CA CYS A 3 -5.169 0.832 -1.500 1.00 0.00 C ATOM 64 C CYS A 3 -5.878 -0.475 -1.148 1.00 0.00 C ATOM 65 O CYS A 3 -6.950 -0.460 -0.540 1.00 0.00 O ATOM 66 CB CYS A 3 -4.102 1.199 -0.469 1.00 0.00 C ATOM 67 SG CYS A 3 -3.190 2.747 -0.821 1.00 0.00 S ATOM 0 H CYS A 3 -6.738 2.028 -0.793 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.641 0.713 -2.446 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.577 1.289 0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.386 0.380 -0.401 1.00 0.00 H new ATOM 73 N ASN A 4 -5.257 -1.575 -1.544 1.00 0.00 N ATOM 74 CA ASN A 4 -5.871 -2.883 -1.385 1.00 0.00 C ATOM 75 C ASN A 4 -5.712 -3.343 0.064 1.00 0.00 C ATOM 76 O ASN A 4 -4.737 -2.992 0.727 1.00 0.00 O ATOM 77 CB ASN A 4 -5.285 -3.902 -2.345 1.00 0.00 C ATOM 78 CG ASN A 4 -5.661 -3.667 -3.782 1.00 0.00 C ATOM 79 OD1 ASN A 4 -6.781 -3.244 -4.091 1.00 0.00 O ATOM 80 ND2 ASN A 4 -4.760 -4.015 -4.665 1.00 0.00 N ATOM 0 H ASN A 4 -4.333 -1.588 -1.976 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.931 -2.799 -1.624 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.199 -3.888 -2.256 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.616 -4.898 -2.050 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.968 -3.943 -5.661 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.850 -4.358 -4.357 1.00 0.00 H new ATOM 87 N LYS A 5 -6.683 -4.125 0.515 1.00 0.00 N ATOM 88 CA LYS A 5 -6.636 -4.680 1.856 1.00 0.00 C ATOM 89 C LYS A 5 -7.097 -6.138 1.816 1.00 0.00 C ATOM 90 O LYS A 5 -6.275 -7.050 1.727 1.00 0.00 O ATOM 91 CB LYS A 5 -7.504 -3.863 2.814 1.00 0.00 C ATOM 92 CG LYS A 5 -7.078 -2.407 2.962 1.00 0.00 C ATOM 93 CD LYS A 5 -5.755 -2.291 3.704 1.00 0.00 C ATOM 94 CE LYS A 5 -5.291 -0.843 3.783 1.00 0.00 C ATOM 95 NZ LYS A 5 -4.244 -0.652 4.825 1.00 0.00 N ATOM 0 H LYS A 5 -7.507 -4.387 -0.026 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.611 -4.638 2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.536 -3.893 2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.485 -4.336 3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.986 -1.951 1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.848 -1.853 3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.863 -2.696 4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.998 -2.891 3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.900 -0.534 2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.143 -0.200 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.040 0.362 4.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.583 -1.033 5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.377 -1.152 4.542 1.00 0.00 H new ATOM 109 N LEU A 6 -8.408 -6.314 1.881 1.00 0.00 N ATOM 110 CA LEU A 6 -8.986 -7.646 1.863 1.00 0.00 C ATOM 111 C LEU A 6 -9.160 -8.104 0.414 1.00 0.00 C ATOM 112 O LEU A 6 -9.587 -7.328 -0.439 1.00 0.00 O ATOM 113 CB LEU A 6 -10.326 -7.662 2.611 1.00 0.00 C ATOM 114 CG LEU A 6 -11.012 -9.031 2.691 1.00 0.00 C ATOM 115 CD1 LEU A 6 -10.175 -9.986 3.531 1.00 0.00 C ATOM 116 CD2 LEU A 6 -12.404 -8.868 3.284 1.00 0.00 C ATOM 0 H LEU A 6 -9.087 -5.555 1.946 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.315 -8.338 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.163 -7.295 3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -11.004 -6.961 2.124 1.00 0.00 H new ATOM 0 HG LEU A 6 -11.105 -9.451 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.670 -10.956 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.192 -10.104 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -10.063 -9.583 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.892 -9.841 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -12.326 -8.442 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -12.993 -8.203 2.652 1.00 0.00 H new ATOM 128 N VAL A 7 -8.818 -9.363 0.180 1.00 0.00 N ATOM 129 CA VAL A 7 -8.975 -9.947 -1.141 1.00 0.00 C ATOM 130 C VAL A 7 -10.465 -10.074 -1.466 1.00 0.00 C ATOM 131 O VAL A 7 -11.293 -10.184 -0.562 1.00 0.00 O ATOM 132 CB VAL A 7 -8.301 -11.328 -1.242 1.00 0.00 C ATOM 133 CG1 VAL A 7 -6.805 -11.210 -0.993 1.00 0.00 C ATOM 134 CG2 VAL A 7 -8.929 -12.301 -0.255 1.00 0.00 C ATOM 0 H VAL A 7 -8.433 -9.994 0.883 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.487 -9.289 -1.860 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.454 -11.713 -2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.345 -12.195 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.364 -10.546 -1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.633 -10.804 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.441 -13.272 -0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.806 -11.921 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.991 -12.409 -0.476 1.00 0.00 H new ATOM 144 N PRO A 8 -10.769 -10.058 -2.791 1.00 0.00 N ATOM 145 CA PRO A 8 -9.725 -9.961 -3.797 1.00 0.00 C ATOM 146 C PRO A 8 -9.328 -8.502 -4.035 1.00 0.00 C ATOM 147 O PRO A 8 -8.144 -8.188 -4.154 1.00 0.00 O ATOM 148 CB PRO A 8 -10.346 -10.605 -5.041 1.00 0.00 C ATOM 149 CG PRO A 8 -11.798 -10.284 -4.939 1.00 0.00 C ATOM 150 CD PRO A 8 -12.101 -10.269 -3.465 1.00 0.00 C ATOM 0 HA PRO A 8 -8.801 -10.459 -3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.913 -10.201 -5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.177 -11.682 -5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.020 -9.320 -5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.402 -11.029 -5.457 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.800 -9.471 -3.215 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.559 -11.206 -3.147 1.00 0.00 H new ATOM 158 N ILE A 9 -10.339 -7.649 -4.099 1.00 0.00 N ATOM 159 CA ILE A 9 -10.150 -6.299 -4.600 1.00 0.00 C ATOM 160 C ILE A 9 -10.425 -5.299 -3.476 1.00 0.00 C ATOM 161 O ILE A 9 -10.051 -4.131 -3.572 1.00 0.00 O ATOM 162 CB ILE A 9 -11.000 -6.067 -5.851 1.00 0.00 C ATOM 163 CG1 ILE A 9 -10.654 -7.081 -6.944 1.00 0.00 C ATOM 164 CG2 ILE A 9 -10.868 -4.626 -6.343 1.00 0.00 C ATOM 165 CD1 ILE A 9 -9.182 -6.973 -7.346 1.00 0.00 C ATOM 0 H ILE A 9 -11.293 -7.867 -3.812 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.117 -6.151 -4.913 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.046 -6.222 -5.588 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.865 -8.090 -6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.286 -6.911 -7.816 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.482 -4.488 -7.233 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.202 -3.943 -5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.826 -4.418 -6.585 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.963 -7.704 -8.124 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.980 -5.970 -7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.552 -7.167 -6.478 1.00 0.00 H new ATOM 177 N ALA A 10 -11.079 -5.793 -2.434 1.00 0.00 N ATOM 178 CA ALA A 10 -11.543 -4.927 -1.362 1.00 0.00 C ATOM 179 C ALA A 10 -10.446 -3.920 -1.015 1.00 0.00 C ATOM 180 O ALA A 10 -9.280 -4.291 -0.872 1.00 0.00 O ATOM 181 CB ALA A 10 -11.952 -5.780 -0.160 1.00 0.00 C ATOM 0 H ALA A 10 -11.298 -6.781 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.421 -4.363 -1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.300 -5.132 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.753 -6.459 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.094 -6.358 0.185 1.00 0.00 H new ATOM 187 N TYR A 11 -10.855 -2.667 -0.888 1.00 0.00 N ATOM 188 CA TYR A 11 -9.903 -1.581 -0.722 1.00 0.00 C ATOM 189 C TYR A 11 -10.352 -0.624 0.381 1.00 0.00 C ATOM 190 O TYR A 11 -11.522 -0.613 0.762 1.00 0.00 O ATOM 191 CB TYR A 11 -9.722 -0.824 -2.039 1.00 0.00 C ATOM 192 CG TYR A 11 -10.998 -0.219 -2.579 1.00 0.00 C ATOM 193 CD1 TYR A 11 -11.378 1.070 -2.234 1.00 0.00 C ATOM 194 CD2 TYR A 11 -11.819 -0.937 -3.436 1.00 0.00 C ATOM 195 CE1 TYR A 11 -12.543 1.628 -2.723 1.00 0.00 C ATOM 196 CE2 TYR A 11 -12.986 -0.390 -3.932 1.00 0.00 C ATOM 197 CZ TYR A 11 -13.345 0.894 -3.573 1.00 0.00 C ATOM 198 OH TYR A 11 -14.506 1.444 -4.065 1.00 0.00 O ATOM 0 H TYR A 11 -11.833 -2.379 -0.897 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.946 -2.012 -0.430 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.989 -0.031 -1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.311 -1.505 -2.784 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.751 1.648 -1.571 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -11.541 -1.941 -3.720 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -12.824 2.632 -2.442 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.615 -0.964 -4.597 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.953 0.796 -4.649 1.00 0.00 H new ATOM 208 N LYS A 12 -9.399 0.159 0.867 1.00 0.00 N ATOM 209 CA LYS A 12 -9.703 1.187 1.849 1.00 0.00 C ATOM 210 C LYS A 12 -9.227 2.543 1.323 1.00 0.00 C ATOM 211 O LYS A 12 -8.320 2.610 0.495 1.00 0.00 O ATOM 212 CB LYS A 12 -9.049 0.867 3.193 1.00 0.00 C ATOM 213 CG LYS A 12 -9.755 -0.219 3.993 1.00 0.00 C ATOM 214 CD LYS A 12 -9.121 -0.397 5.365 1.00 0.00 C ATOM 215 CE LYS A 12 -9.857 -1.447 6.185 1.00 0.00 C ATOM 216 NZ LYS A 12 -9.301 -1.571 7.558 1.00 0.00 N ATOM 0 H LYS A 12 -8.416 0.102 0.599 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.781 1.222 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.018 0.560 3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.013 1.777 3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.808 0.037 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.714 -1.161 3.446 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.077 -0.689 5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.129 0.554 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.914 -1.186 6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.794 -2.411 5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.830 -2.296 8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.299 -1.845 7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.384 -0.658 8.050 1.00 0.00 H new ATOM 230 N THR A 13 -9.861 3.591 1.828 1.00 0.00 N ATOM 231 CA THR A 13 -9.581 4.936 1.350 1.00 0.00 C ATOM 232 C THR A 13 -8.352 5.507 2.057 1.00 0.00 C ATOM 233 O THR A 13 -8.267 5.482 3.284 1.00 0.00 O ATOM 234 CB THR A 13 -10.780 5.876 1.568 1.00 0.00 C ATOM 235 OG1 THR A 13 -11.927 5.359 0.881 1.00 0.00 O ATOM 236 CG2 THR A 13 -10.466 7.270 1.047 1.00 0.00 C ATOM 0 H THR A 13 -10.567 3.537 2.562 1.00 0.00 H new ATOM 0 HA THR A 13 -9.389 4.867 0.279 1.00 0.00 H new ATOM 0 HB THR A 13 -10.986 5.937 2.637 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.690 5.958 1.022 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.325 7.921 1.209 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.602 7.670 1.577 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.246 7.219 -0.019 1.00 0.00 H new ATOM 244 N CYS A 14 -7.426 6.010 1.252 1.00 0.00 N ATOM 245 CA CYS A 14 -6.187 6.552 1.783 1.00 0.00 C ATOM 246 C CYS A 14 -6.512 7.836 2.549 1.00 0.00 C ATOM 247 O CYS A 14 -7.440 8.558 2.191 1.00 0.00 O ATOM 248 CB CYS A 14 -5.155 6.793 0.679 1.00 0.00 C ATOM 249 SG CYS A 14 -4.478 5.273 -0.084 1.00 0.00 S ATOM 0 H CYS A 14 -7.510 6.053 0.236 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.734 5.830 2.462 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.613 7.401 -0.101 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.330 7.374 1.092 1.00 0.00 H new ATOM 255 N PRO A 15 -5.708 8.088 3.617 1.00 0.00 N ATOM 256 CA PRO A 15 -5.893 9.279 4.428 1.00 0.00 C ATOM 257 C PRO A 15 -5.348 10.518 3.715 1.00 0.00 C ATOM 258 O PRO A 15 -4.450 10.412 2.880 1.00 0.00 O ATOM 259 CB PRO A 15 -5.130 8.970 5.721 1.00 0.00 C ATOM 260 CG PRO A 15 -4.021 8.071 5.292 1.00 0.00 C ATOM 261 CD PRO A 15 -4.594 7.235 4.179 1.00 0.00 C ATOM 0 HA PRO A 15 -6.942 9.505 4.621 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.747 9.880 6.184 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.773 8.485 6.455 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.160 8.645 4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.680 7.446 6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.843 7.010 3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.970 6.281 4.549 1.00 0.00 H new ATOM 269 N GLU A 16 -5.912 11.662 4.071 1.00 0.00 N ATOM 270 CA GLU A 16 -5.488 12.920 3.479 1.00 0.00 C ATOM 271 C GLU A 16 -3.986 13.125 3.687 1.00 0.00 C ATOM 272 O GLU A 16 -3.472 12.904 4.784 1.00 0.00 O ATOM 273 CB GLU A 16 -6.276 14.088 4.077 1.00 0.00 C ATOM 274 CG GLU A 16 -5.929 15.448 3.487 1.00 0.00 C ATOM 275 CD GLU A 16 -6.776 16.535 4.088 1.00 0.00 C ATOM 276 OE1 GLU A 16 -7.606 16.230 4.909 1.00 0.00 O ATOM 277 OE2 GLU A 16 -6.518 17.683 3.810 1.00 0.00 O ATOM 0 H GLU A 16 -6.658 11.745 4.761 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.689 12.884 2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.341 13.904 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.100 14.116 5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.875 15.665 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.074 15.426 2.407 1.00 0.00 H new ATOM 285 N GLY A 17 -3.325 13.543 2.618 1.00 0.00 N ATOM 286 CA GLY A 17 -1.893 13.785 2.672 1.00 0.00 C ATOM 287 C GLY A 17 -1.112 12.588 2.126 1.00 0.00 C ATOM 288 O GLY A 17 0.055 12.717 1.760 1.00 0.00 O ATOM 0 H GLY A 17 -3.754 13.720 1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.650 14.676 2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.592 13.981 3.701 