USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 557 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 NoAdj-H: A 43 HIS HD1 : A 43 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 64 HIS : no HD1:sc= -6.58! C(o=-7.3!,f=-8.7!) USER MOD Set 1.2: A 65 GLN : amide:sc= -0.758 K(o=-7.3,f=-6.2) USER MOD Set 2.1: A 50 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0117) USER MOD Set 2.2: A 67 GLN : amide:sc= 1.02 K(o=2.2,f=-2.8) USER MOD Set 2.3: A 69 TYR OH : rot 160:sc= 1.16 USER MOD Single : A 1 GLY N :NH3+ -173:sc= 0 (180deg=-0.0466) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.2!) USER MOD Single : A 16 LYS NZ :NH3+ 140:sc= 0.806 (180deg=0.15) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.00118 K(o=0.0012,f=-1.9!) USER MOD Single : A 26 THR OG1 : rot 22:sc= 0.202 USER MOD Single : A 30 LYS NZ :NH3+ -123:sc= -0.172 (180deg=-1.61!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -39:sc= 0.119 USER MOD Single : A 48 HIS : no HE2:sc= 0.415 K(o=0.42,f=-2.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.00171 K(o=0.0017,f=-0.51) USER MOD Single : A 58 ASN : amide:sc= -0.649 K(o=-0.65,f=-0.15) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0607) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.111 -12.881 -6.464 1.00 0.00 N ATOM 2 CA GLY A 1 -19.744 -13.285 -6.193 1.00 0.00 C ATOM 3 C GLY A 1 -18.746 -12.606 -7.110 1.00 0.00 C ATOM 4 O GLY A 1 -17.665 -12.210 -6.676 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.741 -13.279 -5.738 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.176 -11.843 -6.448 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.397 -13.231 -7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.498 -13.052 -5.157 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.659 -14.366 -6.305 1.00 0.00 H new ATOM 8 N SER A 2 -19.108 -12.474 -8.382 1.00 0.00 N ATOM 9 CA SER A 2 -18.234 -11.844 -9.364 1.00 0.00 C ATOM 10 C SER A 2 -18.188 -10.333 -9.159 1.00 0.00 C ATOM 11 O SER A 2 -18.863 -9.793 -8.284 1.00 0.00 O ATOM 12 CB SER A 2 -18.711 -12.163 -10.782 1.00 0.00 C ATOM 13 OG SER A 2 -19.659 -11.210 -11.228 1.00 0.00 O ATOM 0 H SER A 2 -20.001 -12.795 -8.757 1.00 0.00 H new ATOM 0 HA SER A 2 -17.229 -12.243 -9.228 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.858 -12.178 -11.461 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.154 -13.159 -10.805 1.00 0.00 H new ATOM 0 HG SER A 2 -19.947 -11.436 -12.137 1.00 0.00 H new ATOM 19 N SER A 3 -17.385 -9.656 -9.975 1.00 0.00 N ATOM 20 CA SER A 3 -17.246 -8.207 -9.882 1.00 0.00 C ATOM 21 C SER A 3 -18.264 -7.506 -10.776 1.00 0.00 C ATOM 22 O SER A 3 -19.101 -8.150 -11.407 1.00 0.00 O ATOM 23 CB SER A 3 -15.829 -7.784 -10.272 1.00 0.00 C ATOM 24 OG SER A 3 -14.897 -8.124 -9.260 1.00 0.00 O ATOM 0 H SER A 3 -16.821 -10.088 -10.707 1.00 0.00 H new ATOM 0 HA SER A 3 -17.433 -7.913 -8.849 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.547 -8.267 -11.207 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.803 -6.709 -10.448 1.00 0.00 H new ATOM 0 HG SER A 3 -13.999 -7.844 -9.535 1.00 0.00 H new ATOM 30 N GLY A 4 -18.184 -6.179 -10.824 1.00 0.00 N ATOM 31 CA GLY A 4 -19.104 -5.411 -11.643 1.00 0.00 C ATOM 32 C GLY A 4 -18.395 -4.378 -12.497 1.00 0.00 C ATOM 33 O GLY A 4 -17.917 -3.364 -11.988 1.00 0.00 O ATOM 0 H GLY A 4 -17.500 -5.623 -10.311 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.664 -6.088 -12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.828 -4.911 -11.000 1.00 0.00 H new ATOM 37 N SER A 5 -18.325 -4.636 -13.799 1.00 0.00 N ATOM 38 CA SER A 5 -17.664 -3.724 -14.725 1.00 0.00 C ATOM 39 C SER A 5 -18.442 -2.417 -14.847 1.00 0.00 C ATOM 40 O SER A 5 -19.438 -2.207 -14.155 1.00 0.00 O ATOM 41 CB SER A 5 -17.521 -4.376 -16.102 1.00 0.00 C ATOM 42 OG SER A 5 -18.788 -4.714 -16.640 1.00 0.00 O ATOM 0 H SER A 5 -18.718 -5.469 -14.237 1.00 0.00 H new ATOM 0 HA SER A 5 -16.672 -3.502 -14.332 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.005 -3.695 -16.779 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.906 -5.272 -16.021 1.00 0.00 H new ATOM 0 HG SER A 5 -18.670 -5.127 -17.521 1.00 0.00 H new ATOM 48 N SER A 6 -17.978 -1.540 -15.732 1.00 0.00 N ATOM 49 CA SER A 6 -18.626 -0.251 -15.944 1.00 0.00 C ATOM 50 C SER A 6 -20.099 -0.435 -16.297 1.00 0.00 C ATOM 51 O SER A 6 -20.462 -1.349 -17.036 1.00 0.00 O ATOM 52 CB SER A 6 -17.916 0.524 -17.055 1.00 0.00 C ATOM 53 OG SER A 6 -18.469 1.821 -17.205 1.00 0.00 O ATOM 0 H SER A 6 -17.155 -1.699 -16.314 1.00 0.00 H new ATOM 0 HA SER A 6 -18.561 0.317 -15.016 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.853 0.602 -16.826 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.000 -0.022 -17.995 1.00 0.00 H new ATOM 0 HG SER A 6 -17.997 2.297 -17.920 1.00 0.00 H new ATOM 59 N GLY A 7 -20.943 0.441 -15.761 1.00 0.00 N ATOM 60 CA GLY A 7 -22.367 0.359 -16.030 1.00 0.00 C ATOM 61 C GLY A 7 -23.125 -0.356 -14.928 1.00 0.00 C ATOM 62 O GLY A 7 -24.229 -0.855 -15.148 1.00 0.00 O ATOM 0 H GLY A 7 -20.666 1.206 -15.145 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.769 1.365 -16.150 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.526 -0.163 -16.974 1.00 0.00 H new ATOM 66 N ASP A 8 -22.531 -0.407 -13.741 1.00 0.00 N ATOM 67 CA ASP A 8 -23.157 -1.066 -12.601 1.00 0.00 C ATOM 68 C ASP A 8 -24.366 -0.274 -12.111 1.00 0.00 C ATOM 69 O ASP A 8 -24.246 0.895 -11.744 1.00 0.00 O ATOM 70 CB ASP A 8 -22.148 -1.235 -11.465 1.00 0.00 C ATOM 71 CG ASP A 8 -22.816 -1.519 -10.134 1.00 0.00 C ATOM 72 OD1 ASP A 8 -23.406 -2.610 -9.987 1.00 0.00 O ATOM 73 OD2 ASP A 8 -22.748 -0.652 -9.239 1.00 0.00 O ATOM 0 H ASP A 8 -21.617 0.000 -13.543 1.00 0.00 H new ATOM 0 HA ASP A 8 -23.497 -2.050 -12.924 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -21.466 -2.050 -11.707 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -21.546 -0.330 -11.380 1.00 0.00 H new ATOM 78 N CYS A 9 -25.528 -0.918 -12.109 1.00 0.00 N ATOM 79 CA CYS A 9 -26.759 -0.273 -11.667 1.00 0.00 C ATOM 80 C CYS A 9 -27.118 -0.703 -10.248 1.00 0.00 C ATOM 81 O CYS A 9 -28.110 -1.399 -10.032 1.00 0.00 O ATOM 82 CB CYS A 9 -27.906 -0.609 -12.620 1.00 0.00 C ATOM 83 SG CYS A 9 -27.978 0.445 -14.088 1.00 0.00 S ATOM 0 H CYS A 9 -25.643 -1.886 -12.409 1.00 0.00 H new ATOM 0 HA CYS A 9 -26.597 0.805 -11.671 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -27.809 -1.648 -12.936 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -28.849 -0.526 -12.080 1.00 0.00 H new ATOM 0 HG CYS A 9 -28.979 0.082 -14.834 1.00 0.00 H new ATOM 89 N TYR A 10 -26.303 -0.286 -9.285 1.00 0.00 N ATOM 90 CA TYR A 10 -26.533 -0.632 -7.887 1.00 0.00 C ATOM 91 C TYR A 10 -26.271 0.567 -6.980 1.00 0.00 C ATOM 92 O TYR A 10 -25.682 1.562 -7.400 1.00 0.00 O ATOM 93 CB TYR A 10 -25.638 -1.802 -7.476 1.00 0.00 C ATOM 94 CG TYR A 10 -26.206 -2.631 -6.346 1.00 0.00 C ATOM 95 CD1 TYR A 10 -27.402 -3.321 -6.499 1.00 0.00 C ATOM 96 CD2 TYR A 10 -25.546 -2.725 -5.127 1.00 0.00 C ATOM 97 CE1 TYR A 10 -27.926 -4.079 -5.469 1.00 0.00 C ATOM 98 CE2 TYR A 10 -26.061 -3.482 -4.093 1.00 0.00 C ATOM 99 CZ TYR A 10 -27.251 -4.157 -4.268 1.00 0.00 C ATOM 100 OH TYR A 10 -27.769 -4.912 -3.241 1.00 0.00 O ATOM 0 H TYR A 10 -25.478 0.292 -9.447 1.00 0.00 H new ATOM 0 HA TYR A 10 -27.577 -0.926 -7.778 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -25.475 -2.445 -8.341 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -24.663 -1.416 -7.178 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -27.931 -3.264 -7.439 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -24.614 -2.197 -4.986 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -28.858 -4.607 -5.603 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -25.535 -3.545 -3.152 1.00 0.00 H new ATOM 0 HH TYR A 10 -27.172 -4.863 -2.465 1.00 0.00 H new ATOM 110 N LYS A 11 -26.714 0.463 -5.732 1.00 0.00 N ATOM 111 CA LYS A 11 -26.528 1.535 -4.761 1.00 0.00 C ATOM 112 C LYS A 11 -25.480 1.153 -3.722 1.00 0.00 C ATOM 113 O LYS A 11 -25.674 1.361 -2.525 1.00 0.00 O ATOM 114 CB LYS A 11 -27.854 1.860 -4.069 1.00 0.00 C ATOM 115 CG LYS A 11 -28.436 0.693 -3.292 1.00 0.00 C ATOM 116 CD LYS A 11 -29.908 0.909 -2.979 1.00 0.00 C ATOM 117 CE LYS A 11 -30.791 0.519 -4.154 1.00 0.00 C ATOM 118 NZ LYS A 11 -31.017 -0.952 -4.214 1.00 0.00 N ATOM 0 H LYS A 11 -27.205 -0.354 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 11 -26.178 2.418 -5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -27.704 2.699 -3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -28.576 2.183 -4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -28.317 -0.225 -3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -27.881 