USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 849 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 48 THR OG1 : rot -94:sc= 1.02 USER MOD Set 1.2: A 53 ASN : amide:sc= -0.848! X(o=0.17!,f=0.21) USER MOD Set 2.1: A 39 LYS NZ :NH3+ 169:sc= 0.46 (180deg=-0.679) USER MOD Set 2.2: A 43 SER OG : rot 180:sc= 0.475 USER MOD Single : A 1 GLN : amide:sc= -2.14 K(o=-2.1,f=-4.6!) USER MOD Single : A 1 GLN N :NH3+ -159:sc= -0.0723 (180deg=-0.655) USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.12) USER MOD Single : A 19 ASN : amide:sc= -0.558 K(o=-0.56,f=-5.2!) USER MOD Single : A 22 TYR OH : rot -137:sc= -1.03 USER MOD Single : A 23 LYS NZ :NH3+ -134:sc= 1.33 (180deg=0.575) USER MOD Single : A 24 SER OG : rot 70:sc= 1.2 USER MOD Single : A 31 ASN : amide:sc= -2.84! X(o=-2.8!,f=-3.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -170:sc= -0.35 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -146:sc= -0.979 (180deg=-3.13!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0.915 USER MOD Single : A 62 THR OG1 : rot 175:sc= 0.332 USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00853) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.098 USER MOD Single : A 68 LYS NZ :NH3+ -140:sc= -0.7 (180deg=-2.64!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -3.14! USER MOD Single : A 77 MET CE :methyl -176:sc= -0.722 (180deg=-0.755) USER MOD Single : A 78 SER OG : rot -30:sc= 0.108 USER MOD Single : A 80 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.23) USER MOD Single : A 81 MET CE :methyl 168:sc= -1.2 (180deg=-1.47) USER MOD Single : A 84 MET CE :methyl 149:sc= -3.03! (180deg=-4.57!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -144:sc= 1.25 (180deg=1.1) USER MOD Single : A 92 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0189) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -1.58! C(o=-1.6!,f=-6.6!) USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -0.0514 (180deg=-0.271) USER MOD Single : A 102 TYR OH : rot -11:sc= 0.02 USER MOD Single : A 104 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.159) USER MOD Single : A 105 THR OG1 : rot 49:sc= 0.604 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -1.414 -4.018 15.360 1.00 0.00 N ATOM 2 CA GLN A 1 -1.786 -3.236 14.158 1.00 0.00 C ATOM 3 C GLN A 1 -2.540 -1.977 14.570 1.00 0.00 C ATOM 4 O GLN A 1 -3.352 -2.016 15.496 1.00 0.00 O ATOM 5 CB GLN A 1 -2.639 -4.093 13.222 1.00 0.00 C ATOM 6 CG GLN A 1 -1.958 -5.396 12.832 1.00 0.00 C ATOM 7 CD GLN A 1 -2.814 -6.294 11.960 1.00 0.00 C ATOM 8 OE1 GLN A 1 -2.293 -7.030 11.126 1.00 0.00 O ATOM 9 NE2 GLN A 1 -4.121 -6.255 12.153 1.00 0.00 N ATOM 0 H1 GLN A 1 -0.625 -4.655 15.129 1.00 0.00 H new ATOM 0 H2 GLN A 1 -1.125 -3.370 16.120 1.00 0.00 H new ATOM 0 H3 GLN A 1 -2.231 -4.579 15.675 1.00 0.00 H new ATOM 0 HA GLN A 1 -0.881 -2.940 13.628 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -3.590 -4.316 13.706 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -2.866 -3.523 12.321 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -1.032 -5.168 12.304 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -1.684 -5.938 13.737 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -4.514 -5.629 12.856 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -4.736 -6.851 11.599 1.00 0.00 H new ATOM 20 N GLU A 2 -2.251 -0.868 13.880 1.00 0.00 N ATOM 21 CA GLU A 2 -2.777 0.467 14.213 1.00 0.00 C ATOM 22 C GLU A 2 -2.205 1.003 15.520 1.00 0.00 C ATOM 23 O GLU A 2 -1.714 2.131 15.586 1.00 0.00 O ATOM 24 CB GLU A 2 -4.310 0.491 14.260 1.00 0.00 C ATOM 25 CG GLU A 2 -4.972 0.346 12.899 1.00 0.00 C ATOM 26 CD GLU A 2 -6.464 0.599 12.961 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.221 -0.343 13.268 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.889 1.748 12.724 1.00 0.00 O ATOM 0 H GLU A 2 -1.638 -0.869 13.064 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.452 1.124 13.406 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.656 -0.314 14.909 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.635 1.428 14.713 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.515 1.045 12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.791 -0.657 12.513 1.00 0.00 H new ATOM 35 N ALA A 3 -2.272 0.184 16.537 1.00 0.00 N ATOM 36 CA ALA A 3 -1.820 0.552 17.868 1.00 0.00 C ATOM 37 C ALA A 3 -0.301 0.633 17.942 1.00 0.00 C ATOM 38 O ALA A 3 0.405 -0.105 17.252 1.00 0.00 O ATOM 39 CB ALA A 3 -2.353 -0.433 18.898 1.00 0.00 C ATOM 0 H ALA A 3 -2.643 -0.764 16.472 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.213 1.544 18.091 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.006 -0.145 19.890 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.443 -0.426 18.878 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.992 -1.435 18.664 1.00 0.00 H new ATOM 45 N GLY A 4 0.191 1.526 18.786 1.00 0.00 N ATOM 46 CA GLY A 4 1.617 1.748 18.898 1.00 0.00 C ATOM 47 C GLY A 4 1.998 3.136 18.429 1.00 0.00 C ATOM 48 O GLY A 4 3.055 3.332 17.822 1.00 0.00 O ATOM 0 H GLY A 4 -0.379 2.107 19.402 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.927 1.614 19.934 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.150 1.003 18.307 1.00 0.00 H new ATOM 52 N GLY A 5 1.128 4.099 18.711 1.00 0.00 N ATOM 53 CA GLY A 5 1.343 5.461 18.261 1.00 0.00 C ATOM 54 C GLY A 5 1.199 5.592 16.760 1.00 0.00 C ATOM 55 O GLY A 5 1.843 6.441 16.143 1.00 0.00 O ATOM 0 H GLY A 5 0.272 3.959 19.247 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.629 6.122 18.753 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.339 5.788 18.560 1.00 0.00 H new ATOM 59 N ARG A 6 0.343 4.746 16.181 1.00 0.00 N ATOM 60 CA ARG A 6 0.144 4.696 14.733 1.00 0.00 C ATOM 61 C ARG A 6 1.471 4.430 14.024 1.00 0.00 C ATOM 62 O ARG A 6 1.993 5.290 13.316 1.00 0.00 O ATOM 63 CB ARG A 6 -0.476 6.003 14.221 1.00 0.00 C ATOM 64 CG ARG A 6 -1.791 6.362 14.890 1.00 0.00 C ATOM 65 CD ARG A 6 -2.902 5.399 14.510 1.00 0.00 C ATOM 66 NE ARG A 6 -3.407 5.633 13.155 1.00 0.00 N ATOM 67 CZ ARG A 6 -4.541 5.117 12.692 1.00 0.00 C ATOM 68 NH1 ARG A 6 -5.259 4.299 13.449 1.00 0.00 N ATOM 69 NH2 ARG A 6 -4.967 5.426 11.479 1.00 0.00 N ATOM 0 H ARG A 6 -0.228 4.080 16.701 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.544 3.880 14.512 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.233 6.816 14.376 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.637 5.921 13.146 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.661 6.357 15.972 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.077 7.375 14.608 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.533 4.376 14.585 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.722 5.496 15.222 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.858 6.225 12.532 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.942 4.064 14.389 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.129 3.905 13.091 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.425 6.063 10.895 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.838 5.028 11.127 1.00 0.00 H new ATOM 83 N PRO A 7 2.027 3.219 14.187 1.00 0.00 N ATOM 84 CA PRO A 7 3.335 2.876 13.671 1.00 0.00 C ATOM 85 C PRO A 7 3.245 2.280 12.276 1.00 0.00 C ATOM 86 O PRO A 7 3.767 1.197 12.013 1.00 0.00 O ATOM 87 CB PRO A 7 3.833 1.840 14.679 1.00 0.00 C ATOM 88 CG PRO A 7 2.601 1.226 15.275 1.00 0.00 C ATOM 89 CD PRO A 7 1.416 2.066 14.853 1.00 0.00 C ATOM 0 HA PRO A 7 3.994 3.738 13.570 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.450 1.085 14.192 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.449 2.307 15.448 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.482 0.198 14.932 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.678 1.193 16.362 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.756 1.518 14.180 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.816 2.371 15.710 1.00 0.00 H new ATOM 97 N GLY A 8 2.556 2.989 11.390 1.00 0.00 N ATOM 98 CA GLY A 8 2.425 2.529 10.026 1.00 0.00 C ATOM 99 C GLY A 8 3.758 2.530 9.328 1.00 0.00 C ATOM 100 O GLY A 8 4.054 1.662 8.508 1.00 0.00 O ATOM 0 H GLY A 8 2.088 3.872 11.594 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.006 1.523 10.016 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.728 3.170 9.487 1.00 0.00 H new ATOM 104 N ALA A 9 4.567 3.507 9.704 1.00 0.00 N ATOM 105 CA ALA A 9 5.884 3.715 9.144 1.00 0.00 C ATOM 106 C ALA A 9 6.552 4.862 9.886 1.00 0.00 C ATOM 107 O ALA A 9 6.453 4.956 11.108 1.00 0.00 O ATOM 108 CB ALA A 9 5.795 4.015 7.649 1.00 0.00 C ATOM 0 H ALA A 9 4.318 4.188 10.421 1.00 0.00 H new ATOM 0 HA ALA A 9 6.479 2.809 9.260 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.797 4.168 7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.324 3.176 7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.201 4.915 7.493 1.00 0.00 H new ATOM 114 N ASP A 10 7.196 5.740 9.150 1.00 0.00 N ATOM 115 CA ASP A 10 7.760 6.952 9.716 1.00 0.00 C ATOM 116 C ASP A 10 7.135 8.115 8.986 1.00 0.00 C ATOM 117 O ASP A 10 6.570 9.024 9.590 1.00 0.00 O ATOM 118 CB ASP A 10 9.279 6.980 9.548 1.00 0.00 C ATOM 119 CG ASP A 10 9.912 8.192 10.203 1.00 0.00 C ATOM 120 OD1 ASP A 10 9.876 9.292 9.609 1.00 0.00 O ATOM 121 OD2 ASP A 10 10.466 8.047 11.311 1.00 0.00 O ATOM 0 H ASP A 10 7.345 5.638 8.146 1.00 0.00 H new ATOM 0 HA ASP A 10 7.552 7.002 10.785 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.706 6.074 9.978 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.524 6.975 8.486 1.00 0.00 H new ATOM 126 N CYS A 11 7.231 8.031 7.671 1.00 0.00 N ATOM 127 CA CYS A 11 6.560 8.932 6.754 1.00 0.00 C ATOM 128 C CYS A 11 5.064 8.953 7.037 1.00 0.00 C ATOM 129 O CYS A 11 4.330 8.118 6.532 1.00 0.00 O ATOM 130 CB CYS A 11 6.814 8.425 5.346 1.00 0.00 C ATOM 131 SG CYS A 11 8.481 7.722 5.140 1.00 0.00 S ATOM 0 H CYS A 11 7.790 7.319 7.202 1.00 0.00 H new ATOM 0 HA CYS A 11 6.940 9.947 6.872 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.071 7.666 5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.680 9.245 4.640 1.00 0.00 H new ATOM 136 N GLU A 12 4.641 9.929 7.824 1.00 0.00 N ATOM 137 CA GLU A 12 3.298 9.990 8.409 1.00 0.00 C ATOM 138 C GLU A 12 2.178 9.570 7.447 1.00 0.00 C ATOM 139 O GLU A 12 1.425 8.644 7.741 1.00 0.00 O ATOM 140 CB GLU A 12 3.047 11.418 8.891 1.00 0.00 C ATOM 141 CG GLU A 12 1.824 11.576 9.776 1.00 0.00 C ATOM 142 CD GLU A 12 2.014 10.969 11.150 1.00 0.00 C ATOM 143 OE1 GLU A 12 3.174 10.741 11.556 1.00 0.00 O ATOM 144 OE2 GLU A 12 1.002 10.727 11.837 1.00 0.00 O ATOM 0 H GLU A 12 5.229 10.721 8.084 1.00 0.00 H new ATOM 0 HA GLU A 12 3.272 9.274 9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.924 11.763 9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.938 12.068 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.591 12.636 9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.967 11.107 9.292 1.00 0.00 H new ATOM 151 N VAL A 13 2.067 10.247 6.310 1.00 0.00 N ATOM 152 CA VAL A 13 0.976 9.983 5.370 1.00 0.00 C ATOM 153 C VAL A 13 1.014 8.539 4.871 1.00 0.00 C ATOM 154 O VAL A 13 0.020 7.814 4.942 1.00 0.00 O ATOM 155 CB VAL A 13 1.030 10.941 4.162 1.00 0.00 C ATOM 156 CG1 VAL A 13 -0.182 10.753 3.263 1.00 0.00 C ATOM 157 CG2 VAL A 13 1.130 12.380 4.631 1.00 0.00 C ATOM 0 H VAL A 13 2.713 10.979 6.015 1.00 0.00 H new ATOM 0 HA VAL A 13 0.044 10.149 5.911 1.00 0.00 H new ATOM 0 HB VAL A 13 1.920 10.704 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.119 11.440 2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.206 9.727 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.091 10.956 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.167 13.043 3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.260 12.626 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.035 12.507 5.225 1.00 0.00 H new ATOM 167 N CYS A 14 2.174 8.137 4.376 1.00 0.00 N ATOM 168 CA CYS A 14 2.392 6.775 3.902 1.00 0.00 C ATOM 169 C CYS A 14 2.225 5.776 5.048 1.00 0.00 C ATOM 170 O CYS A 14 1.701 4.677 4.864 1.00 0.00 O ATOM 171 CB CYS A 14 3.790 6.688 3.286 1.00 0.00 C ATOM 172 SG CYS A 14 4.449 5.006 3.085 1.00 0.00 S ATOM 0 H CYS A 14 2.991 8.742 4.291 1.00 0.00 H new ATOM 0 HA CYS A 14 1.652 6.522 3.143 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.769 7.171 2.309 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.479 7.258 3.909 1.00 0.00 H new ATOM 177 N LYS A 15 2.649 6.194 6.232 1.00 0.00 N ATOM 178 CA LYS A 15 2.530 5.403 7.446 1.00 0.00 C ATOM 179 C LYS A 15 1.074 5.013 7.699 1.00 0.00 C ATOM 180 O LYS A 15 0.756 3.835 7.883 1.00 0.00 O ATOM 181 CB LYS A 15 3.097 6.221 8.629 1.00 0.00 C ATOM 182 CG LYS A 15 2.278 6.151 9.910 1.00 0.00 C ATOM 183 CD LYS A 15 2.581 7.303 10.856 1.00 0.00 C ATOM 184 CE LYS A 15 4.039 7.349 11.277 1.00 0.00 C ATOM 185 NZ LYS A 15 4.280 8.423 12.275 1.00 0.00 N ATOM 0 H LYS A 15 3.090 7.102 6.377 1.00 0.00 H new ATOM 0 HA LYS A 15 3.099 4.480 7.338 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.107 5.871 8.842 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.178 7.264 8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.217 6.159 9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.480 5.207 10.416 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.317 8.244 10.372 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.954 7.214 11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.328 6.386 11.699 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.667 7.515 10.