1.00 0.00 H new ATOM 292 N LYS A 18 -1.791 11.449 2.087 1.00 0.00 N ATOM 293 CA LYS A 18 -1.200 10.248 1.522 1.00 0.00 C ATOM 294 C LYS A 18 -1.792 9.997 0.135 1.00 0.00 C ATOM 295 O LYS A 18 -2.945 10.340 -0.125 1.00 0.00 O ATOM 296 CB LYS A 18 -1.434 9.045 2.438 1.00 0.00 C ATOM 297 CG LYS A 18 -1.033 9.272 3.889 1.00 0.00 C ATOM 298 CD LYS A 18 0.435 9.653 4.005 1.00 0.00 C ATOM 299 CE LYS A 18 0.871 9.749 5.460 1.00 0.00 C ATOM 300 NZ LYS A 18 2.213 10.378 5.599 1.00 0.00 N ATOM 0 H LYS A 18 -2.742 11.334 2.437 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.123 10.389 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.490 8.777 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.876 8.193 2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.650 10.060 4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.223 8.367 4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.046 8.913 3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.605 10.609 3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.138 10.330 6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.891 8.752 5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.568 10.228 6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.870 9.948 4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.139 11.398 5.412 1.00 0.00 H new ATOM 314 N ASN A 19 -0.977 9.400 -0.723 1.00 0.00 N ATOM 315 CA ASN A 19 -1.301 9.328 -2.138 1.00 0.00 C ATOM 316 C ASN A 19 -1.027 7.913 -2.647 1.00 0.00 C ATOM 317 O ASN A 19 -1.878 7.306 -3.294 1.00 0.00 O ATOM 318 CB ASN A 19 -0.528 10.354 -2.947 1.00 0.00 C ATOM 319 CG ASN A 19 -0.874 10.356 -4.410 1.00 0.00 C ATOM 320 OD1 ASN A 19 -0.561 9.412 -5.144 1.00 0.00 O ATOM 321 ND2 ASN A 19 -1.447 11.446 -4.853 1.00 0.00 N ATOM 0 H ASN A 19 -0.093 8.962 -0.465 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.359 9.560 -2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.718 11.346 -2.536 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.539 10.162 -2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.655 11.545 -5.847 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.685 12.197 -4.205 1.00 0.00 H new ATOM 328 N LEU A 20 0.167 7.428 -2.339 1.00 0.00 N ATOM 329 CA LEU A 20 0.683 6.236 -2.990 1.00 0.00 C ATOM 330 C LEU A 20 0.194 4.998 -2.237 1.00 0.00 C ATOM 331 O LEU A 20 -0.128 5.074 -1.052 1.00 0.00 O ATOM 332 CB LEU A 20 2.215 6.274 -3.049 1.00 0.00 C ATOM 333 CG LEU A 20 2.815 7.566 -3.617 1.00 0.00 C ATOM 334 CD1 LEU A 20 4.336 7.504 -3.565 1.00 0.00 C ATOM 335 CD2 LEU A 20 2.333 7.766 -5.046 1.00 0.00 C ATOM 0 H LEU A 20 0.792 7.840 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 20 0.315 6.195 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.605 6.123 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.560 5.435 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 20 2.488 8.413 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.752 8.426 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.660 7.384 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.686 6.658 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.760 8.684 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.648 6.921 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.245 7.836 -5.057 1.00 0.00 H new ATOM 347 N CYS A 21 0.153 3.883 -2.954 1.00 0.00 N ATOM 348 CA CYS A 21 -0.231 2.619 -2.353 1.00 0.00 C ATOM 349 C CYS A 21 0.986 1.693 -2.362 1.00 0.00 C ATOM 350 O CYS A 21 1.613 1.496 -3.401 1.00 0.00 O ATOM 351 CB CYS A 21 -1.431 1.993 -3.067 1.00 0.00 C ATOM 352 SG CYS A 21 -3.015 2.879 -2.828 1.00 0.00 S ATOM 0 H CYS A 21 0.380 3.831 -3.947 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.551 2.786 -1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.216 1.944 -4.134 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.549 0.967 -2.718 1.00 0.00 H new ATOM 358 N TYR A 22 1.283 1.146 -1.192 1.00 0.00 N ATOM 359 CA TYR A 22 2.457 0.303 -1.038 1.00 0.00 C ATOM 360 C TYR A 22 2.067 -1.092 -0.545 1.00 0.00 C ATOM 361 O TYR A 22 0.988 -1.279 0.015 1.00 0.00 O ATOM 362 CB TYR A 22 3.452 0.948 -0.070 1.00 0.00 C ATOM 363 CG TYR A 22 2.997 0.940 1.373 1.00 0.00 C ATOM 364 CD1 TYR A 22 3.250 -0.150 2.193 1.00 0.00 C ATOM 365 CD2 TYR A 22 2.320 2.023 1.912 1.00 0.00 C ATOM 366 CE1 TYR A 22 2.837 -0.164 3.512 1.00 0.00 C ATOM 367 CE2 TYR A 22 1.902 2.021 3.229 1.00 0.00 C ATOM 368 CZ TYR A 22 2.163 0.925 4.025 1.00 0.00 C ATOM 369 OH TYR A 22 1.751 0.919 5.338 1.00 0.00 O ATOM 0 H TYR A 22 0.732 1.270 -0.343 1.00 0.00 H new ATOM 0 HA TYR A 22 2.931 0.200 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.406 0.425 -0.143 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.629 1.978 -0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.779 -1.003 1.794 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.116 2.883 1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.040 -1.021 4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.374 2.872 3.633 1.00 0.00 H new ATOM 0 HH TYR A 22 1.292 1.761 5.541 1.00 0.00 H new ATOM 379 N LYS A 23 2.968 -2.037 -0.771 1.00 0.00 N ATOM 380 CA LYS A 23 2.823 -3.365 -0.198 1.00 0.00 C ATOM 381 C LYS A 23 4.129 -3.766 0.490 1.00 0.00 C ATOM 382 O LYS A 23 5.206 -3.340 0.079 1.00 0.00 O ATOM 383 CB LYS A 23 2.442 -4.383 -1.275 1.00 0.00 C ATOM 384 CG LYS A 23 3.463 -4.523 -2.396 1.00 0.00 C ATOM 385 CD LYS A 23 3.020 -5.557 -3.422 1.00 0.00 C ATOM 386 CE LYS A 23 1.562 -5.363 -3.809 1.00 0.00 C ATOM 387 NZ LYS A 23 1.137 -6.314 -4.872 1.00 0.00 N ATOM 0 H LYS A 23 3.802 -1.909 -1.344 1.00 0.00 H new ATOM 0 HA LYS A 23 2.021 -3.349 0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.301 -5.356 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.483 -4.096 -1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.603 -3.559 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.427 -4.812 -1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.647 -5.483 -4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.160 -6.559 -3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.932 -5.497 -2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.412 -4.341 -4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.142 -6.137 -5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.732 -6.181 -5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.240 -7.290 -4.526 1.00 0.00 H new ATOM 401 N MET A 24 3.989 -4.581 1.525 1.00 0.00 N ATOM 402 CA MET A 24 5.137 -4.994 2.313 1.00 0.00 C ATOM 403 C MET A 24 5.370 -6.502 2.195 1.00 0.00 C ATOM 404 O MET A 24 4.428 -7.287 2.292 1.00 0.00 O ATOM 405 CB MET A 24 4.939 -4.597 3.776 1.00 0.00 C ATOM 406 CG MET A 24 4.819 -3.098 4.009 1.00 0.00 C ATOM 407 SD MET A 24 4.723 -2.674 5.760 1.00 0.00 S ATOM 