USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -167:sc= 0.0222 (180deg=0.0086) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= -2.96! USER MOD Single : A 21 SER OG : rot -43:sc= 0.361 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00705) USER MOD Single : A 28 LYS NZ :NH3+ -120:sc= -0.0042 (180deg=-0.247) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.0885 K(o=0.088,f=-3.5!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.169 USER MOD Single : A 39 THR OG1 : rot 65:sc= -0.608 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.15 K(o=-1.1,f=-4.1!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.38 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0347 X(o=-0.035,f=-0.044) USER MOD Single : A 58 TYR OH : rot 30:sc= -2.37 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= -0.105 (180deg=-0.165) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.402 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.859 18.725 -0.879 1.00 0.00 N ATOM 2 CA MET A 1 -13.301 18.811 0.543 1.00 0.00 C ATOM 3 C MET A 1 -12.277 18.134 1.458 1.00 0.00 C ATOM 4 O MET A 1 -11.682 18.765 2.310 1.00 0.00 O ATOM 5 CB MET A 1 -14.636 18.068 0.588 1.00 0.00 C ATOM 6 CG MET A 1 -15.449 18.551 1.791 1.00 0.00 C ATOM 7 SD MET A 1 -17.194 18.136 1.545 1.00 0.00 S ATOM 8 CE MET A 1 -17.878 19.329 2.722 1.00 0.00 C ATOM 0 H1 MET A 1 -13.562 19.188 -1.490 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.940 19.201 -0.986 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.766 17.726 -1.154 1.00 0.00 H new ATOM 0 HA MET A 1 -13.397 19.842 0.884 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.192 18.241 -0.333 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.464 16.994 0.659 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.079 18.086 2.704 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.334 19.628 1.913 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.965 19.246 2.734 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.487 19.122 3.718 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.594 20.338 2.424 1.00 0.00 H new ATOM 20 N LYS A 2 -12.071 16.853 1.283 1.00 0.00 N ATOM 21 CA LYS A 2 -11.086 16.124 2.137 1.00 0.00 C ATOM 22 C LYS A 2 -9.857 15.737 1.310 1.00 0.00 C ATOM 23 O LYS A 2 -9.790 14.659 0.750 1.00 0.00 O ATOM 24 CB LYS A 2 -11.826 14.875 2.616 1.00 0.00 C ATOM 25 CG LYS A 2 -12.649 15.214 3.861 1.00 0.00 C ATOM 26 CD LYS A 2 -14.042 15.691 3.437 1.00 0.00 C ATOM 27 CE LYS A 2 -14.990 14.496 3.349 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.772 14.714 2.099 1.00 0.00 N ATOM 0 H LYS A 2 -12.544 16.280 0.584 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.731 16.731 2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.478 14.501 1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.113 14.082 2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.733 14.338 4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.148 15.989 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.423 16.417 4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.986 16.195 2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.438 13.557 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.644 14.446 4.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.585 14.066 2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.112 15.696 2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.166 14.532 1.274 1.00 0.00 H new ATOM 42 N LYS A 3 -8.884 16.611 1.232 1.00 0.00 N ATOM 43 CA LYS A 3 -7.654 16.308 0.447 1.00 0.00 C ATOM 44 C LYS A 3 -6.579 17.366 0.722 1.00 0.00 C ATOM 45 O LYS A 3 -6.567 17.990 1.766 1.00 0.00 O ATOM 46 CB LYS A 3 -8.095 16.344 -1.019 1.00 0.00 C ATOM 47 CG LYS A 3 -7.353 15.260 -1.803 1.00 0.00 C ATOM 48 CD LYS A 3 -7.167 15.713 -3.252 1.00 0.00 C ATOM 49 CE LYS A 3 -5.983 14.967 -3.873 1.00 0.00 C ATOM 50 NZ LYS A 3 -5.640 15.744 -5.097 1.00 0.00 N ATOM 0 H LYS A 3 -8.892 17.526 1.682 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.220 15.343 0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.171 16.186 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.887 17.324 -1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.383 15.065 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.914 14.326 -1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.074 15.518 -3.824 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.992 16.788 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.139 14.922 -3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.249 13.939 -4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.836 15.295 -5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.460 15.764 -5.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.385 16.716 -4.831 1.00 0.00 H new ATOM 64 N LYS A 4 -5.677 17.573 -0.208 1.00 0.00 N ATOM 65 CA LYS A 4 -4.607 18.584 -0.010 1.00 0.00 C ATOM 66 C LYS A 4 -3.908 18.871 -1.347 1.00 0.00 C ATOM 67 O LYS A 4 -4.507 18.760 -2.400 1.00 0.00 O ATOM 68 CB LYS A 4 -3.642 17.948 0.996 1.00 0.00 C ATOM 69 CG LYS A 4 -3.199 18.997 2.018 1.00 0.00 C ATOM 70 CD LYS A 4 -2.120 18.405 2.925 1.00 0.00 C ATOM 71 CE LYS A 4 -2.176 19.082 4.296 1.00 0.00 C ATOM 72 NZ LYS A 4 -3.106 18.242 5.101 1.00 0.00 N ATOM 0 H LYS A 4 -5.642 17.078 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.989 19.537 0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.127 17.114 1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.774 17.543 0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.814 19.879 1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.052 19.322 2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.270 17.331 3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.136 18.547 2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.188 19.128 4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.538 20.107 4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.197 18.643 6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.040 18.222 4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.732 17.274 5.166 1.00 0.00 H new ATOM 86 N ASP A 5 -2.652 19.241 -1.312 1.00 0.00 N ATOM 87 CA ASP A 5 -1.917 19.537 -2.579 1.00 0.00 C ATOM 88 C ASP A 5 -0.875 18.441 -2.859 1.00 0.00 C ATOM 89 O ASP A 5 -0.600 17.627 -2.000 1.00 0.00 O ATOM 90 CB ASP A 5 -1.231 20.880 -2.327 1.00 0.00 C ATOM 91 CG ASP A 5 -2.011 21.998 -3.023 1.00 0.00 C ATOM 92 OD1 ASP A 5 -2.281 21.857 -4.205 1.00 0.00 O ATOM 93 OD2 ASP A 5 -2.324 22.975 -2.363 1.00 0.00 O ATOM 0 H ASP A 5 -2.104 19.351 -0.459 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.578 19.571 -3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.175 21.075 -1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.207 20.852 -2.700 1.00 0.00 H new ATOM 98 N PRO A 6 -0.323 18.450 -4.054 1.00 0.00 N ATOM 99 CA PRO A 6 0.695 17.433 -4.418 1.00 0.00 C ATOM 100 C PRO A 6 2.011 17.712 -3.687 1.00 0.00 C ATOM 101 O PRO A 6 2.772 16.810 -3.395 1.00 0.00 O ATOM 102 CB PRO A 6 0.862 17.610 -5.925 1.00 0.00 C ATOM 103 CG PRO A 6 0.451 19.020 -6.198 1.00 0.00 C ATOM 104 CD PRO A 6 -0.580 19.386 -5.163 1.00 0.00 C ATOM 0 HA PRO A 6 0.403 16.419 -4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.893 17.433 -6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.241 16.904 -6.476 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.309 19.690 -6.141 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.039 19.114 -7.203 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -0.473 20.422 -4.843 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -1.592 19.275 -5.552 1.00 0.00 H new ATOM 112 N ASN A 7 2.283 18.959 -3.398 1.00 0.00 N ATOM 113 CA ASN A 7 3.552 19.312 -2.692 1.00 0.00 C ATOM 114 C ASN A 7 3.433 19.036 -1.186 1.00 0.00 C ATOM 115 O ASN A 7 4.425 18.983 -0.484 1.00 0.00 O ATOM 116 CB ASN A 7 3.746 20.807 -2.948 1.00 0.00 C ATOM 117 CG ASN A 7 3.998 21.041 -4.438 1.00 0.00 C ATOM 118 OD1 ASN A 7 3.070 21.122 -5.218 1.00 0.00 O ATOM 119 ND2 ASN A 7 5.225 21.153 -4.870 1.00 0.00 N ATOM 0 H ASN A 7 1.679 19.750 -3.621 1.00 0.00 H new ATOM 0 HA ASN A 7 4.394 18.720 -3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.863 21.359 -2.627 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.586 21.181 -2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 7 5.404 21.308 -5.862 1.00 0.00 H new ATOM 0 HD22 ASN A 7 6.004 21.085 -4.215 1.00 0.00 H new ATOM 126 N ALA A 8 2.233 18.848 -0.686 1.00 0.00 N ATOM 127 CA ALA A 8 2.063 18.566 0.770 1.00 0.00 C ATOM 128 C ALA A 8 1.803 17.062 0.979 1.00 0.00 C ATOM 129 O ALA A 8 0.934 16.504 0.338 1.00 0.00 O ATOM 130 CB ALA A 8 0.841 19.384 1.191 1.00 0.00 C ATOM 0 H ALA A 8 1.368 18.878 -1.225 1.00 0.00 H new ATOM 0 HA ALA A 8 2.946 18.827 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.649 19.231 2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.029 20.441 1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.027 19.064 0.615 1.00 0.00 H new ATOM 136 N PRO A 9 2.560 16.440 1.862 1.00 0.00 N ATOM 137 CA PRO A 9 2.373 14.988 2.112 1.00 0.00 C ATOM 138 C PRO A 9 1.060 14.731 2.858 1.00 0.00 C ATOM 139 O PRO A 9 0.963 14.943 4.052 1.00 0.00 O ATOM 140 CB PRO A 9 3.573 14.611 2.976 1.00 0.00 C ATOM 141 CG PRO A 9 3.980 15.883 3.645 1.00 0.00 C ATOM 142 CD PRO A 9 3.638 17.001 2.696 1.00 0.00 C ATOM 0 HA PRO A 9 2.316 14.404 1.194 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.309 13.847 3.707 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.384 14.206 2.371 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.456 16.006 4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.047 15.878 3.869 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.307 17.892 3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.499 17.292 2.094 1.00 0.00 H new ATOM 150 N LYS A 10 0.050 14.276 2.157 1.00 0.00 N ATOM 151 CA LYS A 10 -1.266 14.000 