USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 378 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 5 SER OG : rot 180:sc= 0.11 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -155:sc= -0.78! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0448 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 170:sc=-0.00299 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 132:sc= -2.97! USER MOD Single : A 33 ASN : amide:sc= -2.63! C(o=-2.6!,f=-9.4!) USER MOD Single : A 34 LYS NZ :NH3+ -141:sc= -0.356 (180deg=-1.73!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 39 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.66) USER MOD Single : A 44 SER OG : rot 95:sc= 0.463 USER MOD Single : A 45 ASN :FLIP amide:sc= 0.37 F(o=-0.68,f=0.37) USER MOD Single : A 47 THR OG1 : rot 68:sc= 0.547 USER MOD Single : A 49 THR OG1 : rot 120:sc= -4.64! USER MOD Single : A 51 SER OG : rot 180:sc= -0.137 USER MOD Single : A 52 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-3.9) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -1.554 1.752 -1.747 1.00 0.00 N ATOM 2 CA ALA A 3 -1.714 2.565 -2.984 1.00 0.00 C ATOM 3 C ALA A 3 -0.693 3.699 -2.988 1.00 0.00 C ATOM 4 O ALA A 3 -1.042 4.848 -2.820 1.00 0.00 O ATOM 5 CB ALA A 3 -3.118 3.164 -3.015 1.00 0.00 C ATOM 0 HA ALA A 3 -1.560 1.929 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.239 3.760 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.856 2.362 -3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.262 3.798 -2.140 1.00 0.00 H new ATOM 13 N VAL A 4 0.565 3.398 -3.173 1.00 0.00 N ATOM 14 CA VAL A 4 1.585 4.485 -3.180 1.00 0.00 C ATOM 15 C VAL A 4 2.784 4.092 -4.042 1.00 0.00 C ATOM 16 O VAL A 4 3.239 2.969 -4.014 1.00 0.00 O ATOM 17 CB VAL A 4 2.038 4.743 -1.747 1.00 0.00 C ATOM 18 CG1 VAL A 4 3.165 5.779 -1.734 1.00 0.00 C ATOM 19 CG2 VAL A 4 0.844 5.266 -0.953 1.00 0.00 C ATOM 0 H VAL A 4 0.927 2.456 -3.318 1.00 0.00 H new ATOM 0 HA VAL A 4 1.145 5.389 -3.601 1.00 0.00 H new ATOM 0 HB VAL A 4 2.410 3.821 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.483 5.958 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.008 5.406 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.807 6.711 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.147 5.457 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.485 6.191 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.046 4.523 -0.964 1.00 0.00 H new ATOM 29 N SER A 5 3.311 5.016 -4.800 1.00 0.00 N ATOM 30 CA SER A 5 4.494 4.694 -5.651 1.00 0.00 C ATOM 31 C SER A 5 5.766 4.898 -4.828 1.00 0.00 C ATOM 32 O SER A 5 6.667 5.610 -5.225 1.00 0.00 O ATOM 33 CB SER A 5 4.523 5.619 -6.868 1.00 0.00 C ATOM 34 OG SER A 5 3.736 6.771 -6.603 1.00 0.00 O ATOM 0 H SER A 5 2.975 5.977 -4.867 1.00 0.00 H new ATOM 0 HA SER A 5 4.431 3.660 -5.990 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.549 5.910 -7.093 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.140 5.097 -7.745 1.00 0.00 H new ATOM 0 HG SER A 5 3.755 7.366 -7.381 1.00 0.00 H new ATOM 40 N VAL A 6 5.843 4.281 -3.683 1.00 0.00 N ATOM 41 CA VAL A 6 7.051 4.439 -2.829 1.00 0.00 C ATOM 42 C VAL A 6 7.916 3.178 -2.948 1.00 0.00 C ATOM 43 O VAL A 6 7.535 2.206 -3.570 1.00 0.00 O ATOM 44 CB VAL A 6 6.603 4.697 -1.373 1.00 0.00 C ATOM 45 CG1 VAL A 6 7.199 3.662 -0.407 1.00 0.00 C ATOM 46 CG2 VAL A 6 7.062 6.094 -0.952 1.00 0.00 C ATOM 0 H VAL A 6 5.119 3.672 -3.301 1.00 0.00 H new ATOM 0 HA VAL A 6 7.651 5.289 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 6 5.517 4.616 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.862 3.875 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.871 2.663 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.287 3.712 -0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.750 6.285 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.148 6.156 -1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.615 6.838 -1.611 1.00 0.00 H new ATOM 56 N ASP A 7 9.085 3.198 -2.370 1.00 0.00 N ATOM 57 CA ASP A 7 9.984 2.013 -2.460 1.00 0.00 C ATOM 58 C ASP A 7 9.416 0.846 -1.645 1.00 0.00 C ATOM 59 O ASP A 7 9.763 0.649 -0.499 1.00 0.00 O ATOM 60 CB ASP A 7 11.367 2.384 -1.917 1.00 0.00 C ATOM 61 CG ASP A 7 12.414 1.432 -2.499 1.00 0.00 C ATOM 62 OD1 ASP A 7 12.279 1.069 -3.656 1.00 0.00 O ATOM 63 OD2 ASP A 7 13.334 1.084 -1.777 1.00 0.00 O ATOM 0 H ASP A 7 9.457 3.985 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 7 10.062 1.709 -3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 7 11.609 3.414 -2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.370 2.324 -0.829 1.00 0.00 H new ATOM 68 N CYS A 8 8.558 0.060 -2.239 1.00 0.00 N ATOM 69 CA CYS A 8 7.984 -1.109 -1.510 1.00 0.00 C ATOM 70 C CYS A 8 8.891 -2.325 -1.722 1.00 0.00 C ATOM 71 O CYS A 8 8.435 -3.450 -1.769 1.00 0.00 O ATOM 72 CB CYS A 8 6.591 -1.425 -2.064 1.00 0.00 C ATOM 73 SG CYS A 8 5.342 -0.441 -1.200 1.00 0.00 S ATOM 0 H CYS A 8 8.230 0.177 -3.198 1.00 0.00 H new ATOM 0 HA CYS A 8 7.911 -0.876 -0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.559 -1.211 -3.132 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.376 -2.487 -1.945 1.00 0.00 H new ATOM 78 N SER A 9 10.172 -2.108 -1.866 1.00 0.00 N ATOM 79 CA SER A 9 11.104 -3.250 -2.091 1.00 0.00 C ATOM 80 C SER A 9 11.586 -3.805 -0.748 1.00 0.00 C ATOM 81 O SER A 9 12.245 -4.823 -0.691 1.00 0.00 O ATOM 82 CB SER A 9 12.306 -2.771 -2.905 1.00 0.00 C ATOM 83 OG SER A 9 11.887 -2.467 -4.228 1.00 0.00 O ATOM 0 H SER A 9 10.612 -1.188 -1.837 1.00 0.00 H new ATOM 0 HA SER A 9 10.581 -4.037 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.747 -1.890 -2.439 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.077 -3.541 -2.924 1.00 0.00 H new ATOM 0 HG SER A 9 12.656 -2.158 -4.752 1.00 0.00 H new ATOM 89 N GLU A 10 11.261 -3.150 0.333 1.00 0.00 N ATOM 90 