0.561 -2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -30.185 0.321 -2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -30.078 1.956 -2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -31.750 1.031 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -30.328 0.854 -5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -31.623 -1.177 -5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -30.104 -1.440 -4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -31.482 -1.268 -3.339 1.00 0.00 H new ATOM 132 N ASN A 12 -24.368 0.593 -4.187 1.00 0.00 N ATOM 133 CA ASN A 12 -23.288 0.183 -3.297 1.00 0.00 C ATOM 134 C ASN A 12 -21.942 0.236 -4.014 1.00 0.00 C ATOM 135 O ASN A 12 -21.807 -0.243 -5.140 1.00 0.00 O ATOM 136 CB ASN A 12 -23.543 -1.231 -2.771 1.00 0.00 C ATOM 137 CG ASN A 12 -22.899 -1.470 -1.419 1.00 0.00 C ATOM 138 OD1 ASN A 12 -22.405 -0.540 -0.781 1.00 0.00 O ATOM 139 ND2 ASN A 12 -22.902 -2.721 -0.975 1.00 0.00 N ATOM 0 H ASN A 12 -24.191 0.413 -5.175 1.00 0.00 H new ATOM 0 HA ASN A 12 -23.259 0.877 -2.457 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -24.617 -1.399 -2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -23.158 -1.957 -3.487 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -22.484 -2.943 -0.072 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -23.323 -3.461 -1.537 1.00 0.00 H new ATOM 146 N PHE A 13 -20.949 0.822 -3.353 1.00 0.00 N ATOM 147 CA PHE A 13 -19.613 0.938 -3.926 1.00 0.00 C ATOM 148 C PHE A 13 -18.560 0.393 -2.966 1.00 0.00 C ATOM 149 O PHE A 13 -18.698 0.502 -1.748 1.00 0.00 O ATOM 150 CB PHE A 13 -19.305 2.399 -4.263 1.00 0.00 C ATOM 151 CG PHE A 13 -17.946 2.600 -4.868 1.00 0.00 C ATOM 152 CD1 PHE A 13 -17.767 2.532 -6.241 1.00 0.00 C ATOM 153 CD2 PHE A 13 -16.846 2.858 -4.065 1.00 0.00 C ATOM 154 CE1 PHE A 13 -16.517 2.718 -6.801 1.00 0.00 C ATOM 155 CE2 PHE A 13 -15.595 3.045 -4.621 1.00 0.00 C ATOM 156 CZ PHE A 13 -15.430 2.973 -5.990 1.00 0.00 C ATOM 0 H PHE A 13 -21.044 1.224 -2.420 1.00 0.00 H new ATOM 0 HA PHE A 13 -19.585 0.347 -4.841 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -20.061 2.771 -4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -19.382 2.997 -3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -18.614 2.331 -6.880 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -16.968 2.913 -2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -16.391 2.664 -7.872 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.746 3.248 -3.985 1.00 0.00 H new ATOM 0 HZ PHE A 13 -14.452 3.116 -6.425 1.00 0.00 H new ATOM 166 N VAL A 14 -17.507 -0.196 -3.524 1.00 0.00 N ATOM 167 CA VAL A 14 -16.429 -0.758 -2.720 1.00 0.00 C ATOM 168 C VAL A 14 -15.109 -0.047 -2.994 1.00 0.00 C ATOM 169 O VAL A 14 -14.783 0.258 -4.141 1.00 0.00 O ATOM 170 CB VAL A 14 -16.254 -2.264 -2.990 1.00 0.00 C ATOM 171 CG1 VAL A 14 -15.823 -2.502 -4.429 1.00 0.00 C ATOM 172 CG2 VAL A 14 -15.251 -2.867 -2.018 1.00 0.00 C ATOM 0 H VAL A 14 -17.378 -0.296 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 14 -16.706 -0.613 -1.676 1.00 0.00 H new ATOM 0 HB VAL A 14 -17.214 -2.756 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -15.704 -3.572 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -16.581 -2.107 -5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.874 -1.998 -4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -15.140 -3.932 -2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.287 -2.372 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.606 -2.730 -0.997 1.00 0.00 H new ATOM 182 N ALA A 15 -14.353 0.216 -1.933 1.00 0.00 N ATOM 183 CA ALA A 15 -13.067 0.889 -2.060 1.00 0.00 C ATOM 184 C ALA A 15 -11.931 -0.118 -2.207 1.00 0.00 C ATOM 185 O ALA A 15 -12.120 -1.317 -2.000 1.00 0.00 O ATOM 186 CB ALA A 15 -12.822 1.791 -0.859 1.00 0.00 C ATOM 0 H ALA A 15 -14.609 -0.027 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.094 1.501 -2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.858 2.287 -0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.611 2.540 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.821 1.192 0.052 1.00 0.00 H new ATOM 192 N LYS A 16 -10.751 0.376 -2.567 1.00 0.00 N ATOM 193 CA LYS A 16 -9.584 -0.481 -2.742 1.00 0.00 C ATOM 194 C LYS A 16 -9.117 -1.043 -1.404 1.00 0.00 C ATOM 195 O LYS A 16 -9.013 -0.317 -0.415 1.00 0.00 O ATOM 196 CB LYS A 16 -8.447 0.301 -3.404 1.00 0.00 C ATOM 197 CG LYS A 16 -8.583 0.412 -4.913 1.00 0.00 C ATOM 198 CD LYS A 16 -8.010 -0.807 -5.616 1.00 0.00 C ATOM 199 CE LYS A 16 -8.278 -0.765 -7.112 1.00 0.00 C ATOM 200 NZ LYS A 16 -7.196 -0.055 -7.850 1.00 0.00 N ATOM 0 H LYS A 16 -10.578 1.366 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.868 -1.313 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.409 1.303 -2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.499 -0.182 -3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.635 0.525 -5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.069 1.308 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.936 -0.859 -5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.447 -1.711 -5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.370 -1.782 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.230 -0.268 -7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.996 -0.555 -8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.499 0.917 -8.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.336 -0.031 -7.266 1.00 0.00 H new ATOM 214 N LYS A 17 -8.834 -2.342 -1.379 1.00 0.00 N ATOM 215 CA LYS A 17 -8.375 -3.002 -0.163 1.00 0.00 C ATOM 216 C LYS A 17 -6.855 -3.125 -0.152 1.00 0.00 C ATOM 217 O LYS A 17 -6.250 -3.559 -1.133 1.00 0.00 O ATOM 218 CB LYS A 17 -9.011 -4.389 -0.040 1.00 0.00 C ATOM 219 CG LYS A 17 -10.395 -4.370 0.585 1.00 0.00 C ATOM 220 CD LYS A 17 -11.477 -4.168 -0.463 1.00 0.00 C ATOM 221 CE LYS A 17 -11.861 -5.482 -1.127 1.00 0.00 C ATOM 222 NZ LYS A 17 -12.858 -6.240 -0.322 1.00 0.00 N ATOM 0 H LYS A 17 -8.915 -2.958 -2.188 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.679 -2.393 0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.075 -4.839 -1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.360 -5.026 0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.569 -5.307 1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.450 -3.572 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.357 -3.723 0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.126 -3.466 -1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.270 -5.282 -2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.969 -6.092 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.093 -7.129 -0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.459 -6.453 0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.720 -5.669 -0.209 1.00 0.00 H new ATOM 236 N CYS A 18 -6.243 -2.743 0.964 1.00 0.00 N ATOM 237 CA CYS A 18 -4.793 -2.811 1.103 1.00 0.00 C ATOM 238 C CYS A 18 -4.278 -4.203 0.749 1.00 0.00 C ATOM 239 O CYS A 18 -4.994 -5.194 0.884 1.00 0.00 O ATOM 240 CB CYS A 18 -4.380 -2.450 2.532 1.00 0.00 C ATOM 241 SG CYS A 18 -2.592 -2.172 2.740 1.00 0.00 S ATOM 0 H CYS A 18 -6.729 -2.383 1.785 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.352 -2.093 0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.915 -1.551 2.837 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.693 -3.250 3.203 1.00 0.00 H new ATOM 246 N ALA A 19 -3.030 -4.268 0.296 1.00 0.00 N ATOM 247 CA ALA A 19 -2.418 -5.538 -0.075 1.00 0.00 C ATOM 248 C ALA A 19 -1.444 -6.012 0.998 1.00 0.00 C ATOM 249 O ALA A 19 -0.518 -6.773 0.718 1.00 0.00 O ATOM 250 CB ALA A 19 -1.708 -5.410 -1.415 1.00 0.00 C ATOM 0 H ALA A 19 -2.424 -3.457 0.177 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.209 -6.282 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.256 -6.366 -1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.428 -5.124 -2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.932 -4.648 -1.344 1.00 0.00 H new ATOM 256 N GLY A 20 -1.659 -5.557 2.229 1.00 0.00 N ATOM 257 CA GLY A 20 -0.791 -5.945 3.326 1.00 0.00 C ATOM 258 C GLY A 20 -1.567 -6.347 4.565 1.00 0.00 C ATOM 259 O GLY A 20 -1.249 -7.348 5.208 1.00 0.00 O ATOM 0 H GLY A 20 -2.419 -4.927 2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.161 -6.776 3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.127 -5.116 3.570 1.00 0.00 H new ATOM 263 N CYS A 21 -2.586 -5.564 4.902 1.00 0.00 N ATOM 264 CA CYS A 21 -3.409 -5.841 6.073 1.00 0.00 C ATOM 265 C CYS A 21 -4.765 -6.408 5.664 1.00 0.00 C ATOM 266 O CYS A 21 -5.527 -6.894 6.501 1.00 0.00 O ATOM 267 CB CYS A 21 -3.604 -4.568 6.898 