2.813 1.00 0.00 C ATOM 152 C LYS A 10 -1.101 12.959 3.927 1.00 0.00 C ATOM 153 O LYS A 10 -0.001 12.674 4.361 1.00 0.00 O ATOM 154 CB LYS A 10 -2.172 13.459 1.698 1.00 0.00 C ATOM 155 CG LYS A 10 -1.553 12.196 1.077 1.00 0.00 C ATOM 156 CD LYS A 10 -1.234 12.443 -0.402 1.00 0.00 C ATOM 157 CE LYS A 10 -0.501 11.227 -0.976 1.00 0.00 C ATOM 158 NZ LYS A 10 0.110 11.712 -2.244 1.00 0.00 N ATOM 0 H LYS A 10 0.081 14.083 1.156 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.685 14.894 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.159 13.229 2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.310 14.220 0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.644 11.925 1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.242 11.357 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.154 12.623 -0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.618 13.336 -0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.259 10.862 -0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.189 10.401 -1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.631 10.935 -2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.638 12.047 -2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.765 12.493 -2.037 1.00 0.00 H new ATOM 172 N ARG A 11 -2.187 12.393 4.392 1.00 0.00 N ATOM 173 CA ARG A 11 -2.102 11.371 5.484 1.00 0.00 C ATOM 174 C ARG A 11 -1.187 10.207 5.070 1.00 0.00 C ATOM 175 O ARG A 11 -1.109 9.876 3.903 1.00 0.00 O ATOM 176 CB ARG A 11 -3.535 10.871 5.678 1.00 0.00 C ATOM 177 CG ARG A 11 -4.240 11.737 6.725 1.00 0.00 C ATOM 178 CD ARG A 11 -4.515 13.123 6.138 1.00 0.00 C ATOM 179 NE ARG A 11 -5.403 13.791 7.129 1.00 0.00 N ATOM 180 CZ ARG A 11 -6.274 14.679 6.730 1.00 0.00 C ATOM 181 NH1 ARG A 11 -7.447 14.297 6.307 1.00 0.00 N ATOM 182 NH2 ARG A 11 -5.969 15.948 6.753 1.00 0.00 N ATOM 0 H ARG A 11 -3.131 12.594 4.063 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.684 11.792 6.398 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.077 10.911 4.733 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.528 9.829 5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.175 11.268 7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.620 11.825 7.617 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.590 13.682 5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.996 13.050 5.163 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.331 13.555 8.119 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.684 13.305 6.288 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.127 14.990 5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.051 16.246 7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.649 16.642 6.441 1.00 0.00 H new ATOM 196 N PRO A 12 -0.520 9.613 6.038 1.00 0.00 N ATOM 197 CA PRO A 12 0.382 8.480 5.738 1.00 0.00 C ATOM 198 C PRO A 12 -0.436 7.187 5.555 1.00 0.00 C ATOM 199 O PRO A 12 -1.220 6.840 6.416 1.00 0.00 O ATOM 200 CB PRO A 12 1.266 8.384 6.975 1.00 0.00 C ATOM 201 CG PRO A 12 0.466 8.985 8.087 1.00 0.00 C ATOM 202 CD PRO A 12 -0.539 9.931 7.475 1.00 0.00 C ATOM 0 HA PRO A 12 0.955 8.619 4.821 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.524 7.348 7.193 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.203 8.922 6.830 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.041 8.206 8.657 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.117 9.516 8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.532 9.784 7.900 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.266 10.971 7.655 1.00 0.00 H new ATOM 210 N PRO A 13 -0.240 6.511 4.441 1.00 0.00 N ATOM 211 CA PRO A 13 -0.991 5.261 4.188 1.00 0.00 C ATOM 212 C PRO A 13 -0.330 4.086 4.913 1.00 0.00 C ATOM 213 O PRO A 13 0.686 4.244 5.566 1.00 0.00 O ATOM 214 CB PRO A 13 -0.902 5.091 2.676 1.00 0.00 C ATOM 215 CG PRO A 13 0.336 5.826 2.257 1.00 0.00 C ATOM 216 CD PRO A 13 0.673 6.829 3.334 1.00 0.00 C ATOM 0 HA PRO A 13 -2.020 5.297 4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.843 4.037 2.403 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.785 5.499 2.184 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.162 5.129 2.114 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.175 6.330 1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.715 6.743 3.643 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.528 7.851 2.983 1.00 0.00 H new ATOM 224 N SER A 14 -0.901 2.912 4.809 1.00 0.00 N ATOM 225 CA SER A 14 -0.311 1.725 5.496 1.00 0.00 C ATOM 226 C SER A 14 -0.825 0.426 4.862 1.00 0.00 C ATOM 227 O SER A 14 -1.502 -0.359 5.499 1.00 0.00 O ATOM 228 CB SER A 14 -0.781 1.841 6.947 1.00 0.00 C ATOM 229 OG SER A 14 -0.086 0.890 7.743 1.00 0.00 O ATOM 0 H SER A 14 -1.751 2.725 4.277 1.00 0.00 H new ATOM 0 HA SER A 14 0.776 1.700 5.417 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.598 2.848 7.321 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.855 1.668 7.008 1.00 0.00 H new ATOM 0 HG SER A 14 -0.384 0.963 8.674 1.00 0.00 H new ATOM 235 N ALA A 15 -0.519 0.194 3.603 1.00 0.00 N ATOM 236 CA ALA A 15 -0.991 -1.045 2.897 1.00 0.00 C ATOM 237 C ALA A 15 -2.510 -1.004 2.733 1.00 0.00 C ATOM 238 O ALA A 15 -3.012 -0.736 1.658 1.00 0.00 O ATOM 239 CB ALA A 15 -0.554 -2.248 3.753 1.00 0.00 C ATOM 0 H ALA A 15 0.045 0.819 3.028 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.561 -1.122 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.878 -3.172 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.532 -2.251 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.006 -2.174 4.742 1.00 0.00 H new ATOM 245 N PHE A 16 -3.248 -1.265 3.783 1.00 0.00 N ATOM 246 CA PHE A 16 -4.746 -1.238 3.687 1.00 0.00 C ATOM 247 C PHE A 16 -5.227 0.073 3.064 1.00 0.00 C ATOM 248 O PHE A 16 -6.107 0.086 2.224 1.00 0.00 O ATOM 249 CB PHE A 16 -5.227 -1.331 5.128 1.00 0.00 C ATOM 250 CG PHE A 16 -6.692 -1.698 5.152 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.126 -2.889 4.557 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.616 -0.846 5.770 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.485 -3.227 4.580 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.974 -1.186 5.793 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.408 -2.377 5.198 1.00 0.00 C ATOM 0 H PHE A 16 -2.880 -1.496 4.706 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.127 -2.045 3.061 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.646 -2.078 5.668 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.072 -0.379 5.636 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.414 -3.546 4.081 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.281 0.073 6.229 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.821 -4.145 4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.687 -0.530 6.270 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.456 -2.639 5.216 1.00 0.00 H new ATOM 265 N PHE A 17 -4.641 1.173 3.463 1.00 0.00 N ATOM 266 CA PHE A 17 -5.048 2.490 2.889 1.00 0.00 C ATOM 267 C PHE A 17 -4.758 2.500 1.389 1.00 0.00 C ATOM 268 O PHE A 17 -5.422 3.173 0.624 1.00 0.00 O ATOM 269 CB PHE A 17 -4.192 3.532 3.611 1.00 0.00 C ATOM 270 CG PHE A 17 -4.854 4.885 3.512 1.00 0.00 C ATOM 271 CD1 PHE A 17 -4.764 5.623 2.325 1.00 0.00 C ATOM 272 CD2 PHE A 17 -5.556 5.403 4.607 1.00 0.00 C ATOM 273 CE1 PHE A 17 -5.377 6.878 2.234 1.00 0.00 C ATOM 274 CE2 PHE A 17 -6.170 6.657 4.515 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.081 7.395 3.328 1.00 0.00 C ATOM 0 H PHE A 17 -3.899 1.216 4.161 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.111 2.692 3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.066 3.253 4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.196 3.569 3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.222 5.224 1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.624 4.835 5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.307 7.448 1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.713 7.056 5.359 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.555 8.363 3.257 1.00 0.00 H new ATOM 285 N LEU A 18 -3.762 1.759 0.967 1.00 0.00 N ATOM 286 CA LEU A 18 -3.412 1.722 -0.483 1.00 0.00 C ATOM 287 C LEU A 18 -4.337 0.758 -1.227 1.00 0.00 C ATOM 288 O LEU A 18 -4.773 1.036 -2.325 1.00 0.00 O ATOM 289 CB LEU A 18 -1.965 1.205 -0.555 1.00 0.00 C ATOM 290 CG LEU A 18 -1.045 2.005 0.381 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.387 1.488 0.245 1.00 0.00 C ATOM 292 CD2 LEU A 18 -1.082 3.490 0.006 1.00 0.00 C ATOM 0 H LEU A 18 -3.177 1.178 1.567 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.518 2.705 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.938 0.150 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.600 1.278 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.387 1.884 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.042 2.053 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.420 0.433 0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.721 1.609 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.428 4.050 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.743 3.614 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.102 3.864 0.100 1.00 0.00 H new ATOM 304 N PHE A 19 -4.643 -0.372 -0.634 1.00 0.00 N ATOM 305 CA PHE A 19 -5.545 -1.356 -1.310 1.00 0.00 C ATOM 306 C PHE A 19 -6.928 -0.742 -1.506 1.00 0.00 C ATOM 307 O PHE A 19 -7.480 -0.767 -2.591 1.00 0.00 O ATOM 308 CB PHE A 19 -5.620 -2.556 -0.364 1.00 0.00 C ATOM 309 CG PHE A 19 -6.139 -3.758 -1.115 1.00 0.00 C ATOM 310 CD1 PHE A 19 -5.262 -4.541 -1.875 1.00 0.00 C ATOM 311 CD2 PHE A 19 -7.499 -4.090 -1.051 1.00 0.00 C ATOM 312 CE1 PHE A 19 -5.744 -5.655 -2.572 1.00 0.00 C ATOM 313 CE2 PHE A 19 -7.980 -5.204 -1.748 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.103 -5.987 -2.508 1.00 0.00 C ATOM 0 H PHE A 19 -4.307 -0.654 0.287 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.176 -1.644 -2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.634 -2.770 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.275 -2.329 0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.214 -4.286 -1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -8.175 -3.486 -0.464 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.068 -6.259 -3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.028 -5.460 -1.700 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.475 -6.847 -3.045 1.00 0.00 H new ATOM 324 N CYS A 20 -7.487 -0.179 -0.464 1.00 0.00 N ATOM 325 CA CYS A 20 -8.836 0.454 -0.587 1.00 0.00 C ATOM 326 C CYS A 20 -8.782 1.593 -1.611 1.00 0.00 C ATOM 327 O CYS A 20 -9.769 1.924 -2.236 1.00 0.00 O ATOM 328 CB CYS A 20 -9.158 0.999 0.806 1.00 0.00 C ATOM 329 SG CYS A 20 -10.930 1.344 0.925 1.00 0.00 S ATOM 0 H CYS A 20 -7.068 -0.130 0.465 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.595 -0.252 -0.926 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.866 0.276 1.567 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.586 1.908 0.993 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.204 1.805 2.109 1.00 0.00 H new ATOM 335 N SER A 21 -7.630 2.196 -1.777 1.00 0.00 N ATOM 336 CA SER A 21 -7.499 3.319 -2.752 1.00 0.00 C ATOM 337 C SER A 21 -6.809 2.848 -4.039 1.00 0.00 C ATOM 338 O SER A 21 -6.283 3.649 -4.789 1.00 0.00 O ATOM 339 CB SER A 21 -6.640 4.360 -2.037 1.00 0.00 C ATOM 340 OG SER A 21 -6.681 5.581 -2.764 1.00 0.00 O ATOM 0 H SER A 21 -6.774 1.957 -1.277 1.00 0.00 H new ATOM 0 HA SER A 21 -8.470 3.716 -3.049 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.006 4.515 -1.022 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.612 4.006 -1.955 1.00 0.00 H new ATOM 0 HG SER A 21 -6.594 5.394 -3.722 1.00 0.00 H new ATOM 346 N GLU A 22 -6.812 1.563 -4.310 1.00 0.00 N ATOM 347 CA GLU A 22 -6.157 1.057 -5.563 1.00 0.00 C ATOM 348 C GLU A 22 -6.947 -0.103 -6.203 1.00 0.00 C ATOM 349 O GLU A 22 -6.672 -0.486 -7.326 1.00 0.00 O ATOM 350 CB GLU A 22 -4.782 0.566 -5.127 1.00 0.00 C ATOM 351 CG GLU A 22 -3.877 1.760 -4.815 1.00 0.00 C ATOM 352 CD GLU A 22 -3.612 2.549 -6.098 1.00 0.00 C ATOM 353 OE1 GLU A 22 -4.417 3.406 -6.422 1.00 0.00 O ATOM 354 OE2 GLU A 22 -2.607 2.282 -6.737 1.00 0.00 O ATOM 0 H GLU A 22 -7.237 0.846 -3.722 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.108 1.844 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.876 -0.070 -4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.337 -0.043 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.348 2.402 -4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.936 1.414 -4.387 1.00 0.00 H new ATOM 361 N TYR A 23 -7.911 -0.673 -5.513 1.00 0.00 N ATOM 362 CA TYR A 23 -8.687 -1.808 -6.100 1.00 0.00 C ATOM 363 C TYR A 23 -10.173 -1.454 -6.209 1.00 0.00 C ATOM 364 O TYR A 23 -11.018 -2.325 -6.238 1.00 0.00 O ATOM 365 CB TYR A 23 -8.488 -2.968 -5.124 1.00 0.00 C ATOM 366 CG TYR A 23 -7.146 -3.613 -5.373 1.00 0.00 C ATOM 367 CD1 TYR A 23 -5.996 -3.093 -4.766 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.051 -4.731 -6.212 1.00 0.00 C ATOM 369 CE1 TYR A 23 -4.752 -3.692 -4.996 1.00 0.00 C ATOM 370 CE2 TYR A 23 -5.806 -5.328 -6.443 1.00 0.00 C ATOM 371 CZ TYR A 23 -4.656 -4.809 -5.835 1.00 0.00 C ATOM 372 OH TYR A 23 -3.430 -5.399 -6.062 1.00 0.00 O ATOM 0 H TYR A 23 -8.191 -0.399 -4.571 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.350 -2.051 -7.108 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.544 -2.607 -4.097 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.284 -3.702 -5.248 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.069 -2.230 -4.121 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.938 -5.132 -6.680 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.866 -3.292 -4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -5.732 -6.189 -7.090 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.541 -6.162 -6.666 1.00 0.00 H new ATOM 382 N ARG A 24 -10.494 -0.187 -6.276 1.00 0.00 N ATOM 383 CA ARG A 24 -11.920 0.225 -6.390 1.00 0.00 C ATOM 384 C ARG A 24 -12.408 0.227 -7.850 1.00 0.00 C ATOM 385 O ARG A 24 -13.480 -0.273 -8.103 1.00 0.00 O ATOM 386 CB ARG A 24 -11.989 1.631 -5.807 1.00 0.00 C ATOM 387 CG ARG A 24 -11.552 1.611 -4.342 1.00 0.00 C ATOM 388 CD ARG A 24 -11.808 2.986 -3.719 1.00 0.00 C ATOM 389 NE ARG A 24 -12.275 2.699 -2.333 1.00 0.00 N ATOM 390 CZ ARG A 24 -13.373 3.247 -1.889 1.00 0.00 C ATOM 391 NH1 ARG A 24 -13.438 4.540 -1.726 1.00 0.00 N ATOM 392 NH2 ARG A 24 -14.407 2.501 -1.607 1.00 0.00 N ATOM 0 H ARG A 24 -9.824 0.582 -6.256 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.565 -0.476 -5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.347 2.302 -6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.005 2.017 -5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.102 0.844 -3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.494 1.357 -4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.902 3.592 -3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.559 3.541 -4.282 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.737 2.075 -1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.630 5.123 -1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.296 4.968 -1.379 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.356 1.490 -1.734 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.265 2.929 -1.260 1.00 0.00 H new ATOM 406 N PRO A 25 -11.635 0.787 -8.776 1.00 0.00 N ATOM 407 CA PRO A 25 -12.084 0.825 -10.196 1.00 0.00 C ATOM 408 C PRO A 25 -12.138 -0.588 -10.784 1.00 0.00 C ATOM 409 O PRO A 25 -12.755 -0.814 -11.809 1.00 0.00 O ATOM 410 CB PRO A 25 -11.045 1.698 -10.893 1.00 0.00 C ATOM 411 CG PRO A 25 -9.829 1.608 -10.037 1.00 0.00 C ATOM 412 CD PRO A 25 -10.303 1.404 -8.621 1.00 0.00 C ATOM 0 HA PRO A 25 -13.091 1.225 -10.315 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.844 1.342 -11.903 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.390 2.728 -10.981 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.194 0.781 -10.354 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.232 2.517 -10.117 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.626 0.757 -8.063 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.361 2.348 -8.079 1.00 0.00 H new ATOM 420 N LYS A 26 -11.532 -1.547 -10.126 1.00 0.00 N ATOM 421 CA LYS A 26 -11.589 -2.950 -10.627 1.00 0.00 C ATOM 422 C LYS A 26 -12.988 -3.495 -10.354 1.00 0.00 C ATOM 423 O LYS A 26 -13.667 -3.984 -11.235 1.00 0.00 O ATOM 424 CB LYS A 26 -10.557 -3.712 -9.800 1.00 0.00 C ATOM 425 CG LYS A 26 -10.329 -5.096 -10.410 1.00 0.00 C ATOM 426 CD LYS A 26 -11.399 -6.063 -9.899 1.00 0.00 C ATOM 427 CE LYS A 26 -10.932 -7.504 -10.115 1.00 0.00 C ATOM 428 NZ LYS A 26 -10.109 -7.826 -8.916 1.00 0.00 N ATOM 0 H LYS A 26 -11.002 -1.416 -9.265 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.385 -3.036 -11.694 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.619 -3.158 -9.771 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.902 -3.810 -8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.368 -5.036 -11.498 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.337 -5.462 -10.146 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.588 -5.886 -8.840 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.339 -5.892 -10.424 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.779 -8.184 -10.207 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.348 -7.597 -11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.430 -8.577 -9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.593 -6.976 -8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.729 -8.150 -8.146 1.00 0.00 H new ATOM 442 N ILE A 27 -13.418 -3.397 -9.121 1.00 0.00 N ATOM 443 CA ILE A 27 -14.780 -3.890 -8.734 1.00 0.00 C ATOM 444 C ILE A 27 -15.844 -3.302 -9.659 1.00 0.00 C ATOM 445 O ILE A 27 -16.871 -3.900 -9.902 1.00 0.00 O ATOM 446 CB ILE A 27 -15.033 -3.347 -7.312 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.911 -3.734 -6.328 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.364 -3.891 -6.792 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.606 -5.230 -6.403 1.00 0.00 C ATOM 0 H ILE A 27 -12.879 -2.992 -8.356 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.829 -4.977 -8.793 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.057 -2.259 -7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.010 -3.164 -6.556 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.206 -3.470 -5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.546 -3.509 -5.787 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.170 -3.572 -7.453 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.326 -4.980 -6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.811 -5.475 -5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.502 -5.797 -6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.287 -5.486 -7.413 1.00 0.00 H new ATOM 461 N LYS A 28 -15.613 -2.110 -10.131 1.00 0.00 N ATOM 462 CA LYS A 28 -16.629 -1.434 -10.998 1.00 0.00 C ATOM 463 C LYS A 28 -16.663 -2.088 -12.382 1.00 0.00 C ATOM 464 O LYS A 28 -17.711 -2.226 -12.983 1.00 0.00 O ATOM 465 CB LYS A 28 -16.238 0.063 -11.127 1.00 0.00 C ATOM 466 CG LYS A 28 -15.527 0.636 -9.882 1.00 0.00 C ATOM 467 CD LYS A 28 -16.232 0.254 -8.570 1.00 0.00 C ATOM 468 CE LYS A 28 -17.687 0.728 -8.603 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.617 2.202 -8.395 1.00 0.00 N ATOM 0 H LYS A 28 -14.765 -1.570 -9.956 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.620 -1.527 -10.553 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.587 0.185 -11.993 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.138 0.648 -11.320 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.499 0.274 -9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.481 1.722 -9.962 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.195 -0.826 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.713 0.704 -7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.160 0.486 -9.555 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.277 0.247 -7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.146 2.457 -7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.624 2.491 -8.