408 CE MET A 24 3.058 -3.208 6.146 1.00 0.00 C ATOM 0 H MET A 24 3.097 -4.966 1.836 1.00 0.00 H new ATOM 0 HA MET A 24 6.020 -4.486 1.925 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.040 -5.084 4.154 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.777 -4.977 4.360 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.677 -2.595 3.564 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.931 -2.725 3.499 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.541 -2.420 6.693 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.521 -3.421 5.222 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.098 -4.109 6.758 1.00 0.00 H new ATOM 418 N PHE A 25 6.628 -6.860 1.988 1.00 0.00 N ATOM 419 CA PHE A 25 7.015 -8.260 1.971 1.00 0.00 C ATOM 420 C PHE A 25 7.876 -8.607 3.186 1.00 0.00 C ATOM 421 O PHE A 25 8.323 -7.718 3.909 1.00 0.00 O ATOM 422 CB PHE A 25 7.838 -8.481 0.699 1.00 0.00 C ATOM 423 CG PHE A 25 7.063 -8.223 -0.596 1.00 0.00 C ATOM 424 CD1 PHE A 25 6.981 -6.963 -1.100 1.00 0.00 C ATOM 425 CD2 PHE A 25 6.456 -9.256 -1.243 1.00 0.00 C ATOM 426 CE1 PHE A 25 6.260 -6.725 -2.302 1.00 0.00 C ATOM 427 CE2 PHE A 25 5.737 -9.018 -2.443 1.00 0.00 C ATOM 428 CZ PHE A 25 5.655 -7.757 -2.946 1.00 0.00 C ATOM 0 H PHE A 25 7.393 -6.204 1.830 1.00 0.00 H new ATOM 0 HA PHE A 25 6.127 -8.891 1.997 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.710 -7.828 0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.208 -9.506 0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.463 -6.144 -0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.522 -10.257 -0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.193 -5.724 -2.703 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.255 -9.837 -2.956 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.108 -7.576 -3.859 1.00 0.00 H new ATOM 438 N MET A 26 8.082 -9.902 3.375 1.00 0.00 N ATOM 439 CA MET A 26 9.124 -10.372 4.271 1.00 0.00 C ATOM 440 C MET A 26 10.182 -11.176 3.511 1.00 0.00 C ATOM 441 O MET A 26 9.854 -11.927 2.594 1.00 0.00 O ATOM 442 CB MET A 26 8.515 -11.214 5.389 1.00 0.00 C ATOM 443 CG MET A 26 7.561 -10.456 6.301 1.00 0.00 C ATOM 444 SD MET A 26 6.841 -11.504 7.581 1.00 0.00 S ATOM 445 CE MET A 26 5.782 -10.331 8.422 1.00 0.00 C ATOM 0 H MET A 26 7.544 -10.641 2.922 1.00 0.00 H new ATOM 0 HA MET A 26 9.614 -9.503 4.710 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.982 -12.055 4.945 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.321 -11.631 5.993 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.094 -9.630 6.771 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.762 -10.020 5.702 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.519 -10.719 9.406 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.307 -9.382 8.534 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.874 -10.177 7.839 1.00 0.00 H new ATOM 455 N MET A 27 11.428 -10.991 3.919 1.00 0.00 N ATOM 456 CA MET A 27 12.547 -11.566 3.194 1.00 0.00 C ATOM 457 C MET A 27 12.296 -13.043 2.879 1.00 0.00 C ATOM 458 O MET A 27 12.789 -13.561 1.878 1.00 0.00 O ATOM 459 CB MET A 27 13.834 -11.402 4.001 1.00 0.00 C ATOM 460 CG MET A 27 14.405 -9.991 3.995 1.00 0.00 C ATOM 461 SD MET A 27 14.777 -9.398 2.332 1.00 0.00 S ATOM 462 CE MET A 27 16.129 -10.481 1.881 1.00 0.00 C ATOM 0 H MET A 27 11.688 -10.450 4.744 1.00 0.00 H new ATOM 0 HA MET A 27 12.653 -11.035 2.248 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.642 -11.699 5.032 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.585 -12.086 3.607 1.00 0.00 H new ATOM 0 HG2 MET A 27 13.694 -9.313 4.467 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.314 -9.969 4.596 1.00 0.00 H new ATOM 0 HE1 MET A 27 16.630 -10.088 0.996 1.00 0.00 H new ATOM 0 HE2 MET A 27 16.840 -10.538 2.705 1.00 0.00 H new ATOM 0 HE3 MET A 27 15.741 -11.477 1.666 1.00 0.00 H new ATOM 472 N SER A 28 11.530 -13.679 3.753 1.00 0.00 N ATOM 473 CA SER A 28 11.091 -15.042 3.509 1.00 0.00 C ATOM 474 C SER A 28 10.177 -15.087 2.285 1.00 0.00 C ATOM 475 O SER A 28 10.531 -15.668 1.262 1.00 0.00 O ATOM 476 CB SER A 28 10.383 -15.595 4.732 1.00 0.00 C ATOM 477 OG SER A 28 9.946 -16.911 4.538 1.00 0.00 O ATOM 0 H SER A 28 11.202 -13.276 4.631 1.00 0.00 H new ATOM 0 HA SER A 28 11.963 -15.665 3.311 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.058 -15.560 5.587 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.529 -14.962 4.973 1.00 0.00 H new ATOM 0 HG SER A 28 9.497 -17.230 5.349 1.00 0.00 H new ATOM 483 N ASP A 29 9.015 -14.465 2.430 1.00 0.00 N ATOM 484 CA ASP A 29 8.009 -14.505 1.384 1.00 0.00 C ATOM 485 C ASP A 29 8.118 -13.242 0.528 1.00 0.00 C ATOM 486 O ASP A 29 7.394 -12.274 0.750 1.00 0.00 O ATOM 487 CB ASP A 29 6.606 -14.636 1.981 1.00 0.00 C ATOM 488 CG ASP A 29 5.503 -14.855 0.953 1.00 0.00 C ATOM 489 OD1 ASP A 29 5.810 -14.927 -0.214 1.00 0.00 O ATOM 490 OD2 ASP A 29 4.390 -15.103 1.350 1.00 0.00 O ATOM 0 H ASP A 29 8.749 -13.931 3.257 1.00 0.00 H new ATOM 0 HA ASP A 29 8.183 -15.379 0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.600 -15.468 2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.381 -13.734 2.551 1.00 0.00 H new ATOM 496 N LEU A 30 9.030 -13.292 -0.432 1.00 0.00 N ATOM 497 CA LEU A 30 9.176 -12.204 -1.385 1.00 0.00 C ATOM 498 C LEU A 30 8.077 -12.308 -2.444 1.00 0.00 C ATOM 499 O LEU A 30 7.769 -11.330 -3.122 1.00 0.00 O ATOM 500 CB LEU A 30 10.568 -12.235 -2.030 1.00 0.00 C ATOM 501 CG LEU A 30 11.650 -11.442 -1.286 1.00 0.00 C ATOM 502 CD1 LEU A 30 11.108 -10.941 0.045 1.00 0.00 C ATOM 503 CD2 LEU A 30 12.871 -12.323 -1.074 1.00 0.00 C ATOM 0 H LEU A 30 9.676 -14.069 -0.571 1.00 0.00 H new ATOM 0 HA LEU A 30 9.075 -11.252 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.891 -13.273 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.489 -11.847 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 30 11.941 -10.577 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.884 -10.379 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.249 -10.294 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.803 -11.790 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.639 -11.759 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.592 -13.196 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.258 -12.646 -2.040 1.00 0.00 H new ATOM 515 N THR A 31 7.515 -13.502 -2.554 1.00 0.00 N ATOM 516 CA THR A 31 6.574 -13.793 -3.622 1.00 0.00 C ATOM 517 C THR A 31 5.246 -13.080 -3.370 1.00 0.00 C ATOM 518 O THR A 31 4.676 -12.480 -4.282 1.00 0.00 O ATOM 519 CB THR A 31 6.324 -15.306 -3.763 1.00 0.00 C ATOM 520 OG1 THR A 31 7.558 -15.971 -4.061 1.00 0.00 O ATOM 521 CG2 THR A 31 5.322 -15.580 -4.873 1.00 0.00 C ATOM 0 H THR A 31 7.693 -14.281 -1.920 1.00 0.00 H new ATOM 