CA GLU A 10 11.704 -3.653 1.665 1.00 0.00 C ATOM 91 C GLU A 10 10.631 -4.586 2.232 1.00 0.00 C ATOM 92 O GLU A 10 10.389 -4.627 3.422 1.00 0.00 O ATOM 93 CB GLU A 10 11.911 -2.470 2.612 1.00 0.00 C ATOM 94 CG GLU A 10 12.698 -1.375 1.890 1.00 0.00 C ATOM 95 CD GLU A 10 13.788 -0.831 2.814 1.00 0.00 C ATOM 96 OE1 GLU A 10 14.311 -1.603 3.601 1.00 0.00 O ATOM 97 OE2 GLU A 10 14.085 0.348 2.718 1.00 0.00 O ATOM 0 H GLU A 10 10.710 -2.292 0.352 1.00 0.00 H new ATOM 0 HA GLU A 10 12.642 -4.198 1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.948 -2.083 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.449 -2.793 3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.145 -1.775 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.028 -0.570 1.589 1.00 0.00 H new ATOM 104 N TYR A 11 9.982 -5.327 1.377 1.00 0.00 N ATOM 105 CA TYR A 11 8.914 -6.258 1.839 1.00 0.00 C ATOM 106 C TYR A 11 9.204 -7.658 1.288 1.00 0.00 C ATOM 107 O TYR A 11 10.060 -7.815 0.440 1.00 0.00 O ATOM 108 CB TYR A 11 7.571 -5.740 1.311 1.00 0.00 C ATOM 109 CG TYR A 11 7.090 -4.636 2.219 1.00 0.00 C ATOM 110 CD1 TYR A 11 7.762 -3.408 2.226 1.00 0.00 C ATOM 111 CD2 TYR A 11 5.983 -4.836 3.057 1.00 0.00 C ATOM 112 CE1 TYR A 11 7.332 -2.377 3.069 1.00 0.00 C ATOM 113 CE2 TYR A 11 5.555 -3.800 3.903 1.00 0.00 C ATOM 114 CZ TYR A 11 6.230 -2.573 3.906 1.00 0.00 C ATOM 115 OH TYR A 11 5.813 -1.557 4.741 1.00 0.00 O ATOM 0 H TYR A 11 10.147 -5.327 0.370 1.00 0.00 H new ATOM 0 HA TYR A 11 8.882 -6.310 2.927 1.00 0.00 H new ATOM 0 HB2 TYR A 11 7.683 -5.370 0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.840 -6.548 1.278 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.614 -3.256 1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.462 -5.782 3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.852 -1.430 3.073 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.705 -3.950 4.552 1.00 0.00 H new ATOM 0 HH TYR A 11 5.339 -1.939 5.509 1.00 0.00 H new ATOM 125 N PRO A 12 8.487 -8.641 1.779 1.00 0.00 N ATOM 126 CA PRO A 12 7.442 -8.469 2.811 1.00 0.00 C ATOM 127 C PRO A 12 8.050 -8.400 4.214 1.00 0.00 C ATOM 128 O PRO A 12 9.195 -8.747 4.430 1.00 0.00 O ATOM 129 CB PRO A 12 6.596 -9.737 2.670 1.00 0.00 C ATOM 130 CG PRO A 12 7.506 -10.799 2.006 1.00 0.00 C ATOM 131 CD PRO A 12 8.656 -10.035 1.326 1.00 0.00 C ATOM 0 HA PRO A 12 6.877 -7.546 2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.245 -10.080 3.643 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.712 -9.548 2.061 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.892 -11.497 2.749 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.947 -11.386 1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.627 -10.434 1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.596 -10.110 0.240 1.00 0.00 H new ATOM 139 N LYS A 13 7.276 -7.966 5.172 1.00 0.00 N ATOM 140 CA LYS A 13 7.787 -7.884 6.568 1.00 0.00 C ATOM 141 C LYS A 13 6.898 -8.739 7.480 1.00 0.00 C ATOM 142 O LYS A 13 5.730 -8.931 7.200 1.00 0.00 O ATOM 143 CB LYS A 13 7.760 -6.429 7.040 1.00 0.00 C ATOM 144 CG LYS A 13 8.822 -5.632 6.280 1.00 0.00 C ATOM 145 CD LYS A 13 8.959 -4.243 6.903 1.00 0.00 C ATOM 146 CE LYS A 13 10.425 -3.987 7.252 1.00 0.00 C ATOM 147 NZ LYS A 13 10.836 -2.655 6.728 1.00 0.00 N ATOM 0 H LYS A 13 6.310 -7.664 5.046 1.00 0.00 H new ATOM 0 HA LYS A 13 8.812 -8.253 6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.774 -5.997 6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.949 -6.379 8.112 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.778 -6.154 6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.545 -5.545 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.601 -3.483 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.342 -4.171 7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.564 -4.023 8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.053 -4.768 6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.833 -2.481 6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.718 -2.637 5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.244 -1.915 7.157 1.00 0.00 H new ATOM 161 N PRO A 14 7.482 -9.234 8.540 1.00 0.00 N ATOM 162 CA PRO A 14 6.775 -10.086 9.516 1.00 0.00 C ATOM 163 C PRO A 14 5.890 -9.242 10.438 1.00 0.00 C ATOM 164 O PRO A 14 5.301 -9.744 11.376 1.00 0.00 O ATOM 165 CB PRO A 14 7.911 -10.747 10.302 1.00 0.00 C ATOM 166 CG PRO A 14 9.150 -9.837 10.131 1.00 0.00 C ATOM 167 CD PRO A 14 8.902 -8.989 8.869 1.00 0.00 C ATOM 0 HA PRO A 14 6.108 -10.808 9.045 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.647 -10.849 11.355 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.111 -11.750 9.925 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.287 -9.200 11.005 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.057 -10.433 10.026 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.091 -7.932 9.056 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.558 -9.290 8.052 1.00 0.00 H new ATOM 175 N ALA A 15 5.787 -7.966 10.184 1.00 0.00 N ATOM 176 CA ALA A 15 4.936 -7.105 11.054 1.00 0.00 C ATOM 177 C ALA A 15 4.738 -5.740 10.392 1.00 0.00 C ATOM 178 O ALA A 15 5.687 -5.035 10.107 1.00 0.00 O ATOM 179 CB ALA A 15 5.620 -6.917 12.409 1.00 0.00 C ATOM 0 H ALA A 15 6.253 -7.484 9.415 1.00 0.00 H new ATOM 0 HA ALA A 15 3.966 -7.582 11.196 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.999 -6.288 13.046 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.760 -7.888 12.884 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.590 -6.441 12.264 1.00 0.00 H new ATOM 185 N CYS A 16 3.514 -5.360 10.149 1.00 0.00 N ATOM 186 CA CYS A 16 3.261 -4.038 9.510 1.00 0.00 C ATOM 187 C CYS A 16 3.208 -2.959 10.591 1.00 0.00 C ATOM 188 O CYS A 16 3.413 -3.224 11.760 1.00 0.00 O ATOM 189 CB CYS A 16 1.920 -4.069 8.768 1.00 0.00 C ATOM 190 