USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 853 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 158:sc= -0.155 (180deg=-0.799) USER MOD Single : A 4 GLN : amide:sc= -0.016 K(o=-0.016,f=-1.6!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 142:sc= -1.04 (180deg=-2.14) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 12 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 63:sc= -0.248! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -136:sc= -1.44 (180deg=-4.25!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -107:sc= -0.969 (180deg=-2.7!) USER MOD Single : A 43 HIS : no HD1:sc= -0.615 K(o=-0.61,f=-0.064) USER MOD Single : A 44 SER OG : rot 156:sc= 0.856 USER MOD Single : A 46 SER OG : rot 97:sc= 0.128 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.28 K(o=-2.3,f=-2.9!) USER MOD Single : A 63 GLN : amide:sc= -1.41 K(o=-1.4,f=-5.4!) USER MOD Single : A 67 SER OG : rot 70:sc= 1.04 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.917 USER MOD Single : A 76 THR OG1 : rot -35:sc= -1.5! USER MOD Single : A 78 GLN : amide:sc= -3.14! C(o=-3.1!,f=-3.1!) USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= 0.148 (180deg=0.084) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.781 K(o=-0.78,f=-0.014) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 101:sc= 1.16 USER MOD Single : A 93 ASN : amide:sc= -1.46 K(o=-1.5,f=-5.6!) USER MOD Single : A 94 LYS NZ :NH3+ 130:sc= -0.224 (180deg=-1.1) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 72:sc= 0.103 USER MOD Single : A 102 ASN : amide:sc= -1.93! C(o=-1.9!,f=-3.4!) USER MOD Single : B 5 TYR OH : rot -10:sc= -3.29! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.796 -1.744 9.157 1.00 0.24 N ATOM 21 CA VAL A 2 -2.581 -1.683 8.288 1.00 0.19 C ATOM 22 C VAL A 2 -1.737 -2.944 8.496 1.00 0.22 C ATOM 23 O VAL A 2 -1.958 -3.705 9.418 1.00 0.28 O ATOM 24 CB VAL A 2 -1.759 -0.445 8.665 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.498 -0.370 7.795 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.608 0.810 8.446 1.00 0.30 C ATOM 0 HA VAL A 2 -2.879 -1.621 7.241 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.465 -0.512 9.712 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.081 0.512 8.069 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.106 -1.264 7.952 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.784 -0.305 6.745 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.027 1.693 8.713 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.902 0.872 7.398 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.500 0.760 9.071 1.00 0.30 H new ATOM 36 N LYS A 3 -0.767 -3.171 7.648 1.00 0.18 N ATOM 37 CA LYS A 3 0.096 -4.382 7.795 1.00 0.22 C ATOM 38 C LYS A 3 1.460 -4.109 7.155 1.00 0.16 C ATOM 39 O LYS A 3 1.554 -3.790 5.987 1.00 0.13 O ATOM 40 CB LYS A 3 -0.560 -5.584 7.100 1.00 0.26 C ATOM 41 CG LYS A 3 0.076 -6.879 7.611 1.00 0.34 C ATOM 42 CD LYS A 3 -0.574 -8.076 6.915 1.00 0.81 C ATOM 43 CE LYS A 3 0.131 -9.362 7.348 1.00 1.37 C ATOM 44 NZ LYS A 3 0.216 -9.406 8.835 1.00 1.97 N ATOM 0 H LYS A 3 -0.535 -2.569 6.858 1.00 0.18 H new ATOM 0 HA LYS A 3 0.221 -4.607 8.854 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.632 -5.591 7.297 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.434 -5.506 6.020 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.149 -6.871 7.418 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.053 -6.959 8.690 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.633 -8.126 7.168 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.510 -7.960 5.833 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.414 -10.230 6.979 1.00 1.37 H new ATOM 0 HE3 LYS A 3 1.130 -9.405 6.915 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 0.338 -10.391 9.147 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.027 -8.839 9.153 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -0.658 -9.019 9.244 1.00 1.97 H new ATOM 58 N GLN A 4 2.518 -4.230 7.911 1.00 0.18 N ATOM 59 CA GLN A 4 3.877 -3.976 7.347 1.00 0.15 C ATOM 60 C GLN A 4 4.438 -5.276 6.760 1.00 0.13 C ATOM 61 O GLN A 4 4.302 -6.340 7.328 1.00 0.14 O ATOM 62 CB GLN A 4 4.802 -3.467 8.464 1.00 0.20 C ATOM 63 CG GLN A 4 6.271 -3.567 8.022 1.00 0.21 C ATOM 64 CD GLN A 4 7.143 -2.675 8.907 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.665 -2.090 9.859 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.411 -2.548 8.631 1.00 0.98 N ATOM 0 H GLN A 4 2.501 -4.494 8.896 1.00 0.18 H new ATOM 0 HA GLN A 4 3.814 -3.226 6.559 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.557 -2.433 8.706 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.646 -4.052 9.370 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.610 -4.601 8.087 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.367 -3.265 6.979 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.811 -3.040 7.832 1.00 0.98 H new ATOM 0 HE22 GLN A 4 9.003 -1.957 9.214 1.00 0.98 H new ATOM 75 N ILE A 5 5.077 -5.182 5.623 1.00 0.10 N ATOM 76 CA ILE A 5 5.673 -6.389 4.969 1.00 0.10 C ATOM 77 C ILE A 5 7.196 -6.306 5.105 1.00 0.10 C ATOM 78 O ILE A 5 7.837 -5.511 4.446 1.00 0.11 O ATOM 79 CB ILE A 5 5.324 -6.381 3.479 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.828 -6.068 3.273 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.705 -7.720 2.825 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.924 -6.970 4.136 1.00 0.19 C ATOM 0 H ILE A 5 5.214 -4.310 5.112 1.00 0.10 H new ATOM 0 HA ILE A 5 5.288 -7.295 5.437 1.00 0.10 H new ATOM 0 HB ILE A 5 5.902 -5.594 2.994 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.639 -5.023 3.520 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.572 -6.198 2.222 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.449 -7.694 1.766 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.777 -7.887 2.935 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.160 -8.530 3.310 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.879 -6.714 3.959 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.092 -8.014 3.871 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.160 -6.821 5.190 1.00 0.19 H new ATOM 94 N GLU A 6 7.784 -7.108 5.949 1.00 0.11 N ATOM 95 CA GLU A 6 9.270 -7.061 6.119 1.00 0.14 C ATOM 96 C GLU A 6 9.914 -8.199 5.325 1.00 0.14 C ATOM 97 O GLU A 6 11.121 -8.285 5.214 1.00 0.17 O ATOM 98 CB GLU A 6 9.610 -7.221 7.597 1.00 0.18 C ATOM 99 CG GLU A 6 8.722 -6.300 8.432 1.00 0.31 C ATOM 100 CD GLU A 6 9.155 -6.359 9.898 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.342 -6.220 10.150 1.00 1.97 O ATOM 102 OE2 GLU A 6 8.295 -6.541 10.743 1.00 1.96 O ATOM 0 H GLU A 6 7.303 -7.795 6.530 1.00 0.11 H new ATOM 0 HA GLU A 6 9.649 -6.106 5.754 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.466 -8.257 7.903 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.660 -6.982 7.767 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.793 -5.277 8.062 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.679 -6.601 8.338 1.00 0.31 H new ATOM 109 N SER A 7 9.119 -9.076 4.768 1.00 0.13 N ATOM 110 CA SER A 7 9.691 -10.207 3.980 1.00 0.15 C ATOM 111 C SER A 7 8.683 -10.656 2.921 1.00 0.14 C ATOM 112 O SER A 7 7.488 -10.513 3.083 1.00 0.12 O ATOM 113 CB SER A 7 10.007 -11.367 4.918 1.00 0.20 C ATOM 114 OG SER A 7 8.918 -11.562 5.811 1.00 0.23 O ATOM 0 H SER A 7 8.101 -9.058 4.825 1.00 0.13 H new ATOM 0 HA SER A 7 10.607 -9.882 3.486 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.187 -12.275 4.343 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.918 -11.158 5.478 1.00 0.20 H new ATOM 0 HG SER A 7 9.119 -12.308 6.414 1.00 0.23 H new ATOM 120 N LYS A 8 9.162 -11.195 1.833 1.00 0.15 N ATOM 121 CA LYS A 8 8.243 -11.652 0.754 1.00 0.14 C ATOM 122 C LYS A 8 7.167 -12.574 1.339 1.00 0.14 C ATOM 123 O LYS A 8 6.069 -12.665 0.827 1.00 0.13 O ATOM 124 CB LYS A 8 9.049 -12.415 -0.302 1.00 0.17 C ATOM 125 CG LYS A 8 8.229 -12.536 -1.589 1.00 0.21 C ATOM 126 CD LYS A 8 8.992 -13.390 -2.604 1.00 0.22 C ATOM 127 CE LYS A 8 8.319 -13.280 -3.973 1.00 1.06 C ATOM 128 NZ LYS A 8 8.406 -11.873 -4.457 1.00 1.90 N ATOM 0 H LYS A 8 10.154 -11.339 1.645 1.00 0.15 H new ATOM 0 HA LYS A 8 7.761 -10.787 0.299 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.986 -11.896 -0.504 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.308 -13.406 0.070 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.260 -12.987 -1.374 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.035 -11.547 -2.003 1.00 0.21 H new ATOM 0 HD2 LYS A 8 10.028 -13.058 -2.669 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.011 -14.430 -2.279 1.00 0.22 H new ATOM 0 HE2 LYS A 8 8.803 -13.951 -4.683 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.276 -13.588 -3.903 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.576 -11.869 -5.483 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 7.514 -11.379 -4.252 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 9.189 -11.388 -3.975 1.00 1.90 H new ATOM 142 N THR A 9 7.480 -13.264 2.401 1.00 0.16 N ATOM 143 CA THR A 9 6.482 -14.188 3.013 1.00 0.18 C ATOM 144 C THR A 9 5.237 -13.409 3.451 1.00 0.16 C ATOM 145 O THR A 9 4.120 -13.823 3.219 1.00 0.17 O ATOM 146 CB THR A 9 7.110 -14.875 4.223 1.00 0.21 C ATOM 147 OG1 THR A 9 8.438 -15.271 3.906 1.00 0.24 O ATOM 148 CG2 THR A 9 6.289 -16.107 4.611 1.00 0.25 C ATOM 0 H THR A 9 8.384 -13.228 2.872 1.00 0.16 H new ATOM 0 HA THR A 9 6.186 -14.935 2.277 1.00 0.18 H new ATOM 0 HB THR A 9 7.125 -14.178 5.061 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.843 -15.711 4.683 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.745 -16.591 5.475 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.272 -15.803 4.860 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.265 -16.806 3.775 1.00 0.25 H new ATOM 156 N ALA A 10 5.423 -12.287 4.089 1.00 0.16 N ATOM 157 CA ALA A 10 4.254 -11.484 4.553 1.00 0.17 C ATOM 158 C ALA A 10 3.524 -10.875 3.353 1.00 0.15 C ATOM 159 O ALA A 10 2.347 -10.582 3.416 1.00 0.17 O ATOM 160 CB ALA A 10 4.740 -10.363 5.471 1.00 0.20 C ATOM 0 H ALA A 10 6.336 -11.890 4.310 1.00 0.16 H new ATOM 0 HA ALA A 10 3.568 -12.135 5.095 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.887 -9.775 5.811 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.250 -10.794 6.333 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.430 -9.719 4.925 1.00 0.20 H new ATOM 166 N PHE A 11 4.212 -10.671 2.264 1.00 0.12 N ATOM 167 CA PHE A 11 3.552 -10.068 1.071 1.00 0.11 C ATOM 168 C PHE A 11 2.389 -10.943 0.614 1.00 0.13 C ATOM 169 O PHE A 11 1.243 -10.566 0.729 1.00 0.16 O ATOM 170 CB PHE A 11 4.567 -9.935 -0.068 1.00 0.10 C ATOM 171 CG PHE A 11 3.898 -9.318 -1.276 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.495 -7.968 -1.242 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.687 -10.085 -2.440 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.881 -7.386 -2.367 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.071 -9.502 -3.566 1.00 0.18 C ATOM 176 CZ PHE A 11 2.668 -8.153 -3.529 1.00 0.21 C ATOM 0 H PHE A 11 5.200 -10.895 2.148 1.00 0.12 H new ATOM 0 HA PHE A 11 3.172 -9.082 1.340 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.407 -9.317 0.250 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.971 -10.914 -0.324 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.658 -7.379 -0.351 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.997 -11.119 -2.469 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.573 -6.351 -2.339 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.908 -10.090 -4.457 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.196 -7.707 -4.392 1.00 0.21 H new ATOM 186 N GLN A 12 2.671 -12.101 0.088 1.00 0.15 N ATOM 187 CA GLN A 12 1.572 -12.988 -0.388 1.00 0.19 C ATOM 188 C GLN A 12 0.585 -13.246 0.750 1.00 0.17 C ATOM 189 O GLN A 12 -0.614 -13.251 0.554 1.00 0.16 O ATOM 190 CB GLN A 12 2.160 -14.317 -0.866 1.00 0.24 C ATOM 191 CG GLN A 12 3.085 -14.067 -2.058 1.00 1.21 C ATOM 192 CD GLN A 12 3.704 -15.390 -2.512 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.663 -15.726 -3.679 1.00 2.35 O ATOM 194 NE2 GLN A 12 4.280 -16.163 -1.632 1.00 2.47 N ATOM 0 H GLN A 12 3.613 -12.472 -0.033 1.00 0.15 H new ATOM 0 HA GLN A 12 1.050 -12.503 -1.213 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.713 -14.794 -0.057 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.359 -15.000 -1.151 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.525 -13.615 -2.877 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.869 -13.363 -1.781 1.00 1.21 H new ATOM 0 HE21 GLN A 12 4.315 -15.882 -0.652 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.695 -17.048 -1.924 1.00 2.47 H new ATOM 203 N GLU A 13 1.076 -13.465 1.936 1.00 0.19 N ATOM 204 CA GLU A 13 0.166 -13.725 3.080 1.00 0.20 C ATOM 205 C GLU A 13 -0.784 -12.540 3.268 1.00 0.18 C ATOM 206 O GLU A 13 -1.948 -12.711 3.575 1.00 0.19 O ATOM 207 CB GLU A 13 0.999 -13.918 4.345 1.00 0.25 C ATOM 208 CG GLU A 13 1.839 -15.194 4.229 1.00 0.30 C ATOM 209 CD GLU A 13 0.957 -16.419 4.485 1.00 1.29 C ATOM 210 OE1 GLU A 13 0.223 -16.402 5.459 1.00 2.10 O ATOM 211 OE2 GLU A 13 1.031 -17.352 3.702 1.00 2.03 O ATOM 0 H GLU A 13 2.071 -13.475 2.161 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.420 -14.622 2.883 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.650 -13.057 4.497 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.345 -13.981 5.215 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.286 -15.257 3.237 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.659 -15.168 4.947 1.00 0.30 H new ATOM 218 N ALA A 14 -0.302 -11.339 3.089 1.00 0.18 N ATOM 219 CA ALA A 14 -1.188 -10.153 3.260 1.00 0.18 C ATOM 220 C ALA A 14 -2.342 -10.232 2.251 1.00 0.18 C ATOM 221 O ALA A 14 -3.492 -10.024 2.586 1.00 0.19 O ATOM 222 CB ALA A 14 -0.377 -8.880 3.017 1.00 0.20 C ATOM 0 H ALA A 14 0.663 -11.129 2.833 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.593 -10.137 4.272 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -1.021 -8.009 3.141 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.444 -8.829 3.733 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.025 -8.893 2.004 1.00 0.20 H new ATOM 228 N LEU A 15 -2.037 -10.534 1.018 1.00 0.17 N ATOM 229 CA LEU A 15 -3.101 -10.635 -0.030 1.00 0.18 C ATOM 230 C LEU A 15 -4.052 -11.790 0.304 1.00 0.18 C ATOM 231 O LEU A 15 -5.256 -11.656 0.216 1.00 0.18 O ATOM 232 CB LEU A 15 -2.452 -10.884 -1.398 1.00 0.19 C ATOM 233 CG LEU A 15 -1.188 -10.027 -1.544 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.609 -10.216 -2.948 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.538 -8.551 -1.336 1.00 0.62 C ATOM 0 H LEU A 15 -1.090 -10.717 0.686 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.665 -9.703 -0.059 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.200 -11.939 -1.503 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.158 -10.644 -2.193 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.455 -10.333 -0.798 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.290 -9.608 -3.056 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.358 -11.266 -3.100 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.346 -9.909 -3.690 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.638 -7.945 -1.440 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.271 -8.242 -2.081 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.954 -8.413 -0.338 1.00 0.62 H new ATOM 247 N ASP A 16 -3.522 -12.922 0.678 1.00 0.19 N ATOM 248 CA ASP A 16 -4.402 -14.081 1.007 1.00 0.21 C ATOM 249 C ASP A 16 -5.264 -13.746 2.226 1.00 0.20 C ATOM 250 O ASP A 16 -6.432 -14.077 2.281 1.00 0.20 O ATOM 251 CB ASP A 16 -3.537 -15.307 1.311 1.00 0.24 C ATOM 252 CG ASP A 16 -4.434 -16.480 1.710 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.440 -16.684 1.049 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.100 -17.157 2.668 1.00 1.09 O ATOM 0 H ASP A 16 -2.521 -13.095 0.770 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.051 -14.295 0.157 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.943 -15.571 0.436 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.837 -15.081 2.116 1.00 0.24 H new ATOM 259 N ALA A 17 -4.700 -13.092 3.205 1.00 0.22 N ATOM 260 CA ALA A 17 -5.491 -12.741 4.419 1.00 0.24 C ATOM 261 C ALA A 17 -6.350 -11.504 4.137 1.00 0.21 C ATOM 262 O ALA A 17 -7.255 -11.183 4.883 1.00 0.22 O ATOM 263 CB ALA A 17 -4.536 -12.443 5.577 1.00 0.30 C ATOM 0 H ALA A 17 -3.727 -12.786 3.217 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.139 -13.577 4.683 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.112 -12.186 6.466 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.926 -13.323 5.781 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.889 -11.607 5.309 1.00 0.30 H new ATOM 269 N ALA A 18 -6.075 -10.806 3.069 1.00 0.21 N ATOM 270 CA ALA A 18 -6.877 -9.590 2.747 1.00 0.22 C ATOM 271 C ALA A 18 -8.301 -9.996 2.356 1.00 0.21 C ATOM 272 O ALA A 18 -9.164 -9.162 2.173 1.00 0.24 O ATOM 273 CB ALA A 18 -6.223 -8.840 1.585 1.00 0.23 C ATOM 0 H ALA A 18 -5.331 -11.024 2.406 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.916 -8.943 3.623 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.809 -7.952 1.350 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.212 -8.544 1.866 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.181 -9.489 0.710 1.00 0.23 H new ATOM 279 N GLY A 19 -8.553 -11.270 2.226 1.00 0.22 N ATOM 280 CA GLY A 19 -9.922 -11.723 1.846 1.00 0.24 C ATOM 281 C GLY A 19 -10.203 -11.341 0.392 1.00 0.20 C ATOM 282 O GLY A 19 -9.602 -11.869 -0.523 1.00 0.28 O ATOM 0 H GLY A 19 -7.872 -12.016 2.366 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -10.007 -12.802 1.972 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.663 -11.266 2.502 1.00 0.24 H new ATOM 286 N ASP A 20 -11.112 -10.424 0.172 1.00 0.13 N ATOM 287 CA ASP A 20 -11.442 -9.998 -1.225 1.00 0.18 C ATOM 288 C ASP A 20 -11.600 -8.475 -1.265 1.00 0.15 C ATOM 289 O ASP A 20 -11.942 -7.905 -2.282 1.00 0.22 O ATOM 290 CB ASP A 20 -12.753 -10.660 -1.663 1.00 0.26 C ATOM 291 CG ASP A 20 -12.639 -12.177 -1.499 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.571 -12.703 -1.763 1.00 2.21 O ATOM 293 OD2 ASP A 20 -13.622 -12.786 -1.112 1.00 2.19 O ATOM 0 H ASP A 20 -11.643 -9.950 0.903 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.641 -10.300 -1.899 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.582 -10.280 -1.065 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.969 -10.411 -2.702 1.00 0.26 H new ATOM 298 N LYS A 21 -11.349 -7.812 -0.166 1.00 0.12 N ATOM 299 CA LYS A 21 -11.479 -6.328 -0.145 1.00 0.19 C ATOM 300 C LYS A 21 -10.343 -5.714 -0.960 1.00 0.15 C ATOM 301 O LYS A 21 -9.384 -6.377 -1.303 1.00 0.15 O ATOM 302 CB LYS A 21 -11.403 -5.836 1.303 1.00 0.27 C ATOM 303 CG LYS A 21 -12.758 -6.043 1.986 1.00 0.29 C ATOM 304 CD LYS A 21 -12.588 -5.940 3.501 1.00 0.30 C ATOM 305 CE LYS A 21 -13.962 -5.808 4.160 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.834 -6.027 5.630 1.00 1.90 N ATOM 0 H LYS A 21 -11.060 -8.235 0.716 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.435 -6.032 -0.577 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.626 -6.378 1.842 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.130 -4.781 1.326 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.470 -5.295 1.638 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.165 -7.019 1.721 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.074 -6.823 3.881 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.969 -5.078 3.751 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.377 -4.819 3.964 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.653 -6.534 3.733 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.769 -5.937 6.077 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.456 -6.979 5.807 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.188 -5.318 6.032 1.00 1.90 H new ATOM 320 N LEU A 22 -10.441 -4.455 -1.280 1.00 0.13 N ATOM 321 CA LEU A 22 -9.366 -3.819 -2.079 1.00 0.11 C ATOM 322 C LEU A 22 -8.059 -3.855 -1.265 1.00 0.10 C ATOM 323 O LEU A 22 -8.079 -4.022 -0.062 1.00 0.11 O ATOM 324 CB LEU A 22 -9.767 -2.356 -2.395 1.00 0.12 C ATOM 325 CG LEU A 22 -9.445 -1.976 -3.854 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.729 -0.479 -4.051 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.970 -2.261 -4.180 1.00 0.11 C ATOM 0 H LEU A 22 -11.216 -3.844 -1.023 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.219 -4.354 -3.017 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.833 -2.224 -2.212 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.242 -1.681 -1.719 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.067 -2.573 -4.521 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.505 -0.198 -5.080 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.779 -0.277 -3.841 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.105 0.102 -3.372 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.766 -1.985 -5.215 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.331 -1.678 -3.516 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.765 -3.322 -4.040 1.00 0.11 H new ATOM 339 N VAL A 23 -6.926 -3.693 -1.902 1.00 0.08 N ATOM 340 CA VAL A 23 -5.632 -3.715 -1.159 1.00 0.09 C ATOM 341 C VAL A 23 -4.666 -2.707 -1.786 1.00 0.08 C ATOM 342 O VAL A 23 -4.121 -2.938 -2.848 1.00 0.09 O ATOM 343 CB VAL A 23 -5.021 -5.115 -1.251 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.865 -5.236 -0.255 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.088 -6.160 -0.924 1.00 0.10 C ATOM 0 H VAL A 23 -6.843 -3.546 -2.908 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.808 -3.455 -0.115 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.647 -5.281 -2.261 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.431 -6.233 -0.321 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.103 -4.492 -0.489 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.237 -5.069 0.756 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.653 -7.157 -0.990 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.463 -5.993 0.086 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.910 -6.075 -1.635 1.00 0.10 H new ATOM 355 N VAL A 24 -4.434 -1.596 -1.127 1.00 0.08 N ATOM 356 CA VAL A 24 -3.484 -0.576 -1.669 1.00 0.08 C ATOM 357 C VAL A 24 -2.172 -0.692 -0.897 1.00 0.08 C ATOM 358 O VAL A 24 -2.160 -0.779 0.315 1.00 0.08 O ATOM 359 CB VAL A 24 -4.071 0.830 -1.506 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.330 1.810 -2.422 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.553 0.811 -1.881 1.00 0.09 C ATOM 0 H VAL A 24 -4.864 -1.352 -0.235 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.311 -0.750 -2.731 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.959 1.147 -0.469 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.751 2.808 -2.303 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.273 1.828 -2.157 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.439 1.492 -3.459 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.971 1.811 -1.765 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.662 0.490 -2.917 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.085 0.118 -1.229 1.00 0.09 H new ATOM 371 N VAL A 25 -1.069 -0.722 -1.595 1.00 0.09 N ATOM 372 CA VAL A 25 0.262 -0.864 -0.927 1.00 0.09 C ATOM 373 C VAL A 25 1.046 0.440 -1.043 1.00 0.10 C ATOM 374 O VAL A 25 1.051 1.082 -2.075 1.00 0.17 O ATOM 375 CB VAL A 25 1.042 -1.973 -1.629 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.239 -2.390 -0.772 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.126 -3.178 -1.854 1.00 0.09 C ATOM 0 H VAL A 25 -1.031 -0.654 -2.612 1.00 0.09 H new ATOM 0 HA VAL A 25 0.117 -1.103 0.127 1.00 0.09 H new ATOM 0 HB VAL A 25 1.402 -1.606 -2.590 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.791 -3.182 -1.279 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.893 -1.532 -0.619 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.886 -2.754 0.193 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.683 -3.970 -2.355 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.238 -3.543 -0.893 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.720 -2.881 -2.474 1.00 0.09 H new ATOM 387 N ASP A 26 1.720 0.823 0.008 1.00 0.08 N ATOM 388 CA ASP A 26 2.529 2.077 -0.015 1.00 0.08 C ATOM 389 C ASP A 26 4.013 1.710 -0.006 1.00 0.08 C ATOM 390 O ASP A 26 