USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 992 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 Set 1.1: A 125 ASN : amide:sc= 0.832 K(o=1.8,f=0.95) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 144:sc= 0.976 (180deg=0.289) USER MOD Set 2.1: A 78 SER OG : rot 31:sc= 0.178 USER MOD Set 2.2: A 80 CYS SG : rot -130:sc= -0.608 USER MOD Set 3.1: A 5 MET CE :methyl 165:sc= -0.128 (180deg=-0.72) USER MOD Set 3.2: A 35 CYS SG : rot -95:sc= 0.195 USER MOD Set 3.3: A 69 ASN : amide:sc= 0.265 K(o=0.46,f=-0.41) USER MOD Set 3.4: A 73 TYR OH : rot 30:sc= 0.127 USER MOD Set 4.1: A 39 SER OG : rot 180:sc= 0.745 USER MOD Set 4.2: A 62 SER OG : rot 84:sc= 0.846 USER MOD Set 5.1: A 11 ASN : amide:sc= -0.0989 K(o=0.4,f=-4.2!) USER MOD Set 5.2: A 34 SER OG : rot -170:sc= 0.495 USER MOD Set 6.1: A 8 CYS SG : rot 9:sc= 0.7 USER MOD Set 6.2: A 15 SER OG : rot 84:sc= -0.426 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0325 (180deg=-0.321) USER MOD Single : A 1 MET N :NH3+ 142:sc= 1.24 (180deg=0.661) USER MOD Single : A 2 LYS NZ :NH3+ 146:sc= 2.5 (180deg=1.04) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.18) USER MOD Single : A 12 SER OG : rot 90:sc= 0.733 USER MOD Single : A 13 CYS SG : rot 180:sc= 0.567 USER MOD Single : A 16 GLN : amide:sc= 1.21 K(o=1.2,f=-1.7!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 0.895 (180deg=0.872) USER MOD Single : A 24 THR OG1 : rot 92:sc= 0.71 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0.527 K(o=0.53,f=-2.9!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 151:sc= -0.146 (180deg=-1.6!) USER MOD Single : A 50 MET CE :methyl -141:sc= -0.27 (180deg=-3.07) USER MOD Single : A 58 SER OG : rot 79:sc= 1.27 USER MOD Single : A 60 GLN : amide:sc= 0.742 K(o=0.74,f=-3.6) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.841 K(o=0.84,f=-0.14) USER MOD Single : A 82 CYS SG : rot 180:sc= 0.0252 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot -30:sc= 0.155 USER MOD Single : A 93 GLN : amide:sc= 0.953 K(o=0.95,f=-0.31) USER MOD Single : A 100 GLN : amide:sc= 1.01 K(o=1,f=-0.54) USER MOD Single : A 107 GLN : amide:sc= 0.314 K(o=0.31,f=-0.81) USER MOD Single : A 108 SER OG : rot 180:sc=-0.000128 USER MOD Single : A 114 THR OG1 : rot 75:sc= 1.06 USER MOD Single : A 118 GLN : amide:sc= 1.48 K(o=1.5,f=-0.22) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 31:sc= 0.0725 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.735 -0.310 1.074 1.00 0.00 N ATOM 2 CA MET A 1 2.197 -0.154 -0.335 1.00 0.00 C ATOM 3 C MET A 1 2.224 1.324 -0.748 1.00 0.00 C ATOM 4 O MET A 1 1.196 1.995 -0.679 1.00 0.00 O ATOM 5 CB MET A 1 1.357 -0.995 -1.324 1.00 0.00 C ATOM 6 CG MET A 1 1.933 -0.974 -2.751 1.00 0.00 C ATOM 7 SD MET A 1 1.100 -2.109 -3.892 1.00 0.00 S ATOM 8 CE MET A 1 2.433 -2.377 -5.096 1.00 0.00 C ATOM 0 H1 MET A 1 1.135 -1.156 1.151 1.00 0.00 H new ATOM 0 H2 MET A 1 2.559 -0.412 1.700 1.00 0.00 H new ATOM 0 H3 MET A 1 1.188 0.529 1.355 1.00 0.00 H new ATOM 0 HA MET A 1 3.216 -0.538 -0.379 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.308 -2.025 -0.970 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.335 -0.616 -1.342 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.864 0.040 -3.146 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.992 -1.228 -2.709 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.015 -2.780 -6.018 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.930 -1.430 -5.306 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.156 -3.083 -4.687 1.00 0.00 H new ATOM 18 N LYS A 2 3.383 1.822 -1.205 1.00 0.00 N ATOM 19 CA LYS A 2 3.583 3.178 -1.775 1.00 0.00 C ATOM 20 C LYS A 2 4.331 3.136 -3.116 1.00 0.00 C ATOM 21 O LYS A 2 4.929 2.114 -3.458 1.00 0.00 O ATOM 22 CB LYS A 2 4.292 4.069 -0.730 1.00 0.00 C ATOM 23 CG LYS A 2 3.323 4.442 0.403 1.00 0.00 C ATOM 24 CD LYS A 2 3.896 5.458 1.403 1.00 0.00 C ATOM 25 CE LYS A 2 2.771 5.950 2.330 1.00 0.00 C ATOM 26 NZ LYS A 2 1.994 7.070 1.729 1.00 0.00 N ATOM 0 H LYS A 2 4.244 1.276 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 2 2.610 3.615 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.155 3.544 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.667 4.974 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.411 4.850 -0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.042 3.536 0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.692 4.999 1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.338 6.300 0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.098 5.122 2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.200 6.276 3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.000 7.001 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.389 7.977 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.051 7.015 0.692 1.00 0.00 H new ATOM 40 N LYS A 3 4.279 4.235 -3.878 1.00 0.00 N ATOM 41 CA LYS A 3 4.928 4.367 -5.202 1.00 0.00 C ATOM 42 C LYS A 3 6.177 5.244 -5.118 1.00 0.00 C ATOM 43 O LYS A 3 6.153 6.300 -4.490 1.00 0.00 O ATOM 44 CB LYS A 3 3.957 4.864 -6.298 1.00 0.00 C ATOM 45 CG LYS A 3 2.740 3.948 -6.533 1.00 0.00 C ATOM 46 CD LYS A 3 1.538 4.155 -5.596 1.00 0.00 C ATOM 47 CE LYS A 3 0.962 5.562 -5.766 1.00 0.00 C ATOM 48 NZ LYS A 3 0.273 6.051 -4.541 1.00 0.00 N ATOM 0 H LYS A 3 3.778 5.076 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 3 5.238 3.366 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.601 5.858 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.506 4.966 -7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.401 4.087 -7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.069 2.913 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.769 3.413 -5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.846 4.004 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.766 6.251 -6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.259 5.564 -6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.098 7.008 -4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.513 5.411 -4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.948 6.076 -3.750 1.00 0.00 H new ATOM 62 N VAL A 4 7.245 4.826 -5.788 1.00 0.00 N ATOM 63 CA VAL A 4 8.525 5.567 -5.873 1.00 0.00 C ATOM 64 C VAL A 4 8.863 5.860 -7.336 1.00 0.00 C ATOM 65 O VAL A 4 8.677 5.014 -8.207 1.00 0.00 O ATOM 66 CB VAL A 4 9.685 4.857 -5.135 1.00 0.00 C ATOM 67 CG1 VAL A 4 10.906 5.776 -4.991 1.00 0.00 C ATOM 68 CG2 VAL A 4 9.286 4.359 -3.739 1.00 0.00 C ATOM 0 H VAL A 4 7.259 3.945 -6.303 1.00 0.00 H new ATOM 0 HA VAL A 4 8.393 6.515 -5.352 1.00 0.00 H new ATOM 0 HB VAL A 4 9.937 3.996 -5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.701 5.245 -4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.257 6.073 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.628 6.664 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.139 3.870 -3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.971 5.204 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.464 3.649 -3.827 1.00 0.00 H new ATOM 78 N MET A 5 9.364 7.061 -7.614 1.00 0.00 N ATOM 79 CA MET A 5 9.706 7.516 -8.964 1.00 0.00 C ATOM 80 C MET A 5 11.116 8.101 -8.971 1.00 0.00 C ATOM 81 O MET A 5 11.462 8.908 -8.113 1.00 0.00 O ATOM 82 CB MET A 5 8.639 8.503 -9.465 1.00 0.00 C ATOM 83 CG MET A 5 9.029 9.252 -10.748 1.00 0.00 C ATOM 84 SD MET A 5 9.398 8.233 -12.203 1.00 0.00 S ATOM 85 CE MET A 5 8.022 8.693 -13.287 1.00 0.00 C ATOM 0 H MET A 5 9.548 7.761 -6.895 1.00 0.00 H new ATOM 0 HA MET A 5 9.710 6.676 -9.659 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.711 7.959 -9.643 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.436 9.231 -8.680 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.217 9.932 -11.005 1.00 0.00 H new ATOM 0 HG3 MET A 5 9.903 9.866 -10.532 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.237 8.369 -14.305 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.108 8.212 -12.939 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.892 9.775 -13.270 1.00 0.00 H new ATOM 95 N PHE A 6 11.921 7.701 -9.950 1.00 0.00 N ATOM 96 CA PHE A 6 13.331 8.089 -10.070 1.00 0.00 C ATOM 97 C PHE A 6 13.537 9.080 -11.228 1.00 0.00 C ATOM 98 O PHE A 6 13.000 8.873 -12.310 1.00 0.00 O ATOM 99 CB PHE A 6 14.182 6.817 -10.206 1.00 0.00 C ATOM 100 CG PHE A 6 13.913 5.771 -9.140 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.459 5.906 -7.851 1.00 0.00 C ATOM 102 CD2 PHE A 6 13.088 4.671 -9.430 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.136 4.990 -6.834 1.00 0.00 C ATOM 104 CE2 PHE A 6 12.752 3.761 -8.411 1.00 0.00 C ATOM 105 CZ PHE A 6 13.258 3.932 -7.109 1.00 0.00 C ATOM 0 H PHE A 6 11.609 7.085 -10.701 1.00 0.00 H new ATOM 0 HA PHE A 6 13.653 8.618 -9.173 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.001 6.375 -11.186 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.236 7.093 -10.170 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.134 6.722 -7.640 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.713 4.525 -10.432 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.561 5.101 -5.848 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.102 2.926 -8.629 1.00 0.00 H new ATOM 0 HZ PHE A 6 12.971 3.249 -6.323 1.00 0.00 H new ATOM 115 N VAL A 7 14.347 10.122 -11.022 1.00 0.00 N ATOM 116 CA VAL A 7 14.722 11.159 -12.008 1.00 0.00 C ATOM 117 C VAL A 7 16.227 11.101 -12.288 1.00 0.00 C ATOM 118 O VAL A 7 17.020 11.002 -11.358 1.00 0.00 O ATOM 119 CB VAL A 7 14.238 12.567 -11.542 1.00 0.00 C ATOM 120 CG1 VAL A 7 15.198 13.718 -11.866 1.00 0.00 C ATOM 121 CG2 VAL A 7 12.908 12.917 -12.214 1.00 0.00 C ATOM 0 H VAL A 7 14.787 10.280 -10.115 1.00 0.00 H new ATOM 0 HA VAL A 7 14.216 10.961 -12.953 1.00 0.00 H new ATOM 0 HB VAL A 7 14.161 12.479 -10.458 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.777 14.656 -11.504 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.157 13.540 -11.380 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.343 13.778 -12.945 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.580 13.902 -11.881 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.038 12.924 -13.296 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.157 12.174 -11.944 1.00 0.00 H new ATOM 131 N CYS A 8 16.635 11.178 -13.557 1.00 0.00 N ATOM 132 CA CYS A 8 18.030 11.358 -14.000 1.00 0.00 C ATOM 133 C CYS A 8 18.128 12.474 -15.059 1.00 0.00 C ATOM 134 O CYS A 8 17.107 12.998 -15.499 1.00 0.00 O ATOM 135 CB CYS A 8 18.576 10.013 -14.520 1.00 0.00 C ATOM 136 SG CYS A 8 20.059 9.595 -13.570 1.00 0.00 S ATOM 0 H CYS A 8 15.982 11.115 -14.338 1.00 0.00 H new ATOM 0 HA CYS A 8 18.645 11.673 -13.157 1.00 0.00 H new ATOM 0 HB2 CYS A 8 17.824 9.231 -14.413 1.00 0.00 H new ATOM 0 HB3 CYS A 8 18.813 10.084 -15.582 1.00 0.00 H new ATOM 0 HG CYS A 8 20.187 10.425 -12.578 1.00 0.00 H new ATOM 142 N LYS A 9 19.335 12.810 -15.535 1.00 0.00 N ATOM 143 CA LYS A 9 19.534 13.899 -16.525 1.00 0.00 C ATOM 144 C LYS A 9 18.974 13.552 -17.917 1.00 0.00 C ATOM 145 O LYS A 9 18.172 14.312 -18.435 1.00 0.00 O ATOM 146 CB LYS A 9 21.022 14.344 -16.515 1.00 0.00 C ATOM 147 CG LYS A 9 21.216 15.873 -16.506 1.00 0.00 C ATOM 148 CD LYS A 9 20.857 16.625 -17.802 1.00 0.00 C ATOM 149 CE LYS A 9 21.778 16.251 -18.976 1.00 0.00 C ATOM 150 NZ LYS A 9 21.623 17.198 -20.117 1.00 0.00 N ATOM 0 H LYS A 9 20.198 12.345 -15.254 1.00 0.00 H new ATOM 0 HA LYS A 9 18.941 14.764 -16.228 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.512 13.920 -15.638 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.521 13.929 -17.391 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.616 16.287 -15.695 1.00 0.00 H new ATOM 0 HG3 LYS A 9 22.259 16.082 -16.270 1.00 0.00 H new ATOM 0 HD2 LYS A 9 19.824 16.405 -18.071 1.00 0.00 H new ATOM 0 HD3 LYS A 9 20.919 17.699 -17.624 1.00 0.00 H new ATOM 0 HE2 LYS A 9 22.815 16.251 -18.640 1.00 0.00 H new ATOM 0 HE3 LYS A 9 21.551 15.238 -19.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 22.361 17.011 -20.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 20.686 17.070 -20.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 21.714 18.175 -19.772 1.00 0.00 H new ATOM 164 N ARG A 10 19.311 12.368 -18.465 1.00 0.00 N ATOM 165 CA ARG A 10 18.744 11.822 -19.742 1.00 0.00 C ATOM 166 C ARG A 10 18.054 10.446 -19.643 1.00 0.00 C ATOM 167 O ARG A 10 17.816 9.784 -20.646 1.00 0.00 O ATOM 168 CB ARG A 10 19.739 11.964 -20.922 1.00 0.00 C ATOM 169 CG ARG A 10 20.913 10.967 -21.025 1.00 0.00 C ATOM 170 CD ARG A 10 22.054 11.203 -20.017 1.00 0.00 C ATOM 171 NE ARG A 10 23.370 11.325 -20.687 1.00 0.00 N ATOM 172 CZ ARG A 10 24.196 10.360 -21.061 1.00 0.00 C ATOM 173 NH1 ARG A 10 23.940 9.095 -20.930 1.00 0.00 N ATOM 174 NH2 ARG A 10 25.348 10.622 -21.597 1.00 0.00 N ATOM 0 H ARG A 10 19.995 11.744 -18.036 1.00 0.00 H new ATOM 0 HA ARG A 10 17.896 12.468 -19.970 1.00 0.00 H new ATOM 0 HB2 ARG A 10 19.166 11.897 -21.847 1.00 0.00 H new ATOM 0 HB3 ARG A 10 20.161 12.968 -20.880 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.527 9.957 -20.885 1.00 0.00 H new ATOM 0 HG3 ARG A 10 21.323 11.014 -22.034 1.00 0.00 H new ATOM 0 HD2 ARG A 10 21.852 12.110 -19.447 1.00 0.00 H new ATOM 0 HD3 ARG A 10 22.085 10.379 -19.305 1.00 0.00 H new ATOM 0 HE ARG A 10 23.680 12.276 -20.886 1.00 0.00 H new ATOM 0 HH11 ARG A 10 23.057 8.793 -20.517 1.00 0.00 H new ATOM 0 HH12 ARG A 10 24.621 8.402 -21.240 1.00 0.00 H new ATOM 0 HH21 ARG A 10 25.636 11.590 -21.739 1.00 0.00 H new ATOM 0 HH22 ARG A 10 25.966 9.860 -21.876 1.00 0.00 H new ATOM 188 N ASN A 11 17.765 10.015 -18.410 1.00 0.00 N ATOM 189 CA ASN A 11 17.151 8.727 -18.012 1.00 0.00 C ATOM 190 C ASN A 11 17.767 7.467 -18.655 1.00 0.00 C ATOM 191 O ASN A 11 17.059 6.518 -18.989 1.00 0.00 O ATOM 192 CB ASN A 11 15.617 8.880 -18.115 1.00 0.00 C ATOM 193 CG ASN A 11 14.810 7.723 -17.541 1.00 0.00 C ATOM 194 OD1 ASN A 11 13.913 7.210 -18.182 1.00 0.00 O ATOM 195 ND2 ASN A 11 15.058 7.315 -16.314 1.00 0.00 N ATOM 0 H ASN A 11 17.967 10.596 -17.597 1.00 0.00 H new ATOM 0 HA ASN A 11 17.399 8.517 -16.972 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.324 9.796 -17.602 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.350 9.003 -19.165 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.498 6.569 -15.902 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.810 7.745 -15.776 1.00 0.00 H new ATOM 202 N SER A 12 19.098 7.442 -18.808 1.00 0.00 N ATOM 203 CA SER A 12 19.834 6.345 -19.463 1.00 0.00 C ATOM 204 C SER A 12 20.407 5.295 -18.506 1.00 0.00 C ATOM 205 O SER A 12 20.487 4.128 -18.869 1.00 0.00 O ATOM 206 CB SER A 12 20.932 6.966 -20.332 1.00 0.00 C ATOM 207 OG SER A 12 21.674 7.902 -19.558 1.00 0.00 O ATOM 0 H SER A 12 19.705 8.192 -18.477 1.00 0.00 H new ATOM 0 HA SER A 12 19.120 5.786 -20.068 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.593 6.188 -20.714 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.490 7.461 -21.197 1.00 0.00 H new ATOM 0 HG SER A 12 22.425 7.445 -19.124 1.00 0.00 H new ATOM 213 N CYS A 13 20.808 5.684 -17.294 1.00 0.00 N ATOM 214 CA CYS A 13 21.443 4.818 -16.282 1.00 0.00 C ATOM 215 C CYS A 13 20.862 5.138 -14.890 1.00 0.00 C ATOM 216 O CYS A 13 19.739 5.624 -14.831 1.00 0.00 O ATOM 217 CB CYS A 13 22.968 5.012 -16.430 1.00 0.00 C ATOM 