USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 592 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 42 THR OG1 : rot -67:sc= 1.19 USER MOD Set 1.2: A 45 GLN : amide:sc= -3.75! C(o=-2.6!,f=-7.9!) 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -1.57 (180deg=-2.2!) USER MOD Single : A 13 THR OG1 : rot -64:sc= -0.675 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0416 USER MOD Single : A 33 LYS NZ :NH3+ -130:sc= 0.00719 (180deg=0) USER MOD Single : A 35 SER OG : rot 21:sc= -1.87! USER MOD Single : A 36 LYS NZ :NH3+ -129:sc= -0.101 (180deg=-0.617) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0191) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.0896 USER MOD Single : A 52 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.6!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.207 K(o=-0.21,f=-2.1!) USER MOD Single : A 57 LYS NZ :NH3+ -165:sc= 2.12 (180deg=1.5) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.8) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.633 2.642 -0.559 1.00 0.00 N ATOM 2 CA GLY A 1 -20.361 3.502 -1.474 1.00 0.00 C ATOM 3 C GLY A 1 -19.446 4.233 -2.435 1.00 0.00 C ATOM 4 O GLY A 1 -18.598 5.023 -2.018 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.304 2.165 0.077 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.102 1.930 -1.100 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.971 3.214 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.074 2.903 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.938 4.229 -0.903 1.00 0.00 H new ATOM 8 N SER A 2 -19.615 3.969 -3.727 1.00 0.00 N ATOM 9 CA SER A 2 -18.793 4.604 -4.751 1.00 0.00 C ATOM 10 C SER A 2 -19.652 5.087 -5.915 1.00 0.00 C ATOM 11 O SER A 2 -20.567 4.392 -6.356 1.00 0.00 O ATOM 12 CB SER A 2 -17.729 3.628 -5.258 1.00 0.00 C ATOM 13 OG SER A 2 -18.314 2.405 -5.670 1.00 0.00 O ATOM 0 H SER A 2 -20.313 3.320 -4.089 1.00 0.00 H new ATOM 0 HA SER A 2 -18.301 5.467 -4.303 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.189 4.075 -6.092 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.000 3.439 -4.470 1.00 0.00 H new ATOM 0 HG SER A 2 -17.614 1.799 -5.991 1.00 0.00 H new ATOM 19 N SER A 3 -19.351 6.284 -6.408 1.00 0.00 N ATOM 20 CA SER A 3 -20.097 6.864 -7.518 1.00 0.00 C ATOM 21 C SER A 3 -19.664 6.247 -8.845 1.00 0.00 C ATOM 22 O SER A 3 -18.527 5.801 -8.993 1.00 0.00 O ATOM 23 CB SER A 3 -19.898 8.380 -7.558 1.00 0.00 C ATOM 24 OG SER A 3 -18.532 8.710 -7.748 1.00 0.00 O ATOM 0 H SER A 3 -18.595 6.871 -6.056 1.00 0.00 H new ATOM 0 HA SER A 3 -21.154 6.648 -7.365 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.494 8.807 -8.364 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.256 8.822 -6.628 1.00 0.00 H new ATOM 0 HG SER A 3 -18.431 9.685 -7.772 1.00 0.00 H new ATOM 30 N GLY A 4 -20.580 6.227 -9.808 1.00 0.00 N ATOM 31 CA GLY A 4 -20.275 5.663 -11.110 1.00 0.00 C ATOM 32 C GLY A 4 -20.370 4.151 -11.124 1.00 0.00 C ATOM 33 O GLY A 4 -19.833 3.481 -10.241 1.00 0.00 O ATOM 0 H GLY A 4 -21.528 6.591 -9.710 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.962 6.074 -11.850 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.270 5.963 -11.406 1.00 0.00 H new ATOM 37 N SER A 5 -21.055 3.611 -12.126 1.00 0.00 N ATOM 38 CA SER A 5 -21.223 2.167 -12.248 1.00 0.00 C ATOM 39 C SER A 5 -19.981 1.526 -12.860 1.00 0.00 C ATOM 40 O SER A 5 -19.388 0.617 -12.279 1.00 0.00 O ATOM 41 CB SER A 5 -22.451 1.845 -13.102 1.00 0.00 C ATOM 42 OG SER A 5 -23.648 2.159 -12.412 1.00 0.00 O ATOM 0 H SER A 5 -21.503 4.151 -12.866 1.00 0.00 H new ATOM 0 HA SER A 5 -21.367 1.757 -11.248 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.407 2.407 -14.035 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.447 0.788 -13.367 1.00 0.00 H new ATOM 0 HG SER A 5 -24.418 1.946 -12.979 1.00 0.00 H new ATOM 48 N SER A 6 -19.594 2.006 -14.037 1.00 0.00 N ATOM 49 CA SER A 6 -18.426 1.478 -14.732 1.00 0.00 C ATOM 50 C SER A 6 -17.225 2.401 -14.553 1.00 0.00 C ATOM 51 O SER A 6 -17.095 3.410 -15.246 1.00 0.00 O ATOM 52 CB SER A 6 -18.729 1.298 -16.220 1.00 0.00 C ATOM 53 OG SER A 6 -19.526 0.147 -16.443 1.00 0.00 O ATOM 0 H SER A 6 -20.072 2.760 -14.530 1.00 0.00 H new ATOM 0 HA SER A 6 -18.184 0.507 -14.299 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.245 2.180 -16.599 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.796 1.211 -16.776 1.00 0.00 H new ATOM 0 HG SER A 6 -19.707 0.055 -17.402 1.00 0.00 H new ATOM 59 N GLY A 7 -16.348 2.048 -13.619 1.00 0.00 N ATOM 60 CA GLY A 7 -15.168 2.854 -13.365 1.00 0.00 C ATOM 61 C GLY A 7 -14.475 2.477 -12.071 1.00 0.00 C ATOM 62 O GLY A 7 -14.684 3.113 -11.038 1.00 0.00 O ATOM 0 H GLY A 7 -16.433 1.218 -13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.469 2.741 -14.194 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.451 3.906 -13.328 1.00 0.00 H new ATOM 66 N TYR A 8 -13.648 1.438 -12.126 1.00 0.00 N ATOM 67 CA TYR A 8 -12.925 0.974 -10.949 1.00 0.00 C ATOM 68 C TYR A 8 -11.457 1.388 -11.012 1.00 0.00 C ATOM 69 O TYR A 8 -10.950 1.755 -12.072 1.00 0.00 O ATOM 70 CB TYR A 8 -13.032 -0.547 -10.825 1.00 0.00 C ATOM 71 CG TYR A 8 -12.045 -1.296 -11.691 1.00 0.00 C ATOM 72 CD1 TYR A 8 -10.768 -1.589 -11.228 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.389 -1.711 -12.971 1.00 0.00 C ATOM 74 CE1 TYR A 8 -9.862 -2.273 -12.016 1.00 0.00 C ATOM 75 CE2 TYR A 8 -11.491 -2.397 -13.766 1.00 0.00 C ATOM 76 CZ TYR A 8 -10.229 -2.675 -13.284 1.00 0.00 C ATOM 77 OH TYR A 8 -9.330 -3.357 -14.072 1.00 0.00 O ATOM 0 H TYR A 8 -13.462 0.902 -12.974 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.377 1.436 -10.071 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.877 -0.830 -9.784 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.043 -0.855 -11.092 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.479 -1.277 -10.235 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -13.376 -1.494 -13.352 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.873 -2.492 -11.642 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.775 -2.714 -14.759 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.745 -3.568 -14.934 1.00 0.00 H new ATOM 87 N SER A 9 -10.781 1.324 -9.870 1.00 0.00 N ATOM 88 CA SER A 9 -9.373 1.694 -9.793 1.00 0.00 C ATOM 89 C SER A 9 -8.547 0.566 -9.183 1.00 0.00 C ATOM 90 O SER A 9 -9.059 -0.249 -8.416 1.00 0.00 O ATOM 91 CB SER A 9 -9.204 2.970 -8.966 1.00 0.00 C ATOM 92 OG SER A 9 -9.322 2.699 -7.581 1.00 0.00 O ATOM 0 H SER A 9 -11.186 1.019 -8.985 1.00 0.00 H new ATOM 0 HA SER A 9 -9.015 1.876 -10.806 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.230 3.414 -9.171 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.956 3.701 -9.262 1.00 0.00 H new ATOM 0 HG SER A 9 -9.208 3.530 -7.074 1.00 0.00 H new ATOM 98 N VAL A 10 -7.264 0.526 -9.530 1.00 0.00 N ATOM 99 CA VAL A 10 -6.365 -0.501 -9.017 1.00 0.00 C ATOM 100 C VAL A 10 -5.599 -0.001 -7.798 1.00 0.00 C ATOM 101 O VAL A 10 -4.375 -0.115 -7.730 1.00 0.00 O ATOM 102 CB VAL A 10 -5.359 -0.954 -10.092 1.00 0.00 C ATOM 103 CG1 VAL A 10 -4.486 -2.082 -9.564 1.00 0.00 C ATOM 104 CG2 VAL A 10 -6.088 -1.380 -11.358 1.00 0.00 C ATOM 0 H VAL A 10 -6.824 1.193 -10.164 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.985 -1.350 -8.730 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.713 -0.112 -10.339 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.781 -2.389 -10.337 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.936 -1.737 -8.688 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.114 -2.929 -9.288 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.362 -1.697 -12.107 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.759 -2.208 -11.130 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.666 -0.541 -11.745 1.00 0.00 H new ATOM 114 N LYS A 11 -6.327 0.553 -6.835 1.00 0.00 N ATOM 115 CA LYS A 11 -5.718 1.070 -5.615 1.00 0.00 C ATOM 116 C LYS A 11 -5.174 -0.066 -4.755 1.00 0.00 C ATOM 117 O LYS A 11 -5.577 -1.219 -4.907 1.00 0.00 O ATOM 118 CB LYS A 11 -6.738 1.885 -4.817 1.00 0.00 C ATOM 119 CG LYS A 11 -7.776 1.033 -4.107 1.00 0.00 C ATOM 120 CD LYS A 11 -7.298 0.606 -2.729 1.00 0.00 C ATOM 121 CE LYS A 11 -8.463 0.409 -1.771 1.00 0.00 C ATOM 122 NZ LYS A 11 -8.075 -0.403 -0.585 1.00 0.00 N ATOM 0 H LYS A 11 -7.341 0.656 -6.876 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.888 1.717 -5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.210 2.490 -4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.246 2.575 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.706 1.594 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.995 0.150 -4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.732 -0.322 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.620 1.359 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.830 1.381 -1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.284 -0.081 -2.