SG CYS A 16 2.192 -4.227 6.982 1.00 0.00 S ATOM 0 H CYS A 16 2.680 -5.906 10.365 1.00 0.00 H new ATOM 0 HA CYS A 16 4.062 -3.820 8.804 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.318 -4.904 9.126 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.359 -3.158 8.978 1.00 0.00 H new ATOM 195 N THR A 17 2.926 -1.745 10.211 1.00 0.00 N ATOM 196 CA THR A 17 2.851 -0.649 11.216 1.00 0.00 C ATOM 197 C THR A 17 1.388 -0.423 11.601 1.00 0.00 C ATOM 198 O THR A 17 0.481 -0.817 10.894 1.00 0.00 O ATOM 199 CB THR A 17 3.426 0.634 10.613 1.00 0.00 C ATOM 200 OG1 THR A 17 3.650 0.444 9.223 1.00 0.00 O ATOM 201 CG2 THR A 17 4.747 0.978 11.302 1.00 0.00 C ATOM 0 H THR A 17 2.744 -1.464 9.248 1.00 0.00 H new ATOM 0 HA THR A 17 3.426 -0.920 12.102 1.00 0.00 H new ATOM 0 HB THR A 17 2.720 1.451 10.759 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.017 1.266 8.835 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.155 1.892 10.871 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.574 1.125 12.368 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.455 0.162 11.159 1.00 0.00 H new ATOM 209 N MET A 18 1.149 0.214 12.714 1.00 0.00 N ATOM 210 CA MET A 18 -0.257 0.470 13.136 1.00 0.00 C ATOM 211 C MET A 18 -0.747 1.772 12.498 1.00 0.00 C ATOM 212 O MET A 18 -1.718 2.359 12.927 1.00 0.00 O ATOM 213 CB MET A 18 -0.316 0.596 14.661 1.00 0.00 C ATOM 214 CG MET A 18 0.841 1.469 15.146 1.00 0.00 C ATOM 215 SD MET A 18 0.398 2.241 16.721 1.00 0.00 S ATOM 216 CE MET A 18 2.034 2.908 17.114 1.00 0.00 C ATOM 0 H MET A 18 1.865 0.568 13.349 1.00 0.00 H new ATOM 0 HA MET A 18 -0.892 -0.356 12.815 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.267 1.034 14.964 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.258 -0.391 15.120 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.741 0.865 15.265 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.068 2.235 14.405 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.992 3.436 18.066 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.753 2.092 17.183 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.344 3.598 16.329 1.00 0.00 H new ATOM 226 N GLU A 19 -0.076 2.229 11.474 1.00 0.00 N ATOM 227 CA GLU A 19 -0.495 3.492 10.807 1.00 0.00 C ATOM 228 C GLU A 19 -1.960 3.390 10.381 1.00 0.00 C ATOM 229 O GLU A 19 -2.577 2.350 10.483 1.00 0.00 O ATOM 230 CB GLU A 19 0.378 3.733 9.574 1.00 0.00 C ATOM 231 CG GLU A 19 1.373 4.856 9.870 1.00 0.00 C ATOM 232 CD GLU A 19 0.609 6.153 10.143 1.00 0.00 C ATOM 233 OE1 GLU A 19 0.085 6.719 9.198 1.00 0.00 O ATOM 234 OE2 GLU A 19 0.559 6.557 11.293 1.00 0.00 O ATOM 0 H GLU A 19 0.746 1.779 11.071 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.379 4.322 11.504 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.911 2.820 9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.245 3.999 8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.987 4.595 10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.049 4.990 9.025 1.00 0.00 H new ATOM 241 N TYR A 20 -2.518 4.468 9.906 1.00 0.00 N ATOM 242 CA TYR A 20 -3.943 4.445 9.471 1.00 0.00 C ATOM 243 C TYR A 20 -4.092 5.280 8.204 1.00 0.00 C ATOM 244 O TYR A 20 -5.072 5.971 8.007 1.00 0.00 O ATOM 245 CB TYR A 20 -4.810 5.041 10.573 1.00 0.00 C ATOM 246 CG TYR A 20 -6.275 4.953 10.198 1.00 0.00 C ATOM 247 CD1 TYR A 20 -6.723 3.958 9.318 1.00 0.00 C ATOM 248 CD2 TYR A 20 -7.185 5.870 10.737 1.00 0.00 C ATOM 249 CE1 TYR A 20 -8.080 3.883 8.979 1.00 0.00 C ATOM 250 CE2 TYR A 20 -8.542 5.795 10.397 1.00 0.00 C ATOM 251 CZ TYR A 20 -8.990 4.801 9.518 1.00 0.00 C ATOM 252 OH TYR A 20 -10.326 4.728 9.182 1.00 0.00 O ATOM 0 H TYR A 20 -2.048 5.367 9.800 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.254 3.419 9.273 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.635 4.511 11.509 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.533 6.082 10.740 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.022 3.250 8.902 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.841 6.636 11.416 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.425 3.116 8.301 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.243 6.504 10.813 1.00 0.00 H new ATOM 0 HH TYR A 20 -10.819 5.438 9.644 1.00 0.00 H new ATOM 262 N ARG A 21 -3.117 5.221 7.350 1.00 0.00 N ATOM 263 CA ARG A 21 -3.176 6.011 6.087 1.00 0.00 C ATOM 264 C ARG A 21 -4.068 5.288 5.070 1.00 0.00 C ATOM 265 O ARG A 21 -3.799 4.159 4.713 1.00 0.00 O ATOM 266 CB ARG A 21 -1.766 6.145 5.506 1.00 0.00 C ATOM 267 CG ARG A 21 -0.815 6.672 6.580 1.00 0.00 C ATOM 268 CD ARG A 21 0.563 6.033 6.400 1.00 0.00 C ATOM 269 NE ARG A 21 1.341 6.803 5.391 1.00 0.00 N ATOM 270 CZ ARG A 21 2.434 7.425 5.743 1.00 0.00 C ATOM 271 NH1 ARG A 21 3.464 6.745 6.166 1.00 0.00 N ATOM 272 NH2 ARG A 21 2.495 8.727 5.670 1.00 0.00 N ATOM 0 H ARG A 21 -2.275 4.658 7.469 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.586 6.999 6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.419 5.178 5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.777 6.822 4.652 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.736 7.757 6.510 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.207 6.444 7.571 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.095 6.018 7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.456 4.997 6.079 1.00 0.00 H new ATOM 0 HE ARG A 21 1.020 6.845 4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.415 5.728 6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.318 7.231 6.441 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.689 9.257 5.338 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.348 9.214 5.945 1.00 0.00 H new ATOM 286 N PRO A 22 -5.100 5.963 4.625 1.00 0.00 N ATOM 287 CA PRO A 22 -6.043 5.406 3.639 1.00 0.00 C ATOM 288 C PRO A 22 -5.433 5.484 2.236 1.00 0.00 C ATOM 289 O PRO A 22 -5.171 6.554 1.724 1.00 0.00 O ATOM 290 CB PRO A 22 -7.265 6.320 3.753 1.00 0.00 C ATOM 291 CG PRO A 22 -6.760 7.651 4.355 1.00 0.00 C ATOM 292 CD PRO A 22 -5.426 7.338 5.058 1.00 0.00 C ATOM 0 HA PRO A 22 -6.288 4.358 3.815 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -7.720 6.484 2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.028 5.871 4.389 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.621 8.400 3.576 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.484 8.056 5.061 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.647 8.042 4.766 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.523 7.402 6.142 1.00 0.00 H new ATOM 300 N LEU A 23 -5.200 4.364 1.611 1.00 0.00 N ATOM 301 CA LEU A 23 -4.601 4.396 0.250 1.00 0.00 C ATOM 302 C LEU A 23 -5.466 3.592 -0.724 1.00 0.00 C ATOM 303 O LEU A 23 -5.770 2.439 -0.493 1.00 0.00 O ATOM 304 CB LEU A 23 -3.198 3.790 0.291 1.00 0.00 C ATOM 305 CG LEU A 23 -2.353 4.500 1.348 1.00 0.00 C ATOM 306 CD1 LEU A 23 -0.983 3.827 1.439 1.00 0.00 C ATOM 307 CD2 LEU A 23 -2.170 5.970 0.959 1.00 0.00 C ATOM 0 H LEU A 23 -5.397 3.434 1.981 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.546 5.432 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.259 2.725 0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.725 3.881 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.857 4.440 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.379 4.332 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.109 2.781 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.483 3.888 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.567 6.474 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.668 6.031 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.145 6.453 0.892 1.00 0.00 H new ATOM 319 N CYS A 24 -5.850 4.190 -1.819 1.00 0.00 N ATOM 320 CA CYS A 24 -6.680 3.460 -2.817 1.00 0.00 C ATOM 321 C CYS A 24 -5.762 2.860 -3.882 1.00 0.00 C ATOM 322 O CYS A 24 -5.438 3.505 -4.856 1.00 0.00 O ATOM 323 CB CYS A 24 -7.653 4.433 -3.484 1.00 0.00 C ATOM 324 SG CYS A 24 -8.779 3.515 -4.562 1.00 0.00 S ATOM 0 H CYS A 24 -5.624 5.154 -2.065 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.242 2.670 -2.319 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.219 4.975 -2.726 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.103 5.175 -4.062 1.00 0.00 H new ATOM 329 N GLY A 25 -5.331 1.640 -3.698 1.00 0.00 N ATOM 330 CA GLY A 25 -4.421 1.004 -4.695 1.00 0.00 C ATOM 331 C GLY A 25 -5.020 1.126 -6.096 1.00 0.00 C ATOM 332 O GLY A 25 -6.223 1.144 -6.262 1.00 0.00 O ATOM 0 H GLY A 25 -5.571 1.055 -2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.442 1.483 -4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.270 -0.046 -4.445 1.00 0.00 H new ATOM 336 N SER A 26 -4.187 1.201 -7.107 1.00 0.00 N ATOM 337 CA SER A 26 -4.713 1.317 -8.502 1.00 0.00 C ATOM 338 C SER A 26 -5.741 0.213 -8.778 1.00 0.00 C ATOM 339 O SER A 26 -6.506 0.291 -9.718 1.00 0.00 O ATOM 340 CB SER A 26 -3.559 1.180 -9.492 1.00 0.00 C ATOM 341 OG SER A 26 -4.068 0.744 -10.747 1.00 0.00 O ATOM 0 H SER A 26 -3.170 1.187 -7.026 1.00 0.00 H new ATOM 0 HA SER A 26 -5.192 2.289 -8.616 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.047 2.135 -9.606 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.825 0.467 -9.117 1.00 0.00 H new ATOM 0 HG SER A 26 -3.364 0.808 -11.426 1.00 0.00 H new ATOM 347 N ASP A 27 -5.764 -0.817 -7.977 1.00 0.00 N ATOM 348 CA ASP A 27 -6.743 -1.918 -8.208 1.00 0.00 C ATOM 349 C ASP A 27 -8.082 -1.569 -7.550 1.00 0.00 C ATOM 350 O ASP A 27 -8.888 -2.432 -7.264 1.00 0.00 O ATOM 351 CB ASP A 27 -6.200 -3.212 -7.600 1.00 0.00 C ATOM 352 CG ASP A 27 -6.193 -3.098 -6.075 1.00 0.00 C ATOM 353 OD1 ASP A 27 -5.852 -2.036 -5.582 1.00 0.00 O ATOM 354 OD2 ASP A 27 -6.527 -4.077 -5.427 1.00 0.00 O ATOM 0 H ASP A 27 -5.148 -0.944 -7.174 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.893 -2.049 -9.280 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.815 -4.057 -7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.191 -3.402 -7.965 1.00 0.00 H new ATOM 359 N ASN A 28 -8.328 -0.310 -7.310 1.00 0.00 N ATOM 360 CA ASN A 28 -9.614 0.093 -6.676 1.00 0.00 C ATOM 361 C ASN A 28 -9.746 -0.574 -5.305 1.00 0.00 C ATOM 362 O ASN A 28 -10.819 -0.976 -4.904 1.00 0.00 O ATOM 363 CB ASN A 28 -10.780 -0.345 -7.568 1.00 0.00 C ATOM 364 CG ASN A 28 -11.750 0.823 -7.756 1.00 0.00 C ATOM 365 OD1 ASN A 28 -12.549 1.108 -6.885 1.00 0.00 O ATOM 366 ND2 ASN A 28 -11.715 1.515 -8.862 1.00 0.00 N ATOM 0 H ASN A 28 -7.692 0.458 -7.526 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.632 1.176 -6.554 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.405 -0.679 -8.536 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.298 -1.192 -7.117 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.358 2.295 -8.996 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.045 1.276 -9.592 1.00 0.00 H new ATOM 373 N LYS A 29 -8.666 -0.694 -4.579 1.00 0.00 N ATOM 374 CA LYS A 29 -8.751 -1.339 -3.235 1.00 0.00 C ATOM 375 C LYS A 29 -8.322 -0.344 -2.153 1.00 0.00 C ATOM 376 O LYS A 29 -7.540 0.553 -2.395 1.00 0.00 O ATOM 377 CB LYS A 29 -7.837 -2.566 -3.194 1.00 0.00 C ATOM 378 CG LYS A 29 -8.644 -3.814 -3.562 1.00 0.00 C ATOM 379 CD LYS A 29 -7.993 -5.046 -2.934 1.00 0.00 C ATOM 380 CE LYS A 29 -7.991 -6.197 -3.945 1.00 0.00 C ATOM 381 NZ LYS A 29 -9.282 -6.936 -3.863 1.00 0.00 N ATOM 0 H LYS A 29 -7.737 -0.377 -4.855 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.780 -1.648 -3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.007 -2.438 -3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.406 -2.679 -2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.671 -3.713 -3.210 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.688 -3.925 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.972 -4.815 -2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.536 -5.339 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.846 -5.809 -4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.160 -6.872 -3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.279 -7.717 -4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.402 -7.319 -2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.067 -6.289 -4.078 1.00 0.00 H new ATOM 395 N THR A 30 -8.831 -0.498 -0.961 1.00 0.00 N ATOM 396 CA THR A 30 -8.458 0.437 0.140 1.00 0.00 C ATOM 397 C THR A 30 -7.366 -0.200 1.005 1.00 0.00 C ATOM 398 O THR A 30 -7.360 -1.395 1.231 1.00 0.00 O ATOM 399 CB THR A 30 -9.692 0.721 1.002 1.00 0.00 C ATOM 400 OG1 THR A 30 -10.716 1.274 0.188 1.00 0.00 O ATOM 401 CG2 THR A 30 -9.329 1.708 2.111 1.00 0.00 C ATOM 0 H THR A 30 -9.490 -1.232 -0.701 1.00 0.00 H new ATOM 0 HA THR A 30 -8.085 1.370 -0.284 1.00 0.00 H new ATOM 0 HB THR A 30 -10.044 -0.208 1.450 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.508 1.455 0.736 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.209 1.908 2.722 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.543 1.282 2.735 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.976 2.639 1.668 1.00 0.00 H new ATOM 409 N TYR A 31 -6.435 0.583 1.483 1.00 0.00 N ATOM 410 CA TYR A 31 -5.345 0.022 2.317 1.00 0.00 C ATOM 411 C TYR A 31 -5.238 0.798 3.630 1.00 0.00 C ATOM 412 O TYR A 31 -5.823 1.851 3.792 1.00 0.00 O ATOM 413 CB TYR A 31 -4.037 0.132 1.541 1.00 0.00 C ATOM 414 CG TYR A 31 -3.948 -1.017 0.570 1.00 0.00 C ATOM 415 CD1 TYR A 31 -4.120 -2.330 1.025 1.00 0.00 C ATOM 416 CD2 TYR A 31 -3.707 -0.772 -0.786 1.00 0.00 C ATOM 417 CE1 TYR A 31 -4.046 -3.398 0.123 1.00 0.00 C ATOM 418 CE2 TYR A 31 -3.634 -1.838 -1.688 1.00 0.00 C ATOM 419 CZ TYR A 31 -3.803 -3.152 -1.234 1.00 0.00 C ATOM 420 OH TYR A 31 -3.733 -4.204 -2.124 1.00 0.00 O ATOM 0 H TYR A 31 -6.387 1.590 1.328 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.555 -1.022 2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.994 1.081 1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.189 0.113 2.226 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.310 -2.519 2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.577 0.241 -1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.176 -4.411 0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.447 -1.648 -2.735 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.287 -4.007 -2.908 1.00 0.00 H new ATOM 430 N GLY A 32 -4.495 0.281 4.569 1.00 0.00 N ATOM 431 CA GLY A 32 -4.348 0.980 5.875 1.00 0.00 C ATOM 432 C GLY A 32 -3.068 1.812 5.864 1.00 0.00 C ATOM 433 O GLY A 32 -2.880 2.691 6.682 1.00 0.00 O ATOM 0 H GLY A 32 -3.983 -0.597 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.210 1.622 6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.316 0.254 6.687 1.00 0.00 H new ATOM 437 N ASN A 33 -2.182 1.547 4.942 1.00 0.00 N ATOM 438 CA ASN A 33 -0.919 2.332 4.885 1.00 0.00 C ATOM 439 C ASN A 33 0.024 1.724 3.844 1.00 0.00 C ATOM 440 O ASN A 33 -0.233 0.673 3.290 1.00 0.00 O ATOM 441 CB ASN A 33 -0.244 2.321 6.259 1.00 0.00 C ATOM 442 CG ASN A 33 -0.334 0.921 6.867 1.00 0.00 C ATOM 443 OD1 ASN A 33 0.266 -0.010 6.368 1.00 0.00 O ATOM 444 ND2 ASN A 33 -1.065 0.730 7.931 1.00 0.00 N ATOM 0 H ASN A 33 -2.279 0.824 4.229 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.149 3.360 4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.800 2.620 6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.725 3.045 6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.132 -0.201 8.343 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.569 1.511 8.350 1.00 0.00 H new ATOM 451 N LYS A 34 1.106 2.394 3.566 1.00 0.00 N ATOM 452 CA LYS A 34 2.072 1.890 2.553 1.00 0.00 C ATOM 453 C LYS A 34 2.576 0.497 2.942 1.00 0.00 C ATOM 454 O LYS A 34 3.165 -0.194 2.141 1.00 0.00 O ATOM 455 CB LYS A 34 3.249 2.876 2.431 1.00 0.00 C ATOM 456 CG LYS A 34 4.402 2.478 3.365 1.00 0.00 C ATOM 457 CD LYS A 34 3.948 2.583 4.822 1.00 0.00 C ATOM 458 CE LYS A 34 4.725 3.703 5.517 1.00 0.00 C ATOM 459 NZ LYS A 34 6.187 3.491 5.321 1.00 0.00 N ATOM 0 H LYS A 34 1.365 3.279 4.002 1.00 0.00 H new ATOM 0 HA LYS A 34 1.571 1.812 1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.603 2.899 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.911 3.883 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.724 1.460 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.261 3.127 3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.878 2.785 4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.115 1.636 5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.430 4.671 5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.489 3.718 6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.694 3.736 6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.365 2.494 5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.524 4.095 4.544 1.00 0.00 H new ATOM 473 N CYS A 35 2.354 0.070 4.156 1.00 0.00 N ATOM 474 CA CYS A 35 2.826 -1.283 4.550 1.00 0.00 C ATOM 475 C CYS A 35 1.874 -2.313 3.951 1.00 0.00 C ATOM 476 O CYS A 35 2.291 -3.303 3.381 1.00 0.00 O ATOM 477 CB CYS A 35 2.841 -1.398 6.072 1.00 0.00 C ATOM 478 SG CYS A 35 3.680 -2.926 6.563 1.00 0.00 S ATOM 0 H CYS A 35 1.871 0.596 4.884 1.00 0.00 H new ATOM 0 HA CYS A 35 3.837 -1.456 4.182 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.350 -0.537 6.506 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.821 -1.393 6.456 1.00 0.00 H new ATOM 483 N ASN A 36 0.596 -2.071 4.044 1.00 0.00 N ATOM 484 CA ASN A 36 -0.385 -3.013 3.449 1.00 0.00 C ATOM 485 C ASN A 36 -0.246 -2.940 1.927 1.00 0.00 C ATOM 486 O ASN A 36 -0.710 -3.796 1.201 1.00 0.00 O ATOM 487 CB ASN A 36 -1.795 -2.591 3.856 1.00 0.00 C ATOM 488 CG ASN A 36 -2.600 -3.825 4.262 1.00 0.00 C ATOM 489 OD1 ASN A 36 -3.223 -4.461 3.436 1.00 0.00 O ATOM 490 ND2 ASN A 36 -2.612 -4.194 5.514 1.00 0.00 N ATOM 0 H ASN A 36 0.190 -1.258 4.508 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.203 -4.030 3.796 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.749 -1.885 4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.286 -2.080 3.028 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.144 -5.016 5.798 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.089 -3.660 6.208 1.00 0.00 H new ATOM 497 N PHE A 37 0.396 -1.907 1.449 1.00 0.00 N ATOM 498 CA PHE A 37 0.582 -1.739 -0.018 1.00 0.00 C ATOM 499 C PHE A 37 1.792 -2.551 -0.489 1.00 0.00 C ATOM 500 O PHE A 37 1.730 -3.269 -1.467 1.00 0.00 O ATOM 501 CB PHE A 37 0.832 -0.261 -0.316 1.00 0.00 C ATOM 502 CG PHE A 37 0.976 -0.074 -1.806 1.00 0.00 C ATOM 503 CD1 PHE A 37 -0.104 -0.354 -2.651 1.00 0.00 C ATOM 504 CD2 PHE A 37 2.186 0.381 -2.340 1.00 0.00 C ATOM 505 CE1 PHE A 37 0.025 -0.177 -4.031 1.00 0.00 C ATOM 506 CE2 PHE A 37 2.315 0.558 -3.722 1.00 0.00 C ATOM 507 CZ PHE A 37 1.236 0.281 -4.567 1.00 0.00 C ATOM 0 H PHE A 37 0.803 -1.166 2.020 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.310 -2.088 -0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.007 0.343 0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.734 0.078 0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.037 -0.707 -2.237 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.019 0.595 -1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.808 -0.393 -4.684 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.249 0.909 -4.136 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.336 0.420 -5.633 1.00 0.00 H new ATOM 517 N CYS A 38 2.896 -2.440 0.201 1.00 0.00 N ATOM 518 CA CYS A 38 4.110 -3.198 -0.204 1.00 0.00 C ATOM 519 C CYS A 38 3.825 -4.688 -0.064 1.00 0.00 C ATOM 520 O CYS A 38 4.291 -5.500 -0.838 1.00 0.00 O ATOM 521 CB CYS A 38 5.283 -2.815 0.703 1.00 0.00 C ATOM 522 SG CYS A 38 5.487 -1.014 0.732 1.00 0.00 S ATOM 0 H CYS A 38 3.007 -1.855 1.029 1.00 0.00 H new ATOM 0 HA CYS A 38 4.366 -2.962 -1.237 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.107 -3.185 1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.198 -3.287 0.345 1.00 0.00 H new ATOM 527 N ASN A 39 3.046 -5.052 0.918 1.00 0.00 N ATOM 528 CA ASN A 39 2.715 -6.490 1.103 1.00 0.00 C ATOM 529 C ASN A 39 1.705 -6.888 0.033 1.00 0.00 C ATOM 530 O ASN A 39 1.833 -7.911 -0.610 1.00 0.00 O ATOM 531 CB ASN A 39 2.116 -6.718 2.494 1.00 0.00 C ATOM 532 CG ASN A 39 3.236 -7.025 3.488 1.00 0.00 C ATOM 533 OD1 ASN A 39 3.514 -6.235 4.369 1.00 0.00 O ATOM 534 ND2 ASN A 39 3.895 -8.148 3.388 1.00 0.00 N ATOM 0 H ASN A 39 2.627 -4.417 1.597 1.00 0.00 H new ATOM 0 HA ASN A 39 3.617 -7.095 1.014 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.564 -5.834 2.813 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.405 -7.544 2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.642 -8.361 4.049 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.663 -8.812 2.649 1.00 0.00 H new ATOM 541 N ALA A 40 0.719 -6.069 -0.187 1.00 0.00 N ATOM 542 CA ALA A 40 -0.277 -6.381 -1.243 1.00 0.00 C ATOM 543 C ALA A 40 0.482 -6.496 -2.561 1.00 0.00 C ATOM 544 O ALA A 40 0.032 -7.114 -3.507 1.00 0.00 O ATOM 545 CB ALA A 40 -1.310 -5.256 -1.331 1.00 0.00 C ATOM 0 H ALA A 40 0.560 -5.198 0.319 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.803 -7.309 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.038 -5.491 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.821 -5.155 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.808 -4.320 -1.575 1.00 0.00 H new ATOM 551 N VAL A 41 1.650 -5.909 -2.616 1.00 0.00 N ATOM 552 CA VAL A 41 2.475 -5.980 -3.852 1.00 0.00 C ATOM 553 C VAL A 41 3.196 -7.327 -3.877 1.00 0.00 C ATOM 554 O VAL A 41 3.395 -7.915 -4.922 1.00 0.00 O ATOM 555 CB VAL A 41 3.501 -4.839 -3.842 1.00 0.00 C ATOM 556 CG1 VAL A 41 4.646 -5.145 -4.812 1.00 0.00 C ATOM 557 CG2 VAL A 41 2.815 -3.539 -4.267 1.00 0.00 C ATOM 0 H VAL A 41 2.068 -5.380 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 41 1.844 -5.883 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 41 3.906 -4.736 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.366 -4.327 -4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.140 -6.070 -4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.248 -5.257 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.541 -2.726 -4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.407 -3.654 -5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.007 -3.310 -3.572 1.00 0.00 H new ATOM 567 N VAL A 42 3.583 -7.825 -2.734 1.00 0.00 N ATOM 568 CA VAL A 42 4.281 -9.137 -2.703 1.00 0.00 C ATOM 569 C VAL A 42 3.302 -10.221 -3.145 1.00 0.00 C ATOM 570 O VAL A 42 3.686 -11.251 -3.665 1.00 0.00 O ATOM 571 CB VAL A 42 4.770 -9.423 -1.281 1.00 0.00 C ATOM 572 CG1 VAL A 42 5.635 -10.684 -1.281 1.00 0.00 C ATOM 573 CG2 VAL A 42 5.602 -8.237 -0.787 1.00 0.00 C ATOM 0 H VAL A 42 3.446 -7.381 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 42 5.140 -9.121 -3.374 1.00 0.00 H new ATOM 0 HB VAL A 42 3.913 -9.572 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.983 -10.887 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.046 -11.529 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.493 -10.536 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.953 -8.435 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.458 -8.093 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.988 -7.336 -0.788 1.00 0.00 H new ATOM 583 N GLU A 43 2.034 -9.983 -2.959 1.00 0.00 N ATOM 584 CA GLU A 43 1.015 -10.982 -3.385 1.00 0.00 C ATOM 585 C GLU A 43 0.403 -10.531 -4.714 1.00 0.00 C ATOM 586 O GLU A 43 -0.350 -11.252 -5.340 1.00 0.00 O ATOM 587 CB GLU A 43 -0.085 -11.078 -2.325 1.00 0.00 C ATOM 588 CG GLU A 43 0.544 -11.351 -0.958 1.00 0.00 C ATOM 589 CD GLU A 43 -0.417 -12.187 -0.111 1.00 0.00 C ATOM 590 OE1 GLU A 43 -1.505 -12.465 -0.586 1.00 0.00 O ATOM 591 OE2 GLU A 43 -0.046 -12.536 0.997 1.00 0.00 O ATOM 0 H GLU A 43 1.658 -9.138 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 43 1.485 -11.958 -3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.657 -10.151 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.783 -11.875 -2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.490 -11.878 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.766 -10.410 -0.454 1.00 0.00 H new ATOM 598 N SER A 44 0.720 -9.339 -5.148 1.00 0.00 N ATOM 599 CA SER A 44 0.159 -8.836 -6.432 1.00 0.00 C ATOM 600 C SER A 44 1.183 -9.031 -7.552 1.00 0.00 C ATOM 601 O SER A 44 0.954 -8.658 -8.685 1.00 0.00 O ATOM 602 CB SER A 44 -0.166 -7.348 -6.292 1.00 0.00 C ATOM 603 OG SER A 44 -1.496 -7.201 -5.815 1.00 0.00 O ATOM 0 H SER A 44 1.345 -8.693 -4.666 1.00 0.00 H new ATOM 0 HA SER A 44 -0.749 -9.389 -6.674 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.534 -6.874 -5.604 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.055 -6.848 -7.254 1.00 0.00 H new ATOM 0 HG SER A 44 -1.485 -7.100 -4.840 1.00 0.00 H new ATOM 609 N ASN A 45 2.310 -9.616 -7.247 1.00 0.00 N ATOM 610 CA ASN A 45 3.341 -9.839 -8.302 1.00 0.00 C ATOM 611 C ASN A 45 4.062 -8.525 -8.611 1.00 0.00 C ATOM 612 O ASN A 45 4.823 -8.433 -9.555 1.00 0.00 O ATOM 613 CB ASN A 45 2.663 -10.364 -9.568 1.00 0.00 C ATOM 614 CG ASN A 45 3.670 -11.174 -10.388 1.00 0.00 C ATOM 615 OD1 ASN A 45 3.298 -12.307 -10.917 1.00 0.00 O flip ATOM 616 ND2 ASN A 45 4.805 -10.772 -10.546 1.00 0.00 N flip ATOM 0 H ASN A 45 2.561 -9.948 -6.316 1.00 0.00 H new ATOM 0 HA ASN A 45 4.069 -10.569 -7.948 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.808 -10.987 -9.304 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.281 -9.533 -10.160 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.095 -9.886 -10.132 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.469 -11.320 -11.093 1.00 0.00 H new ATOM 623 N GLY A 46 3.834 -7.508 -7.827 1.00 0.00 N ATOM 624 CA GLY A 46 4.510 -6.206 -8.079 1.00 0.00 C ATOM 625 C GLY A 46 3.775 -5.446 -9.185 1.00 0.00 C ATOM 626 O GLY A 46 4.341 -4.605 -9.853 1.00 0.00 O ATOM 0 H GLY A 46 3.208 -7.523 -7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.526 -5.611 -7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.547 -6.374 -8.368 1.00 0.00 H new ATOM 630 N THR A 47 2.517 -5.735 -9.380 1.00 0.00 N ATOM 631 CA THR A 47 1.749 -5.024 -10.442 1.00 0.00 C ATOM 632 C THR A 47 0.757 -4.058 -9.791 1.00 0.00 C ATOM 633 O THR A 47 0.237 -3.162 -10.429 1.00 0.00 O ATOM 634 CB THR A 47 0.990 -6.047 -11.293 1.00 0.00 C ATOM 635 OG1 THR A 47 1.113 -7.335 -10.706 1.00 0.00 O ATOM 636 CG2 THR A 47 1.570 -6.070 -12.708 1.00 0.00 C ATOM 0 H THR A 47 1.989 -6.430 -8.852 1.00 0.00 H new ATOM 0 HA THR A 47 2.435 -4.464 -11.077 1.00 0.00 H new ATOM 0 HB THR A 47 -0.063 -5.769 -11.341 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.621 -7.357 -9.859 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.028 -6.798 -13.311 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.472 -5.082 -13.158 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.624 -6.346 -12.665 1.00 0.00 H new ATOM 644 N LEU A 48 0.496 -4.228 -8.525 1.00 0.00 N ATOM 645 CA LEU A 48 -0.456 -3.316 -7.829 1.00 0.00 C ATOM 646 C LEU A 48 0.207 -1.944 -7.659 1.00 0.00 C ATOM 647 O LEU A 48 1.347 -1.846 -7.251 1.00 0.00 O ATOM 648 CB LEU A 48 -0.807 -3.906 -6.460 1.00 0.00 C ATOM 649 CG LEU A 48 -1.532 -2.858 -5.619 1.00 0.00 C ATOM 650 CD1 LEU A 48 -2.687 -2.263 -6.426 1.00 0.00 C ATOM 651 CD2 LEU A 48 -2.082 -3.517 -4.351 1.00 0.00 C ATOM 0 H LEU A 48 0.901 -4.960 -7.941 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.370 -3.205 -8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.437 -4.787 -6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.100 -4.232 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.835 -2.065 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.204 -1.515 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.296 -1.795 -7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.385 -3.054 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.600 -2.771 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.779 -4.309 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.259 -3.941 -3.775 1.00 0.00 H new ATOM 663 N THR A 49 -0.486 -0.886 -7.988 1.00 0.00 N ATOM 664 CA THR A 49 0.130 0.469 -7.863 1.00 0.00 C ATOM 665 C THR A 49 -0.724 1.380 -6.970 1.00 0.00 C ATOM 666 O THR A 49 -1.417 0.938 -6.080 1.00 0.00 O ATOM 667 CB THR A 49 0.256 1.092 -9.255 1.00 0.00 C ATOM 668 OG1 THR A 49 -1.032 1.442 -9.736 1.00 0.00 O ATOM 669 CG2 THR A 49 0.901 0.083 -10.208 1.00 0.00 C ATOM 0 H THR A 49 -1.445 -0.900 -8.335 1.00 0.00 H new ATOM 0 HA THR A 49 1.114 0.365 -7.406 1.00 0.00 H new ATOM 0 HB THR A 49 0.877 1.986 -9.198 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.067 2.407 -9.905 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.991 0.526 -11.200 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.891 -0.185 -9.839 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.281 -0.812 -10.265 1.00 0.00 H new ATOM 677 N LEU A 50 -0.651 2.656 -7.210 1.00 0.00 N ATOM 678 CA LEU A 50 -1.415 3.651 -6.408 1.00 0.00 C ATOM 679 C LEU A 50 -2.552 4.217 -7.273 1.00 0.00 C ATOM 680 O LEU A 50 -2.395 4.428 -8.459 1.00 0.00 O ATOM 681 CB LEU A 50 -0.437 4.771 -5.991 1.00 0.00 C ATOM 682 CG LEU A 50 -1.130 6.139 -5.925 1.00 0.00 C ATOM 683 CD1 LEU A 50 -2.088 6.180 -4.734 1.00 0.00 C ATOM 684 CD2 LEU A 50 -0.071 7.230 -5.755 1.00 0.00 C ATOM 0 H LEU A 50 -0.078 3.063 -7.949 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.850 