218 SG CYS A 13 23.893 3.708 -15.555 1.00 0.00 S ATOM 0 H CYS A 13 20.698 6.646 -16.972 1.00 0.00 H new ATOM 0 HA CYS A 13 21.235 3.757 -16.422 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.236 5.004 -17.486 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.252 5.988 -16.036 1.00 0.00 H new ATOM 0 HG CYS A 13 25.169 3.906 -15.706 1.00 0.00 H new ATOM 224 N ARG A 14 21.575 4.859 -13.783 1.00 0.00 N ATOM 225 CA ARG A 14 21.256 5.236 -12.370 1.00 0.00 C ATOM 226 C ARG A 14 19.798 4.998 -11.973 1.00 0.00 C ATOM 227 O ARG A 14 19.455 3.911 -11.539 1.00 0.00 O ATOM 228 CB ARG A 14 21.794 6.666 -12.069 1.00 0.00 C ATOM 229 CG ARG A 14 23.331 6.696 -11.966 1.00 0.00 C ATOM 230 CD ARG A 14 24.008 7.849 -12.721 1.00 0.00 C ATOM 231 NE ARG A 14 23.693 9.191 -12.176 1.00 0.00 N ATOM 232 CZ ARG A 14 24.496 10.245 -12.199 1.00 0.00 C ATOM 233 NH1 ARG A 14 25.765 10.166 -12.450 1.00 0.00 N ATOM 234 NH2 ARG A 14 24.029 11.427 -11.949 1.00 0.00 N ATOM 0 H ARG A 14 22.446 4.332 -13.842 1.00 0.00 H new ATOM 0 HA ARG A 14 21.786 4.549 -11.710 1.00 0.00 H new ATOM 0 HB2 ARG A 14 21.470 7.348 -12.855 1.00 0.00 H new ATOM 0 HB3 ARG A 14 21.361 7.027 -11.136 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.609 6.758 -10.914 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.724 5.753 -12.345 1.00 0.00 H new ATOM 0 HD2 ARG A 14 25.088 7.702 -12.696 1.00 0.00 H new ATOM 0 HD3 ARG A 14 23.705 7.812 -13.767 1.00 0.00 H new ATOM 0 HE ARG A 14 22.777 9.314 -11.745 1.00 0.00 H new ATOM 0 HH11 ARG A 14 26.191 9.260 -12.643 1.00 0.00 H new ATOM 0 HH12 ARG A 14 26.337 11.010 -12.455 1.00 0.00 H new ATOM 0 HH21 ARG A 14 23.040 11.549 -11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.651 12.235 -11.968 1.00 0.00 H new ATOM 248 N SER A 15 18.916 5.957 -12.227 1.00 0.00 N ATOM 249 CA SER A 15 17.456 5.889 -12.040 1.00 0.00 C ATOM 250 C SER A 15 16.805 4.666 -12.694 1.00 0.00 C ATOM 251 O SER A 15 15.866 4.099 -12.144 1.00 0.00 O ATOM 252 CB SER A 15 16.873 7.189 -12.611 1.00 0.00 C ATOM 253 OG SER A 15 17.713 8.244 -12.178 1.00 0.00 O ATOM 0 H SER A 15 19.211 6.863 -12.592 1.00 0.00 H new ATOM 0 HA SER A 15 17.242 5.780 -10.977 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.834 7.149 -13.700 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.852 7.340 -12.261 1.00 0.00 H new ATOM 0 HG SER A 15 18.478 8.323 -12.785 1.00 0.00 H new ATOM 259 N GLN A 16 17.325 4.211 -13.833 1.00 0.00 N ATOM 260 CA GLN A 16 16.858 2.984 -14.505 1.00 0.00 C ATOM 261 C GLN A 16 17.244 1.713 -13.718 1.00 0.00 C ATOM 262 O GLN A 16 16.428 0.801 -13.581 1.00 0.00 O ATOM 263 CB GLN A 16 17.447 2.962 -15.929 1.00 0.00 C ATOM 264 CG GLN A 16 16.901 4.053 -16.871 1.00 0.00 C ATOM 265 CD GLN A 16 15.473 3.825 -17.387 1.00 0.00 C ATOM 266 OE1 GLN A 16 14.654 3.102 -16.840 1.00 0.00 O ATOM 267 NE2 GLN A 16 15.124 4.461 -18.482 1.00 0.00 N ATOM 0 H GLN A 16 18.086 4.680 -14.324 1.00 0.00 H new ATOM 0 HA GLN A 16 15.769 2.990 -14.553 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.530 3.069 -15.861 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.250 1.986 -16.373 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.932 5.009 -16.348 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.569 4.137 -17.728 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.793 5.069 -18.954 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.184 4.347 -18.861 1.00 0.00 H new ATOM 276 N MET A 17 18.448 1.681 -13.115 1.00 0.00 N ATOM 277 CA MET A 17 18.875 0.619 -12.176 1.00 0.00 C ATOM 278 C MET A 17 18.087 0.672 -10.860 1.00 0.00 C ATOM 279 O MET A 17 17.817 -0.365 -10.270 1.00 0.00 O ATOM 280 CB MET A 17 20.376 0.732 -11.838 1.00 0.00 C ATOM 281 CG MET A 17 21.354 0.489 -12.990 1.00 0.00 C ATOM 282 SD MET A 17 23.064 0.622 -12.400 1.00 0.00 S ATOM 283 CE MET A 17 23.938 -0.056 -13.829 1.00 0.00 C ATOM 0 H MET A 17 19.159 2.396 -13.265 1.00 0.00 H new ATOM 0 HA MET A 17 18.679 -0.326 -12.683 1.00 0.00 H new ATOM 0 HB2 MET A 17 20.562 1.728 -11.437 1.00 0.00 H new ATOM 0 HB3 MET A 17 20.601 0.021 -11.043 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.185 -0.499 -13.417 1.00 0.00 H new ATOM 0 HG3 MET A 17 21.178 1.214 -13.785 1.00 0.00 H new ATOM 0 HE1 MET A 17 25.011 -0.049 -13.636 1.00 0.00 H new ATOM 0 HE2 MET A 17 23.608 -1.080 -14.005 1.00 0.00 H new ATOM 0 HE3 MET A 17 23.723 0.551 -14.708 1.00 0.00 H new ATOM 293 N ALA A 18 17.679 1.863 -10.412 1.00 0.00 N ATOM 294 CA ALA A 18 16.893 2.037 -9.185 1.00 0.00 C ATOM 295 C ALA A 18 15.520 1.363 -9.302 1.00 0.00 C ATOM 296 O ALA A 18 15.104 0.652 -8.390 1.00 0.00 O ATOM 297 CB ALA A 18 16.800 3.536 -8.871 1.00 0.00 C ATOM 0 H ALA A 18 17.885 2.739 -10.892 1.00 0.00 H new ATOM 0 HA ALA A 18 17.389 1.542 -8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.218 3.682 -7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.802 3.941 -8.730 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.314 4.052 -9.699 1.00 0.00 H new ATOM 303 N GLU A 19 14.878 1.471 -10.469 1.00 0.00 N ATOM 304 CA GLU A 19 13.675 0.692 -10.787 1.00 0.00 C ATOM 305 C GLU A 19 13.986 -0.813 -10.807 1.00 0.00 C ATOM 306 O GLU A 19 13.229 -1.586 -10.232 1.00 0.00 O ATOM 307 CB GLU A 19 13.090 1.185 -12.119 1.00 0.00 C ATOM 308 CG GLU A 19 11.686 0.624 -12.386 1.00 0.00 C ATOM 309 CD GLU A 19 11.282 0.844 -13.854 1.00 0.00 C ATOM 310 OE1 GLU A 19 10.731 1.922 -14.183 1.00 0.00 O ATOM 311 OE2 GLU A 19 11.531 -0.067 -14.680 1.00 0.00 O ATOM 0 H GLU A 19 15.175 2.097 -11.217 1.00 0.00 H new ATOM 0 HA GLU A 19 12.925 0.841 -10.010 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.048 2.274 -12.113 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.754 0.896 -12.933 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.664 -0.441 -12.153 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.964 1.109 -11.729 1.00 0.00 H new ATOM 318 N GLY A 20 15.132 -1.221 -11.364 1.00 0.00 N ATOM 319 CA GLY A 20 15.617 -2.615 -11.367 1.00 0.00 C ATOM 320 C GLY A 20 15.776 -3.235 -9.978 1.00 0.00 C ATOM 321 O GLY A 20 15.278 -4.329 -9.725 1.00 0.00 O ATOM 0 H GLY A 20 15.767 -0.579 -11.838 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.925 -3.226 -11.946 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.579 -2.651 -11.879 1.00 0.00 H new ATOM 325 N PHE A 21 16.411 -2.541 -9.035 1.00 0.00 N ATOM 326 CA PHE A 21 16.516 -3.040 -7.659 1.00 0.00 C ATOM 327 C PHE A 21 15.184 -2.977 -6.926 1.00 0.00 C ATOM 328 O PHE A 21 14.780 -3.959 -6.314 1.00 0.00 O ATOM 329 CB PHE A 21 17.639 -2.308 -6.914 1.00 0.00 C ATOM 330 CG PHE A 21 18.998 -2.765 -7.391 1.00 0.00 C ATOM 331 CD1 PHE A 21 19.384 -4.104 -7.193 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.851 -1.880 -8.072 1.00 0.00 C ATOM 333 CE1 PHE A 21 20.619 -4.560 -7.673 1.00 0.00 C ATOM 334 CE2 PHE A 21 21.089 -2.338 -8.552 1.00 0.00 C ATOM 335 CZ PHE A 21 21.470 -3.679 -8.354 1.00 0.00 C ATOM 0 H PHE A 21 16.858 -1.638 -9.193 1.00 0.00 H new ATOM 0 HA PHE A 21 16.780 -4.097 -7.696 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.540 -1.233 -7.066 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.547 -2.489 -5.843 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.726 -4.782 -6.670 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.556 -0.852 -8.226 1.00 0.00 H new ATOM 0 HE1 PHE A 21 20.914 -5.587 -7.519 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.749 -1.661 -9.073 1.00 0.00 H new ATOM 0 HZ PHE A 21 22.421 -4.030 -8.728 1.00 0.00 H new ATOM 345 N ALA A 22 14.448 -1.873 -7.038 1.00 0.00 N ATOM 346 CA ALA A 22 13.178 -1.714 -6.334 1.00 0.00 C ATOM 347 C ALA A 22 12.102 -2.711 -6.806 1.00 0.00 C ATOM 348 O ALA A 22 11.440 -3.303 -5.960 1.00 0.00 O ATOM 349 CB ALA A 22 12.756 -0.250 -6.460 1.00 0.00 C ATOM 0 H ALA A 22 14.711 -1.072 -7.612 1.00 0.00 H new ATOM 0 HA ALA A 22 13.305 -1.958 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.808 -0.099 -5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.519 0.388 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.640 0.006 -7.513 1.00 0.00 H new ATOM 355 N LYS A 23 11.984 -3.004 -8.112 1.00 0.00 N ATOM 356 CA LYS A 23 10.992 -3.982 -8.633 1.00 0.00 C ATOM 357 C LYS A 23 11.230 -5.412 -8.133 1.00 0.00 C ATOM 358 O LYS A 23 10.296 -6.199 -8.026 1.00 0.00 O ATOM 359 CB LYS A 23 10.924 -3.922 -10.174 1.00 0.00 C ATOM 360 CG LYS A 23 12.144 -4.515 -10.906 1.00 0.00 C ATOM 361 CD LYS A 23 12.179 -4.218 -12.417 1.00 0.00 C ATOM 362 CE LYS A 23 11.266 -5.123 -13.264 1.00 0.00 C ATOM 363 NZ LYS A 23 11.895 -6.447 -13.561 1.00 0.00 N ATOM 0 H LYS A 23 12.563 -2.579 -8.836 1.00 0.00 H new ATOM 0 HA LYS A 23 10.022 -3.688 -8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.030 -4.451 -10.504 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.809 -2.881 -10.477 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.053 -4.124 -10.449 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.152 -5.595 -10.759 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.891 -3.179 -12.578 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.204 -4.323 -12.772 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.325 -5.281 -12.737 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.027 -4.619 -14.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.206 -7.058 -14.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.724 -6.308 -14.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.193 -6.897 -12.672 1.00 0.00 H new ATOM 377 N THR A 24 12.488 -5.714 -7.817 1.00 0.00 N ATOM 378 CA THR A 24 12.957 -7.019 -7.305 1.00 0.00 C ATOM 379 C THR A 24 12.896 -7.105 -5.774 1.00 0.00 C ATOM 380 O THR A 24 12.334 -8.052 -5.227 1.00 0.00 O ATOM 381 CB THR A 24 14.392 -7.290 -7.784 1.00 0.00 C ATOM 382 OG1 THR A 24 14.490 -7.081 -9.174 1.00 0.00 O ATOM 383 CG2 THR A 24 14.828 -8.730 -7.527 1.00 0.00 C ATOM 0 H THR A 24 13.245 -5.037 -7.911 1.00 0.00 H new ATOM 0 HA THR A 24 12.283 -7.779 -7.702 1.00 0.00 H new ATOM 0 HB THR A 24 15.031 -6.607 -7.225 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.753 -6.153 -9.348 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.849 -8.870 -7.883 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.785 -8.938 -6.458 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.162 -9.412 -8.056 1.00 0.00 H new ATOM 391 N LEU A 25 13.461 -6.116 -5.068 1.00 0.00 N ATOM 392 CA LEU A 25 13.648 -6.123 -3.602 1.00 0.00 C ATOM 393 C LEU A 25 12.398 -5.628 -2.856 1.00 0.00 C ATOM 394 O LEU A 25 12.119 -6.065 -1.742 1.00 0.00 O ATOM 395 CB LEU A 25 14.906 -5.289 -3.250 1.00 0.00 C ATOM 396 CG LEU A 25 16.190 -5.765 -3.963 1.00 0.00 C ATOM 397 CD1 LEU A 25 17.337 -4.832 -3.600 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.590 -7.189 -3.578 1.00 0.00 C ATOM 0 H LEU A 25 13.811 -5.265 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 25 13.800 -7.150 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.723 -4.246 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.065 -5.326 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 25 15.984 -5.753 -5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.247 -5.163 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.096 -3.818 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.490 -4.847 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.499 -7.468 -4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.769 -7.239 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.788 -7.877 -3.845 1.00 0.00 H new ATOM 410 N GLY A 26 11.619 -4.747 -3.498 1.00 0.00 N ATOM 411 CA GLY A 26 10.315 -4.253 -3.053 1.00 0.00 C ATOM 412 C GLY A 26 9.121 -4.936 -3.725 1.00 0.00 C ATOM 413 O GLY A 26 8.011 -4.415 -3.633 1.00 0.00 O ATOM 0 H GLY A 26 11.900 -4.340 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.237 -4.389 -1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.261 -3.181 -3.244 1.00 0.00 H new ATOM 417 N ALA A 27 9.323 -6.061 -4.416 1.00 0.00 N ATOM 418 CA ALA A 27 8.305 -6.742 -5.229 1.00 0.00 C ATOM 419 C ALA A 27 6.960 -6.938 -4.494 1.00 0.00 C ATOM 420 O ALA A 27 6.859 -7.721 -3.548 1.00 0.00 O ATOM 421 CB ALA A 27 8.872 -8.097 -5.681 1.00 0.00 C ATOM 0 H ALA A 27 10.224 -6.539 -4.427 1.00 0.00 H new ATOM 0 HA ALA A 27 8.082 -6.106 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.130 -8.618 -6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.774 -7.935 -6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.115 -8.700 -4.806 1.00 0.00 H new ATOM 427 N GLY A 28 5.918 -6.215 -4.923 1.00 0.00 N ATOM 428 CA GLY A 28 4.547 -6.321 -4.402 1.00 0.00 C ATOM 429 C GLY A 28 4.278 -5.510 -3.129 1.00 0.00 C ATOM 430 O GLY A 28 3.118 -5.216 -2.835 1.00 0.00 O ATOM 0 H GLY A 28 6.007 -5.519 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.853 -5.995 -5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.330 -7.370 -4.200 1.00 0.00 H new ATOM 434 N LYS A 29 5.330 -5.086 -2.411 1.00 0.00 N ATOM 435 CA LYS A 29 5.237 -4.119 -1.300 1.00 0.00 C ATOM 436 C LYS A 29 5.353 -2.675 -1.764 1.00 0.00 C ATOM 437 O LYS A 29 4.807 -1.793 -1.111 1.00 0.00 O ATOM 438 CB LYS A 29 6.195 -4.455 -0.144 1.00 0.00 C ATOM 439 CG LYS A 29 7.655 -4.724 -0.544 1.00 0.00 C ATOM 440 CD LYS A 29 8.518 -5.333 0.576 1.00 0.00 C ATOM 441 CE LYS A 29 8.722 -4.388 1.772 1.00 0.00 C ATOM 442 NZ LYS A 29 9.522 -5.030 2.859 1.00 0.00 N ATOM 0 H LYS A 29 6.282 -5.408 -2.586 1.00 0.00 H new ATOM 0 HA LYS A 29 4.230 -4.219 -0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.179 -3.630 0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.813 -5.333 0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.666 -5.397 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.109 -3.787 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.050 -6.253 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.491 -5.605 0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.226 -3.482 1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.752 -4.086 2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.637 -4.361 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.029 -5.881 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.458 -5.296 2.491 1.00 0.00 H new ATOM 456 N ILE A 30 6.005 -2.425 -2.898 1.00 0.00 N ATOM 457 CA ILE A 30 6.003 -1.118 -3.569 1.00 0.00 C ATOM 458 C ILE A 30 5.755 -1.245 -5.085 1.00 0.00 C ATOM 459 O ILE A 30 5.759 -2.346 -5.632 1.00 0.00 O ATOM 460 CB ILE A 30 7.277 -0.296 -3.230 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.634 -0.942 -3.569 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.343 0.005 -1.727 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.837 -1.384 -5.016 1.00 0.00 C ATOM 0 H ILE A 30 6.557 -3.130 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 30 5.159 -0.552 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 30 7.156 0.583 -3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.422 -0.233 -3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.768 -1.811 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.242 0.581 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.465 0.579 -1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.369 -0.931 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.829 -1.822 -5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.082 -2.124 -5.280 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.746 -0.521 -5.676 1.00 0.00 H new ATOM 475 N ALA A 31 5.541 -0.113 -5.762 1.00 0.00 N ATOM 476 CA ALA A 31 5.519 -0.015 -7.228 1.00 0.00 C ATOM 477 C ALA A 31 6.441 1.130 -7.681 1.00 0.00 C ATOM 478 O ALA A 31 6.600 2.117 -6.961 1.00 0.00 O ATOM 479 CB ALA A 31 4.076 0.123 -7.726 1.00 0.00 C ATOM 0 H ALA A 31 5.375 0.780 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 31 5.908 -0.928 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.072 0.195 -8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.500 -0.749 -7.418 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.629 1.022 -7.301 1.00 0.00 H new ATOM 485 N VAL A 32 7.096 0.998 -8.840 1.00 0.00 N ATOM 486 CA VAL A 32 8.162 1.904 -9.268 1.00 0.00 C ATOM 487 C VAL A 32 8.154 2.274 -10.750 1.00 0.00 C ATOM 488 O VAL A 32 7.774 1.475 -11.609 1.00 0.00 O ATOM 489 CB VAL A 32 9.529 1.312 -8.902 1.00 0.00 C ATOM 490 CG1 VAL A 32 9.891 1.760 -7.491 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.656 -0.213 -9.025 1.00 0.00 C ATOM 0 H VAL A 32 6.898 0.254 -9.510 1.00 0.00 H new ATOM 0 HA VAL A 32 7.970 2.834 -8.733 1.00 0.00 H new ATOM 0 HB VAL A 32 10.228 1.696 -9.645 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.861 1.347 -7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.937 2.848 -7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.134 1.406 -6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.663 -0.518 -8.741 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.932 -0.693 -8.366 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.463 -0.512 -10.055 1.00 0.00 H new ATOM 501 N THR A 33 8.654 3.484 -11.019 1.00 0.00 N ATOM 502 CA THR A 33 8.764 4.093 -12.356 1.00 0.00 C ATOM 503 C THR A 33 10.090 4.859 -12.477 1.00 0.00 C ATOM 504 O THR A 33 10.580 5.405 -11.486 1.00 0.00 O ATOM 505 CB THR A 33 7.572 5.043 -12.610 1.00 0.00 C ATOM 506 OG1 THR A 33 6.349 4.424 -12.247 1.00 0.00 O ATOM 507 CG2 THR A 33 7.419 5.441 -14.081 1.00 0.00 C ATOM 0 H THR A 33 9.009 4.095 -10.283 1.00 0.00 H new ATOM 0 HA THR A 33 8.745 3.302 -13.106 1.00 0.00 H new ATOM 0 HB THR A 33 7.785 5.926 -12.007 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.607 5.042 -12.414 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.564 6.108 -14.190 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.322 5.951 -14.416 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.261 4.548 -14.685 1.00 0.00 H new ATOM 515 N SER A 34 10.684 4.927 -13.672 1.00 0.00 N ATOM 516 CA SER A 34 11.878 5.729 -13.968 1.00 0.00 C ATOM 517 C SER A 34 11.622 6.806 -15.032 1.00 0.00 C ATOM 518 O SER A 34 10.906 6.568 -16.006 1.00 0.00 O ATOM 519 CB SER A 34 13.007 4.814 -14.431 1.00 0.00 C ATOM 520 OG SER A 34 14.223 5.508 -14.234 1.00 0.00 O ATOM 0 H SER A 34 10.340 4.413 -14.483 1.00 0.00 H new ATOM 0 HA SER A 34 12.155 6.244 -13.048 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.001 3.882 -13.866 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.881 4.551 -15.481 1.00 0.00 H new ATOM 0 HG SER A 34 14.954 5.017 -14.664 1.00 0.00 H new ATOM 526 N CYS A 35 12.229 7.985 -14.857 1.00 0.00 N ATOM 527 CA CYS A 35 12.151 9.122 -15.775 1.00 0.00 C ATOM 528 C CYS A 35 13.385 10.040 -15.681 1.00 0.00 C ATOM 529 O CYS A 35 14.347 9.759 -14.964 1.00 0.00 O ATOM 530 CB CYS A 35 10.848 9.879 -15.492 1.00 0.00 C ATOM 531 SG CYS A 35 10.931 10.828 -13.957 1.00 0.00 S ATOM 0 H CYS A 35 12.809 8.179 -14.041 1.00 0.00 H new ATOM 0 HA CYS A 35 12.146 8.755 -16.801 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.633 10.552 -16.322 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.023 9.170 -15.435 1.00 0.00 H new ATOM 0 HG CYS A 35 10.429 10.126 -12.985 1.00 0.00 H new ATOM 537 N GLY A 36 13.408 11.140 -16.427 1.00 0.00 N ATOM 538 CA GLY A 36 14.429 12.184 -16.284 1.00 0.00 C ATOM 539 C GLY A 36 13.947 13.543 -16.754 1.00 0.00 C ATOM 540 O GLY A 36 12.931 13.623 -17.430 1.00 0.00 O ATOM 0 H GLY A 36 12.718 11.337 -17.152 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.730 12.251 -15.238 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.315 11.901 -16.853 1.00 0.00 H new ATOM 544 N LEU A 37 14.669 14.623 -16.441 1.00 0.00 N ATOM 545 CA LEU A 37 14.305 15.950 -16.979 1.00 0.00 C ATOM 546 C LEU A 37 14.458 16.035 -18.512 1.00 0.00 C ATOM 547 O LEU A 37 13.864 16.899 -19.156 1.00 0.00 O ATOM 548 CB LEU A 37 14.969 17.117 -16.232 1.00 0.00 C ATOM 549 CG LEU A 37 16.504 17.071 -16.136 1.00 0.00 C ATOM 550 CD1 LEU A 37 17.096 18.480 -16.116 1.00 0.00 C ATOM 551 CD2 LEU A 37 16.917 16.389 -14.830 1.00 0.00 C ATOM 0 H LEU A 37 15.489 14.615 -15.835 1.00 0.00 H new ATOM 0 HA LEU A 37 13.239 16.065 -16.783 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.683 18.047 -16.724 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.563 17.153 -15.221 1.00 0.00 H new ATOM 0 HG LEU A 37 16.872 16.525 -17.005 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.182 18.417 -16.048 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.820 19.004 -17.031 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.709 19.025 -15.255 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.005 16.357 -14.764 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.518 16.950 -13.985 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.523 15.373 -14.810 1.00 0.00 H new ATOM 563 N GLU A 38 15.200 15.086 -19.084 1.00 0.00 N ATOM 564 CA GLU A 38 15.321 14.813 -20.522 1.00 0.00 C ATOM 565 C GLU A 38 15.309 13.286 -20.751 1.00 0.00 C ATOM 566 O GLU A 38 15.428 12.500 -19.804 1.00 0.00 O ATOM 567 CB GLU A 38 16.589 15.451 -21.129 1.00 0.00 C ATOM 568 CG GLU A 38 16.723 16.958 -20.879 1.00 0.00 C ATOM 569 CD GLU A 38 17.929 17.532 -21.642 1.00 0.00 C ATOM 570 OE1 GLU A 38 19.069 17.460 -21.120 1.00 0.00 O ATOM 571 OE2 GLU A 38 17.747 18.063 -22.766 1.00 0.00 O ATOM 0 H GLU A 38 15.767 14.448 -18.526 1.00 0.00 H new ATOM 0 HA GLU A 38 14.470 15.266 -21.031 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.465 14.948 -20.720 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.592 15.272 -22.204 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.812 17.466 -21.194 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.839 17.145 -19.812 1.00 0.00 H new ATOM 578 N SER A 39 15.189 12.856 -22.010 1.00 0.00 N ATOM 579 CA SER A 39 15.177 11.444 -22.421 1.00 0.00 C ATOM 580 C SER A 39 16.145 11.184 -23.584 1.00 0.00 C ATOM 581 O SER A 39 16.357 12.063 -24.425 1.00 0.00 O ATOM 582 CB SER A 39 13.754 11.049 -22.814 1.00 0.00 C ATOM 583 OG SER A 39 13.703 9.656 -23.055 1.00 0.00 O ATOM 0 H SER A 39 15.095 13.498 -22.797 1.00 0.00 H new ATOM 0 HA SER A 39 15.511 10.836 -21.581 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.058 11.318 -22.020 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.446 11.595 -23.706 1.00 0.00 H new ATOM 0 HG SER A 39 12.791 9.401 -23.306 1.00 0.00 H new ATOM 589 N SER A 40 16.721 9.979 -23.648 1.00 0.00 N ATOM 590 CA SER A 40 17.558 9.525 -24.771 1.00 0.00 C ATOM 591 C SER A 40 17.293 8.049 -25.118 1.00 0.00 C ATOM 592 O SER A 40 16.525 7.762 -26.044 1.00 0.00 O ATOM 593 CB SER A 40 19.034 9.831 -24.484 1.00 0.00 C ATOM 594 OG SER A 40 19.853 9.354 -25.541 1.00 0.00 O ATOM 0 H SER A 40 16.619 9.280 -22.913 1.00 0.00 H new ATOM 0 HA SER A 40 17.284 10.083 -25.667 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.173 10.906 -24.365 1.00 0.00 H new ATOM 0 HB3 SER A 40 19.333 9.365 -23.545 1.00 0.00 H new ATOM 0 HG SER A 40 20.791 9.558 -25.345 1.00 0.00 H new ATOM 600 N ARG A 41 17.903 7.120 -24.367 1.00 0.00 N ATOM 601 CA ARG A 41 17.669 5.658 -24.389 1.00 0.00 C ATOM 602 C ARG A 41 18.276 5.015 -23.138 1.00 0.00 C ATOM 603 O ARG A 41 19.145 5.625 -22.520 1.00 0.00 O ATOM 604 CB ARG A 41 18.241 5.035 -25.690 1.00 0.00 C ATOM 605 CG ARG A 41 19.592 5.566 -26.218 1.00 0.00 C ATOM 606 CD ARG A 41 20.765 5.507 -25.227 1.00 0.00 C ATOM 607 NE ARG A 41 22.050 5.810 -25.889 1.00 0.00 N ATOM 608 CZ ARG A 41 22.838 4.974 -26.546 1.00 0.00 C ATOM 609 NH1 ARG A 41 22.536 3.715 -26.716 1.00 0.00 N ATOM 610 NH2 ARG A 41 23.960 5.394 -27.055 1.00 0.00 N ATOM 0 H ARG A 41 18.616 7.379 -23.686 1.00 0.00 H new ATOM 0 HA ARG A 41 16.596 5.465 -24.381 1.00 0.00 H new ATOM 0 HB2 ARG A 41 18.345 3.962 -25.528 1.00 0.00 H new ATOM 0 HB3 ARG A 41 17.499 5.168 -26.478 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.863 4.996 -27.107 1.00 0.00 H new ATOM 0 HG3 ARG A 41 19.457 6.601 -26.531 1.00 0.00 H new ATOM 0 HD2 ARG A 41 20.595 6.218 -24.418 1.00 0.00 H new ATOM 0 HD3 ARG A 41 20.812 4.516 -24.776 1.00 0.00 H new ATOM 0 HE ARG A 41 22.368 6.778 -25.833 1.00 0.00 H new ATOM 0 HH11 ARG A 41 21.665 3.344 -26.336 1.00 0.00 H new ATOM 0 HH12 ARG A 41 23.171 3.103 -27.229 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.235 6.371 -26.948 1.00 0.00 H new ATOM 0 HH22 ARG A 41 24.565 4.747 -27.561 1.00 0.00 H new ATOM 624 N VAL A 42 17.889 3.789 -22.760 1.00 0.00 N ATOM 625 CA VAL A 42 18.639 3.061 -21.699 1.00 0.00 C ATOM 626 C VAL A 42 20.051 2.766 -22.217 1.00 0.00 C ATOM 627 O VAL A 42 20.220 2.353 -23.365 1.00 0.00 O ATOM 628 CB VAL A 42 17.986 1.748 -21.210 1.00 0.00 C ATOM 629 CG1 VAL A 42 18.713 1.204 -19.968 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.543 1.939 -20.777 1.00 0.00 C ATOM 0 H VAL A 42 17.092 3.286 -23.150 1.00 0.00 H new ATOM 0 HA VAL A 42 18.645 3.717 -20.828 1.00 0.00 H new ATOM 0 HB VAL A 42 18.046 1.068 -22.059 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.235 0.280 -19.643 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.756 1.006 -20.215 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.663 1.940 -19.166 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.134 0.985 -20.443 1.00 0.00 H new ATOM 0 HG22 VAL A 42 16.501 2.658 -19.959 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.957 2.311 -21.618 1.00 0.00 H new ATOM 640 N HIS A 43 21.072 2.959 -21.380 1.00 0.00 N ATOM 641 CA HIS A 43 22.447 2.574 -21.706 1.00 0.00 C ATOM 642 C HIS A 43 22.521 1.045 -21.733 1.00 0.00 C ATOM 643 O HIS A 43 22.157 0.415 -20.739 1.00 0.00 O ATOM 644 CB HIS A 43 23.400 3.191 -20.676 1.00 0.00 C ATOM 645 CG HIS A 43 24.812 3.280 -21.176 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.719 2.224 -21.266 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.401 4.419 -21.635 1.00 0.00 C ATOM 648 CE1 HIS A 43 26.855 2.765 -21.752 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.684 4.077 -21.991 1.00 0.00 N ATOM 0 H HIS A 43 20.970 3.386 -20.459 1.00 0.00 H new ATOM 0 HA HIS A 43 22.747 2.946 -22.685 1.00 0.00 H new ATOM 0 HB2 HIS A 43 23.048 4.189 -20.413 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.379 2.595 -19.764 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.949 5.398 -21.705 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.772 2.221 -21.925 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.387 4.711 -22.372 1.00 0.00 H new ATOM 657 N PRO A 44 22.972 0.405 -22.823 1.00 0.00 N ATOM 658 CA PRO A 44 22.834 -1.043 -22.951 1.00 0.00 C ATOM 659 C PRO A 44 23.710 -1.802 -21.937 1.00 0.00 C ATOM 660 O PRO A 44 23.359 -2.905 -21.515 1.00 0.00 O ATOM 661 CB PRO A 44 23.204 -1.335 -24.407 1.00 0.00 C ATOM 662 CG PRO A 44 24.199 -0.227 -24.755 1.00 0.00 C ATOM 663 CD PRO A 44 23.637 0.970 -23.990 1.00 0.00 C ATOM 0 HA PRO A 44 21.825 -1.386 -22.722 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.650 -2.323 -24.517 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.329 -1.306 -25.056 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.211 -0.475 -24.435 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.240 -0.040 -25.828 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.431 1.656 -23.696 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.938 1.536 -24.605 1.00 0.00 H new ATOM 671 N THR A 45 24.796 -1.181 -21.460 1.00 0.00 N ATOM 672 CA THR A 45 25.638 -1.739 -20.390 1.00 0.00 C ATOM 673 C THR A 45 24.936 -1.717 -19.033 1.00 0.00 C ATOM 674 O THR A 45 25.138 -2.630 -18.240 1.00 0.00 O ATOM 675 CB THR A 45 26.998 -1.027 -20.329 1.00 0.00 C ATOM 676 OG1 THR A 45 27.607 -1.079 -21.606 1.00 0.00 O ATOM 677 CG2 THR A 45 27.950 -1.704 -19.342 1.00 0.00 C ATOM 0 H THR A 45 25.117 -0.276 -21.804 1.00 0.00 H new ATOM 0 HA THR A 45 25.817 -2.786 -20.635 1.00 0.00 H new ATOM 0 HB THR A 45 26.816 -0.002 -20.007 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.475 -0.625 -21.573 1.00 0.00 H new ATOM 0 HG21 THR A 45 28.900 -1.170 -19.329 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.511 -1.689 -18.344 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.118 -2.736 -19.649 1.00 0.00 H new ATOM 685 N ALA A 46 24.025 -0.770 -18.770 1.00 0.00 N ATOM 686 CA ALA A 46 23.228 -0.769 -17.536 1.00 0.00 C ATOM 687 C ALA A 46 22.383 -2.048 -17.410 1.00 0.00 C ATOM 688 O ALA A 46 22.406 -2.713 -16.379 1.00 0.00 O ATOM 689 CB ALA A 46 22.341 0.482 -17.519 1.00 0.00 C ATOM 0 H ALA A 46 23.821 0.008 -19.398 1.00 0.00 H new ATOM 0 HA ALA A 46 23.900 -0.750 -16.678 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.745 0.493 -16.607 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.968 1.373 -17.553 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.679 0.471 -18.385 1.00 0.00 H new ATOM 695 N ILE A 47 21.720 -2.450 -18.499 1.00 0.00 N ATOM 696 CA ILE A 47 20.961 -3.710 -18.583 1.00 0.00 C ATOM 697 C ILE A 47 21.874 -4.918 -18.339 1.00 0.00 C ATOM 698 O ILE A 47 21.514 -5.798 -17.559 1.00 0.00 O ATOM 699 CB ILE A 47 20.254 -3.788 -19.954 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.143 -2.714 -20.072 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.651 -5.177 -20.213 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.181 -1.986 -21.417 1.00 0.00 C ATOM 0 H ILE A 47 21.693 -1.905 -19.361 1.00 0.00 H new ATOM 0 HA ILE A 47 20.201 -3.730 -17.801 1.00 0.00 H new ATOM 0 HB ILE A 47 21.018 -3.600 -20.708 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.169 -3.186 -19.944 1.00 0.00 H new ATOM 0 HG13 ILE A 47 19.254 -1.989 -19.266 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.164 -5.186 -21.188 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.442 -5.926 -20.196 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.918 -5.406 -19.439 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.384 -1.244 -21.452 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.144 -1.490 -21.535 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.042 -2.705 -22.224 1.00 0.00 H new ATOM 714 N ALA A 48 23.081 -4.935 -18.918 1.00 0.00 N ATOM 715 CA ALA A 48 24.038 -6.024 -18.706 1.00 0.00 C ATOM 716 C ALA A 48 24.467 -6.114 -17.232 1.00 0.00 C ATOM 717 O ALA A 48 24.472 -7.189 -16.639 1.00 0.00 O ATOM 718 CB ALA A 48 25.236 -5.823 -19.635 1.00 0.00 C ATOM 0 H ALA A 48 23.418 -4.201 -19.541 1.00 0.00 H new ATOM 0 HA ALA A 48 23.562 -6.974 -18.946 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.953 -6.630 -19.483 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.898 -5.828 -20.671 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.712 -4.868 -19.413 1.00 0.00 H new ATOM 724 N MET A 49 24.733 -4.967 -16.606 1.00 0.00 N ATOM 725 CA MET A 49 25.167 -4.867 -15.207 1.00 0.00 C ATOM 726 C MET A 49 24.062 -5.247 -14.215 1.00 0.00 C ATOM 727 O MET A 49 24.379 -5.701 -13.118 1.00 0.00 O ATOM 728 CB MET A 49 25.703 -3.450 -14.945 1.00 0.00 C ATOM 729 CG MET A 49 26.923 -3.092 -15.803 1.00 0.00 C ATOM 730 SD MET A 49 28.543 -3.454 -15.074 1.00 0.00 S ATOM 731 CE MET A 49 28.676 -5.232 -15.345 1.00 0.00 C ATOM 0 H MET A 49 24.652 -4.060 -17.065 1.00 0.00 H new ATOM 0 HA MET A 49 25.966 -5.591 -15.045 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.909 -2.728 -15.136 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.969 -3.359 -13.892 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.845 -3.626 -16.750 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.880 -2.027 -16.033 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.726 -5.508 -15.443 1.00 0.00 H new ATOM 0 HE2 MET A 49 28.239 -5.763 -14.499 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.143 -5.502 -16.257 1.00 0.00 H new ATOM 741 N MET A 50 22.787 -5.113 -14.587 1.00 0.00 N ATOM 742 CA MET A 50 21.659 -5.648 -13.811 1.00 0.00 C ATOM 743 C MET A 50 21.476 -7.157 -14.053 1.00 0.00 C ATOM 744 O MET A 50 21.219 -7.904 -13.108 1.00 0.00 O ATOM 745 CB MET A 50 20.372 -4.883 -14.151 1.00 0.00 C ATOM 746 CG MET A 50 20.411 -3.400 -13.751 1.00 0.00 C ATOM 747 SD MET A 50 20.817 -3.026 -12.023 1.00 0.00 S ATOM 748 CE MET A 50 19.568 -4.029 -11.184 1.00 0.00 C ATOM 0 H MET A 50 22.504 -4.628 -15.439 1.00 0.00 H new ATOM 0 HA MET A 50 21.881 -5.510 -12.753 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.189 -4.956 -15.223 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.531 -5.363 -13.650 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.139 -2.896 -14.387 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.437 -2.963 -13.973 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.185 -3.486 -10.320 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.749 -4.240 -11.872 1.00 0.00 H new ATOM 0 HE3 MET A 50 20.016 -4.966 -10.854 1.00 0.00 H new ATOM 758 N GLU A 51 21.702 -7.646 -15.278 1.00 0.00 N ATOM 759 CA GLU A 51 21.643 -9.085 -15.580 1.00 0.00 C ATOM 760 C GLU A 51 22.777 -9.878 -14.901 1.00 0.00 C ATOM 761 O GLU A 51 22.586 -11.041 -14.542 1.00 0.00 O ATOM 762 CB GLU A 51 21.659 -9.301 -17.100 1.00 0.00 C ATOM 763 CG GLU A 51 20.286 -9.084 -17.751 1.00 0.00 C ATOM 764 CD GLU A 51 19.415 -10.355 -17.647 1.00 0.00 C ATOM 765 OE1 GLU A 51 18.843 -10.634 -16.564 1.00 0.00 O ATOM 766 OE2 GLU A 51 19.315 -11.108 -18.649 1.00 0.00 O ATOM 0 H GLU A 51 21.929 -7.063 -16.083 1.00 0.00 H new ATOM 0 HA GLU A 51 20.708 -9.469 -15.171 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.380 -8.619 -17.551 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.000 -10.314 -17.314 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.778 -8.250 -17.266 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.416 -8.813 -18.799 1.00 0.00 H new ATOM 773 N GLU A 52 23.921 -9.241 -14.625 1.00 0.00 N ATOM 774 CA GLU A 52 25.020 -9.816 -13.826 1.00 0.00 C ATOM 775 C GLU A 52 24.619 -10.124 -12.368 1.00 0.00 C ATOM 776 O GLU A 52 25.264 -10.951 -11.721 1.00 0.00 O ATOM 777 CB GLU A 52 26.222 -8.856 -13.836 1.00 0.00 C ATOM 778 CG GLU A 52 26.989 -8.837 -15.162 1.00 0.00 C ATOM 779 CD GLU A 52 27.822 -10.117 -15.358 1.00 0.00 C ATOM 780 OE1 GLU A 52 28.972 -10.179 -14.857 1.00 0.00 O ATOM 781 OE2 GLU A 52 27.342 -11.071 -16.018 1.00 0.00 O ATOM 0 H GLU A 52 24.117 -8.296 -14.954 1.00 0.00 H new ATOM 0 HA GLU A 52 25.281 -10.767 -14.290 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.871 -7.848 -13.616 1.00 0.00 H new ATOM 0 HB3 GLU A 52 26.906 -9.137 -13.036 1.00 0.00 H new ATOM 0 HG2 GLU A 52 26.285 -8.731 -15.988 1.00 0.00 H new ATOM 0 HG3 GLU A 52 27.646 -7.968 -15.190 1.00 0.00 H new ATOM 788 N VAL A 53 23.543 -9.504 -11.859 1.00 0.00 N ATOM 789 CA VAL A 53 22.910 -9.819 -10.558 1.00 0.00 C ATOM 790 C VAL A 53 21.532 -10.488 -10.716 1.00 0.00 C ATOM 791 O VAL A 53 20.764 -10.590 -9.759 1.00 0.00 O ATOM 792 CB VAL A 53 22.891 -8.601 -9.607 1.00 0.00 C ATOM 793 CG1 VAL A 53 24.323 -8.209 -9.229 1.00 0.00 C ATOM 794 CG2 VAL A 53 22.197 -7.366 -10.194 1.00 0.00 C ATOM 0 H VAL A 53 23.071 -8.746 -12.352 1.00 0.00 H new ATOM 0 HA VAL A 53 23.542 -10.565 -10.076 1.00 0.00 H new ATOM 0 HB VAL A 53 22.318 -8.918 -8.736 1.00 0.00 H new ATOM 0 HG11 VAL A 53 24.300 -7.350 -8.559 1.00 0.00 H new ATOM 0 HG12 VAL A 53 24.810 -9.046 -8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 53 24.880 -7.951 -10.130 1.00 0.00 H new ATOM 0 HG21 VAL A 53 22.224 -6.554 -9.468 1.00 0.00 H new ATOM 0 HG22 VAL A 53 22.712 -7.057 -11.104 1.00 0.00 H new ATOM 0 HG23 VAL A 53 21.160 -7.608 -10.429 1.00 0.00 H new ATOM 804 N GLY A 54 21.219 -10.974 -11.923 1.00 0.00 N ATOM 805 CA GLY A 54 20.000 -11.726 -12.239 1.00 0.00 C ATOM 806 C GLY A 54 18.712 -10.893 -12.286 1.00 0.00 C ATOM 807 O GLY A 54 17.620 -11.462 -12.215 1.00 0.00 O ATOM 0 H GLY A 54 21.827 -10.850 -12.732 1.00 0.00 H new ATOM 0 HA2 GLY A 54 20.133 -12.214 -13.204 1.00 0.00 H new ATOM 0 HA3 GLY A 54 19.877 -12.515 -11.497 1.00 0.00 H new ATOM 811 N ILE A 55 18.821 -9.561 -12.384 1.00 0.00 N ATOM 812 CA ILE A 55 17.690 -8.626 -12.437 1.00 0.00 C ATOM 813 C ILE A 55 17.465 -8.170 -13.883 1.00 0.00 C ATOM 814 O ILE A 55 18.366 -7.621 -14.519 1.00 0.00 O ATOM 815 CB ILE A 55 17.921 -7.441 -11.475 1.00 0.00 C ATOM 816 CG1 ILE A 55 17.898 -7.944 -10.014 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.869 -6.337 -11.689 1.00 0.00 C ATOM 818 CD1 ILE A 55 18.091 -6.864 -8.942 1.00 0.00 C ATOM 0 H ILE A 55 19.725 -9.091 -12.430 1.00 0.00 H new ATOM 0 HA ILE A 55 16.782 -9.129 -12.103 1.00 0.00 H new ATOM 0 HB ILE A 55 18.898 -7.007 -11.686 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.946 -8.443 -9.835 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.679 -8.695 -9.894 1.00 0.00 H new ATOM 0 HG21 ILE A 55 17.057 -5.516 -10.997 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.930 -5.970 -12.714 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.874 -6.743 -11.508 1.00 0.00 H new ATOM 0 HD11 ILE A 55 18.058 -7.322 -7.954 1.00 0.00 H new ATOM 0 HD12 ILE A 55 19.056 -6.378 -9.085 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.296 -6.123 -9.025 1.00 0.00 H new ATOM 830 N ASP A 56 16.240 -8.342 -14.388 1.00 0.00 N ATOM 831 CA ASP A 56 15.903 -7.981 -15.766 1.00 0.00 C ATOM 832 C ASP A 56 15.290 -6.576 -15.863 1.00 0.00 C ATOM 833 O ASP A 56 14.263 -6.286 -15.243 1.00 0.00 O ATOM 834 CB ASP A 56 14.993 -9.045 -16.394 1.00 0.00 C ATOM 835 CG ASP A 56 14.665 -8.722 -17.863 1.00 0.00 C ATOM 836 OD1 ASP A 56 15.517 -8.119 -18.562 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.547 -9.058 -18.317 1.00 0.00 O ATOM 0 H ASP A 56 15.461 -8.732 -13.858 1.00 0.00 H new ATOM 0 HA ASP A 56 16.831 -7.950 -16.337 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.479 -10.019 -16.336 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.068 -9.116 -15.822 1.00 0.00 H new ATOM 842 N ILE A 57 15.917 -5.727 -16.679 1.00 0.00 N ATOM 843 CA ILE A 57 15.406 -4.413 -17.106 1.00 0.00 C ATOM 844 C ILE A 57 15.399 -4.260 -18.643 1.00 0.00 C ATOM 845 O ILE A 57 15.298 -3.147 -19.151 1.00 0.00 O ATOM 846 CB ILE A 57 16.145 -3.246 -16.407 1.00 0.00 C ATOM 847 CG1 ILE A 57 17.660 -3.213 -16.692 1.00 0.00 C ATOM 848 CG2 ILE A 57 15.885 -3.229 -14.887 1.00 0.00 C ATOM 849 CD1 ILE A 57 18.236 -1.787 -16.632 1.00 0.00 C ATOM 0 H ILE A 57 16.831 -5.939 -17.079 1.00 0.00 H new ATOM 0 HA ILE A 57 14.366 -4.363 -16.784 1.00 0.00 H new ATOM 0 HB ILE A 57 15.723 -2.341 -16.845 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.177 -3.842 -15.967 1.00 0.00 H new ATOM 0 HG13 ILE A 57 17.851 -3.638 -17.677 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.422 -2.395 -14.435 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.817 -3.116 -14.702 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.232 -4.164 -14.448 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.306 -1.818 -16.840 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.740 -1.163 -17.375 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.071 -1.369 -15.639 1.00 0.00 H new ATOM 861 N SER A 58 15.518 -5.354 -19.406 1.00 0.00 N ATOM 862 CA SER A 58 15.726 -5.321 -20.870 1.00 0.00 C ATOM 863 C SER A 58 14.571 -4.661 -21.640 1.00 0.00 C ATOM 864 O SER A 58 14.782 -4.105 -22.719 1.00 0.00 O ATOM 865 CB SER A 58 15.929 -6.743 -21.417 1.00 0.00 C ATOM 866 OG SER A 58 16.886 -7.461 -20.663 1.00 0.00 O ATOM 0 H SER A 58 15.473 -6.299 -19.026 1.00 0.00 H new ATOM 0 HA SER A 58 16.617 -4.713 -21.026 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.979 -7.277 -21.403 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.250 -6.691 -22.457 1.00 0.00 H new ATOM 0 HG SER A 58 16.471 -7.795 -19.840 1.00 0.00 H new ATOM 872 N GLY A 59 13.359 -4.687 -21.074 1.00 0.00 N ATOM 873 CA GLY A 59 12.163 -4.027 -21.612 1.00 0.00 C ATOM 874 C GLY A 59 12.034 -2.530 -21.280 1.00 0.00 C ATOM 875 O GLY A 59 11.026 -1.925 -21.653 1.00 0.00 O ATOM 0 H GLY A 59 13.177 -5.183 -20.202 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.160 -4.144 -22.696 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.281 -4.544 -21.233 1.00 0.00 H new ATOM 879 N GLN A 60 13.003 -1.913 -20.583 1.00 0.00 N ATOM 880 CA GLN A 60 12.964 -0.484 -20.273 1.00 0.00 C ATOM 881 C GLN A 60 13.257 0.375 -21.512 1.00 0.00 C ATOM 882 O GLN A 60 13.980 -0.009 -22.435 1.00 0.00 O ATOM 883 CB GLN A 60 13.962 -0.121 -19.159 1.00 0.00 C ATOM 884 CG GLN A 60 13.502 -0.462 -17.736 1.00 0.00 C ATOM 885 CD GLN A 60 14.547 -0.049 -16.695 1.00 0.00 C ATOM 886 OE1 GLN A 60 15.702 0.212 -16.992 1.00 0.00 O ATOM 887 NE2 GLN A 60 14.208 -0.027 -15.429 1.00 0.00 N ATOM 0 H GLN A 60 13.828 -2.392 -20.223 1.00 0.00 H new ATOM 0 HA GLN A 60 11.952 -0.272 -19.928 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.903 -0.636 -19.353 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.168 0.948 -19.211 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.559 0.043 -17.527 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.314 -1.533 -17.660 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.249 -0.241 -15.154 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.903 0.204 -14.719 1.00 0.00 H new ATOM 896 N THR A 61 12.735 1.594 -21.455 1.00 0.00 N ATOM 897 CA THR A 61 12.989 2.724 -22.353 1.00 0.00 C ATOM 898 C THR A 61 13.153 3.967 -21.473 1.00 0.00 C ATOM 899 O THR A 61 12.801 3.953 -20.287 1.00 0.00 O ATOM 900 CB THR A 61 11.847 2.927 -23.371 1.00 0.00 C ATOM 901 OG1 THR A 61 10.591 2.962 -22.723 1.00 0.00 O ATOM 902 CG2 THR A 61 11.802 1.807 -24.413 1.00 0.00 C ATOM 0 H THR A 61 12.070 1.842 -20.723 1.00 0.00 H new ATOM 0 HA THR A 61 13.887 2.532 -22.941 1.00 0.00 H new ATOM 0 HB THR A 61 12.048 3.877 -23.866 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.883 3.093 -23.388 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.983 1.990 -25.109 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.744 1.781 -24.960 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.646 0.851 -23.913 1.00 0.00 H new ATOM 910 N SER A 62 13.738 5.038 -22.008 1.00 0.00 N ATOM 911 CA SER A 62 13.791 6.313 -21.288 1.00 0.00 C ATOM 912 C SER A 62 12.547 7.177 -21.540 1.00 0.00 C ATOM 913 O SER A 62 11.980 7.154 -22.635 1.00 0.00 O ATOM 914 CB SER A 62 15.095 7.035 -21.585 1.00 0.00 C ATOM 915 OG SER A 62 15.230 7.267 -22.968 1.00 0.00 O ATOM 0 H SER A 62 14.178 5.051 -22.928 1.00 0.00 H new ATOM 0 HA SER A 62 13.776 6.102 -20.219 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.123 7.983 -21.047 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.936 6.441 -21.227 1.00 0.00 H new ATOM 0 HG SER A 62 14.749 8.086 -23.211 1.00 0.00 H new ATOM 921 N ASP A 63 12.129 7.950 -20.533 1.00 0.00 N ATOM 922 CA ASP A 63 10.960 8.852 -20.614 1.00 0.00 C ATOM 923 C ASP A 63 11.129 10.180 -19.836 1.00 0.00 C ATOM 924 O ASP A 63 11.762 10.193 -18.775 1.00 0.00 O ATOM 925 CB ASP A 63 9.691 8.135 -20.131 1.00 0.00 C ATOM 926 CG ASP A 63 9.117 7.163 -21.175 1.00 0.00 C ATOM 927 OD1 ASP A 63 8.592 7.634 -22.214 1.00 0.00 O ATOM 928 OD2 ASP A 63 9.123 5.931 -20.929 1.00 0.00 O ATOM 0 H ASP A 63 12.594 7.972 -19.625 1.00 0.00 H new ATOM 0 HA ASP A 63 10.871 9.117 -21.668 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.916 7.586 -19.216 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.934 8.878 -19.879 1.00 0.00 H new ATOM 933 N PRO A 64 10.546 11.301 -20.316 1.00 0.00 N ATOM 934 CA PRO A 64 10.725 12.627 -19.724 1.00 0.00 C ATOM 935 C PRO A 64 9.744 12.936 -18.578 1.00 0.00 C ATOM 936 O PRO A 64 8.568 12.572 -18.618 1.00 0.00 O ATOM 937 CB PRO A 64 10.546 13.602 -20.894 1.00 0.00 C ATOM 938 CG PRO A 64 9.484 12.907 -21.747 1.00 0.00 C ATOM 939 CD PRO A 64 9.826 11.425 -21.581 1.00 0.00 C ATOM 0 HA PRO A 64 11.704 12.705 -19.251 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.216 14.584 -20.556 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.475 13.750 -21.444 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.476 13.130 -21.398 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.536 13.219 -22.790 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.921 10.817 -21.573 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.438 11.074 -22.411 1.00 0.00 H new ATOM 947 N ILE A 65 10.205 13.714 -17.595 1.00 0.00 N ATOM 948 CA ILE A 65 9.465 14.174 -16.406 1.00 0.00 C ATOM 949 C ILE A 65 8.186 14.940 -16.782 1.00 0.00 C ATOM 950 O ILE A 65 7.153 14.795 -16.131 1.00 0.00 O ATOM 951 CB ILE A 65 10.436 15.023 -15.544 1.00 0.00 C ATOM 952 CG1 ILE A 65 9.952 15.092 -14.093 1.00 0.00 C ATOM 953 CG2 ILE A 65 10.696 16.439 -16.097 1.00 0.00 C ATOM 954 CD1 ILE A 65 10.900 15.872 -13.180 1.00 0.00 C ATOM 0 H ILE A 65 11.163 14.064 -17.604 1.00 0.00 H new ATOM 0 HA ILE A 65 9.119 13.317 -15.827 1.00 0.00 H new ATOM 0 HB ILE A 65 11.395 14.507 -15.585 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.967 15.558 -14.067 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.836 14.079 -13.706 1.00 0.00 H new ATOM 0 HG21 ILE A 65 11.384 16.967 -15.437 1.00 0.00 H new ATOM 0 HG22 ILE A 65 11.132 16.366 -17.093 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.755 16.986 -16.152 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.500 15.884 -12.166 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.879 15.394 -13.178 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.996 16.895 -13.544 1.00 0.00 H new ATOM 966 N GLU A 66 8.230 15.680 -17.897 1.00 0.00 N ATOM 967 CA GLU A 66 7.113 16.488 -18.418 1.00 0.00 C ATOM 968 C GLU A 66 5.845 15.673 -18.742 1.00 0.00 C ATOM 969 O GLU A 66 4.746 16.229 -18.705 1.00 0.00 O ATOM 970 CB GLU A 66 7.572 17.225 -19.690 1.00 0.00 C ATOM 971 CG GLU A 66 8.651 18.292 -19.451 1.00 0.00 C ATOM 972 CD GLU A 66 8.096 19.507 -18.679 1.00 0.00 C ATOM 973 OE1 GLU A 66 7.492 20.407 -19.313 1.00 0.00 O ATOM 974 OE2 GLU A 66 8.261 19.573 -17.438 1.00 0.00 O ATOM 0 H GLU A 66 9.065 15.737 -18.480 1.00 0.00 H new ATOM 0 HA GLU A 66 6.841 17.184 -17.624 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.954 16.493 -20.402 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.706 17.699 -20.153 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.478 17.854 -18.892 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.053 18.623 -20.409 1.00 0.00 H new ATOM 981 N ASN A 67 5.970 14.367 -19.037 1.00 0.00 N ATOM 982 CA ASN A 67 4.820 13.494 -19.334 1.00 0.00 C ATOM 983 C ASN A 67 4.207 12.813 -18.086 1.00 0.00 C ATOM 984 O ASN A 67 3.124 12.229 -18.173 1.00 0.00 O ATOM 985 CB ASN A 67 5.210 12.492 -20.448 1.00 0.00 C ATOM 986 CG ASN A 67 5.403 11.064 -19.958 1.00 0.00 C ATOM 987 OD1 ASN A 67 4.619 10.167 -20.238 1.00 0.00 O ATOM 988 ND2 ASN A 67 6.430 10.807 -19.185 1.00 0.00 N ATOM 0 H ASN A 67 6.869 13.887 -19.076 1.00 0.00 H new ATOM 0 HA ASN A 67 4.010 14.124 -19.701 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.437 12.500 -21.216 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.132 12.831 -20.920 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.571 9.865 -18.821 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.088 11.549 -18.947 1.00 0.00 H new ATOM 995 N PHE A 68 4.899 12.862 -16.938 1.00 0.00 N ATOM 996 CA PHE A 68 4.573 12.099 -15.729 1.00 0.00 C ATOM 997 C PHE A 68 3.801 12.905 -14.668 1.00 0.00 C ATOM 998 O PHE A 68 3.617 14.120 -14.778 1.00 0.00 O ATOM 999 CB PHE A 68 5.871 11.479 -15.192 1.00 0.00 C ATOM 1000 CG PHE A 68 6.370 10.270 -15.965 1.00 0.00 C ATOM 1001 CD1 PHE A 68 5.540 9.147 -16.153 1.00 0.00 C ATOM 1002 CD2 PHE A 68 7.681 10.254 -16.473 1.00 0.00 C ATOM 1003 CE1 PHE A 68 6.014 8.024 -16.854 1.00 0.00 C ATOM 1004 CE2 PHE A 68 8.149 9.134 -17.182 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.320 8.017 -17.370 1.00 0.00 C ATOM 0 H PHE A 68 5.724 13.451 -16.824 1.00 0.00 H new ATOM 0 HA PHE A 68 3.872 11.307 -15.994 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.650 12.242 -15.197 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.715 11.189 -14.153 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.535 9.149 -15.757 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.330 11.104 -16.318 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.373 7.166 -16.996 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.151 9.133 -17.584 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.685 7.156 -17.909 1.00 0.00 H new ATOM 1015 N ASN A 69 3.328 12.202 -13.631 1.00 0.00 N ATOM 1016 CA ASN A 69 2.389 12.710 -12.622 1.00 0.00 C ATOM 1017 C ASN A 69 2.935 12.620 -11.184 1.00 0.00 C ATOM 1018 O ASN A 69 2.617 11.682 -10.451 1.00 0.00 O ATOM 1019 CB ASN A 69 1.022 12.014 -12.826 1.00 0.00 C ATOM 1020 CG ASN A 69 1.064 10.497 -13.020 1.00 0.00 C ATOM 1021 OD1 ASN A 69 0.772 9.978 -14.089 1.00 0.00 O ATOM 1022 ND2 ASN A 69 1.417 9.738 -12.010 1.00 0.00 N ATOM 0 H ASN A 69 3.597 11.232 -13.466 1.00 0.00 H new ATOM 0 HA ASN A 69 2.251 13.782 -12.766 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.393 12.233 -11.963 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.537 12.458 -13.695 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.446 8.724 -12.120 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.662 10.162 -11.115 1.00 0.00 H new ATOM 1029 N ALA A 70 3.703 13.629 -10.745 1.00 0.00 N ATOM 1030 CA ALA A 70 4.269 13.681 -9.385 1.00 0.00 C ATOM 1031 C ALA A 70 3.220 13.467 -8.278 1.00 0.00 C ATOM 1032 O ALA A 70 3.523 12.864 -7.255 1.00 0.00 O ATOM 1033 CB ALA A 70 4.942 15.035 -9.149 1.00 0.00 C ATOM 0 H ALA A 70 3.950 14.433 -11.322 1.00 0.00 H new ATOM 0 HA ALA A 70 4.988 12.864 -9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.357 15.064 -8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.742 15.175 -9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.206 15.831 -9.261 1.00 0.00 H new ATOM 1039 N ASP A 71 1.987 13.935 -8.508 1.00 0.00 N ATOM 1040 CA ASP A 71 0.861 13.858 -7.566 1.00 0.00 C ATOM 1041 C ASP A 71 0.506 12.425 -7.119 1.00 0.00 C ATOM 1042 O ASP A 71 -0.003 12.230 -6.011 1.00 0.00 O ATOM 1043 CB ASP A 71 -0.353 14.498 -8.245 1.00 0.00 C ATOM 1044 CG ASP A 71 -1.563 14.604 -7.294 1.00 0.00 C ATOM 1045 OD1 ASP A 71 -1.503 15.402 -6.328 1.00 0.00 O ATOM 1046 OD2 ASP A 71 -2.587 13.918 -7.530 1.00 0.00 O ATOM 0 H ASP A 71 1.736 14.393 -9.384 1.00 0.00 H new ATOM 0 HA ASP A 71 1.155 14.383 -6.657 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.085 15.492 -8.602 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.631 13.909 -9.119 1.00 0.00 H new ATOM 1051 N ASP A 72 0.776 11.422 -7.963 1.00 0.00 N ATOM 1052 CA ASP A 72 0.542 10.012 -7.628 1.00 0.00 C ATOM 1053 C ASP A 72 1.714 9.359 -6.887 1.00 0.00 C ATOM 1054 O ASP A 72 1.498 8.485 -6.046 1.00 0.00 O ATOM 1055 CB ASP A 72 0.232 9.217 -8.898 1.00 0.00 C ATOM 1056 CG ASP A 72 -0.239 7.788 -8.571 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -1.316 7.631 -7.948 1.00 0.00 O ATOM 1058 OD2 ASP A 72 0.454 6.817 -8.962 1.00 0.00 O ATOM 0 H ASP A 72 1.162 11.565 -8.896 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.310 9.994 -6.949 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.538 9.732 -9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.121 9.173 -9.527 1.00 0.00 H new ATOM 1063 N TYR A 73 2.949 9.770 -7.175 1.00 0.00 N ATOM 1064 CA TYR A 73 4.143 9.169 -6.600 1.00 0.00 C ATOM 1065 C TYR A 73 4.282 9.621 -5.140 1.00 0.00 C ATOM 1066 O TYR A 73 4.580 10.781 -4.869 1.00 0.00 O ATOM 1067 CB TYR A 73 5.378 9.529 -7.451 1.00 0.00 C ATOM 1068 CG TYR A 73 5.215 9.390 -8.956 1.00 0.00 C ATOM 1069 CD1 TYR A 73 4.501 8.309 -9.515 1.00 0.00 C ATOM 1070 CD2 TYR A 73 5.756 10.377 -9.804 1.00 0.00 C ATOM 1071 CE1 TYR A 73 4.271 8.257 -10.903 1.00 0.00 C ATOM 1072 CE2 TYR A 73 5.525 10.330 -11.192 1.00 0.00 C ATOM 1073 CZ TYR A 73 4.757 9.282 -11.738 1.00 0.00 C ATOM 1074 OH TYR A 73 4.483 9.265 -13.069 1.00 0.00 O ATOM 0 H TYR A 73 3.146 10.536 -7.819 1.00 0.00 H new ATOM 0 HA TYR A 73 4.061 8.082 -6.605 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.659 10.559 -7.230 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.208 8.897 -7.136 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.130 7.520 -8.877 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.352 11.175 -9.386 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.721 7.430 -11.328 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.935 11.094 -11.836 1.00 0.00 H new ATOM 0 HH TYR A 73 3.620 8.826 -13.220 1.00 0.00 H new ATOM 1084 N ASP A 74 4.091 8.701 -4.187 1.00 0.00 N ATOM 1085 CA ASP A 74 4.312 8.978 -2.762 1.00 0.00 C ATOM 1086 C ASP A 74 5.719 9.548 -2.523 1.00 0.00 C ATOM 1087 O ASP A 74 5.906 10.443 -1.705 1.00 0.00 O ATOM 1088 CB ASP A 74 4.172 7.680 -1.952 1.00 0.00 C ATOM 1089 CG ASP A 74 2.773 7.069 -2.002 1.00 0.00 C ATOM 1090 OD1 ASP A 74 2.527 6.281 -2.947 1.00 0.00 O ATOM 1091 OD2 ASP A 74 1.970 7.313 -1.074 1.00 0.00 O ATOM 0 H ASP A 74 3.781 7.749 -4.380 1.00 0.00 H new ATOM 0 HA ASP A 74 3.568 9.709 -2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.890 6.950 -2.326 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.433 7.881 -0.913 1.00 0.00 H new ATOM 1096 N VAL A 75 6.706 9.046 -3.268 1.00 0.00 N ATOM 1097 CA VAL A 75 8.119 9.403 -3.117 1.00 0.00 C ATOM 1098 C VAL A 75 8.737 9.700 -4.483 1.00 0.00 C ATOM 1099 O VAL A 75 8.531 8.950 -5.437 1.00 0.00 O ATOM 1100 CB VAL A 75 8.872 8.256 -2.428 1.00 0.00 C ATOM 1101 CG1 VAL A 75 10.352 8.574 -2.218 1.00 0.00 C ATOM 1102 CG2 VAL A 75 8.261 7.920 -1.062 1.00 0.00 C ATOM 0 H VAL A 75 6.542 8.365 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 75 8.197 10.299 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 75 8.780 7.403 -3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.839 7.731 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.826 8.756 -3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.448 9.462 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.820 7.104 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.307 8.798 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.221 7.619 -1.192 1.00 0.00 H new ATOM 1112 N VAL A 76 9.562 10.743 -4.569 1.00 0.00 N ATOM 1113 CA VAL A 76 10.345 11.081 -5.771 1.00 0.00 C ATOM 1114 C VAL A 76 11.826 11.176 -5.419 1.00 0.00 C ATOM 1115 O VAL A 76 12.186 11.731 -4.388 1.00 0.00 O ATOM 1116 CB VAL A 76 9.833 12.384 -6.407 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.773 12.950 -7.478 1.00 0.00 C ATOM 1118 CG2 VAL A 76 8.478 12.147 -7.086 1.00 0.00 C ATOM 0 H VAL A 76 9.712 11.391 -3.796 1.00 0.00 H new ATOM 0 HA VAL A 76 10.221 10.288 -6.508 1.00 0.00 H new ATOM 0 HB VAL A 76 9.762 13.098 -5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.350 13.869 -7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.745 13.163 -7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.893 12.221 -8.279 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.127 13.077 -7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.588 11.391 -7.863 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.755 11.804 -6.346 1.00 0.00 H new ATOM 1128 N ILE A 77 12.694 10.645 -6.275 1.00 0.00 N ATOM 1129 CA ILE A 77 14.135 10.555 -6.038 1.00 0.00 C ATOM 1130 C ILE A 77 14.894 11.117 -7.232 1.00 0.00 C ATOM 1131 O ILE A 77 14.705 10.646 -8.347 1.00 0.00 O ATOM 1132 CB ILE A 77 14.543 9.082 -5.821 1.00 0.00 C ATOM 1133 CG1 ILE A 77 13.676 8.316 -4.797 1.00 0.00 C ATOM 1134 CG2 ILE A 77 16.021 8.992 -5.435 1.00 0.00 C ATOM 1135 CD1 ILE A 77 13.786 8.832 -3.358 1.00 0.00 C ATOM 0 H ILE A 77 12.410 10.256 -7.174 1.00 0.00 H new ATOM 0 HA ILE A 77 14.380 11.134 -5.147 1.00 0.00 H new ATOM 0 HB ILE A 77 14.370 8.589 -6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 77 12.633 8.370 -5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 77 13.960 7.264 -4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.295 7.948 -5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.632 9.417 -6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.191 9.548 -4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 77 13.145 8.237 -2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 77 14.819 8.752 -3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 77 13.472 9.875 -3.321 1.00 0.00 H new ATOM 1147 N SER A 78 15.789 12.073 -7.013 1.00 0.00 N ATOM 1148 CA SER A 78 16.738 12.520 -8.032 1.00 0.00 C ATOM 1149 C SER A 78 18.036 11.722 -7.906 1.00 0.00 C ATOM 1150 O SER A 78 18.482 11.391 -6.806 1.00 0.00 O ATOM 1151 CB SER A 78 16.995 14.019 -7.930 1.00 0.00 C ATOM 1152 OG SER A 78 17.791 14.411 -9.037 1.00 0.00 O ATOM 0 H SER A 78 15.879 12.563 -6.123 1.00 0.00 H new ATOM 0 HA SER A 78 16.309 12.339 -9.017 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.052 14.566 -7.927 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.503 14.254 -6.995 1.00 0.00 H new ATOM 0 HG SER A 78 17.590 13.835 -9.804 1.00 0.00 H new ATOM 1158 N LEU A 79 18.634 11.386 -9.047 1.00 0.00 N ATOM 1159 CA LEU A 79 19.953 10.762 -9.143 1.00 0.00 C ATOM 1160 C LEU A 79 20.813 11.555 -10.136 1.00 0.00 C ATOM 1161 O LEU A 79 21.511 10.980 -10.966 1.00 0.00 O ATOM 1162 CB LEU A 79 19.820 9.255 -9.475 1.00 0.00 C ATOM 1163 CG LEU A 79 18.952 8.433 -8.494 1.00 0.00 C ATOM 1164 CD1 LEU A 79 17.506 8.309 -8.948 1.00 0.00 C ATOM 1165 CD2 LEU A 79 19.485 7.004 -8.349 1.00 0.00 C ATOM 0 H LEU A 79 18.202 11.545 -9.957 1.00 0.00 H new ATOM 0 HA LEU A 79 20.468 10.798 -8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.399 9.157 -10.476 1.00 0.00 H new ATOM 0 HB3 LEU A 79 20.818 8.818 -9.505 1.00 0.00 H new ATOM 0 HG LEU A 79 18.999 8.976 -7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 79 16.945 7.722 -8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.064 9.302 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.471 7.814 -9.918 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.855 6.450 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.473 6.511 -9.321 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.506 7.033 -7.969 1.00 0.00 H new ATOM 1177 N CYS A 80 20.708 12.888 -10.114 1.00 0.00 N ATOM 1178 CA CYS A 80 21.280 13.788 -11.130 1.00 0.00 C ATOM 1179 C CYS A 80 22.623 14.433 -10.753 1.00 0.00 C ATOM 1180 O CYS A 80 23.489 14.576 -11.616 1.00 0.00 O ATOM 1181 CB CYS A 80 20.280 14.912 -11.432 1.00 0.00 C ATOM 1182 SG CYS A 80 18.731 14.243 -12.080 1.00 0.00 S ATOM 0 H CYS A 80 20.213 13.386 -9.374 1.00 0.00 H new ATOM 0 HA CYS A 80 21.475 13.154 -11.995 1.00 0.00 H new ATOM 0 HB2 CYS A 80 20.083 15.482 -10.524 1.00 0.00 H new ATOM 0 HB3 CYS A 80 20.712 15.604 -12.155 1.00 0.00 H new ATOM 0 HG CYS A 80 18.404 14.879 -13.166 1.00 0.00 H new ATOM 1188 N GLY A 81 22.807 14.807 -9.484 1.00 0.00 N ATOM 1189 CA GLY A 81 23.933 15.643 -9.046 1.00 0.00 C ATOM 1190 C GLY A 81 23.531 17.128 -9.026 1.00 0.00 C ATOM 1191 O GLY A 81 22.344 17.466 -8.986 1.00 0.00 O ATOM 0 H GLY A 81 22.178 14.539 -8.727 1.00 0.00 H new ATOM 0 HA2 GLY A 81 24.256 15.335 -8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 81 24.781 15.500 -9.715 1.00 0.00 H new ATOM 1195 N CYS A 82 24.519 18.020 -9.075 1.00 0.00 N ATOM 1196 CA CYS A 82 24.305 19.471 -9.171 1.00 0.00 C ATOM 1197 C CYS A 82 23.652 19.904 -10.505 1.00 0.00 C ATOM 1198 O CYS A 82 23.631 19.161 -11.491 1.00 0.00 O ATOM 1199 CB CYS A 82 25.639 20.191 -8.910 1.00 0.00 C ATOM 1200 SG CYS A 82 26.898 19.714 -10.137 1.00 0.00 S ATOM 0 H CYS A 82 25.504 17.757 -9.049 1.00 0.00 H new ATOM 0 HA CYS A 82 23.585 19.763 -8.406 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.485 21.270 -8.944 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.995 19.951 -7.908 1.00 0.00 H new ATOM 0 HG CYS A 82 28.008 20.342 -9.886 1.00 0.00 H new ATOM 1206 N GLY A 83 23.101 21.127 -10.531 1.00 0.00 N ATOM 1207 CA GLY A 83 22.420 21.710 -11.702 1.00 0.00 C ATOM 1208 C GLY A 83 20.944 21.309 -11.864 1.00 0.00 C ATOM 1209 O GLY A 83 20.302 21.726 -12.828 1.00 0.00 O ATOM 0 H GLY A 83 23.115 21.752 -9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.480 22.796 -11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 83 22.961 21.416 -12.601 1.00 0.00 H new ATOM 1213 N VAL A 84 20.401 20.512 -10.932 1.00 0.00 N ATOM 1214 CA VAL A 84 19.009 20.007 -10.928 1.00 0.00 C ATOM 1215 C VAL A 84 18.403 20.154 -9.526 1.00 0.00 C ATOM 1216 O VAL A 84 19.046 19.795 -8.538 1.00 0.00 O ATOM 1217 CB VAL A 84 18.959 18.532 -11.389 1.00 0.00 C ATOM 1218 CG1 VAL A 84 17.521 17.995 -11.432 1.00 0.00 C ATOM 1219 CG2 VAL A 84 19.562 18.352 -12.789 1.00 0.00 C ATOM 0 H VAL A 84 20.935 20.186 -10.127 1.00 0.00 H new ATOM 0 HA VAL A 84 18.422 20.599 -11.630 1.00 0.00 H new ATOM 0 HB VAL A 84 19.543 17.976 -10.656 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.530 16.956 -11.761 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.080 18.057 -10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.931 18.591 -12.129 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.508 17.302 -13.076 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.003 18.954 -13.506 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.604 18.673 -12.780 1.00 0.00 H new ATOM 1229 N ASN A 85 17.165 20.662 -9.428 1.00 0.00 N ATOM 1230 CA ASN A 85 16.477 20.838 -8.135 1.00 0.00 C ATOM 1231 C ASN A 85 14.961 20.524 -8.123 1.00 0.00 C ATOM 1232 O ASN A 85 14.348 20.578 -7.059 1.00 0.00 O ATOM 1233 CB ASN A 85 16.797 22.265 -7.635 1.00 0.00 C ATOM 1234 CG ASN A 85 16.856 22.345 -6.116 1.00 0.00 C ATOM 1235 OD1 ASN A 85 16.004 