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.931 -0.757 -0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.491 -1.207 -0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.532 0.187 0.077 1.00 0.00 H new ATOM 136 N TRP A 12 -4.260 0.268 -3.851 1.00 0.00 N ATOM 137 CA TRP A 12 -3.663 -0.726 -2.966 1.00 0.00 C ATOM 138 C TRP A 12 -3.642 -0.228 -1.525 1.00 0.00 C ATOM 139 O TRP A 12 -4.008 0.915 -1.246 1.00 0.00 O ATOM 140 CB TRP A 12 -2.242 -1.058 -3.424 1.00 0.00 C ATOM 141 CG TRP A 12 -2.190 -2.137 -4.463 1.00 0.00 C ATOM 142 CD1 TRP A 12 -2.873 -2.170 -5.645 1.00 0.00 C ATOM 143 CD2 TRP A 12 -1.415 -3.339 -4.412 1.00 0.00 C ATOM 144 NE1 TRP A 12 -2.569 -3.320 -6.332 1.00 0.00 N ATOM 145 CE2 TRP A 12 -1.676 -4.054 -5.598 1.00 0.00 C ATOM 146 CE3 TRP A 12 -0.524 -3.881 -3.482 1.00 0.00 C ATOM 147 CZ2 TRP A 12 -1.079 -5.281 -5.874 1.00 0.00 C ATOM 148 CZ3 TRP A 12 0.068 -5.099 -3.757 1.00 0.00 C ATOM 149 CH2 TRP A 12 -0.211 -5.788 -4.945 1.00 0.00 C ATOM 0 H TRP A 12 -3.916 1.218 -3.712 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.272 -1.629 -3.010 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.777 -0.157 -3.823 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -1.652 -1.366 -2.561 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.552 -1.404 -5.989 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.947 -3.584 -7.242 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -0.302 -3.357 -2.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.293 -5.814 -6.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.757 -5.527 -3.044 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.268 -6.738 -5.131 1.00 0.00 H new ATOM 160 N THR A 13 -3.213 -1.092 -0.611 1.00 0.00 N ATOM 161 CA THR A 13 -3.146 -0.740 0.802 1.00 0.00 C ATOM 162 C THR A 13 -1.815 -1.165 1.412 1.00 0.00 C ATOM 163 O THR A 13 -1.200 -2.136 0.969 1.00 0.00 O ATOM 164 CB THR A 13 -4.293 -1.390 1.598 1.00 0.00 C ATOM 165 OG1 THR A 13 -4.150 -2.815 1.589 1.00 0.00 O ATOM 166 CG2 THR A 13 -5.643 -1.007 1.011 1.00 0.00 C ATOM 0 H THR A 13 -2.906 -2.041 -0.824 1.00 0.00 H new ATOM 0 HA THR A 13 -3.241 0.344 0.862 1.00 0.00 H new ATOM 0 HB THR A 13 -4.245 -1.027 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.238 -3.147 0.671 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.438 -1.478 1.589 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.761 0.076 1.046 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.699 -1.345 -0.024 1.00 0.00 H new ATOM 174 N ILE A 14 -1.376 -0.434 2.430 1.00 0.00 N ATOM 175 CA ILE A 14 -0.118 -0.737 3.102 1.00 0.00 C ATOM 176 C ILE A 14 0.026 -2.235 3.349 1.00 0.00 C ATOM 177 O ILE A 14 1.057 -2.829 3.034 1.00 0.00 O ATOM 178 CB ILE A 14 -0.004 0.006 4.446 1.00 0.00 C ATOM 179 CG1 ILE A 14 -0.098 1.518 4.227 1.00 0.00 C ATOM 180 CG2 ILE A 14 1.301 -0.354 5.141 1.00 0.00 C ATOM 181 CD1 ILE A 14 -1.516 2.042 4.235 1.00 0.00 C ATOM 0 H ILE A 14 -1.873 0.373 2.808 1.00 0.00 H new ATOM 0 HA ILE A 14 0.681 -0.401 2.441 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.831 -0.302 5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.473 2.026 5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.368 1.769 3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.367 0.179 6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.331 -1.428 5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.141 -0.071 4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.506 3.120 4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.086 1.562 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.979 1.823 5.197 1.00 0.00 H new ATOM 193 N GLU A 15 -1.016 -2.840 3.912 1.00 0.00 N ATOM 194 CA GLU A 15 -1.005 -4.269 4.199 1.00 0.00 C ATOM 195 C GLU A 15 -0.349 -5.048 3.063 1.00 0.00 C ATOM 196 O GLU A 15 0.467 -5.938 3.297 1.00 0.00 O ATOM 197 CB GLU A 15 -2.430 -4.777 4.424 1.00 0.00 C ATOM 198 CG GLU A 15 -2.509 -5.975 5.356 1.00 0.00 C ATOM 199 CD GLU A 15 -3.902 -6.185 5.919 1.00 0.00 C ATOM 200 OE1 GLU A 15 -4.881 -5.918 5.192 1.00 0.00 O ATOM 201 OE2 GLU A 15 -4.012 -6.616 7.086 1.00 0.00 O ATOM 0 H GLU A 15 -1.877 -2.363 4.178 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.423 -4.426 5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.035 -3.968 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.867 -5.046 3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.200 -6.871 4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.806 -5.839 6.178 1.00 0.00 H new ATOM 208 N GLU A 16 -0.713 -4.704 1.831 1.00 0.00 N ATOM 209 CA GLU A 16 -0.161 -5.372 0.658 1.00 0.00 C ATOM 210 C GLU A 16 1.216 -4.813 0.311 1.00 0.00 C ATOM 211 O GLU A 16 2.206 -5.544 0.279 1.00 0.00 O ATOM 212 CB GLU A 16 -1.103 -5.214 -0.537 1.00 0.00 C ATOM 213 CG GLU A 16 -2.347 -6.083 -0.450 1.00 0.00 C ATOM 214 CD GLU A 16 -2.998 -6.034 0.919 1.00 0.00 C ATOM 215 OE1 GLU A 16 -2.552 -6.783 1.814 1.00 0.00 O ATOM 216 OE2 GLU A 16 -3.952 -5.248 1.095 1.00 0.00 O ATOM 0 H GLU A 16 -1.387 -3.968 1.620 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.056 -6.432 0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.404 -4.169 -0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.562 -5.459 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.066 -5.758 -1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.083 -7.114 -0.686 1.00 0.00 H new ATOM 223 N LYS A 17 1.271 -3.511 0.051 1.00 0.00 N ATOM 224 CA LYS A 17 2.525 -2.851 -0.293 1.00 0.00 C ATOM 225 C LYS A 17 3.690 -3.460 0.481 1.00 0.00 C ATOM 226 O LYS A 17 4.768 -3.677 -0.073 1.00 0.00 O ATOM 227 CB LYS A 17 2.433 -1.352 0.000 1.00 0.00 C ATOM 228 CG LYS A 17 1.626 -0.580 -1.030 1.00 0.00 C ATOM 229 CD LYS A 17 1.074 0.712 -0.451 1.00 0.00 C ATOM 230 CE LYS A 17 2.136 1.799 -0.401 1.00 0.00 C ATOM 231 NZ LYS A 17 1.536 3.156 -0.270 1.00 0.00 N ATOM 0 H LYS A 17 0.461 -2.892 0.072 1.00 0.00 H new ATOM 0 HA LYS A 17 2.703 -2.997 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.984 -1.209 0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.440 -0.937 0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.255 -0.354 -1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.804 -1.200 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.232 1.052 -1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.693 0.528 0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.805 1.615 0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.742 1.756 -1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.293 3.869 -0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.918 3.342 -1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.978 3.206 0.606 1.00 0.00 H new ATOM 245 N GLU A 18 3.466 -3.734 1.762 1.00 0.00 N ATOM 246 CA GLU A 18 4.498 -4.319 2.610 1.00 0.00 C ATOM 247 C GLU A 18 4.831 -5.739 2.160 1.00 0.00 C ATOM 248 O GLU A 18 5.970 -6.036 1.799 1.00 0.00 O ATOM 249 CB GLU A 18 4.044 -4.328 4.071 1.00 0.00 C ATOM 250 CG GLU A 18 3.783 -2.942 4.636 1.00 0.00 C ATOM 251 CD GLU A 18 5.062 -2.184 4.938 1.00 0.00 C ATOM 252 OE1 GLU A 18 6.101 -2.509 4.327 1.00 0.00 O ATOM 253 OE2 GLU A 18 5.023 -1.268 5.785 1.00 0.00 O ATOM 0 H GLU A 18 2.579 -3.560 2.235 1.00 0.00 H new ATOM 0 HA GLU A 18 5.396 -3.708 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.135 -4.923 4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.805 -4.820 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.186 -2.371 3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.194 -3.031 5.549 1.00 0.00 H new ATOM 260 N LEU A 19 3.830 -6.611 2.186 1.00 0.00 N ATOM 261 CA LEU A 19 4.015 -8.001 1.782 1.00 0.00 C ATOM 262 C LEU A 19 4.598 -8.086 0.375 1.00 0.00 C ATOM 263 O LEU A 19 5.683 -8.632 0.173 1.00 0.00 O ATOM 264 CB LEU A 19 2.684 -8.752 1.841 1.00 0.00 C ATOM 265 CG LEU A 19 2.144 -9.051 3.240 1.00 0.00 C ATOM 266 CD1 LEU A 19 0.697 -9.513 3.166 1.00 0.00 C ATOM 267 CD2 LEU A 19 3.005 -10.099 3.931 1.00 0.00 C ATOM 0 H LEU A 19 2.882 -6.381 2.482 1.00 0.00 H new ATOM 0 HA LEU A 19 4.717 -8.464 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.937 -8.170 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.798 -9.696 1.308 1.00 0.00 H new ATOM 0 HG LEU A 19 2.182 -8.133 3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.330 -9.721 4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.088 -8.731 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.635 -10.418 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.606 -10.299 4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.999 -11.018 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.027 -9.731 4.018 1.00 0.00 H new ATOM 279 N PHE A 20 3.872 -7.540 -0.594 1.00 0.00 N ATOM 280 CA PHE A 20 4.317 -7.553 -1.983 1.00 0.00 C ATOM 281 C PHE A 20 5.831 -7.382 -2.070 1.00 0.00 C ATOM 282 O PHE A 20 6.530 -8.228 -2.626 1.00 0.00 O ATOM 283 CB PHE A 20 3.621 -6.444 -2.774 1.00 0.00 C ATOM 284 CG PHE A 20 4.221 -6.208 -4.131 1.00 0.00 C ATOM 285 CD1 PHE A 20 5.392 -5.482 -4.269 1.00 0.00 C ATOM 286 CD2 PHE A 20 3.613 -6.713 -5.269 1.00 0.00 C ATOM 287 