USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 710 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 25 LYS NZ :NH3+ 157:sc= -0.274 (180deg=-1.02) USER MOD Set 1.2: A 46 CYS SG : rot 88:sc= -1.09 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.9!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -170:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.998 K(o=-1,f=-2.7!) USER MOD Single : A 18 TYR OH : rot -132:sc= 0.355 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.195 K(o=-0.2,f=-0.76) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -75:sc= 0.53 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0588 USER MOD Single : A 58 LYS NZ :NH3+ -135:sc= 0.0506 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.27) USER MOD Single : A 74 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.749) USER MOD Single : A 79 SER OG : rot -114:sc= 0.322 USER MOD Single : A 81 LYS NZ :NH3+ -143:sc= -1.01 (180deg=-2.84!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -153:sc= -1.13 (180deg=-2.59!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 77:sc= 0.171 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.044 11.740 -15.522 1.00 0.00 N ATOM 2 CA GLY A 1 2.907 12.639 -15.586 1.00 0.00 C ATOM 3 C GLY A 1 3.145 13.810 -16.519 1.00 0.00 C ATOM 4 O GLY A 1 4.068 14.598 -16.313 1.00 0.00 O ATOM 0 H1 GLY A 1 3.831 10.957 -14.872 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.239 11.359 -16.470 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.878 12.258 -15.179 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.029 12.086 -15.919 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.687 13.014 -14.586 1.00 0.00 H new ATOM 8 N SER A 2 2.312 13.924 -17.548 1.00 0.00 N ATOM 9 CA SER A 2 2.440 15.003 -18.520 1.00 0.00 C ATOM 10 C SER A 2 2.389 16.364 -17.831 1.00 0.00 C ATOM 11 O SER A 2 2.235 16.448 -16.612 1.00 0.00 O ATOM 12 CB SER A 2 1.331 14.909 -19.569 1.00 0.00 C ATOM 13 OG SER A 2 1.325 13.636 -20.192 1.00 0.00 O ATOM 0 H SER A 2 1.541 13.282 -17.730 1.00 0.00 H new ATOM 0 HA SER A 2 3.406 14.900 -19.014 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.365 15.092 -19.099 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.471 15.685 -20.322 1.00 0.00 H new ATOM 0 HG SER A 2 0.606 13.601 -20.857 1.00 0.00 H new ATOM 19 N SER A 3 2.519 17.425 -18.619 1.00 0.00 N ATOM 20 CA SER A 3 2.492 18.782 -18.085 1.00 0.00 C ATOM 21 C SER A 3 1.059 19.292 -17.974 1.00 0.00 C ATOM 22 O SER A 3 0.716 20.016 -17.040 1.00 0.00 O ATOM 23 CB SER A 3 3.312 19.719 -18.974 1.00 0.00 C ATOM 24 OG SER A 3 2.695 19.891 -20.239 1.00 0.00 O ATOM 0 H SER A 3 2.644 17.372 -19.630 1.00 0.00 H new ATOM 0 HA SER A 3 2.931 18.763 -17.088 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.421 20.687 -18.485 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.315 19.314 -19.107 1.00 0.00 H new ATOM 0 HG SER A 3 3.237 20.495 -20.788 1.00 0.00 H new ATOM 30 N GLY A 4 0.224 18.911 -18.936 1.00 0.00 N ATOM 31 CA GLY A 4 -1.162 19.339 -18.929 1.00 0.00 C ATOM 32 C GLY A 4 -2.119 18.215 -19.275 1.00 0.00 C ATOM 33 O GLY A 4 -2.611 18.134 -20.400 1.00 0.00 O ATOM 0 H GLY A 4 0.483 18.313 -19.721 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.412 19.734 -17.944 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.291 20.154 -19.642 1.00 0.00 H new ATOM 37 N SER A 5 -2.381 17.343 -18.306 1.00 0.00 N ATOM 38 CA SER A 5 -3.279 16.215 -18.515 1.00 0.00 C ATOM 39 C SER A 5 -3.864 15.732 -17.190 1.00 0.00 C ATOM 40 O SER A 5 -3.236 15.862 -16.139 1.00 0.00 O ATOM 41 CB SER A 5 -2.540 15.069 -19.207 1.00 0.00 C ATOM 42 OG SER A 5 -3.431 14.274 -19.969 1.00 0.00 O ATOM 0 H SER A 5 -1.983 17.397 -17.368 1.00 0.00 H new ATOM 0 HA SER A 5 -4.097 16.548 -19.153 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.763 15.473 -19.856 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.043 14.450 -18.461 1.00 0.00 H new ATOM 0 HG SER A 5 -2.934 13.549 -20.403 1.00 0.00 H new ATOM 48 N SER A 6 -5.070 15.177 -17.250 1.00 0.00 N ATOM 49 CA SER A 6 -5.741 14.679 -16.056 1.00 0.00 C ATOM 50 C SER A 6 -5.612 13.161 -15.954 1.00 0.00 C ATOM 51 O SER A 6 -5.610 12.599 -14.859 1.00 0.00 O ATOM 52 CB SER A 6 -7.219 15.075 -16.073 1.00 0.00 C ATOM 53 OG SER A 6 -7.980 14.175 -16.859 1.00 0.00 O ATOM 0 H SER A 6 -5.602 15.061 -18.113 1.00 0.00 H new ATOM 0 HA SER A 6 -5.261 15.128 -15.186 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.606 15.090 -15.054 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.323 16.085 -16.468 1.00 0.00 H new ATOM 0 HG SER A 6 -8.921 14.449 -16.852 1.00 0.00 H new ATOM 59 N GLY A 7 -5.505 12.503 -17.104 1.00 0.00 N ATOM 60 CA GLY A 7 -5.377 11.058 -17.123 1.00 0.00 C ATOM 61 C GLY A 7 -6.697 10.356 -16.872 1.00 0.00 C ATOM 62 O GLY A 7 -7.673 10.984 -16.463 1.00 0.00 O ATOM 0 H GLY A 7 -5.505 12.945 -18.023 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.980 10.744 -18.088 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.656 10.750 -16.366 1.00 0.00 H new ATOM 66 N MET A 8 -6.727 9.051 -17.120 1.00 0.00 N ATOM 67 CA MET A 8 -7.938 8.263 -16.919 1.00 0.00 C ATOM 68 C MET A 8 -8.081 7.849 -15.458 1.00 0.00 C ATOM 69 O MET A 8 -7.101 7.557 -14.772 1.00 0.00 O ATOM 70 CB MET A 8 -7.919 7.022 -17.813 1.00 0.00 C ATOM 71 CG MET A 8 -6.854 6.009 -17.424 1.00 0.00 C ATOM 72 SD MET A 8 -6.289 5.021 -18.823 1.00 0.00 S ATOM 73 CE MET A 8 -5.046 4.001 -18.037 1.00 0.00 C ATOM 0 H MET A 8 -5.927 8.517 -17.460 1.00 0.00 H new ATOM 0 HA MET A 8 -8.793 8.883 -17.188 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.897 6.542 -17.775 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.755 7.331 -18.846 1.00 0.00 H new ATOM 0 HG2 MET A 8 -6.003 6.532 -16.987 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.251 5.347 -16.654 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.603 3.333 -18.776 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.270 4.637 -17.611 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.507 3.411 -17.245 1.00 0.00 H new ATOM 83 N PRO A 9 -9.330 7.823 -14.969 1.00 0.00 N ATOM 84 CA PRO A 9 -9.630 7.446 -13.584 1.00 0.00 C ATOM 85 C PRO A 9 -9.391 5.963 -13.323 1.00 0.00 C ATOM 86 O PRO A 9 -9.060 5.208 -14.235 1.00 0.00 O ATOM 87 CB PRO A 9 -11.116 7.783 -13.440 1.00 0.00 C ATOM 88 CG PRO A 9 -11.658 7.708 -14.825 1.00 0.00 C ATOM 89 CD PRO A 9 -10.545 8.159 -15.730 1.00 0.00 C ATOM 0 HA PRO A 9 -8.990 7.966 -12.871 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.620 7.077 -12.779 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.257 8.776 -13.013 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.971 6.692 -15.067 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.534 8.346 -14.936 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.574 7.643 -16.690 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.605 9.227 -15.940 1.00 0.00 H new ATOM 97 N ASN A 10 -9.563 5.552 -12.070 1.00 0.00 N ATOM 98 CA ASN A 10 -9.367 4.160 -11.688 1.00 0.00 C ATOM 99 C ASN A 10 -10.580 3.315 -12.066 1.00 0.00 C ATOM 100 O ASN A 10 -11.461 3.073 -11.242 1.00 0.00 O ATOM 101 CB ASN A 10 -9.105 4.052 -10.185 1.00 0.00 C ATOM 102 CG ASN A 10 -9.899 5.068 -9.386 1.00 0.00 C ATOM 103 OD1 ASN A 10 -10.986 5.481 -9.793 1.00 0.00 O ATOM 104 ND2 ASN A 10 -9.359 5.475 -8.243 1.00 0.00 N ATOM 0 H ASN A 10 -9.838 6.165 -11.302 1.00 0.00 H new ATOM 0 HA ASN A 10 -8.500 3.781 -12.229 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.359 3.048 -9.846 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.041 4.194 -9.993 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.847 6.157 -7.663 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.456 5.105 -7.945 1.00 0.00 H new ATOM 111 N ARG A 11 -10.618 2.870 -13.319 1.00 0.00 N ATOM 112 CA ARG A 11 -11.723 2.054 -13.806 1.00 0.00 C ATOM 113 C ARG A 11 -11.221 0.706 -14.312 1.00 0.00 C ATOM 114 O ARG A 11 -11.675 -0.347 -13.866 1.00 0.00 O ATOM 115 CB ARG A 11 -12.471 2.785 -14.923 1.00 0.00 C ATOM 116 CG ARG A 11 -13.268 3.985 -14.439 1.00 0.00 C ATOM 117 CD ARG A 11 -14.671 3.586 -14.008 1.00 0.00 C ATOM 118 NE ARG A 11 -15.518 4.749 -13.760 1.00 0.00 N ATOM 119 CZ ARG A 11 -16.780 4.665 -13.352 1.00 0.00 C ATOM 120 NH1 ARG A 11 -17.336 3.480 -13.146 1.00 0.00 N ATOM 121 NH2 ARG A 11 -17.487 5.769 -13.147 1.00 0.00 N ATOM 0 H ARG A 11 -9.896 3.061 -14.014 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.406 1.879 -12.975 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.753 3.115 -15.674 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.147 2.085 -15.415 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.749 4.454 -13.603 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.328 4.728 -15.234 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -15.125 2.965 -14.780 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.614 2.980 -13.104 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.120 5.676 -13.908 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -16.795 2.629 -13.301 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -18.305 3.419 -12.833 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.062 6.683 -13.303 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -18.456 5.704 -12.834 1.00 0.00 H new ATOM 135 N LYS A 12 -10.280 0.745 -15.251 1.00 0.00 N ATOM 136 CA LYS A 12 -9.714 -0.472 -15.819 1.00 0.00 C ATOM 137 C LYS A 12 -8.830 -1.187 -14.803 1.00 0.00 C ATOM 138 O LYS A 12 -9.093 -2.331 -14.433 1.00 0.00 O ATOM 139 CB LYS A 12 -8.903 -0.145 -17.075 1.00 0.00 C ATOM 140 CG LYS A 12 -9.758 0.071 -18.312 1.00 0.00 C ATOM 141 CD LYS A 12 -10.329 1.478 -18.358 1.00 0.00 C ATOM 142 CE LYS A 12 -10.711 1.879 -19.775 1.00 0.00 C ATOM 143 NZ LYS A 12 -12.116 1.505 -20.097 1.00 0.00 N ATOM 0 H LYS A 12 -9.894 1.608 -15.634 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.537 -1.134 -16.088 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.311 0.752 -16.892 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.201 -0.957 -17.266 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.159 -0.109 -19.205 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.572 -0.653 -18.323 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.206 1.537 -17.713 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.596 2.182 -17.965 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.585 2.955 -19.894 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.036 1.399 -20.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.338 1.795 -21.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.230 0.475 -20.