22.926 -5.457 1.00 0.00 O ATOM 1236 ND2 ASN A 85 17.883 21.781 -5.516 1.00 0.00 N ATOM 0 H ASN A 85 16.615 20.961 -10.233 1.00 0.00 H new ATOM 0 HA ASN A 85 16.861 20.082 -7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 85 17.751 22.588 -8.051 1.00 0.00 H new ATOM 0 HB3 ASN A 85 16.039 22.955 -8.004 1.00 0.00 H new ATOM 0 HD21 ASN A 85 17.969 21.828 -4.501 1.00 0.00 H new ATOM 0 HD22 ASN A 85 18.592 21.297 -6.066 1.00 0.00 H new ATOM 1243 N LEU A 86 14.358 20.183 -9.280 1.00 0.00 N ATOM 1244 CA LEU A 86 12.924 19.859 -9.451 1.00 0.00 C ATOM 1245 C LEU A 86 11.948 20.824 -8.724 1.00 0.00 C ATOM 1246 O LEU A 86 11.145 20.375 -7.910 1.00 0.00 O ATOM 1247 CB LEU A 86 12.662 18.379 -9.087 1.00 0.00 C ATOM 1248 CG LEU A 86 13.426 17.283 -9.831 1.00 0.00 C ATOM 1249 CD1 LEU A 86 12.828 15.939 -9.410 1.00 0.00 C ATOM 1250 CD2 LEU A 86 13.256 17.448 -11.337 1.00 0.00 C ATOM 0 H LEU A 86 14.876 20.123 -10.157 1.00 0.00 H new ATOM 0 HA LEU A 86 12.703 20.010 -10.508 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.870 18.261 -8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.598 18.190 -9.226 1.00 0.00 H new ATOM 0 HG LEU A 86 14.488 17.340 -9.591 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.350 15.132 -9.923 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.936 15.814 -8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.771 15.912 -9.674 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.805 16.661 -11.854 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.199 17.381 -11.593 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.642 18.420 -11.642 1.00 0.00 H new ATOM 1262 N PRO A 87 11.947 22.139 -9.030 1.00 0.00 N ATOM 1263 CA PRO A 87 11.090 23.118 -8.347 1.00 0.00 C ATOM 1264 C PRO A 87 9.547 22.916 -8.381 1.00 0.00 C ATOM 1265 O PRO A 87 8.899 23.545 -7.534 1.00 0.00 O ATOM 1266 CB PRO A 87 11.495 24.483 -8.925 1.00 0.00 C ATOM 1267 CG PRO A 87 12.137 24.160 -10.270 1.00 0.00 C ATOM 1268 CD PRO A 87 12.788 22.803 -10.019 1.00 0.00 C ATOM 0 HA PRO A 87 11.269 23.004 -7.278 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.629 25.134 -9.046 1.00 0.00 H new ATOM 0 HB3 PRO A 87 12.193 25.000 -8.267 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.398 24.112 -11.070 1.00 0.00 H new ATOM 0 HG3 PRO A 87 12.870 24.913 -10.559 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.846 22.220 -10.938 1.00 0.00 H new ATOM 0 HD3 PRO A 87 13.807 22.920 -9.651 1.00 0.00 H new ATOM 1276 N PRO A 88 8.903 22.110 -9.270 1.00 0.00 N ATOM 1277 CA PRO A 88 7.447 21.891 -9.224 1.00 0.00 C ATOM 1278 C PRO A 88 6.993 20.932 -8.096 1.00 0.00 C ATOM 1279 O PRO A 88 7.726 20.654 -7.147 1.00 0.00 O ATOM 1280 CB PRO A 88 7.057 21.377 -10.623 1.00 0.00 C ATOM 1281 CG PRO A 88 8.288 21.558 -11.500 1.00 0.00 C ATOM 1282 CD PRO A 88 9.428 21.512 -10.494 1.00 0.00 C ATOM 0 HA PRO A 88 6.935 22.822 -8.980 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.758 20.330 -10.583 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.210 21.936 -11.021 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.374 20.767 -12.245 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.264 22.504 -12.041 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.754 20.487 -10.319 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.294 22.064 -10.859 1.00 0.00 H new ATOM 1290 N GLU A 89 5.792 20.347 -8.211 1.00 0.00 N ATOM 1291 CA GLU A 89 5.258 19.329 -7.281 1.00 0.00 C ATOM 1292 C GLU A 89 6.113 18.046 -7.149 1.00 0.00 C ATOM 1293 O GLU A 89 5.893 17.231 -6.255 1.00 0.00 O ATOM 1294 CB GLU A 89 3.797 18.987 -7.633 1.00 0.00 C ATOM 1295 CG GLU A 89 3.544 18.590 -9.096 1.00 0.00 C ATOM 1296 CD GLU A 89 3.022 19.781 -9.928 1.00 0.00 C ATOM 1297 OE1 GLU A 89 3.820 20.697 -10.244 1.00 0.00 O ATOM 1298 OE2 GLU A 89 1.811 19.812 -10.261 1.00 0.00 O ATOM 0 H GLU A 89 5.147 20.570 -8.969 1.00 0.00 H new ATOM 0 HA GLU A 89 5.302 19.792 -6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.469 18.169 -6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.173 19.849 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.468 18.215 -9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.820 17.776 -9.132 1.00 0.00 H new ATOM 1305 N TRP A 90 7.150 17.884 -7.975 1.00 0.00 N ATOM 1306 CA TRP A 90 8.151 16.815 -7.882 1.00 0.00 C ATOM 1307 C TRP A 90 8.946 16.797 -6.564 1.00 0.00 C ATOM 1308 O TRP A 90 9.542 15.774 -6.233 1.00 0.00 O ATOM 1309 CB TRP A 90 9.056 16.904 -9.112 1.00 0.00 C ATOM 1310 CG TRP A 90 8.360 16.459 -10.360 1.00 0.00 C ATOM 1311 CD1 TRP A 90 7.589 17.223 -11.170 1.00 0.00 C ATOM 1312 CD2 TRP A 90 8.322 15.119 -10.934 1.00 0.00 C ATOM 1313 NE1 TRP A 90 6.980 16.422 -12.118 1.00 0.00 N ATOM 1314 CE2 TRP A 90 7.386 15.108 -12.009 1.00 0.00 C ATOM 1315 CE3 TRP A 90 9.017 13.922 -10.673 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 7.102 13.948 -12.742 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 8.801 12.775 -11.451 1.00 0.00 C ATOM 1318 CH2 TRP A 90 7.841 12.781 -12.475 1.00 0.00 C ATOM 0 H TRP A 90 7.323 18.517 -8.756 1.00 0.00 H new ATOM 0 HA TRP A 90 7.626 15.860 -7.868 1.00 0.00 H new ATOM 0 HB2 TRP A 90 9.398 17.932 -9.236 1.00 0.00 H new ATOM 0 HB3 TRP A 90 9.942 16.290 -8.954 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.469 18.293 -11.088 1.00 0.00 H new ATOM 0 HE1 TRP A 90 6.313 16.760 -12.812 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.728 13.887 -9.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 6.330 13.950 -13.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 9.377 11.881 -11.261 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.669 11.889 -13.059 1.00 0.00 H new ATOM 1329 N VAL A 91 8.911 17.878 -5.775 1.00 0.00 N ATOM 1330 CA VAL A 91 9.517 17.953 -4.426 1.00 0.00 C ATOM 1331 C VAL A 91 8.507 18.205 -3.295 1.00 0.00 C ATOM 1332 O VAL A 91 8.905 18.299 -2.134 1.00 0.00 O ATOM 1333 CB VAL A 91 10.685 18.960 -4.374 1.00 0.00 C ATOM 1334 CG1 VAL A 91 11.809 18.549 -5.324 1.00 0.00 C ATOM 1335 CG2 VAL A 91 10.245 20.404 -4.658 1.00 0.00 C ATOM 0 H VAL A 91 8.453 18.745 -6.055 1.00 0.00 H new ATOM 0 HA VAL A 91 9.919 16.957 -4.242 1.00 0.00 H new ATOM 0 HB VAL A 91 11.060 18.937 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.618 19.277 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.184 17.566 -5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.427 18.511 -6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.110 21.065 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.803 20.461 -5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.509 20.713 -3.916 1.00 0.00 H new ATOM 1345 N THR A 92 7.202 18.267 -3.600 1.00 0.00 N ATOM 1346 CA THR A 92 6.124 18.461 -2.605 1.00 0.00 C ATOM 1347 C THR A 92 5.475 17.141 -2.148 1.00 0.00 C ATOM 1348 O THR A 92 4.522 17.153 -1.363 1.00 0.00 O ATOM 1349 CB THR A 92 5.048 19.438 -3.110 1.00 0.00 C ATOM 1350 OG1 THR A 92 4.356 18.868 -4.197 1.00 0.00 O ATOM 1351 CG2 THR A 92 5.628 20.774 -3.579 1.00 0.00 C ATOM 0 H THR A 92 6.856 18.183 -4.556 1.00 0.00 H new ATOM 0 HA THR A 92 6.610 18.898 -1.733 1.00 0.00 H new ATOM 0 HB THR A 92 4.386 19.626 -2.265 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.953 18.262 -4.684 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.821 21.420 -3.923 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.150 21.255 -2.751 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.327 20.600 -4.397 1.00 0.00 H new ATOM 1359 N GLN A 93 5.994 15.996 -2.618 1.00 0.00 N ATOM 1360 CA GLN A 93 5.523 14.661 -2.242 1.00 0.00 C ATOM 1361 C GLN A 93 5.986 14.261 -0.819 1.00 0.00 C ATOM 1362 O GLN A 93 6.640 15.037 -0.121 1.00 0.00 O ATOM 1363 CB GLN A 93 5.923 13.641 -3.328 1.00 0.00 C ATOM 1364 CG GLN A 93 5.429 14.013 -4.739 1.00 0.00 C ATOM 1365 CD GLN A 93 3.977 14.515 -4.760 1.00 0.00 C ATOM 1366 OE1 GLN A 93 3.048 13.897 -4.250 1.00 0.00 O ATOM 1367 NE2 GLN A 93 3.739 15.705 -5.275 1.00 0.00 N ATOM 0 H GLN A 93 6.768 15.976 -3.283 1.00 0.00 H new ATOM 0 HA GLN A 93 4.434 14.671 -2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.009 13.549 -3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.525 12.663 -3.059 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.079 14.784 -5.153 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.515 13.142 -5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.497 16.236 -5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.797 16.095 -5.245 1.00 0.00 H new ATOM 1376 N GLU A 94 5.627 13.055 -0.369 1.00 0.00 N ATOM 1377 CA GLU A 94 5.808 12.623 1.031 1.00 0.00 C ATOM 1378 C GLU A 94 7.287 12.564 1.451 1.00 0.00 C ATOM 1379 O GLU A 94 7.637 13.011 2.546 1.00 0.00 O ATOM 1380 CB GLU A 94 5.120 11.264 1.237 1.00 0.00 C ATOM 1381 CG GLU A 94 5.099 10.815 2.697 1.00 0.00 C ATOM 1382 CD GLU A 94 4.322 9.493 2.844 1.00 0.00 C ATOM 1383 OE1 GLU A 94 3.104 9.459 2.544 1.00 0.00 O ATOM 1384 OE2 GLU A 94 4.920 8.470 3.250 1.00 0.00 O ATOM 0 H GLU A 94 5.201 12.344 -0.963 1.00 0.00 H new ATOM 0 HA GLU A 94 5.344 13.371 1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.096 11.323 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.633 10.510 0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.119 10.686 3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.637 11.586 3.314 1.00 0.00 H new ATOM 1391 N ILE A 95 8.155 12.059 0.562 1.00 0.00 N ATOM 1392 CA ILE A 95 9.620 12.087 0.708 1.00 0.00 C ATOM 1393 C ILE A 95 10.268 12.467 -0.630 1.00 0.00 C ATOM 1394 O ILE A 95 9.856 11.987 -1.691 1.00 0.00 O ATOM 1395 CB ILE A 95 10.172 10.731 1.244 1.00 0.00 C ATOM 1396 CG1 ILE A 95 9.566 10.380 2.625 1.00 0.00 C ATOM 1397 CG2 ILE A 95 11.716 10.732 1.315 1.00 0.00 C ATOM 1398 CD1 ILE A 95 10.117 9.106 3.281 1.00 0.00 C ATOM 0 H ILE A 95 7.851 11.608 -0.301 1.00 0.00 H new ATOM 0 HA ILE A 95 9.878 12.844 1.449 1.00 0.00 H new ATOM 0 HB ILE A 95 9.869 9.962 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.735 11.218 3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.487 10.273 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 95 12.063 9.771 1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 95 12.126 10.900 0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 95 12.049 11.526 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.627 8.951 4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.924 8.251 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.191 9.211 3.433 1.00 0.00 H new ATOM 1410 N PHE A 96 11.305 13.304 -0.570 1.00 0.00 N ATOM 1411 CA PHE A 96 12.195 13.602 -1.693 1.00 0.00 C ATOM 1412 C PHE A 96 13.665 13.395 -1.278 1.00 0.00 C ATOM 1413 O PHE A 96 14.071 13.830 -0.197 1.00 0.00 O ATOM 1414 CB PHE A 96 11.933 14.995 -2.283 1.00 0.00 C ATOM 1415 CG PHE A 96 12.940 15.371 -3.358 1.00 0.00 C ATOM 1416 CD1 PHE A 96 12.770 14.946 -4.692 1.00 0.00 C ATOM 1417 CD2 PHE A 96 14.101 16.086 -3.002 1.00 0.00 C ATOM 1418 CE1 PHE A 96 13.774 15.197 -5.646 1.00 0.00 C ATOM 1419 CE2 PHE A 96 15.092 16.353 -3.963 1.00 0.00 C ATOM 1420 CZ PHE A 96 14.933 15.904 -5.284 1.00 0.00 C ATOM 0 H PHE A 96 11.555 13.806 0.282 1.00 0.00 H new ATOM 0 HA PHE A 96 11.979 12.899 -2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.928 15.024 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 96 11.965 15.736 -1.484 1.00 0.00 H new ATOM 0 HD1 PHE A 96 11.868 14.427 -4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 96 14.230 16.430 -1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.653 14.845 -6.660 1.00 0.00 H new ATOM 0 HE2 PHE A 96 15.978 16.905 -3.685 1.00 0.00 H new ATOM 0 HZ PHE A 96 15.699 16.101 -6.019 1.00 0.00 H new ATOM 1430 N GLU A 97 14.459 12.745 -2.133 1.00 0.00 N ATOM 1431 CA GLU A 97 15.904 12.527 -1.938 1.00 0.00 C ATOM 1432 C GLU A 97 16.702 12.829 -3.217 1.00 0.00 C ATOM 1433 O GLU A 97 16.179 12.720 -4.324 1.00 0.00 O ATOM 1434 CB GLU A 97 16.203 11.091 -1.471 1.00 0.00 C ATOM 1435 CG GLU A 97 15.609 10.718 -0.106 1.00 0.00 C ATOM 1436 CD GLU A 97 16.173 11.539 1.080 1.00 0.00 C ATOM 1437 OE1 GLU A 97 17.233 12.202 0.957 1.00 0.00 O ATOM 1438 OE2 GLU A 97 15.563 11.491 2.178 1.00 0.00 O ATOM 0 H GLU A 97 14.111 12.344 -3.004 1.00 0.00 H new ATOM 0 HA GLU A 97 16.219 13.221 -1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 97 15.823 10.395 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.284 10.956 -1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.528 10.852 -0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.792 9.660 0.080 1.00 0.00 H new ATOM 1445 N ASP A 98 17.986 13.169 -3.070 1.00 0.00 N ATOM 1446 CA ASP A 98 18.917 13.403 -4.181 1.00 0.00 C ATOM 1447 C ASP A 98 20.236 12.656 -3.924 1.00 0.00 C ATOM 1448 O ASP A 98 21.121 13.152 -3.218 1.00 0.00 O ATOM 1449 CB ASP A 98 19.127 14.911 -4.382 1.00 0.00 C ATOM 1450 CG ASP A 98 20.221 15.221 -5.425 1.00 0.00 C ATOM 1451 OD1 ASP A 98 20.342 14.492 -6.440 1.00 0.00 O ATOM 1452 OD2 ASP A 98 20.952 16.223 -5.236 1.00 0.00 O ATOM 0 H ASP A 98 18.418 13.292 -2.154 1.00 0.00 H new ATOM 0 HA ASP A 98 18.496 13.010 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 98 18.189 15.366 -4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 98 19.398 15.367 -3.430 1.00 0.00 H new ATOM 1457 N TRP A 99 20.356 11.437 -4.463 1.00 0.00 N ATOM 1458 CA TRP A 99 21.541 10.589 -4.294 1.00 0.00 C ATOM 1459 C TRP A 99 22.531 10.857 -5.436 1.00 0.00 C ATOM 1460 O TRP A 99 22.358 10.379 -6.557 1.00 0.00 O ATOM 1461 CB TRP A 99 21.154 9.106 -4.185 1.00 0.00 C ATOM 1462 CG TRP A 99 19.981 8.767 -3.310 1.00 0.00 C ATOM 1463 CD1 TRP A 99 18.769 8.437 -3.800 1.00 0.00 C ATOM 1464 CD2 TRP A 99 19.848 8.679 -1.851 1.00 0.00 C ATOM 1465 NE1 TRP A 99 17.902 8.146 -2.766 1.00 0.00 N ATOM 1466 CE2 TRP A 99 18.529 8.217 -1.549 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.699 8.916 -0.749 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.091 7.930 -0.249 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 20.258 8.682 0.572 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.963 8.184 0.823 1.00 0.00 C ATOM 0 H TRP A 99 19.627 11.008 -5.033 1.00 0.00 H new ATOM 0 HA TRP A 99 22.035 10.842 -3.356 1.00 0.00 H new ATOM 0 HB2 TRP A 99 20.945 8.736 -5.189 1.00 0.00 H new ATOM 0 HB3 TRP A 99 22.020 8.557 -3.817 1.00 0.00 H new ATOM 0 HD1 TRP A 99 18.514 8.405 -4.849 1.00 0.00 H new ATOM 0 HE1 TRP A 99 16.918 7.908 -2.892 1.00 0.00 H new ATOM 0 HE3 TRP A 99 21.701 9.281 -0.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.106 7.523 -0.