4.574 1.379 1.020 1.00 0.09 O ATOM 391 CB ASP A 26 2.203 2.917 1.224 1.00 0.09 C ATOM 392 CG ASP A 26 3.163 4.106 1.309 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.478 4.663 0.270 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.570 4.436 2.411 1.00 0.93 O ATOM 0 H ASP A 26 1.745 0.315 0.892 1.00 0.08 H new ATOM 0 HA ASP A 26 2.296 2.652 -0.911 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.173 3.271 1.174 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.286 2.305 2.122 1.00 0.09 H new ATOM 399 N PHE A 27 4.659 1.774 -1.137 1.00 0.08 N ATOM 400 CA PHE A 27 6.107 1.444 -1.187 1.00 0.09 C ATOM 401 C PHE A 27 6.882 2.709 -0.848 1.00 0.11 C ATOM 402 O PHE A 27 7.379 3.397 -1.721 1.00 0.13 O ATOM 403 CB PHE A 27 6.475 1.000 -2.600 1.00 0.10 C ATOM 404 CG PHE A 27 6.057 -0.434 -2.828 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.713 -0.746 -3.114 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.019 -1.460 -2.770 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.335 -2.087 -3.339 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.639 -2.798 -2.996 1.00 0.21 C ATOM 409 CZ PHE A 27 5.297 -3.109 -3.279 1.00 0.23 C ATOM 0 H PHE A 27 4.244 2.041 -2.030 1.00 0.08 H new ATOM 0 HA PHE A 27 6.342 0.644 -0.485 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.989 1.647 -3.330 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.550 1.100 -2.751 1.00 0.10 H new ATOM 0 HD1 PHE A 27 3.973 0.040 -3.161 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.050 -1.221 -2.552 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.305 -2.328 -3.558 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.378 -3.584 -2.952 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.006 -4.135 -3.450 1.00 0.23 H new ATOM 419 N SER A 28 6.969 3.031 0.418 1.00 0.11 N ATOM 420 CA SER A 28 7.693 4.265 0.850 1.00 0.12 C ATOM 421 C SER A 28 8.938 3.881 1.643 1.00 0.10 C ATOM 422 O SER A 28 8.970 2.872 2.319 1.00 0.11 O ATOM 423 CB SER A 28 6.775 5.098 1.742 1.00 0.17 C ATOM 424 OG SER A 28 5.710 5.626 0.961 1.00 1.03 O ATOM 0 H SER A 28 6.565 2.485 1.179 1.00 0.11 H new ATOM 0 HA SER A 28 7.984 4.839 -0.030 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.378 4.483 2.550 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.337 5.909 2.205 1.00 0.17 H new ATOM 0 HG SER A 28 5.171 4.890 0.603 1.00 1.03 H new ATOM 430 N ALA A 29 9.963 4.687 1.579 1.00 0.10 N ATOM 431 CA ALA A 29 11.206 4.380 2.342 1.00 0.15 C ATOM 432 C ALA A 29 11.127 5.069 3.710 1.00 0.18 C ATOM 433 O ALA A 29 10.858 6.250 3.806 1.00 0.26 O ATOM 434 CB ALA A 29 12.422 4.888 1.549 1.00 0.19 C ATOM 0 H ALA A 29 9.993 5.546 1.030 1.00 0.10 H new ATOM 0 HA ALA A 29 11.309 3.305 2.490 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.335 4.667 2.102 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.456 4.393 0.579 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.338 5.965 1.404 1.00 0.19 H new ATOM 440 N THR A 30 11.347 4.336 4.766 1.00 0.18 N ATOM 441 CA THR A 30 11.270 4.939 6.127 1.00 0.23 C ATOM 442 C THR A 30 12.393 5.964 6.317 1.00 0.26 C ATOM 443 O THR A 30 12.284 6.872 7.118 1.00 0.31 O ATOM 444 CB THR A 30 11.400 3.836 7.180 1.00 0.26 C ATOM 445 OG1 THR A 30 11.176 4.387 8.469 1.00 0.32 O ATOM 446 CG2 THR A 30 12.801 3.224 7.122 1.00 0.28 C ATOM 0 H THR A 30 11.577 3.343 4.745 1.00 0.18 H new ATOM 0 HA THR A 30 10.310 5.443 6.239 1.00 0.23 H new ATOM 0 HB THR A 30 10.662 3.059 6.980 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.257 3.682 9.145 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.887 2.440 7.874 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.972 2.799 6.133 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.544 3.997 7.318 1.00 0.28 H new ATOM 454 N TRP A 31 13.475 5.827 5.597 1.00 0.26 N ATOM 455 CA TRP A 31 14.606 6.793 5.750 1.00 0.32 C ATOM 456 C TRP A 31 14.401 7.989 4.818 1.00 0.32 C ATOM 457 O TRP A 31 15.055 9.006 4.942 1.00 0.36 O ATOM 458 CB TRP A 31 15.918 6.089 5.391 1.00 0.34 C ATOM 459 CG TRP A 31 15.955 5.796 3.924 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.570 4.633 3.350 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.391 6.664 2.842 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.744 4.730 1.980 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.247 5.963 1.615 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.896 7.985 2.805 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.593 6.552 0.389 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.246 8.582 1.575 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.094 7.865 0.369 1.00 0.40 C ATOM 0 H TRP A 31 13.626 5.089 4.909 1.00 0.26 H new ATOM 0 HA TRP A 31 14.643 7.146 6.781 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.765 6.717 5.666 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.011 5.163 5.958 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.189 3.770 3.875 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.527 3.982 1.321 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.014 8.540 3.724 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.475 6.001 -0.532 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.631 9.591 1.557 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.363 8.326 -0.570 1.00 0.40 H new ATOM 478 N CYS A 32 13.508 7.870 3.875 1.00 0.28 N ATOM 479 CA CYS A 32 13.267 8.989 2.918 1.00 0.30 C ATOM 480 C CYS A 32 12.087 9.837 3.409 1.00 0.31 C ATOM 481 O CYS A 32 11.009 9.340 3.669 1.00 0.29 O ATOM 482 CB CYS A 32 12.970 8.385 1.539 1.00 0.28 C ATOM 483 SG CYS A 32 13.517 9.515 0.236 1.00 0.32 S ATOM 0 H CYS A 32 12.931 7.042 3.724 1.00 0.28 H new ATOM 0 HA CYS A 32 14.143 9.634 2.849 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.477 7.426 1.436 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.902 8.193 1.440 1.00 0.28 H new ATOM 488 N GLY A 33 12.297 11.116 3.544 1.00 0.34 N ATOM 489 CA GLY A 33 11.216 12.023 4.020 1.00 0.36 C ATOM 490 C GLY A 33 10.080 12.136 2.986 1.00 0.35 C ATOM 491 O GLY A 33 8.936 11.928 3.329 1.00 0.33 O ATOM 0 H GLY A 33 13.184 11.578 3.342 