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.033 2.688 -9.215 1.00 0.00 H new ATOM 483 N SER A 29 -15.526 -2.486 -12.891 1.00 0.00 N ATOM 484 CA SER A 29 -15.487 -3.129 -14.243 1.00 0.00 C ATOM 485 C SER A 29 -16.366 -4.386 -14.273 1.00 0.00 C ATOM 486 O SER A 29 -16.833 -4.798 -15.317 1.00 0.00 O ATOM 487 CB SER A 29 -14.021 -3.500 -14.471 1.00 0.00 C ATOM 488 OG SER A 29 -13.864 -4.001 -15.792 1.00 0.00 O ATOM 0 H SER A 29 -14.621 -2.394 -12.430 1.00 0.00 H new ATOM 0 HA SER A 29 -15.866 -2.462 -15.017 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.386 -2.627 -14.323 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.706 -4.250 -13.745 1.00 0.00 H new ATOM 0 HG SER A 29 -12.925 -4.238 -15.942 1.00 0.00 H new ATOM 494 N GLU A 30 -16.585 -4.998 -13.136 1.00 0.00 N ATOM 495 CA GLU A 30 -17.426 -6.235 -13.096 1.00 0.00 C ATOM 496 C GLU A 30 -18.682 -6.017 -12.244 1.00 0.00 C ATOM 497 O GLU A 30 -19.663 -6.725 -12.388 1.00 0.00 O ATOM 498 CB GLU A 30 -16.525 -7.302 -12.464 1.00 0.00 C ATOM 499 CG GLU A 30 -16.040 -8.275 -13.542 1.00 0.00 C ATOM 500 CD GLU A 30 -17.142 -9.293 -13.843 1.00 0.00 C ATOM 501 OE1 GLU A 30 -18.086 -8.931 -14.525 1.00 0.00 O ATOM 502 OE2 GLU A 30 -17.023 -10.418 -13.385 1.00 0.00 O ATOM 0 H GLU A 30 -16.218 -4.695 -12.234 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.774 -6.522 -14.088 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.672 -6.829 -11.977 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.073 -7.843 -11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.777 -7.729 -14.448 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.139 -8.787 -13.206 1.00 0.00 H new ATOM 509 N HIS A 31 -18.665 -5.051 -11.359 1.00 0.00 N ATOM 510 CA HIS A 31 -19.865 -4.798 -10.502 1.00 0.00 C ATOM 511 C HIS A 31 -20.356 -3.356 -10.707 1.00 0.00 C ATOM 512 O HIS A 31 -19.839 -2.442 -10.096 1.00 0.00 O ATOM 513 CB HIS A 31 -19.408 -4.999 -9.048 1.00 0.00 C ATOM 514 CG HIS A 31 -18.691 -6.316 -8.893 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.310 -6.410 -8.941 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.148 -7.595 -8.693 1.00 0.00 C ATOM 517 CE1 HIS A 31 -16.986 -7.704 -8.773 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.069 -8.471 -8.618 1.00 0.00 N ATOM 0 H HIS A 31 -17.874 -4.428 -11.193 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.686 -5.470 -10.754 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.748 -4.183 -8.753 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.271 -4.968 -8.383 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.658 -5.638 -9.079 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.187 -7.878 -8.607 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.973 -8.078 -8.764 1.00 0.00 H new ATOM 526 N PRO A 32 -21.339 -3.190 -11.565 1.00 0.00 N ATOM 527 CA PRO A 32 -21.878 -1.836 -11.832 1.00 0.00 C ATOM 528 C PRO A 32 -22.754 -1.371 -10.668 1.00 0.00 C ATOM 529 O PRO A 32 -22.744 -0.213 -10.294 1.00 0.00 O ATOM 530 CB PRO A 32 -22.703 -2.018 -13.101 1.00 0.00 C ATOM 531 CG PRO A 32 -23.080 -3.466 -13.128 1.00 0.00 C ATOM 532 CD PRO A 32 -22.033 -4.223 -12.353 1.00 0.00 C ATOM 0 HA PRO A 32 -21.101 -1.080 -11.945 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.588 -1.382 -13.088 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.128 -1.746 -13.986 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.065 -3.614 -12.686 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.134 -3.829 -14.154 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.484 -4.977 -11.709 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.345 -4.743 -13.019 1.00 0.00 H new ATOM 540 N GLY A 33 -23.508 -2.270 -10.091 1.00 0.00 N ATOM 541 CA GLY A 33 -24.386 -1.896 -8.945 1.00 0.00 C ATOM 542 C GLY A 33 -23.555 -1.737 -7.661 1.00 0.00 C ATOM 543 O GLY A 33 -24.054 -1.273 -6.653 1.00 0.00 O ATOM 0 H GLY A 33 -23.553 -3.251 -10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.906 -0.964 -9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.149 -2.660 -8.799 1.00 0.00 H new ATOM 547 N LEU A 34 -22.297 -2.118 -7.684 1.00 0.00 N ATOM 548 CA LEU A 34 -21.442 -1.988 -6.460 1.00 0.00 C ATOM 549 C LEU A 34 -21.263 -0.509 -6.089 1.00 0.00 C ATOM 550 O LEU A 34 -20.266 0.105 -6.419 1.00 0.00 O ATOM 551 CB LEU A 34 -20.090 -2.623 -6.841 1.00 0.00 C ATOM 552 CG LEU A 34 -19.800 -3.855 -5.965 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.574 -3.414 -4.518 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.974 -4.847 -6.024 1.00 0.00 C ATOM 0 H LEU A 34 -21.827 -2.513 -8.498 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.888 -2.477 -5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.102 -2.913 -7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.292 -1.890 -6.722 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.905 -4.349 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.369 -4.288 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.726 -2.731 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.466 -2.909 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.751 -5.712 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.880 -4.361 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.124 -5.172 -7.053 1.00 0.00 H new ATOM 566 N SER A 35 -22.222 0.061 -5.401 1.00 0.00 N ATOM 567 CA SER A 35 -22.113 1.498 -4.999 1.00 0.00 C ATOM 568 C SER A 35 -21.147 1.632 -3.820 1.00 0.00 C ATOM 569 O SER A 35 -20.700 0.646 -3.268 1.00 0.00 O ATOM 570 CB SER A 35 -23.526 1.907 -4.586 1.00 0.00 C ATOM 571 OG SER A 35 -23.496 3.223 -4.050 1.00 0.00 O ATOM 0 H SER A 35 -23.077 -0.408 -5.100 1.00 0.00 H new ATOM 0 HA SER A 35 -21.732 2.128 -5.803 1.00 0.00 H new ATOM 0 HB2 SER A 35 -24.195 1.867 -5.446 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.917 1.209 -3.846 1.00 0.00 H new ATOM 0 HG SER A 35 -24.401 3.489 -3.786 1.00 0.00 H new ATOM 577 N ILE A 36 -20.822 2.843 -3.423 1.00 0.00 N ATOM 578 CA ILE A 36 -19.877 3.038 -2.271 1.00 0.00 C ATOM 579 C ILE A 36 -20.325 2.210 -1.059 1.00 0.00 C ATOM 580 O ILE A 36 -19.515 1.777 -0.261 1.00 0.00 O ATOM 581 CB ILE A 36 -19.923 4.540 -1.945 1.00 0.00 C ATOM 582 CG1 ILE A 36 -19.377 5.354 -3.132 1.00 0.00 C ATOM 583 CG2 ILE A 36 -19.073 4.823 -0.696 1.00 0.00 C ATOM 584 CD1 ILE A 36 -17.928 4.952 -3.435 1.00 0.00 C ATOM 0 H ILE A 36 -21.169 3.704 -3.846 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.867 2.711 -2.521 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.957 4.831 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.999 5.188 -4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -19.426 6.419 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.107 5.888 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.467 4.257 0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.041 4.525 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.557 5.537 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.307 5.142 -2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.889 3.892 -3.684 1.00 0.00 H new ATOM 596 N GLY A 37 -21.607 1.984 -0.925 1.00 0.00 N ATOM 597 CA GLY A 37 -22.112 1.179 0.225 1.00 0.00 C ATOM 598 C GLY A 37 -21.489 -0.216 0.170 1.00 0.00 C ATOM 599 O GLY A 37 -20.592 -0.532 0.924 1.00 0.00 O ATOM 0 H GLY A 37 -22.326 2.323 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.859 1.667 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -23.199 1.107 0.186 1.00 0.00 H new ATOM 603 N ASP A 38 -21.958 -1.045 -0.725 1.00 0.00 N ATOM 604 CA ASP A 38 -21.399 -2.426 -0.840 1.00 0.00 C ATOM 605 C ASP A 38 -19.941 -2.392 -1.313 1.00 0.00 C ATOM 606 O ASP A 38 -19.225 -3.354 -1.143 1.00 0.00 O ATOM 607 CB ASP A 38 -22.280 -3.134 -1.871 1.00 0.00 C ATOM 608 CG ASP A 38 -22.015 -4.640 -1.822 1.00 0.00 C ATOM 609 OD1 ASP A 38 -22.102 -5.202 -0.743 1.00 0.00 O ATOM 610 OD2 ASP A 38 -21.728 -5.205 -2.864 1.00 0.00 O ATOM 0 H ASP A 38 -22.706 -0.826 -1.383 1.00 0.00 H new ATOM 0 HA ASP A 38 -21.400 -2.939 0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -23.331 -2.932 -1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -22.070 -2.750 -2.869 1.00 0.00 H new ATOM 615 N THR A 39 -19.494 -1.305 -1.901 1.00 0.00 N ATOM 616 CA THR A 39 -18.071 -1.242 -2.371 1.00 0.00 C ATOM 617 C THR A 39 -17.131 -1.083 -1.172 1.00 0.00 C ATOM 618 O THR A 39 -16.122 -1.756 -1.076 1.00 0.00 O ATOM 619 CB THR A 39 -17.997 -0.021 -3.303 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.766 -0.278 -4.468 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.543 0.248 -3.713 1.00 0.00 C ATOM 0 H THR A 39 -20.047 -0.466 -2.075 1.00 0.00 H new ATOM 0 HA THR A 39 -17.766 -2.150 -2.891 1.00 0.00 H new ATOM 0 HB THR A 39 -18.387 0.851 -2.778 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.710 -0.370 -4.223 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.505 1.115 -4.373 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.944 0.443 -2.823 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.145 -0.622 -4.235 1.00 0.00 H new ATOM 629 N ALA A 40 -17.454 -0.201 -0.258 1.00 0.00 N ATOM 630 CA ALA A 40 -16.579 0.003 0.943 1.00 0.00 C ATOM 631 C ALA A 40 -16.305 -1.338 1.630 1.00 0.00 C ATOM 632 O ALA A 40 -15.187 -1.641 2.003 1.00 0.00 O ATOM 633 CB ALA A 40 -17.376 0.926 1.869 1.00 0.00 C ATOM 0 H ALA A 40 -18.286 0.388 -0.290 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.612 0.431 0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.799 1.122 