CE1 PHE A 20 5.947 -5.264 -5.516 1.00 0.00 C ATOM 288 CE2 PHE A 20 4.163 -6.499 -6.518 1.00 0.00 C ATOM 289 CZ PHE A 20 5.331 -5.772 -6.642 1.00 0.00 C ATOM 0 H PHE A 20 2.973 -7.083 -0.444 1.00 0.00 H new ATOM 0 HA PHE A 20 4.052 -8.518 -2.415 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.568 -6.698 -2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.664 -5.518 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.878 -5.081 -3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.699 -7.280 -5.179 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.861 -4.697 -5.609 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.680 -6.900 -7.397 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.761 -5.601 -7.618 1.00 0.00 H new ATOM 299 N GLU A 21 6.329 -6.280 -1.516 1.00 0.00 N ATOM 300 CA GLU A 21 7.760 -5.997 -1.533 1.00 0.00 C ATOM 301 C GLU A 21 8.546 -7.134 -0.887 1.00 0.00 C ATOM 302 O GLU A 21 9.423 -7.729 -1.513 1.00 0.00 O ATOM 303 CB GLU A 21 8.051 -4.683 -0.805 1.00 0.00 C ATOM 304 CG GLU A 21 7.850 -3.451 -1.671 1.00 0.00 C ATOM 305 CD GLU A 21 7.525 -2.213 -0.857 1.00 0.00 C ATOM 306 OE1 GLU A 21 8.367 -1.809 -0.028 1.00 0.00 O ATOM 307 OE2 GLU A 21 6.428 -1.648 -1.051 1.00 0.00 O ATOM 0 H GLU A 21 5.764 -5.570 -1.051 1.00 0.00 H new ATOM 0 HA GLU A 21 8.075 -5.905 -2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.405 -4.611 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.079 -4.698 -0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.752 -3.271 -2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.043 -3.637 -2.380 1.00 0.00 H new ATOM 314 N GLN A 22 8.226 -7.429 0.369 1.00 0.00 N ATOM 315 CA GLN A 22 8.904 -8.493 1.100 1.00 0.00 C ATOM 316 C GLN A 22 9.158 -9.696 0.198 1.00 0.00 C ATOM 317 O GLN A 22 10.299 -10.123 0.022 1.00 0.00 O ATOM 318 CB GLN A 22 8.073 -8.916 2.312 1.00 0.00 C ATOM 319 CG GLN A 22 8.860 -9.712 3.341 1.00 0.00 C ATOM 320 CD GLN A 22 7.997 -10.700 4.100 1.00 0.00 C ATOM 321 OE1 GLN A 22 7.345 -11.558 3.505 1.00 0.00 O ATOM 322 NE2 GLN A 22 7.988 -10.584 5.423 1.00 0.00 N ATOM 0 H GLN A 22 7.502 -6.946 0.901 1.00 0.00 H new ATOM 0 HA GLN A 22 9.865 -8.110 1.443 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.663 -8.026 2.789 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.227 -9.514 1.972 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.666 -10.249 2.840 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.326 -9.025 4.047 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.544 -9.858 5.875 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.425 -11.221 5.987 1.00 0.00 H new ATOM 331 N GLY A 23 8.087 -10.240 -0.372 1.00 0.00 N ATOM 332 CA GLY A 23 8.216 -11.390 -1.248 1.00 0.00 C ATOM 333 C GLY A 23 8.963 -11.063 -2.526 1.00 0.00 C ATOM 334 O GLY A 23 9.723 -11.887 -3.038 1.00 0.00 O ATOM 0 H GLY A 23 7.132 -9.905 -0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.737 -12.189 -0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.224 -11.767 -1.497 1.00 0.00 H new ATOM 338 N LEU A 24 8.746 -9.860 -3.046 1.00 0.00 N ATOM 339 CA LEU A 24 9.403 -9.427 -4.274 1.00 0.00 C ATOM 340 C LEU A 24 10.916 -9.581 -4.165 1.00 0.00 C ATOM 341 O LEU A 24 11.583 -9.956 -5.129 1.00 0.00 O ATOM 342 CB LEU A 24 9.047 -7.971 -4.580 1.00 0.00 C ATOM 343 CG LEU A 24 9.544 -7.426 -5.919 1.00 0.00 C ATOM 344 CD1 LEU A 24 8.593 -7.816 -7.040 1.00 0.00 C ATOM 345 CD2 LEU A 24 9.702 -5.914 -5.854 1.00 0.00 C ATOM 0 H LEU A 24 8.120 -9.167 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 24 9.050 -10.059 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.962 -7.869 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.449 -7.345 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 24 10.520 -7.865 -6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.963 -7.419 -7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.530 -8.902 -7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.604 -7.406 -6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.057 -5.544 -6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.740 -5.457 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.423 -5.657 -5.078 1.00 0.00 H new ATOM 357 N ALA A 25 11.452 -9.289 -2.984 1.00 0.00 N ATOM 358 CA ALA A 25 12.886 -9.399 -2.748 1.00 0.00 C ATOM 359 C ALA A 25 13.280 -10.835 -2.422 1.00 0.00 C ATOM 360 O ALA A 25 14.323 -11.319 -2.863 1.00 0.00 O ATOM 361 CB ALA A 25 13.309 -8.466 -1.623 1.00 0.00 C ATOM 0 H ALA A 25 10.914 -8.975 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 25 13.403 -9.106 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.382 -8.559 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.071 -7.437 -1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.777 -8.733 -0.710 1.00 0.00 H new ATOM 367 N LYS A 26 12.441 -11.513 -1.647 1.00 0.00 N ATOM 368 CA LYS A 26 12.700 -12.895 -1.262 1.00 0.00 C ATOM 369 C LYS A 26 12.523 -13.834 -2.451 1.00 0.00 C ATOM 370 O LYS A 26 13.479 -14.463 -2.906 1.00 0.00 O ATOM 371 CB LYS A 26 11.765 -13.314 -0.125 1.00 0.00 C ATOM 372 CG LYS A 26 12.145 -14.636 0.520 1.00 0.00 C ATOM 373 CD LYS A 26 11.051 -15.140 1.445 1.00 0.00 C ATOM 374 CE LYS A 26 11.616 -16.020 2.550 1.00 0.00 C ATOM 375 NZ LYS A 26 12.096 -17.328 2.025 1.00 0.00 N ATOM 0 H LYS A 26 11.574 -11.127 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 26 13.732 -12.962 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.762 -12.535 0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.748 -13.387 -0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.338 -15.378 -0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.071 -14.515 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.527 -14.292 1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.317 -15.704 0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.439 -15.502 3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.850 -16.191 3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.474 -17.899 2.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.305 -17.834 1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.845 -17.166 1.322 1.00 0.00 H new ATOM 389 N PHE A 27 11.295 -13.923 -2.951 1.00 0.00 N ATOM 390 CA PHE A 27 10.993 -14.785 -4.088 1.00 0.00 C ATOM 391 C PHE A 27 11.516 -14.176 -5.386 1.00 0.00 C ATOM 392 O PHE A 27 11.827 -14.890 -6.338 1.00 0.00 O ATOM 393 CB PHE A 27 9.485 -15.017 -4.193 1.00 0.00 C ATOM 394 CG PHE A 27 8.916 -15.793 -3.039 1.00 0.00 C ATOM 395 CD1 PHE A 27 9.420 -17.042 -2.711 1.00 0.00 C ATOM 396 CD2 PHE A 27 7.879 -15.274 -2.281 1.00 0.00 C ATOM 397 CE1 PHE A 27 8.899 -17.758 -1.651 1.00 0.00 C ATOM 398 CE2 PHE A 27 7.354 -15.985 -1.219 1.00 0.00 C ATOM 399 CZ PHE A 27 7.865 -17.229 -0.903 1.00 0.00 C ATOM 0 H PHE A 27 10.493 -13.409 -2.587 1.00 0.00 H new ATOM 0 HA PHE A 27 11.491 -15.742 -3.929 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.981 -14.053 -4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.271 -15.550 -5.120 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.229 -17.460 -3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.476 -14.302 -2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.300 -18.731 -1.407 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.545 -15.569 -0.637 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.457 -17.787 -0.073 1.00 0.00 H new ATOM 409 N GLY A 28 11.610 -12.850 -5.415 1.00 0.00 N ATOM 410 CA GLY A 28 12.095 -12.166 -6.600 1.00 0.00 C ATOM 411 C GLY A 28 10.978 -11.516 -7.392 1.00 0.00 C ATOM 412 O GLY A 28 10.031 -10.979 -6.816 1.00 0.00 O ATOM 0 H GLY A 28 11.359 -12.237 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.818 -11.405 -6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.621 -12.877 -7.237 1.00 0.00 H new ATOM 416 N ARG A 29 11.088 -11.562 -8.715 1.00 0.00 N ATOM 417 CA ARG A 29 10.081 -10.970 -9.587 1.00 0.00 C ATOM 418 C ARG A 29 8.987 -11.980 -9.918 1.00 0.00 C ATOM 419 O ARG A 29 8.384 -11.929 -10.990 1.00 0.00 O ATOM 420 CB ARG A 29 10.728 -10.462 -10.877 1.00 0.00 C ATOM 421 CG ARG A 29 11.299 -9.058 -10.760 1.00 0.00 C ATOM 422 CD ARG A 29 11.253 -8.325 -12.092 1.00 0.00 C ATOM 423 NE ARG A 29 12.230 -7.242 -12.154 1.00 0.00 N ATOM 424 CZ ARG A 29 12.172 -6.249 -13.035 1.00 0.00 C ATOM 425 NH1 ARG A 29 11.189 -6.204 -13.923 1.00 0.00 N ATOM 426 NH2 ARG A 29 13.099 -5.300 -13.029 1.00 0.00 N ATOM 0 H ARG A 29 11.865 -12.003 -9.207 1.00 0.00 H new ATOM 0 HA ARG A 29 9.629 -10.130 -9.060 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.525 -11.146 -11.168 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.987 -10.478 -11.676 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.736 -8.496 -10.015 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.329 -9.111 -10.408 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.442 -9.031 -12.901 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.253 -7.921 -12.249 1.00 0.00 H new ATOM 0 HE ARG A 29 12.999 -7.248 -11.484 