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.762 1.983 -19.438 1.00 0.00 H new ATOM 157 N ALA A 13 -7.781 -0.506 -14.354 1.00 0.00 N ATOM 158 CA ALA A 13 -6.860 -1.075 -13.378 1.00 0.00 C ATOM 159 C ALA A 13 -5.909 -0.013 -12.835 1.00 0.00 C ATOM 160 O ALA A 13 -5.187 0.633 -13.595 1.00 0.00 O ATOM 161 CB ALA A 13 -6.075 -2.222 -13.998 1.00 0.00 C ATOM 0 H ALA A 13 -7.548 0.441 -14.651 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.447 -1.460 -12.544 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.391 -2.637 -13.258 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.765 -2.998 -14.330 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.506 -1.854 -14.851 1.00 0.00 H new ATOM 167 N SER A 14 -5.913 0.162 -11.519 1.00 0.00 N ATOM 168 CA SER A 14 -5.054 1.150 -10.876 1.00 0.00 C ATOM 169 C SER A 14 -4.649 0.689 -9.479 1.00 0.00 C ATOM 170 O SER A 14 -5.481 0.604 -8.576 1.00 0.00 O ATOM 171 CB SER A 14 -5.767 2.501 -10.793 1.00 0.00 C ATOM 172 OG SER A 14 -5.910 3.082 -12.078 1.00 0.00 O ATOM 0 H SER A 14 -6.502 -0.367 -10.876 1.00 0.00 H new ATOM 0 HA SER A 14 -4.153 1.260 -11.480 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.749 2.370 -10.338 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.204 3.174 -10.147 1.00 0.00 H new ATOM 0 HG SER A 14 -6.222 4.006 -11.986 1.00 0.00 H new ATOM 178 N ARG A 15 -3.364 0.395 -9.310 1.00 0.00 N ATOM 179 CA ARG A 15 -2.847 -0.058 -8.023 1.00 0.00 C ATOM 180 C ARG A 15 -1.701 0.832 -7.554 1.00 0.00 C ATOM 181 O ARG A 15 -0.795 1.152 -8.323 1.00 0.00 O ATOM 182 CB ARG A 15 -2.373 -1.509 -8.123 1.00 0.00 C ATOM 183 CG ARG A 15 -3.506 -2.512 -8.266 1.00 0.00 C ATOM 184 CD ARG A 15 -3.029 -3.801 -8.917 1.00 0.00 C ATOM 185 NE ARG A 15 -4.118 -4.755 -9.105 1.00 0.00 N ATOM 186 CZ ARG A 15 -4.019 -5.846 -9.856 1.00 0.00 C ATOM 187 NH1 ARG A 15 -2.884 -6.121 -10.485 1.00 0.00 N ATOM 188 NH2 ARG A 15 -5.055 -6.667 -9.978 1.00 0.00 N ATOM 0 H ARG A 15 -2.662 0.462 -10.047 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.654 0.004 -7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.704 -1.605 -8.978 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.792 -1.754 -7.234 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.925 -2.732 -7.284 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.307 -2.076 -8.863 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.576 -3.574 -9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.253 -4.254 -8.299 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.004 -4.574 -8.633 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.085 -5.494 -10.392 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.810 -6.959 -11.061 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.929 -6.460 -9.495 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.977 -7.504 -10.555 1.00 0.00 H new ATOM 202 N ASN A 16 -1.748 1.230 -6.287 1.00 0.00 N ATOM 203 CA ASN A 16 -0.714 2.085 -5.715 1.00 0.00 C ATOM 204 C ASN A 16 -0.447 1.718 -4.259 1.00 0.00 C ATOM 205 O ASN A 16 -1.140 0.879 -3.683 1.00 0.00 O ATOM 206 CB ASN A 16 -1.126 3.555 -5.814 1.00 0.00 C ATOM 207 CG ASN A 16 0.051 4.498 -5.656 1.00 0.00 C ATOM 208 OD1 ASN A 16 0.372 4.928 -4.547 1.00 0.00 O ATOM 209 ND2 ASN A 16 0.702 4.825 -6.767 1.00 0.00 N ATOM 0 H ASN A 16 -2.491 0.974 -5.637 1.00 0.00 H new ATOM 0 HA ASN A 16 0.203 1.932 -6.284 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.602 3.732 -6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.869 3.774 -5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.502 5.456 -6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.402 4.445 -7.665 1.00 0.00 H new ATOM 216 N ALA A 17 0.562 2.351 -3.669 1.00 0.00 N ATOM 217 CA ALA A 17 0.919 2.093 -2.279 1.00 0.00 C ATOM 218 C ALA A 17 -0.323 1.832 -1.434 1.00 0.00 C ATOM 219 O ALA A 17 -0.374 0.869 -0.668 1.00 0.00 O ATOM 220 CB ALA A 17 1.710 3.261 -1.712 1.00 0.00 C ATOM 0 H ALA A 17 1.147 3.046 -4.132 1.00 0.00 H new ATOM 0 HA ALA A 17 1.542 1.199 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.970 3.055 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.622 3.400 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.107 4.167 -1.762 1.00 0.00 H new ATOM 226 N TYR A 18 -1.323 2.695 -1.575 1.00 0.00 N ATOM 227 CA TYR A 18 -2.563 2.560 -0.822 1.00 0.00 C ATOM 228 C TYR A 18 -3.223 1.212 -1.097 1.00 0.00 C ATOM 229 O TYR A 18 -3.542 0.464 -0.172 1.00 0.00 O ATOM 230 CB TYR A 18 -3.527 3.693 -1.177 1.00 0.00 C ATOM 231 CG TYR A 18 -4.746 3.753 -0.286 1.00 0.00 C ATOM 232 CD1 TYR A 18 -4.627 4.015 1.073 1.00 0.00 C ATOM 233 CD2 TYR A 18 -6.019 3.547 -0.803 1.00 0.00 C ATOM 234 CE1 TYR A 18 -5.738 4.069 1.891 1.00 0.00 C ATOM 235 CE2 TYR A 18 -7.138 3.601 0.007 1.00 0.00 C ATOM 236 CZ TYR A 18 -6.992 3.861 1.353 1.00 0.00 C ATOM 237 OH TYR A 18 -8.102 3.916 2.163 1.00 0.00 O ATOM 0 H TYR A 18 -1.298 3.497 -2.205 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.321 2.617 0.239 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.996 4.643 -1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.849 3.574 -2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.648 4.179 1.497 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.136 3.341 -1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.626 4.273 2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -8.120 3.441 -0.412 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.669 3.135 1.994 1.00 0.00 H new ATOM 247 N TYR A 19 -3.423 0.909 -2.375 1.00 0.00 N ATOM 248 CA TYR A 19 -4.047 -0.348 -2.773 1.00 0.00 C ATOM 249 C TYR A 19 -3.406 -1.528 -2.048 1.00 0.00 C ATOM 250 O TYR A 19 -4.098 -2.365 -1.469 1.00 0.00 O ATOM 251 CB TYR A 19 -3.933 -0.540 -4.286 1.00 0.00 C ATOM 252 CG TYR A 19 -4.542 -1.834 -4.779 1.00 0.00 C ATOM 253 CD1 TYR A 19 -3.854 -3.035 -4.668 1.00 0.00 C ATOM 254 CD2 TYR A 19 -5.806 -1.854 -5.357 1.00 0.00 C ATOM 255 CE1 TYR A 19 -4.407 -4.219 -5.118 1.00 0.00 C ATOM 256 CE2 TYR A 19 -6.367 -3.033 -5.808 1.00 0.00 C ATOM 257 CZ TYR A 19 -5.663 -4.213 -5.687 1.00 0.00 C ATOM 258 OH TYR A 19 -6.217 -5.389 -6.136 1.00 0.00 O ATOM 0 H TYR A 19 -3.162 1.516 -3.152 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.101 -0.306 -2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.421 0.296 -4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.881 -0.512 -4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.870 -3.044 -4.223 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.359 -0.932 -5.455 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.858 -5.144 -5.024 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.351 -3.031 -6.253 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.106 -5.211 -6.508 1.00 0.00 H new ATOM 268 N PHE A 20 -2.079 -1.586 -2.086 1.00 0.00 N ATOM 269 CA PHE A 20 -1.342 -2.664 -1.435 1.00 0.00 C ATOM 270 C PHE A 20 -1.657 -2.712 0.058 1.00 0.00 C ATOM 271 O PHE A 20 -1.843 -3.786 0.629 1.00 0.00 O ATOM 272 CB PHE A 20 0.163 -2.480 -1.644 1.00 0.00 C ATOM 273 CG PHE A 20 0.680 -3.147 -2.886 1.00 0.00 C ATOM 274 CD1 PHE A 20 0.360 -2.651 -4.140 1.00 0.00 C ATOM 275 CD2 PHE A 20 1.487 -4.270 -2.800 1.00 0.00 C ATOM 276 CE1 PHE A 20 0.835 -3.263 -5.284 1.00 0.00 C ATOM 277 CE2 PHE A 20 1.966 -4.886 -3.941 1.00 0.00 C ATOM 278 CZ PHE A 20 1.639 -4.381 -5.185 1.00 0.00 C ATOM 0 H PHE A 20 -1.492 -0.900 -2.560 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.652 -3.607 -1.885 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.388 -1.415 -1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.694 -2.878 -0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.268 -1.776 -4.224 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.745 -4.669 -1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.577 -2.867 -6.255 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.595 -5.760 -3.860 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.012 -4.860 -6.078 1.00 0.00 H new ATOM 288 N PHE A 21 -1.714 -1.540 0.683 1.00 0.00 N ATOM 289 CA PHE A 21 -2.005 -1.449 2.108 1.00 0.00 C ATOM 290 C PHE A 21 -3.376 -2.041 2.424 1.00 0.00 C ATOM 291 O PHE A 21 -3.506 -2.910 3.285 1.00 0.00 O ATOM 292 CB PHE A 21 -1.949 0.010 2.569 1.00 0.00 C ATOM 293 CG PHE A 21 -2.357 0.202 4.002 1.00 0.00 C ATOM 294 CD1 PHE A 21 -1.545 -0.239 5.033 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.555 0.824 4.317 1.00 0.00 C ATOM 296 CE1 PHE A 21 -1.917 -0.064 6.352 1.00 0.00 C ATOM 297 CE2 PHE A 21 -3.933 1.003 5.634 1.00 0.00 C ATOM 298 CZ PHE A 21 -3.114 0.558 6.653 1.00 0.00 C ATOM 0 H PHE A 21 -1.563 -0.641 0.225 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.249 -2.023 2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.935 0.386 2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.599 0.609 1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.609 -0.726 4.803 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.200 1.173 3.524 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.274 -0.413 7.146 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.868 1.491 5.866 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.408 0.696 7.683 1.00 0.00 H new ATOM 308 N VAL A 22 -4.396 -1.562 1.720 1.00 0.00 N ATOM 309 CA VAL A 22 -5.758 -2.043 1.923 1.00 0.00 C ATOM 310 C VAL A 22 -5.864 -3.534 1.624 1.00 0.00 C ATOM 311 O VAL A 22 -6.617 -4.256 2.278 1.00 0.00 O ATOM 312 CB VAL A 22 -6.761 -1.281 1.037 1.00 0.00 C ATOM 313 CG1 VAL A 22 -8.167 -1.826 1.231 1.00 0.00 C ATOM 314 CG2 VAL A 22 -6.711 0.209 1.337 1.00 0.00 C ATOM 0 H VAL A 22 -4.306 -0.841 1.004 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.003 -1.866 2.970 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.482 -1.428 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.862 -1.275 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.188 -2.882 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.460 -1.712 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.426 0.732 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.964 0.378 2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.707 0.586 1.141 1.00 0.00 H new ATOM 324 N GLN A 23 -5.104 -3.989 0.632 1.00 0.00 N ATOM 325 CA GLN A 23 -5.113 -5.395 0.248 1.00 0.00 C ATOM 326 C GLN A 23 -4.683 -6.282 1.413 1.00 0.00 C ATOM 327 O GLN A 23 -5.237 -7.361 1.619 1.00 0.00 O ATOM 328 CB GLN A 23 -4.189 -5.624 -0.950 1.00 0.00 C ATOM 329 CG GLN A 23 -4.521 -6.879 -1.742 1.00 0.00 C ATOM 330 CD GLN A 23 -3.426 -7.256 -2.721 1.00 0.00 C ATOM 331 OE1 GLN A 23 -3.573 -7.081 -3.932 1.00 0.00 O ATOM 332 NE2 GLN A 23 -2.320 -7.775 -2.202 1.00 0.00 N ATOM 0 H GLN A 23 -4.475 -3.405 0.081 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.132 -5.662 -0.031 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.246 -4.760 -1.613 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -3.160 -5.688 -0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.687 -7.706 -1.052 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.453 -6.725 -2.286 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.241 -7.902 -1.193 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.549 -8.047 -2.812 1.00 0.00 H new ATOM 341 N GLU A 24 -3.694 -5.818 2.169 1.00 0.00 N ATOM 342 CA GLU A 24 -3.190 -6.570 3.312 1.00 0.00 C ATOM 343 C GLU A 24 -4.064 -6.341 4.541 1.00 0.00 C ATOM 344 O GLU A 24 -3.753 -6.812 5.636 1.00 0.00 O ATOM 345 CB GLU A 24 -1.745 -6.169 3.618 1.00 0.00 C ATOM 346 CG GLU A 24 -0.724 -6.833 2.709 1.00 0.00 C ATOM 347 CD GLU A 24 -0.796 -8.347 2.760 1.00 0.00 C ATOM 348 OE1 GLU A 24 -0.921 -8.898 3.873 1.00 0.00 O ATOM 349 OE2 GLU A 24 -0.729 -8.981 1.686 1.00 0.00 O ATOM 0 H GLU A 24 -3.226 -4.926 2.011 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.219 -7.630 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.650 -5.087 3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.517 -6.424 4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.884 -6.500 1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.277 -6.511 2.996 1.00 0.00 H new ATOM 356 N LYS A 25 -5.160 -5.614 4.355 1.00 0.00 N ATOM 357 CA LYS A 25 -6.080 -5.321 5.447 1.00 0.00 C ATOM 358 C LYS A 25 -7.458 -5.914 5.171 1.00 0.00 C ATOM 359 O LYS A 25 -8.265 -6.088 6.085 1.00 0.00 O ATOM 360 CB LYS A 25 -6.197 -3.809 5.652 1.00 0.00 C ATOM 361 CG LYS A 25 -4.918 -3.164 6.158 1.00 0.00 C ATOM 362 CD LYS A 25 -4.822 -3.227 7.673 1.00 0.00 C ATOM 363 CE LYS A 25 -5.456 -2.005 8.322 1.00 0.00 C ATOM 364 NZ LYS A 25 -6.909 -2.204 8.576 1.00 0.00 N ATOM 0 H LYS A 25 -5.433 -5.216 3.456 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.682 -5.775 6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.480 -3.343 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.001 -3.608 6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.057 -3.667 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.881 -2.124 5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.316 -4.129 8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.776 -3.297 7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.949 -1.789 9.262 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.315 -1.137 7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.220 -1.564 9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.444 -1.998 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.080 -3.189 8.863 1.00 0.00 H new ATOM 378 N ILE A 26 -7.721 -6.225 3.905 1.00 0.00 N ATOM 379 CA ILE A 26 -9.000 -6.800 3.509 1.00 0.00 C ATOM 380 C ILE A 26 -9.403 -7.937 4.443 1.00 0.00 C ATOM 381 O ILE A 26 -10.464 -7.913 5.068 1.00 0.00 O ATOM 382 CB ILE A 26 -8.957 -7.330 2.064 1.00 0.00 C ATOM 383 CG1 ILE A 26 -9.372 -6.232 1.083 1.00 0.00 C ATOM 384 CG2 ILE A 26 -9.858 -8.547 1.918 1.00 0.00 C ATOM 385 CD1 ILE A 26 -8.802 -6.415 -0.306 1.00 0.00 C ATOM 0 H ILE A 26 -7.064 -6.088 3.137 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.738 -6.000 3.572 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.935 -7.630 1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.460 -6.205 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.051 -5.266 1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.816 -8.909 0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.521 -9.333 2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.884 -8.272 2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.138 -5.600 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.713 -6.412 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.144 -7.365 -0.717 1.00 0.00 H new ATOM 397 N PRO A 27 -8.537 -8.957 4.543 1.00 0.00 N ATOM 398 CA PRO A 27 -8.780 -10.120 5.401 1.00 0.00 C ATOM 399 C PRO A 27 -8.696 -9.776 6.884 1.00 0.00 C ATOM 400 O PRO A 27 -9.274 -10.465 7.723 1.00 0.00 O ATOM 401 CB PRO A 27 -7.659 -11.087 5.012 1.00 0.00 C ATOM 402 CG PRO A 27 -6.571 -10.214 4.490 1.00 0.00 C ATOM 403 CD PRO A 27 -7.254 -9.051 3.827 1.00 0.00 C ATOM 0 HA PRO A 27 -9.781 -10.527 5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.323 -11.669 5.870 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.994 -11.798 4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.921 -9.876 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.944 -10.754 3.781 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.672 -8.135 3.923 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.400 -9.225 2.761 1.00 0.00 H new ATOM 411 N GLU A 28 -7.973 -8.705 7.197 1.00 0.00 N ATOM 412 CA GLU A 28 -7.815 -8.270 8.581 1.00 0.00 C ATOM 413 C GLU A 28 -9.114 -7.676 9.116 1.00 0.00 C ATOM 414 O GLU A 28 -9.488 -7.909 10.267 1.00 0.00 O ATOM 415 CB GLU A 28 -6.687 -7.241 8.688 1.00 0.00 C ATOM 416 CG GLU A 28 -6.519 -6.667 10.085 1.00 0.00 C ATOM 417 CD GLU A 28 -5.112 -6.162 10.343 1.00 0.00 C ATOM 418 OE1 GLU A 28 -4.161 -6.959 10.208 1.00 0.00 O ATOM 419 OE2 GLU A 28 -4.964 -4.968 10.678 1.00 0.00 O ATOM 0 H GLU A 28 -7.488 -8.124 6.513 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.560 -9.142 9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.751 -7.707 8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.882 -6.426 7.990 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.226 -5.849 10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.767 -7.432 10.820 1.00 0.00 H new ATOM 426 N LEU A 29 -9.797 -6.907 8.276 1.00 0.00 N ATOM 427 CA LEU A 29 -11.054 -6.279 8.663 1.00 0.00 C ATOM 428 C LEU A 29 -12.191 -7.296 8.677 1.00 0.00 C ATOM 429 O LEU A 29 -13.093 -7.223 9.512 1.00 0.00 O ATOM 430 CB LEU A 29 -11.392 -5.133 7.706 1.00 0.00 C ATOM 431 CG LEU A 29 -10.335 -4.036 7.575 1.00 0.00 C ATOM 432 CD1 LEU A 29 -10.657 -3.124 6.401 1.00 0.00 C ATOM 433 CD2 LEU A 29 -10.233 -3.235 8.864 1.00 0.00 C ATOM 0 H LEU A 29 -9.501 -6.703 7.321 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.936 -5.880 9.670 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.575 -5.554 6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -12.324 -4.674 8.035 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.370 -4.508 7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.895 -2.349 6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.677 -3.708 5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.631 -2.660 6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.476 -2.459 8.751 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.196 -2.773 9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.954 -3.898 9.683 1.00 0.00 H new ATOM 445 N ARG A 30 -12.139 -8.245 7.748 1.00 0.00 N ATOM 446 CA ARG A 30 -13.164 -9.278 7.655 1.00 0.00 C ATOM 447 C ARG A 30 -13.282 -10.048 8.967 1.00 0.00 C ATOM 448 O ARG A 30 -14.378 -10.431 9.377 1.00 0.00 O ATOM 449 CB ARG A 30 -12.841 -10.244 6.512 1.00 0.00 C ATOM 450 CG ARG A 30 -13.044 -9.641 5.131 1.00 0.00 C ATOM 451 CD ARG A 30 -12.495 -10.550 4.042 1.00 0.00 C ATOM 452 NE ARG A 30 -13.441 -11.598 3.675 1.00 0.00 N ATOM 453 CZ ARG A 30 -13.098 -12.702 3.017 1.00 0.00 C ATOM 454 NH1 ARG A 30 -11.837 -12.897 2.657 1.00 0.00 N ATOM 455 NH2 ARG A 30 -14.017 -13.611 2.720 1.00 0.00 N ATOM 0 H ARG A 30 -11.399 -8.320 7.050 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.118 -8.791 7.453 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.806 -10.574 6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.468 -11.130 6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.107 -9.468 4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.550 -8.671 5.080 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.254 -9.955 3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.565 -11.005 4.384 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.419 -11.478 3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.128 -12.200 2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.576 -13.744 2.153 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.988 -13.464 2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.753 -14.457 2.215 1.00 0.00 H new ATOM 469 N ARG A 31 -12.147 -10.271 9.620 1.00 0.00 N ATOM 470 CA ARG A 31 -12.122 -10.996 10.884 1.00 0.00 C ATOM 471 C ARG A 31 -12.522 -10.085 12.041 1.00 0.00 C ATOM 472 O ARG A 31 -13.082 -10.540 13.039 1.00 0.00 O ATOM 473 CB ARG A 31 -10.730 -11.578 11.137 1.00 0.00 C ATOM 474 CG ARG A 31 -9.613 -10.554 11.025 1.00 0.00 C ATOM 475 CD ARG A 31 -8.296 -11.108 11.545 1.00 0.00 C ATOM 476 NE ARG A 31 -7.388 -10.048 11.976 1.00 0.00 N ATOM 477 CZ ARG A 31 -7.517 -9.392 13.123 1.00 0.00 C ATOM 478 NH1 ARG A 31 -8.510 -9.686 13.952 1.00 0.00 N ATOM 479 NH2 ARG A 31 -6.650 -8.440 13.446 1.00 0.00 N ATOM 0 H ARG A 31 -11.232 -9.960 9.294 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.842 -11.812 10.820 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.706 -12.022 12.132 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.547 -12.383 10.425 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.497 -10.253 9.984 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.880 -9.659 11.587 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.490 -11.781 12.380 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.818 -11.699 10.764 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.613 -9.798 11.362 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.177 -10.418 13.709 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.606 -9.180 14.832 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.884 -8.212 12.813 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.750 -7.937 14.328 1.00 0.00 H new ATOM 493 N ARG A 32 -12.230 -8.796 11.901 1.00 0.00 N ATOM 494 CA ARG A 32 -12.556 -7.820 12.935 1.00 0.00 C ATOM 495 C ARG A 32 -14.063 -7.761 13.168 1.00 0.00 C ATOM 496 O ARG A 32 -14.524 -7.712 14.308 1.00 0.00 O ATOM 497 CB ARG A 32 -12.035 -6.437 12.543 1.00 0.00 C ATOM 498 CG ARG A 32 -10.555 -6.240 12.831 1.00 0.00 C ATOM 499 CD ARG A 32 -10.223 -4.776 13.070 1.00 0.00 C ATOM 500 NE ARG A 32 -8.854 -4.595 13.545 1.00 0.00 N ATOM 501 CZ ARG A 32 -8.492 -4.745 14.814 1.00 0.00 C ATOM 502 NH1 ARG A 32 -9.391 -5.077 15.730 1.00 0.00 N ATOM 503 NH2 ARG A 32 -7.226 -4.563 15.170 1.00 0.00 N ATOM 0 H ARG A 32 -11.768 -8.403 11.081 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.074 -8.132 13.861 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.214 -6.279 11.480 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.605 -5.678 13.079 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.273 -6.826 13.706 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.967 -6.615 11.993 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.362 -4.217 12.145 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.918 -4.361 13.800 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.137 -4.340 12.866 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.365 -5.218 15.461 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.109 -5.191 16.704 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.531 -4.308 14.469 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.949 -4.678 16.145 1.00 0.00 H new ATOM 517 N GLY A 33 -14.826 -7.763 12.080 1.00 0.00 N ATOM 518 CA GLY A 33 -16.272 -7.708 12.188 1.00 0.00 C ATOM 519 C GLY A 33 -16.875 -6.602 11.345 1.00 0.00 C ATOM 520 O GLY A 33 -17.775 -5.890 11.793 1.00 0.00 O ATOM 0 H GLY A 33 -14.469 -7.802 