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.816 11.651 4.963 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.630 13.012 4.218 1.00 0.36 H new ATOM 495 N PRO A 34 10.413 12.489 1.758 1.00 0.37 N ATOM 496 CA PRO A 34 9.401 12.667 0.694 1.00 0.38 C ATOM 497 C PRO A 34 8.443 11.472 0.646 1.00 0.35 C ATOM 498 O PRO A 34 7.278 11.611 0.328 1.00 0.36 O ATOM 499 CB PRO A 34 10.226 12.802 -0.608 1.00 0.42 C ATOM 500 CG PRO A 34 11.703 13.040 -0.185 1.00 0.44 C ATOM 501 CD PRO A 34 11.807 12.721 1.322 1.00 0.40 C ATOM 0 HA PRO A 34 8.767 13.538 0.858 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.139 11.901 -1.215 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.859 13.631 -1.213 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.375 12.402 -0.760 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.997 14.071 -0.381 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.428 11.842 1.498 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.260 13.547 1.870 1.00 0.40 H new ATOM 509 N ALA A 35 8.916 10.305 0.957 1.00 0.33 N ATOM 510 CA ALA A 35 8.021 9.122 0.924 1.00 0.32 C ATOM 511 C ALA A 35 7.130 9.134 2.170 1.00 0.39 C ATOM 512 O ALA A 35 5.921 9.214 2.085 1.00 0.81 O ATOM 513 CB ALA A 35 8.875 7.848 0.890 1.00 0.36 C ATOM 0 H ALA A 35 9.880 10.118 1.232 1.00 0.33 H new ATOM 0 HA ALA A 35 7.390 9.150 0.036 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.224 6.974 0.866 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.505 7.856 0.001 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.504 7.807 1.780 1.00 0.36 H new ATOM 519 N LYS A 36 7.728 9.058 3.324 1.00 0.30 N ATOM 520 CA LYS A 36 6.938 9.070 4.587 1.00 0.28 C ATOM 521 C LYS A 36 6.129 10.368 4.688 1.00 0.24 C ATOM 522 O LYS A 36 5.196 10.467 5.460 1.00 0.25 O ATOM 523 CB LYS A 36 7.903 8.981 5.775 1.00 0.35 C ATOM 524 CG LYS A 36 7.123 9.159 7.086 1.00 0.38 C ATOM 525 CD LYS A 36 7.990 8.735 8.283 1.00 0.49 C ATOM 526 CE LYS A 36 9.092 9.771 8.538 1.00 1.22 C ATOM 527 NZ LYS A 36 10.189 9.587 7.546 1.00 1.92 N ATOM 0 H LYS A 36 8.738 8.988 3.449 1.00 0.30 H new ATOM 0 HA LYS A 36 6.252 8.223 4.595 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.413 8.018 5.771 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.672 9.749 5.690 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.820 10.200 7.198 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.211 8.562 7.059 1.00 0.38 H new ATOM 0 HD2 LYS A 36 7.368 8.630 9.172 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.437 7.760 8.090 1.00 0.49 H new ATOM 0 HE2 LYS A 36 8.683 10.778 8.461 1.00 1.22 H new ATOM 0 HE3 LYS A 36 9.481 9.662 9.550 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 11.108 9.646 8.030 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 10.095 8.655 7.094 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 10.130 10.331 6.822 1.00 1.92 H new ATOM 541 N MET A 37 6.487 11.368 3.931 1.00 0.23 N ATOM 542 CA MET A 37 5.745 12.661 4.010 1.00 0.24 C ATOM 543 C MET A 37 4.265 12.445 3.700 1.00 0.20 C ATOM 544 O MET A 37 3.421 13.208 4.129 1.00 0.20 O ATOM 545 CB MET A 37 6.334 13.660 3.008 1.00 0.29 C ATOM 546 CG MET A 37 5.836 15.070 3.337 1.00 1.31 C ATOM 547 SD MET A 37 6.626 15.646 4.862 1.00 2.12 S ATOM 548 CE MET A 37 6.205 17.399 4.691 1.00 3.13 C ATOM 0 H MET A 37 7.258 11.348 3.263 1.00 0.23 H new ATOM 0 HA MET A 37 5.842 13.056 5.021 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.423 13.630 3.046 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.043 13.388 1.994 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.066 15.750 2.516 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.752 15.067 3.454 1.00 1.31 H new ATOM 0 HE1 MET A 37 6.603 17.953 5.541 1.00 3.13 H new ATOM 0 HE2 MET A 37 6.637 17.789 3.769 1.00 3.13 H new ATOM 0 HE3 MET A 37 5.121 17.512 4.659 1.00 3.13 H new ATOM 558 N ILE A 38 3.935 11.422 2.950 1.00 0.18 N ATOM 559 CA ILE A 38 2.499 11.173 2.606 1.00 0.15 C ATOM 560 C ILE A 38 1.890 10.127 3.540 1.00 0.16 C ATOM 561 O ILE A 38 0.773 9.691 3.349 1.00 0.16 O ATOM 562 CB ILE A 38 2.394 10.688 1.158 1.00 0.16 C ATOM 563 CG1 ILE A 38 2.931 11.788 0.230 1.00 0.17 C ATOM 564 CG2 ILE A 38 0.920 10.387 0.812 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.129 11.243 -1.206 1.00 0.28 C ATOM 0 H ILE A 38 4.596 10.749 2.561 1.00 0.18 H new ATOM 0 HA ILE A 38 1.949 12.107 2.724 1.00 0.15 H new ATOM 0 HB ILE A 38 2.978 9.776 1.030 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.236 12.628 0.213 1.00 0.17 H new ATOM 0 HG13 ILE A 38 3.878 12.165 0.615 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.852 10.042 -0.220 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.540 9.613 1.479 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.326 11.293 0.932 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.510 12.038 -1.847 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.842 10.419 -1.187 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.175 10.888 -1.595 1.00 0.28 H new ATOM 577 N LYS A 39 2.584 9.738 4.577 1.00 0.19 N ATOM 578 CA LYS A 39 1.980 8.743 5.498 1.00 0.22 C ATOM 579 C LYS A 39 0.731 9.307 6.216 1.00 0.20 C ATOM 580 O LYS A 39 -0.159 8.548 6.519 1.00 0.21 O ATOM 581 CB LYS A 39 3.012 8.193 6.527 1.00 0.31 C ATOM 582 CG LYS A 39 3.232 9.136 7.740 1.00 0.34 C ATOM 583 CD LYS A 39 3.796 8.344 8.929 1.00 0.45 C ATOM 584 CE LYS A 39 2.738 7.390 9.519 1.00 1.16 C ATOM 585 NZ LYS A 39 2.926 6.030 8.942 1.00 1.62 N ATOM 0 H LYS A 39 3.521 10.060 4.819 1.00 0.19 H new ATOM 0 HA LYS A 39 1.658 7.906 4.879 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.673 7.222 6.887 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.965 8.031 6.024 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.919 9.937 7.468 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.290 9.606 8.021 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.666 7.771 8.607 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.136 9.035 9.700 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.830 7.353 10.604 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.736 7.757 9.296 