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.269 8.385 12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.091 9.349 11.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.649 8.287 13.090 1.00 0.00 H new ATOM 199 N GLU A 16 0.206 6.012 7.699 1.00 0.00 N ATOM 200 CA GLU A 16 -1.218 5.802 7.898 1.00 0.00 C ATOM 201 C GLU A 16 -1.765 4.827 6.867 1.00 0.00 C ATOM 202 O GLU A 16 -2.450 3.864 7.211 1.00 0.00 O ATOM 203 CB GLU A 16 -1.961 7.134 7.811 1.00 0.00 C ATOM 204 CG GLU A 16 -1.726 8.035 9.008 1.00 0.00 C ATOM 205 CD GLU A 16 -2.276 7.430 10.286 1.00 0.00 C ATOM 206 OE1 GLU A 16 -3.514 7.314 10.402 1.00 0.00 O ATOM 207 OE2 GLU A 16 -1.480 7.056 11.170 1.00 0.00 O ATOM 0 H GLU A 16 0.468 6.988 7.561 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.370 5.375 8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.650 7.656 6.906 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.029 6.940 7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.657 8.216 9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.196 9.003 8.832 1.00 0.00 H new ATOM 214 N PHE A 17 -1.439 5.071 5.604 1.00 0.00 N ATOM 215 CA PHE A 17 -1.906 4.224 4.522 1.00 0.00 C ATOM 216 C PHE A 17 -1.477 2.776 4.745 1.00 0.00 C ATOM 217 O PHE A 17 -2.306 1.869 4.693 1.00 0.00 O ATOM 218 CB PHE A 17 -1.379 4.728 3.176 1.00 0.00 C ATOM 219 CG PHE A 17 -1.897 3.948 1.999 1.00 0.00 C ATOM 220 CD1 PHE A 17 -1.237 2.813 1.559 1.00 0.00 C ATOM 221 CD2 PHE A 17 -3.049 4.347 1.338 1.00 0.00 C ATOM 222 CE1 PHE A 17 -1.713 2.090 0.485 1.00 0.00 C ATOM 223 CE2 PHE A 17 -3.530 3.626 0.261 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.859 2.496 -0.165 1.00 0.00 C ATOM 0 H PHE A 17 -0.852 5.850 5.307 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.995 4.265 4.508 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.654 5.776 3.057 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.290 4.683 3.181 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.338 2.490 2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.576 5.230 1.668 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.188 1.206 0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.428 3.945 -0.246 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.232 1.931 -1.007 1.00 0.00 H new ATOM 234 N LEU A 18 -0.190 2.572 5.018 1.00 0.00 N ATOM 235 CA LEU A 18 0.360 1.229 5.157 1.00 0.00 C ATOM 236 C LEU A 18 -0.332 0.445 6.258 1.00 0.00 C ATOM 237 O LEU A 18 -0.865 -0.622 6.002 1.00 0.00 O ATOM 238 CB LEU A 18 1.860 1.275 5.459 1.00 0.00 C ATOM 239 CG LEU A 18 2.761 1.805 4.346 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.180 1.938 4.862 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.734 0.884 3.138 1.00 0.00 C ATOM 0 H LEU A 18 0.490 3.321 5.147 1.00 0.00 H new ATOM 0 HA LEU A 18 0.191 0.728 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.011 1.893 6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.188 0.267 5.713 1.00 0.00 H new ATOM 0 HG LEU A 18 2.390 2.782 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.822 2.316 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.198 2.631 5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.542 0.963 5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.384 1.285 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.084 -0.107 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.715 0.812 2.758 1.00 0.00 H new ATOM 253 N ASN A 19 -0.345 0.988 7.471 1.00 0.00 N ATOM 254 CA ASN A 19 -0.810 0.235 8.637 1.00 0.00 C ATOM 255 C ASN A 19 -2.301 -0.074 8.539 1.00 0.00 C ATOM 256 O ASN A 19 -2.737 -1.173 8.874 1.00 0.00 O ATOM 257 CB ASN A 19 -0.503 0.998 9.927 1.00 0.00 C ATOM 258 CG ASN A 19 -0.509 0.105 11.160 1.00 0.00 C ATOM 259 OD1 ASN A 19 -1.312 -0.817 11.281 1.00 0.00 O ATOM 260 ND2 ASN A 19 0.412 0.358 12.074 1.00 0.00 N ATOM 0 H ASN A 19 -0.042 1.940 7.675 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.273 -0.713 8.658 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.472 1.477 9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.238 1.793 10.057 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.472 -0.221 12.912 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.063 1.132 11.941 1.00 0.00 H new ATOM 267 N ARG A 20 -3.080 0.885 8.058 1.00 0.00 N ATOM 268 CA ARG A 20 -4.518 0.685 7.914 1.00 0.00 C ATOM 269 C ARG A 20 -4.810 -0.349 6.826 1.00 0.00 C ATOM 270 O ARG A 20 -5.731 -1.148 6.953 1.00 0.00 O ATOM 271 CB ARG A 20 -5.216 2.010 7.608 1.00 0.00 C ATOM 272 CG ARG A 20 -5.000 3.062 8.689 1.00 0.00 C ATOM 273 CD ARG A 20 -5.604 4.406 8.313 1.00 0.00 C ATOM 274 NE ARG A 20 -5.087 4.903 7.040 1.00 0.00 N ATOM 275 CZ ARG A 20 -5.307 6.126 6.566 1.00 0.00 C ATOM 276 NH1 ARG A 20 -5.977 7.018 7.285 1.00 0.00 N ATOM 277 NH2 ARG A 20 -4.832 6.463 5.375 1.00 0.00 N ATOM 0 H ARG A 20 -2.746 1.802 7.763 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.910 0.305 8.857 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.850 2.395 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.285 1.832 7.491 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.442 2.716 9.623 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.931 3.183 8.867 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.688 4.311 8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.391 5.131 9.098 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.519 4.270 6.477 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.328 6.768 8.209 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.141 7.954 6.913 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.301 5.786 4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.998 7.399 5.006 1.00 0.00 H new ATOM 291 N PHE A 21 -4.008 -0.338 5.769 1.00 0.00 N ATOM 292 CA PHE A 21 -4.105 -1.339 4.709 1.00 0.00 C ATOM 293 C PHE A 21 -3.654 -2.695 5.248 1.00 0.00 C ATOM 294 O PHE A 21 -4.311 -3.720 5.059 1.00 0.00 O ATOM 295 CB PHE A 21 -3.213 -0.908 3.538 1.00 0.00 C ATOM 296 CG PHE A 21 -3.176 -1.865 2.383 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.293 -2.070 1.594 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.009 -2.545 2.078 1.00 0.00 C ATOM 299 CE1 PHE A 21 -4.248 -2.937 0.521 1.00 0.00 C ATOM 300 CE2 PHE A 21 -1.957 -3.414 1.009 1.00 0.00 C ATOM 301 CZ PHE A 21 -3.077 -3.610 0.229 1.00 0.00 C ATOM 0 H PHE A 21 -3.277 0.358 5.621 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.136 -1.424 4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.557 0.061 3.176 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.197 -0.768 3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.210 -1.546 1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.129 -2.393 2.685 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.126 -3.089 -0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.041 -3.940 0.783 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.039 -4.289 -0.610 1.00 0.00 H new ATOM 311 N TYR A 22 -2.527 -2.644 5.938 1.00 0.00 N ATOM 312 CA TYR A 22 -1.903 -3.777 6.605 1.00 0.00 C ATOM 313 C TYR A 22 -2.913 -4.557 7.450 1.00 0.00 C ATOM 314 O TYR A 22 -3.065 -5.765 7.285 1.00 0.00 O ATOM 315 CB TYR A 22 -0.767 -3.194 7.459 1.00 0.00 C ATOM 316 CG TYR A 22 0.017 -4.137 8.337 1.00 0.00 C ATOM 317 CD1 TYR A 22 1.071 -4.887 7.832 1.00 0.00 C ATOM 318 CD2 TYR A 22 -0.253 -4.213 9.695 1.00 0.00 C ATOM 319 CE1 TYR A 22 1.831 -5.690 8.660 1.00 0.00 C ATOM 320 CE2 TYR A 22 0.494 -5.019 10.525 1.00 0.00 C ATOM 321 CZ TYR A 22 1.535 -5.752 10.008 1.00 0.00 C ATOM 322 OH TYR A 22 2.290 -6.542 10.845 1.00 0.00 O ATOM 0 H TYR A 22 -2.000 -1.778 6.054 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.515 -4.497 5.884 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.064 -2.701 6.787 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.193 -2.420 8.098 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.300 -4.842 6.777 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.063 -3.630 10.109 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.651 -6.265 8.256 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.262 -5.075 11.578 1.00 0.00 H new ATOM 0 HH TYR A 22 1.699 -7.024 11.461 1.00 0.00 H new ATOM 332 N LYS A 23 -3.627 -3.861 8.330 1.00 0.00 N ATOM 333 CA LYS A 23 -4.594 -4.517 9.206 1.00 0.00 C ATOM 334 C LYS A 23 -5.862 -4.925 8.452 1.00 0.00 C ATOM 335 O LYS A 23 -6.427 -5.984 8.713 1.00 0.00 O ATOM 336 CB LYS A 23 -4.920 -3.631 10.424 1.00 0.00 C ATOM 337 CG LYS A 23 -5.363 -2.208 10.100 1.00 0.00 C ATOM 338 CD LYS A 23 -6.841 -2.125 9.758 1.00 0.00 C ATOM 339 CE LYS A 23 -7.716 -2.447 10.956 1.00 0.00 C ATOM 340 NZ LYS A 23 -9.158 -2.444 10.600 1.00 0.00 N ATOM 0 H LYS A 23 -3.556 -2.851 8.456 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.136 -5.436 9.572 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.706 -4.115 11.003 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.038 -3.582 11.062 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.153 -1.562 10.953 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.777 -1.830 9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.075 -1.124 9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.066 -2.818 8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.442 -3.424 11.355 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.535 -1.718 11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.692 -1.913 11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.285 -1.995 9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.508 -3.423 10.562 1.00 0.00 H new ATOM 354 N SER A 24 -6.289 -4.104 7.497 1.00 0.00 N ATOM 355 CA SER A 24 -7.502 -4.384 6.728 1.00 0.00 C ATOM 356 C SER A 24 -7.346 -5.658 5.910 1.00 0.00 C ATOM 357 O SER A 24 -8.309 -6.394 5.688 1.00 0.00 O ATOM 358 CB SER A 24 -7.834 -3.203 5.811 1.00 0.00 C ATOM 359 OG SER A 24 -8.145 -2.048 6.569 1.00 0.00 O ATOM 0 H SER A 24 -5.815 -3.240 7.236 1.00 0.00 H new ATOM 0 HA SER A 24 -8.323 -4.528 7.430 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.987 -2.996 5.156 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.677 -3.461 5.170 1.00 0.00 H new ATOM 0 HG SER A 24 -7.333 -1.714 7.004 1.00 0.00 H new ATOM 365 N LEU A 25 -6.126 -5.923 5.482 1.00 0.00 N ATOM 366 CA LEU A 25 -5.840 -7.107 4.700 1.00 0.00 C ATOM 367 C LEU A 25 -5.815 -8.344 5.584 1.00 0.00 C ATOM 368 O LEU A 25 -6.047 -9.457 5.111 1.00 0.00 O ATOM 369 CB LEU A 25 -4.517 -6.938 3.964 1.00 0.00 C ATOM 370 CG LEU A 25 -4.608 -7.105 2.451 1.00 0.00 C ATOM 371 CD1 LEU A 25 -5.806 -6.341 1.905 1.00 0.00 C ATOM 372 CD2 LEU A 25 -3.324 -6.635 1.791 1.00 0.00 C ATOM 0 H LEU A 25 -5.316 -5.331 5.664 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.633 -7.240 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.118 -5.948 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.803 -7.664 4.354 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.744 -8.162 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.858 -6.470 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.720 -6.723 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.700 -5.282 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.403 -6.760 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.159 -5.583 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.486 -7.224 2.164 1.00 0.00 H new ATOM 384 N ILE A 26 -5.555 -8.144 6.868 1.00 0.00 N ATOM 385 CA ILE A 26 -5.578 -9.238 7.826 1.00 0.00 C ATOM 386 C ILE A 26 -7.009 -9.476 8.298 1.00 0.00 C ATOM 387 O ILE A 26 -7.427 -10.616 8.506 1.00 0.00 O ATOM 388 CB ILE A 26 -4.664 -8.953 9.039 1.00 0.00 C ATOM 389 CG1 ILE A 26 -3.239 -8.632 8.575 1.00 0.00 C ATOM 390 CG2 ILE A 26 -4.654 -10.136 9.998 1.00 0.00 C ATOM 391 CD1 ILE A 26 -2.571 -9.754 7.811 1.00 0.00 C ATOM 0 H ILE A 26 -5.326 -7.235 7.269 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.200 -10.131 7.328 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.062 -8.086 9.567 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.265 -7.743 7.945 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.631 -8.388 9.446 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.004 -9.913 10.844 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.666 -10.322 10.357 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.284 -11.021 9.480 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.567 -9.447 7.518 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.510 -10.639 8.444 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.154 -9.985 6.919 1.00 0.00 H new ATOM 403 N ASP A 27 -7.755 -8.383 8.453 1.00 0.00 N ATOM 404 CA ASP A 27 -9.185 -8.455 8.753 1.00 0.00 C ATOM 405 C ASP A 27 -9.904 -9.271 7.693 1.00 0.00 C ATOM 406 O ASP A 27 -10.603 -10.238 7.993 1.00 0.00 O ATOM 407 CB ASP A 27 -9.813 -7.058 8.788 1.00 0.00 C ATOM 408 CG ASP A 27 -9.579 -6.306 10.082 1.00 0.00 C ATOM 409 OD1 ASP A 27 -9.458 -6.948 11.146 1.00 0.00 O ATOM 410 OD2 ASP A 27 -9.552 -5.055 10.044 1.00 0.00 O ATOM 0 H ASP A 27 -7.391 -7.433 8.375 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.290 -8.926 9.731 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.413 -6.471 7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.886 -7.150 8.623 1.00 0.00 H new ATOM 415 N ARG A 28 -9.726 -8.862 6.446 1.00 0.00 N ATOM 416 CA ARG A 28 -10.386 -9.513 5.324 1.00 0.00 C ATOM 417 C ARG A 28 -9.693 -10.821 4.937 1.00 0.00 C ATOM 418 O ARG A 28 -10.289 -11.681 4.291 1.00 0.00 O ATOM 419 CB ARG A 28 -10.466 -8.559 4.129 1.00 0.00 C ATOM 420 CG ARG A 28 -11.305 -7.324 4.410 1.00 0.00 C ATOM 421 CD ARG A 28 -11.697 -6.586 3.139 1.00 0.00 C ATOM 422 NE ARG A 28 -10.551 -6.041 2.405 1.00 0.00 N ATOM 423 CZ ARG A 28 -10.242 -4.746 2.373 1.00 0.00 C ATOM 424 NH1 ARG A 28 -10.856 -3.888 3.178 1.00 0.00 N ATOM 425 NH2 ARG A 28 -9.297 -4.318 1.550 1.00 0.00 N ATOM 0 H ARG A 28 -9.127 -8.079 6.185 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.399 -9.768 5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.459 -8.251 3.849 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.886 -9.090 3.275 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.206 -7.616 4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.748 -6.650 5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.246 -7.266 2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.375 -5.772 3.395 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.957 -6.690 1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.570 -4.219 3.827 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.614 -2.898 3.148 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.810 -4.979 0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.056 -3.327 1.521 1.00 0.00 H new ATOM 439 N GLY A 29 -8.431 -10.961 5.337 1.00 0.00 N ATOM 440 CA GLY A 29 -7.703 -12.206 5.131 1.00 0.00 C ATOM 441 C GLY A 29 -7.355 -12.464 3.676 1.00 0.00 C ATOM 442 O GLY A 29 -7.216 -13.613 3.261 1.00 0.00 O ATOM 0 H GLY A 29 -7.895 -10.229 5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.785 -12.184 5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.302 -13.036 5.507 1.00 0.00 H new ATOM 446 N VAL A 30 -7.197 -11.395 2.910 1.00 0.00 N ATOM 447 CA VAL A 30 -6.939 -11.495 1.479 1.00 0.00 C ATOM 448 C VAL A 30 -5.453 -11.305 1.201 1.00 0.00 C ATOM 449 O VAL A 30 -5.000 -11.219 0.056 1.00 0.00 O ATOM 450 CB VAL A 30 -7.754 -10.423 0.723 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.082 -10.191 1.404 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.000 -9.113 0.622 1.00 0.00 C ATOM 0 H VAL A 30 -7.243 -10.438 3.259 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.240 -12.484 1.134 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.923 -10.798 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.643 -9.433 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.650 -11.121 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.913 -9.851 2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.606 -8.385 0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.786 -8.738 1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.064 -9.272 0.087 1.00 0.00 H new ATOM 462 N ASN A 31 -4.706 -11.302 2.277 1.00 0.00 N ATOM 463 CA ASN A 31 -3.338 -10.812 2.283 1.00 0.00 C ATOM 464 C ASN A 31 -2.328 -11.902 1.929 1.00 0.00 C ATOM 465 O ASN A 31 -1.123 -11.693 2.000 1.00 0.00 O ATOM 466 CB ASN A 31 -3.056 -10.229 3.669 1.00 0.00 C ATOM 467 CG ASN A 31 -1.722 -9.523 3.789 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.135 -9.477 4.868 1.00 0.00 O ATOM 469 ND2 ASN A 31 -1.225 -8.978 2.691 1.00 0.00 N ATOM 0 H ASN A 31 -5.027 -11.641 3.184 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.228 -10.045 1.516 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.850 -9.526 3.923 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.095 -11.033 4.403 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.325 -8.499 2.722 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.742 -9.037 1.814 1.00 0.00 H new ATOM 476 N PHE A 32 -2.807 -13.053 1.510 1.00 0.00 N ATOM 477 CA PHE A 32 -1.908 -14.152 1.200 1.00 0.00 C ATOM 478 C PHE A 32 -1.841 -14.378 -0.308 1.00 0.00 C ATOM 479 O PHE A 32 -1.268 -15.358 -0.782 1.00 0.00 O ATOM 480 CB PHE A 32 -2.351 -15.419 1.932 1.00 0.00 C ATOM 481 CG PHE A 32 -1.239 -16.405 2.160 1.00 0.00 C ATOM 482 CD1 PHE A 32 -0.255 -16.142 3.099 1.00 0.00 C ATOM 483 CD2 PHE A 32 -1.179 -17.590 1.446 1.00 0.00 C ATOM 484 CE1 PHE A 32 0.769 -17.041 3.322 1.00 0.00 C ATOM 485 CE2 PHE A 32 -0.156 -18.494 1.663 1.00 0.00 C ATOM 486 CZ PHE A 32 0.819 -18.220 2.603 1.00 0.00 C ATOM 0 H PHE A 32 -3.798 -13.255 1.376 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.906 -13.896 1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.781 -15.141 2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.141 -15.902 1.358 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.289 -15.222 3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.940 -17.810 0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.530 -16.823 4.057 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.119 -19.414 1.098 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.618 -18.926 2.775 1.00 0.00 H new ATOM 496 N SER A 33 -2.441 -13.467 -1.061 1.00 0.00 N ATOM 497 CA SER A 33 -2.371 -13.513 -2.516 1.00 0.00 C ATOM 498 C SER A 33 -1.834 -12.187 -3.056 1.00 0.00 C ATOM 499 O SER A 33 -2.437 -11.134 -2.855 1.00 0.00 O ATOM 500 CB SER A 33 -3.757 -13.806 -3.086 1.00 0.00 C ATOM 501 OG SER A 33 -4.328 -14.943 -2.456 1.00 0.00 O ATOM 0 H SER A 33 -2.982 -12.686 -0.689 1.00 0.00 H new ATOM 0 HA SER A 33 -1.691 -14.308 -2.822 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.405 -12.941 -2.943 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.685 -13.977 -4.160 1.00 0.00 H new ATOM 0 HG SER A 33 -5.216 -15.114 -2.833 1.00 0.00 H new ATOM 507 N LEU A 34 -0.691 -12.254 -3.742 1.00 0.00 N ATOM 508 CA LEU A 34 0.016 -11.060 -4.212 1.00 0.00 C ATOM 509 C LEU A 34 -0.816 -10.246 -5.196 1.00 0.00 C ATOM 510 O LEU A 34 -0.819 -9.016 -5.143 1.00 0.00 O ATOM 511 CB LEU A 34 1.341 -11.446 -4.871 1.00 0.00 C ATOM 512 CG LEU A 34 2.377 -12.078 -3.944 1.00 0.00 C ATOM 513 CD1 LEU A 34 3.628 -12.441 -4.723 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.720 -11.135 -2.801 1.00 0.00 C ATOM 0 H LEU A 34 -0.232 -13.131 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 34 0.204 -10.441 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.133 -12.142 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.777 -10.554 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 34 1.952 -12.988 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.358 -12.891 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.374 -13.152 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.052 -11.542 -5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.460 -11.604 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.127 -10.208 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.820 -10.917 -2.227 1.00 0.00 H new ATOM 526 N ASP A 35 -1.507 -10.930 -6.100 1.00 0.00 N ATOM 527 CA ASP A 35 -2.351 -10.258 -7.088 1.00 0.00 C ATOM 528 C ASP A 35 -3.512 -9.572 -6.390 1.00 0.00 C ATOM 529 O ASP A 35 -4.027 -8.551 -6.847 1.00 0.00 O ATOM 530 CB ASP A 35 -2.885 -11.257 -8.120 1.00 0.00 C ATOM 531 CG ASP A 35 -4.030 -12.099 -7.589 1.00 0.00 C ATOM 532 OD1 ASP A 35 -3.768 -13.085 -6.873 1.00 0.00 O ATOM 533 OD2 ASP A 35 -5.197 -11.773 -7.883 1.00 0.00 O ATOM 0 H ASP A 35 -1.502 -11.947 -6.172 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.747 -9.515 -7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.219 -10.714 -9.004 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.074 -11.913 -8.436 1.00 0.00 H new ATOM 538 N THR A 36 -3.910 -10.142 -5.269 1.00 0.00 N ATOM 539 CA THR A 36 -4.988 -9.595 -4.481 1.00 0.00 C ATOM 540 C THR A 36 -4.513 -8.383 -3.697 1.00 0.00 C ATOM 541 O THR A 36 -5.197 -7.366 -3.659 1.00 0.00 O ATOM 542 CB THR A 36 -5.567 -10.666 -3.537 1.00 0.00 C ATOM 543 OG1 THR A 36 -5.972 -11.812 -4.301 1.00 0.00 O ATOM 544 CG2 THR A 36 -6.750 -10.133 -2.747 1.00 0.00 C ATOM 0 H THR A 36 -3.496 -10.991 -4.884 1.00 0.00 H new ATOM 0 HA THR A 36 -5.781 -9.274 -5.157 1.00 0.00 H new ATOM 0 HB THR A 36 -4.789 -10.947 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.481 -12.424 -3.729 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.132 -10.916 -2.092 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.432 -9.281 -2.147 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.535 -9.820 -3.435 1.00 0.00 H new ATOM 552 N ILE A 37 -3.322 -8.478 -3.114 1.00 0.00 N ATOM 553 CA ILE A 37 -2.725 -7.344 -2.427 1.00 0.00 C ATOM 554 C ILE A 37 -2.585 -6.177 -3.395 1.00 0.00 C ATOM 555 O ILE A 37 -2.752 -5.021 -3.017 1.00 0.00 O ATOM 556 CB ILE A 37 -1.341 -7.702 -1.850 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.459 -8.904 -0.913 1.00 0.00 C ATOM 558 CG2 ILE A 37 -0.742 -6.511 -1.113 1.00 0.00 C ATOM 559 CD1 ILE A 37 -0.126 -9.444 -0.455 1.00 0.00 C ATOM 0 H ILE A 37 -2.755 -9.326 -3.105 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.378 -7.067 -1.599 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.677 -7.962 -2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.045 -8.618 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.009 -9.697 -1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.235 -6.784 -0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.631 -5.675 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.401 -6.221 -0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.286 -10.295 0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.455 -9.762 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.417 -8.666 0.081 1.00 0.00 H new ATOM 571 N GLU A 38 -2.303 -6.501 -4.652 1.00 0.00 N ATOM 572 CA GLU A 38 -2.173 -5.496 -5.691 1.00 0.00 C ATOM 573 C GLU A 38 -3.495 -4.772 -5.913 1.00 0.00 C ATOM 574 O GLU A 38 -3.560 -3.545 -5.859 1.00 0.00 O ATOM 575 CB GLU A 38 -1.682 -6.130 -6.996 1.00 0.00 C ATOM 576 CG GLU A 38 -1.408 -5.120 -8.098 1.00 0.00 C ATOM 577 CD GLU A 38 -0.828 -5.754 -9.344 1.00 0.00 C ATOM 578 OE1 GLU A 38 0.402 -5.977 -9.389 1.00 0.00 O ATOM 579 OE2 GLU A 38 -1.599 -6.028 -10.290 1.00 0.00 O ATOM 0 H GLU A 38 -2.160 -7.458 -4.973 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.435 -4.764 -5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.770 -6.693 -6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.427 -6.844 -7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.336 -4.608 -8.354 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.718 -4.362 -7.727 1.00 0.00 H new ATOM 586 N LYS A 39 -4.555 -5.538 -6.130 1.00 0.00 N ATOM 587 CA LYS A 39 -5.868 -4.967 -6.391 1.00 0.00 C ATOM 588 C LYS A 39 -6.414 -4.256 -5.153 1.00 0.00 C ATOM 589 O LYS A 39 -7.067 -3.219 -5.259 1.00 0.00 O ATOM 590 CB LYS A 39 -6.836 -6.058 -6.857 1.00 0.00 C ATOM 591 CG LYS A 39 -8.238 -5.547 -7.143 1.00 0.00 C ATOM 592 CD LYS A 39 -8.212 -4.340 -8.065 1.00 0.00 C ATOM 593 CE LYS A 39 -9.597 -3.748 -8.244 1.00 0.00 C ATOM 594 NZ LYS A 39 -10.275 -3.510 -6.942 1.00 0.00 N ATOM 0 H LYS A 39 -4.531 -6.558 -6.130 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.767 -4.226 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.438 -6.524 -7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.890 -6.834 -6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.830 -6.341 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.728 -5.280 -6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.542 -3.583 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.811 -4.631 -9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.521 -2.808 -8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.203 -4.421 -8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.131 -2.939 -7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.538 -4.421 -6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.631 -3.002 -6.303 1.00 0.00 H new ATOM 608 N GLU A 40 -6.132 -4.810 -3.985 1.00 0.00 N ATOM 609 CA GLU A 40 -6.561 -4.210 -2.727 1.00 0.00 C ATOM 610 C GLU A 40 -5.834 -2.897 -2.492 1.00 0.00 C ATOM 611 O GLU A 40 -6.418 -1.933 -1.999 1.00 0.00 O ATOM 612 CB GLU A 40 -6.309 -5.165 -1.563 1.00 0.00 C ATOM 613 CG GLU A 40 -7.176 -6.407 -1.600 1.00 0.00 C ATOM 614 CD GLU A 40 -8.636 -6.103 -1.357 1.00 0.00 C ATOM 615 OE1 GLU A 40 -9.319 -5.642 -2.294 1.00 0.00 O ATOM 616 OE2 GLU A 40 -9.109 -6.315 -0.221 1.00 0.00 O ATOM 0 H GLU A 40 -5.606 -5.678 -3.879 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.631 -4.013 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.261 -5.463 -1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.485 -4.637 -0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.066 -6.894 -2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.825 -7.113 -0.847 1.00 0.00 H new ATOM 623 N LEU A 41 -4.558 -2.869 -2.858 1.00 0.00 N ATOM 624 CA LEU A 41 -3.758 -1.657 -2.771 1.00 0.00 C ATOM 625 C LEU A 41 -4.387 -0.580 -3.645 1.00 0.00 C ATOM 626 O LEU A 41 -4.404 0.600 -3.294 1.00 0.00 O ATOM 627 CB LEU A 41 -2.320 -1.948 -3.219 1.00 0.00 C ATOM 628 CG LEU A 41 -1.282 -0.884 -2.861 1.00 0.00 C ATOM 629 CD1 LEU A 41 -1.183 -0.720 -1.354 1.00 0.00 C ATOM 630 CD2 LEU A 41 0.075 -1.251 -3.442 1.00 0.00 C ATOM 0 H LEU A 41 -4.054 -3.679 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.730 -1.305 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.008 -2.895 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.317 -2.082 -4.301 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.601 0.065 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.439 0.041 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.151 -0.416 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.887 -1.667 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.803 -0.484 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.397 -2.211 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.001 -1.322 -4.527 1.00 0.00 H new ATOM 642 N ILE A 42 -4.929 -1.014 -4.775 1.00 0.00 N ATOM 643 CA ILE A 42 -5.650 -0.136 -5.682 1.00 0.00 C ATOM 644 C ILE A 42 -6.955 0.345 -5.046 1.00 0.00 C ATOM 645 O ILE A 42 -7.235 1.543 -5.011 1.00 0.00 O ATOM 646 CB ILE A 42 -5.962 -0.864 -7.007 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.664 -1.267 -7.709 1.00 0.00 C ATOM 648 CG2 ILE A 42 -6.819 0.003 -7.913 1.00 0.00 C ATOM 649 CD1 ILE A 42 -4.876 -2.090 -8.962 1.00 0.00 C ATOM 0 H ILE A 42 -4.880 -1.984 -5.087 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.016 0.726 -5.888 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.526 -1.768 -6.778 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.107 -0.366 -7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.047 -1.835 -7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.025 -0.532 -8.840 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.759 0.236 -7.412 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.289 0.929 -8.138 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.910 -2.337 -9.403 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.405 -3.009 -8.709 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.466 -1.518 -9.678 1.00 0.00 H new ATOM 661 N SER A 43 -7.739 -0.596 -4.531 1.00 0.00 N ATOM 662 CA SER A 43 -9.022 -0.286 -3.912 1.00 0.00 C ATOM 663 C SER A 43 -8.855 0.667 -2.730 1.00 0.00 C ATOM 664 O SER A 43 -9.627 1.615 -2.568 1.00 0.00 O ATOM 665 CB SER A 43 -9.699 -1.575 -3.448 1.00 0.00 C ATOM 666 OG SER A 43 -9.798 -2.504 -4.512 1.00 0.00 O ATOM 0 H SER A 43 -7.505 -1.589 -4.531 1.00 0.00 H new ATOM 0 HA SER A 43 -9.646 0.207 -4.657 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.131 -2.014 -2.628 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.693 -1.350 -3.062 1.00 0.00 H new ATOM 0 HG SER A 43 -10.233 -3.322 -4.193 1.00 0.00 H new ATOM 672 N PHE A 44 -7.842 0.417 -1.913 1.00 0.00 N ATOM 673 CA PHE A 44 -7.587 1.238 -0.740 1.00 0.00 C ATOM 674 C PHE A 44 -7.106 2.623 -1.171 1.00 0.00 C ATOM 675 O PHE A 44 -7.398 3.627 -0.525 1.00 0.00 O ATOM 676 CB PHE A 44 -6.548 0.562 0.160 1.00 0.00 C ATOM 677 CG PHE A 44 -6.733 0.855 1.623 1.00 0.00 C ATOM 678 CD1 PHE A 44 -6.210 2.007 2.187 1.00 0.00 C ATOM 679 CD2 PHE A 44 -7.431 -0.030 2.435 1.00 0.00 C ATOM 680 CE1 PHE A 44 -6.380 2.276 3.532 1.00 0.00 C ATOM 681 CE2 PHE A 44 -7.602 0.235 3.781 1.00 0.00 C ATOM 682 CZ PHE A 44 -7.077 1.388 4.329 1.00 0.00 C ATOM 0 H PHE A 44 -7.182 -0.350 -2.042 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.511 1.351 -0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.593 -0.516 0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.552 0.886 -0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.663 2.703 1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.844 -0.933 2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.969 3.179 3.959 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.146 -0.460 4.404 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.211 1.596 5.380 1.00 0.00 H new ATOM 692 N CYS A 45 -6.385 2.661 -2.285 1.00 0.00 N ATOM 693 CA CYS A 45 -5.918 3.913 -2.866 1.00 0.00 C ATOM 694 C CYS A 45 -7.077 4.737 -3.411 1.00 0.00 C ATOM 695 O CYS A 45 -7.029 5.964 -3.418 1.00 0.00 O ATOM 696 CB CYS A 45 -4.926 3.638 -3.995 1.00 0.00 C ATOM 697 SG CYS A 45 -4.688 5.051 -5.122 1.00 0.00 S ATOM 0 H CYS A 45 -6.109 1.830 -2.808 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.427 4.478 -2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.964 3.364 -3.562 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.273 2.780 -4.571 1.00 0.00 H new ATOM 702 N LEU A 46 -8.106 4.063 -3.886 1.00 0.00 N ATOM 703 CA LEU A 46 -9.238 4.740 -4.491 1.00 0.00 C ATOM 704 C LEU A 46 -10.250 5.175 -3.437 1.00 0.00 C ATOM 705 O LEU A 46 -10.927 6.189 -3.596 1.00 0.00 O ATOM 706 CB LEU A 46 -9.889 3.829 -5.528 1.00 0.00 C ATOM 707 CG LEU A 46 -11.098 4.413 -6.261 1.00 0.00 C ATOM 708 CD1 LEU A 46 -10.696 5.632 -7.078 1.00 0.00 C ATOM 709 CD2 LEU A 46 -11.733 3.357 -7.152 1.00 0.00 C ATOM 0 H LEU A 46 -8.182 3.046 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.879 5.641 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.136 3.556 -6.268 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.198 2.909 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.832 4.730 -5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.571 6.031 -7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.284 6.394 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.944 5.345 -7.813 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.592 3.785 -7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.004 3.013 -7.885 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.059 2.514 -6.542 1.00 0.00 H new ATOM 721 N ASP A 47 -10.348 4.417 -2.354 1.00 0.00 N ATOM 722 CA ASP A 47 -11.296 4.737 -1.292 1.00 0.00 C ATOM 723 C ASP A 47 -10.603 5.504 -0.168 1.00 0.00 C ATOM 724 O ASP A 47 -10.681 5.145 1.007 1.00 0.00 O ATOM 725 CB ASP A 47 -11.952 3.463 -0.758 1.00 0.00 C ATOM 726 CG ASP A 47 -13.144 3.758 0.133 1.00 0.00 C ATOM 727 OD1 ASP A 47 -14.104 4.397 -0.349 1.00 0.00 O ATOM 728 OD2 ASP A 47 -13.138 3.330 1.305 1.00 0.00 O ATOM 0 H ASP A 47 -9.788 3.581 -2.186 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.077 5.374 -1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.272 2.843 -1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.216 2.886 -0.198 1.00 0.00 H new ATOM 733 N THR A 48 -9.919 6.563 -0.551 1.00 0.00 N ATOM 734 CA THR A 48 -9.231 7.433 0.386 1.00 0.00 C ATOM 735 C THR A 48 -9.369 8.876 -0.076 1.00 0.00 C ATOM 736 O THR A 48 -10.137 9.158 -1.002 1.00 0.00 O ATOM 737 CB THR A 48 -7.741 7.059 0.508 1.00 0.00 C ATOM 738 OG1 THR A 48 -7.290 6.434 -0.697 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.503 6.126 1.686 1.00 0.00 C ATOM 0 H THR A 48 -9.823 6.847 -1.526 1.00 0.00 H new ATOM 0 HA THR A 48 -9.686 7.313 1.369 1.00 0.00 H new ATOM 0 HB THR A 48 -7.178 7.977 0.676 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.356 5.461 -0.605 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.443 5.880 1.747 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.815 6.617 2.608 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.081 5.212 1.549 1.00 0.00 H new ATOM 747 N LYS A 49 -8.640 9.789 0.542 1.00 0.00 N ATOM 748 CA LYS A 49 -8.723 11.189 0.156 1.00 0.00 C ATOM 749 C LYS A 49 -7.598 11.546 -0.794 1.00 0.00 C ATOM 750 O LYS A 49 -6.644 10.792 -0.928 1.00 0.00 O ATOM 751 CB LYS A 49 -8.704 12.115 1.379 1.00 0.00 C ATOM 752 CG LYS A 49 -9.869 11.906 2.342 1.00 0.00 C ATOM 753 CD LYS A 49 -9.706 10.644 3.173 1.00 0.00 C ATOM 754 CE LYS A 49 -10.834 10.472 4.173 1.00 0.00 C ATOM 755 NZ LYS A 49 -10.755 9.159 4.863 1.00 0.00 N ATOM 0 H LYS A 49 -7.991 9.591 1.304 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.675 11.333 -0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.769 11.965 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.712 13.150 1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.950 12.768 3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.800 11.850 1.777 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.671 9.777 2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.754 10.679 3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.794 11.274 4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.792 10.558 3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.541 9.074 5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.818 8.394 4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.851 9.088 5.372 1.00 0.00 H new ATOM 769 N GLY A 50 -7.725 12.702 -1.438 1.00 0.00 N ATOM 770 CA GLY A 50 -6.822 13.091 -2.511 1.00 0.00 C ATOM 771 C GLY A 50 -5.353 12.900 -2.195 1.00 0.00 C ATOM 772 O GLY A 50 -4.601 12.409 -3.037 1.00 0.00 O ATOM 0 H GLY A 50 -8.451 13.389 -1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.067 12.514 -3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.995 14.140 -2.753 1.00 0.00 H new ATOM 776 N LYS A 51 -4.940 13.274 -0.989 1.00 0.00 N ATOM 777 CA LYS A 51 -3.546 13.134 -0.585 1.00 0.00 C ATOM 778 C LYS A 51 -3.124 11.671 -0.604 1.00 0.00 C ATOM 779 O LYS A 51 -2.001 11.340 -0.971 1.00 0.00 O ATOM 780 CB LYS A 51 -3.330 13.711 0.815 1.00 0.00 C ATOM 781 CG LYS A 51 -1.867 13.936 1.165 1.00 0.00 C ATOM 782 CD LYS A 51 -1.170 14.862 0.170 1.00 0.00 C ATOM 783 CE LYS A 51 -1.648 16.306 0.275 1.00 0.00 C ATOM 784 NZ LYS A 51 -3.003 16.510 -0.311 1.00 0.00 N ATOM 0 H LYS A 51 -5.549 13.675 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.934 13.689 -1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.863 14.658 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.770 13.036 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.796 14.362 2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.350 12.977 1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.094 14.827 0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.345 14.498 -0.843 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.662 16.604 1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.936 16.957 -0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.057 17.456 -0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.178 15.790 -1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.721 16.427 0.437 1.00 0.00 H new ATOM 798 N GLU A 52 -4.048 10.805 -0.227 1.00 0.00 N ATOM 799 CA GLU A 52 -3.786 9.380 -0.125 1.00 0.00 C ATOM 800 C GLU A 52 -3.971 8.713 -1.484 1.00 0.00 C ATOM 801 O GLU A 52 -3.252 7.773 -1.832 1.00 0.00 O ATOM 802 CB GLU A 52 -4.728 8.772 0.907 1.00 0.00 C ATOM 803 CG GLU A 52 -4.818 9.602 2.178 1.00 0.00 C ATOM 804 CD GLU A 52 -5.872 9.101 3.134 1.00 0.00 C ATOM 805 OE1 GLU A 52 -7.067 9.127 2.778 1.00 0.00 O ATOM 806 OE2 GLU A 52 -5.512 8.690 4.252 1.00 0.00 O ATOM 0 H GLU A 52 -5.002 11.070 0.017 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.756 9.218 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.722 8.672 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.387 7.767 1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.850 9.597 2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.036 10.637 1.915 1.00 0.00 H new ATOM 813 N ASN A 53 -4.932 9.218 -2.253 1.00 0.00 N ATOM 814 CA ASN A 53 -5.138 8.766 -3.623 1.00 0.00 C ATOM 815 C ASN A 53 -3.869 9.038 -4.425 1.00 0.00 C ATOM 816 O ASN A 53 -3.406 8.196 -5.188 1.00 0.00 O ATOM 817 CB ASN A 53 -6.325 9.486 -4.293 1.00 0.00 C ATOM 818 CG ASN A 53 -7.611 9.473 -3.488 1.00 0.00 C ATOM 819 OD1 ASN A 53 -8.412 10.404 -3.573 1.00 0.00 O ATOM 820 ND2 ASN A 53 -7.841 8.425 -2.727 1.00 0.00 N ATOM 0 H ASN A 53 -5.582 9.943 -1.948 