1.00 0.00 C ATOM 268 SG CYS A 21 -4.373 -3.197 5.978 1.00 0.00 S ATOM 0 H CYS A 21 -2.862 -4.732 4.380 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.893 -6.584 6.681 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.222 -4.801 7.765 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.635 -4.240 7.275 1.00 0.00 H new ATOM 273 N LYS A 22 -5.061 -6.344 4.370 1.00 0.00 N ATOM 274 CA LYS A 22 -6.324 -6.851 3.847 1.00 0.00 C ATOM 275 C LYS A 22 -7.507 -6.154 4.510 1.00 0.00 C ATOM 276 O LYS A 22 -8.396 -6.805 5.057 1.00 0.00 O ATOM 277 CB LYS A 22 -6.420 -8.363 4.067 1.00 0.00 C ATOM 278 CG LYS A 22 -5.656 -9.177 3.037 1.00 0.00 C ATOM 279 CD LYS A 22 -4.215 -9.403 3.462 1.00 0.00 C ATOM 280 CE LYS A 22 -3.537 -10.454 2.597 1.00 0.00 C ATOM 281 NZ LYS A 22 -3.160 -9.915 1.261 1.00 0.00 N ATOM 0 H LYS A 22 -4.442 -5.945 3.664 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.356 -6.642 2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.041 -8.602 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.469 -8.659 4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.149 -10.138 2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.676 -8.662 2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.664 -8.465 3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.187 -9.716 4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.645 -10.822 3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.205 -11.305 2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.701 -10.662 0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.014 -9.587 0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.502 -9.119 1.381 1.00 0.00 H new ATOM 295 N ASN A 23 -7.511 -4.826 4.457 1.00 0.00 N ATOM 296 CA ASN A 23 -8.586 -4.041 5.053 1.00 0.00 C ATOM 297 C ASN A 23 -8.922 -2.832 4.185 1.00 0.00 C ATOM 298 O ASN A 23 -8.132 -2.401 3.344 1.00 0.00 O ATOM 299 CB ASN A 23 -8.192 -3.580 6.458 1.00 0.00 C ATOM 300 CG ASN A 23 -8.589 -4.580 7.527 1.00 0.00 C ATOM 301 OD1 ASN A 23 -9.758 -4.673 7.901 1.00 0.00 O ATOM 302 ND2 ASN A 23 -7.616 -5.334 8.023 1.00 0.00 N ATOM 0 H ASN A 23 -6.782 -4.271 4.008 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.470 -4.675 5.121 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.114 -3.420 6.496 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.664 -2.620 6.668 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.823 -6.025 8.744 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.661 -5.223 7.683 1.00 0.00 H new ATOM 309 N PRO A 24 -10.122 -2.270 4.392 1.00 0.00 N ATOM 310 CA PRO A 24 -10.590 -1.102 3.639 1.00 0.00 C ATOM 311 C PRO A 24 -9.824 0.166 4.002 1.00 0.00 C ATOM 312 O PRO A 24 -9.637 0.474 5.179 1.00 0.00 O ATOM 313 CB PRO A 24 -12.058 -0.977 4.054 1.00 0.00 C ATOM 314 CG PRO A 24 -12.128 -1.620 5.396 1.00 0.00 C ATOM 315 CD PRO A 24 -11.115 -2.731 5.377 1.00 0.00 C ATOM 0 HA PRO A 24 -10.445 -1.224 2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.369 0.067 4.098 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.715 -1.476 3.341 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.904 -0.902 6.185 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.128 -2.007 5.591 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.667 -2.883 6.359 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.564 -3.679 5.081 1.00 0.00 H new ATOM 323 N ILE A 25 -9.385 0.898 2.983 1.00 0.00 N ATOM 324 CA ILE A 25 -8.641 2.133 3.196 1.00 0.00 C ATOM 325 C ILE A 25 -9.582 3.325 3.330 1.00 0.00 C ATOM 326 O ILE A 25 -9.853 4.030 2.356 1.00 0.00 O ATOM 327 CB ILE A 25 -7.652 2.400 2.046 1.00 0.00 C ATOM 328 CG1 ILE A 25 -6.827 1.146 1.752 1.00 0.00 C ATOM 329 CG2 ILE A 25 -6.743 3.571 2.389 1.00 0.00 C ATOM 330 CD1 ILE A 25 -5.839 1.324 0.620 1.00 0.00 C ATOM 0 H ILE A 25 -9.532 0.657 2.003 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.082 2.009 4.123 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.219 2.656 1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.286 0.857 2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.502 0.326 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.050 3.747 1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.346 4.464 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.181 3.342 3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.289 0.395 0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.375 1.583 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.140 2.122 0.869 1.00 0.00 H new ATOM 342 N THR A 26 -10.078 3.548 4.543 1.00 0.00 N ATOM 343 CA THR A 26 -10.989 4.655 4.805 1.00 0.00 C ATOM 344 C THR A 26 -10.223 5.923 5.166 1.00 0.00 C ATOM 345 O THR A 26 -9.339 5.904 6.021 1.00 0.00 O ATOM 346 CB THR A 26 -11.969 4.319 5.945 1.00 0.00 C ATOM 347 OG1 THR A 26 -11.255 4.178 7.179 1.00 0.00 O ATOM 348 CG2 THR A 26 -12.730 3.036 5.644 1.00 0.00 C ATOM 0 H THR A 26 -9.864 2.976 5.360 1.00 0.00 H new ATOM 0 HA THR A 26 -11.554 4.823 3.888 1.00 0.00 H new ATOM 0 HB THR A 26 -12.685 5.136 6.031 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.399 4.651 7.117 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.416 2.819 6.463 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.295 3.156 4.720 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.025 2.212 5.533 1.00 0.00 H new ATOM 356 N GLY A 27 -10.569 7.025 4.508 1.00 0.00 N ATOM 357 CA GLY A 27 -9.905 8.288 4.775 1.00 0.00 C ATOM 358 C GLY A 27 -10.884 9.422 5.003 1.00 0.00 C ATOM 359 O GLY A 27 -11.669 9.761 4.118 1.00 0.00 O ATOM 0 H GLY A 27 -11.297 7.066 3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.267 8.181 5.652 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.254 8.537 3.937 1.00 0.00 H new ATOM 363 N PHE A 28 -10.840 10.009 6.195 1.00 0.00 N ATOM 364 CA PHE A 28 -11.732 11.110 6.538 1.00 0.00 C ATOM 365 C PHE A 28 -10.970 12.431 6.593 1.00 0.00 C ATOM 366 O PHE A 28 -11.525 13.492 6.313 1.00 0.00 O ATOM 367 CB PHE A 28 -12.412 10.843 7.883 1.00 0.00 C ATOM 368 CG PHE A 28 -13.639 9.985 7.775 1.00 0.00 C ATOM 369 CD1 PHE A 28 -14.740 10.415 7.052 1.00 0.00 C ATOM 370 CD2 PHE A 28 -13.692 8.747 8.396 1.00 0.00 C ATOM 371 CE1 PHE A 28 -15.871 9.627 6.952 1.00 0.00 C ATOM 372 CE2 PHE A 28 -14.821 7.955 8.299 1.00 0.00 C ATOM 373 CZ PHE A 28 -15.911 8.395 7.575 1.00 0.00 C ATOM 0 H PHE A 28 -10.196 9.740 6.939 1.00 0.00 H new ATOM 0 HA PHE A 28 -12.494 11.183 5.762 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.699 10.361 8.552 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.683 11.795 8.339 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -14.714 11.377 6.561 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -12.842 8.397 8.962 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -16.723 9.974 6.387 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -14.850 6.993 8.789 1.00 0.00 H new ATOM 0 HZ PHE A 28 -16.793 7.777 7.496 1.00 0.00 H new ATOM 383 N GLY A 29 -9.694 12.356 6.958 1.00 0.00 N ATOM 384 CA GLY A 29 -8.876 13.552 7.044 1.00 0.00 C ATOM 385 C GLY A 29 -7.871 13.486 8.177 1.00 0.00 C ATOM 386 O GLY A 29 -7.865 12.534 8.957 1.00 0.00 O ATOM 0 H GLY A 29 -9.212 11.489 7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.348 13.696 6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.520 14.420 7.184 1.00 0.00 H new ATOM 390 N LYS A 30 -7.016 14.499 8.267 1.00 0.00 N ATOM 391 CA LYS A 30 -6.000 14.553 9.311 1.00 0.00 C ATOM 392 C LYS A 30 -5.176 13.270 9.337 1.00 0.00 C ATOM 393 O LYS A 30 -4.908 12.714 10.401 1.00 0.00 O ATOM 394 CB LYS A 30 -6.655 14.779 10.676 1.00 0.00 C ATOM 395 CG LYS A 30 -7.637 15.937 10.696 1.00 0.00 C ATOM 396 CD LYS A 30 -8.315 16.070 12.050 1.00 0.00 C ATOM 397 CE LYS A 30 -7.444 16.833 13.036 1.00 0.00 C ATOM 398 NZ LYS A 30 -6.482 15.937 13.736 1.00 0.00 N ATOM 0 H LYS A 30 -7.007 15.295 7.629 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.333 15.387 9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.174 13.869 10.976 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.877 14.961 11.417 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.114 16.863 10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.391 15.789 9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.269 16.584 11.932 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.534 15.079 12.447 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.895 17.613 12.508 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.077 17.330 13.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.621 16.013 14.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.642 14.954 13.