2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.580 1.867 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -18.318 0.447 2.137 1.00 0.00 H new ATOM 639 N LYS A 41 -17.326 -2.138 1.795 1.00 0.00 N ATOM 640 CA LYS A 41 -17.145 -3.466 2.454 1.00 0.00 C ATOM 641 C LYS A 41 -16.583 -4.507 1.467 1.00 0.00 C ATOM 642 O LYS A 41 -16.166 -5.577 1.871 1.00 0.00 O ATOM 643 CB LYS A 41 -18.538 -3.867 2.961 1.00 0.00 C ATOM 644 CG LYS A 41 -19.509 -4.066 1.800 1.00 0.00 C ATOM 645 CD LYS A 41 -20.943 -3.955 2.323 1.00 0.00 C ATOM 646 CE LYS A 41 -21.243 -2.500 2.713 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.731 -2.566 4.119 1.00 0.00 N ATOM 0 H LYS A 41 -18.280 -1.928 1.501 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.425 -3.414 3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.466 -4.787 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.920 -3.097 3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.331 -3.317 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.351 -5.042 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.645 -4.289 1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.077 -4.607 3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.351 -1.879 2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.994 -2.063 2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.956 -1.607 4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.585 -3.157 4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.993 -2.979 4.724 1.00 0.00 H new ATOM 661 N LYS A 42 -16.548 -4.207 0.184 1.00 0.00 N ATOM 662 CA LYS A 42 -15.988 -5.190 -0.806 1.00 0.00 C ATOM 663 C LYS A 42 -14.456 -5.108 -0.849 1.00 0.00 C ATOM 664 O LYS A 42 -13.818 -5.799 -1.623 1.00 0.00 O ATOM 665 CB LYS A 42 -16.566 -4.768 -2.161 1.00 0.00 C ATOM 666 CG LYS A 42 -16.910 -6.002 -2.998 1.00 0.00 C ATOM 667 CD LYS A 42 -18.231 -6.605 -2.510 1.00 0.00 C ATOM 668 CE LYS A 42 -17.949 -7.767 -1.552 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.631 -8.948 -2.153 1.00 0.00 N ATOM 0 H LYS A 42 -16.881 -3.330 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.247 -6.215 -0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.459 -4.162 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.846 -4.148 -2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.991 -5.729 -4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.112 -6.740 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.825 -5.843 -2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.817 -6.956 -3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.878 -7.941 -1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.334 -7.556 -0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.480 -9.781 -1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -19.650 -8.758 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.239 -9.131 -3.099 1.00 0.00 H new ATOM 683 N LEU A 43 -13.858 -4.277 -0.028 1.00 0.00 N ATOM 684 CA LEU A 43 -12.373 -4.159 -0.026 1.00 0.00 C ATOM 685 C LEU A 43 -11.806 -4.838 1.222 1.00 0.00 C ATOM 686 O LEU A 43 -10.708 -5.363 1.208 1.00 0.00 O ATOM 687 CB LEU A 43 -12.101 -2.656 -0.006 1.00 0.00 C ATOM 688 CG LEU A 43 -12.104 -2.120 -1.439 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.402 -0.619 -1.423 1.00 0.00 C ATOM 690 CD2 LEU A 43 -10.735 -2.363 -2.077 1.00 0.00 C ATOM 0 H LEU A 43 -14.340 -3.676 0.641 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.907 -4.638 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.860 -2.146 0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.140 -2.455 0.467 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.871 -2.635 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.404 -0.238 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.378 -0.447 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.636 -0.102 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.737 -1.981 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.968 -1.849 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.524 -3.432 -2.090 1.00 0.00 H new ATOM 702 N GLY A 44 -12.556 -4.839 2.295 1.00 0.00 N ATOM 703 CA GLY A 44 -12.078 -5.492 3.547 1.00 0.00 C ATOM 704 C GLY A 44 -12.274 -7.003 3.422 1.00 0.00 C ATOM 705 O GLY A 44 -11.420 -7.784 3.799 1.00 0.00 O ATOM 0 H GLY A 44 -13.481 -4.414 2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.026 -5.261 3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.630 -5.110 4.406 1.00 0.00 H new ATOM 709 N GLU A 45 -13.398 -7.420 2.889 1.00 0.00 N ATOM 710 CA GLU A 45 -13.668 -8.885 2.725 1.00 0.00 C ATOM 711 C GLU A 45 -12.538 -9.551 1.933 1.00 0.00 C ATOM 712 O GLU A 45 -12.077 -10.625 2.276 1.00 0.00 O ATOM 713 CB GLU A 45 -14.983 -8.965 1.944 1.00 0.00 C ATOM 714 CG GLU A 45 -16.154 -9.069 2.924 1.00 0.00 C ATOM 715 CD GLU A 45 -16.233 -10.493 3.477 1.00 0.00 C ATOM 716 OE1 GLU A 45 -16.762 -11.348 2.787 1.00 0.00 O ATOM 717 OE2 GLU A 45 -15.762 -10.704 4.583 1.00 0.00 O ATOM 0 H GLU A 45 -14.143 -6.806 2.559 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.730 -9.398 3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.099 -8.082 1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.972 -9.830 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.023 -8.358 3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.086 -8.811 2.422 1.00 0.00 H new ATOM 724 N MET A 46 -12.084 -8.914 0.883 1.00 0.00 N ATOM 725 CA MET A 46 -10.974 -9.495 0.071 1.00 0.00 C ATOM 726 C MET A 46 -9.654 -9.350 0.831 1.00 0.00 C ATOM 727 O MET A 46 -8.910 -10.299 0.989 1.00 0.00 O ATOM 728 CB MET A 46 -10.944 -8.674 -1.220 1.00 0.00 C ATOM 729 CG MET A 46 -12.156 -9.031 -2.081 1.00 0.00 C ATOM 730 SD MET A 46 -11.896 -10.650 -2.848 1.00 0.00 S ATOM 731 CE MET A 46 -13.590 -10.897 -3.435 1.00 0.00 C ATOM 0 H MET A 46 -12.436 -8.015 0.553 1.00 0.00 H new ATOM 0 HA MET A 46 -11.118 -10.556 -0.134 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.952 -7.609 -0.986 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.024 -8.873 -1.769 1.00 0.00 H new ATOM 0 HG2 MET A 46 -13.058 -9.047 -1.469 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.306 -8.273 -2.849 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.661 -11.855 -3.950 1.00 0.00 H new ATOM 0 HE2 MET A 46 -14.274 -10.890 -2.586 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.857 -10.095 -4.123 1.00 0.00 H new ATOM 741 N TRP A 47 -9.361 -8.161 1.299 1.00 0.00 N ATOM 742 CA TRP A 47 -8.086 -7.925 2.055 1.00 0.00 C ATOM 743 C TRP A 47 -7.898 -8.974 3.160 1.00 0.00 C ATOM 744 O TRP A 47 -6.870 -9.621 3.243 1.00 0.00 O ATOM 745 CB TRP A 47 -8.239 -6.532 2.667 1.00 0.00 C ATOM 746 CG TRP A 47 -6.955 -6.130 3.320 1.00 0.00 C ATOM 747 CD1 TRP A 47 -6.785 -5.948 4.650 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.666 -5.859 2.700 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.471 -5.582 4.884 1.00 0.00 N ATOM 750 CE2 TRP A 47 -4.742 -5.513 3.713 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.213 -5.880 1.369 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.415 -5.198 3.418 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -3.878 -5.563 1.066 1.00 0.00 C ATOM 754 CH2 TRP A 47 -2.981 -5.224 2.089 1.00 0.00 C ATOM 0 H TRP A 47 -9.953 -7.337 1.190 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.214 -7.999 1.405 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.508 -5.811 1.895 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.047 -6.531 3.398 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.549 -6.068 5.404 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.088 -5.387 5.809 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.896 -6.142 0.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.729 -4.936 4.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.541 -5.581 0.040 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.956 -4.983 1.851 1.00 0.00 H new ATOM 765 N SER A 48 -8.882 -9.144 4.008 1.00 0.00 N ATOM 766 CA SER A 48 -8.764 -10.149 5.112 1.00 0.00 C ATOM 767 C SER A 48 -8.550 -11.552 4.534 1.00 0.00 C ATOM 768 O SER A 48 -7.834 -12.359 5.096 1.00 0.00 O ATOM 769 CB SER A 48 -10.092 -10.079 5.865 1.00 0.00 C ATOM 770 OG SER A 48 -10.064 -10.996 6.951 1.00 0.00 O ATOM 0 H SER A 48 -9.763 -8.630 3.984 1.00 0.00 H new ATOM 0 HA SER A 48 -7.916 -9.941 5.764 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.262 -9.067 6.233 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.917 -10.317 5.194 1.00 0.00 H new ATOM 0 HG SER A 48 -10.914 -10.953 7.437 1.00 0.00 H new ATOM 776 N GLU A 49 -9.164 -11.843 3.415 1.00 0.00 N ATOM 777 CA GLU A 49 -9.000 -13.194 2.794 1.00 0.00 C ATOM 778 C GLU A 49 -7.538 -13.408 2.387 1.00 0.00 C ATOM 779 O GLU A 49 -6.991 -14.482 2.549 1.00 0.00 O ATOM 780 CB GLU A 49 -9.906 -13.187 1.560 1.00 0.00 C ATOM 781 CG GLU A 49 -11.219 -13.904 1.883 1.00 0.00 C ATOM 782 CD GLU A 49 -11.007 -15.417 1.816 1.00 0.00 C ATOM 783 OE1 GLU A 49 -10.427 -15.956 2.744 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.426 -16.012 0.836 1.00 0.00 O ATOM 0 H GLU A 49 -9.772 -11.203 2.904 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.264 -13.998 3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.107 -12.162 1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.406 -13.680 0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.566 -13.619 2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.993 -13.603 1.176 1.00 0.00 H new ATOM 791 N GLN A 50 -6.907 -12.390 1.857 1.00 0.00 N ATOM 792 CA GLN A 50 -5.477 -12.520 1.432 1.00 0.00 C ATOM 793 C GLN A 50 -4.602 -12.950 2.613 1.00 0.00 C ATOM 794 O GLN A 50 -4.932 -12.716 3.760 1.00 0.00 O ATOM 795 CB GLN A 50 -5.071 -11.126 0.948 1.00 0.00 C ATOM 796 CG GLN A 50 -5.810 -10.802 -0.352 1.00 0.00 C ATOM 797 CD GLN A 50 -5.255 -11.668 -1.484 1.00 0.00 C ATOM 798 OE1 GLN A 50 -4.062 -11.879 -1.574 1.00 0.00 O ATOM 