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.164 5.833 8.263 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.844 5.983 8.456 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 2.902 5.323 9.704 1.00 1.62 H new ATOM 599 N PRO A 40 0.671 10.597 6.513 1.00 0.20 N ATOM 600 CA PRO A 40 -0.491 11.123 7.244 1.00 0.21 C ATOM 601 C PRO A 40 -1.763 10.945 6.409 1.00 0.17 C ATOM 602 O PRO A 40 -2.853 11.223 6.865 1.00 0.20 O ATOM 603 CB PRO A 40 -0.167 12.607 7.505 1.00 0.24 C ATOM 604 CG PRO A 40 1.255 12.881 6.937 1.00 0.25 C ATOM 605 CD PRO A 40 1.684 11.625 6.164 1.00 0.21 C ATOM 0 HA PRO A 40 -0.674 10.598 8.182 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.903 13.251 7.023 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.202 12.825 8.572 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.246 13.752 6.282 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.957 13.095 7.743 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.705 11.810 5.090 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.686 11.306 6.452 1.00 0.21 H new ATOM 613 N PHE A 41 -1.629 10.481 5.194 1.00 0.14 N ATOM 614 CA PHE A 41 -2.824 10.274 4.320 1.00 0.14 C ATOM 615 C PHE A 41 -3.016 8.781 4.090 1.00 0.11 C ATOM 616 O PHE A 41 -3.929 8.184 4.611 1.00 0.13 O ATOM 617 CB PHE A 41 -2.604 10.985 2.983 1.00 0.15 C ATOM 618 CG PHE A 41 -2.876 12.455 3.161 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.858 13.304 3.632 1.00 0.19 C ATOM 620 CD2 PHE A 41 -4.154 12.969 2.875 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.118 14.678 3.814 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.418 14.340 3.058 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.399 15.196 3.527 1.00 0.27 C ATOM 0 H PHE A 41 -0.737 10.235 4.766 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.713 10.685 4.799 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.582 10.830 2.638 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.264 10.569 2.222 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.879 12.904 3.854 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.932 12.312 2.515 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.338 15.333 4.173 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.399 14.736 2.840 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.599 16.248 3.666 1.00 0.27 H new ATOM 633 N PHE A 42 -2.161 8.176 3.319 1.00 0.10 N ATOM 634 CA PHE A 42 -2.293 6.717 3.045 1.00 0.11 C ATOM 635 C PHE A 42 -2.568 5.950 4.345 1.00 0.11 C ATOM 636 O PHE A 42 -3.548 5.242 4.461 1.00 0.12 O ATOM 637 CB PHE A 42 -0.993 6.216 2.414 1.00 0.13 C ATOM 638 CG PHE A 42 -1.034 4.716 2.267 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.684 4.142 1.162 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.411 3.891 3.227 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.715 2.746 1.014 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.445 2.490 3.079 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.098 1.917 1.971 1.00 0.10 C ATOM 0 H PHE A 42 -1.370 8.631 2.863 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.128 6.550 2.365 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.850 6.681 1.439 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.144 6.506 3.033 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.160 4.774 0.427 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.092 4.333 4.075 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.214 2.306 0.163 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.029 1.857 3.814 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.126 0.844 1.855 1.00 0.10 H new ATOM 653 N HIS A 43 -1.710 6.080 5.315 1.00 0.14 N ATOM 654 CA HIS A 43 -1.920 5.352 6.600 1.00 0.16 C ATOM 655 C HIS A 43 -3.167 5.897 7.317 1.00 0.16 C ATOM 656 O HIS A 43 -3.854 5.173 8.011 1.00 0.18 O ATOM 657 CB HIS A 43 -0.652 5.498 7.475 1.00 0.21 C ATOM 658 CG HIS A 43 -0.991 5.403 8.939 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.887 4.221 9.648 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.471 6.337 9.824 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.302 4.465 10.904 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.672 5.740 11.066 1.00 0.39 N ATOM 0 H HIS A 43 -0.871 6.659 5.276 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.089 4.293 6.408 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.066 4.721 7.213 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.173 6.456 7.271 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.663 7.374 9.593 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.333 3.721 11.687 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.025 6.180 11.916 1.00 0.39 H new ATOM 670 N SER A 44 -3.465 7.156 7.166 1.00 0.20 N ATOM 671 CA SER A 44 -4.666 7.715 7.854 1.00 0.25 C ATOM 672 C SER A 44 -5.942 7.053 7.314 1.00 0.20 C ATOM 673 O SER A 44 -6.864 6.778 8.055 1.00 0.21 O ATOM 674 CB SER A 44 -4.729 9.227 7.627 1.00 0.34 C ATOM 675 OG SER A 44 -3.823 9.868 8.515 1.00 0.97 O ATOM 0 H SER A 44 -2.935 7.820 6.601 1.00 0.20 H new ATOM 0 HA SER A 44 -4.591 7.512 8.922 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.474 9.463 6.594 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.742 9.591 7.796 1.00 0.34 H new ATOM 0 HG SER A 44 -3.564 10.738 8.146 1.00 0.97 H new ATOM 681 N LEU A 45 -6.009 6.800 6.032 1.00 0.18 N ATOM 682 CA LEU A 45 -7.237 6.164 5.463 1.00 0.18 C ATOM 683 C LEU A 45 -7.582 4.908 6.266 1.00 0.16 C ATOM 684 O LEU A 45 -8.657 4.359 6.138 1.00 0.23 O ATOM 685 CB LEU A 45 -7.000 5.772 3.994 1.00 0.19 C ATOM 686 CG LEU A 45 -6.601 6.995 3.152 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.545 6.591 1.677 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.623 8.128 3.331 1.00 0.50 C ATOM 0 H LEU A 45 -5.272 7.005 5.357 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.059 6.877 5.517 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.216 5.017 3.938 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.905 5.324 3.584 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.624 7.349 3.482 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.263 