0 HA THR A 31 7.015 -13.430 -4.551 1.00 0.00 H new ATOM 0 HB THR A 31 5.919 -15.682 -2.823 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.398 -16.934 -4.149 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.158 -16.654 -4.958 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.378 -15.086 -4.641 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.710 -15.197 -5.817 1.00 0.00 H new ATOM 529 N ILE A 32 4.789 -13.165 -2.128 1.00 0.00 N ATOM 530 CA ILE A 32 3.485 -12.633 -1.772 1.00 0.00 C ATOM 531 C ILE A 32 3.638 -11.653 -0.608 1.00 0.00 C ATOM 532 O ILE A 32 4.207 -11.995 0.427 1.00 0.00 O ATOM 533 CB ILE A 32 2.497 -13.750 -1.385 1.00 0.00 C ATOM 534 CG1 ILE A 32 2.216 -14.654 -2.588 1.00 0.00 C ATOM 535 CG2 ILE A 32 1.205 -13.155 -0.849 1.00 0.00 C ATOM 536 CD1 ILE A 32 1.549 -13.943 -3.744 1.00 0.00 C ATOM 0 H ILE A 32 5.299 -13.595 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 32 3.080 -12.121 -2.645 1.00 0.00 H new ATOM 0 HB ILE A 32 2.948 -14.355 -0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.155 -15.086 -2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.583 -15.482 -2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.519 -13.958 -0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.421 -12.552 0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.748 -12.528 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.383 -14.649 -4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.593 -13.534 -3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.190 -13.133 -4.092 1.00 0.00 H new ATOM 548 N PRO A 33 3.107 -10.420 -0.824 1.00 0.00 N ATOM 549 CA PRO A 33 3.139 -9.399 0.212 1.00 0.00 C ATOM 550 C PRO A 33 2.170 -9.739 1.346 1.00 0.00 C ATOM 551 O PRO A 33 1.232 -10.514 1.156 1.00 0.00 O ATOM 552 CB PRO A 33 2.747 -8.112 -0.521 1.00 0.00 C ATOM 553 CG PRO A 33 1.879 -8.573 -1.642 1.00 0.00 C ATOM 554 CD PRO A 33 2.451 -9.897 -2.072 1.00 0.00 C ATOM 0 HA PRO A 33 4.113 -9.309 0.692 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.214 -7.426 0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.625 -7.582 -0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.843 -8.679 -1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.885 -7.857 -2.464 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.674 -10.572 -2.430 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.169 -9.779 -2.883 1.00 0.00 H new ATOM 562 N VAL A 34 2.428 -9.143 2.500 1.00 0.00 N ATOM 563 CA VAL A 34 1.788 -9.582 3.729 1.00 0.00 C ATOM 564 C VAL A 34 0.808 -8.504 4.201 1.00 0.00 C ATOM 565 O VAL A 34 -0.230 -8.816 4.781 1.00 0.00 O ATOM 566 CB VAL A 34 2.816 -9.873 4.838 1.00 0.00 C ATOM 567 CG1 VAL A 34 3.819 -10.920 4.373 1.00 0.00 C ATOM 568 CG2 VAL A 34 3.533 -8.596 5.250 1.00 0.00 C ATOM 0 H VAL A 34 3.072 -8.359 2.611 1.00 0.00 H new ATOM 0 HA VAL A 34 1.256 -10.510 3.521 1.00 0.00 H new ATOM 0 HB VAL A 34 2.285 -10.265 5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.538 -11.114 5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.294 -11.843 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.344 -10.554 3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.255 -8.821 6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.052 -8.176 4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.806 -7.875 5.623 1.00 0.00 H new ATOM 578 N LYS A 35 1.174 -7.259 3.936 1.00 0.00 N ATOM 579 CA LYS A 35 0.343 -6.134 4.327 1.00 0.00 C ATOM 580 C LYS A 35 0.529 -4.994 3.324 1.00 0.00 C ATOM 581 O LYS A 35 1.611 -4.826 2.764 1.00 0.00 O ATOM 582 CB LYS A 35 0.629 -5.734 5.775 1.00 0.00 C ATOM 583 CG LYS A 35 -0.145 -6.617 6.754 1.00 0.00 C ATOM 584 CD LYS A 35 -0.291 -5.934 8.113 1.00 0.00 C ATOM 585 CE LYS A 35 -1.440 -4.922 8.098 1.00 0.00 C ATOM 586 NZ LYS A 35 -1.702 -4.413 9.463 1.00 0.00 N ATOM 0 H LYS A 35 2.036 -7.004 3.454 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.711 -6.412 4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.698 -5.816 5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.355 -4.690 5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.132 -6.839 6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.371 -7.569 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.472 -6.684 8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.640 -5.429 8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.193 -4.092 7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.340 -5.391 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.484 -3.728 9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.959 -5.205 10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.847 -3.947 9.830 1.00 0.00 H new ATOM 600 N ARG A 36 -0.543 -4.239 3.126 1.00 0.00 N ATOM 601 CA ARG A 36 -0.483 -3.060 2.281 1.00 0.00 C ATOM 602 C ARG A 36 -1.196 -1.886 2.958 1.00 0.00 C ATOM 603 O ARG A 36 -1.860 -2.063 3.976 1.00 0.00 O ATOM 604 CB ARG A 36 -1.131 -3.325 0.921 1.00 0.00 C ATOM 605 CG ARG A 36 -0.520 -4.559 0.253 1.00 0.00 C ATOM 606 CD ARG A 36 -1.242 -5.833 0.692 1.00 0.00 C ATOM 607 NE ARG A 36 -2.523 -5.966 -0.038 1.00 0.00 N ATOM 608 CZ ARG A 36 -3.545 -6.751 0.364 1.00 0.00 C ATOM 609 NH1 ARG A 36 -4.643 -6.793 -0.367 1.00 0.00 N ATOM 610 NH2 ARG A 36 -3.446 -7.480 1.495 1.00 0.00 N ATOM 0 H ARG A 36 -1.458 -4.422 3.537 1.00 0.00 H new ATOM 0 HA ARG A 36 0.568 -2.813 2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.204 -3.469 1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.000 -2.456 0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.580 -4.458 -0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.537 -4.629 0.509 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.613 -6.702 0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.427 -5.804 1.766 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.641 -5.431 -0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.709 -6.238 -1.220 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.425 -7.381 -0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.594 -7.441 2.054 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.223 -8.070 1.791 1.00 0.00 H new ATOM 624 N GLY A 37 -1.031 -0.714 2.363 1.00 0.00 N ATOM 625 CA GLY A 37 -1.643 0.489 2.898 1.00 0.00 C ATOM 626 C GLY A 37 -1.262 1.716 2.066 1.00 0.00 C ATOM 627 O GLY A 37 -0.750 1.580 0.956 1.00 0.00 O ATOM 0 H GLY A 37 -0.482 -0.572 1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.727 0.375 2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.327 0.633 3.931 1.00 0.00 H new ATOM 631 N CYS A 38 -1.526 2.883 2.635 1.00 0.00 N ATOM 632 CA CYS A 38 -1.310 4.129 1.921 1.00 0.00 C ATOM 633 C CYS A 38 -0.103 4.836 2.542 1.00 0.00 C ATOM 634 O CYS A 38 0.174 4.670 3.730 1.00 0.00 O ATOM 635 CB CYS A 38 -2.601 4.909 2.174 