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.509 16.217 13.497 1.00 0.00 H new ATOM 412 N GLY A 31 -4.776 12.806 8.157 1.00 0.00 N ATOM 413 CA GLY A 31 -3.986 11.592 8.066 1.00 0.00 C ATOM 414 C GLY A 31 -4.430 10.693 6.930 1.00 0.00 C ATOM 415 O GLY A 31 -5.020 9.637 7.158 1.00 0.00 O ATOM 0 H GLY A 31 -4.985 13.249 7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.937 11.855 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.057 11.045 9.006 1.00 0.00 H new ATOM 419 N SER A 32 -4.149 11.113 5.700 1.00 0.00 N ATOM 420 CA SER A 32 -4.529 10.342 4.523 1.00 0.00 C ATOM 421 C SER A 32 -3.296 9.913 3.733 1.00 0.00 C ATOM 422 O SER A 32 -3.345 9.776 2.511 1.00 0.00 O ATOM 423 CB SER A 32 -5.462 11.161 3.629 1.00 0.00 C ATOM 424 OG SER A 32 -6.682 11.447 4.291 1.00 0.00 O ATOM 0 H SER A 32 -3.659 11.984 5.493 1.00 0.00 H new ATOM 0 HA SER A 32 -5.053 9.447 4.859 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.973 12.092 3.344 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.664 10.612 2.709 1.00 0.00 H new ATOM 0 HG SER A 32 -7.260 11.973 3.699 1.00 0.00 H new ATOM 430 N SER A 33 -2.191 9.702 4.442 1.00 0.00 N ATOM 431 CA SER A 33 -0.944 9.293 3.808 1.00 0.00 C ATOM 432 C SER A 33 -1.001 7.826 3.393 1.00 0.00 C ATOM 433 O SER A 33 -0.995 6.929 4.237 1.00 0.00 O ATOM 434 CB SER A 33 0.234 9.521 4.757 1.00 0.00 C ATOM 435 OG SER A 33 0.108 10.757 5.439 1.00 0.00 O ATOM 0 H SER A 33 -2.135 9.808 5.455 1.00 0.00 H new ATOM 0 HA SER A 33 -0.804 9.900 2.914 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.285 8.707 5.480 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.167 9.506 4.194 1.00 0.00 H new ATOM 0 HG SER A 33 0.872 10.878 6.040 1.00 0.00 H new ATOM 441 N VAL A 34 -1.057 7.588 2.087 1.00 0.00 N ATOM 442 CA VAL A 34 -1.114 6.230 1.558 1.00 0.00 C ATOM 443 C VAL A 34 -0.342 6.117 0.249 1.00 0.00 C ATOM 444 O VAL A 34 -0.301 7.058 -0.544 1.00 0.00 O ATOM 445 CB VAL A 34 -2.568 5.780 1.324 1.00 0.00 C ATOM 446 CG1 VAL A 34 -3.252 6.687 0.313 1.00 0.00 C ATOM 447 CG2 VAL A 34 -2.609 4.330 0.866 1.00 0.00 C ATOM 0 H VAL A 34 -1.064 8.318 1.375 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.656 5.580 2.304 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.110 5.855 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.278 6.353 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.255 7.711 0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.713 6.648 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.644 4.028 0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.052 4.227 -0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.160 3.694 1.629 1.00 0.00 H new ATOM 457 N VAL A 35 0.271 4.958 0.027 1.00 0.00 N ATOM 458 CA VAL A 35 1.041 4.720 -1.187 1.00 0.00 C ATOM 459 C VAL A 35 0.204 3.997 -2.236 1.00 0.00 C ATOM 460 O VAL A 35 -0.691 3.221 -1.904 1.00 0.00 O ATOM 461 CB VAL A 35 2.307 3.892 -0.896 1.00 0.00 C ATOM 462 CG1 VAL A 35 3.192 3.817 -2.131 1.00 0.00 C ATOM 463 CG2 VAL A 35 3.069 4.481 0.281 1.00 0.00 C ATOM 0 H VAL A 35 0.249 4.169 0.673 1.00 0.00 H new ATOM 0 HA VAL A 35 1.335 5.697 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 35 2.005 2.878 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.081 3.228 -1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.641 3.346 -2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.488 4.823 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.960 3.884 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.361 5.505 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.432 4.477 1.166 1.00 0.00 H new ATOM 473 N ALA A 36 0.502 4.257 -3.505 1.00 0.00 N ATOM 474 CA ALA A 36 -0.221 3.628 -4.604 1.00 0.00 C ATOM 475 C ALA A 36 0.728 3.233 -5.731 1.00 0.00 C ATOM 476 O ALA A 36 1.647 3.978 -6.071 1.00 0.00 O ATOM 477 CB ALA A 36 -1.303 4.562 -5.125 1.00 0.00 C ATOM 0 H ALA A 36 1.239 4.899 -3.797 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.691 2.720 -4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.835 4.080 -5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.004 4.791 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.846 5.485 -5.481 1.00 0.00 H new ATOM 483 N TYR A 37 0.499 2.058 -6.305 1.00 0.00 N ATOM 484 CA TYR A 37 1.335 1.563 -7.392 1.00 0.00 C ATOM 485 C TYR A 37 0.648 0.418 -8.131 1.00 0.00 C ATOM 486 O TYR A 37 0.079 -0.480 -7.512 1.00 0.00 O ATOM 487 CB TYR A 37 2.688 1.095 -6.851 1.00 0.00 C ATOM 488 CG TYR A 37 3.765 1.008 -7.907 1.00 0.00 C ATOM 489 CD1 TYR A 37 4.203 2.145 -8.577 1.00 0.00 C ATOM 490 CD2 TYR A 37 4.345 -0.211 -8.238 1.00 0.00 C ATOM 491 CE1 TYR A 37 5.187 2.070 -9.543 1.00 0.00 C ATOM 492 CE2 TYR A 37 5.331 -0.295 -9.202 1.00 0.00 C ATOM 493 CZ TYR A 37 5.748 0.848 -9.852 1.00 0.00 C ATOM 494 OH TYR A 37 6.729 0.768 -10.814 1.00 0.00 O ATOM 0 H TYR A 37 -0.259 1.430 -6.036 1.00 0.00 H new ATOM 0 HA TYR A 37 1.494 2.381 -8.094 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.013 1.780 -6.068 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.566 0.116 -6.388 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.766 3.103 -8.338 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.019 -1.108 -7.733 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.516 2.963 -10.054 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.773 -1.250 -9.445 1.00 0.00 H new ATOM 0 HH TYR A 37 7.018 -0.163 -10.910 1.00 0.00 H new ATOM 504 N GLU A 38 0.706 0.460 -9.458 1.00 0.00 N ATOM 505 CA GLU A 38 0.089 -0.573 -10.282 1.00 0.00 C ATOM 506 C GLU A 38 -1.388 -0.737 -9.933 1.00 0.00 C ATOM 507 O GLU A 38 -1.960 -1.813 -10.101 1.00 0.00 O ATOM 508 CB GLU A 38 0.819 -1.905 -10.100 1.00 0.00 C ATOM 509 CG GLU A 38 2.215 -1.921 -10.699 1.00 0.00 C ATOM 510 CD GLU A 38 2.933 -3.237 -10.470 1.00 0.00 C ATOM 511 OE1 GLU A 38 2.256 -4.233 -10.141 1.00 0.00 O ATOM 512 OE2 GLU A 38 4.172 -3.270 -10.621 1.00 0.00 O ATOM 0 H GLU A 38 1.173 1.197 -9.985 1.00 0.00 H new ATOM 0 HA GLU A 38 0.166 -0.265 -11.325 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.887 -2.130 -9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.228 -2.699 -10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.149 -1.729 -11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.802 -1.111 -10.265 1.00 0.00 H new ATOM 519 N GLY A 39 -1.998 0.339 -9.445 1.00 0.00 N ATOM 520 CA GLY A 39 -3.402 0.293 -9.079 1.00 0.00 C ATOM 521 C GLY A 39 -3.608 -0.033 -7.613 1.00 0.00 C ATOM 522 O GLY A 39 -4.525 0.487 -6.978 1.00 0.00 O ATOM 0 H GLY A 39 -1.546 1.241 -9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.864 1.254 -9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.909 -0.454 -9.689 1.00 0.00 H new ATOM 526 N GLN A 40 -2.754 -0.898 -7.075 1.00 0.00 N ATOM 527 CA GLN A 40 -2.850 -1.295 -5.675 1.00 0.00 C ATOM 528 C GLN A 40 -2.478 -0.137 -4.755 1.00 0.00 C ATOM 529 O GLN A 40 -2.020 0.910 -5.212 1.00 0.00 O ATOM 530 CB GLN A 40 -1.940 -2.493 -5.399 1.00 0.00 C ATOM 531 CG GLN A 40 -2.505 -3.813 -5.899 1.00 0.00 C ATOM 532 CD GLN A 40 -1.426 -4.839 -6.185 1.00 0.00 C ATOM 533 OE1 GLN A 40 -0.887 -4.898 -7.290 1.00 0.00 O ATOM 534 NE2 GLN A 40 -1.104 -5.653 -5.187 1.00 0.00 N ATOM 0 H GLN A 40 -1.989 -1.337 -7.587 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.883 -1.579 -5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.972 -2.320 -5.870 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.764 -2.566 -4.326 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.194 -4.214 -5.156 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.083 -3.636 -6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.577 -5.569 -4.287 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.384 -6.363 -5.320 1.00 0.00 H new ATOM 543 N SER A 41 -2.680 -0.332 -3.455 1.00 0.00 N ATOM 544 CA SER A 41 -2.369 0.698 -2.471 1.00 0.00 C ATOM 545 C SER A 41 -1.791 0.079 -1.202 1.00 0.00 C ATOM 546 O SER A 41 -1.984 -1.106 -0.932 1.00 0.00 O ATOM 547 CB SER A 41 -3.625 1.504 -2.132 1.00 0.00 C ATOM 548 OG SER A 41 -4.170 2.111 -3.291 1.00 0.00 O ATOM 0 H SER A 41 -3.057 -1.193 -3.060 1.00 0.00 H new ATOM 0 HA SER A 41 -1.623 1.365 -2.902 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.369 0.850 -1.676 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.381 2.271 -1.397 1.00 0.00 H new ATOM 0 HG SER A 41 -4.972 2.619 -3.048 1.00 0.00 H new ATOM 554 N TRP A 42 -1.080 0.891 -0.427 1.00 0.00 N ATOM 555 CA TRP A 42 -0.472 0.424 0.814 1.00 0.00 C ATOM 556 C TRP A 42 -0.375 1.556 1.832 1.00 0.00 C ATOM 557 O TRP A 42 0.196 2.610 1.550 1.00 0.00 O ATOM 558 CB TRP A 42 0.918 -0.152 0.540 1.00 0.00 C ATOM 559 CG TRP A 42 0.884 -1.473 -0.168 1.00 0.00 C ATOM 560 CD1 TRP A 42 0.790 -2.708 0.406 1.00 0.00 C ATOM 561 CD2 TRP A 42 0.947 -1.689 -1.582 1.00 0.00 C ATOM 562 NE1 TRP A 42 0.790 -3.679 -0.566 1.00 0.00 N ATOM 563 CE2 TRP A 42 0.885 -3.080 -1.794 1.00 0.00 C ATOM 564 CE3 TRP A 42 1.047 -0.843 -2.690 1.00 0.00 C ATOM 565 CZ2 TRP A 42 0.921 -3.641 -3.068 1.00 0.00 C ATOM 566 CZ3 TRP A 42 1.083 -1.401 -3.953 1.00 0.00 C ATOM 567 CH2 TRP A 42 1.019 -2.789 -4.134 1.00 0.00 C ATOM 0 H TRP A 42 -0.911 1.875 -0.636 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.107 -0.359 1.228 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.487 0.559 -0.059 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.448 -0.268 1.485 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.725 -2.894 1.468 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.729 -4.684 -0.400 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.095 0.228 -2.