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.475 -6.933 -13.931 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.146 -5.441 -14.598 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.857 -5.332 -12.348 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.053 -4.538 -13.706 1.00 0.00 H new ATOM 440 N ARG A 30 8.736 -12.898 -8.990 1.00 0.00 N ATOM 441 CA ARG A 30 7.716 -13.922 -9.184 1.00 0.00 C ATOM 442 C ARG A 30 6.358 -13.437 -8.685 1.00 0.00 C ATOM 443 O ARG A 30 6.184 -13.164 -7.497 1.00 0.00 O ATOM 444 CB ARG A 30 8.109 -15.209 -8.456 1.00 0.00 C ATOM 445 CG ARG A 30 9.266 -15.948 -9.109 1.00 0.00 C ATOM 446 CD ARG A 30 8.871 -16.518 -10.462 1.00 0.00 C ATOM 447 NE ARG A 30 9.977 -17.225 -11.102 1.00 0.00 N ATOM 448 CZ ARG A 30 10.936 -16.618 -11.791 1.00 0.00 C ATOM 449 NH1 ARG A 30 10.926 -15.300 -11.928 1.00 0.00 N ATOM 450 NH2 ARG A 30 11.909 -17.331 -12.344 1.00 0.00 N ATOM 0 H ARG A 30 9.225 -12.954 -8.097 1.00 0.00 H new ATOM 0 HA ARG A 30 7.640 -14.126 -10.252 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.377 -14.967 -7.427 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.244 -15.871 -8.413 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.110 -15.269 -9.231 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.598 -16.755 -8.456 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.029 -17.199 -10.337 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.533 -15.710 -11.111 1.00 0.00 H new ATOM 0 HE ARG A 30 10.015 -18.241 -11.015 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.180 -14.749 -11.503 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.664 -14.837 -12.458 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.920 -18.346 -12.240 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.646 -16.864 -12.873 1.00 0.00 H new ATOM 464 N TRP A 31 5.400 -13.333 -9.599 1.00 0.00 N ATOM 465 CA TRP A 31 4.058 -12.880 -9.251 1.00 0.00 C ATOM 466 C TRP A 31 3.226 -14.027 -8.687 1.00 0.00 C ATOM 467 O TRP A 31 2.409 -13.831 -7.786 1.00 0.00 O ATOM 468 CB TRP A 31 3.364 -12.286 -10.478 1.00 0.00 C ATOM 469 CG TRP A 31 4.257 -11.403 -11.296 1.00 0.00 C ATOM 470 CD1 TRP A 31 4.424 -11.435 -12.651 1.00 0.00 C ATOM 471 CD2 TRP A 31 5.105 -10.357 -10.810 1.00 0.00 C ATOM 472 NE1 TRP A 31 5.326 -10.473 -13.036 1.00 0.00 N ATOM 473 CE2 TRP A 31 5.758 -9.797 -11.926 1.00 0.00 C ATOM 474 CE3 TRP A 31 5.376 -9.838 -9.541 1.00 0.00 C ATOM 475 CZ2 TRP A 31 6.663 -8.746 -11.808 1.00 0.00 C ATOM 476 CZ3 TRP A 31 6.276 -8.795 -9.426 1.00 0.00 C ATOM 477 CH2 TRP A 31 6.910 -8.257 -10.554 1.00 0.00 C ATOM 0 H TRP A 31 5.527 -13.556 -10.586 1.00 0.00 H new ATOM 0 HA TRP A 31 4.148 -12.110 -8.485 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.994 -13.097 -11.105 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.496 -11.712 -10.153 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.921 -12.116 -13.321 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.626 -10.291 -13.994 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.891 -10.244 -8.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.153 -8.331 -12.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.494 -8.388 -8.450 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.607 -7.441 -10.431 1.00 0.00 H new ATOM 488 N THR A 32 3.439 -15.226 -9.221 1.00 0.00 N ATOM 489 CA THR A 32 2.708 -16.403 -8.771 1.00 0.00 C ATOM 490 C THR A 32 2.996 -16.702 -7.304 1.00 0.00 C ATOM 491 O THR A 32 2.106 -17.107 -6.555 1.00 0.00 O ATOM 492 CB THR A 32 3.064 -17.642 -9.615 1.00 0.00 C ATOM 493 OG1 THR A 32 3.381 -17.247 -10.954 1.00 0.00 O ATOM 494 CG2 THR A 32 1.911 -18.634 -9.632 1.00 0.00 C ATOM 0 H THR A 32 4.112 -15.407 -9.966 1.00 0.00 H new ATOM 0 HA THR A 32 1.648 -16.182 -8.892 1.00 0.00 H new ATOM 0 HB THR A 32 3.931 -18.125 -9.165 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.608 -18.040 -11.484 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.185 -19.500 -10.234 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.692 -18.954 -8.614 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.029 -18.159 -10.061 1.00 0.00 H new ATOM 502 N LYS A 33 4.245 -16.499 -6.898 1.00 0.00 N ATOM 503 CA LYS A 33 4.651 -16.744 -5.519 1.00 0.00 C ATOM 504 C LYS A 33 4.164 -15.627 -4.602 1.00 0.00 C ATOM 505 O LYS A 33 3.574 -15.886 -3.553 1.00 0.00 O ATOM 506 CB LYS A 33 6.174 -16.866 -5.429 1.00 0.00 C ATOM 507 CG LYS A 33 6.740 -18.027 -6.228 1.00 0.00 C ATOM 508 CD LYS A 33 6.640 -19.334 -5.459 1.00 0.00 C ATOM 509 CE LYS A 33 7.839 -19.537 -4.546 1.00 0.00 C ATOM 510 NZ LYS A 33 7.544 -20.497 -3.447 1.00 0.00 N ATOM 0 H LYS A 33 4.994 -16.165 -7.505 1.00 0.00 H new ATOM 0 HA LYS A 33 4.198 -17.680 -5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.626 -15.939 -5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.460 -16.982 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.202 -18.117 -7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.783 -17.827 -6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.725 -19.340 -4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.571 -20.166 -6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.683 -19.903 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.138 -18.579 -4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.827 -20.081 -2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.525 -20.704 -3.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.074 -21.378 -3.604 1.00 0.00 H new ATOM 524 N ILE A 34 4.414 -14.386 -5.004 1.00 0.00 N ATOM 525 CA ILE A 34 3.999 -13.230 -4.219 1.00 0.00 C ATOM 526 C ILE A 34 2.490 -13.229 -3.999 1.00 0.00 C ATOM 527 O ILE A 34 2.018 -13.140 -2.865 1.00 0.00 O ATOM 528 CB ILE A 34 4.409 -11.910 -4.899 1.00 0.00 C ATOM 529 CG1 ILE A 34 5.932 -11.823 -5.016 1.00 0.00 C ATOM 530 CG2 ILE A 34 3.862 -10.722 -4.122 1.00 0.00 C ATOM 531 CD1 ILE A 34 6.402 -10.791 -6.017 1.00 0.00 C ATOM 0 H ILE A 34 4.902 -14.155 -5.869 1.00 0.00 H new ATOM 0 HA ILE A 34 4.504 -13.304 -3.256 1.00 0.00 H new ATOM 0 HB ILE A 34 3.985 -11.888 -5.903 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.351 -11.586 -4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.323 -12.799 -5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.160 -9.797 -4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.774 -10.780 -4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.259 -10.737 -3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.492 -10.784 -6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.013 -11.038 -7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.041 -9.806 -5.721 1.00 0.00 H new ATOM 543 N SER A 35 1.738 -13.329 -5.090 1.00 0.00 N ATOM 544 CA SER A 35 0.282 -13.337 -5.017 1.00 0.00 C ATOM 545 C SER A 35 -0.198 -14.187 -3.845 1.00 0.00 C ATOM 546 O SER A 35 -0.993 -13.736 -3.020 1.00 0.00 O ATOM 547 CB SER A 35 -0.312 -13.868 -6.323 1.00 0.00 C ATOM 548 OG SER A 35 -1.725 -13.756 -6.324 1.00 0.00 O ATOM 0 H SER A 35 2.113 -13.406 -6.035 1.00 0.00 H new ATOM 0 HA SER A 35 -0.055 -12.312 -4.863 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.100 -13.313 -7.166 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.027 -14.911 -6.458 1.00 0.00 H new ATOM 0 HG SER A 35 -2.000 -13.077 -5.673 1.00 0.00 H new ATOM 554 N LYS A 36 0.290 -15.421 -3.777 1.00 0.00 N ATOM 555 CA LYS A 36 -0.086 -16.336 -2.706 1.00 0.00 C ATOM 556 C LYS A 36 0.232 -15.735 -1.340 1.00 0.00 C ATOM 557 O LYS A 36 -0.593 -15.774 -0.426 1.00 0.00 O ATOM 558 CB LYS A 36 0.642 -17.672 -2.869 1.00 0.00 C ATOM 559 CG LYS A 36 0.328 -18.673 -1.770 1.00 0.00 C ATOM 560 CD LYS A 36 0.479 -20.104 -2.260 1.00 0.00 C ATOM 561 CE LYS A 36 -0.752 -20.562 -3.028 1.00 0.00 C ATOM 562 NZ LYS A 36 -1.968 -20.573 -2.169 1.00 0.00 N ATOM 0 H LYS A 36 0.948 -15.811 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.161 -16.505 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.375 -18.107 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.717 -17.491 -2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.993 -18.505 -0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.690 -18.515 -1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.358 -20.180 -2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.646 -20.765 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.915 -19.902 -3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.580 -21.562 -3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.442 -21.495 -2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.695 -20.410 -1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.618 -19.822 -2.477 1.00 0.00 H new ATOM 576 N LEU A 37 1.430 -15.178 -1.209 1.00 0.00 N ATOM 577 CA LEU A 37 1.857 -14.567 0.045 1.00 0.00 C ATOM 578 C LEU A 37 0.925 -13.425 0.439 1.00 0.00 C ATOM 579 O LEU A 37 0.547 -13.293 1.604 1.00 0.00 O ATOM 580 CB LEU A 37 3.291 -14.050 -0.078 1.00 0.00 C ATOM 581 CG LEU A 37 3.945 -13.568 1.218 1.00 0.00 C ATOM 582 CD1 LEU A 37 4.666 -14.714 1.910 