1.00 0.00 C ATOM 636 SG CYS A 38 -4.094 4.117 1.530 1.00 0.00 S ATOM 0 H CYS A 38 -1.888 2.992 3.583 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.105 4.015 0.856 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.717 5.056 3.248 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.507 5.898 1.725 1.00 0.00 H new ATOM 642 N ILE A 39 0.584 5.608 1.712 1.00 0.00 N ATOM 643 CA ILE A 39 1.614 6.505 2.206 1.00 0.00 C ATOM 644 C ILE A 39 1.876 7.594 1.163 1.00 0.00 C ATOM 645 O ILE A 39 1.518 7.441 -0.003 1.00 0.00 O ATOM 646 CB ILE A 39 2.922 5.758 2.521 1.00 0.00 C ATOM 647 CG1 ILE A 39 3.843 6.632 3.376 1.00 0.00 C ATOM 648 CG2 ILE A 39 3.621 5.342 1.235 1.00 0.00 C ATOM 649 CD1 ILE A 39 4.901 5.854 4.126 1.00 0.00 C ATOM 0 H ILE A 39 0.447 5.630 0.701 1.00 0.00 H new ATOM 0 HA ILE A 39 1.259 6.950 3.135 1.00 0.00 H new ATOM 0 HB ILE A 39 2.679 4.858 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.331 7.365 2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.238 7.188 4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.544 4.815 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.967 4.685 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.853 6.228 0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.514 6.542 4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.421 5.139 4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.531 5.319 3.416 1.00 0.00 H new ATOM 661 N ASP A 40 2.498 8.671 1.622 1.00 0.00 N ATOM 662 CA ASP A 40 2.818 9.782 0.744 1.00 0.00 C ATOM 663 C ASP A 40 4.196 9.553 0.119 1.00 0.00 C ATOM 664 O ASP A 40 4.368 9.705 -1.089 1.00 0.00 O ATOM 665 CB ASP A 40 2.782 11.109 1.506 1.00 0.00 C ATOM 666 CG ASP A 40 3.633 11.131 2.769 1.00 0.00 C ATOM 667 OD1 ASP A 40 4.063 10.083 3.191 1.00 0.00 O ATOM 668 OD2 ASP A 40 3.977 12.201 3.210 1.00 0.00 O ATOM 0 H ASP A 40 2.789 8.797 2.592 1.00 0.00 H new ATOM 0 HA ASP A 40 2.070 9.837 -0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.118 11.905 0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.749 11.333 1.774 1.00 0.00 H new ATOM 674 N VAL A 41 5.142 9.190 0.972 1.00 0.00 N ATOM 675 CA VAL A 41 6.509 8.974 0.525 1.00 0.00 C ATOM 676 C VAL A 41 6.861 7.493 0.678 1.00 0.00 C ATOM 677 O VAL A 41 6.686 6.917 1.751 1.00 0.00 O ATOM 678 CB VAL A 41 7.515 9.832 1.315 1.00 0.00 C ATOM 679 CG1 VAL A 41 8.933 9.575 0.827 1.00 0.00 C ATOM 680 CG2 VAL A 41 7.170 11.308 1.189 1.00 0.00 C ATOM 0 H VAL A 41 4.990 9.040 1.969 1.00 0.00 H new ATOM 0 HA VAL A 41 6.573 9.272 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 41 7.455 9.552 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.631 10.189 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.180 8.522 0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.005 9.829 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.891 11.900 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.202 11.601 0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.169 11.483 1.584 1.00 0.00 H new ATOM 690 N CYS A 42 7.354 6.918 -0.408 1.00 0.00 N ATOM 691 CA CYS A 42 7.584 5.485 -0.460 1.00 0.00 C ATOM 692 C CYS A 42 8.753 5.153 0.468 1.00 0.00 C ATOM 693 O CYS A 42 9.848 5.688 0.310 1.00 0.00 O ATOM 694 CB CYS A 42 7.835 5.004 -1.890 1.00 0.00 C ATOM 695 SG CYS A 42 7.967 3.187 -2.076 1.00 0.00 S ATOM 0 H CYS A 42 7.601 7.420 -1.261 1.00 0.00 H new ATOM 0 HA CYS A 42 6.692 4.958 -0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 42 7.026 5.363 -2.526 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.755 5.461 -2.256 1.00 0.00 H new ATOM 701 N PRO A 43 8.474 4.248 1.444 1.00 0.00 N ATOM 702 CA PRO A 43 9.483 3.856 2.414 1.00 0.00 C ATOM 703 C PRO A 43 10.567 2.996 1.761 1.00 0.00 C ATOM 704 O PRO A 43 10.266 2.120 0.951 1.00 0.00 O ATOM 705 CB PRO A 43 8.694 3.088 3.478 1.00 0.00 C ATOM 706 CG PRO A 43 7.498 2.571 2.755 1.00 0.00 C ATOM 707 CD PRO A 43 7.167 3.624 1.730 1.00 0.00 C ATOM 0 HA PRO A 43 10.018 4.704 2.841 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.285 2.275 3.900 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.408 3.737 4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.709 1.613 2.280 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.664 2.411 3.438 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.726 3.187 0.834 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.451 4.350 2.117 1.00 0.00 H new ATOM 715 N LYS A 44 11.807 3.275 2.138 1.00 0.00 N ATOM 716 CA LYS A 44 12.938 2.547 1.588 1.00 0.00 C ATOM 717 C LYS A 44 12.922 1.113 2.120 1.00 0.00 C ATOM 718 O LYS A 44 12.326 0.838 3.159 1.00 0.00 O ATOM 719 CB LYS A 44 14.255 3.240 1.939 1.00 0.00 C ATOM 720 CG LYS A 44 14.437 4.607 1.293 1.00 0.00 C ATOM 721 CD LYS A 44 15.761 5.239 1.698 1.00 0.00 C ATOM 722 CE LYS A 44 15.972 6.577 1.005 1.00 0.00 C ATOM 723 NZ LYS A 44 17.261 7.209 1.397 1.00 0.00 N ATOM 0 H LYS A 44 12.053 3.995 2.817 1.00 0.00 H new ATOM 0 HA LYS A 44 12.856 2.528 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.316 3.352 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.082 2.596 1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.396 4.507 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.615 5.261 1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.783 5.380 2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.580 4.564 1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.952 6.433 -0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.149 7.248 1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.366 8.118 0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.270 7.370 2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.048 6.581 1.138 1.00 0.00 H new ATOM 737 N ASN A 45 13.589 0.236 1.383 1.00 0.00 N ATOM 738 CA ASN A 45 13.557 -1.182 1.697 1.00 0.00 C ATOM 739 C ASN A 45 14.403 -1.444 2.945 1.00 0.00 C ATOM 740 O ASN A 45 15.454 -0.827 3.126 1.00 0.00 O ATOM 741 CB ASN A 45 14.034 -2.030 0.532 1.00 0.00 C ATOM 742 CG ASN A 45 13.124 -1.982 -0.664 1.00 0.00 C ATOM 743 OD1 ASN A 45 11.922 -1.715 -0.545 1.00 0.00 O ATOM 744 ND2 ASN A 45 13.673 -2.317 -1.804 1.00 0.00 N ATOM 0 H ASN A 45 14.154 0.480 0.570 1.00 0.00 H new ATOM 0 HA ASN A 45 12.524 -1.468 1.892 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.028 -1.696 0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.131 -3.064 0.863 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.104 -2.367 -2.649 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.670 -2.528 -1.847 1.00 0.00 H new ATOM 751 N SER A 46 13.916 -2.356 3.774 1.00 0.00 N ATOM 752 CA SER A 46 14.618 -2.709 4.995 1.00 0.00 C ATOM 753 C SER A 46 15.198 -4.120 4.876 1.00 0.00 C ATOM 754 O SER A 46 14.986 -4.799 3.871 1.00 0.00 O ATOM 755 CB SER A 46 13.686 -2.607 6.186 