11.125 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.693 -8.665 11.881 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.550 -7.558 13.231 1.00 0.00 H new ATOM 524 N LEU A 34 -16.378 -6.453 10.123 1.00 0.00 N ATOM 525 CA LEU A 34 -16.872 -5.423 9.215 1.00 0.00 C ATOM 526 C LEU A 34 -17.163 -6.006 7.836 1.00 0.00 C ATOM 527 O LEU A 34 -16.460 -6.892 7.348 1.00 0.00 O ATOM 528 CB LEU A 34 -15.852 -4.289 9.097 1.00 0.00 C ATOM 529 CG LEU A 34 -15.551 -3.520 10.383 1.00 0.00 C ATOM 530 CD1 LEU A 34 -14.270 -2.712 10.236 1.00 0.00 C ATOM 531 CD2 LEU A 34 -16.716 -2.613 10.748 1.00 0.00 C ATOM 0 H LEU A 34 -15.633 -7.033 9.737 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.801 -5.027 9.625 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -14.918 -4.705 8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.211 -3.581 8.350 1.00 0.00 H new ATOM 0 HG LEU A 34 -15.411 -4.241 11.189 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -14.073 -2.171 11.162 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.438 -3.384 10.024 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.380 -2.001 9.417 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -16.483 -2.074 11.666 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -16.888 -1.900 9.942 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.612 -3.215 10.898 1.00 0.00 H new ATOM 543 N PRO A 35 -18.222 -5.498 7.190 1.00 0.00 N ATOM 544 CA PRO A 35 -18.629 -5.952 5.857 1.00 0.00 C ATOM 545 C PRO A 35 -17.643 -5.528 4.774 1.00 0.00 C ATOM 546 O PRO A 35 -17.814 -4.488 4.138 1.00 0.00 O ATOM 547 CB PRO A 35 -19.982 -5.266 5.646 1.00 0.00 C ATOM 548 CG PRO A 35 -19.933 -4.058 6.517 1.00 0.00 C ATOM 549 CD PRO A 35 -19.105 -4.441 7.711 1.00 0.00 C ATOM 0 HA PRO A 35 -18.672 -7.039 5.793 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -20.130 -4.995 4.601 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -20.807 -5.922 5.925 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -19.489 -3.214 5.989 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -20.935 -3.754 6.819 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -18.535 -3.594 8.093 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -19.725 -4.804 8.530 1.00 0.00 H new ATOM 557 N VAL A 36 -16.611 -6.340 4.570 1.00 0.00 N ATOM 558 CA VAL A 36 -15.598 -6.050 3.562 1.00 0.00 C ATOM 559 C VAL A 36 -15.439 -7.214 2.591 1.00 0.00 C ATOM 560 O VAL A 36 -15.148 -8.339 2.997 1.00 0.00 O ATOM 561 CB VAL A 36 -14.233 -5.746 4.210 1.00 0.00 C ATOM 562 CG1 VAL A 36 -14.124 -4.269 4.555 1.00 0.00 C ATOM 563 CG2 VAL A 36 -14.027 -6.608 5.445 1.00 0.00 C ATOM 0 H VAL A 36 -16.454 -7.204 5.089 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.938 -5.170 3.016 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.447 -5.986 3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.154 -4.073 5.012 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.225 -3.675 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.915 -3.999 5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -13.058 -6.381 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.816 -6.402 6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.059 -7.661 5.163 1.00 0.00 H new ATOM 573 N ALA A 37 -15.631 -6.936 1.305 1.00 0.00 N ATOM 574 CA ALA A 37 -15.506 -7.960 0.275 1.00 0.00 C ATOM 575 C ALA A 37 -14.224 -7.776 -0.528 1.00 0.00 C ATOM 576 O ALA A 37 -13.662 -8.742 -1.046 1.00 0.00 O ATOM 577 CB ALA A 37 -16.717 -7.931 -0.645 1.00 0.00 C ATOM 0 H ALA A 37 -15.874 -6.010 0.952 1.00 0.00 H new ATOM 0 HA ALA A 37 -15.459 -8.932 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.611 -8.700 -1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.620 -8.118 -0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.789 -6.953 -1.121 1.00 0.00 H new ATOM 583 N ARG A 38 -13.766 -6.533 -0.629 1.00 0.00 N ATOM 584 CA ARG A 38 -12.551 -6.224 -1.371 1.00 0.00 C ATOM 585 C ARG A 38 -12.049 -4.823 -1.034 1.00 0.00 C ATOM 586 O ARG A 38 -12.708 -4.072 -0.315 1.00 0.00 O ATOM 587 CB ARG A 38 -12.804 -6.337 -2.876 1.00 0.00 C ATOM 588 CG ARG A 38 -13.780 -5.302 -3.409 1.00 0.00 C ATOM 589 CD ARG A 38 -14.105 -5.545 -4.875 1.00 0.00 C ATOM 590 NE ARG A 38 -13.178 -4.850 -5.764 1.00 0.00 N ATOM 591 CZ ARG A 38 -13.120 -5.059 -7.074 1.00 0.00 C ATOM 592 NH1 ARG A 38 -13.931 -5.939 -7.645 1.00 0.00 N ATOM 593 NH2 ARG A 38 -12.249 -4.388 -7.817 1.00 0.00 N ATOM 0 H ARG A 38 -14.219 -5.723 -0.206 1.00 0.00 H new ATOM 0 HA ARG A 38 -11.786 -6.945 -1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.856 -6.235 -3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.187 -7.333 -3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.698 -5.330 -2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -13.356 -4.305 -3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.072 -6.615 -5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -15.122 -5.212 -5.081 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.540 -4.167 -5.356 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.602 -6.457 -7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.884 -6.097 -8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.623 -3.711 -7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.206 -4.550 -8.823 1.00 0.00 H new ATOM 607 N VAL A 39 -10.877 -4.477 -1.557 1.00 0.00 N ATOM 608 CA VAL A 39 -10.287 -3.167 -1.312 1.00 0.00 C ATOM 609 C VAL A 39 -11.351 -2.077 -1.304 1.00 0.00 C ATOM 610 O VAL A 39 -11.568 -1.413 -0.291 1.00 0.00 O ATOM 611 CB VAL A 39 -9.223 -2.824 -2.373 1.00 0.00 C ATOM 612 CG1 VAL A 39 -8.906 -1.336 -2.348 1.00 0.00 C ATOM 613 CG2 VAL A 39 -7.965 -3.648 -2.152 1.00 0.00 C ATOM 0 H VAL A 39 -10.317 -5.086 -2.153 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.812 -3.212 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.623 -3.071 -3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.153 -1.112 -3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.812 -0.767 -2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.526 -1.061 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.225 -3.393 -2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.560 -3.435 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.207 -4.708 -2.224 1.00 0.00 H new ATOM 623 N ALA A 40 -12.016 -1.897 -2.442 1.00 0.00 N ATOM 624 CA ALA A 40 -13.060 -0.890 -2.566 1.00 0.00 C ATOM 625 C ALA A 40 -13.871 -0.778 -1.279 1.00 0.00 C ATOM 626 O ALA A 40 -14.233 0.320 -0.854 1.00 0.00 O ATOM 627 CB ALA A 40 -13.973 -1.217 -3.739 1.00 0.00 C ATOM 0 H ALA A 40 -11.849 -2.437 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.581 0.072 -2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.749 -0.456 -3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.389 -1.239 -4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.436 -2.191 -3.579 1.00 0.00 H new ATOM 633 N ASP A 41 -14.153 -1.920 -0.662 1.00 0.00 N ATOM 634 CA ASP A 41 -14.921 -1.951 0.578 1.00 0.00 C ATOM 635 C ASP A 41 -14.047 -1.568 1.768 1.00 0.00 C ATOM 636 O ASP A 41 -14.471 -0.821 2.648 1.00 0.00 O ATOM 637 CB ASP A 41 -15.523 -3.339 0.796 1.00 0.00 C ATOM 638 CG ASP A 41 -16.376 -3.791 -0.374 1.00 0.00 C ATOM 639 OD1 ASP A 41 -15.824 -3.956 -1.481 1.00 0.00 O ATOM 640 OD2 ASP A 41 -17.596 -3.979 -0.181 1.00 0.00 O ATOM 0 H ASP A 41 -13.861 -2.837 -1.000 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.728 -1.224 0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.720 -4.059 0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -16.129 -3.331 1.702 1.00 0.00 H new ATOM 645 N ALA A 42 -12.824 -2.089 1.788 1.00 0.00 N ATOM 646 CA ALA A 42 -11.889 -1.802 2.869 1.00 0.00 C ATOM 647 C ALA A 42 -11.188 -0.466 2.648 1.00 0.00 C ATOM 648 O ALA A 42 -10.335 -0.064 3.440 1.00 0.00 O ATOM 649 CB ALA A 42 -10.868 -2.923 2.995 1.00 0.00 C ATOM 0 H ALA A 42 -12.458 -2.712 1.068 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.455 -1.736 3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.176 -2.696 3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.381 -3.861 3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.314 -3.017 2.061 1.00 0.00 H new ATOM 655 N ILE A 43 -11.550 0.216 1.568 1.00 0.00 N ATOM 656 CA ILE A 43 -10.956 1.506 1.244 1.00 0.00 C ATOM 657 C ILE A 43 -11.197 2.518 2.359 1.00 0.00 C ATOM 658 O ILE A 43 -10.264 3.070 2.944 1.00 0.00 O ATOM 659 CB ILE A 43 -11.516 2.070 -0.075 1.00 0.00 C ATOM 660 CG1 ILE A 43 -10.651 1.620 -1.255 1.00 0.00 C ATOM 661 CG2 ILE A 43 -11.589 3.588 -0.014 1.00 0.00 C ATOM 662 CD1 ILE A 43 -11.063 2.234 -2.575 1.00 0.00 C ATOM 0 H ILE A 43 -12.253 -0.104 0.902 1.00 0.00 H new ATOM 0 HA ILE A 43 -9.885 1.340 1.132 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.525 1.683 -0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.612 1.878 -1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.700 0.534 -1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.987 3.971 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.242 3.888 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.591 3.994 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -10.407 1.871 -3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.092 1.955 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.987 3.319 -2.511 1.00 0.00 H new ATOM 674 N PRO A 44 -12.479 2.768 2.664 1.00 0.00 N ATOM 675 CA PRO A 44 -12.874 3.714 3.712 1.00 0.00 C ATOM 676 C PRO A 44 -12.540 3.202 5.109 1.00 0.00 C ATOM 677 O PRO A 44 -12.142 3.972 5.984 1.00 0.00 O ATOM 678 CB PRO A 44 -14.390 3.828 3.534 1.00 0.00 C ATOM 679 CG PRO A 44 -14.794 2.548 2.888 1.00 0.00 C ATOM 680 CD PRO A 44 -13.642 2.148 2.008 1.00 0.00 C ATOM 0 HA PRO A 44 -12.348 4.664 3.623 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.892 3.963 4.492 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.652 4.685 2.913 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.999 1.781 3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.705 2.676 2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.539 1.064 1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.770 2.512 0.989 1.00 0.00 H new ATOM 688 N TYR A 45 -12.703 1.899 5.312 1.00 0.00 N ATOM 689 CA TYR A 45 -12.419 1.286 6.604 1.00 0.00 C ATOM 690 C TYR A 45 -10.920 1.273 6.884 1.00 0.00 C ATOM 691 O TYR A 45 -10.477 0.808 7.936 1.00 0.00 O ATOM 692 CB TYR A 45 -12.969 -0.141 6.646 1.00 0.00 C ATOM 693 CG TYR A 45 -14.448 -0.230 6.345 1.00 0.00 C ATOM 694 CD1 TYR A 45 -15.367 0.541 7.047 1.00 0.00 C ATOM 695 CD2 TYR A 45 -14.928 -1.083 5.359 1.00 0.00 C ATOM 696 CE1 TYR A 45 -16.719 0.464 6.777 1.00 0.00 C ATOM 697 CE2 TYR A 45 -16.278 -1.166 5.081 1.00 0.00 C ATOM 698 CZ TYR A 45 -17.170 -0.392 5.793 1.00 0.00 C ATOM 699 OH TYR A 45 -18.516 -0.471 5.520 1.00 0.00 O ATOM 0 H TYR A 45 -13.030 1.247 4.599 1.00 0.00 H new ATOM 0 HA TYR A 45 -12.909 1.881 7.375 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.423 -0.753 5.928 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.782 -0.565 7.633 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.017 1.212 7.817 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -14.233 -1.692 4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -17.419 1.070 7.333 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -16.633 -1.834 4.310 1.00 0.00 H new ATOM 0 HH TYR A 45 -18.666 -1.119 4.800 1.00 0.00 H new ATOM 709 N CYS A 46 -10.143 1.787 5.937 1.00 0.00 N ATOM 710 CA CYS A 46 -8.693 1.835 6.081 1.00 0.00 C ATOM 711 C CYS A 46 -8.192 3.276 6.058 1.00 0.00 C ATOM 712 O CYS A 46 -7.219 3.616 6.731 1.00 0.00 O ATOM 713 CB CYS A 46 -8.022 1.033 4.965 1.00 0.00 C ATOM 714 SG CYS A 46 -8.018 -0.754 5.240 1.00 0.00 S ATOM 0 H CYS A 46 -10.493 2.176 5.062 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.434 1.393 7.043 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -8.531 1.244 4.024 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.993 1.375 4.855 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.111 -1.269 4.761 1.00 0.00 H new ATOM 720 N SER A 47 -8.864 4.118 5.280 1.00 0.00 N ATOM 721 CA SER A 47 -8.484 5.522 5.166 1.00 0.00 C ATOM 722 C SER A 47 -8.015 6.069 6.510 1.00 0.00 C ATOM 723 O SER A 47 -7.180 6.971 6.569 1.00 0.00 O ATOM 724 CB SER A 47 -9.661 6.350 4.648 1.00 0.00 C ATOM 725 OG SER A 47 -10.642 6.527 5.654 1.00 0.00 O ATOM 0 H SER A 47 -9.674 3.853 4.719 1.00 0.00 H new ATOM 0 HA SER A 47 -7.659 5.593 4.457 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.304 7.322 4.309 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.106 5.855 3.785 1.00 0.00 H new ATOM 0 HG SER A 47 -11.144 5.694 5.772 1.00 0.00 H new ATOM 731 N SER A 48 -8.560 5.516 7.589 1.00 0.00 N ATOM 732 CA SER A 48 -8.200 5.950 8.934 1.00 0.00 C ATOM 733 C SER A 48 -6.808 5.454 9.313 1.00 0.00 C ATOM 734 O SER A 48 -5.943 6.237 9.701 1.00 0.00 O ATOM 735 CB SER A 48 -9.228 5.442 9.948 1.00 0.00 C ATOM 736 OG SER A 48 -9.380 4.036 9.860 1.00 0.00 O ATOM 0 H SER A 48 -9.252 4.767 7.558 1.00 0.00 H new ATOM 0 HA SER A 48 -8.193 7.040 8.947 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.915 5.715 10.956 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.188 5.926 9.771 1.00 0.00 H new ATOM 0 HG SER A 48 -10.041 3.737 10.519 1.00 0.00 H new ATOM 742 N ASP A 49 -6.601 4.146 9.195 1.00 0.00 N ATOM 743 CA ASP A 49 -5.315 3.544 9.523 1.00 0.00 C ATOM 744 C ASP A 49 -4.213 4.087 8.618 1.00 0.00 C ATOM 745 O ASP A 49 -3.111 4.388 9.077 1.00 0.00 O ATOM 746 CB ASP A 49 -5.392 2.021 9.394 1.00 0.00 C ATOM 747 CG ASP A 49 -6.507 1.425 10.230 1.00 0.00 C ATOM 748 OD1 ASP A 49 -7.687 1.663 9.901 1.00 0.00 O ATOM 749 OD2 ASP A 49 -6.198 0.723 11.216 1.00 0.00 O ATOM 0 H ASP A 49 -7.308 3.484 8.875 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.074 3.802 10.554 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.544 1.755 8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.441 1.585 9.699 1.00 0.00 H new ATOM 754 N TRP A 50 -4.519 4.213 7.332 1.00 0.00 N ATOM 755 CA TRP A 50 -3.554 4.719 6.362 1.00 0.00 C ATOM 756 C TRP A 50 -3.066 6.109 6.756 1.00 0.00 C ATOM 757 O TRP A 50 -1.911 6.461 6.521 1.00 0.00 O ATOM 758 CB TRP A 50 -4.177 4.760 4.966 1.00 0.00 C ATOM 759 CG TRP A 50 -3.264 5.335 3.925 1.00 0.00 C ATOM 760 CD1 TRP A 50 -3.335 6.580 3.369 1.00 0.00 C ATOM 761 CD2 TRP A 50 -2.145 4.684 3.316 1.00 0.00 C ATOM 762 NE1 TRP A 50 -2.327 6.742 2.450 1.00 0.00 N ATOM 763 CE2 TRP A 50 -1.582 5.595 2.399 1.00 0.00 C ATOM 764 CE3 TRP A 50 -1.560 3.422 3.456 1.00 0.00 C ATOM 765 CZ2 TRP A 50 -0.466 5.280 1.627 1.00 0.00 C ATOM 766 CZ3 TRP A 50 -0.453 3.112 2.689 1.00 0.00 C ATOM 767 CH2 TRP A 50 0.085 4.038 1.785 1.00 0.00 C ATOM 0 H TRP A 50 -5.428 3.972 6.936 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.699 4.043 6.350 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.460 3.749 4.672 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -5.093 5.350 5.002 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.075 7.327 3.615 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -2.161 7.582 1.895 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -1.966 2.702 4.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.051 5.991 0.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.006 2.139 2.788 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.952 3.766 1.201 1.00 0.00 H new ATOM 778 N ALA A 51 -3.954 6.895 7.358 1.00 0.00 N ATOM 779 CA ALA A 51 -3.611 8.245 7.786 1.00 0.00 C ATOM 780 C ALA A 51 -2.610 8.219 8.936 1.00 0.00 C ATOM 781 O ALA A 51 -1.998 9.238 9.263 1.00 0.00 O ATOM 782 CB ALA A 51 -4.865 9.004 8.194 1.00 0.00 C ATOM 0 H ALA A 51 -4.915 6.620 7.560 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.146 8.758 6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.594 10.011 8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.547 9.062 7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.354 8.483 9.017 1.00 0.00 H new ATOM 788 N LEU A 52 -2.447 7.051 9.545 1.00 0.00 N ATOM 789 CA LEU A 52 -1.519 6.893 10.660 1.00 0.00 C ATOM 790 C LEU A 52 -0.113 6.580 10.158 1.00 0.00 C ATOM 791 O LEU A 52 0.874 6.838 10.848 1.00 0.00 O ATOM 792 CB LEU A 52 -1.998 5.779 11.594 1.00 0.00 C ATOM 793 CG LEU A 52 -3.367 5.990 12.243 1.00 0.00 C ATOM 794 CD1 LEU A 52 -3.692 4.842 13.186 1.00 0.00 C ATOM 795 CD2 LEU A 52 -3.408 7.319 12.983 1.00 0.00 C ATOM 0 H LEU A 52 -2.945 6.199 9.286 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.488 7.833 11.211 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.025 4.846 11.031 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.259 5.652 12.385 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.121 6.012 11.457 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.669 5.009 13.639 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.705 3.906 12.628 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.934 4.788 13.968 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.389 7.452 13.438 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.644 7.327 13.760 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.220 8.132 12.282 1.00 0.00 H new ATOM 807 N LEU A 53 -0.030 6.029 8.953 1.00 0.00 N ATOM 808 CA LEU A 53 1.256 5.684 8.357 1.00 0.00 C ATOM 809 C LEU A 53 2.125 6.925 8.181 1.00 0.00 C ATOM 810 O LEU A 53 1.622 8.048 8.154 1.00 0.00 O ATOM 811 CB LEU A 53 1.047 4.998 7.006 1.00 0.00 C ATOM 812 CG LEU A 53 0.760 3.497 7.052 1.00 0.00 C ATOM 813 CD1 LEU A 53 0.223 3.015 5.713 1.00 0.00 C ATOM 814 CD2 LEU A 53 2.014 2.726 7.435 1.00 0.00 C ATOM 0 H LEU A 53 -0.837 5.811 8.369 1.00 0.00 H new ATOM 0 HA LEU A 53 1.768 4.997 9.031 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.219 5.490 6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.937 5.159 6.398 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.000 3.315 7.812 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.025 1.944 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.701 3.544 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.960 3.210 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.791 1.659 7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.796 2.914 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.355 3.051 8.418 1.00 0.00 H new ATOM 826 N ARG A 54 3.432 6.714 8.060 1.00 0.00 N ATOM 827 CA ARG A 54 4.370 7.816 7.885 1.00 0.00 C ATOM 828 C ARG A 54 4.891 7.865 6.452 1.00 0.00 C ATOM 829 O ARG A 54 4.775 6.892 5.707 1.00 0.00 O ATOM 830 CB ARG A 54 5.542 7.675 8.860 1.00 0.00 C ATOM 831 CG ARG A 54 5.123 7.243 10.256 1.00 0.00 C ATOM 832 CD ARG A 54 6.238 7.470 11.266 1.00 0.00 C ATOM 833 NE ARG A 54 5.835 7.095 12.619 1.00 0.00 N ATOM 834 CZ ARG A 54 6.608 7.253 13.687 1.00 0.00 C ATOM 835 NH1 ARG A 54 7.820 7.777 13.560 1.00 0.00 N ATOM 836 NH2 ARG A 54 6.171 6.888 14.885 1.00 0.00 N ATOM 0 H ARG A 54 3.865 5.791 8.080 1.00 0.00 H new ATOM 0 HA ARG A 54 3.842 8.746 8.093 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.250 6.949 8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.066 8.629 8.926 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.236 7.799 10.560 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.849 6.188 10.245 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.114 6.891 10.975 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.531 8.520 11.253 1.00 0.00 H new ATOM 0 HE ARG A 54 4.908 6.689 12.751 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.160 8.059 12.641 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.412 7.898 14.382 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.240 6.485 14.987 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.766 7.010 15.704 1.00 0.00 H new ATOM 850 N GLU A 55 5.464 9.003 6.074 1.00 0.00 N ATOM 851 CA GLU A 55 6.000 9.178 4.730 1.00 0.00 C ATOM 852 C GLU A 55 6.842 7.974 4.319 1.00 0.00 C ATOM 853 O GLU A 55 6.682 7.438 3.223 1.00 0.00 O ATOM 854 CB GLU A 55 6.844 10.453 4.655 1.00 0.00 C ATOM 855 CG GLU A 55 7.065 10.955 3.238 1.00 0.00 C ATOM 856 CD GLU A 55 7.731 12.317 3.199 1.00 0.00 C ATOM 857 OE1 GLU A 55 8.924 12.403 3.558 1.00 0.00 O ATOM 858 OE2 GLU A 55 7.060 13.295 2.810 1.00 0.00 O ATOM 0 H GLU A 55 5.569 9.817 6.679 1.00 0.00 H new ATOM 0 HA GLU A 55 5.160 9.265 4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.357 11.236 5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.812 10.266 5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.680 10.238 2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.106 11.008 2.722 1.00 0.00 H new ATOM 865 N GLU A 56 7.739 7.554 5.206 1.00 0.00 N ATOM 866 CA GLU A 56 8.606 6.414 4.935 1.00 0.00 C ATOM 867 C GLU A 56 7.788 5.193 4.525 1.00 0.00 C ATOM 868 O GLU A 56 8.052 4.574 3.494 1.00 0.00 O ATOM 869 CB GLU A 56 9.452 6.085 6.166 1.00 0.00 C ATOM 870 CG GLU A 56 10.454 4.966 5.934 1.00 0.00 C ATOM 871 CD GLU A 56 11.657 5.062 6.852 1.00 0.00 C ATOM 872 OE1 GLU A 56 11.493 4.839 8.070 1.00 0.00 O ATOM 873 OE2 GLU A 56 12.763 5.358 6.352 1.00 0.00 O ATOM 0 H GLU A 56 7.884 7.986 6.118 1.00 0.00 H new ATOM 0 HA GLU A 56 9.266 6.681 4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.987 6.982 6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.791 5.805 6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.962 4.005 6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.789 4.993 4.897 1.00 0.00 H new ATOM 880 N GLU A 57 6.793 4.854 5.339 1.00 0.00 N ATOM 881 CA GLU A 57 5.937 3.706 5.061 1.00 0.00 C ATOM 882 C GLU A 57 5.286 3.833 3.688 1.00 0.00 C ATOM 883 O GLU A 57 5.397 2.938 2.850 1.00 0.00 O ATOM 884 CB GLU A 57 4.859 3.574 6.139 1.00 0.00 C ATOM 885 CG GLU A 57 5.397 3.683 7.556 1.00 0.00 C ATOM 886 CD GLU A 57 6.740 2.998 7.725 1.00 0.00 C ATOM 887 OE1 GLU A 57 7.734 3.490 7.151 1.00 0.00 O ATOM 888 OE2 GLU A 57 6.795 1.969 8.431 1.00 0.00 O ATOM 0 H GLU A 57 6.560 5.357 6.195 1.00 0.00 H