1.00 0.00 C ATOM 583 CD2 LEU A 37 4.906 -12.423 0.936 1.00 0.00 C ATOM 0 H LEU A 37 2.124 -15.137 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 37 1.818 -15.329 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.907 -14.844 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.299 -13.227 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 37 3.163 -13.204 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.125 -14.352 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.952 -15.503 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.438 -15.109 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.362 -12.093 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.684 -12.761 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.361 -11.594 0.485 1.00 0.00 H new ATOM 595 N ILE A 38 0.558 -12.604 -0.539 1.00 0.00 N ATOM 596 CA ILE A 38 -0.332 -11.475 -0.294 1.00 0.00 C ATOM 597 C ILE A 38 -1.732 -11.951 0.080 1.00 0.00 C ATOM 598 O ILE A 38 -2.390 -11.361 0.936 1.00 0.00 O ATOM 599 CB ILE A 38 -0.427 -10.556 -1.526 1.00 0.00 C ATOM 600 CG1 ILE A 38 0.972 -10.181 -2.019 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.230 -9.307 -1.195 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.966 -9.370 -3.296 1.00 0.00 C ATOM 0 H ILE A 38 0.863 -12.699 -1.508 1.00 0.00 H new ATOM 0 HA ILE A 38 0.093 -10.912 0.537 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.941 -11.094 -2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.483 -9.614 -1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.548 -11.092 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.288 -8.668 -2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.236 -9.592 -0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.742 -8.765 -0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.991 -9.140 -3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.484 -9.943 -4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.418 -8.442 -3.135 1.00 0.00 H new ATOM 614 N GLY A 39 -2.180 -13.023 -0.566 1.00 0.00 N ATOM 615 CA GLY A 39 -3.498 -13.561 -0.286 1.00 0.00 C ATOM 616 C GLY A 39 -4.607 -12.722 -0.889 1.00 0.00 C ATOM 617 O GLY A 39 -5.328 -13.179 -1.776 1.00 0.00 O ATOM 0 H GLY A 39 -1.653 -13.529 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.563 -14.577 -0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.640 -13.624 0.793 1.00 0.00 H new ATOM 621 N SER A 40 -4.745 -11.491 -0.407 1.00 0.00 N ATOM 622 CA SER A 40 -5.778 -10.588 -0.901 1.00 0.00 C ATOM 623 C SER A 40 -5.615 -10.343 -2.398 1.00 0.00 C ATOM 624 O SER A 40 -6.522 -10.615 -3.185 1.00 0.00 O ATOM 625 CB SER A 40 -5.726 -9.258 -0.147 1.00 0.00 C ATOM 626 OG SER A 40 -6.515 -9.307 1.029 1.00 0.00 O ATOM 0 H SER A 40 -4.155 -11.096 0.325 1.00 0.00 H new ATOM 0 HA SER A 40 -6.747 -11.057 -0.730 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.694 -9.024 0.113 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.081 -8.456 -0.794 1.00 0.00 H new ATOM 0 HG SER A 40 -6.464 -8.446 1.494 1.00 0.00 H new ATOM 632 N ARG A 41 -4.452 -9.828 -2.784 1.00 0.00 N ATOM 633 CA ARG A 41 -4.169 -9.544 -4.186 1.00 0.00 C ATOM 634 C ARG A 41 -3.978 -10.837 -4.974 1.00 0.00 C ATOM 635 O ARG A 41 -3.339 -11.778 -4.500 1.00 0.00 O ATOM 636 CB ARG A 41 -2.920 -8.670 -4.309 1.00 0.00 C ATOM 637 CG ARG A 41 -2.937 -7.752 -5.521 1.00 0.00 C ATOM 638 CD ARG A 41 -3.738 -6.488 -5.252 1.00 0.00 C ATOM 639 NE ARG A 41 -5.177 -6.724 -5.332 1.00 0.00 N ATOM 640 CZ ARG A 41 -6.088 -5.864 -4.892 1.00 0.00 C ATOM 641 NH1 ARG A 41 -5.712 -4.717 -4.343 1.00 0.00 N ATOM 642 NH2 ARG A 41 -7.379 -6.151 -5.000 1.00 0.00 N ATOM 0 H ARG A 41 -3.690 -9.599 -2.145 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.022 -9.007 -4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.819 -8.066 -3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.041 -9.312 -4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.915 -7.486 -5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.365 -8.281 -6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.488 -6.104 -4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.456 -5.720 -5.972 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.500 -7.597 -5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.721 -4.493 -4.258 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.414 -4.058 -4.006 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.672 -7.033 -5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.078 -5.490 -4.662 1.00 0.00 H new ATOM 656 N THR A 42 -4.537 -10.877 -6.179 1.00 0.00 N ATOM 657 CA THR A 42 -4.430 -12.054 -7.032 1.00 0.00 C ATOM 658 C THR A 42 -3.320 -11.887 -8.064 1.00 0.00 C ATOM 659 O THR A 42 -2.995 -10.769 -8.464 1.00 0.00 O ATOM 660 CB THR A 42 -5.756 -12.341 -7.763 1.00 0.00 C ATOM 661 OG1 THR A 42 -6.138 -11.205 -8.548 1.00 0.00 O ATOM 662 CG2 THR A 42 -6.860 -12.672 -6.771 1.00 0.00 C ATOM 0 H THR A 42 -5.069 -10.108 -6.586 1.00 0.00 H new ATOM 0 HA THR A 42 -4.193 -12.895 -6.381 1.00 0.00 H new ATOM 0 HB THR A 42 -5.607 -13.201 -8.416 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.358 -10.457 -7.955 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.786 -12.871 -7.310 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.579 -13.554 -6.195 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.007 -11.829 -6.096 1.00 0.00 H new ATOM 670 N VAL A 43 -2.743 -13.005 -8.491 1.00 0.00 N ATOM 671 CA VAL A 43 -1.670 -12.982 -9.478 1.00 0.00 C ATOM 672 C VAL A 43 -1.867 -11.848 -10.478 1.00 0.00 C ATOM 673 O VAL A 43 -0.920 -11.140 -10.826 1.00 0.00 O ATOM 674 CB VAL A 43 -1.582 -14.316 -10.243 1.00 0.00 C ATOM 675 CG1 VAL A 43 -0.517 -14.241 -11.327 1.00 0.00 C ATOM 676 CG2 VAL A 43 -1.297 -15.461 -9.284 1.00 0.00 C ATOM 0 H VAL A 43 -3.000 -13.938 -8.169 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.741 -12.823 -8.931 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.542 -14.504 -10.723 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.469 -15.192 -11.857 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.768 -13.447 -12.030 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.451 -14.030 -10.872 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.238 -16.396 -9.841 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.350 -15.282 -8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.098 -15.527 -8.548 1.00 0.00 H new ATOM 686 N LEU A 44 -3.102 -11.679 -10.936 1.00 0.00 N ATOM 687 CA LEU A 44 -3.425 -10.629 -11.897 1.00 0.00 C ATOM 688 C LEU A 44 -3.220 -9.248 -11.283 1.00 0.00 C ATOM 689 O LEU A 44 -2.390 -8.468 -11.750 1.00 0.00 O ATOM 690 CB LEU A 44 -4.870 -10.777 -12.377 1.00 0.00 C ATOM 691 CG LEU A 44 -5.253 -12.146 -12.941 1.00 0.00 C ATOM 692 CD1 LEU A 44 -6.739 -12.194 -13.263 1.00 0.00 C ATOM 693 CD2 LEU A 44 -4.427 -12.462 -14.180 1.00 0.00 C ATOM 0 H LEU A 44 -3.897 -12.255 -10.658 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.753 -10.731 -12.749 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.534 -10.551 -11.542 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.056 -10.025 -13.144 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.041 -12.902 -12.184 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.993 -13.176 -13.663 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.314 -12.012 -12.355 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.976 -11.429 -14.002 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.713 -13.440 -14.568 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.607 -11.703 -14.941 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.369 -12.470 -13.919 1.00 0.00 H new ATOM 705 N GLN A 45 -3.981 -8.953 -10.234 1.00 0.00 N ATOM 706 CA GLN A 45 -3.881 -7.666 -9.555 1.00 0.00 C ATOM 707 C GLN A 45 -2.427 -7.327 -9.243 1.00 0.00 C ATOM 708 O GLN A 45 -1.997 -6.185 -9.404 1.00 0.00 O ATOM 709 CB GLN A 45 -4.702 -7.681 -8.265 1.00 0.00 C ATOM 710 CG GLN A 45 -6.164 -7.321 -8.470 1.00 0.00 C ATOM 711 CD GLN A 45 -7.079 -7.998 -7.469 1.00 0.00 C ATOM 712 OE1 GLN A 45 -6.765 -9.070 -6.951 1.00 0.00 O ATOM 713 NE2 GLN A 45 -8.217 -7.375 -7.190 1.00 0.00 N ATOM 0 H GLN A 45 -4.673 -9.587 -9.836 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.279 -6.900 -10.221 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.640 -8.672 -7.816 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.260 -6.982 -7.555 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.282 -6.240 -8.391 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.465 -7.602 -9.479 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.437 -6.488 -7.643 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.872 -7.783 -6.523 1.00 0.00 H new ATOM 722 N VAL A 46 -1.674 -8.327 -8.796 1.00 0.00 N ATOM 723 CA VAL A 46 -0.268 -8.135 -8.461 1.00 0.00 C ATOM 724 C VAL A 46 0.554 -7.816 -9.705 1.00 0.00 C ATOM 725 O VAL A 46 1.302 -6.839 -9.736 1.00 0.00 O ATOM 726 CB VAL A 46 0.321 -9.381 -7.775 1.00 0.00 C ATOM 727 CG1 VAL