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.365 7.700 -3.600 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.043 10.521 -4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.514 9.022 -5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.703 8.367 -2.186 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.157 7.670 -2.678 1.00 0.00 H new ATOM 827 N ARG A 54 -3.301 10.225 -4.218 1.00 0.00 N ATOM 828 CA ARG A 54 -2.055 10.614 -4.867 1.00 0.00 C ATOM 829 C ARG A 54 -0.879 9.852 -4.265 1.00 0.00 C ATOM 830 O ARG A 54 0.069 9.497 -4.961 1.00 0.00 O ATOM 831 CB ARG A 54 -1.831 12.124 -4.724 1.00 0.00 C ATOM 832 CG ARG A 54 -0.563 12.625 -5.402 1.00 0.00 C ATOM 833 CD ARG A 54 -0.595 12.358 -6.896 1.00 0.00 C ATOM 834 NE ARG A 54 0.624 12.804 -7.568 1.00 0.00 N ATOM 835 CZ ARG A 54 0.744 12.897 -8.892 1.00 0.00 C ATOM 836 NH1 ARG A 54 -0.290 12.611 -9.680 1.00 0.00 N ATOM 837 NH2 ARG A 54 1.890 13.291 -9.433 1.00 0.00 N ATOM 0 H ARG A 54 -3.690 10.938 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.126 10.366 -5.926 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.688 12.650 -5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.789 12.377 -3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.451 13.694 -5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.305 12.136 -4.961 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.732 11.291 -7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.455 12.865 -7.335 1.00 0.00 H new ATOM 0 HE ARG A 54 1.427 13.058 -6.992 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.178 12.320 -9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.195 12.683 -10.693 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.683 13.524 -8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.978 13.361 -10.447 1.00 0.00 H new ATOM 851 N LEU A 55 -0.959 9.605 -2.966 1.00 0.00 N ATOM 852 CA LEU A 55 0.082 8.890 -2.239 1.00 0.00 C ATOM 853 C LEU A 55 0.350 7.520 -2.855 1.00 0.00 C ATOM 854 O LEU A 55 1.501 7.087 -2.957 1.00 0.00 O ATOM 855 CB LEU A 55 -0.340 8.733 -0.778 1.00 0.00 C ATOM 856 CG LEU A 55 0.603 7.933 0.112 1.00 0.00 C ATOM 857 CD1 LEU A 55 1.930 8.654 0.289 1.00 0.00 C ATOM 858 CD2 LEU A 55 -0.061 7.681 1.453 1.00 0.00 C ATOM 0 H LEU A 55 -1.746 9.894 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 55 1.005 9.467 -2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.457 9.727 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.320 8.257 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 55 0.814 6.976 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.584 8.061 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.402 8.792 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.757 9.627 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.613 7.109 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.290 8.634 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.983 7.119 1.303 1.00 0.00 H new ATOM 870 N CYS A 56 -0.707 6.845 -3.289 1.00 0.00 N ATOM 871 CA CYS A 56 -0.565 5.503 -3.833 1.00 0.00 C ATOM 872 C CYS A 56 0.115 5.532 -5.200 1.00 0.00 C ATOM 873 O CYS A 56 0.566 4.500 -5.689 1.00 0.00 O ATOM 874 CB CYS A 56 -1.918 4.807 -3.943 1.00 0.00 C ATOM 875 SG CYS A 56 -2.715 5.004 -5.562 1.00 0.00 S ATOM 0 H CYS A 56 -1.663 7.201 -3.275 1.00 0.00 H new ATOM 0 HA CYS A 56 0.062 4.939 -3.143 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -1.787 3.744 -3.740 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.581 5.199 -3.172 1.00 0.00 H new ATOM 880 N TYR A 57 0.187 6.710 -5.816 1.00 0.00 N ATOM 881 CA TYR A 57 0.926 6.863 -7.065 1.00 0.00 C ATOM 882 C TYR A 57 2.407 6.647 -6.812 1.00 0.00 C ATOM 883 O TYR A 57 3.119 6.101 -7.645 1.00 0.00 O ATOM 884 CB TYR A 57 0.710 8.250 -7.680 1.00 0.00 C ATOM 885 CG TYR A 57 -0.575 8.395 -8.462 1.00 0.00 C ATOM 886 CD1 TYR A 57 -1.790 8.571 -7.817 1.00 0.00 C ATOM 887 CD2 TYR A 57 -0.568 8.372 -9.851 1.00 0.00 C ATOM 888 CE1 TYR A 57 -2.963 8.720 -8.532 1.00 0.00 C ATOM 889 CE2 TYR A 57 -1.737 8.517 -10.573 1.00 0.00 C ATOM 890 CZ TYR A 57 -2.931 8.691 -9.909 1.00 0.00 C ATOM 891 OH TYR A 57 -4.097 8.840 -10.626 1.00 0.00 O ATOM 0 H TYR A 57 -0.253 7.564 -5.474 1.00 0.00 H new ATOM 0 HA TYR A 57 0.554 6.118 -7.768 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.721 8.993 -6.883 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.549 8.476 -8.338 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.820 8.592 -6.738 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.367 8.239 -10.375 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.900 8.859 -8.014 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.715 8.494 -11.653 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.899 8.797 -11.585 1.00 0.00 H new ATOM 901 N TYR A 58 2.858 7.058 -5.641 1.00 0.00 N ATOM 902 CA TYR A 58 4.253 6.910 -5.273 1.00 0.00 C ATOM 903 C TYR A 58 4.496 5.505 -4.732 1.00 0.00 C ATOM 904 O TYR A 58 5.615 4.995 -4.770 1.00 0.00 O ATOM 905 CB TYR A 58 4.636 7.980 -4.251 1.00 0.00 C ATOM 906 CG TYR A 58 4.164 9.363 -4.647 1.00 0.00 C ATOM 907 CD1 TYR A 58 4.601 9.955 -5.825 1.00 0.00 C ATOM 908 CD2 TYR A 58 3.260 10.063 -3.857 1.00 0.00 C ATOM 909 CE1 TYR A 58 4.155 11.206 -6.203 1.00 0.00 C ATOM 910 CE2 TYR A 58 2.805 11.313 -4.232 1.00 0.00 C ATOM 911 CZ TYR A 58 3.257 11.880 -5.405 1.00 0.00 C ATOM 912 OH TYR A 58 2.801 13.122 -5.791 1.00 0.00 O ATOM 0 H TYR A 58 2.277 7.498 -4.928 1.00 0.00 H new ATOM 0 HA TYR A 58 4.883 7.046 -6.152 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.211 7.719 -3.282 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.719 7.991 -4.131 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.301 9.428 -6.456 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.908 9.623 -2.936 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.509 11.654 -7.120 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.099 11.843 -3.610 1.00 0.00 H new ATOM 0 HH TYR A 58 2.173 13.463 -5.120 1.00 0.00 H new ATOM 922 N LEU A 59 3.425 4.886 -4.237 1.00 0.00 N ATOM 923 CA LEU A 59 3.458 3.486 -3.817 1.00 0.00 C ATOM 924 C LEU A 59 3.354 2.566 -5.038 1.00 0.00 C ATOM 925 O LEU A 59 3.689 1.386 -4.973 1.00 0.00 O ATOM 926 CB LEU A 59 2.314 3.198 -2.831 1.00 0.00 C ATOM 927 CG LEU A 59 2.470 3.819 -1.433 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.118 3.968 -0.756 1.00 0.00 C ATOM 929 CD2 LEU A 59 3.385 2.967 -0.562 1.00 0.00 C ATOM 0 H LEU A 59 2.518 5.336 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 59 4.406 3.293 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.383 3.559 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.217 2.118 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 59 2.916 4.806 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.252 4.409 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.479 4.614 -1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.652 2.988 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.481 3.425 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.961 1.968 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.368 2.897 -1.027 1.00 0.00 H new ATOM 941 N GLY A 60 2.864 3.121 -6.145 1.00 0.00 N ATOM 942 CA GLY A 60 2.812 2.390 -7.399 1.00 0.00 C ATOM 943 C GLY A 60 1.496 1.671 -7.625 1.00 0.00 C ATOM 944 O GLY A 60 1.305 1.042 -8.664 1.00 0.00 O ATOM 0 H GLY A 60 2.499 4.072 -6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.984 3.083 -8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.623 1.662 -7.420 1.00 0.00 H new ATOM 948 N ALA A 61 0.578 1.802 -6.676 1.00 0.00 N ATOM 949 CA ALA A 61 -0.673 1.043 -6.692 1.00 0.00 C ATOM 950 C ALA A 61 -1.523 1.336 -7.927 1.00 0.00 C ATOM 951 O ALA A 61 -2.199 0.453 -8.444 1.00 0.00 O ATOM 952 CB ALA A 61 -1.475 1.330 -5.432 1.00 0.00 C ATOM 0 H ALA A 61 0.675 2.431 -5.879 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.404 -0.013 -6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.404 0.760 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.893 1.041 -4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.704 2.395 -5.381 1.00 0.00 H new ATOM 958 N THR A 62 -1.475 2.567 -8.410 1.00 0.00 N ATOM 959 CA THR A 62 -2.336 2.986 -9.509 1.00 0.00 C ATOM 960 C THR A 62 -1.891 2.420 -10.857 1.00 0.00 C ATOM 961 O THR A 62 -2.601 2.566 -11.853 1.00 0.00 O ATOM 962 CB THR A 62 -2.398 4.518 -9.600 1.00 0.00 C ATOM 963 OG1 THR A 62 -1.149 5.078 -9.173 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.533 5.067 -8.752 1.00 0.00 C ATOM 0 H THR A 62 -0.851 3.294 -8.060 1.00 0.00 H new ATOM 0 HA THR A 62 -3.326 2.586 -9.289 1.00 0.00 H new ATOM 0 HB THR A 62 -2.584 4.796 -10.637 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.160 6.048 -9.313 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.555 6.154 -8.834 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.480 4.657 -9.103 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.379 4.784 -7.711 1.00 0.00 H new ATOM 972 N LYS A 63 -0.716 1.787 -10.880 1.00 0.00 N ATOM 973 CA LYS A 63 -0.120 1.241 -12.110 1.00 0.00 C ATOM 974 C LYS A 63 0.317 2.357 -13.062 1.00 0.00 C ATOM 975 O LYS A 63 0.951 2.099 -14.085 1.00 0.00 O ATOM 976 CB LYS A 63 -1.077 0.281 -12.834 1.00 0.00 C ATOM 977 CG LYS A 63 -1.514 -0.914 -11.999 1.00 0.00 C ATOM 978 CD LYS A 63 -2.289 -1.925 -12.834 1.00 0.00 C ATOM 979 CE LYS A 63 -3.514 -1.301 -13.488 1.00 0.00 C ATOM 980 NZ LYS A 63 -4.535 -0.882 -12.491 1.00 0.00 N ATOM 0 H LYS A 63 -0.147 1.636 -10.047 1.00 0.00 H new ATOM 0 HA LYS A 63 0.761 0.677 -11.804 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.962 0.835 -13.145 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.593 -0.082 -13.741 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.638 -1.395 -11.564 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.135 -0.573 -11.170 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.636 -2.336 -13.604 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.599 -2.757 -12.201 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.208 -0.436 -14.077 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.958 -2.017 -14.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.371 -0.510 -12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.811 -1.701 -11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.138 -0.142 -11.878 1.00 0.00 H new ATOM 994 N ASP A 64 -0.030 3.595 -12.721 1.00 0.00 N ATOM 995 CA ASP A 64 0.405 4.765 -13.479 1.00 0.00 C ATOM 996 C ASP A 64 1.883 4.998 -13.234 1.00 0.00 C ATOM 997 O ASP A 64 2.591 5.595 -14.047 1.00 0.00 O ATOM 998 CB ASP A 64 -0.398 6.000 -13.054 1.00 0.00 C ATOM 999 CG ASP A 64 0.032 7.261 -13.779 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -0.478 7.515 -14.890 1.00 0.00 O ATOM 1001 OD2 ASP A 64 0.864 8.016 -13.237 1.00 0.00 O ATOM 0 H ASP A 64 -0.617 3.815 -11.916 1.00 0.00 H new ATOM 0 HA ASP A 64 0.235 4.590 -14.541 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.457 5.821 -13.242 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.286 6.148 -11.980 1.00 0.00 H new ATOM 1006 N ALA A 65 2.333 4.496 -12.102 1.00 0.00 N ATOM 1007 CA ALA A 65 3.714 4.613 -11.701 1.00 0.00 C ATOM 1008 C ALA A 65 4.518 3.422 -12.192 1.00 0.00 C ATOM 1009 O ALA A 65 4.046 2.644 -13.023 1.00 0.00 O ATOM 1010 CB ALA A 65 3.793 4.713 -10.191 1.00 0.00 C ATOM 0 H ALA A 65 1.747 3.995 -11.435 1.00 0.00 H new ATOM 0 HA ALA A 65 4.137 5.514 -12.146 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.836 4.801 -9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.241 5.591 -9.855 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.359 3.819 -9.744 1.00 0.00 H new ATOM 1016 N ALA A 66 5.729 3.284 -11.676 1.00 0.00 N ATOM 1017 CA ALA A 66 6.562 2.139 -11.991 1.00 0.00 C ATOM 1018 C ALA A 66 5.898 0.858 -11.501 1.00 0.00 C ATOM 1019 O ALA A 66 5.411 0.787 -10.374 1.00 0.00 O ATOM 1020 CB ALA A 66 7.935 2.308 -11.367 1.00 0.00 C ATOM 0 H ALA A 66 6.156 3.954 -11.036 1.00 0.00 H new ATOM 0 HA ALA A 66 6.682 2.071 -13.072 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.553 1.444 -11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 66 8.404 3.211 -11.759 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.835 2.391 -10.285 1.00 0.00 H new ATOM 1026 N THR A 67 5.867 -0.149 -12.351 1.00 0.00 N ATOM 1027 CA THR A 67 5.180 -1.386 -12.032 1.00 0.00 C ATOM 1028 C THR A 67 5.988 -2.264 -11.083 1.00 0.00 C ATOM 1029 O THR A 67 5.429 -3.117 -10.393 1.00 0.00 O ATOM 1030 CB THR A 67 4.849 -2.163 -13.314 1.00 0.00 C ATOM 1031 OG1 THR A 67 5.838 -1.890 -14.319 1.00 0.00 O ATOM 1032 CG2 THR A 67 3.470 -1.783 -13.831 1.00 0.00 C ATOM 0 H THR A 67 6.310 -0.135 -13.270 1.00 0.00 H new ATOM 0 HA THR A 67 4.254 -1.117 -11.524 1.00 0.00 H new ATOM 0 HB THR A 67 4.852 -3.228 -13.084 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.623 -2.390 -15.134 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.255 -2.345 -14.740 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.721 -2.016 -13.074 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.445 -0.715 -14.050 1.00 0.00 H new ATOM 1040 N LYS A 68 7.296 -2.045 -11.027 1.00 0.00 N ATOM 1041 CA LYS A 68 8.156 -2.850 -10.171 1.00 0.00 C ATOM 1042 C LYS A 68 8.044 -2.407 -8.712 1.00 0.00 C ATOM 1043 O LYS A 68 8.259 -3.202 -7.796 1.00 0.00 O ATOM 1044 CB LYS A 68 9.612 -2.776 -10.638 1.00 0.00 C ATOM 1045 CG LYS A 68 10.490 -3.855 -10.030 1.00 0.00 C ATOM 1046 CD LYS A 68 11.918 -3.821 -10.566 1.00 0.00 C ATOM 1047 CE LYS A 68 12.773 -2.743 -9.903 1.00 0.00 C ATOM 1048 NZ LYS A 68 12.435 -1.370 -10.364 1.00 0.00 N ATOM 0 H LYS A 68 7.781 -1.323 -11.560 1.00 0.00 H new ATOM 0 HA LYS A 68 7.822 -3.885 -10.242 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.643 -2.860 -11.724 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.020 -1.798 -10.382 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.510 -3.735 -8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.052 -4.832 -10.234 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.383 -4.794 -10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.893 -3.648 -11.642 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.645 -2.799 -8.822 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.824 -2.942 -10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.309 -0.819 -10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.933 -1.423 -11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.827 -0.907 -9.659 1.00 0.00 H new ATOM 1062 N ILE A 69 7.689 -1.142 -8.495 1.00 0.00 N ATOM 1063 CA ILE A 69 7.540 -0.626 -7.136 1.00 0.00 C ATOM 1064 C ILE A 69 6.241 -1.114 -6.531 1.00 0.00 C ATOM 1065 O ILE A 69 6.095 -1.176 -5.312 1.00 0.00 O ATOM 1066 CB ILE A 69 7.571 0.915 -7.071 1.00 0.00 C ATOM 1067 CG1 ILE A 69 6.281 1.524 -7.625 1.00 0.00 C ATOM 1068 CG2 ILE A 69 8.762 1.432 -7.840 1.00 0.00 C ATOM 1069 CD1 ILE A 69 6.247 3.035 -7.568 1.00 0.00 C ATOM 0 H ILE A 69 7.501 -0.463 -9.233 1.00 0.00 H new ATOM 0 HA ILE A 69 8.393 -1.001 -6.570 1.00 0.00 H new ATOM 0 HB ILE A 69 7.655 1.211 -6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.155 1.206 -8.660 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.434 1.129 -7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.781 2.521 -7.792 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.678 1.033 -7.404 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.688 1.116 -8.881 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.303 3.393 -7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.341 3.362 -6.533 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.073 3.440 -8.153 1.00 0.00 H new ATOM 1081 N LEU A 70 5.300 -1.470 -7.391 1.00 0.00 N ATOM 1082 CA LEU A 70 4.039 -1.990 -6.924 1.00 0.00 C ATOM 1083 C LEU A 70 4.297 -3.326 -6.228 1.00 0.00 C ATOM 1084 O LEU A 70 3.854 -3.560 -5.104 1.00 0.00 O ATOM 1085 CB LEU A 70 3.060 -2.161 -8.095 1.00 0.00 C ATOM 1086 CG LEU A 70 1.570 -1.990 -7.759 1.00 0.00 C ATOM 1087 CD1 LEU A 70 0.726 -2.139 -9.013 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.117 -2.987 -6.708 1.00 0.00 C ATOM 0 H LEU A 70 5.390 -1.407 -8.405 1.00 0.00 H new ATOM 0 HA LEU A 70 3.586 -1.292 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.322 -1.441 -8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.204 -3.154 -8.521 1.00 0.00 H new ATOM 0 HG LEU A 70 1.437 -0.988 -7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.327 -2.015 -8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.016 -1.380 -9.739 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.882 -3.129 -9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.059 -2.836 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.272 -4.001 -7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.694 -2.841 -5.795 1.00 0.00 H new ATOM 1100 N SER A 71 5.056 -4.180 -6.908 1.00 0.00 N ATOM 1101 CA SER A 71 5.496 -5.450 -6.348 1.00 0.00 C ATOM 1102 C SER A 71 6.391 -5.210 -5.136 1.00 0.00 C ATOM 1103 O SER A 71 6.355 -5.966 -4.169 1.00 0.00 O ATOM 1104 CB SER A 71 6.238 -6.248 -7.418 1.00 0.00 C ATOM 1105 OG SER A 71 5.442 -6.372 -8.588 1.00 0.00 O ATOM 0 H SER A 71 5.382 -4.010 -7.860 1.00 0.00 H new ATOM 0 HA SER A 71 4.628 -6.022 -6.020 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.179 -5.754 -7.662 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.488 -7.237 -7.034 1.00 0.00 H new ATOM 0 HG SER A 71 5.932 -6.884 -9.264 1.00 0.00 H new ATOM 1111 N GLU A 72 7.169 -4.132 -5.185 1.00 0.00 N ATOM 1112 CA GLU A 72 8.035 -3.745 -4.074 1.00 0.00 C ATOM 1113 C GLU A 72 7.223 -3.638 -2.783 1.00 0.00 C ATOM 1114 O GLU A 72 7.724 -3.924 -1.697 1.00 0.00 O ATOM 1115 CB GLU A 72 8.710 -2.405 -4.381 1.00 0.00 C ATOM 1116 CG GLU A 72 9.831 -2.037 -3.428 1.00 0.00 C ATOM 1117 CD GLU A 72 11.020 -2.961 -3.555 1.00 0.00 C ATOM 1118 OE1 GLU A 72 11.675 -2.950 -4.619 1.00 0.00 O ATOM 1119 OE2 GLU A 72 11.304 -3.709 -2.600 1.00 0.00 O ATOM 0 H GLU A 72 7.217 -3.506 -5.989 1.00 0.00 H new ATOM 0 HA GLU A 72 8.802 -4.508 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.107 -2.436 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.956 -1.618 -4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.148 -1.012 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.459 -2.067 -2.404 1.00 0.00 H new ATOM 1126 N VAL A 73 5.968 -3.216 -2.918 1.00 0.00 N ATOM 1127 CA VAL A 73 5.050 -3.148 -1.789 1.00 0.00 C ATOM 1128 C VAL A 73 4.336 -4.488 -1.569 1.00 0.00 C ATOM 1129 O VAL A 73 4.377 -5.052 -0.472 1.00 0.00 O ATOM 1130 CB VAL A 73 3.997 -2.035 -1.990 1.00 0.00 C ATOM 1131 CG1 VAL A 73 3.070 -1.939 -0.787 1.00 0.00 C ATOM 1132 CG2 VAL A 73 4.673 -0.697 -2.250 1.00 0.00 C ATOM 0 H VAL A 73 5.564 -2.915 -3.805 1.00 0.00 H new ATOM 0 HA VAL A 73 5.648 -2.917 -0.907 1.00 0.00 H new ATOM 0 HB VAL A 73 3.396 -2.294 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.338 -1.148 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.553 -2.889 -0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.654 -1.711 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.914 0.073 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.303 -0.436 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.287 -0.768 -3.148 1.00 0.00 H new ATOM 1142 N THR A 74 3.706 -5.005 -2.623 1.00 0.00 N ATOM 1143 CA THR A 74 2.852 -6.187 -2.514 1.00 0.00 C ATOM 1144 C THR A 74 3.597 -7.408 -1.979 1.00 0.00 C ATOM 1145 O THR A 74 3.011 -8.221 -1.264 1.00 0.00 O ATOM 1146 CB THR A 74 2.204 -6.550 -3.865 1.00 0.00 C ATOM 1147 OG1 THR A 74 3.210 -6.701 -4.874 1.00 0.00 O ATOM 1148 CG2 THR A 74 1.207 -5.486 -4.289 1.00 0.00 C ATOM 0 H THR A 74 3.772 -4.622 -3.566 1.00 0.00 H new ATOM 0 HA THR A 74 2.076 -5.917 -1.798 1.00 0.00 H new ATOM 0 HB THR A 74 1.674 -7.495 -3.743 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.786 -6.933 -5.727 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.763 -5.764 -5.245 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.424 -5.401 -3.536 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.718 -4.529 -4.391 1.00 0.00 H new ATOM 1156 N ARG A 75 4.882 -7.539 -2.308 1.00 0.00 N ATOM 1157 CA ARG A 75 5.637 -8.710 -1.880 1.00 0.00 C ATOM 1158 C ARG A 75 5.762 -8.762 -0.350 1.00 0.00 C ATOM 1159 O ARG A 75 5.326 -9.734 0.266 1.00 0.00 O ATOM 1160 CB ARG A 75 7.023 -8.770 -2.524 1.00 0.00 C ATOM 1161 CG ARG A 75 6.991 -8.755 -4.038 1.00 0.00 C ATOM 1162 CD ARG A 75 6.112 -9.847 -4.610 1.00 0.00 C ATOM 1163 NE ARG A 75 6.370 -10.057 -6.031 1.00 0.00 N ATOM 1164 CZ ARG A 75 5.432 -10.023 -6.977 1.00 0.00 C ATOM 1165 NH1 ARG A 75 4.175 -9.732 -6.661 1.00 0.00 N ATOM 1166 NH2 ARG A 75 5.762 -10.257 -8.242 1.00 0.00 N ATOM 0 H ARG A 75 5.411 -6.862 -2.858 1.00 0.00 H new ATOM 0 HA ARG A 75 5.076 -9.582 -2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.614 -7.924 -2.173 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.531 -9.674 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.630 -7.785 -4.381 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.005 -8.871 -4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.286 -10.776 -4.067 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.064 -9.584 -4.465 1.00 0.00 H new ATOM 0 HE ARG A 75 7.331 -10.242 -6.319 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.926 -9.534 -5.692 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.459 -9.707 -7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.731 -10.462 -8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.047 -10.232 -8.969 1.00 0.00 H new ATOM 1180 N PRO A 76 6.328 -7.717 0.303 1.00 0.00 N ATOM 1181 CA PRO A 76 6.463 -7.698 1.766 1.00 0.00 C ATOM 1182 C PRO A 76 5.127 -7.518 2.479 1.00 0.00 C ATOM 1183 O PRO A 76 5.020 -7.761 3.677 1.00 0.00 O ATOM 1184 CB PRO A 76 7.379 -6.503 2.033 1.00 0.00 C ATOM 1185 CG PRO A 76 7.191 -5.611 0.860 1.00 0.00 C ATOM 1186 CD PRO A 76 6.929 -6.516 -0.310 1.00 0.00 C ATOM 0 HA PRO A 76 6.856 -8.642 2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.110 -5.998 2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.419 -6.815 2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.357 -4.928 1.019 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.077 -4.999 0.689 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.254 -6.054 -1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.848 -6.757 -0.844 1.00 0.00 H new ATOM 1194 N MET A 77 4.113 -7.091 1.741 1.00 0.00 N ATOM 1195 CA MET A 77 2.779 -6.933 2.305 1.00 0.00 C ATOM 1196 C MET A 77 2.117 -8.279 2.550 1.00 0.00 C ATOM 1197 O MET A 77 1.198 -8.376 3.348 1.00 0.00 O ATOM 1198 CB MET A 77 1.894 -6.092 1.386 1.00 0.00 C ATOM 1199 CG MET A 77 2.009 -4.596 1.617 1.00 0.00 C ATOM 1200 SD MET A 77 1.442 -4.103 3.256 1.00 0.00 S ATOM 1201 CE MET A 77 1.568 -2.322 3.132 1.00 0.00 C ATOM 0 H MET A 77 4.187 -6.848 0.753 1.00 0.00 H new ATOM 0 HA MET A 77 2.893 -6.421 3.260 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.153 -6.310 0.350 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.855 -6.392 1.525 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.048 -4.291 1.489 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.426 -4.069 0.861 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.319 -1.872 4.093 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.586 -2.048 2.855 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.876 -1.960 2.372 1.00 0.00 H new ATOM 1211 N SER A 78 2.610 -9.316 1.876 1.00 0.00 N ATOM 1212 CA SER A 78 1.999 -10.648 1.911 1.00 0.00 C ATOM 1213 C SER A 78 1.990 -11.254 3.322 1.00 0.00 C ATOM 1214 O SER A 78 1.311 -12.253 3.579 1.00 0.00 O ATOM 1215 CB SER A 78 2.750 -11.565 0.943 1.00 0.00 C ATOM 1216 OG SER A 78 2.128 -12.832 0.815 1.00 0.00 O ATOM 0 H SER A 78 3.443 -9.259 1.290 1.00 0.00 H new ATOM 0 HA SER A 78 0.957 -10.550 1.608 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.806 -11.089 -0.036 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.774 -11.698 1.292 1.00 0.00 H new ATOM 0 HG SER A 78 1.670 -13.057 1.651 1.00 0.00 H new ATOM 1222 N VAL A 79 2.748 -10.666 4.230 1.00 0.00 N ATOM 1223 CA VAL A 79 2.814 -11.152 5.595 1.00 0.00 C ATOM 1224 C VAL A 79 3.179 -10.001 6.530 1.00 0.00 C ATOM 1225 O VAL A 79 3.859 -9.065 6.117 1.00 0.00 O ATOM 1226 CB VAL A 79 3.844 -12.306 5.714 1.00 0.00 C ATOM 1227 CG1 VAL A 79 5.257 -11.817 5.435 1.00 0.00 C ATOM 1228 CG2 VAL A 79 3.759 -12.984 7.073 1.00 0.00 C ATOM 0 H VAL A 79 3.328 -9.848 4.045 1.00 0.00 H new ATOM 0 HA VAL A 79 1.838 -11.544 5.882 1.00 0.00 H new ATOM 0 HB VAL A 79 3.594 -13.048 4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.955 -12.649 5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.308 -11.410 4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.522 -11.041 6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.493 -13.788 7.125 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.963 -12.255 7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.759 -13.396 7.212 1.00 0.00 H new ATOM 1238 N HIS A 80 2.675 -10.053 7.764 1.00 0.00 N ATOM 1239 CA HIS A 80 3.007 -9.055 8.786 1.00 0.00 C ATOM 1240 C HIS A 80 4.520 -8.833 8.844 1.00 0.00 C ATOM 1241 O HIS A 80 5.277 -9.718 9.246 1.00 0.00 O ATOM 1242 CB HIS A 80 2.457 -9.478 10.162 1.00 0.00 C ATOM 1243 CG HIS A 80 2.925 -10.818 10.655 1.00 0.00 C ATOM 1244 ND1 HIS A 80 3.901 -10.966 11.614 1.00 0.00 N ATOM 1245 CD2 HIS A 80 2.527 -12.069 10.335 1.00 0.00 C ATOM 1246 CE1 HIS A 80 4.084 -12.248 11.860 1.00 0.00 C ATOM 1247 NE2 HIS A 80 3.260 -12.940 11.096 1.00 0.00 N ATOM 0 H HIS A 80 2.032 -10.778 8.082 1.00 0.00 H new ATOM 0 HA HIS A 80 2.535 -8.111 8.513 