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.873 -4.711 -3.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.162 -0.756 -4.816 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.048 -3.194 -5.135 1.00 0.00 H new ATOM 578 N HIS A 43 -0.937 1.331 3.015 1.00 0.00 N ATOM 579 CA HIS A 43 -0.912 2.332 4.075 1.00 0.00 C ATOM 580 C HIS A 43 0.518 2.766 4.380 1.00 0.00 C ATOM 581 O HIS A 43 1.470 2.031 4.116 1.00 0.00 O ATOM 582 CB HIS A 43 -1.571 1.782 5.341 1.00 0.00 C ATOM 583 CG HIS A 43 -3.014 1.425 5.158 1.00 0.00 C ATOM 584 ND1 HIS A 43 -3.483 0.130 5.223 1.00 0.00 N ATOM 585 CD2 HIS A 43 -4.095 2.203 4.911 1.00 0.00 C ATOM 586 CE1 HIS A 43 -4.789 0.126 5.024 1.00 0.00 C ATOM 587 NE2 HIS A 43 -5.185 1.372 4.832 1.00 0.00 N ATOM 0 H HIS A 43 -1.415 0.465 3.264 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.471 3.202 3.731 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.025 0.898 5.670 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.486 2.523 6.136 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.099 3.277 4.797 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.425 -0.747 5.019 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.145 1.668 4.654 1.00 0.00 H new ATOM 595 N ASP A 44 0.662 3.964 4.936 1.00 0.00 N ATOM 596 CA ASP A 44 1.977 4.496 5.277 1.00 0.00 C ATOM 597 C ASP A 44 2.701 3.572 6.252 1.00 0.00 C ATOM 598 O ASP A 44 3.931 3.526 6.283 1.00 0.00 O ATOM 599 CB ASP A 44 1.843 5.893 5.884 1.00 0.00 C ATOM 600 CG ASP A 44 3.110 6.343 6.585 1.00 0.00 C ATOM 601 OD1 ASP A 44 3.336 5.913 7.736 1.00 0.00 O ATOM 602 OD2 ASP A 44 3.875 7.125 5.984 1.00 0.00 O ATOM 0 H ASP A 44 -0.115 4.585 5.160 1.00 0.00 H new ATOM 0 HA ASP A 44 2.564 4.561 4.361 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.594 6.605 5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.016 5.900 6.594 1.00 0.00 H new ATOM 607 N TYR A 45 1.930 2.838 7.046 1.00 0.00 N ATOM 608 CA TYR A 45 2.497 1.918 8.025 1.00 0.00 C ATOM 609 C TYR A 45 2.636 0.516 7.438 1.00 0.00 C ATOM 610 O TYR A 45 3.432 -0.294 7.914 1.00 0.00 O ATOM 611 CB TYR A 45 1.625 1.873 9.280 1.00 0.00 C ATOM 612 CG TYR A 45 0.170 1.577 8.996 1.00 0.00 C ATOM 613 CD1 TYR A 45 -0.273 0.272 8.817 1.00 0.00 C ATOM 614 CD2 TYR A 45 -0.763 2.603 8.908 1.00 0.00 C ATOM 615 CE1 TYR A 45 -1.601 -0.002 8.557 1.00 0.00 C ATOM 616 CE2 TYR A 45 -2.094 2.338 8.649 1.00 0.00 C ATOM 617 CZ TYR A 45 -2.508 1.034 8.474 1.00 0.00 C ATOM 618 OH TYR A 45 -3.833 0.764 8.216 1.00 0.00 O ATOM 0 H TYR A 45 0.910 2.862 7.031 1.00 0.00 H new ATOM 0 HA TYR A 45 3.489 2.280 8.294 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.016 1.113 9.957 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.698 2.829 9.798 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.434 -0.542 8.882 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.442 3.625 9.044 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.928 -1.022 8.419 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.806 3.147 8.584 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.897 0.042 7.556 1.00 0.00 H new ATOM 628 N CYS A 46 1.855 0.237 6.400 1.00 0.00 N ATOM 629 CA CYS A 46 1.888 -1.066 5.746 1.00 0.00 C ATOM 630 C CYS A 46 3.039 -1.144 4.747 1.00 0.00 C ATOM 631 O CYS A 46 3.686 -2.182 4.609 1.00 0.00 O ATOM 632 CB CYS A 46 0.561 -1.336 5.033 1.00 0.00 C ATOM 633 SG CYS A 46 -0.693 -2.144 6.079 1.00 0.00 S ATOM 0 H CYS A 46 1.191 0.896 5.993 1.00 0.00 H new ATOM 0 HA CYS A 46 2.043 -1.826 6.512 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.159 -0.392 4.666 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.750 -1.962 4.161 1.00 0.00 H new ATOM 638 N PHE A 47 3.290 -0.038 4.054 1.00 0.00 N ATOM 639 CA PHE A 47 4.362 0.020 3.067 1.00 0.00 C ATOM 640 C PHE A 47 5.728 -0.042 3.745 1.00 0.00 C ATOM 641 O PHE A 47 6.300 0.986 4.109 1.00 0.00 O ATOM 642 CB PHE A 47 4.250 1.299 2.235 1.00 0.00 C ATOM 643 CG PHE A 47 4.746 1.142 0.826 1.00 0.00 C ATOM 644 CD1 PHE A 47 4.243 0.144 0.007 1.00 0.00 C ATOM 645 CD2 PHE A 47 5.715 1.993 0.320 1.00 0.00 C ATOM 646 CE1 PHE A 47 4.698 -0.002 -1.290 1.00 0.00 C ATOM 647 CE2 PHE A 47 6.174 1.852 -0.976 1.00 0.00 C ATOM 648 CZ PHE A 47 5.664 0.853 -1.782 1.00 0.00 C ATOM 0 H PHE A 47 2.765 0.831 4.158 1.00 0.00 H new ATOM 0 HA PHE A 47 4.263 -0.843 2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.208 1.618 2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.815 2.092 2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.487 -0.527 0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.117 2.776 0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.298 -0.784 -1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.930 2.522 -1.358 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.020 0.741 -2.795 1.00 0.00 H new ATOM 658 N HIS A 48 6.245 -1.255 3.911 1.00 0.00 N ATOM 659 CA HIS A 48 7.544 -1.451 4.545 1.00 0.00 C ATOM 660 C HIS A 48 8.238 -2.692 3.989 1.00 0.00 C ATOM 661 O HIS A 48 7.583 -3.653 3.584 1.00 0.00 O ATOM 662 CB HIS A 48 7.382 -1.579 6.060 1.00 0.00 C ATOM 663 CG HIS A 48 6.397 -2.631 6.470 1.00 0.00 C ATOM 664 ND1 HIS A 48 5.195 -2.339 7.079 1.00 0.00 N ATOM 665 CD2 HIS A 48 6.441 -3.978 6.354 1.00 0.00 C ATOM 666 CE1 HIS A 48 4.543 -3.462 7.322 1.00 0.00 C ATOM 667 NE2 HIS A 48 5.277 -4.471 6.890 1.00 0.00 N ATOM 0 H HIS A 48 5.785 -2.116 3.616 1.00 0.00 H new ATOM 0 HA HIS A 48 8.163 -0.581 4.326 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.351 -1.808 6.503 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.065 -0.618 6.466 1.00 0.00 H new ATOM 0 HD1 HIS A 48 4.861 -1.402 7.306 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.242 -4.558 5.920 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.575 -3.541 7.794 1.00 0.00 H new ATOM 675 N CYS A 49 9.566 -2.663 3.972 1.00 0.00 N ATOM 676 CA CYS A 49 10.349 -3.783 3.465 1.00 0.00 C ATOM 677 C CYS A 49 9.932 -5.088 4.139 1.00 0.00 C ATOM 678 O CYS A 49 9.558 -5.101 5.312 1.00 0.00 O ATOM 679 CB CYS A 49 11.842 -3.534 3.691 1.00 0.00 C ATOM 680 SG CYS A 49 12.931 -4.725 2.847 1.00 0.00 S ATOM 0 H CYS A 49 10.123 -1.875 4.304 1.00 0.00 H new ATOM 0 HA CYS A 49 10.160 -3.870 2.395 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.087 -2.528 3.349 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.047 -3.566 4.761 1.00 0.00 H new ATOM 685 N LYS A 50 10.001 -6.182 3.389 1.00 0.00 N ATOM 686 CA LYS A 50 9.633 -7.493 3.913 1.00 0.00 C ATOM 687 C LYS A 50 10.862 -8.241 4.420 1.00 0.00 C ATOM 688 O LYS A 50 10.856 -9.468 4.523 1.00 0.00 O ATOM 689 CB LYS A 50 8.931 -8.318 2.832 1.00 0.00 C ATOM 690 CG LYS A 50 7.863 -9.251 3.376 1.00 0.00 C ATOM 691 CD LYS A 50 6.656 -8.481 3.884 1.00 0.00 C ATOM 692 CE LYS A 50 5.481 -9.407 4.162 1.00 0.00 C ATOM 693 NZ LYS A 50 4.661 -9.644 2.942 1.00 0.00 N ATOM 0 H LYS A 50 10.308 -6.188 2.416 1.00 0.00 H new ATOM 0 HA LYS A 50 8.950 -7.344 4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.476 -7.641 2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.675 -8.906 2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.551 -9.944 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.280 -9.850 4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.922 -7.945 4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.364 -7.732 3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.851 -10.359 4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.855 -8.975 4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.842 -10.238 3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.329 -8.734 2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.238 -10.126 2.224 1.00 0.00 H new ATOM 707 N LYS A 51 11.914 -7.494 4.737 1.00 0.00 N ATOM 708 CA LYS A 51 13.150 -8.086 5.236 1.00 0.00 C ATOM 709 C LYS A 51 13.627 -7.367 6.494 1.00 0.00 C ATOM 710 O LYS A 51 13.686 -7.956 7.574 1.00 0.00 O ATOM 711 CB LYS A 51 14.237 -8.031 4.161 1.00 0.00 C ATOM 712 CG LYS A 51 15.129 -9.260 4.134 1.00 0.00 C ATOM 713 CD LYS A 51 15.687 -9.514 2.744 1.00 0.00 C ATOM 714 CE LYS A 51 14.915 -10.610 2.025 1.00 0.00 C ATOM 715 NZ LYS A 51 15.819 -11.667 1.492 1.00 0.00 N ATOM 0 H LYS A 51 11.936 -6.477 4.657 1.00 0.00 H new ATOM 0 HA LYS A 51 12.949 -9.128 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.766 -7.913 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.854 -7.148 4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.950 -9.130 4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.561 -10.130 4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.644 -8.595 2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.737 -9.796 2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.197 -11.059 2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.343 -10.174 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.255 -12.395 1.