A 46 1.798 -9.176 -7.471 1.00 0.00 C ATOM 728 CG2 VAL A 46 -0.452 -9.706 -6.506 1.00 0.00 C ATOM 0 H VAL A 46 -2.014 -9.279 -8.657 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.219 -7.293 -7.771 1.00 0.00 H new ATOM 0 HB VAL A 46 0.229 -10.227 -8.456 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.197 -10.067 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.339 -8.995 -8.400 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.918 -8.319 -6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.022 -10.590 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.393 -8.862 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.495 -9.899 -6.755 1.00 0.00 H new ATOM 738 N LYS A 47 0.411 -8.649 -10.731 1.00 0.00 N ATOM 739 CA LYS A 47 1.138 -8.456 -11.980 1.00 0.00 C ATOM 740 C LYS A 47 1.127 -6.989 -12.396 1.00 0.00 C ATOM 741 O LYS A 47 2.176 -6.399 -12.655 1.00 0.00 O ATOM 742 CB LYS A 47 0.526 -9.317 -13.088 1.00 0.00 C ATOM 743 CG LYS A 47 1.054 -10.741 -13.114 1.00 0.00 C ATOM 744 CD LYS A 47 0.211 -11.631 -14.012 1.00 0.00 C ATOM 745 CE LYS A 47 0.561 -11.434 -15.479 1.00 0.00 C ATOM 746 NZ LYS A 47 1.838 -12.109 -15.841 1.00 0.00 N ATOM 0 H LYS A 47 -0.202 -9.464 -10.722 1.00 0.00 H new ATOM 0 HA LYS A 47 2.172 -8.761 -11.820 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.556 -9.342 -12.961 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.723 -8.848 -14.052 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.086 -10.741 -13.465 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.061 -11.146 -12.102 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.363 -12.675 -13.738 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.845 -11.411 -13.856 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.245 -11.825 -16.100 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.640 -10.368 -15.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.973 -12.067 -16.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.630 -11.629 -15.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.804 -13.103 -15.536 1.00 0.00 H new ATOM 760 N SER A 48 -0.066 -6.405 -12.457 1.00 0.00 N ATOM 761 CA SER A 48 -0.214 -5.007 -12.844 1.00 0.00 C ATOM 762 C SER A 48 0.474 -4.089 -11.838 1.00 0.00 C ATOM 763 O SER A 48 1.435 -3.394 -12.170 1.00 0.00 O ATOM 764 CB SER A 48 -1.695 -4.641 -12.956 1.00 0.00 C ATOM 765 OG SER A 48 -2.351 -5.455 -13.912 1.00 0.00 O ATOM 0 H SER A 48 -0.944 -6.879 -12.243 1.00 0.00 H new ATOM 0 HA SER A 48 0.261 -4.872 -13.816 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.176 -4.756 -11.985 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.793 -3.593 -13.238 1.00 0.00 H new ATOM 0 HG SER A 48 -3.296 -5.202 -13.963 1.00 0.00 H new ATOM 771 N TYR A 49 -0.024 -4.093 -10.607 1.00 0.00 N ATOM 772 CA TYR A 49 0.540 -3.260 -9.551 1.00 0.00 C ATOM 773 C TYR A 49 2.061 -3.209 -9.652 1.00 0.00 C ATOM 774 O TYR A 49 2.666 -2.143 -9.541 1.00 0.00 O ATOM 775 CB TYR A 49 0.126 -3.790 -8.178 1.00 0.00 C ATOM 776 CG TYR A 49 0.914 -3.192 -7.035 1.00 0.00 C ATOM 777 CD1 TYR A 49 0.536 -1.984 -6.462 1.00 0.00 C ATOM 778 CD2 TYR A 49 2.038 -3.834 -6.528 1.00 0.00 C ATOM 779 CE1 TYR A 49 1.253 -1.433 -5.417 1.00 0.00 C ATOM 780 CE2 TYR A 49 2.760 -3.291 -5.484 1.00 0.00 C ATOM 781 CZ TYR A 49 2.364 -2.090 -4.932 1.00 0.00 C ATOM 782 OH TYR A 49 3.082 -1.545 -3.892 1.00 0.00 O ATOM 0 H TYR A 49 -0.817 -4.664 -10.315 1.00 0.00 H new ATOM 0 HA TYR A 49 0.152 -2.249 -9.674 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.934 -3.586 -8.024 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.247 -4.873 -8.164 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.333 -1.467 -6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.352 -4.774 -6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.945 -0.493 -4.983 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.630 -3.804 -5.101 1.00 0.00 H new ATOM 0 HH TYR A 49 3.834 -2.133 -3.670 1.00 0.00 H new ATOM 792 N ALA A 50 2.673 -4.370 -9.862 1.00 0.00 N ATOM 793 CA ALA A 50 4.123 -4.459 -9.981 1.00 0.00 C ATOM 794 C ALA A 50 4.689 -3.247 -10.713 1.00 0.00 C ATOM 795 O ALA A 50 5.584 -2.568 -10.209 1.00 0.00 O ATOM 796 CB ALA A 50 4.516 -5.742 -10.697 1.00 0.00 C ATOM 0 H ALA A 50 2.187 -5.262 -9.953 1.00 0.00 H new ATOM 0 HA ALA A 50 4.545 -4.473 -8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.602 -5.795 -10.779 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.152 -6.600 -10.132 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.076 -5.752 -11.694 1.00 0.00 H new ATOM 802 N ARG A 51 4.163 -2.981 -11.904 1.00 0.00 N ATOM 803 CA ARG A 51 4.618 -1.852 -12.706 1.00 0.00 C ATOM 804 C ARG A 51 4.100 -0.536 -12.134 1.00 0.00 C ATOM 805 O ARG A 51 4.709 0.516 -12.325 1.00 0.00 O ATOM 806 CB ARG A 51 4.154 -2.009 -14.155 1.00 0.00 C ATOM 807 CG ARG A 51 2.652 -1.861 -14.333 1.00 0.00 C ATOM 808 CD ARG A 51 2.301 -1.385 -15.734 1.00 0.00 C ATOM 809 NE ARG A 51 1.042 -0.645 -15.762 1.00 0.00 N ATOM 810 CZ ARG A 51 0.518 -0.127 -16.867 1.00 0.00 C ATOM 811 NH1 ARG A 51 1.140 -0.270 -18.030 1.00 0.00 N ATOM 812 NH2 ARG A 51 -0.631 0.534 -16.812 1.00 0.00 N ATOM 0 H ARG A 51 3.421 -3.532 -12.335 1.00 0.00 H new ATOM 0 HA ARG A 51 5.708 -1.835 -12.681 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.659 -1.266 -14.772 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.460 -2.989 -14.521 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.166 -2.817 -14.140 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.266 -1.153 -13.600 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.103 -0.751 -16.113 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.232 -2.244 -16.402 1.00 0.00 H new ATOM 0 HE ARG A 51 0.537 -0.519 -14.885 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.023 -0.779 -18.077 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.735 0.129 -18.877 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.113 0.645 -15.920 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.032 0.931 -17.662 1.00 0.00 H new ATOM 826 N GLN A 52 2.973 -0.603 -11.433 1.00 0.00 N ATOM 827 CA GLN A 52 2.373 0.584 -10.835 1.00 0.00 C ATOM 828 C GLN A 52 3.238 1.116 -9.697 1.00 0.00 C ATOM 829 O GLN A 52 3.300 2.323 -9.463 1.00 0.00 O ATOM 830 CB GLN A 52 0.969 0.267 -10.320 1.00 0.00 C ATOM 831 CG GLN A 52 0.024 1.457 -10.356 1.00 0.00 C ATOM 832 CD GLN A 52 0.084 2.289 -9.091 1.00 0.00 C ATOM 833 OE1 GLN A 52 0.392 1.779 -8.013 1.00 0.00 O ATOM 834 NE2 GLN A 52 -0.211 3.578 -9.214 1.00 0.00 N ATOM 0 H GLN A 52 2.457 -1.467 -11.265 1.00 0.00 H new ATOM 0 HA GLN A 52 2.304 1.353 -11.604 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.546 -0.540 -10.917 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.041 -0.098 -9.296 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.270 2.086 -11.212 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.996 1.102 -10.504 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.461 3.959 -10.126 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.188 4.187 -8.396 1.00 0.00 H new ATOM 843 N TYR A 53 3.903 0.207 -8.992 1.00 0.00 N ATOM 844 CA TYR A 53 4.762 0.585 -7.876 1.00 0.00 C ATOM 845 C TYR A 53 5.933 1.438 -8.354 1.00 0.00 C ATOM 846 O TYR A 53 6.075 2.595 -7.959 1.00 0.00 O ATOM 847 CB TYR A 53 5.284 -0.663 -7.162 1.00 0.00 C ATOM 848 CG TYR A 53 6.275 -0.361 -6.061 1.00 0.00 C ATOM 849 CD1 TYR A 53 5.981 0.570 -5.072 1.00 0.00 C ATOM 850 CD2 TYR A 53 7.505 -1.005 -6.010 1.00 0.00 C ATOM 851 CE1 TYR A 53 6.884 0.850 -4.064 1.00 0.00 C ATOM 852 CE2 TYR A 53 8.413 -0.732 -5.005 1.00 0.00 C ATOM 853 CZ TYR A 53 8.098 0.196 -4.035 1.00 0.00 C ATOM 854 OH TYR A 53 9.000 0.472 -3.033 1.00 0.00 O ATOM 0 H TYR A 53 3.864 -0.796 -9.173 1.00 0.00 H new ATOM 0 HA TYR A 53 4.168 1.174 -7.177 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.440 -1.209 -6.740 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.755 -1.319 -7.894 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.031 1.083 -5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.756 -1.731 -6.769 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.640 1.577 -3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.364 -1.243 -4.979 1.00 0.00 H new ATOM 0 HH TYR A 53 9.804 -0.074 -3.157 1.00 0.00 H new ATOM 864 N PHE A 54 6.770 0.857 -9.208 1.00 0.00 N ATOM 865 CA PHE A 54 7.929 1.562 -9.741 1.00 0.00 C ATOM 866 C PHE A 54 7.507 2.843 -10.455 1.00 0.00 C ATOM 867 O PHE A 54 8.136 3.890 -10.301 1.00 0.00 O ATOM 868 CB PHE A 54 8.703 0.660 -10.704 1.00 0.00 C ATOM 869 CG PHE A 54 9.206 -0.605 -10.068 1.00 0.00 C ATOM 870 CD1 PHE A 54 10.290 -0.579 -9.206 1.00 0.00 C ATOM 871 CD2 PHE A 54 8.594 -1.819 -10.332 1.00 0.00 C ATOM 872 CE1 PHE A 54 10.755 -1.740 -8.618 1.00 0.00 C ATOM 873 CE2 PHE A 54 9.054 -2.984 -9.748 1.00 0.00 C ATOM 874 CZ PHE A 54 10.136 -2.945 -8.891 1.00 0.00 C ATOM 0 H PHE A 54 6.667 -0.100 -9.545 1.00 0.00 H new ATOM 0 HA PHE A 54 8.575 1.829 -8.905 