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.737 -8.721 10.895 1.00 0.00 H new ATOM 0 HB3 HIS A 80 1.368 -9.487 10.113 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.770 -12.333 9.612 1.00 0.00 H new ATOM 0 HE1 HIS A 80 4.788 -12.662 12.567 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.182 -13.957 11.076 1.00 0.00 H new ATOM 1256 N MET A 81 4.957 -7.646 8.434 1.00 0.00 N ATOM 1257 CA MET A 81 6.369 -7.413 8.168 1.00 0.00 C ATOM 1258 C MET A 81 6.835 -5.995 8.545 1.00 0.00 C ATOM 1259 O MET A 81 6.054 -5.172 9.021 1.00 0.00 O ATOM 1260 CB MET A 81 6.642 -7.669 6.676 1.00 0.00 C ATOM 1261 CG MET A 81 7.118 -9.081 6.375 1.00 0.00 C ATOM 1262 SD MET A 81 7.752 -9.269 4.695 1.00 0.00 S ATOM 1263 CE MET A 81 9.131 -8.123 4.721 1.00 0.00 C ATOM 0 H MET A 81 4.356 -6.836 8.280 1.00 0.00 H new ATOM 0 HA MET A 81 6.936 -8.101 8.795 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.731 -7.474 6.110 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.392 -6.960 6.326 1.00 0.00 H new ATOM 0 HG2 MET A 81 7.899 -9.354 7.085 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.293 -9.777 6.526 1.00 0.00 H new ATOM 0 HE1 MET A 81 9.750 -8.278 3.837 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.754 -7.100 4.725 1.00 0.00 H new ATOM 0 HE3 MET A 81 9.729 -8.293 5.617 1.00 0.00 H new ATOM 1273 N PRO A 82 8.156 -5.751 8.329 1.00 0.00 N ATOM 1274 CA PRO A 82 8.868 -4.453 8.410 1.00 0.00 C ATOM 1275 C PRO A 82 8.146 -3.186 7.916 1.00 0.00 C ATOM 1276 O PRO A 82 8.778 -2.139 7.908 1.00 0.00 O ATOM 1277 CB PRO A 82 10.074 -4.696 7.511 1.00 0.00 C ATOM 1278 CG PRO A 82 10.418 -6.124 7.710 1.00 0.00 C ATOM 1279 CD PRO A 82 9.147 -6.830 8.094 1.00 0.00 C ATOM 0 HA PRO A 82 9.040 -4.222 9.461 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.837 -4.489 6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.907 -4.048 7.783 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.837 -6.551 6.799 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.172 -6.235 8.489 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.816 -7.503 7.303 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.288 -7.436 8.989 1.00 0.00 H new ATOM 1287 N ALA A 83 6.894 -3.270 7.460 1.00 0.00 N ATOM 1288 CA ALA A 83 6.193 -2.155 6.780 1.00 0.00 C ATOM 1289 C ALA A 83 6.515 -0.766 7.365 1.00 0.00 C ATOM 1290 O ALA A 83 6.669 0.203 6.610 1.00 0.00 O ATOM 1291 CB ALA A 83 4.691 -2.391 6.851 1.00 0.00 C ATOM 0 H ALA A 83 6.327 -4.113 7.548 1.00 0.00 H new ATOM 0 HA ALA A 83 6.548 -2.148 5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.170 -1.574 6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.447 -3.332 6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.379 -2.437 7.894 1.00 0.00 H new ATOM 1297 N MET A 84 6.648 -0.672 8.687 1.00 0.00 N ATOM 1298 CA MET A 84 7.032 0.586 9.336 1.00 0.00 C ATOM 1299 C MET A 84 8.305 1.174 8.698 1.00 0.00 C ATOM 1300 O MET A 84 8.343 2.344 8.328 1.00 0.00 O ATOM 1301 CB MET A 84 7.231 0.375 10.851 1.00 0.00 C ATOM 1302 CG MET A 84 8.485 -0.409 11.225 1.00 0.00 C ATOM 1303 SD MET A 84 8.158 -1.802 12.322 1.00 0.00 S ATOM 1304 CE MET A 84 7.243 -2.881 11.225 1.00 0.00 C ATOM 0 H MET A 84 6.496 -1.449 9.331 1.00 0.00 H new ATOM 0 HA MET A 84 6.223 1.301 9.189 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.269 1.349 11.338 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.361 -0.146 11.249 1.00 0.00 H new ATOM 0 HG2 MET A 84 8.960 -0.776 10.315 1.00 0.00 H new ATOM 0 HG3 MET A 84 9.195 0.264 11.706 1.00 0.00 H new ATOM 0 HE1 MET A 84 7.432 -3.920 11.495 1.00 0.00 H new ATOM 0 HE2 MET A 84 6.177 -2.671 11.314 1.00 0.00 H new ATOM 0 HE3 MET A 84 7.562 -2.710 10.197 1.00 0.00 H new ATOM 1314 N LYS A 85 9.337 0.359 8.566 1.00 0.00 N ATOM 1315 CA LYS A 85 10.582 0.787 7.951 1.00 0.00 C ATOM 1316 C LYS A 85 10.555 0.581 6.436 1.00 0.00 C ATOM 1317 O LYS A 85 11.386 1.131 5.720 1.00 0.00 O ATOM 1318 CB LYS A 85 11.779 0.076 8.598 1.00 0.00 C ATOM 1319 CG LYS A 85 11.457 -1.311 9.136 1.00 0.00 C ATOM 1320 CD LYS A 85 12.573 -1.848 10.017 1.00 0.00 C ATOM 1321 CE LYS A 85 13.809 -2.197 9.209 1.00 0.00 C ATOM 1322 NZ LYS A 85 14.892 -2.760 10.058 1.00 0.00 N ATOM 0 H LYS A 85 9.337 -0.612 8.880 1.00 0.00 H new ATOM 0 HA LYS A 85 10.696 1.857 8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.580 -0.007 7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.157 0.692 9.414 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.529 -1.273 9.707 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.291 -1.994 8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.830 -1.105 10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.223 -2.734 10.548 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.544 -2.917 8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.174 -1.304 8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.717 -2.984 9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.164 -2.064 10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.554 -3.627 10.523 1.00 0.00 H new ATOM 1336 N ILE A 86 9.591 -0.201 5.947 1.00 0.00 N ATOM 1337 CA ILE A 86 9.458 -0.441 4.508 1.00 0.00 C ATOM 1338 C ILE A 86 9.234 0.866 3.759 1.00 0.00 C ATOM 1339 O ILE A 86 9.856 1.111 2.729 1.00 0.00 O ATOM 1340 CB ILE A 86 8.310 -1.427 4.173 1.00 0.00 C ATOM 1341 CG1 ILE A 86 8.671 -2.836 4.641 1.00 0.00 C ATOM 1342 CG2 ILE A 86 7.998 -1.421 2.678 1.00 0.00 C ATOM 1343 CD1 ILE A 86 7.658 -3.895 4.255 1.00 0.00 C ATOM 0 H ILE A 86 8.895 -0.676 6.521 1.00 0.00 H new ATOM 0 HA ILE A 86 10.395 -0.895 4.185 1.00 0.00 H new ATOM 0 HB ILE A 86 7.415 -1.100 4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.641 -3.108 4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.779 -2.830 5.726 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.189 -2.122 2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.696 -0.419 2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.886 -1.718 2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.988 -4.866 4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.691 -3.650 4.693 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.566 -3.932 3.170 1.00 0.00 H new ATOM 1355 N CYS A 87 8.365 1.718 4.292 1.00 0.00 N ATOM 1356 CA CYS A 87 8.092 3.004 3.649 1.00 0.00 C ATOM 1357 C CYS A 87 9.317 3.900 3.671 1.00 0.00 C ATOM 1358 O CYS A 87 9.453 4.816 2.861 1.00 0.00 O ATOM 1359 CB CYS A 87 6.910 3.707 4.309 1.00 0.00 C ATOM 1360 SG CYS A 87 6.419 5.258 3.495 1.00 0.00 S ATOM 0 H CYS A 87 7.844 1.549 5.153 1.00 0.00 H new ATOM 0 HA CYS A 87 7.835 2.802 2.609 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.057 3.029 4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.161 3.918 5.348 1.00 0.00 H new ATOM 1365 N GLU A 88 10.221 3.612 4.580 1.00 0.00 N ATOM 1366 CA GLU A 88 11.458 4.348 4.670 1.00 0.00 C ATOM 1367 C GLU A 88 12.456 3.785 3.660 1.00 0.00 C ATOM 1368 O GLU A 88 13.246 4.520 3.068 1.00 0.00 O ATOM 1369 CB GLU A 88 11.981 4.248 6.090 1.00 0.00 C ATOM 1370 CG GLU A 88 13.275 5.002 6.333 1.00 0.00 C ATOM 1371 CD GLU A 88 13.656 5.029 7.797 1.00 0.00 C ATOM 1372 OE1 GLU A 88 13.123 5.876 8.539 1.00 0.00 O ATOM 1373 OE2 GLU A 88 14.486 4.194 8.216 1.00 0.00 O ATOM 0 H GLU A 88 10.120 2.868 5.271 1.00 0.00 H new ATOM 0 HA GLU A 88 11.301 5.400 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.220 4.626 6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.135 3.197 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.077 4.538 5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.172 6.024 5.967 1.00 0.00 H new ATOM 1380 N LYS A 89 12.394 2.470 3.451 1.00 0.00 N ATOM 1381 CA LYS A 89 13.176 1.819 2.406 1.00 0.00 C ATOM 1382 C LYS A 89 12.753 2.347 1.039 1.00 0.00 C ATOM 1383 O LYS A 89 13.556 2.443 0.110 1.00 0.00 O ATOM 1384 CB LYS A 89 12.977 0.303 2.435 1.00 0.00 C ATOM 1385 CG LYS A 89 13.417 -0.359 3.719 1.00 0.00 C ATOM 1386 CD LYS A 89 13.243 -1.861 3.629 1.00 0.00 C ATOM 1387 CE LYS A 89 12.965 -2.460 4.988 1.00 0.00 C ATOM 1388 NZ LYS A 89 12.759 -3.929 4.910 1.00 0.00 N ATOM 0 H LYS A 89 11.808 1.836 3.994 1.00 0.00 H new ATOM 0 HA LYS A 89 14.228 2.041 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.922 0.084 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.528 -0.140 1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.461 -0.119 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.835 0.031 4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.423 -2.095 2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.143 -2.310 3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.798 -2.244 5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.080 -1.991 5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.571 -4.304 5.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.949 -4.134 4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.613 -4.379 4.523 1.00 0.00 H new ATOM 1402 N LEU A 90 11.476 2.705 0.942 1.00 0.00 N ATOM 1403 CA LEU A 90 10.888 3.186 -0.302 1.00 0.00 C ATOM 1404 C LEU A 90 11.467 4.530 -0.723 1.00 0.00 C ATOM 1405 O LEU A 90 11.308 4.938 -1.873 1.00 0.00 O ATOM 1406 CB LEU A 90 9.368 3.297 -0.169 1.00 0.00 C ATOM 1407 CG LEU A 90 8.630 1.964 -0.046 1.00 0.00 C ATOM 1408 CD1 LEU A 90 7.133 2.192 0.087 1.00 0.00 C ATOM 1409 CD2 LEU A 90 8.934 1.087 -1.251 1.00 0.00 C ATOM 0 H LEU A 90 10.821 2.670 1.723 1.00 0.00 H new ATOM 0 HA LEU A 90 11.133 2.458 -1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.139 3.904 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.981 3.831 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 90 8.976 1.454 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.625 1.232 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.934 2.789 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.766 2.719 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.404 0.140 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.610 1.593 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.006 0.899 -1.303 1.00 0.00 H new ATOM 1421 N LYS A 91 12.156 5.210 0.191 1.00 0.00 N ATOM 1422 CA LYS A 91 12.747 6.503 -0.130 1.00 0.00 C ATOM 1423 C LYS A 91 13.871 6.344 -1.149 1.00 0.00 C ATOM 1424 O LYS A 91 14.283 7.311 -1.790 1.00 0.00 O ATOM 1425 CB LYS A 91 13.274 7.208 1.120 1.00 0.00 C ATOM 1426 CG LYS A 91 12.219 7.455 2.183 1.00 0.00 C ATOM 1427 CD LYS A 91 12.700 8.456 3.220 1.00 0.00 C ATOM 1428 CE LYS A 91 12.788 9.858 2.635 1.00 0.00 C ATOM 1429 NZ LYS A 91 13.227 10.859 3.638 1.00 0.00 N ATOM 0 H LYS A 91 12.316 4.891 1.147 1.00 0.00 H new ATOM 0 HA LYS A 91 11.959 7.121 -0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.076 6.609 1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.711 8.163 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.307 7.825 1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.967 6.514 2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.019 8.457 4.071 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.678 8.154 3.594 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.485 9.857 1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.814 10.146 2.