new ATOM 0 HA GLU A 57 6.559 2.811 5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.107 4.347 5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.357 2.613 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.494 4.735 7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.679 3.243 8.248 1.00 0.00 H new ATOM 895 N LYS A 58 4.605 4.952 3.463 1.00 0.00 N ATOM 896 CA LYS A 58 3.936 5.198 2.192 1.00 0.00 C ATOM 897 C LYS A 58 4.881 4.948 1.021 1.00 0.00 C ATOM 898 O LYS A 58 4.520 4.282 0.051 1.00 0.00 O ATOM 899 CB LYS A 58 3.411 6.635 2.139 1.00 0.00 C ATOM 900 CG LYS A 58 2.524 7.003 3.315 1.00 0.00 C ATOM 901 CD LYS A 58 1.683 8.233 3.017 1.00 0.00 C ATOM 902 CE LYS A 58 0.511 8.353 3.979 1.00 0.00 C ATOM 903 NZ LYS A 58 -0.494 9.343 3.506 1.00 0.00 N ATOM 0 H LYS A 58 4.502 5.703 4.145 1.00 0.00 H new ATOM 0 HA LYS A 58 3.097 4.507 2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.257 7.321 2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.850 6.774 1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.871 6.164 3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.142 7.188 4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.305 9.126 3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.311 8.182 1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.035 7.379 4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.877 8.648 4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.783 9.950 4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.077 9.930 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.325 8.842 3.132 1.00 0.00 H new ATOM 917 N GLU A 59 6.094 5.485 1.120 1.00 0.00 N ATOM 918 CA GLU A 59 7.091 5.318 0.069 1.00 0.00 C ATOM 919 C GLU A 59 7.384 3.840 -0.173 1.00 0.00 C ATOM 920 O GLU A 59 7.316 3.359 -1.303 1.00 0.00 O ATOM 921 CB GLU A 59 8.381 6.053 0.438 1.00 0.00 C ATOM 922 CG GLU A 59 9.343 6.216 -0.727 1.00 0.00 C ATOM 923 CD GLU A 59 10.333 7.345 -0.513 1.00 0.00 C ATOM 924 OE1 GLU A 59 9.973 8.326 0.173 1.00 0.00 O ATOM 925 OE2 GLU A 59 11.464 7.250 -1.031 1.00 0.00 O ATOM 0 H GLU A 59 6.409 6.039 1.917 1.00 0.00 H new ATOM 0 HA GLU A 59 6.689 5.745 -0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.128 7.038 0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.882 5.510 1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.888 5.284 -0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.775 6.403 -1.638 1.00 0.00 H new ATOM 932 N LYS A 60 7.712 3.127 0.899 1.00 0.00 N ATOM 933 CA LYS A 60 8.017 1.702 0.806 1.00 0.00 C ATOM 934 C LYS A 60 6.924 0.962 0.043 1.00 0.00 C ATOM 935 O LYS A 60 7.197 0.272 -0.940 1.00 0.00 O ATOM 936 CB LYS A 60 8.175 1.102 2.205 1.00 0.00 C ATOM 937 CG LYS A 60 8.097 -0.414 2.227 1.00 0.00 C ATOM 938 CD LYS A 60 8.008 -0.947 3.647 1.00 0.00 C ATOM 939 CE LYS A 60 8.352 -2.428 3.710 1.00 0.00 C ATOM 940 NZ LYS A 60 9.823 -2.655 3.723 1.00 0.00 N ATOM 0 H LYS A 60 7.774 3.511 1.842 1.00 0.00 H new ATOM 0 HA LYS A 60 8.955 1.590 0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.134 1.414 2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.399 1.507 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.227 -0.743 1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.975 -0.832 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.687 -0.387 4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.001 -0.790 4.033 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.909 -2.866 4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.913 -2.940 2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.016 -3.676 3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.243 -2.259 2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.239 -2.188 4.554 1.00 0.00 H new ATOM 954 N TYR A 61 5.685 1.110 0.501 1.00 0.00 N ATOM 955 CA TYR A 61 4.551 0.452 -0.138 1.00 0.00 C ATOM 956 C TYR A 61 4.488 0.796 -1.624 1.00 0.00 C ATOM 957 O TYR A 61 4.216 -0.065 -2.460 1.00 0.00 O ATOM 958 CB TYR A 61 3.246 0.861 0.547 1.00 0.00 C ATOM 959 CG TYR A 61 2.894 0.002 1.741 1.00 0.00 C ATOM 960 CD1 TYR A 61 2.126 -1.146 1.593 1.00 0.00 C ATOM 961 CD2 TYR A 61 3.331 0.339 3.016 1.00 0.00 C ATOM 962 CE1 TYR A 61 1.801 -1.933 2.681 1.00 0.00 C ATOM 963 CE2 TYR A 61 3.013 -0.443 4.110 1.00 0.00 C ATOM 964 CZ TYR A 61 2.248 -1.577 3.937 1.00 0.00 C ATOM 965 OH TYR A 61 1.927 -2.359 5.023 1.00 0.00 O ATOM 0 H TYR A 61 5.441 1.679 1.311 1.00 0.00 H new ATOM 0 HA TYR A 61 4.684 -0.625 -0.038 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.324 1.900 0.868 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.434 0.811 -0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.777 -1.428 0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.929 1.227 3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.201 -2.821 2.549 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.362 -0.168 5.094 1.00 0.00 H new ATOM 0 HH TYR A 61 2.319 -1.971 5.833 1.00 0.00 H new ATOM 975 N ALA A 62 4.743 2.061 -1.942 1.00 0.00 N ATOM 976 CA ALA A 62 4.718 2.519 -3.326 1.00 0.00 C ATOM 977 C ALA A 62 5.838 1.875 -4.137 1.00 0.00 C ATOM 978 O ALA A 62 5.634 1.479 -5.285 1.00 0.00 O ATOM 979 CB ALA A 62 4.830 4.036 -3.381 1.00 0.00 C ATOM 0 H ALA A 62 4.969 2.786 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 62 3.767 2.219 -3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.810 4.365 -4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.994 4.482 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.767 4.349 -2.919 1.00 0.00 H new ATOM 985 N GLU A 63 7.018 1.775 -3.535 1.00 0.00 N ATOM 986 CA GLU A 63 8.169 1.180 -4.204 1.00 0.00 C ATOM 987 C GLU A 63 7.885 -0.270 -4.587 1.00 0.00 C ATOM 988 O GLU A 63 8.101 -0.675 -5.729 1.00 0.00 O ATOM 989 CB GLU A 63 9.403 1.249 -3.302 1.00 0.00 C ATOM 990 CG GLU A 63 10.201 2.533 -3.459 1.00 0.00 C ATOM 991 CD GLU A 63 11.088 2.818 -2.262 1.00 0.00 C ATOM 992 OE1 GLU A 63 11.403 1.865 -1.519 1.00 0.00 O ATOM 993 OE2 GLU A 63 11.466 3.992 -2.070 1.00 0.00 O ATOM 0 H GLU A 63 7.203 2.098 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 63 8.362 1.747 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.089 1.151 -2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.050 0.400 -3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.817 2.466 -4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.515 3.367 -3.605 1.00 0.00 H new ATOM 1000 N MET A 64 7.400 -1.046 -3.624 1.00 0.00 N ATOM 1001 CA MET A 64 7.087 -2.451 -3.860 1.00 0.00 C ATOM 1002 C MET A 64 5.952 -2.592 -4.868 1.00 0.00 C ATOM 1003 O MET A 64 5.903 -3.555 -5.633 1.00 0.00 O ATOM 1004 CB MET A 64 6.707 -3.139 -2.548 1.00 0.00 C ATOM 1005 CG MET A 64 5.380 -2.668 -1.976 1.00 0.00 C ATOM 1006 SD MET A 64 4.655 -3.859 -0.833 1.00 0.00 S ATOM 1007 CE MET A 64 5.838 -3.801 0.511 1.00 0.00 C ATOM 0 H MET A 64 7.215 -0.726 -2.673 1.00 0.00 H new ATOM 0 HA MET A 64 7.976 -2.932 -4.269 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.661 -4.216 -2.712 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.493 -2.962 -1.814 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.527 -1.719 -1.461 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.682 -2.482 -2.792 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.527 -4.487 1.299 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.822 -4.093 0.143 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.886 -2.788 0.910 1.00 0.00 H new ATOM 1017 N ALA A 65 5.039 -1.626 -4.864 1.00 0.00 N ATOM 1018 CA ALA A 65 3.904 -1.642 -5.780 1.00 0.00 C ATOM 1019 C ALA A 65 4.362 -1.466 -7.223 1.00 0.00 C ATOM 1020 O ALA A 65 4.086 -2.307 -8.079 1.00 0.00 O ATOM 1021 CB ALA A 65 2.907 -0.557 -5.404 1.00 0.00 C ATOM 0 H ALA A 65 5.063 -0.822 -4.237 1.00 0.00 H new ATOM 0 HA ALA A 65 3.415 -2.613 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.065 -0.581 -6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.548 -0.729 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.393 0.417 -5.457 1.00 0.00 H new ATOM 1027 N ARG A 66 5.061 -0.367 -7.488 1.00 0.00 N ATOM 1028 CA ARG A 66 5.554 -0.080 -8.829 1.00 0.00 C ATOM 1029 C ARG A 66 6.471 -1.196 -9.322 1.00 0.00 C ATOM 1030 O ARG A 66 6.240 -1.779 -10.381 1.00 0.00 O ATOM 1031 CB ARG A 66 6.303 1.254 -8.846 1.00 0.00 C ATOM 1032 CG ARG A 66 7.446 1.323 -7.845 1.00 0.00 C ATOM 1033 CD ARG A 66 7.929 2.752 -7.649 1.00 0.00 C ATOM 1034 NE ARG A 66 6.870 3.624 -7.149 1.00 0.00 N ATOM 1035 CZ ARG A 66 6.033 4.290 -7.937 1.00 0.00 C ATOM 1036 NH1 ARG A 66 6.132 4.184 -9.254 1.00 0.00 N ATOM 1037 NH2 ARG A 66 5.095 5.064 -7.406 1.00 0.00 N ATOM 0 H ARG A 66 5.298 0.339 -6.791 1.00 0.00 H new ATOM 0 HA ARG A 66 4.696 -0.016 -9.498 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.697 1.427 -9.847 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.599 2.059 -8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.119 0.914 -6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.273 0.703 -8.191 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.765 2.759 -6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.302 3.142 -8.596 1.00 0.00 H new ATOM 0 HE ARG A 66 6.767 3.728 -6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.852 3.590 -9.665 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.488 4.696 -9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.016 5.148 -6.392 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.453 5.575 -8.011 1.00 0.00 H new ATOM 1051 N GLU A 67 7.511 -1.487 -8.546 1.00 0.00 N ATOM 1052 CA GLU A 67 8.462 -2.533 -8.906 1.00 0.00 C ATOM 1053 C GLU A 67 7.740 -3.839 -9.222 1.00 0.00 C ATOM 1054 O GLU A 67 8.082 -4.533 -10.179 1.00 0.00 O ATOM 1055 CB GLU A 67 9.465 -2.752 -7.772 1.00 0.00 C ATOM 1056 CG GLU A 67 10.290 -1.519 -7.441 1.00 0.00 C ATOM 1057 CD GLU A 67 11.511 -1.381 -8.330 1.00 0.00 C ATOM 1058 OE1 GLU A 67 12.382 -2.275 -8.285 1.00 0.00 O ATOM 1059 OE2 GLU A 67 11.597 -0.378 -9.069 1.00 0.00 O ATOM 0 H GLU A 67 7.716 -1.014 -7.666 1.00 0.00 H new ATOM 0 HA GLU A 67 8.998 -2.210 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.927 -3.069 -6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.137 -3.566 -8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.667 -0.631 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.607 -1.567 -6.399 1.00 0.00 H new ATOM 1066 N TRP A 68 6.742 -4.169 -8.409 1.00 0.00 N ATOM 1067 CA TRP A 68 5.973 -5.392 -8.601 1.00 0.00 C ATOM 1068 C TRP A 68 5.265 -5.385 -9.952 1.00 0.00 C ATOM 1069 O TRP A 68 5.373 -6.337 -10.725 1.00 0.00 O ATOM 1070 CB TRP A 68 4.949 -5.556 -7.477 1.00 0.00 C ATOM 1071 CG TRP A 68 3.981 -6.676 -7.713 1.00 0.00 C ATOM 1072 CD1 TRP A 68 4.222 -8.012 -7.568 1.00 0.00 C ATOM 1073 CD2 TRP A 68 2.619 -6.556 -8.139 1.00 0.00 C ATOM 1074 NE1 TRP A 68 3.093 -8.730 -7.878 1.00 0.00 N ATOM 1075 CE2 TRP A 68 2.094 -7.861 -8.231 1.00 0.00 C ATOM 1076 CE3 TRP A 68 1.791 -5.474 -8.450 1.00 0.00 C ATOM 1077 CZ2 TRP A 68 0.781 -8.109 -8.620 1.00 0.00 C ATOM 1078 CZ3 TRP A 68 0.488 -5.723 -8.837 1.00 0.00 C ATOM 1079 CH2 TRP A 68 -0.007 -7.031 -8.920 1.00 0.00 C ATOM 0 H TRP A 68 6.447 -3.606 -7.611 1.00 0.00 H new ATOM 0 HA TRP A 68 6.665 -6.233 -8.579 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.475 -5.732 -6.539 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.395 -4.625 -7.362 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.162 -8.441 -7.255 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.011 -9.746 -7.850 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.163 -4.462 -8.