799 NE2 GLN A 50 -6.075 -12.182 -2.359 1.00 0.00 N ATOM 0 H GLN A 50 -7.321 -11.471 1.699 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.353 -13.274 0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.308 -10.382 1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.994 -11.085 0.786 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.878 -10.984 -0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.692 -9.746 -0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.077 -12.005 -2.284 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.714 -12.760 -3.118 1.00 0.00 H new ATOM 808 N SER A 51 -3.488 -13.572 2.332 1.00 0.00 N ATOM 809 CA SER A 51 -2.575 -14.020 3.424 1.00 0.00 C ATOM 810 C SER A 51 -1.423 -13.018 3.572 1.00 0.00 C ATOM 811 O SER A 51 -1.582 -11.844 3.291 1.00 0.00 O ATOM 812 CB SER A 51 -2.064 -15.387 2.967 1.00 0.00 C ATOM 813 OG SER A 51 -1.329 -15.990 4.025 1.00 0.00 O ATOM 0 H SER A 51 -3.170 -13.790 1.388 1.00 0.00 H new ATOM 0 HA SER A 51 -3.067 -14.082 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.901 -16.024 2.681 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.432 -15.276 2.086 1.00 0.00 H new ATOM 0 HG SER A 51 -1.001 -16.867 3.737 1.00 0.00 H new ATOM 819 N ALA A 52 -0.269 -13.464 4.004 1.00 0.00 N ATOM 820 CA ALA A 52 0.886 -12.532 4.160 1.00 0.00 C ATOM 821 C ALA A 52 1.694 -12.465 2.859 1.00 0.00 C ATOM 822 O ALA A 52 2.907 -12.562 2.870 1.00 0.00 O ATOM 823 CB ALA A 52 1.729 -13.132 5.286 1.00 0.00 C ATOM 0 H ALA A 52 -0.079 -14.434 4.255 1.00 0.00 H new ATOM 0 HA ALA A 52 0.568 -11.514 4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.601 -12.503 5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.132 -13.189 6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.055 -14.133 5.003 1.00 0.00 H new ATOM 829 N LYS A 53 1.029 -12.299 1.741 1.00 0.00 N ATOM 830 CA LYS A 53 1.755 -12.224 0.438 1.00 0.00 C ATOM 831 C LYS A 53 1.351 -10.955 -0.316 1.00 0.00 C ATOM 832 O LYS A 53 2.191 -10.194 -0.759 1.00 0.00 O ATOM 833 CB LYS A 53 1.315 -13.469 -0.332 1.00 0.00 C ATOM 834 CG LYS A 53 2.073 -14.689 0.194 1.00 0.00 C ATOM 835 CD LYS A 53 1.494 -15.959 -0.434 1.00 0.00 C ATOM 836 CE LYS A 53 2.546 -17.070 -0.400 1.00 0.00 C ATOM 837 NZ LYS A 53 1.782 -18.328 -0.622 1.00 0.00 N ATOM 0 H LYS A 53 0.015 -12.212 1.676 1.00 0.00 H new ATOM 0 HA LYS A 53 2.837 -12.187 0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.241 -13.619 -0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.509 -13.338 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.133 -14.603 -0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.994 -14.739 1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.602 -16.272 0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.190 -15.763 -1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.300 -16.924 -1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.070 -17.089 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.435 -19.137 -0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.076 -18.444 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.300 -18.283 -1.542 1.00 0.00 H new ATOM 851 N ASP A 54 0.071 -10.724 -0.459 1.00 0.00 N ATOM 852 CA ASP A 54 -0.398 -9.501 -1.183 1.00 0.00 C ATOM 853 C ASP A 54 0.023 -8.238 -0.426 1.00 0.00 C ATOM 854 O ASP A 54 0.154 -7.176 -1.005 1.00 0.00 O ATOM 855 CB ASP A 54 -1.924 -9.617 -1.224 1.00 0.00 C ATOM 856 CG ASP A 54 -2.483 -8.639 -2.258 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.289 -7.447 -2.084 1.00 0.00 O ATOM 858 OD2 ASP A 54 -3.097 -9.099 -3.208 1.00 0.00 O ATOM 0 H ASP A 54 -0.671 -11.329 -0.106 1.00 0.00 H new ATOM 0 HA ASP A 54 0.031 -9.429 -2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.215 -10.636 -1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.342 -9.401 -0.241 1.00 0.00 H new ATOM 863 N LYS A 55 0.234 -8.345 0.863 1.00 0.00 N ATOM 864 CA LYS A 55 0.646 -7.150 1.659 1.00 0.00 C ATOM 865 C LYS A 55 2.153 -6.915 1.529 1.00 0.00 C ATOM 866 O LYS A 55 2.606 -5.793 1.526 1.00 0.00 O ATOM 867 CB LYS A 55 0.278 -7.484 3.106 1.00 0.00 C ATOM 868 CG LYS A 55 0.609 -6.291 4.009 1.00 0.00 C ATOM 869 CD LYS A 55 -0.215 -6.380 5.295 1.00 0.00 C ATOM 870 CE LYS A 55 0.335 -5.388 6.322 1.00 0.00 C ATOM 871 NZ LYS A 55 -0.668 -5.379 7.424 1.00 0.00 N ATOM 0 H LYS A 55 0.138 -9.209 1.397 1.00 0.00 H new ATOM 0 HA LYS A 55 0.154 -6.241 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.783 -7.723 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.826 -8.366 3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.673 -6.285 4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.393 -5.357 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.262 -6.160 5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.176 -7.393 5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.316 -5.697 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.453 -4.395 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.360 -4.721 8.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.590 -5.074 7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.754 -6.336 7.823 1.00 0.00 H new ATOM 885 N GLN A 56 2.931 -7.970 1.439 1.00 0.00 N ATOM 886 CA GLN A 56 4.426 -7.826 1.330 1.00 0.00 C ATOM 887 C GLN A 56 4.830 -6.724 0.326 1.00 0.00 C ATOM 888 O GLN A 56 5.604 -5.850 0.665 1.00 0.00 O ATOM 889 CB GLN A 56 4.918 -9.193 0.843 1.00 0.00 C ATOM 890 CG GLN A 56 5.440 -10.006 2.031 1.00 0.00 C ATOM 891 CD GLN A 56 6.809 -9.471 2.456 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.773 -9.588 1.727 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.934 -8.883 3.614 1.00 0.00 N ATOM 0 H GLN A 56 2.594 -8.933 1.436 1.00 0.00 H new ATOM 0 HA GLN A 56 4.863 -7.534 2.285 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.106 -9.729 0.352 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.708 -9.064 0.103 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.739 -9.943 2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.518 -11.058 1.758 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.124 -8.785 4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.842 -8.521 3.907 1.00 0.00 H new ATOM 902 N PRO A 57 4.303 -6.792 -0.877 1.00 0.00 N ATOM 903 CA PRO A 57 4.639 -5.770 -1.898 1.00 0.00 C ATOM 904 C PRO A 57 3.843 -4.479 -1.665 1.00 0.00 C ATOM 905 O PRO A 57 4.339 -3.389 -1.880 1.00 0.00 O ATOM 906 CB PRO A 57 4.215 -6.420 -3.208 1.00 0.00 C ATOM 907 CG PRO A 57 3.144 -7.393 -2.833 1.00 0.00 C ATOM 908 CD PRO A 57 3.376 -7.805 -1.402 1.00 0.00 C ATOM 0 HA PRO A 57 5.692 -5.488 -1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.843 -5.677 -3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.054 -6.924 -3.688 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.159 -6.939 -2.945 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.171 -8.262 -3.490 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.444 -7.822 -0.837 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.804 -8.806 -1.341 1.00 0.00 H new ATOM 916 N TYR A 58 2.604 -4.596 -1.260 1.00 0.00 N ATOM 917 CA TYR A 58 1.755 -3.379 -1.048 1.00 0.00 C ATOM 918 C TYR A 58 1.967 -2.762 0.348 1.00 0.00 C ATOM 919 O TYR A 58 1.295 -1.812 0.706 1.00 0.00 O ATOM 920 CB TYR A 58 0.310 -3.879 -1.202 1.00 0.00 C ATOM 921 CG TYR A 58 -0.408 -3.054 -2.246 1.00 0.00 C ATOM 922 CD1 TYR A 58 -0.320 -3.408 -3.598 1.00 0.00 C ATOM 923 CD2 TYR A 58 -1.158 -1.936 -1.862 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.982 -2.644 -4.566 1.00 0.00 C ATOM 925 CE2 TYR A 58 -1.822 -1.172 -2.831 1.00 0.00 C ATOM 926 CZ TYR A 58 -1.733 -1.527 -4.182 1.00 0.00 C ATOM 927 OH TYR A 58 -2.385 -0.773 -5.137 1.00 0.00 O ATOM 0 H TYR A 58 2.140 -5.484 -1.066 1.00 0.00 H new ATOM 0 HA TYR A 58 2.008 -2.591 -1.758 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.308 -4.930 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.212 -3.810 -0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.259 -4.271 -3.894 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.225 -1.662 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.913 -2.916 -5.609 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.402 -0.310 -2.536 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.635 -1.346 -5.892 1.00 0.00 H new ATOM 937 N GLU A 59 2.882 -3.279 1.134 1.00 0.00 N ATOM 938 CA GLU A 59 3.108 -2.697 2.496 1.00 0.00 C ATOM 939 C GLU A 59 4.332 -1.771 2.487 1.00 0.00 C ATOM 940 O GLU A 59 4.449 -0.879 3.308 1.00 0.00 O ATOM 941 CB GLU A 59 3.327 -3.899 3.428 1.00 0.00 C ATOM 942 CG GLU A 59 4.600 -4.665 3.029 1.00 0.00 C ATOM 943 CD GLU A 59 5.665 -4.507 4.117 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.520 -5.130 5.155 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.607 -3.764 3.892 1.00 0.00 O ATOM 0 H GLU A 59 3.477 -4.072 0.894 1.00 0.00 H new ATOM 0 HA GLU A 59 2.264 -2.091 2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.410 -3.557 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.465 -4.565 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.370 -5.720 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.979 -4.288 2.079 1.00 0.00 H new ATOM 952 N GLN A 60 5.239 -1.970 1.560 1.00 0.00 N ATOM 953 CA GLN A 60 6.449 -1.095 1.492 1.00 0.00 C ATOM 954 C GLN A 60 6.087 0.265 0.883 1.00 0.00 C ATOM 955 O GLN A 60 6.755 1.255 1.115 1.00 0.00 O ATOM 956 CB GLN A 60 7.454 -1.844 0.607 1.00 0.00 C ATOM 957 CG GLN A 60 6.853 -2.100 -0.778 1.00 0.00 C ATOM 958 CD GLN A 60 7.978 -2.373 -1.779 1.00 0.00 C ATOM 959 OE1 GLN A 60 8.786 -3.256 -1.576 1.00 0.00 O ATOM 960 NE2 GLN A 60 8.064 -1.645 -2.859 1.00 0.00 N ATOM 0 H GLN A 60 5.192 -2.700 0.849 1.00 0.00 H new ATOM 0 HA GLN A 60 6.865 -0.896 2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.370 -1.261 0.512 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.726 -2.791 1.074 