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.488 -11.244 0.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.346 -12.101 2.276 1.00 0.00 H new ATOM 729 N CYS A 52 13.966 -6.090 6.348 1.00 0.00 N ATOM 730 CA CYS A 52 14.438 -5.290 7.471 1.00 0.00 C ATOM 731 C CYS A 52 13.288 -4.512 8.105 1.00 0.00 C ATOM 732 O CYS A 52 13.424 -3.967 9.201 1.00 0.00 O ATOM 733 CB CYS A 52 15.531 -4.322 7.012 1.00 0.00 C ATOM 734 SG CYS A 52 15.005 -3.176 5.698 1.00 0.00 S ATOM 0 H CYS A 52 13.922 -5.587 5.462 1.00 0.00 H new ATOM 0 HA CYS A 52 14.852 -5.967 8.218 1.00 0.00 H new ATOM 0 HB2 CYS A 52 15.872 -3.742 7.870 1.00 0.00 H new ATOM 0 HB3 CYS A 52 16.386 -4.898 6.657 1.00 0.00 H new ATOM 739 N SER A 53 12.157 -4.466 7.409 1.00 0.00 N ATOM 740 CA SER A 53 10.984 -3.753 7.902 1.00 0.00 C ATOM 741 C SER A 53 11.269 -2.259 8.025 1.00 0.00 C ATOM 742 O SER A 53 11.148 -1.679 9.104 1.00 0.00 O ATOM 743 CB SER A 53 10.552 -4.315 9.258 1.00 0.00 C ATOM 744 OG SER A 53 9.191 -4.019 9.522 1.00 0.00 O ATOM 0 H SER A 53 12.028 -4.914 6.502 1.00 0.00 H new ATOM 0 HA SER A 53 10.175 -3.893 7.185 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.702 -5.395 9.272 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.178 -3.895 10.045 1.00 0.00 H new ATOM 0 HG SER A 53 8.939 -4.390 10.393 1.00 0.00 H new ATOM 750 N VAL A 54 11.650 -1.642 6.911 1.00 0.00 N ATOM 751 CA VAL A 54 11.952 -0.216 6.892 1.00 0.00 C ATOM 752 C VAL A 54 10.795 0.583 6.302 1.00 0.00 C ATOM 753 O VAL A 54 10.275 0.248 5.239 1.00 0.00 O ATOM 754 CB VAL A 54 13.229 0.077 6.083 1.00 0.00 C ATOM 755 CG1 VAL A 54 13.051 -0.348 4.633 1.00 0.00 C ATOM 756 CG2 VAL A 54 13.591 1.552 6.174 1.00 0.00 C ATOM 0 H VAL A 54 11.757 -2.108 6.010 1.00 0.00 H new ATOM 0 HA VAL A 54 12.109 0.088 7.927 1.00 0.00 H new ATOM 0 HB VAL A 54 14.049 -0.501 6.509 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.963 -0.133 4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 54 12.843 -1.417 4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 54 12.219 0.202 4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.496 1.741 5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 54 12.774 2.153 5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.763 1.821 7.216 1.00 0.00 H new ATOM 766 N ASN A 55 10.397 1.642 7.000 1.00 0.00 N ATOM 767 CA ASN A 55 9.301 2.490 6.546 1.00 0.00 C ATOM 768 C ASN A 55 9.651 3.170 5.225 1.00 0.00 C ATOM 769 O ASN A 55 10.326 4.200 5.205 1.00 0.00 O ATOM 770 CB ASN A 55 8.972 3.544 7.604 1.00 0.00 C ATOM 771 CG ASN A 55 7.796 4.416 7.205 1.00 0.00 C ATOM 772 OD1 ASN A 55 7.964 5.435 6.536 1.00 0.00 O ATOM 773 ND2 ASN A 55 6.598 4.017 7.617 1.00 0.00 N ATOM 0 H ASN A 55 10.817 1.933 7.882 1.00 0.00 H new ATOM 0 HA ASN A 55 8.427 1.858 6.389 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.750 3.049 8.549 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.847 4.172 7.771 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.769 4.563 7.380 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.507 3.165 8.170 1.00 0.00 H new ATOM 780 N LEU A 56 9.187 2.588 4.125 1.00 0.00 N ATOM 781 CA LEU A 56 9.450 3.137 2.800 1.00 0.00 C ATOM 782 C LEU A 56 8.237 3.898 2.276 1.00 0.00 C ATOM 783 O LEU A 56 8.052 4.035 1.067 1.00 0.00 O ATOM 784 CB LEU A 56 9.824 2.018 1.827 1.00 0.00 C ATOM 785 CG LEU A 56 11.051 1.186 2.200 1.00 0.00 C ATOM 786 CD1 LEU A 56 10.932 -0.223 1.639 1.00 0.00 C ATOM 787 CD2 LEU A 56 12.322 1.855 1.698 1.00 0.00 C ATOM 0 H LEU A 56 8.627 1.736 4.125 1.00 0.00 H new ATOM 0 HA LEU A 56 10.285 3.833 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.970 1.347 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.994 2.460 0.845 1.00 0.00 H new ATOM 0 HG LEU A 56 11.103 1.119 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.815 -0.800 1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.042 -0.703 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.854 -0.177 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.185 1.249 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.278 1.953 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.415 2.843 2.148 1.00 0.00 H new ATOM 799 N ALA A 57 7.413 4.394 3.194 1.00 0.00 N ATOM 800 CA ALA A 57 6.220 5.145 2.824 1.00 0.00 C ATOM 801 C ALA A 57 6.578 6.363 1.980 1.00 0.00 C ATOM 802 O ALA A 57 7.254 7.278 2.448 1.00 0.00 O ATOM 803 CB ALA A 57 5.457 5.570 4.070 1.00 0.00 C ATOM 0 H ALA A 57 7.550 4.289 4.199 1.00 0.00 H new ATOM 0 HA ALA A 57 5.583 4.495 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.568 6.130 3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.160 4.686 4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.095 6.199 4.691 1.00 0.00 H new ATOM 809 N ASN A 58 6.120 6.368 0.732 1.00 0.00 N ATOM 810 CA ASN A 58 6.393 7.474 -0.178 1.00 0.00 C ATOM 811 C ASN A 58 7.891 7.609 -0.435 1.00 0.00 C ATOM 812 O ASN A 58 8.394 8.707 -0.676 1.00 0.00 O ATOM 813 CB ASN A 58 5.842 8.781 0.394 1.00 0.00 C ATOM 814 CG ASN A 58 4.462 8.611 0.998 1.00 0.00 C ATOM 815 OD1 ASN A 58 4.201 9.058 2.116 1.00 0.00 O ATOM 816 ND2 ASN A 58 3.569 7.963 0.260 1.00 0.00 N ATOM 0 H ASN A 58 5.558 5.618 0.328 1.00 0.00 H new ATOM 0 HA ASN A 58 5.897 7.263 -1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.525 9.158 1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.800 9.531 -0.396 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.623 7.819 0.614 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.828 7.610 -0.661 1.00 0.00 H new ATOM 823 N LYS A 59 8.599 6.486 -0.383 1.00 0.00 N ATOM 824 CA LYS A 59 10.039 6.477 -0.612 1.00 0.00 C ATOM 825 C LYS A 59 10.407 5.501 -1.725 1.00 0.00 C ATOM 826 O LYS A 59 9.533 4.897 -2.348 1.00 0.00 O ATOM 827 CB LYS A 59 10.778 6.102 0.675 1.00 0.00 C ATOM 828 CG LYS A 59 10.634 7.132 1.781 1.00 0.00 C ATOM 829 CD LYS A 59 11.308 6.672 3.063 1.00 0.00 C ATOM 830 CE LYS A 59 12.815 6.555 2.889 1.00 0.00 C ATOM 831 NZ LYS A 59 13.501 6.266 4.178 1.00 0.00 N ATOM 0 H LYS A 59 8.198 5.569 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 59 10.340 7.479 -0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.404 5.143 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.836 5.968 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.071 8.077 1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.577 7.318 1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.087 7.377 3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.899 5.707 3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.038 5.763 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.205 7.482 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.526 6.194 4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.310 7.034 4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.147 5.368 4.566 1.00 0.00 H new ATOM 845 N ARG A 60 11.704 5.351 -1.969 1.00 0.00 N ATOM 846 CA ARG A 60 12.187 4.448 -3.006 1.00 0.00 C ATOM 847 C ARG A 60 12.088 2.994 -2.552 1.00 0.00 C ATOM 848 O ARG A 60 12.430 2.664 -1.416 1.00 0.00 O ATOM 849 CB ARG A 60 13.635 4.782 -3.370 1.00 0.00 C ATOM 850 CG ARG A 60 14.026 4.347 -4.773 1.00 0.00 C ATOM 851 CD ARG A 60 13.595 5.368 -5.814 1.00 0.00 C ATOM 852 NE ARG A 60 12.205 5.181 -6.222 1.00 0.00 N ATOM 853 CZ ARG A 60 11.531 6.057 -6.958 1.00 0.00 C ATOM 854 NH1 ARG A 60 12.116 7.174 -7.366 1.00 0.00 N ATOM 855 NH2 ARG A 60 10.268 5.815 -7.289 1.00 0.00 N ATOM 0 H ARG A 60 12.440 5.843 -1.462 1.00 0.00 H new ATOM 0 HA ARG A 60 11.558 4.579 -3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.785 5.858 -3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.301 4.304 -2.652 1.00 0.00 H new ATOM 