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.059 0.403 -11.545 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.549 1.215 -11.108 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.778 0.360 -8.991 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.748 -1.856 -11.002 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.600 -1.706 -7.947 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.568 -3.924 -9.962 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.498 -3.855 -8.435 1.00 0.00 H new ATOM 884 N LYS A 55 6.436 2.751 -11.237 1.00 0.00 N ATOM 885 CA LYS A 55 5.927 3.901 -11.975 1.00 0.00 C ATOM 886 C LYS A 55 5.894 5.144 -11.092 1.00 0.00 C ATOM 887 O LYS A 55 6.313 6.223 -11.507 1.00 0.00 O ATOM 888 CB LYS A 55 4.524 3.607 -12.513 1.00 0.00 C ATOM 889 CG LYS A 55 3.851 4.812 -13.146 1.00 0.00 C ATOM 890 CD LYS A 55 2.727 4.395 -14.080 1.00 0.00 C ATOM 891 CE LYS A 55 3.244 4.112 -15.483 1.00 0.00 C ATOM 892 NZ LYS A 55 2.228 3.414 -16.318 1.00 0.00 N ATOM 0 H LYS A 55 5.904 1.892 -11.376 1.00 0.00 H new ATOM 0 HA LYS A 55 6.599 4.090 -12.812 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.587 2.807 -13.251 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.901 3.240 -11.698 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.455 5.461 -12.365 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.589 5.393 -13.699 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.236 3.505 -13.686 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.975 5.183 -14.120 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.526 5.050 -15.962 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.145 3.502 -15.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.618 3.239 -17.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.977 2.507 -15.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.377 4.007 -16.398 1.00 0.00 H new ATOM 906 N ASN A 56 5.395 4.983 -9.870 1.00 0.00 N ATOM 907 CA ASN A 56 5.309 6.093 -8.928 1.00 0.00 C ATOM 908 C ASN A 56 6.697 6.626 -8.587 1.00 0.00 C ATOM 909 O ASN A 56 6.972 7.816 -8.741 1.00 0.00 O ATOM 910 CB ASN A 56 4.592 5.650 -7.651 1.00 0.00 C ATOM 911 CG ASN A 56 3.090 5.837 -7.736 1.00 0.00 C ATOM 912 OD1 ASN A 56 2.599 6.674 -8.494 1.00 0.00 O ATOM 913 ND2 ASN A 56 2.351 5.055 -6.957 1.00 0.00 N ATOM 0 H ASN A 56 5.045 4.095 -9.510 1.00 0.00 H new ATOM 0 HA ASN A 56 4.738 6.893 -9.399 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.814 4.600 -7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.979 6.218 -6.805 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.334 5.135 -6.972 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.800 4.375 -6.344 1.00 0.00 H new ATOM 920 N LYS A 57 7.569 5.737 -8.124 1.00 0.00 N ATOM 921 CA LYS A 57 8.930 6.116 -7.762 1.00 0.00 C ATOM 922 C LYS A 57 9.449 7.218 -8.679 1.00 0.00 C ATOM 923 O LYS A 57 9.695 8.341 -8.239 1.00 0.00 O ATOM 924 CB LYS A 57 9.855 4.899 -7.834 1.00 0.00 C ATOM 925 CG LYS A 57 9.883 4.080 -6.556 1.00 0.00 C ATOM 926 CD LYS A 57 8.550 3.395 -6.304 1.00 0.00 C ATOM 927 CE LYS A 57 7.622 4.269 -5.474 1.00 0.00 C ATOM 928 NZ LYS A 57 6.248 3.701 -5.396 1.00 0.00 N ATOM 0 H LYS A 57 7.357 4.748 -7.990 1.00 0.00 H new ATOM 0 HA LYS A 57 8.917 6.495 -6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.537 4.260 -8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.866 5.235 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.672 3.331 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.126 4.727 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.075 3.160 -7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.718 2.449 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.028 4.377 -4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.578 5.268 -5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.591 4.429 -5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.949 3.385 -6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.244 2.892 -4.743 1.00 0.00 H new ATOM 942 N VAL A 58 9.613 6.891 -9.957 1.00 0.00 N ATOM 943 CA VAL A 58 10.101 7.854 -10.937 1.00 0.00 C ATOM 944 C VAL A 58 9.072 8.088 -12.037 1.00 0.00 C ATOM 945 O VAL A 58 8.457 7.146 -12.538 1.00 0.00 O ATOM 946 CB VAL A 58 11.422 7.385 -11.575 1.00 0.00 C ATOM 947 CG1 VAL A 58 11.812 8.298 -12.728 1.00 0.00 C ATOM 948 CG2 VAL A 58 12.527 7.329 -10.532 1.00 0.00 C ATOM 0 H VAL A 58 9.415 5.966 -10.338 1.00 0.00 H new ATOM 0 HA VAL A 58 10.276 8.788 -10.403 1.00 0.00 H new ATOM 0 HB VAL A 58 11.277 6.380 -11.972 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.748 7.951 -13.166 1.00 0.00 H new ATOM 0 HG12 VAL A 58 11.029 8.282 -13.486 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.940 9.316 -12.359 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.453 6.996 -11.001 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.674 8.321 -10.104 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.248 6.631 -9.743 1.00 0.00 H new ATOM 958 N LYS A 59 8.889 9.350 -12.410 1.00 0.00 N ATOM 959 CA LYS A 59 7.936 9.710 -13.453 1.00 0.00 C ATOM 960 C LYS A 59 8.600 9.695 -14.826 1.00 0.00 C ATOM 961 O LYS A 59 9.792 9.978 -14.952 1.00 0.00 O ATOM 962 CB LYS A 59 7.344 11.093 -13.176 1.00 0.00 C ATOM 963 CG LYS A 59 6.307 11.101 -12.066 1.00 0.00 C ATOM 964 CD LYS A 59 6.059 12.506 -11.544 1.00 0.00 C ATOM 965 CE LYS A 59 7.028 12.865 -10.427 1.00 0.00 C ATOM 966 NZ LYS A 59 7.173 14.339 -10.271 1.00 0.00 N ATOM 0 H LYS A 59 9.389 10.141 -12.005 1.00 0.00 H new ATOM 0 HA LYS A 59 7.135 8.971 -13.449 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.150 11.778 -12.913 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.888 11.473 -14.090 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.373 10.680 -12.437 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.643 10.462 -11.249 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.161 13.222 -12.360 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.035 12.584 -11.178 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.678 12.433 -9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.003 12.424 -10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.841 14.542 -9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.532 14.748 -11.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.248 14.757 -10.046 1.00 0.00 H new ATOM 980 N CYS A 60 7.822 9.364 -15.851 1.00 0.00 N ATOM 981 CA CYS A 60 8.336 9.313 -17.215 1.00 0.00 C ATOM 982 C CYS A 60 7.870 10.524 -18.017 1.00 0.00 C ATOM 983 O CYS A 60 8.682 11.309 -18.504 1.00 0.00 O ATOM 984 CB CYS A 60 7.883 8.025 -17.905 1.00 0.00 C ATOM 985 SG CYS A 60 8.893 6.580 -17.504 1.00 0.00 S ATOM 0 H CYS A 60 6.834 9.127 -15.763 1.00 0.00 H new ATOM 0 HA CYS A 60 9.425 9.328 -17.168 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.849 7.821 -17.627 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.899 8.178 -18.984 1.00 0.00 H new ATOM 0 HG CYS A 60 8.431 5.540 -18.132 1.00 0.00 H new ATOM 991 N GLY A 61 6.555 10.669 -18.151 1.00 0.00 N ATOM 992 CA GLY A 61 6.003 11.785 -18.896 1.00 0.00 C ATOM 993 C GLY A 61 5.448 12.868 -17.992 1.00 0.00 C ATOM 994 O GLY A 61 4.708 12.582 -17.050 1.00 0.00 O ATOM 0 H GLY A 61 5.862 10.033 -17.757 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.778 12.210 -19.534 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.212 11.424 -19.553 1.00 0.00 H new ATOM 998 N LEU A 62 5.807 14.115 -18.276 1.00 0.00 N ATOM 999 CA LEU A 62 5.341 15.245 -17.481 1.00 0.00 C ATOM 1000 C LEU A 62 3.897 15.597 -17.827 1.00 0.00 C ATOM 1001 O LEU A 62 3.142 16.069 -16.977 1.00 0.00 O ATOM 1002 CB LEU A 62 6.242 16.460 -17.708 1.00 0.00 C ATOM 1003 CG LEU A 62 6.601 16.767 -19.162 1.00 0.00 C ATOM 1004 CD1 LEU A 62 6.817 18.260 -19.355 1.00 0.00 C ATOM 1005 CD2 LEU A 62 7.839 15.989 -19.582 1.00 0.00 C ATOM 0 H LEU A 62 6.419 14.369 -19.051 1.00 0.00 H new ATOM 0 HA LEU A 62 5.384 14.959 -16.430 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.751 17.336 -17.283 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.166 16.311 -17.150 1.00 0.00 H new ATOM 0 HG LEU A 62 5.769 16.456 -19.794 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.072 18.459 -20.396 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.904 18.796 -19.096 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.630 18.596 -18.712 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.079 16.220 -20.620 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.678 16.268 -18.944 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.648 14.920 -19.483 1.00 0.00 H new ATOM 1017 N ASP A 63 3.521 15.361 -19.079 1.00 0.00 N ATOM 1018 CA ASP A 63 2.167 15.649 -19.537 1.00 0.00 C ATOM 1019 C ASP A 63 1.202 14.548 -19.108 1.00 0.00 C ATOM 1020 O ASP A 63 0.938 13.611 -19.862 1.00 0.00 O ATOM 1021 CB ASP A 63 2.142 15.803 -21.058 1.00 0.00 C ATOM 1022 CG ASP A 63 0.878 16.479 -21.552 1.00 0.00 C ATOM 1023 OD1 ASP A 63 -0.205 15.866 -21.440 1.00 0.00 O ATOM 1024 OD2 ASP A 63 