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.172 -2.950 -0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.268 -1.237 -1.098 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.385 -0.903 -3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.810 -1.818 -3.533 1.00 0.00 H new ATOM 969 N LYS A 61 5.028 0.320 0.110 1.00 0.00 N ATOM 970 CA LYS A 61 4.611 1.616 -0.512 1.00 0.00 C ATOM 971 C LYS A 61 4.276 2.632 0.580 1.00 0.00 C ATOM 972 O LYS A 61 4.610 3.797 0.476 1.00 0.00 O ATOM 973 CB LYS A 61 3.369 1.279 -1.348 1.00 0.00 C ATOM 974 CG LYS A 61 2.829 2.546 -2.016 1.00 0.00 C ATOM 975 CD LYS A 61 1.891 2.159 -3.161 1.00 0.00 C ATOM 976 CE LYS A 61 1.646 3.377 -4.054 1.00 0.00 C ATOM 977 NZ LYS A 61 0.731 4.250 -3.267 1.00 0.00 N ATOM 0 H LYS A 61 4.434 -0.478 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 61 5.397 2.057 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.621 0.537 -2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.601 0.837 -0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.297 3.156 -1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.654 3.150 -2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.328 1.349 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.946 1.791 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.579 3.890 -4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.196 3.087 -5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.461 5.075 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.122 3.715 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.214 4.570 -2.404 1.00 0.00 H new ATOM 991 N ALA A 62 3.630 2.195 1.631 1.00 0.00 N ATOM 992 CA ALA A 62 3.285 3.132 2.740 1.00 0.00 C ATOM 993 C ALA A 62 4.515 3.395 3.619 1.00 0.00 C ATOM 994 O ALA A 62 4.524 4.315 4.416 1.00 0.00 O ATOM 995 CB ALA A 62 2.194 2.425 3.540 1.00 0.00 C ATOM 0 H ALA A 62 3.327 1.231 1.768 1.00 0.00 H new ATOM 0 HA ALA A 62 2.950 4.100 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.889 3.056 4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.336 2.235 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.578 1.479 3.921 1.00 0.00 H new ATOM 1001 N ALA A 63 5.558 2.611 3.467 1.00 0.00 N ATOM 1002 CA ALA A 63 6.790 2.836 4.280 1.00 0.00 C ATOM 1003 C ALA A 63 7.654 3.938 3.645 1.00 0.00 C ATOM 1004 O ALA A 63 8.718 4.258 4.140 1.00 0.00 O ATOM 1005 CB ALA A 63 7.529 1.497 4.260 1.00 0.00 C ATOM 0 H ALA A 63 5.606 1.828 2.816 1.00 0.00 H new ATOM 0 HA ALA A 63 6.560 3.160 5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.449 1.581 4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.895 0.725 4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.770 1.230 3.231 1.00 0.00 H new ATOM 1011 N LYS A 64 7.204 4.528 2.556 1.00 0.00 N ATOM 1012 CA LYS A 64 7.990 5.609 1.899 1.00 0.00 C ATOM 1013 C LYS A 64 7.358 6.966 2.206 1.00 0.00 C ATOM 1014 O LYS A 64 8.035 7.973 2.294 1.00 0.00 O ATOM 1015 CB LYS A 64 7.885 5.310 0.407 1.00 0.00 C ATOM 1016 CG LYS A 64 8.851 4.183 0.038 1.00 0.00 C ATOM 1017 CD LYS A 64 10.293 4.654 0.243 1.00 0.00 C ATOM 1018 CE LYS A 64 11.220 3.884 -0.700 1.00 0.00 C ATOM 1019 NZ LYS A 64 11.459 2.579 -0.021 1.00 0.00 N ATOM 0 H LYS A 64 6.321 4.300 2.099 1.00 0.00 H new ATOM 0 HA LYS A 64 9.024 5.644 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.864 5.024 0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.117 6.205 -0.170 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.654 3.305 0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.699 3.885 -1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.368 5.724 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.595 4.494 1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.760 3.742 -1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.154 4.422 -0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.087 1.993 -0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.904 2.745 0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.553 2.087 0.114 1.00 0.00 H new ATOM 1033 N LEU A 65 6.064 6.986 2.387 1.00 0.00 N ATOM 1034 CA LEU A 65 5.365 8.264 2.711 1.00 0.00 C ATOM 1035 C LEU A 65 5.381 8.520 4.228 1.00 0.00 C ATOM 1036 O LEU A 65 4.844 9.505 4.699 1.00 0.00 O ATOM 1037 CB LEU A 65 3.932 8.061 2.218 1.00 0.00 C ATOM 1038 CG LEU A 65 3.863 8.346 0.718 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.418 7.149 -0.056 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.408 8.584 0.311 1.00 0.00 C ATOM 0 H LEU A 65 5.458 6.168 2.324 1.00 0.00 H new ATOM 0 HA LEU A 65 5.844 9.124 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.608 7.040 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.254 8.723 2.756 1.00 0.00 H new ATOM 0 HG LEU A 65 4.455 9.232 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.369 7.353 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.455 6.978 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.827 6.262 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.358 8.787 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.817 7.698 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.011 9.437 0.861 1.00 0.00 H new ATOM 1052 N LYS A 66 5.999 7.649 4.996 1.00 0.00 N ATOM 1053 CA LYS A 66 6.056 7.851 6.474 1.00 0.00 C ATOM 1054 C LYS A 66 7.358 8.565 6.840 1.00 0.00 C ATOM 1055 O LYS A 66 7.402 9.371 7.750 1.00 0.00 O ATOM 1056 CB LYS A 66 6.032 6.441 7.066 1.00 0.00 C ATOM 1057 CG LYS A 66 5.906 6.527 8.590 1.00 0.00 C ATOM 1058 CD LYS A 66 4.439 6.364 8.993 1.00 0.00 C ATOM 1059 CE LYS A 66 4.356 5.657 10.349 1.00 0.00 C ATOM 1060 NZ LYS A 66 3.098 4.861 10.289 1.00 0.00 N ATOM 0 H LYS A 66 6.465 6.807 4.658 1.00 0.00 H new ATOM 0 HA LYS A 66 5.233 8.460 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.196 5.876 6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.943 5.906 6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.511 5.751 9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.286 7.485 8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.956 7.340 9.050 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.905 5.788 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.222 5.016 10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.330 6.375 11.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.970 4.346 11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.291 5.499 10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.154 4.181 9.504 1.00 0.00 H new ATOM 1074 N GLU A 67 8.412 8.282 6.120 1.00 0.00 N ATOM 1075 CA GLU A 67 9.720 8.948 6.394 1.00 0.00 C ATOM 1076 C GLU A 67 9.773 10.325 5.713 1.00 0.00 C ATOM 1077 O GLU A 67 10.647 11.124 5.989 1.00 0.00 O ATOM 1078 CB GLU A 67 10.773 8.013 5.798 1.00 0.00 C ATOM 1079 CG GLU A 67 10.959 6.803 6.715 1.00 0.00 C ATOM 1080 CD GLU A 67 12.206 6.026 6.291 1.00 0.00 C ATOM 1081 OE1 GLU A 67 13.260 6.635 6.207 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.086 4.834 6.059 1.00 0.00 O ATOM 0 H GLU A 67 8.423 7.614 5.349 1.00 0.00 H new ATOM 0 HA GLU A 67 9.880 9.117 7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.464 7.686 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.719 8.542 5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.056 7.130 7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.082 6.158 6.665 1.00 0.00 H new ATOM 1089 N LYS A 68 8.834 10.611 4.840 1.00 0.00 N ATOM 1090 CA LYS A 68 8.813 11.937 4.156 1.00 0.00 C ATOM 1091 C LYS A 68 7.705 12.803 4.757 1.00 0.00 C ATOM 1092 O LYS A 68 7.794 14.015 4.781 1.00 0.00 O ATOM 1093 CB LYS A 68 8.515 11.623 2.690 1.00 0.00 C ATOM 1094 CG LYS A 68 9.741 10.976 2.044 1.00 0.00 C ATOM 1095 CD LYS A 68 9.499 10.813 0.542 1.00 0.00 C ATOM 1096 CE LYS A 68 10.631 9.987 -0.071 1.00 0.00 C ATOM 1097 NZ LYS A 68 10.471 10.150 -1.543 1.00 0.00 N ATOM 0 H LYS A 68 8.080 9.978 4.574 1.00 0.00 H new ATOM 0 HA LYS A 68 9.750 12.483 4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.658 10.954 2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.251 12.537 2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.624 11.592 2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.936 10.005 2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.541 10.322 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.448 11.791 0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.606 10.344 0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.558 8.939 0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.213 9.612 -2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.537 9.796 -1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.552 11.157 -1.792 1.00 0.00 H new ATOM 1111 N TYR A 69 6.663 12.181 5.252 1.00 0.00 N ATOM 1112 CA TYR A 69 5.541 12.950 5.866 1.00 0.00 C ATOM 1113 C TYR A 69 5.959 13.449 7.255 1.00 0.00 C ATOM 1114 O TYR A 69 5.882 14.626 7.546 1.00 0.00 O ATOM 1115 CB TYR A 69 4.379 11.944 5.964 1.00 0.00 C ATOM 1116 CG TYR A 69 3.227 12.529 6.759 1.00 0.00 C ATOM 1117 CD1 TYR A 69 2.723 13.795 6.440 1.00 0.00 C ATOM 1118 CD2 TYR A 69 2.671 11.802 7.819 1.00 0.00 C ATOM 1119 CE1 TYR A 69 1.662 14.333 7.177 1.00 0.00 C ATOM 1120 CE2 TYR A 69 1.610 12.341 8.557 1.00 0.00 C ATOM 1121 CZ TYR A 69 1.106 13.607 8.235 1.00 0.00 C ATOM 1122 OH TYR A 69 0.060 14.138 8.963 1.00 0.00 O ATOM 0 H TYR A 69 6.543 11.168 5.256 1.00 0.00 H new ATOM 0 HA TYR A 69 5.260 13.828 5.285 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.038 11.677 4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.726 11.026 6.439 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.153 14.357 5.624 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.060 10.826 8.067 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.272 15.309 6.929 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.181 11.780 9.374 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.208 13.504 9.660 1.00 0.00 H new ATOM 1132 N GLU A 70 6.394 