0 HG2 ARG A 60 15.106 4.208 -4.824 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.569 3.383 -4.997 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.722 6.373 -5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.243 5.291 -6.687 1.00 0.00 H new ATOM 0 HE ARG A 60 11.726 4.331 -5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.086 7.363 -7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.596 7.845 -7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.815 4.956 -6.978 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.751 6.488 -7.854 1.00 0.00 H new ATOM 869 N PHE A 61 11.619 2.131 -3.446 1.00 0.00 N ATOM 870 CA PHE A 61 11.473 0.713 -3.136 1.00 0.00 C ATOM 871 C PHE A 61 11.665 -0.139 -4.387 1.00 0.00 C ATOM 872 O PHE A 61 11.939 0.379 -5.469 1.00 0.00 O ATOM 873 CB PHE A 61 10.097 0.441 -2.525 1.00 0.00 C ATOM 874 CG PHE A 61 8.959 0.709 -3.469 1.00 0.00 C ATOM 875 CD1 PHE A 61 8.465 1.994 -3.631 1.00 0.00 C ATOM 876 CD2 PHE A 61 8.384 -0.323 -4.192 1.00 0.00 C ATOM 877 CE1 PHE A 61 7.419 2.244 -4.499 1.00 0.00 C ATOM 878 CE2 PHE A 61 7.337 -0.078 -5.061 1.00 0.00 C ATOM 879 CZ PHE A 61 6.853 1.207 -5.214 1.00 0.00 C ATOM 0 H PHE A 61 11.333 2.388 -4.391 1.00 0.00 H new ATOM 0 HA PHE A 61 12.243 0.444 -2.413 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.052 -0.598 -2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.974 1.059 -1.636 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.902 2.809 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.757 -1.330 -4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.044 3.250 -4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.898 -0.891 -5.620 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.034 1.400 -5.891 1.00 0.00 H new ATOM 889 N VAL A 62 11.519 -1.451 -4.230 1.00 0.00 N ATOM 890 CA VAL A 62 11.674 -2.377 -5.346 1.00 0.00 C ATOM 891 C VAL A 62 10.703 -3.546 -5.230 1.00 0.00 C ATOM 892 O VAL A 62 10.814 -4.372 -4.323 1.00 0.00 O ATOM 893 CB VAL A 62 13.112 -2.924 -5.425 1.00 0.00 C ATOM 894 CG1 VAL A 62 13.246 -3.910 -6.575 1.00 0.00 C ATOM 895 CG2 VAL A 62 14.108 -1.783 -5.572 1.00 0.00 C ATOM 0 H VAL A 62 11.294 -1.897 -3.341 1.00 0.00 H new ATOM 0 HA VAL A 62 11.455 -1.817 -6.255 1.00 0.00 H new ATOM 0 HB VAL A 62 13.333 -3.452 -4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 62 14.268 -4.286 -6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.559 -4.743 -6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 62 13.006 -3.409 -7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.119 -2.187 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 62 13.891 -1.225 -6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 62 14.029 -1.118 -4.712 1.00 0.00 H new ATOM 905 N PHE A 63 9.751 -3.611 -6.155 1.00 0.00 N ATOM 906 CA PHE A 63 8.759 -4.680 -6.156 1.00 0.00 C ATOM 907 C PHE A 63 9.399 -6.016 -6.522 1.00 0.00 C ATOM 908 O PHE A 63 10.146 -6.112 -7.496 1.00 0.00 O ATOM 909 CB PHE A 63 7.631 -4.356 -7.138 1.00 0.00 C ATOM 910 CG PHE A 63 6.310 -4.959 -6.754 1.00 0.00 C ATOM 911 CD1 PHE A 63 5.768 -4.730 -5.499 1.00 0.00 C ATOM 912 CD2 PHE A 63 5.610 -5.753 -7.647 1.00 0.00 C ATOM 913 CE1 PHE A 63 4.553 -5.285 -5.143 1.00 0.00 C ATOM 914 CE2 PHE A 63 4.394 -6.310 -7.297 1.00 0.00 C ATOM 915 CZ PHE A 63 3.865 -6.074 -6.043 1.00 0.00 C ATOM 0 H PHE A 63 9.646 -2.937 -6.913 1.00 0.00 H new ATOM 0 HA PHE A 63 8.345 -4.759 -5.151 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.521 -3.274 -7.208 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.910 -4.713 -8.130 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.301 -4.111 -4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.019 -5.939 -8.629 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.142 -5.101 -4.161 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.859 -6.928 -8.003 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.914 -6.506 -5.767 1.00 0.00 H new ATOM 925 N HIS A 64 9.100 -7.044 -5.734 1.00 0.00 N ATOM 926 CA HIS A 64 9.646 -8.375 -5.975 1.00 0.00 C ATOM 927 C HIS A 64 8.774 -9.445 -5.324 1.00 0.00 C ATOM 928 O HIS A 64 8.427 -9.345 -4.148 1.00 0.00 O ATOM 929 CB HIS A 64 11.074 -8.468 -5.437 1.00 0.00 C ATOM 930 CG HIS A 64 11.641 -9.854 -5.480 1.00 0.00 C ATOM 931 ND1 HIS A 64 12.279 -10.440 -4.407 1.00 0.00 N ATOM 932 CD2 HIS A 64 11.661 -10.772 -6.475 1.00 0.00 C ATOM 933 CE1 HIS A 64 12.669 -11.657 -4.740 1.00 0.00 C ATOM 934 NE2 HIS A 64 12.305 -11.883 -5.990 1.00 0.00 N ATOM 0 H HIS A 64 8.483 -6.981 -4.924 1.00 0.00 H new ATOM 0 HA HIS A 64 9.659 -8.547 -7.051 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.716 -7.804 -6.016 1.00 0.00 H new ATOM 0 HB3 HIS A 64 11.090 -8.110 -4.408 1.00 0.00 H new ATOM 0 HD2 HIS A 64 11.247 -10.652 -7.465 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.196 -12.349 -4.100 1.00 0.00 H new ATOM 0 HE2 HIS A 64 12.475 -12.744 -6.510 1.00 0.00 H new ATOM 942 N GLN A 65 8.423 -10.467 -6.099 1.00 0.00 N ATOM 943 CA GLN A 65 7.591 -11.554 -5.597 1.00 0.00 C ATOM 944 C GLN A 65 6.322 -11.013 -4.947 1.00 0.00 C ATOM 945 O GLN A 65 5.951 -11.428 -3.850 1.00 0.00 O ATOM 946 CB GLN A 65 8.373 -12.401 -4.592 1.00 0.00 C ATOM 947 CG GLN A 65 9.319 -13.398 -5.241 1.00 0.00 C ATOM 948 CD GLN A 65 10.116 -14.192 -4.226 1.00 0.00 C ATOM 949 OE1 GLN A 65 10.197 -15.418 -4.304 1.00 0.00 O ATOM 950 NE2 GLN A 65 10.712 -13.496 -3.265 1.00 0.00 N ATOM 0 H GLN A 65 8.702 -10.565 -7.075 1.00 0.00 H new ATOM 0 HA GLN A 65 7.305 -12.179 -6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.946 -11.740 -3.941 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.669 -12.941 -3.959 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.746 -14.084 -5.864 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.005 -12.866 -5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.619 -12.481 -3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.263 -13.977 -2.554 1.00 0.00 H new ATOM 959 N GLU A 66 5.662 -10.083 -5.631 1.00 0.00 N ATOM 960 CA GLU A 66 4.436 -9.485 -5.118 1.00 0.00 C ATOM 961 C GLU A 66 4.671 -8.850 -3.750 1.00 0.00 C ATOM 962 O GLU A 66 3.753 -8.751 -2.936 1.00 0.00 O ATOM 963 CB GLU A 66 3.330 -10.538 -5.021 1.00 0.00 C ATOM 964 CG GLU A 66 2.813 -11.005 -6.371 1.00 0.00 C ATOM 965 CD GLU A 66 1.712 -12.040 -6.248 1.00 0.00 C ATOM 966 OE1 GLU A 66 0.630 -11.697 -5.727 1.00 0.00 O ATOM 967 OE2 GLU A 66 1.932 -13.193 -6.674 1.00 0.00 O ATOM 0 H GLU A 66 5.956 -9.728 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 66 4.125 -8.705 -5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.707 -11.399 -4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.500 -10.129 -4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.439 -10.147 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.638 -11.425 -6.947 1.00 0.00 H new ATOM 974 N GLN A 67 5.906 -8.424 -3.506 1.00 0.00 N ATOM 975 CA GLN A 67 6.262 -7.801 -2.237 1.00 0.00 C ATOM 976 C GLN A 67 7.095 -6.544 -2.463 1.00 0.00 C ATOM 977 O GLN A 67 7.421 -6.198 -3.599 1.00 0.00 O ATOM 978 CB GLN A 67 7.033 -8.788 -1.359 1.00 0.00 C ATOM 979 CG GLN A 67 6.141 -9.626 -0.458 1.00 0.00 C ATOM 980 CD GLN A 67 6.756 -10.968 -0.112 1.00 0.00 C ATOM 981 OE1 GLN A 67 7.936 -11.208 -0.371 1.00 0.00 O ATOM 982 NE2 GLN A 67 5.958 -11.852 0.475 1.00 0.00 N ATOM 0 H GLN A 67 6.677 -8.499 -4.170 1.00 0.00 H new ATOM 0 HA GLN A 67 5.340 -7.517 -1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.616 -9.451 -1.998 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.742 -8.236 -0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.939 -9.075 0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.182 -9.786 -0.950 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.987 -11.611 0.671 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.316 -12.772 0.730 1.00 0.00 H new ATOM 991 N VAL A 68 7.438 -5.864 -1.374 1.00 0.00 N ATOM 992 CA VAL A 68 8.235 -4.645 -1.453 1.00 0.00 C ATOM 993 C VAL A 68 9.583 -4.824 -0.765 1.00 0.00 C ATOM 994 O VAL A 68 9.678 -5.466 0.282 1.00 0.00 O ATOM 995 CB VAL A 68 7.500 -3.452 -0.814 1.00 0.00 C ATOM 996 CG1 VAL A 68 8.297 -2.170 -1.003 1.00 0.00 C ATOM 997 CG2 VAL A 68 6.103 -3.312 -1.400 1.00 0.00 C ATOM 0 H VAL A 68 7.177 -6.136 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 68 8.395 -4.440 -2.511 1.00 0.00 H new ATOM 0 HB VAL A 68 7.404 -3.637 0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.762 -1.338 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.274 -2.276 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.427 -1.976 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.598 -2.464 -0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.174 -3.149 -2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.535 -4.222 -1.208 1.00 0.00 H new ATOM 1007 N TYR A 69 10.625 -4.253 -1.359 1.00 0.00 N ATOM 1008 CA TYR A 69 11.970 -4.351 -0.804 1.00 0.00 C ATOM 1009 C TYR A 69 12.793 -3.114 -1.150 1.00 0.00 C ATOM 1010 O TYR A 69 12.987 -2.790 -2.322 1.00 0.00 O ATOM 1011 CB TYR A 69 12.670 -5.606 -1.328 1.00 0.00 C ATOM 1012 CG TYR A 69 12.045 -6.895 -0.843 1.00 0.00 C ATOM 1013 CD1 TYR A 69 12.451 -7.480 0.351 1.00 0.00 C ATOM 1014 CD2 TYR A 69 11.051 -7.528 -1.578 1.00 0.00 C ATOM 1015 CE1 TYR A 69 11.884 -8.657 0.798 1.00 0.00 C ATOM 1016 CE2 TYR A 69 10.477 -8.705 -1.137 1.00 0.00 C ATOM 1017 CZ TYR A 69 10.897 -9.266 0.051 1.00 0.00 C ATOM 1018 OH TYR A 69 10.329 -10.439 0.492 1.00 0.00 O ATOM 0 H TYR A 69 10.564 -3.717 -2.225 1.00 0.00 H new ATOM 0 HA TYR A 69 11.885 -4.417 0.281 1.00 0.00 H new ATOM 0 HB2 TYR A 69 12.655 -5.592 -2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 69 13.716 -5.582 -1.024 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.223 -7.006 0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.721 -7.093 -2.510 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.212 -9.099 1.728 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.703 -9.183 -1.720 1.00 0.00 H new ATOM 0 HH TYR A 69 9.464 -10.569 0.051 1.00 0.00 H new ATOM 1028 N CYS A 70 13.277 -2.426 -0.121 1.00 0.00 N ATOM 1029 CA CYS A 70 14.080 -1.225 -0.313 1.00 0.00 C ATOM 1030 C CYS A 70 15.221 -1.484 -1.292 1.00 0.00 C ATOM 1031 O CYS A 70 15.626 -2.623 -1.524 1.00 0.00 O ATOM 1032 CB CYS A 70 14.642 -0.743 1.026 1.00 0.00 C ATOM 1033 SG CYS A 70 15.397 -2.060 2.033 1.00 0.00 S ATOM 0 H CYS A 70 13.127 -2.680 0.855 1.00 0.00 H new ATOM 0 HA CYS A 70 13.436 -0.450 -0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 70 15.388 0.029 0.838 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.839 -0.278 1.598 1.00 0.00 H new ATOM 1038 N PRO A 71 15.752 -0.403 -1.881 1.00 0.00 N ATOM 1039 CA PRO A 71 16.854 -0.487 -2.844 1.00 0.00 C ATOM 1040 C PRO A 71 17.992 -1.372 -2.348 1.00 0.00 C ATOM 1041 O PRO A 71 18.603 -2.107 -3.123 1.00 0.00 O ATOM 1042 CB PRO A 71 17.323 0.965 -2.974 1.00 0.00 C ATOM 1043 CG PRO A 71 16.126 1.782 -2.630 1.00 0.00 C ATOM 1044 CD PRO A 71 15.318 0.986 -1.652 1.00 0.00 C ATOM 0 HA PRO A 71 16.538 -0.933 -3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.153 1.175 -2.299 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.672 1.179 -3.984 1.00 0.00 H new ATOM 0 HG2 PRO A 71 16.423 2.737 -2.197 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.541 2.004 -3.523 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.510 1.300 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.249 1.104 -1.827 1.00 0.00 H new ATOM 1052 N ASP A 72 18.271 -1.297 -1.051 1.00 0.00 N ATOM 1053 CA ASP A 72 19.334 -2.094 -0.450 1.00 0.00 C ATOM 1054 C ASP A 72 18.989 -3.579 -0.489 1.00 0.00 C ATOM 1055 O ASP A 72 19.634 -4.359 -1.191 1.00 0.00 O ATOM 1056 CB ASP A 72 19.578 -1.652 0.994 1.00 0.00 C ATOM 1057 CG ASP A 72 20.891 -2.173 1.545 1.00 0.00 C ATOM 1058 OD1 ASP A 72 20.896 -3.285 2.112 1.00 0.00 O ATOM 1059 OD2 ASP A 72 21.913 -1.468 1.409 1.00 0.00 O ATOM 0 H ASP A 72 17.776 -0.692 -0.396 1.00 0.00 H new ATOM 0 HA ASP A 72 20.244 -1.936 -1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 72 19.573 -0.563 1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.759 -2.003 1.622 1.00 0.00 H new ATOM 1064 N CYS A 73 17.969 -3.964 0.269 1.00 0.00 N ATOM 1065 CA CYS A 73 17.538 -5.356 0.324 1.00 0.00 C ATOM 1066 C CYS A 73 17.305 -5.908 -1.080 1.00 0.00 C ATOM 1067 O CYS A 73 17.561 -7.082 -1.346 1.00 0.00 O ATOM 1068 CB CYS A 73 16.259 -5.484 1.153 1.00 0.00 C ATOM 1069 SG CYS A 73 16.528 -5.405 2.953 1.00 0.00 S ATOM 0 H CYS A 73 17.424 -3.331 0.855 1.00 0.00 H new ATOM 0 HA CYS A 73 18.329 -5.937 0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.571 -4.690 0.864 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.774 -6.430 0.910 1.00 0.00 H new ATOM 1074 N ALA A 74 16.820 -5.053 -1.973 1.00 0.00 N ATOM 1075 CA ALA A 74 16.554 -5.454 -3.349 1.00 0.00 C ATOM 1076 C ALA A 74 17.799 -6.051 -3.997 1.00 0.00 C ATOM 1077 O ALA A 74 17.704 -6.898 -4.885 1.00 0.00 O ATOM 1078 CB ALA A 74 16.055 -4.266 -4.158 1.00 0.00 C ATOM 0 H ALA A 74 16.603 -4.078 -1.769 1.00 0.00 H new ATOM 0 HA ALA A 74 15.780 -6.221 -3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.860 -4.580 -5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.135 -3.884 -3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.811 -3.481 -4.156 1.00 0.00 H new ATOM 1084 N LYS A 75 18.967 -5.604 -3.547 1.00 0.00 N ATOM 1085 CA LYS A 75 20.232 -6.094 -4.081 1.00 0.00 C ATOM 1086 C LYS A 75 20.502 -7.521 -3.616 1.00 0.00 C ATOM 1087 O LYS A 75 21.203 -8.281 -4.286 1.00 0.00 O ATOM 1088 CB LYS A 75 21.380 -5.179 -3.649 1.00 0.00 C ATOM 1089 CG LYS A 75 21.178 -3.725 -4.037 1.00 0.00 C ATOM 1090 CD LYS A 75 22.505 -3.002 -4.199 1.00 0.00 C ATOM 1091 CE LYS A 75 22.304 -1.508 -4.400 1.00 0.00 C ATOM 1092 NZ LYS A 75 22.221 -0.780 -3.104 1.00 0.00 N ATOM 0 H LYS A 75 19.063 -4.902 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 75 20.164 -6.092 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.498 -5.245 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.308 -5.539 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.617 -3.671 -4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.580 -3.224 -3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.123 -3.172 -3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 75 23.044 -3.416 -5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.128 -1.107 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.391 -1.338 -4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 21.574 0.028 -3.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 21.865 -1.422 -2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.166 -0.437 -2.838 1.00 0.00 H new ATOM 1106 N LYS A 76 19.941 -7.881 -2.467 1.00 0.00 N ATOM 1107 CA LYS A 76 20.119 -9.218 -1.913 1.00 0.00 C ATOM 1108 C LYS A 76 19.298 -10.242 -2.690 1.00 0.00 C ATOM 1109 O LYS A 76 19.626 -11.429 -2.711 1.00 0.00 O ATOM 1110 CB LYS A 76 19.715 -9.239 -0.437 1.00 0.00 C ATOM 1111 CG LYS A 76 20.454 -8.218 0.410 1.00 0.00 C ATOM 1112 CD LYS A 76 20.188 -8.426 1.892 1.00 0.00 C ATOM 1113 CE LYS A 76 21.121 -9.472 2.484 1.00 0.00 C ATOM 1114 NZ LYS A 76 20.526 -10.132 3.679 1.00 0.00 N ATOM 0 H LYS A 76 19.358 -7.265 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 76 21.173 -9.482 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.643 -9.056 -0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 76 19.898 -10.235 -0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.524 -8.291 0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 76 20.146 -7.213 0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.315 -7.482 2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.153 -8.736 2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.349 -10.225 1.729 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.065 -9.002 2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.192 -10.838 4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.332 -9.418 4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.638 -10.602 3.410 1.00 0.00 H new ATOM 1128 N LEU A 77 18.231 -9.776 -3.330 1.00 0.00 N ATOM 1129 CA LEU A 77 17.364 -10.652 -4.111 1.00 0.00 C ATOM 1130 C LEU A 77 18.136 -11.303 -5.254 1.00 0.00 C ATOM 1131 O LEU A 77 17.754 -11.188 -6.418 1.00 0.00 O ATOM 1132 CB LEU A 77 16.177 -9.863 -4.666 1.00 0.00 C ATOM 1133 CG LEU A 77 15.436 -8.974 -3.667 1.00 0.00 C ATOM 1134 CD1 LEU A 77 14.379 -8.140 -4.375 1.00 0.00 C ATOM 1135 CD2 LEU A 77 14.805 -9.816 -2.568 1.00 0.00 C ATOM 0 H LEU A 77 17.945 -8.797 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 77 16.994 -11.438 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.533 -9.237 -5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.464 -10.569 -5.092 1.00 0.00 H new ATOM 0 HG LEU A 77 16.157 -8.297 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.862 -7.514 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.856 -7.508 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.660 -8.800 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.282 -9.166 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.097 -10.518 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.583 -10.368 -2.040 1.00 0.00 H new TER 1147 LEU A 77 HETATM 1148 ZN ZN A 200 -2.771 -1.781 5.049 1.00 0.00 ZN HETATM 1149 ZN ZN A 300 14.904 -3.811 3.510 1.00 0.00 ZN