3.196 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.007 4.534 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.388 4.816 -6.702 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.691 6.303 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.576 7.154 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.842 5.400 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.530 6.015 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.557 8.205 -5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.485 7.057 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.614 7.207 -6.602 1.00 0.00 H new ATOM 696 N SER A 51 -3.686 4.478 -6.684 1.00 0.00 N ATOM 697 CA SER A 51 -4.819 5.046 -7.469 1.00 0.00 C ATOM 698 C SER A 51 -5.060 6.477 -6.993 1.00 0.00 C ATOM 699 O SER A 51 -5.334 7.369 -7.770 1.00 0.00 O ATOM 700 CB SER A 51 -6.078 4.207 -7.241 1.00 0.00 C ATOM 701 OG SER A 51 -6.791 4.091 -8.465 1.00 0.00 O ATOM 0 H SER A 51 -3.878 4.323 -5.694 1.00 0.00 H new ATOM 0 HA SER A 51 -4.581 5.038 -8.533 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.808 3.219 -6.869 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.707 4.673 -6.483 1.00 0.00 H new ATOM 0 HG SER A 51 -7.598 3.553 -8.324 1.00 0.00 H new ATOM 707 N HIS A 52 -4.935 6.699 -5.714 1.00 0.00 N ATOM 708 CA HIS A 52 -5.125 8.062 -5.162 1.00 0.00 C ATOM 709 C HIS A 52 -4.990 7.994 -3.634 1.00 0.00 C ATOM 710 O HIS A 52 -5.822 7.436 -2.947 1.00 0.00 O ATOM 711 CB HIS A 52 -6.502 8.617 -5.597 1.00 0.00 C ATOM 712 CG HIS A 52 -7.512 8.527 -4.480 1.00 0.00 C ATOM 713 ND1 HIS A 52 -8.253 7.380 -4.244 1.00 0.00 N ATOM 714 CD2 HIS A 52 -7.909 9.433 -3.526 1.00 0.00 C ATOM 715 CE1 HIS A 52 -9.051 7.623 -3.187 1.00 0.00 C ATOM 716 NE2 HIS A 52 -8.881 8.861 -2.713 1.00 0.00 N ATOM 0 H HIS A 52 -4.707 5.984 -5.023 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.366 8.743 -5.547 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.395 9.656 -5.909 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.863 8.060 -6.462 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.524 10.437 -3.423 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.744 6.905 -2.773 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -9.361 9.293 -1.924 1.00 0.00 H new ATOM 724 N PHE A 53 -3.933 8.544 -3.108 1.00 0.00 N ATOM 725 CA PHE A 53 -3.718 8.513 -1.636 1.00 0.00 C ATOM 726 C PHE A 53 -5.041 8.805 -0.923 1.00 0.00 C ATOM 727 O PHE A 53 -5.403 9.943 -0.704 1.00 0.00 O ATOM 728 CB PHE A 53 -2.683 9.575 -1.259 1.00 0.00 C ATOM 729 CG PHE A 53 -1.305 9.127 -1.695 1.00 0.00 C ATOM 730 CD1 PHE A 53 -0.893 9.322 -3.018 1.00 0.00 C ATOM 731 CD2 PHE A 53 -0.440 8.518 -0.775 1.00 0.00 C ATOM 732 CE1 PHE A 53 0.382 8.911 -3.423 1.00 0.00 C ATOM 733 CE2 PHE A 53 0.838 8.106 -1.182 1.00 0.00 C ATOM 734 CZ PHE A 53 1.246 8.304 -2.508 1.00 0.00 C ATOM 0 H PHE A 53 -3.203 9.018 -3.640 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.357 7.529 -1.335 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.933 10.524 -1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.697 9.743 -0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.560 9.790 -3.727 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.757 8.366 0.246 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.699 9.063 -4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.506 7.637 -0.475 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.229 7.987 -2.823 1.00 0.00 H new ATOM 744 N GLY A 54 -5.767 7.781 -0.566 1.00 0.00 N ATOM 745 CA GLY A 54 -7.072 7.988 0.123 1.00 0.00 C ATOM 746 C GLY A 54 -7.890 6.698 0.050 1.00 0.00 C ATOM 747 O GLY A 54 -7.646 5.844 -0.780 1.00 0.00 O ATOM 0 H GLY A 54 -5.511 6.806 -0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.907 8.270 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.619 8.806 -0.346 1.00 0.00 H new ATOM 751 N LYS A 55 -8.857 6.544 0.911 1.00 0.00 N ATOM 752 CA LYS A 55 -9.686 5.306 0.887 1.00 0.00 C ATOM 753 C LYS A 55 -10.725 5.411 -0.230 1.00 0.00 C ATOM 754 O LYS A 55 -11.318 6.449 -0.445 1.00 0.00 O ATOM 755 CB LYS A 55 -10.396 5.142 2.231 1.00 0.00 C ATOM 756 CG LYS A 55 -11.170 6.421 2.560 1.00 0.00 C ATOM 757 CD LYS A 55 -10.619 7.035 3.848 1.00 0.00 C ATOM 758 CE LYS A 55 -10.031 8.414 3.546 1.00 0.00 C ATOM 759 NZ LYS A 55 -10.678 9.432 4.421 1.00 0.00 N ATOM 0 H LYS A 55 -9.109 7.222 1.630 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.046 4.442 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.077 4.292 2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.669 4.933 3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.083 7.133 1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.230 6.197 2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.412 7.121 4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.853 6.387 4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.954 8.407 3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.189 8.667 2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.279 10.370 4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.702 9.445 4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.506 9.193 5.418 1.00 0.00 H new ATOM 773 N CYS A 56 -10.951 4.341 -0.944 1.00 0.00 N ATOM 774 CA CYS A 56 -11.953 4.382 -2.046 1.00 0.00 C ATOM 775 C CYS A 56 -13.300 3.875 -1.528 1.00 0.00 C ATOM 776 O CYS A 56 -14.306 4.488 -1.847 1.00 0.00 O ATOM 777 CB CYS A 56 -11.480 3.489 -3.197 1.00 0.00 C ATOM 778 SG CYS A 56 -10.542 4.484 -4.383 1.00 0.00 S ATOM 779 OXT CYS A 56 -13.304 2.882 -0.817 1.00 0.00 O ATOM 0 H CYS A 56 -10.486 3.443 -0.812 1.00 0.00 H new ATOM 0 HA CYS A 56 -12.063 5.407 -2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -10.859 2.680 -2.813 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -12.336 3.027 -3.689 1.00 0.00 H new TER 784 CYS A 56