12.557 8.107 1.00 0.00 N ATOM 1133 CA GLU A 70 6.811 12.970 9.486 1.00 0.00 C ATOM 1134 C GLU A 70 8.086 13.822 9.451 1.00 0.00 C ATOM 1135 O GLU A 70 8.431 14.461 10.429 1.00 0.00 O ATOM 1136 CB GLU A 70 7.068 11.660 10.234 1.00 0.00 C ATOM 1137 CG GLU A 70 5.735 10.965 10.520 1.00 0.00 C ATOM 1138 CD GLU A 70 5.151 11.496 11.831 1.00 0.00 C ATOM 1139 OE1 GLU A 70 4.497 12.525 11.790 1.00 0.00 O ATOM 1140 OE2 GLU A 70 5.370 10.866 12.852 1.00 0.00 O ATOM 0 H GLU A 70 6.479 11.560 7.910 1.00 0.00 H new ATOM 0 HA GLU A 70 6.047 13.581 9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.709 11.009 9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.594 11.859 11.168 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.038 11.142 9.701 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.882 9.887 10.586 1.00 0.00 H new ATOM 1147 N LYS A 71 8.792 13.835 8.346 1.00 0.00 N ATOM 1148 CA LYS A 71 10.046 14.645 8.269 1.00 0.00 C ATOM 1149 C LYS A 71 9.799 15.955 7.516 1.00 0.00 C ATOM 1150 O LYS A 71 10.439 16.957 7.776 1.00 0.00 O ATOM 1151 CB LYS A 71 11.036 13.765 7.504 1.00 0.00 C ATOM 1152 CG LYS A 71 11.347 12.512 8.326 1.00 0.00 C ATOM 1153 CD LYS A 71 12.707 11.952 7.908 1.00 0.00 C ATOM 1154 CE LYS A 71 13.007 10.685 8.713 1.00 0.00 C ATOM 1155 NZ LYS A 71 14.487 10.534 8.654 1.00 0.00 N ATOM 0 H LYS A 71 8.554 13.321 7.497 1.00 0.00 H new ATOM 0 HA LYS A 71 10.417 14.920 9.257 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.618 13.484 6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.953 14.319 7.305 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.352 12.754 9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.571 11.762 8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.707 11.727 6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.486 12.696 8.077 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.660 10.780 9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.504 9.817 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.771 9.686 9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.787 10.439 7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.938 11.372 9.074 1.00 0.00 H new ATOM 1169 N ASP A 72 8.883 15.952 6.579 1.00 0.00 N ATOM 1170 CA ASP A 72 8.602 17.195 5.798 1.00 0.00 C ATOM 1171 C ASP A 72 7.469 18.001 6.444 1.00 0.00 C ATOM 1172 O ASP A 72 7.439 19.214 6.358 1.00 0.00 O ATOM 1173 CB ASP A 72 8.183 16.704 4.413 1.00 0.00 C ATOM 1174 CG ASP A 72 8.220 17.871 3.424 1.00 0.00 C ATOM 1175 OD1 ASP A 72 9.303 18.376 3.176 1.00 0.00 O ATOM 1176 OD2 ASP A 72 7.167 18.238 2.932 1.00 0.00 O ATOM 0 H ASP A 72 8.318 15.142 6.322 1.00 0.00 H new ATOM 0 HA ASP A 72 9.469 17.854 5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.851 15.910 4.080 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.180 16.280 4.454 1.00 0.00 H new ATOM 1181 N ILE A 73 6.536 17.339 7.081 1.00 0.00 N ATOM 1182 CA ILE A 73 5.400 18.074 7.723 1.00 0.00 C ATOM 1183 C ILE A 73 5.897 18.940 8.896 1.00 0.00 C ATOM 1184 O ILE A 73 5.201 19.829 9.352 1.00 0.00 O ATOM 1185 CB ILE A 73 4.416 16.980 8.186 1.00 0.00 C ATOM 1186 CG1 ILE A 73 3.047 17.614 8.442 1.00 0.00 C ATOM 1187 CG2 ILE A 73 4.908 16.293 9.467 1.00 0.00 C ATOM 1188 CD1 ILE A 73 2.271 17.693 7.126 1.00 0.00 C ATOM 0 H ILE A 73 6.510 16.325 7.185 1.00 0.00 H new ATOM 0 HA ILE A 73 4.918 18.768 7.034 1.00 0.00 H new ATOM 0 HB ILE A 73 4.345 16.226 7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.491 17.024 9.170 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.169 18.611 8.866 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.193 15.527 9.767 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.878 15.831 9.283 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.004 17.032 10.263 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.295 18.144 7.306 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.826 18.301 6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.138 16.690 6.721 1.00 0.00 H new ATOM 1200 N ALA A 74 7.094 18.695 9.380 1.00 0.00 N ATOM 1201 CA ALA A 74 7.628 19.512 10.511 1.00 0.00 C ATOM 1202 C ALA A 74 8.034 20.893 9.999 1.00 0.00 C ATOM 1203 O ALA A 74 7.686 21.907 10.572 1.00 0.00 O ATOM 1204 CB ALA A 74 8.850 18.746 11.022 1.00 0.00 C ATOM 0 H ALA A 74 7.720 17.966 9.039 1.00 0.00 H new ATOM 0 HA ALA A 74 6.892 19.662 11.301 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.296 19.288 11.856 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.544 17.754 11.355 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.581 18.650 10.219 1.00 0.00 H new ATOM 1210 N ALA A 75 8.759 20.933 8.910 1.00 0.00 N ATOM 1211 CA ALA A 75 9.184 22.241 8.333 1.00 0.00 C ATOM 1212 C ALA A 75 8.055 22.818 7.473 1.00 0.00 C ATOM 1213 O ALA A 75 7.939 24.019 7.310 1.00 0.00 O ATOM 1214 CB ALA A 75 10.405 21.918 7.472 1.00 0.00 C ATOM 0 H ALA A 75 9.075 20.112 8.395 1.00 0.00 H new ATOM 0 HA ALA A 75 9.416 22.980 9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.778 22.833 7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.185 21.482 8.096 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.124 21.208 6.694 1.00 0.00 H new ATOM 1220 N TYR A 76 7.220 21.968 6.929 1.00 0.00 N ATOM 1221 CA TYR A 76 6.089 22.454 6.083 1.00 0.00 C ATOM 1222 C TYR A 76 5.130 23.294 6.929 1.00 0.00 C ATOM 1223 O TYR A 76 4.686 24.349 6.518 1.00 0.00 O ATOM 1224 CB TYR A 76 5.392 21.187 5.576 1.00 0.00 C ATOM 1225 CG TYR A 76 4.314 21.567 4.590 1.00 0.00 C ATOM 1226 CD1 TYR A 76 4.640 21.777 3.244 1.00 0.00 C ATOM 1227 CD2 TYR A 76 2.990 21.707 5.018 1.00 0.00 C ATOM 1228 CE1 TYR A 76 3.641 22.129 2.329 1.00 0.00 C ATOM 1229 CE2 TYR A 76 1.990 22.058 4.103 1.00 0.00 C ATOM 1230 CZ TYR A 76 2.316 22.270 2.758 1.00 0.00 C ATOM 1231 OH TYR A 76 1.331 22.617 1.856 1.00 0.00 O ATOM 0 H TYR A 76 7.274 20.955 7.035 1.00 0.00 H new ATOM 0 HA TYR A 76 6.428 23.084 5.260 1.00 0.00 H new ATOM 0 HB2 TYR A 76 6.117 20.525 5.102 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.958 20.638 6.412 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.662 21.667 2.912 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.739 21.544 6.056 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.893 22.292 1.291 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.968 22.165 4.435 1.00 0.00 H new ATOM 0 HH TYR A 76 0.469 22.671 2.318 1.00 0.00 H new ATOM 1241 N ARG A 77 4.811 22.830 8.111 1.00 0.00 N ATOM 1242 CA ARG A 77 3.881 23.596 8.997 1.00 0.00 C ATOM 1243 C ARG A 77 4.483 24.963 9.335 1.00 0.00 C ATOM 1244 O ARG A 77 4.045 25.983 8.839 1.00 0.00 O ATOM 1245 CB ARG A 77 3.736 22.748 10.263 1.00 0.00 C ATOM 1246 CG ARG A 77 2.718 21.631 10.016 1.00 0.00 C ATOM 1247 CD ARG A 77 2.371 20.955 11.345 1.00 0.00 C ATOM 1248 NE ARG A 77 1.059 20.292 11.108 1.00 0.00 N ATOM 1249 CZ ARG A 77 0.812 19.125 11.635 1.00 0.00 C ATOM 1250 NH1 ARG A 77 0.740 18.997 12.933 1.00 0.00 N ATOM 1251 NH2 ARG A 77 0.640 18.084 10.867 1.00 0.00 N ATOM 0 H ARG A 77 5.155 21.953 8.501 1.00 0.00 H new ATOM 0 HA ARG A 77 2.918 23.778 8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.700 22.321 10.540 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.412 23.372 11.096 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.818 22.040 9.557 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.127 20.899 9.319 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.134 20.230 11.630 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.305 21.683 12.153 1.00 0.00 H new ATOM 0 HE ARG A 77 0.353 20.751 10.533 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.877 19.810 13.534 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.547 18.084 13.346 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.699 18.183 9.853 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.447 17.172 11.280 1.00 0.00 H new ATOM 1265 N ALA A 78 5.488 24.989 10.178 1.00 0.00 N ATOM 1266 CA ALA A 78 6.138 26.287 10.564 1.00 0.00 C ATOM 1267 C ALA A 78 5.090 27.290 11.064 1.00 0.00 C ATOM 1268 O ALA A 78 5.085 28.442 10.672 1.00 0.00 O ATOM 1269 CB ALA A 78 6.810 26.803 9.288 1.00 0.00 C ATOM 0 H ALA A 78 5.890 24.162 10.619 1.00 0.00 H new ATOM 0 HA ALA A 78 6.855 26.153 11.374 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.306 27.751 9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.546 26.076 8.945 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.057 26.950 8.514 1.00 0.00 H new ATOM 1275 N LYS A 79 4.206 26.854 11.924 1.00 0.00 N ATOM 1276 CA LYS A 79 3.154 27.771 12.455 1.00 0.00 C ATOM 1277 C LYS A 79 3.682 28.537 13.670 1.00 0.00 C ATOM 1278 O LYS A 79 4.168 27.894 14.586 1.00 0.00 O ATOM 1279 CB LYS A 79 1.999 26.854 12.859 1.00 0.00 C ATOM 1280 CG LYS A 79 0.940 26.841 11.753 1.00 0.00 C ATOM 1281 CD LYS A 79 0.086 25.577 11.881 1.00 0.00 C ATOM 1282 CE LYS A 79 -0.375 25.130 10.492 1.00 0.00 C ATOM 1283 NZ LYS A 79 -1.584 24.295 10.739 1.00 0.00 N ATOM 1284 OXT LYS A 79 3.591 29.754 13.665 1.00 0.00 O ATOM 0 H LYS A 79 4.168 25.900 12.282 1.00 0.00 H new ATOM 0 HA LYS A 79 2.847 28.516 11.721 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.368 25.844 13.034 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.558 27.199 13.794 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.310 27.728 11.827 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.420 26.871 10.775 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.661 24.783 12.358 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.777 25.771 12.517 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.609 25.986 9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.402 24.560 9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.959 23.951 9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.329 23.484 11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.308 24.866 11.219 1.00 0.00 H new TER 1298 LYS A 79