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.397 -9.117 -8.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -0.161 -4.894 -9.080 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.030 -7.192 -9.227 1.00 0.00 H new ATOM 1090 N ARG A 69 4.542 -4.305 -10.231 1.00 0.00 N ATOM 1091 CA ARG A 69 3.817 -4.175 -11.488 1.00 0.00 C ATOM 1092 C ARG A 69 4.765 -4.292 -12.678 1.00 0.00 C ATOM 1093 O ARG A 69 4.446 -4.932 -13.679 1.00 0.00 O ATOM 1094 CB ARG A 69 3.079 -2.835 -11.540 1.00 0.00 C ATOM 1095 CG ARG A 69 1.697 -2.876 -10.909 1.00 0.00 C ATOM 1096 CD ARG A 69 0.794 -1.791 -11.475 1.00 0.00 C ATOM 1097 NE ARG A 69 0.065 -2.246 -12.655 1.00 0.00 N ATOM 1098 CZ ARG A 69 -0.444 -1.425 -13.566 1.00 0.00 C ATOM 1099 NH1 ARG A 69 -0.305 -0.112 -13.432 1.00 0.00 N ATOM 1100 NH2 ARG A 69 -1.095 -1.914 -14.613 1.00 0.00 N ATOM 0 H ARG A 69 4.443 -3.508 -9.603 1.00 0.00 H new ATOM 0 HA ARG A 69 3.090 -4.985 -11.544 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.679 -2.080 -11.032 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.985 -2.522 -12.580 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.246 -3.853 -11.082 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.785 -2.752 -9.830 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.085 -1.475 -10.710 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.394 -0.919 -11.734 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.060 -3.250 -12.787 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.194 0.269 -12.628 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.697 0.517 -14.133 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.205 -2.922 -14.719 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.485 -1.282 -15.312 1.00 0.00 H new ATOM 1114 N ALA A 70 5.933 -3.668 -12.560 1.00 0.00 N ATOM 1115 CA ALA A 70 6.929 -3.704 -13.624 1.00 0.00 C ATOM 1116 C ALA A 70 7.472 -5.115 -13.821 1.00 0.00 C ATOM 1117 O ALA A 70 7.533 -5.616 -14.944 1.00 0.00 O ATOM 1118 CB ALA A 70 8.063 -2.738 -13.317 1.00 0.00 C ATOM 0 H ALA A 70 6.212 -3.132 -11.739 1.00 0.00 H new ATOM 0 HA ALA A 70 6.445 -3.397 -14.551 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.800 -2.775 -14.119 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.667 -1.726 -13.235 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.537 -3.020 -12.377 1.00 0.00 H new ATOM 1124 N ALA A 71 7.865 -5.752 -12.723 1.00 0.00 N ATOM 1125 CA ALA A 71 8.402 -7.106 -12.775 1.00 0.00 C ATOM 1126 C ALA A 71 7.369 -8.084 -13.325 1.00 0.00 C ATOM 1127 O ALA A 71 7.720 -9.072 -13.971 1.00 0.00 O ATOM 1128 CB ALA A 71 8.864 -7.545 -11.394 1.00 0.00 C ATOM 0 H ALA A 71 7.821 -5.352 -11.786 1.00 0.00 H new ATOM 0 HA ALA A 71 9.259 -7.105 -13.448 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.263 -8.558 -11.449 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.641 -6.868 -11.038 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.020 -7.524 -10.704 1.00 0.00 H new ATOM 1134 N GLN A 72 6.097 -7.804 -13.064 1.00 0.00 N ATOM 1135 CA GLN A 72 5.014 -8.661 -13.533 1.00 0.00 C ATOM 1136 C GLN A 72 4.700 -8.390 -15.001 1.00 0.00 C ATOM 1137 O GLN A 72 4.200 -9.260 -15.710 1.00 0.00 O ATOM 1138 CB GLN A 72 3.761 -8.445 -12.683 1.00 0.00 C ATOM 1139 CG GLN A 72 3.857 -9.051 -11.292 1.00 0.00 C ATOM 1140 CD GLN A 72 4.101 -10.547 -11.323 1.00 0.00 C ATOM 1141 OE1 GLN A 72 3.208 -11.327 -11.656 1.00 0.00 O ATOM 1142 NE2 GLN A 72 5.315 -10.957 -10.975 1.00 0.00 N ATOM 0 H GLN A 72 5.790 -6.991 -12.530 1.00 0.00 H new ATOM 0 HA GLN A 72 5.337 -9.697 -13.436 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.574 -7.375 -12.592 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.903 -8.876 -13.199 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.665 -8.566 -10.744 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.935 -8.848 -10.747 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.025 -10.276 -10.706 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.537 -11.953 -10.977 1.00 0.00 H new ATOM 1151 N GLY A 73 5.000 -7.174 -15.449 1.00 0.00 N ATOM 1152 CA GLY A 73 4.742 -6.810 -16.830 1.00 0.00 C ATOM 1153 C GLY A 73 4.723 -5.308 -17.040 1.00 0.00 C ATOM 1154 O GLY A 73 3.658 -4.708 -17.181 1.00 0.00 O ATOM 0 H GLY A 73 5.416 -6.436 -14.881 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.506 -7.253 -17.468 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.785 -7.229 -17.140 1.00 0.00 H new ATOM 1158 N LYS A 74 5.904 -4.699 -17.058 1.00 0.00 N ATOM 1159 CA LYS A 74 6.019 -3.259 -17.251 1.00 0.00 C ATOM 1160 C LYS A 74 5.212 -2.806 -18.463 1.00 0.00 C ATOM 1161 O LYS A 74 4.848 -3.615 -19.317 1.00 0.00 O ATOM 1162 CB LYS A 74 7.487 -2.864 -17.426 1.00 0.00 C ATOM 1163 CG LYS A 74 8.176 -3.575 -18.577 1.00 0.00 C ATOM 1164 CD LYS A 74 9.591 -3.061 -18.784 1.00 0.00 C ATOM 1165 CE LYS A 74 10.396 -3.990 -19.680 1.00 0.00 C ATOM 1166 NZ LYS A 74 11.862 -3.801 -19.500 1.00 0.00 N ATOM 0 H LYS A 74 6.795 -5.181 -16.941 1.00 0.00 H new ATOM 0 HA LYS A 74 5.619 -2.765 -16.365 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.548 -1.788 -17.586 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.025 -3.080 -16.503 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.203 -4.647 -18.380 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.599 -3.433 -19.491 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.557 -2.066 -19.227 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.088 -2.963 -17.819 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.133 -5.025 -19.460 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.132 -3.809 -20.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.331 -3.818 -20.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.040 -2.886 -19.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.240 -4.567 -18.907 1.00 0.00 H new ATOM 1180 N ASP A 75 4.936 -1.509 -18.533 1.00 0.00 N ATOM 1181 CA ASP A 75 4.174 -0.947 -19.643 1.00 0.00 C ATOM 1182 C ASP A 75 5.100 -0.285 -20.658 1.00 0.00 C ATOM 1183 O ASP A 75 6.072 0.383 -20.305 1.00 0.00 O ATOM 1184 CB ASP A 75 3.153 0.068 -19.126 1.00 0.00 C ATOM 1185 CG ASP A 75 2.040 0.329 -20.123 1.00 0.00 C ATOM 1186 OD1 ASP A 75 1.241 -0.598 -20.375 1.00 0.00 O ATOM 1187 OD2 ASP A 75 1.969 1.458 -20.651 1.00 0.00 O ATOM 0 H ASP A 75 5.228 -0.826 -17.834 1.00 0.00 H new ATOM 0 HA ASP A 75 3.646 -1.762 -20.138 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.723 -0.296 -18.193 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.660 1.006 -18.898 1.00 0.00 H new ATOM 1192 N PRO A 76 4.794 -0.475 -21.950 1.00 0.00 N ATOM 1193 CA PRO A 76 5.587 0.096 -23.044 1.00 0.00 C ATOM 1194 C PRO A 76 5.447 1.611 -23.131 1.00 0.00 C ATOM 1195 O PRO A 76 6.056 2.252 -23.986 1.00 0.00 O ATOM 1196 CB PRO A 76 5.001 -0.569 -24.292 1.00 0.00 C ATOM 1197 CG PRO A 76 3.606 -0.928 -23.910 1.00 0.00 C ATOM 1198 CD PRO A 76 3.651 -1.260 -22.443 1.00 0.00 C ATOM 0 HA PRO A 76 6.654 -0.083 -22.911 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.016 0.109 -25.146 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.573 -1.452 -24.576 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.923 -0.100 -24.102 1.00 0.00 H new ATOM 0 HG3 PRO A 76 3.248 -1.778 -24.492 1.00 0.00 H new ATOM 0 HD2 PRO A 76 2.725 -0.981 -21.940 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.795 -2.328 -22.277 1.00 0.00 H new ATOM 1206 N GLY A 77 4.639 2.180 -22.240 1.00 0.00 N ATOM 1207 CA GLY A 77 4.435 3.617 -22.235 1.00 0.00 C ATOM 1208 C GLY A 77 5.732 4.387 -22.089 1.00 0.00 C ATOM 1209 O GLY A 77 6.821 3.863 -22.326 1.00 0.00 O ATOM 0 H GLY A 77 4.123 1.671 -21.522 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.942 3.914 -23.161 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.765 3.883 -21.418 1.00 0.00 H new ATOM 1213 N PRO A 78 5.626 5.663 -21.691 1.00 0.00 N ATOM 1214 CA PRO A 78 6.790 6.535 -21.506 1.00 0.00 C ATOM 1215 C PRO A 78 7.633 6.127 -20.302 1.00 0.00 C ATOM 1216 O PRO A 78 8.659 6.744 -20.015 1.00 0.00 O ATOM 1217 CB PRO A 78 6.167 7.915 -21.280 1.00 0.00 C ATOM 1218 CG PRO A 78 4.808 7.633 -20.740 1.00 0.00 C ATOM 1219 CD PRO A 78 4.360 6.354 -21.390 1.00 0.00 C ATOM 0 HA PRO A 78 7.470 6.494 -22.357 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.757 8.506 -20.579 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.114 8.482 -22.209 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.833 7.531 -19.655 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.121 8.448 -20.968 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.729 5.765 -20.725 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.781 6.544 -22.294 1.00 0.00 H new ATOM 1227 N SER A 79 7.195 5.085 -19.604 1.00 0.00 N ATOM 1228 CA SER A 79 7.909 4.598 -18.430 1.00 0.00 C ATOM 1229 C SER A 79 9.348 4.231 -18.781 1.00 0.00 C ATOM 1230 O SER A 79 9.674 4.005 -19.947 1.00 0.00 O ATOM 1231 CB SER A 79 7.190 3.383 -17.838 1.00 0.00 C ATOM 1232 OG SER A 79 7.336 2.248 -18.674 1.00 0.00 O ATOM 0 H SER A 79 6.349 4.562 -19.831 1.00 0.00 H new ATOM 0 HA SER A 79 7.928 5.397 -17.689 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.592 3.164 -16.849 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.132 3.610 -17.709 1.00 0.00 H new ATOM 0 HG SER A 79 6.461 1.993 -19.035 1.00 0.00 H new ATOM 1238 N GLU A 80 10.202 4.174 -17.765 1.00 0.00 N ATOM 1239 CA GLU A 80 11.606 3.835 -17.967 1.00 0.00 C ATOM 1240 C GLU A 80 11.842 2.343 -17.755 1.00 0.00 C ATOM 1241 O GLU A 80 11.157 1.701 -16.959 1.00 0.00 O ATOM 1242 CB GLU A 80 12.490 4.643 -17.015 1.00 0.00 C ATOM 1243 CG GLU A 80 12.449 6.140 -17.268 1.00 0.00 C ATOM 1244 CD GLU A 80 12.588 6.488 -18.737 1.00 0.00 C ATOM 1245 OE1 GLU A 80 11.603 6.306 -19.484 1.00 0.00 O ATOM 1246 OE2 GLU A 80 13.679 6.940 -19.141 1.00 0.00 O ATOM 0 H GLU A 80 9.947 4.358 -16.795 1.00 0.00 H new ATOM 0 HA GLU A 80 11.869 4.084 -18.995 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.177 4.448 -15.989 1.00 0.00 H new ATOM 0 HB3 GLU A 80 13.519 4.296 -17.106 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.509 6.543 -16.891 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.250 6.621 -16.707 1.00 0.00 H new ATOM 1253 N LYS A 81 12.816 1.795 -18.474 1.00 0.00 N ATOM 1254 CA LYS A 81 13.145 0.379 -18.366 1.00 0.00 C ATOM 1255 C LYS A 81 14.572 0.188 -17.864 1.00 0.00 C ATOM 1256 O LYS A 81 15.533 0.391 -18.607 1.00 0.00 O ATOM 1257 CB LYS A 81 12.973 -0.311 -19.722 1.00 0.00 C ATOM 1258 CG LYS A 81 11.527 -0.406 -20.177 1.00 0.00 C ATOM 1259 CD LYS A 81 11.110 0.820 -20.971 1.00 0.00 C ATOM 1260 CE LYS A 81 11.636 0.766 -22.398 1.00 0.00 C ATOM 1261 NZ LYS A 81 13.002 1.347 -22.509 1.00 0.00 N ATOM 0 H LYS A 81 13.392 2.311 -19.139 1.00 0.00 H new ATOM 0 HA LYS A 81 12.462 -0.073 -17.646 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.546 0.233 -20.472 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.394 -1.315 -19.665 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.395 -1.299 -20.788 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.878 -0.516 -19.308 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.023 0.893 -20.986 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.483 1.718 -20.478 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.653 -0.269 -22.740 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.957 1.308 -23.