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 20.921 8.887 1.400 1.00 0.00 H new ATOM 0 HH2 TRP A 99 18.642 7.998 1.837 1.00 0.00 H new ATOM 1481 N GLN A 100 23.571 11.648 -5.161 1.00 0.00 N ATOM 1482 CA GLN A 100 24.529 12.099 -6.175 1.00 0.00 C ATOM 1483 C GLN A 100 25.634 11.034 -6.373 1.00 0.00 C ATOM 1484 O GLN A 100 26.419 10.776 -5.459 1.00 0.00 O ATOM 1485 CB GLN A 100 25.107 13.471 -5.767 1.00 0.00 C ATOM 1486 CG GLN A 100 24.012 14.522 -5.481 1.00 0.00 C ATOM 1487 CD GLN A 100 24.533 15.958 -5.405 1.00 0.00 C ATOM 1488 OE1 GLN A 100 25.723 16.242 -5.405 1.00 0.00 O ATOM 1489 NE2 GLN A 100 23.650 16.930 -5.363 1.00 0.00 N ATOM 0 H GLN A 100 23.774 11.996 -4.224 1.00 0.00 H new ATOM 0 HA GLN A 100 24.025 12.223 -7.134 1.00 0.00 H new ATOM 0 HB2 GLN A 100 25.727 13.349 -4.879 1.00 0.00 H new ATOM 0 HB3 GLN A 100 25.757 13.837 -6.562 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.253 14.463 -6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 100 23.522 14.274 -4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 100 22.653 16.714 -5.362 1.00 0.00 H new ATOM 0 HE22 GLN A 100 23.961 17.901 -5.331 1.00 0.00 H new ATOM 1498 N LEU A 101 25.678 10.405 -7.556 1.00 0.00 N ATOM 1499 CA LEU A 101 26.571 9.278 -7.896 1.00 0.00 C ATOM 1500 C LEU A 101 27.481 9.596 -9.097 1.00 0.00 C ATOM 1501 O LEU A 101 27.295 10.591 -9.800 1.00 0.00 O ATOM 1502 CB LEU A 101 25.727 8.008 -8.150 1.00 0.00 C ATOM 1503 CG LEU A 101 24.845 7.522 -6.980 1.00 0.00 C ATOM 1504 CD1 LEU A 101 24.172 6.209 -7.367 1.00 0.00 C ATOM 1505 CD2 LEU A 101 25.629 7.258 -5.698 1.00 0.00 C ATOM 0 H LEU A 101 25.073 10.673 -8.332 1.00 0.00 H new ATOM 0 HA LEU A 101 27.234 9.103 -7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.082 8.193 -9.009 1.00 0.00 H new ATOM 0 HB3 LEU A 101 26.403 7.199 -8.427 1.00 0.00 H new ATOM 0 HG LEU A 101 24.129 8.321 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 101 23.548 5.863 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.553 6.364 -8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 101 24.934 5.460 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 101 24.947 6.920 -4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 101 26.380 6.490 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 101 26.121 8.176 -5.377 1.00 0.00 H new ATOM 1517 N GLU A 102 28.454 8.720 -9.347 1.00 0.00 N ATOM 1518 CA GLU A 102 29.345 8.730 -10.507 1.00 0.00 C ATOM 1519 C GLU A 102 28.567 8.491 -11.814 1.00 0.00 C ATOM 1520 O GLU A 102 27.420 8.043 -11.814 1.00 0.00 O ATOM 1521 CB GLU A 102 30.419 7.638 -10.325 1.00 0.00 C ATOM 1522 CG GLU A 102 31.383 7.795 -9.140 1.00 0.00 C ATOM 1523 CD GLU A 102 30.726 7.653 -7.747 1.00 0.00 C ATOM 1524 OE1 GLU A 102 29.798 6.822 -7.574 1.00 0.00 O ATOM 1525 OE2 GLU A 102 31.146 8.380 -6.812 1.00 0.00 O ATOM 0 H GLU A 102 28.652 7.945 -8.714 1.00 0.00 H new ATOM 0 HA GLU A 102 29.816 9.710 -10.577 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.912 6.678 -10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.011 7.591 -11.239 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.173 7.050 -9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.859 8.774 -9.204 1.00 0.00 H new ATOM 1532 N ASP A 103 29.188 8.785 -12.950 1.00 0.00 N ATOM 1533 CA ASP A 103 28.605 8.656 -14.297 1.00 0.00 C ATOM 1534 C ASP A 103 29.322 7.561 -15.122 1.00 0.00 C ATOM 1535 O ASP A 103 30.407 7.831 -15.645 1.00 0.00 O ATOM 1536 CB ASP A 103 28.652 10.026 -14.992 1.00 0.00 C ATOM 1537 CG ASP A 103 28.094 9.982 -16.428 1.00 0.00 C ATOM 1538 OD1 ASP A 103 27.222 9.130 -16.724 1.00 0.00 O ATOM 1539 OD2 ASP A 103 28.512 10.831 -17.253 1.00 0.00 O ATOM 0 H ASP A 103 30.147 9.133 -12.968 1.00 0.00 H new ATOM 0 HA ASP A 103 27.565 8.339 -14.214 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.081 10.746 -14.406 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.682 10.381 -15.017 1.00 0.00 H new ATOM 1544 N PRO A 104 28.763 6.333 -15.237 1.00 0.00 N ATOM 1545 CA PRO A 104 29.436 5.188 -15.872 1.00 0.00 C ATOM 1546 C PRO A 104 29.531 5.214 -17.404 1.00 0.00 C ATOM 1547 O PRO A 104 30.298 4.440 -17.975 1.00 0.00 O ATOM 1548 CB PRO A 104 28.659 3.952 -15.422 1.00 0.00 C ATOM 1549 CG PRO A 104 27.949 4.395 -14.156 1.00 0.00 C ATOM 1550 CD PRO A 104 27.606 5.839 -14.504 1.00 0.00 C ATOM 0 HA PRO A 104 30.480 5.205 -15.558 1.00 0.00 H new ATOM 0 HB2 PRO A 104 27.949 3.629 -16.184 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.326 3.111 -15.231 1.00 0.00 H new ATOM 0 HG2 PRO A 104 27.060 3.798 -13.951 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.590 4.324 -13.277 1.00 0.00 H new ATOM 0 HD2 PRO A 104 26.701 5.895 -15.109 1.00 0.00 H new ATOM 0 HD3 PRO A 104 27.426 6.430 -13.606 1.00 0.00 H new ATOM 1558 N ASP A 105 28.767 6.067 -18.085 1.00 0.00 N ATOM 1559 CA ASP A 105 28.698 6.119 -19.551 1.00 0.00 C ATOM 1560 C ASP A 105 30.080 6.420 -20.173 1.00 0.00 C ATOM 1561 O ASP A 105 30.604 7.534 -20.064 1.00 0.00 O ATOM 1562 CB ASP A 105 27.638 7.164 -19.940 1.00 0.00 C ATOM 1563 CG ASP A 105 27.347 7.274 -21.449 1.00 0.00 C ATOM 1564 OD1 ASP A 105 28.002 6.592 -22.276 1.00 0.00 O ATOM 1565 OD2 ASP A 105 26.416 8.045 -21.797 1.00 0.00 O ATOM 0 H ASP A 105 28.167 6.754 -17.629 1.00 0.00 H new ATOM 0 HA ASP A 105 28.405 5.147 -19.948 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.708 6.924 -19.424 1.00 0.00 H new ATOM 0 HB3 ASP A 105 27.962 8.139 -19.577 1.00 0.00 H new ATOM 1570 N GLY A 106 30.690 5.403 -20.803 1.00 0.00 N ATOM 1571 CA GLY A 106 32.025 5.492 -21.407 1.00 0.00 C ATOM 1572 C GLY A 106 33.192 5.265 -20.431 1.00 0.00 C ATOM 1573 O GLY A 106 34.338 5.559 -20.781 1.00 0.00 O ATOM 0 H GLY A 106 30.261 4.483 -20.907 1.00 0.00 H new ATOM 0 HA2 GLY A 106 32.094 4.759 -22.211 1.00 0.00 H new ATOM 0 HA3 GLY A 106 32.137 6.476 -21.863 1.00 0.00 H new ATOM 1577 N GLN A 107 32.919 4.752 -19.220 1.00 0.00 N ATOM 1578 CA GLN A 107 33.925 4.448 -18.194 1.00 0.00 C ATOM 1579 C GLN A 107 34.411 2.985 -18.309 1.00 0.00 C ATOM 1580 O GLN A 107 35.168 2.650 -19.224 1.00 0.00 O ATOM 1581 CB GLN A 107 33.393 4.796 -16.788 1.00 0.00 C ATOM 1582 CG GLN A 107 32.821 6.203 -16.587 1.00 0.00 C ATOM 1583 CD GLN A 107 33.813 7.359 -16.523 1.00 0.00 C ATOM 1584 OE1 GLN A 107 34.999 7.256 -16.808 1.00 0.00 O ATOM 1585 NE2 GLN A 107 33.333 8.514 -16.109 1.00 0.00 N ATOM 0 H GLN A 107 31.969 4.532 -18.922 1.00 0.00 H new ATOM 0 HA GLN A 107 34.800 5.076 -18.363 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.616 4.075 -16.532 1.00 0.00 H new ATOM 0 HB3 GLN A 107 34.205 4.656 -16.075 1.00 0.00 H new ATOM 0 HG2 GLN A 107 32.123 6.402 -17.400 1.00 0.00 H new ATOM 0 HG3 GLN A 107 32.243 6.203 -15.663 1.00 0.00 H new ATOM 0 HE21 GLN A 107 32.345 8.600 -15.872 1.00 0.00 H new ATOM 0 HE22 GLN A 107 33.950 9.322 -16.026 1.00 0.00 H new ATOM 1594 N SER A 108 33.976 2.110 -17.391 1.00 0.00 N ATOM 1595 CA SER A 108 34.219 0.658 -17.402 1.00 0.00 C ATOM 1596 C SER A 108 33.175 -0.061 -16.545 1.00 0.00 C ATOM 1597 O SER A 108 32.486 0.566 -15.739 1.00 0.00 O ATOM 1598 CB SER A 108 35.625 0.341 -16.866 1.00 0.00 C ATOM 1599 OG SER A 108 35.967 -1.006 -17.156 1.00 0.00 O ATOM 0 H SER A 108 33.422 2.406 -16.587 1.00 0.00 H new ATOM 0 HA SER A 108 34.144 0.309 -18.432 1.00 0.00 H new ATOM 0 HB2 SER A 108 36.354 1.014 -17.316 1.00 0.00 H new ATOM 0 HB3 SER A 108 35.658 0.509 -15.790 1.00 0.00 H new ATOM 0 HG SER A 108 36.865 -1.197 -16.812 1.00 0.00 H new ATOM 1605 N LEU A 109 33.101 -1.389 -16.648 1.00 0.00 N ATOM 1606 CA LEU A 109 32.180 -2.233 -15.876 1.00 0.00 C ATOM 1607 C LEU A 109 32.376 -2.099 -14.368 1.00 0.00 C ATOM 1608 O LEU A 109 31.408 -2.066 -13.624 1.00 0.00 O ATOM 1609 CB LEU A 109 32.372 -3.694 -16.306 1.00 0.00 C ATOM 1610 CG LEU A 109 32.118 -3.978 -17.798 1.00 0.00 C ATOM 1611 CD1 LEU A 109 32.320 -5.468 -18.045 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.712 -3.582 -18.248 1.00 0.00 C ATOM 0 H LEU A 109 33.693 -1.923 -17.285 1.00 0.00 H new ATOM 0 HA LEU A 109 31.164 -1.899 -16.086 1.00 0.00 H new ATOM 0 HB2 LEU A 109 33.391 -3.996 -16.064 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.704 -4.321 -15.715 1.00 0.00 H new ATOM 0 HG LEU A 109 32.819 -3.376 -18.375 1.00 0.00 H new ATOM 0 HD11 LEU A 109 32.144 -5.689 -19.098 1.00 0.00 H new ATOM 0 HD12 LEU A 109 33.341 -5.745 -17.781 1.00 0.00 H new ATOM 0 HD13 LEU A 109 31.620 -6.036 -17.433 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.593 -3.806 -19.308 1.00 0.00 H new ATOM 0 HD22 LEU A 109 29.975 -4.143 -17.673 1.00 0.00 H new ATOM 0 HD23 LEU A 109 30.565 -2.515 -18.084 1.00 0.00 H new ATOM 1624 N GLU A 110 33.612 -1.922 -13.911 1.00 0.00 N ATOM 1625 CA GLU A 110 33.926 -1.639 -12.495 1.00 0.00 C ATOM 1626 C GLU A 110 33.261 -0.356 -12.009 1.00 0.00 C ATOM 1627 O GLU A 110 32.785 -0.276 -10.878 1.00 0.00 O ATOM 1628 CB GLU A 110 35.440 -1.494 -12.292 1.00 0.00 C ATOM 1629 CG GLU A 110 36.157 -2.766 -12.716 1.00 0.00 C ATOM 1630 CD GLU A 110 37.652 -2.727 -12.353 1.00 0.00 C ATOM 1631 OE1 GLU A 110 38.467 -2.221 -13.164 1.00 0.00 O ATOM 1632 OE2 GLU A 110 38.027 -3.207 -11.254 1.00 0.00 O ATOM 0 H GLU A 110 34.437 -1.969 -14.509 1.00 0.00 H new ATOM 0 HA GLU A 110 33.543 -2.482 -11.920 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.812 -0.649 -12.872 1.00 0.00 H new ATOM 0 HB3 GLU A 110 35.654 -1.280 -11.245 1.00 0.00 H new ATOM 0 HG2 GLU A 110 35.688 -3.625 -12.235 1.00 0.00 H new ATOM 0 HG3 GLU A 110 36.048 -2.904 -13.792 1.00 0.00 H new ATOM 1639 N VAL A 111 33.176 0.645 -12.885 1.00 0.00 N ATOM 1640 CA VAL A 111 32.552 1.925 -12.552 1.00 0.00 C ATOM 1641 C VAL A 111 31.028 1.811 -12.601 1.00 0.00 C ATOM 1642 O VAL A 111 30.349 2.364 -11.737 1.00 0.00 O ATOM 1643 CB VAL A 111 33.110 3.052 -13.436 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.435 4.400 -13.175 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.614 3.230 -13.184 1.00 0.00 C ATOM 0 H VAL A 111 33.535 0.593 -13.838 1.00 0.00 H new ATOM 0 HA VAL A 111 32.806 2.191 -11.526 1.00 0.00 H new ATOM 0 HB VAL A 111 32.912 2.753 -14.465 1.00 0.00 H new ATOM 0 HG11 VAL A 111 32.870 5.157 -13.828 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.367 4.317 -13.376 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.587 4.687 -12.135 1.00 0.00 H new ATOM 0 HG21 VAL A 111 34.997 4.031 -13.816 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.780 3.483 -12.137 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.135 2.302 -13.420 1.00 0.00 H new ATOM 1655 N PHE A 112 30.478 1.012 -13.528 1.00 0.00 N ATOM 1656 CA PHE A 112 29.047 0.672 -13.504 1.00 0.00 C ATOM 1657 C PHE A 112 28.689 -0.097 -12.229 1.00 0.00 C ATOM 1658 O PHE A 112 27.725 0.258 -11.566 1.00 0.00 O ATOM 1659 CB PHE A 112 28.665 -0.151 -14.741 1.00 0.00 C ATOM 1660 CG PHE A 112 28.267 0.626 -15.976 1.00 0.00 C ATOM 1661 CD1 PHE A 112 26.926 1.009 -16.154 1.00 0.00 C ATOM 1662 CD2 PHE A 112 29.219 0.935 -16.963 1.00 0.00 C ATOM 1663 CE1 PHE A 112 26.536 1.701 -17.313 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.832 1.639 -18.115 1.00 0.00 C ATOM 1665 CZ PHE A 112 27.496 2.031 -18.283 1.00 0.00 C ATOM 0 H PHE A 112 30.998 0.592 -14.298 1.00 0.00 H new ATOM 0 HA PHE A 112 28.482 1.604 -13.515 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.509 -0.791 -14.998 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.838 -0.808 -14.471 1.00 0.00 H new ATOM 0 HD1 PHE A 112 26.193 0.771 -15.397 1.00 0.00 H new ATOM 0 HD2 PHE A 112 30.248 0.631 -16.836 1.00 0.00 H new ATOM 0 HE1 PHE A 112 25.502 1.978 -17.457 1.00 0.00 H new ATOM 0 HE2 PHE A 112 29.564 1.879 -18.872 1.00 0.00 H new ATOM 0 HZ PHE A 112 27.205 2.588 -19.161 1.00 0.00 H new ATOM 1675 N ARG A 113 29.498 -1.080 -11.822 1.00 0.00 N ATOM 1676 CA ARG A 113 29.342 -1.845 -10.563 1.00 0.00 C ATOM 1677 C ARG A 113 29.416 -0.939 -9.327 1.00 0.00 C ATOM 1678 O ARG A 113 28.582 -1.055 -8.432 1.00 0.00 O ATOM 1679 CB ARG A 113 30.423 -2.945 -10.512 1.00 0.00 C ATOM 1680 CG ARG A 113 30.124 -4.098 -11.491 1.00 0.00 C ATOM 1681 CD ARG A 113 31.354 -4.959 -11.803 1.00 0.00 C ATOM 1682 NE ARG A 113 31.943 -5.574 -10.593 1.00 0.00 N ATOM 1683 CZ ARG A 113 33.069 -6.268 -10.529 1.00 0.00 C ATOM 1684 NH1 ARG A 113 33.796 -6.508 -11.581 1.00 0.00 N ATOM 1685 NH2 ARG A 113 33.491 -6.734 -9.387 1.00 0.00 N ATOM 0 H ARG A 113 30.305 -1.380 -12.369 1.00 0.00 H new ATOM 0 HA ARG A 113 28.352 -2.302 -10.550 1.00 0.00 H new ATOM 0 HB2 ARG A 113 31.394 -2.510 -10.750 1.00 0.00 H new ATOM 0 HB3 ARG A 113 30.491 -3.339 -9.498 1.00 0.00 H new ATOM 0 HG2 ARG A 113 29.343 -4.731 -11.070 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.732 -3.685 -12.420 1.00 0.00 H new ATOM 0 HD2 ARG A 113 31.074 -5.744 -12.505 1.00 0.00 H new ATOM 0 HD3 ARG A 113 32.107 -4.344 -12.296 1.00 0.00 H new ATOM 0 HE ARG A 113 31.430 -5.451 -9.720 1.00 0.00 H new ATOM 0 HH11 ARG A 113 33.504 -6.158 -12.493 1.00 0.00 H new ATOM 0 HH12 ARG A 113 34.658 -7.047 -11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 113 32.953 -6.565 -8.537 1.00 0.00 H new ATOM 0 HH22 ARG A 113 34.359 -7.268 -9.343 1.00 0.00 H new ATOM 1699 N THR A 114 30.342 0.021 -9.328 1.00 0.00 N ATOM 1700 CA THR A 114 30.499 1.034 -8.261 1.00 0.00 C ATOM 1701 C THR A 114 29.238 1.890 -8.107 1.00 0.00 C ATOM 1702 O THR A 114 28.770 2.113 -6.992 1.00 0.00 O ATOM 1703 CB THR A 114 31.726 1.924 -8.538 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.907 1.150 -8.478 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.893 3.058 -7.529 1.00 0.00 C ATOM 0 H THR A 114 31.022 0.126 -10.081 1.00 0.00 H new ATOM 0 HA THR A 114 30.655 0.504 -7.322 1.00 0.00 H new ATOM 0 HB THR A 114 31.560 2.352 -9.526 1.00 0.00 H new ATOM 0 HG1 THR A 114 32.975 0.595 -9.283 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.776 3.645 -7.784 1.00 0.00 H new ATOM 0 HG22 THR A 114 31.012 3.699 -7.553 1.00 0.00 H new ATOM 0 HG23 THR A 114 32.011 2.641 -6.529 1.00 0.00 H new ATOM 1713 N VAL A 115 28.630 2.330 -9.214 1.00 0.00 N ATOM 1714 CA VAL A 115 27.327 3.031 -9.188 1.00 0.00 C ATOM 1715 C VAL A 115 26.176 2.104 -8.801 1.00 0.00 C ATOM 1716 O VAL A 115 25.419 2.431 -7.890 1.00 0.00 O ATOM 1717 CB VAL A 115 27.089 3.738 -10.534 1.00 0.00 C ATOM 1718 CG1 VAL A 115 25.673 4.292 -10.709 1.00 0.00 C ATOM 1719 CG2 VAL A 115 28.051 4.920 -10.617 1.00 0.00 C ATOM 0 H VAL A 115 29.018 2.215 -10.150 1.00 0.00 H new ATOM 0 HA VAL A 115 27.361 3.790 -8.407 1.00 0.00 H new ATOM 0 HB VAL A 115 27.244 2.991 -11.313 1.00 0.00 H new ATOM 0 HG11 VAL A 115 25.589 4.774 -11.683 1.00 0.00 H new ATOM 0 HG12 VAL A 115 24.953 3.476 -10.644 1.00 0.00 H new ATOM 0 HG13 VAL A 115 25.468 5.020 -9.925 1.00 0.00 H new ATOM 0 HG21 VAL A 115 27.905 5.442 -11.563 1.00 0.00 H new ATOM 0 HG22 VAL A 115 27.858 5.605 -9.791 1.00 0.00 H new ATOM 0 HG23 VAL A 115 29.078 4.559 -10.556 1.00 0.00 H new ATOM 1729 N ARG A 116 26.076 0.926 -9.425 1.00 0.00 N ATOM 1730 CA ARG A 116 25.017 -0.082 -9.215 1.00 0.00 C ATOM 1731 C ARG A 116 24.847 -0.441 -7.737 1.00 0.00 C ATOM 1732 O ARG A 116 23.732 -0.409 -7.231 1.00 0.00 O ATOM 1733 CB ARG A 116 25.365 -1.310 -10.092 1.00 0.00 C ATOM 1734 CG ARG A 116 24.284 -2.398 -10.088 1.00 0.00 C ATOM 1735 CD ARG A 116 24.772 -3.723 -10.689 1.00 0.00 C ATOM 1736 NE ARG A 116 25.748 -4.394 -9.796 1.00 0.00 N ATOM 1737 CZ ARG A 116 26.520 -5.429 -10.080 1.00 0.00 C ATOM 1738 NH1 ARG A 116 26.462 -6.046 -11.223 1.00 0.00 N ATOM 1739 NH2 ARG A 116 27.376 -5.865 -9.205 1.00 0.00 N ATOM 0 H ARG A 116 26.759 0.630 -10.123 1.00 0.00 H new ATOM 0 HA ARG A 116 24.049 0.320 -9.515 1.00 0.00 H new ATOM 0 HB2 ARG A 116 25.530 -0.978 -11.117 1.00 0.00 H new ATOM 0 HB3 ARG A 116 26.303 -1.741 -9.742 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.951 -2.569 -9.064 1.00 0.00 H new ATOM 0 HG3 ARG A 116 23.419 -2.046 -10.650 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.921 -4.382 -10.861 1.00 0.00 H new ATOM 0 HD3 ARG A 116 25.232 -3.537 -11.659 1.00 0.00 H new ATOM 0 HE ARG A 116 25.833 -4.013 -8.854 1.00 0.00 H new ATOM 0 HH11 ARG A 116 25.804 -5.735 -11.938 1.00 0.00 H new ATOM 0 HH12 ARG A 116 27.074 -6.841 -11.405 1.00 0.00 H new ATOM 0 HH21 ARG A 116 27.454 -5.409 -8.296 1.00 0.00 H new ATOM 0 HH22 ARG A 116 27.970 -6.664 -9.427 1.00 0.00 H new ATOM 1753 N GLY A 117 25.948 -0.711 -7.035 1.00 0.00 N ATOM 1754 CA GLY A 117 25.942 -1.048 -5.603 1.00 0.00 C ATOM 1755 C GLY A 117 25.393 0.076 -4.718 1.00 0.00 C ATOM 1756 O GLY A 117 24.623 -0.186 -3.795 1.00 0.00 O ATOM 0 H GLY A 117 26.882 -0.703 -7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 117 25.343 -1.946 -5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 117 26.958 -1.285 -5.288 1.00 0.00 H new ATOM 1760 N GLN A 118 25.693 1.338 -5.052 1.00 0.00 N ATOM 1761 CA GLN A 118 25.138 2.500 -4.345 1.00 0.00 C ATOM 1762 C GLN A 118 23.648 2.686 -4.672 1.00 0.00 C ATOM 1763 O GLN A 118 22.842 2.774 -3.755 1.00 0.00 O ATOM 1764 CB GLN A 118 25.947 3.773 -4.641 1.00 0.00 C ATOM 1765 CG GLN A 118 27.408 3.701 -4.158 1.00 0.00 C ATOM 1766 CD GLN A 118 28.224 4.883 -4.687 1.00 0.00 C ATOM 1767 OE1 GLN A 118 28.371 5.915 -4.048 1.00 0.00 O ATOM 1768 NE2 GLN A 118 28.753 4.777 -5.889 1.00 0.00 N ATOM 0 H GLN A 118 26.324 1.582 -5.816 1.00 0.00 H new ATOM 0 HA GLN A 118 25.217 2.309 -3.275 1.00 0.00 H new ATOM 0 HB2 GLN A 118 25.937 3.958 -5.715 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.457 4.623 -4.166 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.434 3.696 -3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.859 2.766 -4.492 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.633 3.918 -6.425 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.283 5.554 -6.283 1.00 0.00 H new ATOM 1777 N VAL A 119 23.240 2.662 -5.951 1.00 0.00 N ATOM 1778 CA VAL A 119 21.808 2.724 -6.340 1.00 0.00 C ATOM 1779 C VAL A 119 20.988 1.643 -5.618 1.00 0.00 C ATOM 1780 O VAL A 119 19.931 1.946 -5.064 1.00 0.00 O ATOM 1781 CB VAL A 119 21.615 2.599 -7.866 1.00 0.00 C ATOM 1782 CG1 VAL A 119 20.140 2.694 -8.241 1.00 0.00 C ATOM 1783 CG2 VAL A 119 22.311 3.719 -8.641 1.00 0.00 C ATOM 0 H VAL A 119 23.880 2.600 -6.743 1.00 0.00 H new ATOM 0 HA VAL A 119 21.445 3.705 -6.035 1.00 0.00 H new ATOM 0 HB VAL A 119 22.043 1.631 -8.127 1.00 0.00 H new ATOM 0 HG11 VAL A 119 20.033 2.603 -9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 119 19.588 1.891 -7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 119 19.743 3.656 -7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 119 22.142 3.582 -9.709 1.00 0.00 H new ATOM 0 HG22 VAL A 119 21.906 4.682 -8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 119 23.381 3.692 -8.436 1.00 0.00 H new ATOM 1793 N LYS A 120 21.508 0.407 -5.558 1.00 0.00 N ATOM 1794 CA LYS A 120 20.903 -0.699 -4.801 1.00 0.00 C ATOM 1795 C LYS A 120 20.732 -0.332 -3.327 1.00 0.00 C ATOM 1796 O LYS A 120 19.615 -0.386 -2.822 1.00 0.00 O ATOM 1797 CB LYS A 120 21.761 -1.967 -4.962 1.00 0.00 C ATOM 1798 CG LYS A 120 21.094 -3.175 -4.295 1.00 0.00 C ATOM 1799 CD LYS A 120 21.977 -4.427 -4.358 1.00 0.00 C ATOM 1800 CE LYS A 120 21.193 -5.619 -3.787 1.00 0.00 C ATOM 1801 NZ LYS A 120 22.066 -6.812 -3.576 1.00 0.00 N ATOM 0 H LYS A 120 22.369 0.145 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 120 19.908 -0.895 -5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 120 21.916 -2.173 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 120 22.745 -1.802 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 120 20.874 -2.939 -3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 120 20.141 -3.379 -4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 120 22.272 -4.629 -5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 120 22.893 -4.271 -3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 120 20.736 -5.332 -2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 120 20.382 -5.879 -4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 21.499 -7.593 -3.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 22.483 -7.102 -4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 22.826 -6.572 -2.907 1.00 0.00 H new ATOM 1815 N GLU A 121 21.804 0.078 -2.647 1.00 0.00 N ATOM 1816 CA GLU A 121 21.745 0.357 -1.205 1.00 0.00 C ATOM 1817 C GLU A 121 20.845 1.541 -0.871 1.00 0.00 C ATOM 1818 O GLU A 121 20.083 1.452 0.089 1.00 0.00 O ATOM 1819 CB GLU A 121 23.151 0.435 -0.570 1.00 0.00 C ATOM 1820 CG GLU A 121 23.788 1.830 -0.510 1.00 0.00 C ATOM 1821 CD GLU A 121 25.195 1.765 0.120 1.00 0.00 C ATOM 1822 OE1 GLU A 121 25.298 1.714 1.372 1.00 0.00 O ATOM 1823 OE2 GLU A 121 26.206 1.779 -0.623 1.00 0.00 O ATOM 0 H GLU A 121 22.722 0.225 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 121 21.262 -0.499 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.092 0.041 0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 121 23.817 -0.223 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.854 2.248 -1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.155 2.499 0.073 1.00 0.00 H new ATOM 1830 N ARG A 122 20.822 2.604 -1.689 1.00 0.00 N ATOM 1831 CA ARG A 122 19.908 3.734 -1.455 1.00 0.00 C ATOM 1832 C ARG A 122 18.453 3.289 -1.579 1.00 0.00 C ATOM 1833 O ARG A 122 17.673 3.578 -0.677 1.00 0.00 O ATOM 1834 CB ARG A 122 20.237 4.923 -2.382 1.00 0.00 C ATOM 1835 CG ARG A 122 21.656 5.508 -2.239 1.00 0.00 C ATOM 1836 CD ARG A 122 22.111 5.764 -0.798 1.00 0.00 C ATOM 1837 NE ARG A 122 23.347 6.577 -0.757 1.00 0.00 N ATOM 1838 CZ ARG A 122 23.940 7.060 0.324 1.00 0.00 C ATOM 1839 NH1 ARG A 122 23.463 6.869 1.520 1.00 0.00 N ATOM 1840 NH2 ARG A 122 25.037 7.752 0.224 1.00 0.00 N ATOM 0 H ARG A 122 21.419 2.706 -2.510 1.00 0.00 H new ATOM 0 HA ARG A 122 20.053 4.085 -0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 122 20.097 4.604 -3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 122 19.515 5.718 -2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 122 22.363 4.826 -2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 122 21.703 6.447 -2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.319 6.275 -0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 122 22.283 4.812 -0.295 1.00 0.00 H new ATOM 0 HE ARG A 122 23.787 6.787 -1.653 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.605 6.332 1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 122 23.947 7.256 2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 122 25.448 7.927 -0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 122 25.486 8.120 1.063 1.00 0.00 H new ATOM 1854 N VAL A 123 18.104 2.495 -2.594 1.00 0.00 N ATOM 1855 CA VAL A 123 16.771 1.887 -2.704 1.00 0.00 C ATOM 1856 C VAL A 123 16.443 0.952 -1.543 1.00 0.00 C ATOM 1857 O VAL A 123 15.393 1.140 -0.940 1.00 0.00 O ATOM 1858 CB VAL A 123 16.611 1.200 -4.076 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.482 0.169 -4.120 1.00 0.00 C ATOM 1860 CG2 VAL A 123 16.356 2.264 -5.148 1.00 0.00 C ATOM 0 H VAL A 123 18.732 2.255 -3.361 1.00 0.00 H new ATOM 0 HA VAL A 123 16.037 2.690 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 123 17.539 0.660 -4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.430 -0.272 -5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.675 -0.614 -3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 123 14.535 0.657 -3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 123 16.242 1.782 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 123 15.446 2.813 -4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 123 17.198 2.955 -5.182 1.00 0.00 H new ATOM 1870 N GLU A 124 17.298 0.000 -1.163 1.00 0.00 N ATOM 1871 CA GLU A 124 17.008 -0.895 -0.021 1.00 0.00 C ATOM 1872 C GLU A 124 16.786 -0.130 1.280 1.00 0.00 C ATOM 1873 O GLU A 124 15.894 -0.472 2.055 1.00 0.00 O ATOM 1874 CB GLU A 124 18.118 -1.930 0.190 1.00 0.00 C ATOM 1875 CG GLU A 124 18.220 -2.952 -0.932 1.00 0.00 C ATOM 1876 CD GLU A 124 19.239 -4.041 -0.538 1.00 0.00 C ATOM 1877 OE1 GLU A 124 20.465 -3.810 -0.658 1.00 0.00 O ATOM 1878 OE2 GLU A 124 18.816 -5.132 -0.083 1.00 0.00 O ATOM 0 H GLU A 124 18.193 -0.177 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 124 16.083 -1.409 -0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 124 19.072 -1.412 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.942 -2.452 1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 124 17.245 -3.401 -1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 124 18.530 -2.465 -1.856 1.00 0.00 H new ATOM 1885 N ASN A 125 17.529 0.961 1.483 1.00 0.00 N ATOM 1886 CA ASN A 125 17.381 1.782 2.679 1.00 0.00 C ATOM 1887 C ASN A 125 16.114 2.658 2.674 1.00 0.00 C ATOM 1888 O ASN A 125 15.662 3.107 3.726 1.00 0.00 O ATOM 1889 CB ASN A 125 18.685 2.565 2.928 1.00 0.00 C ATOM 1890 CG ASN A 125 18.536 4.075 2.974 1.00 0.00 C ATOM 1891 OD1 ASN A 125 18.511 4.695 4.025 1.00 0.00 O ATOM 1892 ND2 ASN A 125 18.401 4.698 1.826 1.00 0.00 N ATOM 0 H ASN A 125 18.239 1.294 0.831 1.00 0.00 H new ATOM 0 HA ASN A 125 17.220 1.121 3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.116 2.230 3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 125 19.398 2.310 2.144 1.00 0.00 H new ATOM 0 HD21 ASN A 125 18.274 5.710 1.807 1.00 0.00 H new ATOM 0 HD22 ASN A 125 18.423 4.170 0.954 1.00 0.00 H new ATOM 1899 N LEU A 126 15.556 2.900 1.489 1.00 0.00 N ATOM 1900 CA LEU A 126 14.344 3.682 1.272 1.00 0.00 C ATOM 1901 C LEU A 126 13.089 2.807 1.327 1.00 0.00 C ATOM 1902 O LEU A 126 12.158 3.137 2.051 1.00 0.00 O ATOM 1903 CB LEU A 126 14.523 4.420 -0.068 1.00 0.00 C ATOM 1904 CG LEU A 126 13.295 5.200 -0.552 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.955 6.367 0.372 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.560 5.708 -1.963 1.00 0.00 C ATOM 0 H LEU A 126 15.953 2.542 0.621 1.00 0.00 H new ATOM 0 HA LEU A 126 14.196 4.412 2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.360 5.112 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.796 3.692 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 126 12.437 4.528 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 126 12.079 6.890 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.744 5.989 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.799 7.055 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 126 12.693 6.265 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.433 6.361 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.744 4.862 -2.626 1.00 0.00 H new ATOM 1918 N ILE A 127 13.054 1.664 0.637 1.00 0.00 N ATOM 1919 CA ILE A 127 11.847 0.814 0.619 1.00 0.00 C ATOM 1920 C ILE A 127 11.505 0.240 1.992 1.00 0.00 C ATOM 1921 O ILE A 127 10.328 0.062 2.288 1.00 0.00 O ATOM 1922 CB ILE A 127 11.932 -0.312 -0.436 1.00 0.00 C ATOM 1923 CG1 ILE A 127 13.115 -1.278 -0.198 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.956 0.333 -1.838 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.359 -2.284 -1.326 1.00 0.00 C ATOM 0 H ILE A 127 13.834 1.304 0.088 1.00 0.00 H new ATOM 0 HA ILE A 127 11.032 1.478 0.332 1.00 0.00 H new ATOM 0 HB ILE A 127 11.050 -0.946 -0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 127 14.022 -0.691 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.938 -1.827 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.016 -0.447 -2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.046 0.914 -1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.823 0.988 -1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.208 -2.919 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.471 -2.902 -1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.572 -1.749 -2.251 1.00 0.00 H new ATOM 1937 N ALA A 128 12.502 0.045 2.863 1.00 0.00 N ATOM 1938 CA ALA A 128 12.255 -0.388 4.235 1.00 0.00 C ATOM 1939 C ALA A 128 11.565 0.698 5.103 1.00 0.00 C ATOM 1940 O ALA A 128 10.979 0.374 6.140 1.00 0.00 O ATOM 1941 CB ALA A 128 13.593 -0.833 4.839 1.00 0.00 C ATOM 0 H ALA A 128 13.487 0.182 2.637 1.00 0.00 H new ATOM 0 HA ALA A 128 11.551 -1.220 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.437 -1.162 5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.001 -1.656 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.293 0.003 4.828 1.00 0.00 H new ATOM 1947 N LYS A 129 11.606 1.974 4.675 1.00 0.00 N ATOM 1948 CA LYS A 129 10.927 3.107 5.334 1.00 0.00 C ATOM 1949 C LYS A 129 9.491 3.319 4.833 1.00 0.00 C ATOM 1950 O LYS A 129 8.612 3.618 5.643 1.00 0.00 O ATOM 1951 CB LYS A 129 11.744 4.400 5.139 1.00 0.00 C ATOM 1952 CG LYS A 129 13.121 4.350 5.822 1.00 0.00 C ATOM 1953 CD LYS A 129 13.951 5.590 5.449 1.00 0.00 C ATOM 1954 CE LYS A 129 15.239 5.748 6.276 1.00 0.00 C ATOM 1955 NZ LYS A 129 16.145 4.567 6.175 1.00 0.00 N ATOM 0 H LYS A 129 12.124 2.253 3.842 1.00 0.00 H new ATOM 0 HA LYS A 129 10.863 2.861 6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.880 4.580 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.179 5.244 5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 129 12.996 4.301 6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.651 3.446 5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.213 5.536 4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.335 6.480 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.772 6.638 5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 129 14.976 5.909 7.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.135 4.887 6.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.979 3.932 6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.954 4.057 5.289 1.00 0.00 H new ATOM 1969 N ILE A 130 9.253 3.174 3.519 1.00 0.00 N ATOM 1970 CA ILE A 130 7.981 3.557 2.866 1.00 0.00 C ATOM 1971 C ILE A 130 7.046 2.410 2.440 1.00 0.00 C ATOM 1972 O ILE A 130 5.961 2.695 1.933 1.00 0.00 O ATOM 1973 CB ILE A 130 8.201 4.615 1.756 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.140 4.217 0.596 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.742 5.902 2.397 1.00 0.00 C ATOM 1976 CD1 ILE A 130 8.665 3.030 -0.241 1.00 0.00 C ATOM 0 H ILE A 130 9.939 2.786 2.872 1.00 0.00 H new ATOM 0 HA ILE A 130 7.408 4.023 3.668 1.00 0.00 H new ATOM 0 HB ILE A 130 7.220 4.738 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.267 5.078 -0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.122 3.983 1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 130 8.901 6.654 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.022 6.276 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.687 5.690 2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.390 2.827 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.567 2.151 0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 130 7.699 3.263 -0.688 1.00 0.00 H new ATOM 1988 N SER A 131 7.412 1.137 2.640 1.00 0.00 N ATOM 1989 CA SER A 131 6.537 -0.014 2.329 1.00 0.00 C ATOM 1990 C SER A 131 5.211 -0.017 3.110 1.00 0.00 C ATOM 1991 O SER A 131 5.243 0.040 4.364 1.00 0.00 O ATOM 1992 CB SER A 131 7.288 -1.329 2.519 1.00 0.00 C ATOM 1993 OG SER A 131 7.799 -1.441 3.838 1.00 0.00 O ATOM 1994 OXT SER A 131 4.145 -0.105 2.454 1.00 0.00 O ATOM 0 H SER A 131 8.320 0.871 3.021 1.00 0.00 H new ATOM 0 HA SER A 131 6.260 0.092 1.280 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.620 -2.165 2.312 1.00 0.00 H new ATOM 0 HB3 SER A 131 8.107 -1.390 1.802 1.00 0.00 H new ATOM 0 HG SER A 131 7.203 -0.974 4.460 1.00 0.00 H new TER 2000 SER A 131