1.00 0.00 C ATOM 756 OG SER A 46 12.673 -3.574 6.145 1.00 0.00 O ATOM 0 H SER A 46 13.043 -2.861 3.623 1.00 0.00 H new ATOM 0 HA SER A 46 15.440 -2.010 5.147 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.260 -2.722 7.106 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.238 -1.614 6.212 1.00 0.00 H new ATOM 0 HG SER A 46 12.610 -3.944 5.240 1.00 0.00 H new ATOM 762 N LEU A 47 15.916 -4.520 5.914 1.00 0.00 N ATOM 763 CA LEU A 47 16.594 -5.806 5.904 1.00 0.00 C ATOM 764 C LEU A 47 15.570 -6.918 6.136 1.00 0.00 C ATOM 765 O LEU A 47 15.776 -8.055 5.717 1.00 0.00 O ATOM 766 CB LEU A 47 17.697 -5.842 6.971 1.00 0.00 C ATOM 767 CG LEU A 47 18.843 -4.844 6.759 1.00 0.00 C ATOM 768 CD1 LEU A 47 19.802 -4.894 7.941 1.00 0.00 C ATOM 769 CD2 LEU A 47 19.567 -5.169 5.461 1.00 0.00 C ATOM 0 H LEU A 47 16.044 -3.977 6.768 1.00 0.00 H new ATOM 0 HA LEU A 47 17.068 -5.958 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.245 -5.651 7.944 1.00 0.00 H new ATOM 0 HB3 LEU A 47 18.114 -6.848 7.005 1.00 0.00 H new ATOM 0 HG LEU A 47 18.439 -3.834 6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 47 20.612 -4.183 7.782 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.267 -4.636 8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.214 -5.899 8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 47 20.381 -4.460 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 47 19.972 -6.180 5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.868 -5.101 4.627 1.00 0.00 H new ATOM 781 N LEU A 48 14.486 -6.551 6.804 1.00 0.00 N ATOM 782 CA LEU A 48 13.505 -7.532 7.235 1.00 0.00 C ATOM 783 C LEU A 48 12.361 -7.582 6.220 1.00 0.00 C ATOM 784 O LEU A 48 11.966 -8.660 5.779 1.00 0.00 O ATOM 785 CB LEU A 48 12.981 -7.191 8.636 1.00 0.00 C ATOM 786 CG LEU A 48 14.041 -7.196 9.747 1.00 0.00 C ATOM 787 CD1 LEU A 48 13.414 -6.768 11.067 1.00 0.00 C ATOM 788 CD2 LEU A 48 14.649 -8.586 9.864 1.00 0.00 C ATOM 0 H LEU A 48 14.266 -5.588 7.057 1.00 0.00 H new ATOM 0 HA LEU A 48 13.975 -8.514 7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.516 -6.206 8.603 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.199 -7.904 8.898 1.00 0.00 H new ATOM 0 HG LEU A 48 14.832 -6.488 9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.173 -6.774 11.849 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.005 -5.763 10.966 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.615 -7.460 11.331 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.401 -8.589 10.653 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.867 -9.306 10.106 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.115 -8.860 8.917 1.00 0.00 H new ATOM 800 N VAL A 49 11.861 -6.404 5.879 1.00 0.00 N ATOM 801 CA VAL A 49 10.696 -6.305 5.016 1.00 0.00 C ATOM 802 C VAL A 49 11.030 -5.420 3.814 1.00 0.00 C ATOM 803 O VAL A 49 11.830 -4.491 3.926 1.00 0.00 O ATOM 804 CB VAL A 49 9.475 -5.732 5.760 1.00 0.00 C ATOM 805 CG1 VAL A 49 9.033 -6.679 6.866 1.00 0.00 C ATOM 806 CG2 VAL A 49 9.797 -4.360 6.332 1.00 0.00 C ATOM 0 H VAL A 49 12.242 -5.509 6.185 1.00 0.00 H new ATOM 0 HA VAL A 49 10.437 -7.310 4.684 1.00 0.00 H new ATOM 0 HB VAL A 49 8.656 -5.626 5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.169 -6.259 7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.764 -7.643 6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.849 -6.815 7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.924 -3.969 6.854 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.630 -4.443 7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.068 -3.683 5.522 1.00 0.00 H new ATOM 816 N LYS A 50 10.405 -5.741 2.692 1.00 0.00 N ATOM 817 CA LYS A 50 10.622 -4.983 1.472 1.00 0.00 C ATOM 818 C LYS A 50 9.380 -4.143 1.170 1.00 0.00 C ATOM 819 O LYS A 50 8.257 -4.565 1.444 1.00 0.00 O ATOM 820 CB LYS A 50 10.942 -5.916 0.302 1.00 0.00 C ATOM 821 CG LYS A 50 11.143 -5.207 -1.031 1.00 0.00 C ATOM 822 CD LYS A 50 11.397 -6.201 -2.154 1.00 0.00 C ATOM 823 CE LYS A 50 11.538 -5.498 -3.496 1.00 0.00 C ATOM 824 NZ LYS A 50 11.731 -6.462 -4.613 1.00 0.00 N ATOM 0 H LYS A 50 9.748 -6.516 2.602 1.00 0.00 H new ATOM 0 HA LYS A 50 11.477 -4.321 1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.844 -6.480 0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.132 -6.638 0.197 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.262 -4.610 -1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.984 -4.518 -0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.303 -6.768 -1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.576 -6.917 -2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.649 -4.897 -3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.384 -4.812 -3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.823 -5.942 -5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.594 -7.019 -4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.912 -7.101 -4.666 1.00 0.00 H new ATOM 838 N TYR A 51 9.623 -2.966 0.612 1.00 0.00 N ATOM 839 CA TYR A 51 8.542 -2.036 0.324 1.00 0.00 C ATOM 840 C TYR A 51 8.427 -1.779 -1.182 1.00 0.00 C ATOM 841 O TYR A 51 9.406 -1.414 -1.828 1.00 0.00 O ATOM 842 CB TYR A 51 8.760 -0.719 1.073 1.00 0.00 C ATOM 843 CG TYR A 51 8.735 -0.859 2.579 1.00 0.00 C ATOM 844 CD1 TYR A 51 9.903 -1.084 3.293 1.00 0.00 C ATOM 845 CD2 TYR A 51 7.544 -0.762 3.282 1.00 0.00 C ATOM 846 CE1 TYR A 51 9.886 -1.213 4.668 1.00 0.00 C ATOM 847 CE2 TYR A 51 7.515 -0.888 4.657 1.00 0.00 C ATOM 848 CZ TYR A 51 8.689 -1.114 5.347 1.00 0.00 C ATOM 849 OH TYR A 51 8.666 -1.239 6.717 1.00 0.00 O ATOM 0 H TYR A 51 10.552 -2.634 0.351 1.00 0.00 H new ATOM 0 HA TYR A 51 7.608 -2.484 0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.719 -0.296 0.773 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.990 -0.009 0.771 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.842 -1.160 2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.624 -0.585 2.745 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.804 -1.390 5.208 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.579 -0.810 5.190 1.00 0.00 H new ATOM 0 HH TYR A 51 7.745 -1.143 7.039 1.00 0.00 H new ATOM 859 N VAL A 52 7.222 -1.982 -1.691 1.00 0.00 N ATOM 860 CA VAL A 52 6.920 -1.617 -3.067 1.00 0.00 C ATOM 861 C VAL A 52 5.699 -0.698 -3.091 1.00 0.00 C ATOM 862 O VAL A 52 4.663 -1.020 -2.511 1.00 0.00 O ATOM 863 CB VAL A 52 6.655 -2.855 -3.945 1.00 0.00 C ATOM 864 CG1 VAL A 52 6.383 -2.440 -5.383 1.00 0.00 C ATOM 865 CG2 VAL A 52 7.835 -3.814 -3.882 1.00 0.00 C ATOM 0 H VAL A 52 6.443 -2.394 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 52 7.789 -1.101 -3.477 1.00 0.00 H new ATOM 0 HB VAL A 52 5.773 -3.367 -3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.198 -3.327 -5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.509 -1.790 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.247 -1.905 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.631 -4.683 -4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.733 -3.311 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.987 -4.136 -2.852 1.00 0.00 H new ATOM 875 N CYS A 53 5.861 0.431 -3.767 1.00 0.00 N ATOM 876 CA CYS A 53 4.799 1.420 -3.837 1.00 0.00 C ATOM 877 C CYS A 53 4.382 1.577 -5.300 1.00 0.00 C ATOM 878 O CYS A 53 5.123 1.195 -6.205 1.00 0.00 O ATOM 879 CB CYS A 53 5.228 2.753 -3.221 1.00 0.00 C ATOM 880 SG CYS A 53 6.087 2.614 -1.610 1.00 0.00 S ATOM 0 H CYS A 53 6.712 0.682 -4.271 1.00 0.00 H new ATOM 0 HA CYS A 53 3.944 1.081 -3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.884 3.267 -3.923 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.345 3.379 -3.093 1.00 0.00 H new ATOM 886 N CYS A 54 3.198 2.139 -5.488 1.00 0.00 N ATOM 887 CA CYS A 54 2.711 2.429 -6.826 1.00 0.00 C ATOM 888 C CYS A 54 1.610 3.487 -6.717 1.00 0.00 C ATOM 889 O CYS A 54 0.901 3.548 -5.715 1.00 0.00 O ATOM 890 CB CYS A 54 2.221 1.166 -7.537 1.00 0.00 C ATOM 891 SG CYS A 54 1.201 0.050 -6.502 1.00 0.00 S ATOM 0 H CYS A 54 2.561 2.402 -4.736 1.00 0.00 H new ATOM 0 HA CYS A 54 3.527 2.816 -7.437 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.640 1.460 -8.411 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.086 0.612 -7.901 1.00 0.00 H new ATOM 897 N ASN A 55 1.502 4.291 -7.764 1.00 0.00 N ATOM 898 CA ASN A 55 0.861 5.590 -7.647 1.00 0.00 C ATOM 899 C ASN A 55 -0.518 5.536 -8.304 1.00 0.00 C ATOM 900 O ASN A 55 -0.992 6.535 -8.847 1.00 0.00 O ATOM 901 CB ASN A 55 1.707 6.694 -8.256 1.00 0.00 C ATOM 902 CG ASN A 55 1.959 6.521 -9.729 1.00 0.00 C ATOM 903 OD1 ASN A 55 1.663 5.469 -10.309 1.00 0.00 O ATOM 904 ND2 ASN A 55 2.575 7.513 -10.317 1.00 0.00 N ATOM 0 H ASN A 55 1.847 4.068 -8.698 1.00 0.00 H new ATOM 0 HA ASN A 55 0.749 5.825 -6.588 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.212 7.651 -8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.664 6.736 -7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.835 7.441 -11.301 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.796 8.359 -9.792 1.00 0.00 H new ATOM 911 N THR A 56 -1.128 4.361 -8.233 1.00 0.00 N ATOM 912 CA THR A 56 -2.465 4.177 -8.772 1.00 0.00 C ATOM 913 C THR A 56 -3.334 3.396 -7.785 1.00 0.00 C ATOM 914 O THR A 56 -2.839 2.903 -6.771 1.00 0.00 O ATOM 915 CB THR A 56 -2.436 3.438 -10.123 1.00 0.00 C ATOM 916 OG1 THR A 56 -1.791 2.167 -9.962 1.00 0.00 O ATOM 917 CG2 THR A 56 -1.683 4.256 -11.161 1.00 0.00 C ATOM 0 H THR A 56 -0.720 3.527 -7.810 1.00 0.00 H new ATOM 0 HA THR A 56 -2.890 5.168 -8.931 1.00 0.00 H new ATOM 0 HB THR A 56 -3.461 3.292 -10.463 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.775 1.697 -10.822 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.672 3.719 -12.109 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.177 5.218 -11.294 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.659 4.418 -10.824 1.00 0.00 H new ATOM 925 N ASP A 57 -4.614 3.308 -8.113 1.00 0.00 N ATOM 926 CA ASP A 57 -5.586 2.739 -7.194 1.00 0.00 C ATOM 927 C ASP A 57 -5.459 1.215 -7.204 1.00 0.00 C ATOM 928 O ASP A 57 -5.323 0.606 -8.264 1.00 0.00 O ATOM 929 CB ASP A 57 -7.006 3.168 -7.569 1.00 0.00 C ATOM 930 CG ASP A 57 -7.318 4.632 -7.287 1.00 0.00 C ATOM 931 OD1 ASP A 57 -7.147 5.050 -6.166 1.00 0.00 O ATOM 932 OD2 ASP A 57 -7.572 5.354 -8.220 1.00 0.00 O ATOM 0 H ASP A 57 -5.002 3.621 -9.003 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.385 3.108 -6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.162 2.974 -8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.716 2.547 -7.023 1.00 0.00 H new ATOM 938 N ARG A 58 -5.508 0.642 -6.009 1.00 0.00 N ATOM 939 CA ARG A 58 -5.585 -0.803 -5.875 1.00 0.00 C ATOM 940 C ARG A 58 -4.461 -1.471 -6.670 1.00 0.00 C ATOM 941 O ARG A 58 -4.624 -2.585 -7.165 1.00 0.00 O ATOM 942 CB ARG A 58 -6.933 -1.330 -6.370 1.00 0.00 C ATOM 943 CG ARG A 58 -8.085 -0.746 -5.550 1.00 0.00 C ATOM 944 CD ARG A 58 -9.410 -0.862 -6.305 1.00 0.00 C ATOM 945 NE ARG A 58 -9.461 0.140 -7.394 1.00 0.00 N ATOM 946 CZ ARG A 58 -10.365 0.124 -8.397 1.00 0.00 C ATOM 947 NH1 ARG A 58 -10.318 1.068 -9.317 1.00 0.00 N ATOM 948 NH2 ARG A 58 -11.301 -0.847 -8.458 1.00 0.00 N ATOM 0 H ARG A 58 -5.496 1.152 -5.126 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.479 -1.044 -4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.064 -1.074 -7.421 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.949 -2.418 -6.303 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.159 -1.269 -4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.881 0.301 -5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.517 -1.865 -6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.243 -0.709 -5.619 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.770 0.890 -7.386 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.606 1.796 -9.265 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.994 1.070 -10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.328 -1.575 -7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.981 -0.853 -9.218 1.00 0.00 H new ATOM 962 N CYS A 59 -3.346 -0.762 -6.765 1.00 0.00 N ATOM 963 CA CYS A 59 -2.250 -1.203 -7.610 1.00 0.00 C ATOM 964 C CYS A 59 -1.396 -2.194 -6.814 1.00 0.00 C ATOM 965 O CYS A 59 -0.739 -3.057 -7.391 1.00 0.00 O ATOM 966 CB CYS A 59 -1.481 0.087 -7.896 1.00 0.00 C ATOM 967 SG CYS A 59 -0.669 0.810 -6.450 1.00 0.00 S ATOM 0 H CYS A 59 -3.178 0.114 -6.271 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.557 -1.705 -8.528 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.728 -0.115 -8.657 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.170 0.821 -8.315 1.00 0.00 H new ATOM 973 N ASN A 60 -1.437 -2.033 -5.500 1.00 0.00 N ATOM 974 CA ASN A 60 -0.673 -2.900 -4.616 1.00 0.00 C ATOM 975 C ASN A 60 -1.527 -4.108 -4.230 1.00 0.00 C ATOM 976 O ASN A 60 -1.483 -5.142 -4.894 1.00 0.00 O ATOM 977 CB ASN A 60 -0.281 -2.168 -3.332 1.00 0.00 C ATOM 978 CG ASN A 60 -1.520 -1.723 -2.552 1.00 0.00 C ATOM 979 OD1 ASN A 60 -2.648 -2.028 -2.904 1.00 0.00 O ATOM 980 ND2 ASN A 60 -1.249 -0.988 -1.479 1.00 0.00 N ATOM 981 OXT ASN A 60 -2.249 -4.052 -3.273 1.00 0.00 O ATOM 0 H ASN A 60 -1.986 -1.316 -5.025 1.00 0.00 H new ATOM 0 HA ASN A 60 0.229 -3.210 -5.144 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.330 -2.822 -2.709 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.330 -1.299 -3.577 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.009 -0.642 -0.893 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.281 -0.770 -1.242 1.00 0.00 H new