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.089 1.861 -23.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.165 2.003 -21.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.708 0.584 -22.477 1.00 0.00 H new ATOM 1275 N GLN A 82 14.704 -0.204 -16.601 1.00 0.00 N ATOM 1276 CA GLN A 82 16.014 -0.422 -16.001 1.00 0.00 C ATOM 1277 C GLN A 82 16.349 -1.910 -15.951 1.00 0.00 C ATOM 1278 O GLN A 82 15.458 -2.754 -15.855 1.00 0.00 O ATOM 1279 CB GLN A 82 16.059 0.171 -14.591 1.00 0.00 C ATOM 1280 CG GLN A 82 17.470 0.382 -14.066 1.00 0.00 C ATOM 1281 CD GLN A 82 17.533 1.430 -12.972 1.00 0.00 C ATOM 1282 OE1 GLN A 82 17.924 2.573 -13.212 1.00 0.00 O ATOM 1283 NE2 GLN A 82 17.148 1.046 -11.761 1.00 0.00 N ATOM 0 H GLN A 82 13.919 -0.377 -15.973 1.00 0.00 H new ATOM 0 HA GLN A 82 16.757 0.079 -16.621 1.00 0.00 H new ATOM 0 HB2 GLN A 82 15.533 1.126 -14.590 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.522 -0.489 -13.910 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.856 -0.562 -13.682 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.119 0.681 -14.889 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.831 0.089 -11.606 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.169 1.708 -10.985 1.00 0.00 H new ATOM 1292 N LYS A 83 17.638 -2.224 -16.016 1.00 0.00 N ATOM 1293 CA LYS A 83 18.092 -3.609 -15.977 1.00 0.00 C ATOM 1294 C LYS A 83 17.517 -4.336 -14.765 1.00 0.00 C ATOM 1295 O LYS A 83 17.362 -3.766 -13.685 1.00 0.00 O ATOM 1296 CB LYS A 83 19.621 -3.665 -15.941 1.00 0.00 C ATOM 1297 CG LYS A 83 20.237 -2.781 -14.871 1.00 0.00 C ATOM 1298 CD LYS A 83 21.736 -2.626 -15.070 1.00 0.00 C ATOM 1299 CE LYS A 83 22.056 -1.490 -16.029 1.00 0.00 C ATOM 1300 NZ LYS A 83 21.751 -1.852 -17.441 1.00 0.00 N ATOM 0 H LYS A 83 18.388 -1.537 -16.096 1.00 0.00 H new ATOM 0 HA LYS A 83 17.737 -4.107 -16.879 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.935 -4.695 -15.774 1.00 0.00 H new ATOM 0 HB3 LYS A 83 20.010 -3.367 -16.915 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.763 -1.800 -14.891 1.00 0.00 H new ATOM 0 HG3 LYS A 83 20.042 -3.209 -13.888 1.00 0.00 H new ATOM 0 HD2 LYS A 83 22.214 -2.438 -14.109 1.00 0.00 H new ATOM 0 HD3 LYS A 83 22.151 -3.557 -15.456 1.00 0.00 H new ATOM 0 HE2 LYS A 83 21.483 -0.606 -15.749 1.00 0.00 H new ATOM 0 HE3 LYS A 83 23.110 -1.227 -15.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 22.363 -1.305 -18.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 21.921 -2.868 -17.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 20.755 -1.636 -17.647 1.00 0.00 H new ATOM 1314 N PRO A 84 17.194 -5.625 -14.946 1.00 0.00 N ATOM 1315 CA PRO A 84 16.634 -6.458 -13.878 1.00 0.00 C ATOM 1316 C PRO A 84 17.653 -6.765 -12.786 1.00 0.00 C ATOM 1317 O PRO A 84 18.846 -6.901 -13.058 1.00 0.00 O ATOM 1318 CB PRO A 84 16.226 -7.742 -14.605 1.00 0.00 C ATOM 1319 CG PRO A 84 17.114 -7.797 -15.800 1.00 0.00 C ATOM 1320 CD PRO A 84 17.352 -6.369 -16.206 1.00 0.00 C ATOM 0 HA PRO A 84 15.810 -5.962 -13.365 1.00 0.00 H new ATOM 0 HB2 PRO A 84 16.362 -8.617 -13.970 1.00 0.00 H new ATOM 0 HB3 PRO A 84 15.175 -7.717 -14.893 1.00 0.00 H new ATOM 0 HG2 PRO A 84 18.053 -8.298 -15.565 1.00 0.00 H new ATOM 0 HG3 PRO A 84 16.646 -8.360 -16.608 1.00 0.00 H new ATOM 0 HD2 PRO A 84 18.346 -6.233 -16.631 1.00 0.00 H new ATOM 0 HD3 PRO A 84 16.636 -6.041 -16.959 1.00 0.00 H new ATOM 1328 N VAL A 85 17.175 -6.873 -11.550 1.00 0.00 N ATOM 1329 CA VAL A 85 18.045 -7.165 -10.417 1.00 0.00 C ATOM 1330 C VAL A 85 17.996 -8.644 -10.054 1.00 0.00 C ATOM 1331 O VAL A 85 16.951 -9.163 -9.660 1.00 0.00 O ATOM 1332 CB VAL A 85 17.659 -6.330 -9.182 1.00 0.00 C ATOM 1333 CG1 VAL A 85 18.526 -6.707 -7.990 1.00 0.00 C ATOM 1334 CG2 VAL A 85 17.772 -4.845 -9.486 1.00 0.00 C ATOM 0 H VAL A 85 16.190 -6.763 -11.308 1.00 0.00 H new ATOM 0 HA VAL A 85 19.058 -6.902 -10.720 1.00 0.00 H new ATOM 0 HB VAL A 85 16.621 -6.547 -8.929 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.239 -6.107 -7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.388 -7.763 -7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 85 19.573 -6.521 -8.229 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.495 -4.271 -8.602 1.00 0.00 H new ATOM 0 HG22 VAL A 85 18.798 -4.608 -9.766 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.103 -4.590 -10.308 1.00 0.00 H new ATOM 1344 N PHE A 86 19.132 -9.320 -10.188 1.00 0.00 N ATOM 1345 CA PHE A 86 19.219 -10.742 -9.874 1.00 0.00 C ATOM 1346 C PHE A 86 20.277 -10.999 -8.805 1.00 0.00 C ATOM 1347 O PHE A 86 21.187 -10.194 -8.609 1.00 0.00 O ATOM 1348 CB PHE A 86 19.546 -11.545 -11.134 1.00 0.00 C ATOM 1349 CG PHE A 86 20.906 -11.246 -11.700 1.00 0.00 C ATOM 1350 CD1 PHE A 86 22.048 -11.715 -11.073 1.00 0.00 C ATOM 1351 CD2 PHE A 86 21.039 -10.496 -12.857 1.00 0.00 C ATOM 1352 CE1 PHE A 86 23.301 -11.442 -11.592 1.00 0.00 C ATOM 1353 CE2 PHE A 86 22.288 -10.221 -13.380 1.00 0.00 C ATOM 1354 CZ PHE A 86 23.421 -10.693 -12.746 1.00 0.00 C ATOM 0 H PHE A 86 20.006 -8.906 -10.512 1.00 0.00 H new ATOM 0 HA PHE A 86 18.252 -11.063 -9.488 1.00 0.00 H new ATOM 0 HB2 PHE A 86 19.483 -12.609 -10.904 1.00 0.00 H new ATOM 0 HB3 PHE A 86 18.792 -11.338 -11.893 1.00 0.00 H new ATOM 0 HD1 PHE A 86 21.960 -12.300 -10.169 1.00 0.00 H new ATOM 0 HD2 PHE A 86 20.157 -10.122 -13.356 1.00 0.00 H new ATOM 0 HE1 PHE A 86 24.185 -11.814 -11.095 1.00 0.00 H new ATOM 0 HE2 PHE A 86 22.378 -9.637 -14.284 1.00 0.00 H new ATOM 0 HZ PHE A 86 24.398 -10.477 -13.152 1.00 0.00 H new ATOM 1364 N THR A 87 20.149 -12.127 -8.113 1.00 0.00 N ATOM 1365 CA THR A 87 21.090 -12.490 -7.063 1.00 0.00 C ATOM 1366 C THR A 87 20.869 -13.927 -6.598 1.00 0.00 C ATOM 1367 O THR A 87 19.787 -14.487 -6.777 1.00 0.00 O ATOM 1368 CB THR A 87 20.973 -11.547 -5.851 1.00 0.00 C ATOM 1369 OG1 THR A 87 22.018 -11.822 -4.912 1.00 0.00 O ATOM 1370 CG2 THR A 87 19.621 -11.704 -5.172 1.00 0.00 C ATOM 0 H THR A 87 19.402 -12.805 -8.262 1.00 0.00 H new ATOM 0 HA THR A 87 22.089 -12.398 -7.490 1.00 0.00 H new ATOM 0 HB THR A 87 21.067 -10.521 -6.207 1.00 0.00 H new ATOM 0 HG1 THR A 87 21.937 -11.217 -4.146 1.00 0.00 H new ATOM 0 HG21 THR A 87 19.562 -11.028 -4.319 1.00 0.00 H new ATOM 0 HG22 THR A 87 18.828 -11.465 -5.881 1.00 0.00 H new ATOM 0 HG23 THR A 87 19.503 -12.732 -4.829 1.00 0.00 H new ATOM 1378 N SER A 88 21.899 -14.515 -6.000 1.00 0.00 N ATOM 1379 CA SER A 88 21.817 -15.887 -5.512 1.00 0.00 C ATOM 1380 C SER A 88 21.864 -15.925 -3.987 1.00 0.00 C ATOM 1381 O SER A 88 22.385 -15.012 -3.348 1.00 0.00 O ATOM 1382 CB SER A 88 22.958 -16.725 -6.090 1.00 0.00 C ATOM 1383 OG SER A 88 22.751 -16.988 -7.466 1.00 0.00 O ATOM 0 H SER A 88 22.800 -14.064 -5.841 1.00 0.00 H new ATOM 0 HA SER A 88 20.866 -16.307 -5.839 1.00 0.00 H new ATOM 0 HB2 SER A 88 23.904 -16.200 -5.955 1.00 0.00 H new ATOM 0 HB3 SER A 88 23.035 -17.665 -5.544 1.00 0.00 H new ATOM 0 HG SER A 88 23.495 -17.524 -7.812 1.00 0.00 H new ATOM 1389 N GLY A 89 21.316 -16.990 -3.410 1.00 0.00 N ATOM 1390 CA GLY A 89 21.306 -17.128 -1.965 1.00 0.00 C ATOM 1391 C GLY A 89 22.474 -17.948 -1.453 1.00 0.00 C ATOM 1392 O GLY A 89 22.935 -18.885 -2.104 1.00 0.00 O ATOM 0 H GLY A 89 20.879 -17.760 -3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 89 21.333 -16.139 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 89 20.373 -17.597 -1.654 1.00 0.00 H new ATOM 1396 N PRO A 90 22.972 -17.593 -0.259 1.00 0.00 N ATOM 1397 CA PRO A 90 24.101 -18.289 0.365 1.00 0.00 C ATOM 1398 C PRO A 90 23.731 -19.694 0.828 1.00 0.00 C ATOM 1399 O PRO A 90 23.079 -19.867 1.858 1.00 0.00 O ATOM 1400 CB PRO A 90 24.442 -17.403 1.566 1.00 0.00 C ATOM 1401 CG PRO A 90 23.173 -16.692 1.885 1.00 0.00 C ATOM 1402 CD PRO A 90 22.472 -16.486 0.571 1.00 0.00 C ATOM 0 HA PRO A 90 24.930 -18.428 -0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 90 24.786 -17.998 2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 90 25.240 -16.700 1.326 1.00 0.00 H new ATOM 0 HG2 PRO A 90 22.558 -17.279 2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 90 23.372 -15.739 2.375 1.00 0.00 H new ATOM 0 HD2 PRO A 90 21.388 -16.525 0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 90 22.712 -15.516 0.135 1.00 0.00 H new ATOM 1410 N SER A 91 24.152 -20.694 0.060 1.00 0.00 N ATOM 1411 CA SER A 91 23.862 -22.085 0.390 1.00 0.00 C ATOM 1412 C SER A 91 24.029 -22.335 1.886 1.00 0.00 C ATOM 1413 O SER A 91 23.257 -23.077 2.493 1.00 0.00 O ATOM 1414 CB SER A 91 24.779 -23.021 -0.400 1.00 0.00 C ATOM 1415 OG SER A 91 26.142 -22.678 -0.212 1.00 0.00 O ATOM 0 H SER A 91 24.695 -20.567 -0.794 1.00 0.00 H new ATOM 0 HA SER A 91 22.826 -22.288 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 91 24.613 -24.051 -0.083 1.00 0.00 H new ATOM 0 HB3 SER A 91 24.531 -22.969 -1.460 1.00 0.00 H new ATOM 0 HG SER A 91 26.708 -23.292 -0.726 1.00 0.00 H new ATOM 1421 N SER A 92 25.044 -21.709 2.474 1.00 0.00 N ATOM 1422 CA SER A 92 25.316 -21.865 3.898 1.00 0.00 C ATOM 1423 C SER A 92 25.482 -23.338 4.262 1.00 0.00 C ATOM 1424 O SER A 92 25.055 -23.778 5.328 1.00 0.00 O ATOM 1425 CB SER A 92 24.186 -21.249 4.726 1.00 0.00 C ATOM 1426 OG SER A 92 24.246 -19.834 4.696 1.00 0.00 O ATOM 0 H SER A 92 25.691 -21.089 1.986 1.00 0.00 H new ATOM 0 HA SER A 92 26.247 -21.345 4.123 1.00 0.00 H new ATOM 0 HB2 SER A 92 23.223 -21.584 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 92 24.254 -21.597 5.757 1.00 0.00 H new ATOM 0 HG SER A 92 23.896 -19.510 3.840 1.00 0.00 H new ATOM 1432 N GLY A 93 26.106 -24.096 3.364 1.00 0.00 N ATOM 1433 CA GLY A 93 26.319 -25.511 3.607 1.00 0.00 C ATOM 1434 C GLY A 93 25.440 -26.386 2.736 1.00 0.00 C ATOM 1435 O GLY A 93 25.864 -26.841 1.674 1.00 0.00 O ATOM 0 H GLY A 93 26.467 -23.755 2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 93 27.365 -25.755 3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 93 26.120 -25.731 4.656 1.00 0.00 H new TER 1439 GLY A 93