0.971 17.620 -22.049 1.00 0.00 O ATOM 0 H ASP A 63 4.135 14.971 -19.795 1.00 0.00 H new ATOM 0 HA ASP A 63 1.847 16.585 -19.080 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.008 16.383 -21.376 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.229 14.820 -21.521 1.00 0.00 H new ATOM 1029 N LYS A 64 0.678 14.667 -17.893 1.00 0.00 N ATOM 1030 CA LYS A 64 -0.258 13.683 -17.363 1.00 0.00 C ATOM 1031 C LYS A 64 -1.597 14.331 -17.027 1.00 0.00 C ATOM 1032 O LYS A 64 -1.653 15.501 -16.651 1.00 0.00 O ATOM 1033 CB LYS A 64 0.325 13.015 -16.115 1.00 0.00 C ATOM 1034 CG LYS A 64 0.427 13.946 -14.919 1.00 0.00 C ATOM 1035 CD LYS A 64 1.129 13.276 -13.750 1.00 0.00 C ATOM 1036 CE LYS A 64 1.053 14.127 -12.492 1.00 0.00 C ATOM 1037 NZ LYS A 64 1.953 15.311 -12.567 1.00 0.00 N ATOM 0 H LYS A 64 0.886 15.436 -17.256 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.423 12.926 -18.130 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.295 12.160 -15.847 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.317 12.628 -16.350 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.971 14.847 -15.203 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.572 14.259 -14.614 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.675 12.303 -13.561 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.173 13.096 -14.006 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.026 14.460 -12.341 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.322 13.521 -11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.872 15.865 -11.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.936 14.993 -12.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.681 15.903 -13.377 1.00 0.00 H new ATOM 1051 N GLU A 65 -2.673 13.562 -17.165 1.00 0.00 N ATOM 1052 CA GLU A 65 -4.011 14.063 -16.876 1.00 0.00 C ATOM 1053 C GLU A 65 -4.360 13.863 -15.403 1.00 0.00 C ATOM 1054 O GLU A 65 -3.848 12.953 -14.750 1.00 0.00 O ATOM 1055 CB GLU A 65 -5.045 13.358 -17.756 1.00 0.00 C ATOM 1056 CG GLU A 65 -5.259 11.898 -17.395 1.00 0.00 C ATOM 1057 CD GLU A 65 -6.064 11.724 -16.122 1.00 0.00 C ATOM 1058 OE1 GLU A 65 -7.077 12.437 -15.959 1.00 0.00 O ATOM 1059 OE2 GLU A 65 -5.683 10.875 -15.289 1.00 0.00 O ATOM 0 H GLU A 65 -2.644 12.591 -17.475 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.026 15.131 -17.094 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.996 13.886 -17.678 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.728 13.423 -18.797 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.771 11.396 -18.216 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.291 11.411 -17.278 1.00 0.00 H new ATOM 1066 N THR A 66 -5.235 14.720 -14.887 1.00 0.00 N ATOM 1067 CA THR A 66 -5.652 14.640 -13.493 1.00 0.00 C ATOM 1068 C THR A 66 -7.135 14.956 -13.343 1.00 0.00 C ATOM 1069 O THR A 66 -7.722 15.688 -14.141 1.00 0.00 O ATOM 1070 CB THR A 66 -4.841 15.606 -12.608 1.00 0.00 C ATOM 1071 OG1 THR A 66 -4.893 16.929 -13.151 1.00 0.00 O ATOM 1072 CG2 THR A 66 -3.393 15.153 -12.499 1.00 0.00 C ATOM 0 H THR A 66 -5.669 15.478 -15.414 1.00 0.00 H new ATOM 0 HA THR A 66 -5.467 13.617 -13.166 1.00 0.00 H new ATOM 0 HB THR A 66 -5.281 15.606 -11.611 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.377 17.537 -12.582 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.840 15.850 -11.870 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.356 14.157 -12.057 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.944 15.126 -13.492 1.00 0.00 H new ATOM 1080 N PRO A 67 -7.759 14.394 -12.297 1.00 0.00 N ATOM 1081 CA PRO A 67 -9.182 14.603 -12.018 1.00 0.00 C ATOM 1082 C PRO A 67 -9.480 16.025 -11.555 1.00 0.00 C ATOM 1083 O PRO A 67 -8.589 16.736 -11.092 1.00 0.00 O ATOM 1084 CB PRO A 67 -9.474 13.604 -10.896 1.00 0.00 C ATOM 1085 CG PRO A 67 -8.161 13.392 -10.226 1.00 0.00 C ATOM 1086 CD PRO A 67 -7.121 13.511 -11.306 1.00 0.00 C ATOM 0 HA PRO A 67 -9.796 14.459 -12.907 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.215 13.996 -10.200 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.872 12.670 -11.292 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.998 14.133 -9.444 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.119 12.412 -9.750 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.193 13.938 -10.925 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.873 12.540 -11.734 1.00 0.00 H new ATOM 1094 N ASN A 68 -10.738 16.434 -11.684 1.00 0.00 N ATOM 1095 CA ASN A 68 -11.152 17.772 -11.279 1.00 0.00 C ATOM 1096 C ASN A 68 -10.732 18.060 -9.841 1.00 0.00 C ATOM 1097 O ASN A 68 -9.992 19.008 -9.578 1.00 0.00 O ATOM 1098 CB ASN A 68 -12.668 17.923 -11.418 1.00 0.00 C ATOM 1099 CG ASN A 68 -13.245 18.913 -10.425 1.00 0.00 C ATOM 1100 OD1 ASN A 68 -13.541 18.562 -9.282 1.00 0.00 O ATOM 1101 ND2 ASN A 68 -13.407 20.158 -10.857 1.00 0.00 N ATOM 0 H ASN A 68 -11.488 15.858 -12.066 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.660 18.491 -11.934 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.906 18.248 -12.431 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.142 16.952 -11.275 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.790 20.868 -10.233 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.148 20.404 -11.812 1.00 0.00 H new ATOM 1108 N GLN A 69 -11.207 17.234 -8.914 1.00 0.00 N ATOM 1109 CA GLN A 69 -10.880 17.400 -7.503 1.00 0.00 C ATOM 1110 C GLN A 69 -10.576 16.054 -6.853 1.00 0.00 C ATOM 1111 O GLN A 69 -11.098 15.020 -7.268 1.00 0.00 O ATOM 1112 CB GLN A 69 -12.033 18.086 -6.768 1.00 0.00 C ATOM 1113 CG GLN A 69 -11.698 18.471 -5.336 1.00 0.00 C ATOM 1114 CD GLN A 69 -10.901 19.757 -5.248 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -9.696 19.773 -5.503 1.00 0.00 O ATOM 1116 NE2 GLN A 69 -11.571 20.845 -4.887 1.00 0.00 N ATOM 0 H GLN A 69 -11.819 16.443 -9.115 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.990 18.026 -7.433 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.322 18.982 -7.318 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -12.897 17.422 -6.764 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.622 18.581 -4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.132 17.665 -4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.569 20.786 -4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.088 21.740 -4.812 1.00 0.00 H new ATOM 1125 N LYS A 70 -9.728 16.075 -5.830 1.00 0.00 N ATOM 1126 CA LYS A 70 -9.354 14.858 -5.121 1.00 0.00 C ATOM 1127 C LYS A 70 -10.591 14.107 -4.639 1.00 0.00 C ATOM 1128 O LYS A 70 -11.609 14.715 -4.305 1.00 0.00 O ATOM 1129 CB LYS A 70 -8.452 15.193 -3.930 1.00 0.00 C ATOM 1130 CG LYS A 70 -7.249 16.044 -4.299 1.00 0.00 C ATOM 1131 CD LYS A 70 -6.053 15.184 -4.675 1.00 0.00 C ATOM 1132 CE LYS A 70 -6.033 14.879 -6.165 1.00 0.00 C ATOM 1133 NZ LYS A 70 -5.277 15.907 -6.932 1.00 0.00 N ATOM 0 H LYS A 70 -9.287 16.923 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.808 14.217 -5.814 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.040 15.717 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.105 14.265 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.506 16.697 -5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.986 16.688 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.133 15.696 -4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.083 14.251 -4.112 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.583 13.900 -6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.056 14.827 -6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.287 15.663 -7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.721 16.838 -6.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.294 15.940 -6.593 1.00 0.00 H new ATOM 1147 N THR A 71 -10.497 12.781 -4.604 1.00 0.00 N ATOM 1148 CA THR A 71 -11.608 11.947 -4.163 1.00 0.00 C ATOM 1149 C THR A 71 -12.062 12.334 -2.760 1.00 0.00 C ATOM 1150 O THR A 71 -13.256 12.354 -2.467 1.00 0.00 O ATOM 1151 CB THR A 71 -11.229 10.454 -4.174 1.00 0.00 C ATOM 1152 OG1 THR A 71 -12.331 9.666 -3.714 1.00 0.00 O ATOM 1153 CG2 THR A 71 -10.013 10.198 -3.296 1.00 0.00 C ATOM 0 H THR A 71 -9.662 12.262 -4.876 1.00 0.00 H new ATOM 0 HA THR A 71 -12.425 12.112 -4.865 1.00 0.00 H new ATOM 0 HB THR A 71 -10.984 10.171 -5.198 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.083 8.718 -3.725 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.764 9.137 -3.319 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.168 10.777 -3.667 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.235 10.496 -2.271 1.00 0.00 H new ATOM 1161 N GLY A 72 -11.100 12.641 -1.895 1.00 0.00 N ATOM 1162 CA GLY A 72 -11.422 13.024 -0.532 1.00 0.00 C ATOM 1163 C GLY A 72 -10.658 14.252 -0.079 1.00 0.00 C ATOM 1164 O GLY A 72 -11.223 15.145 0.552 1.00 0.00 O ATOM 0 H GLY A 72 -10.104 12.631 -2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.492 13.217 -0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.199 12.194 0.138 1.00 0.00 H new TER 1168 GLY A 72