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.734 11.759 3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.002 10.515 4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.253 11.006 3.556 1.00 0.00 H new ATOM 1443 N LYS A 92 14.360 5.114 -1.290 1.00 0.00 N ATOM 1444 CA LYS A 92 15.353 4.792 -2.305 1.00 0.00 C ATOM 1445 C LYS A 92 14.738 4.946 -3.693 1.00 0.00 C ATOM 1446 O LYS A 92 15.423 5.272 -4.661 1.00 0.00 O ATOM 1447 CB LYS A 92 15.861 3.361 -2.104 1.00 0.00 C ATOM 1448 CG LYS A 92 16.950 2.946 -3.084 1.00 0.00 C ATOM 1449 CD LYS A 92 17.430 1.528 -2.815 1.00 0.00 C ATOM 1450 CE LYS A 92 16.324 0.504 -3.029 1.00 0.00 C ATOM 1451 NZ LYS A 92 15.959 0.355 -4.465 1.00 0.00 N ATOM 0 H LYS A 92 14.081 4.323 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 92 16.196 5.477 -2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.244 3.262 -1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.021 2.672 -2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 92 16.570 3.015 -4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.790 3.636 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.269 1.298 -3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 92 17.797 1.457 -1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.645 -0.461 -2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.442 0.802 -2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.277 -0.423 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.532 1.239 -4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 16.813 0.144 -5.020 1.00 0.00 H new ATOM 1465 N LEU A 93 13.435 4.717 -3.771 1.00 0.00 N ATOM 1466 CA LEU A 93 12.700 4.849 -5.018 1.00 0.00 C ATOM 1467 C LEU A 93 12.166 6.271 -5.164 1.00 0.00 C ATOM 1468 O LEU A 93 12.360 6.920 -6.193 1.00 0.00 O ATOM 1469 CB LEU A 93 11.543 3.848 -5.052 1.00 0.00 C ATOM 1470 CG LEU A 93 11.956 2.376 -4.952 1.00 0.00 C ATOM 1471 CD1 LEU A 93 10.741 1.498 -4.705 1.00 0.00 C ATOM 1472 CD2 LEU A 93 12.677 1.937 -6.217 1.00 0.00 C ATOM 0 H LEU A 93 12.861 4.436 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 93 13.374 4.639 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.862 4.075 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.986 3.991 -5.978 1.00 0.00 H new ATOM 0 HG LEU A 93 12.639 2.268 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.053 0.456 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.261 1.795 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.036 1.612 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.963 0.889 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.016 2.061 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.570 2.546 -6.357 1.00 0.00 H new ATOM 1484 N ASP A 94 11.503 6.752 -4.117 1.00 0.00 N ATOM 1485 CA ASP A 94 10.938 8.095 -4.112 1.00 0.00 C ATOM 1486 C ASP A 94 10.970 8.671 -2.700 1.00 0.00 C ATOM 1487 O ASP A 94 10.615 7.994 -1.742 1.00 0.00 O ATOM 1488 CB ASP A 94 9.499 8.068 -4.631 1.00 0.00 C ATOM 1489 CG ASP A 94 8.919 9.458 -4.790 1.00 0.00 C ATOM 1490 OD1 ASP A 94 8.369 9.985 -3.814 1.00 0.00 O ATOM 1491 OD2 ASP A 94 9.020 10.030 -5.898 1.00 0.00 O ATOM 0 H ASP A 94 11.344 6.227 -3.257 1.00 0.00 H new ATOM 0 HA ASP A 94 11.536 8.727 -4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 94 9.471 7.553 -5.591 1.00 0.00 H new ATOM 0 HB3 ASP A 94 8.878 7.494 -3.943 1.00 0.00 H new ATOM 1496 N SER A 95 11.438 9.901 -2.567 1.00 0.00 N ATOM 1497 CA SER A 95 11.512 10.551 -1.266 1.00 0.00 C ATOM 1498 C SER A 95 10.209 11.275 -0.906 1.00 0.00 C ATOM 1499 O SER A 95 9.939 11.535 0.270 1.00 0.00 O ATOM 1500 CB SER A 95 12.675 11.536 -1.251 1.00 0.00 C ATOM 1501 OG SER A 95 13.876 10.907 -1.670 1.00 0.00 O ATOM 0 H SER A 95 11.773 10.471 -3.344 1.00 0.00 H new ATOM 0 HA SER A 95 11.671 9.775 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.453 12.378 -1.907 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.802 11.940 -0.246 1.00 0.00 H new ATOM 0 HG SER A 95 14.609 11.558 -1.654 1.00 0.00 H new ATOM 1507 N GLN A 96 9.400 11.587 -1.912 1.00 0.00 N ATOM 1508 CA GLN A 96 8.195 12.383 -1.702 1.00 0.00 C ATOM 1509 C GLN A 96 7.075 11.525 -1.130 1.00 0.00 C ATOM 1510 O GLN A 96 6.226 12.015 -0.387 1.00 0.00 O ATOM 1511 CB GLN A 96 7.743 13.043 -3.007 1.00 0.00 C ATOM 1512 CG GLN A 96 6.549 13.971 -2.838 1.00 0.00 C ATOM 1513 CD GLN A 96 6.858 15.200 -1.997 1.00 0.00 C ATOM 1514 OE1 GLN A 96 7.720 15.180 -1.116 1.00 0.00 O ATOM 1515 NE2 GLN A 96 6.144 16.280 -2.259 1.00 0.00 N ATOM 0 H GLN A 96 9.555 11.302 -2.879 1.00 0.00 H new ATOM 0 HA GLN A 96 8.433 13.168 -0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.576 13.608 -3.426 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.490 12.266 -3.729 1.00 0.00 H new ATOM 0 HG2 GLN A 96 6.203 14.290 -3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.731 13.419 -2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 96 5.439 16.259 -2.996 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.298 17.135 -1.724 1.00 0.00 H new ATOM 1524 N ILE A 97 7.082 10.241 -1.475 1.00 0.00 N ATOM 1525 CA ILE A 97 6.146 9.277 -0.899 1.00 0.00 C ATOM 1526 C ILE A 97 6.226 9.314 0.625 1.00 0.00 C ATOM 1527 O ILE A 97 5.248 9.068 1.334 1.00 0.00 O ATOM 1528 CB ILE A 97 6.445 7.838 -1.394 1.00 0.00 C ATOM 1529 CG1 ILE A 97 5.368 6.868 -0.916 1.00 0.00 C ATOM 1530 CG2 ILE A 97 7.815 7.367 -0.921 1.00 0.00 C ATOM 1531 CD1 ILE A 97 5.617 5.440 -1.342 1.00 0.00 C ATOM 0 H ILE A 97 7.729 9.841 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 97 5.142 9.554 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 97 6.444 7.857 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.308 6.910 0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.401 7.191 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.997 6.355 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.584 8.035 -1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.846 7.373 0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.814 4.804 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.648 5.385 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.569 5.099 -0.934 1.00 0.00 H new ATOM 1543 N CYS A 98 7.404 9.661 1.112 1.00 0.00 N ATOM 1544 CA CYS A 98 7.663 9.722 2.529 1.00 0.00 C ATOM 1545 C CYS A 98 7.265 11.081 3.089 1.00 0.00 C ATOM 1546 O CYS A 98 6.401 11.188 3.963 1.00 0.00 O ATOM 1547 CB CYS A 98 9.145 9.459 2.784 1.00 0.00 C ATOM 1548 SG CYS A 98 9.587 9.307 4.539 1.00 0.00 S ATOM 0 H CYS A 98 8.205 9.908 0.531 1.00 0.00 H new ATOM 0 HA CYS A 98 7.068 8.960 3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 98 9.433 8.543 2.268 1.00 0.00 H new ATOM 0 HB3 CYS A 98 9.727 10.269 2.344 1.00 0.00 H new ATOM 1553 N GLU A 99 7.872 12.123 2.550 1.00 0.00 N ATOM 1554 CA GLU A 99 7.705 13.466 3.076 1.00 0.00 C ATOM 1555 C GLU A 99 6.627 14.222 2.301 1.00 0.00 C ATOM 1556 O GLU A 99 6.794 15.393 1.961 1.00 0.00 O ATOM 1557 CB GLU A 99 9.042 14.201 2.995 1.00 0.00 C ATOM 1558 CG GLU A 99 10.171 13.473 3.709 1.00 0.00 C ATOM 1559 CD GLU A 99 11.542 13.946 3.278 1.00 0.00 C ATOM 1560 OE1 GLU A 99 11.883 15.114 3.542 1.00 0.00 O ATOM 1561 OE2 GLU A 99 12.279 13.152 2.657 1.00 0.00 O ATOM 0 H GLU A 99 8.490 12.063 1.741 1.00 0.00 H new ATOM 0 HA GLU A 99 7.384 13.409 4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.311 14.337 1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.929 15.195 3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.065 13.615 4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.085 12.403 3.518 1.00 0.00 H new ATOM 1568 N LEU A 100 5.529 13.532 2.019 1.00 0.00 N ATOM 1569 CA LEU A 100 4.400 14.125 1.312 1.00 0.00 C ATOM 1570 C LEU A 100 3.692 15.127 2.212 1.00 0.00 C ATOM 1571 O LEU A 100 3.554 16.298 1.857 1.00 0.00 O ATOM 1572 CB LEU A 100 3.420 13.031 0.884 1.00 0.00 C ATOM 1573 CG LEU A 100 2.350 13.464 -0.122 1.00 0.00 C ATOM 1574 CD1 LEU A 100 2.991 13.961 -1.407 1.00 0.00 C ATOM 1575 CD2 LEU A 100 1.400 12.313 -0.414 1.00 0.00 C ATOM 0 H LEU A 100 5.396 12.553 2.272 1.00 0.00 H new ATOM 0 HA LEU A 100 4.769 14.641 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.988 12.207 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.923 12.644 1.773 1.00 0.00 H new ATOM 0 HG LEU A 100 1.780 14.283 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.213 14.264 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.633 14.814 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.587 13.162 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.645 12.637 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.960 11.476 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.913 12.000 0.509 1.00 0.00 H new ATOM 1587 N LYS A 101 3.261 14.643 3.377 1.00 0.00 N ATOM 1588 CA LYS A 101 2.599 15.466 4.394 1.00 0.00 C ATOM 1589 C LYS A 101 1.208 15.918 3.949 1.00 0.00 C ATOM 1590 O LYS A 101 1.000 16.344 2.811 1.00 0.00 O ATOM 1591 CB LYS A 101 3.454 16.685 4.761 1.00 0.00 C ATOM 1592 CG LYS A 101 4.837 16.326 5.283 1.00 0.00 C ATOM 1593 CD LYS A 101 4.760 15.372 6.462 1.00 0.00 C ATOM 1594 CE LYS A 101 6.141 15.049 7.008 1.00 0.00 C ATOM 1595 NZ LYS A 101 6.832 16.262 7.523 1.00 0.00 N ATOM 0 H LYS A 101 3.361 13.664 3.645 1.00 0.00 H new ATOM 0 HA LYS A 101 2.481 14.839 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.561 17.321 3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.931 17.271 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.421 15.871 4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.360 17.234 5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.150 15.814 7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.265 14.451 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.052 14.315 7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.744 14.593 6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.644 15.977 8.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.166 16.837 6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.170 16.821 8.098 1.00 0.00 H new ATOM 1609 N TYR A 102 0.251 15.808 4.861 1.00 0.00 N ATOM 1610 CA TYR A 102 -1.097 16.301 4.615 1.00 0.00 C ATOM 1611 C TYR A 102 -1.082 17.821 4.545 1.00 0.00 C ATOM 1612 O TYR A 102 -0.174 18.468 5.074 1.00 0.00 O ATOM 1613 CB TYR A 102 -2.064 15.851 5.715 1.00 0.00 C ATOM 1614 CG TYR A 102 -2.350 14.365 5.733 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -3.249 13.801 4.834 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -1.736 13.528 6.656 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -3.524 12.447 4.854 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -2.009 12.172 6.684 1.00 0.00 C ATOM 1619 CZ TYR A 102 -2.903 11.638 5.781 1.00 0.00 C ATOM 1620 OH TYR A 102 -3.182 10.289 5.810 1.00 0.00 O ATOM 0 H TYR A 102 0.384 15.382 5.778 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.440 15.887 3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.653 16.140 6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.005 16.387 5.595 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.740 14.432 4.108 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.034 13.943 7.364 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.222 12.025 4.147 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.524 11.535 7.409 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.952 10.102 5.233 1.00 0.00 H new ATOM 1630 N GLU A 103 -2.084 18.389 3.898 1.00 0.00 N ATOM 1631 CA GLU A 103 -2.153 19.830 3.726 1.00 0.00 C ATOM 1632 C GLU A 103 -2.749 20.487 4.961 1.00 0.00 C ATOM 1633 O GLU A 103 -3.905 20.909 4.968 1.00 0.00 O ATOM 1634 CB GLU A 103 -2.959 20.177 2.478 1.00 0.00 C ATOM 1635 CG GLU A 103 -2.338 19.621 1.211 1.00 0.00 C ATOM 1636 CD GLU A 103 -3.188 19.858 -0.015 1.00 0.00 C ATOM 1637 OE1 GLU A 103 -4.051 19.007 -0.311 1.00 0.00 O ATOM 1638 OE2 GLU A 103 -2.979 20.880 -0.700 1.00 0.00 O ATOM 0 H GLU A 103 -2.861 17.875 3.483 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.142 20.215 3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.971 19.787 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.042 21.261 2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.359 20.077 1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.175 18.550 1.332 1.00 0.00 H new ATOM 1645 N LYS A 104 -1.936 20.563 6.004 1.00 0.00 N ATOM 1646 CA LYS A 104 -2.321 21.165 7.277 1.00 0.00 C ATOM 1647 C LYS A 104 -2.354 22.691 7.185 1.00 0.00 C ATOM 1648 O LYS A 104 -1.830 23.396 8.052 1.00 0.00 O ATOM 1649 CB LYS A 104 -1.334 20.722 8.360 1.00 0.00 C ATOM 1650 CG LYS A 104 0.113 20.764 7.894 1.00 0.00 C ATOM 1651 CD LYS A 104 1.089 20.529 9.034 1.00 0.00 C ATOM 1652 CE LYS A 104 2.498 20.273 8.517 1.00 0.00 C ATOM 1653 NZ LYS A 104 2.920 21.274 7.502 1.00 0.00 N ATOM 0 H LYS A 104 -0.981 20.206 5.993 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.326 20.829 7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.448 21.364 9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.580 19.708 8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.267 20.008 7.124 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.318 21.732 7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 104 1.094 21.396 9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.758 19.677 9.628 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.197 20.290 9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.546 19.275 8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.942 21.185 7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.404 21.107 6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.709 22.231 7.850 1.00 0.00 H new ATOM 1667 N THR A 105 -2.975 23.194 6.135 1.00 0.00 N ATOM 1668 CA THR A 105 -3.063 24.618 5.904 1.00 0.00 C ATOM 1669 C THR A 105 -4.518 25.023 5.673 1.00 0.00 C ATOM 1670 O THR A 105 -4.962 25.029 4.506 1.00 0.00 O ATOM 1671 CB THR A 105 -2.200 25.027 4.694 1.00 0.00 C ATOM 1672 OG1 THR A 105 -2.551 24.231 3.552 1.00 0.00 O ATOM 1673 CG2 THR A 105 -0.719 24.855 4.995 1.00 0.00 C ATOM 1674 OXT THR A 105 -5.226 25.289 6.667 1.00 0.00 O ATOM 0 H THR A 105 -3.431 22.626 5.421 1.00 0.00 H new ATOM 0 HA THR A 105 -2.686 25.135 6.786 1.00 0.00 H new ATOM 0 HB THR A 105 -2.391 26.079 4.483 1.00 0.00 H new ATOM 0 HG1 THR A 105 -3.525 24.222 3.447 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.134 25.151 4.124 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.446 25.480 5.845 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.515 23.811 5.232 1.00 0.00 H new TER 1682 THR A 105