7.454 1.074 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.808 5.799 1.544 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.524 6.232 1.361 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.325 8.986 2.728 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.607 7.784 3.012 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.663 8.419 4.381 1.00 0.50 H new ATOM 700 N SER A 46 -6.688 4.446 7.093 1.00 0.20 N ATOM 701 CA SER A 46 -6.984 3.227 7.899 1.00 0.25 C ATOM 702 C SER A 46 -8.240 3.461 8.743 1.00 0.17 C ATOM 703 O SER A 46 -8.999 2.552 9.009 1.00 0.15 O ATOM 704 CB SER A 46 -5.804 2.926 8.822 1.00 0.36 C ATOM 705 OG SER A 46 -4.648 2.667 8.038 1.00 0.51 O ATOM 0 H SER A 46 -5.767 4.857 7.247 1.00 0.20 H new ATOM 0 HA SER A 46 -7.148 2.383 7.229 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.624 3.770 9.488 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.030 2.066 9.452 1.00 0.36 H new ATOM 0 HG SER A 46 -4.111 3.484 7.966 1.00 0.51 H new ATOM 711 N GLU A 47 -8.459 4.677 9.178 1.00 0.21 N ATOM 712 CA GLU A 47 -9.661 4.973 10.019 1.00 0.21 C ATOM 713 C GLU A 47 -10.804 5.493 9.142 1.00 0.18 C ATOM 714 O GLU A 47 -11.954 5.467 9.534 1.00 0.18 O ATOM 715 CB GLU A 47 -9.297 6.041 11.056 1.00 0.32 C ATOM 716 CG GLU A 47 -7.941 5.706 11.682 1.00 0.39 C ATOM 717 CD GLU A 47 -7.715 6.585 12.914 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.345 6.327 13.926 1.00 2.00 O ATOM 719 OE2 GLU A 47 -6.914 7.501 12.824 1.00 1.98 O ATOM 0 H GLU A 47 -7.857 5.478 8.987 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.982 4.059 10.518 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.259 7.023 10.584 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.064 6.089 11.829 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.908 4.653 11.963 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.144 5.867 10.956 1.00 0.39 H new ATOM 726 N LYS A 48 -10.505 5.968 7.961 1.00 0.18 N ATOM 727 CA LYS A 48 -11.585 6.493 7.071 1.00 0.17 C ATOM 728 C LYS A 48 -12.109 5.363 6.181 1.00 0.15 C ATOM 729 O LYS A 48 -13.216 5.418 5.682 1.00 0.18 O ATOM 730 CB LYS A 48 -11.020 7.614 6.193 1.00 0.21 C ATOM 731 CG LYS A 48 -12.170 8.424 5.586 1.00 0.26 C ATOM 732 CD LYS A 48 -11.599 9.550 4.720 1.00 1.09 C ATOM 733 CE LYS A 48 -12.744 10.336 4.077 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.202 11.204 2.992 1.00 2.16 N ATOM 0 H LYS A 48 -9.562 6.015 7.574 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.401 6.882 7.680 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.377 8.265 6.786 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.402 7.192 5.401 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.808 7.776 4.985 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.794 8.840 6.377 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.985 10.214 5.328 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.951 9.135 3.948 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.488 9.650 3.671 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.248 10.945 4.827 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -12.979 11.739 2.554 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.508 11.867 3.392 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -11.740 10.612 2.272 1.00 2.16 H new ATOM 748 N TYR A 49 -11.321 4.336 5.985 1.00 0.13 N ATOM 749 CA TYR A 49 -11.759 3.187 5.131 1.00 0.13 C ATOM 750 C TYR A 49 -11.426 1.874 5.841 1.00 0.11 C ATOM 751 O TYR A 49 -10.575 1.122 5.412 1.00 0.11 O ATOM 752 CB TYR A 49 -11.032 3.247 3.780 1.00 0.15 C ATOM 753 CG TYR A 49 -11.713 4.258 2.889 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.963 3.951 2.321 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.106 5.503 2.630 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.610 4.887 1.495 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.750 6.441 1.806 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.003 6.135 1.235 1.00 0.21 C ATOM 759 OH TYR A 49 -13.638 7.053 0.426 1.00 0.24 O ATOM 0 H TYR A 49 -10.386 4.243 6.382 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.834 3.244 4.962 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.988 3.522 3.928 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.039 2.265 3.307 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.426 2.996 2.520 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.145 5.736 3.065 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.570 4.652 1.060 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.286 7.396 1.610 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.086 7.859 0.351 1.00 0.24 H new ATOM 769 N SER A 50 -12.098 1.594 6.923 1.00 0.12 N ATOM 770 CA SER A 50 -11.831 0.329 7.660 1.00 0.13 C ATOM 771 C SER A 50 -12.273 -0.856 6.800 1.00 0.13 C ATOM 772 O SER A 50 -12.080 -2.002 7.155 1.00 0.14 O ATOM 773 CB SER A 50 -12.615 0.332 8.973 1.00 0.16 C ATOM 774 OG SER A 50 -14.006 0.412 8.690 1.00 0.17 O ATOM 0 H SER A 50 -12.821 2.188 7.329 1.00 0.12 H new ATOM 0 HA SER A 50 -10.766 0.245 7.876 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.399 -0.573 9.541 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.309 1.176 9.591 1.00 0.16 H new ATOM 0 HG SER A 50 -14.511 0.412 9.530 1.00 0.17 H new ATOM 780 N ASN A 51 -12.871 -0.585 5.669 1.00 0.13 N ATOM 781 CA ASN A 51 -13.339 -1.683 4.772 1.00 0.15 C ATOM 782 C ASN A 51 -12.279 -1.961 3.704 1.00 0.13 C ATOM 783 O ASN A 51 -12.446 -2.820 2.862 1.00 0.14 O ATOM 784 CB ASN A 51 -14.641 -1.255 4.095 1.00 0.17 C ATOM 785 CG ASN A 51 -15.208 -2.419 3.282 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.790 -2.659 2.167 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.153 -3.158 3.797 1.00 0.32 N ATOM 0 H ASN A 51 -13.057 0.357 5.326 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.506 -2.587 5.358 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.365 -0.937 4.846 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.459 -0.399 3.445 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.540 -3.936 3.263 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.504 -2.957 4.733 1.00 0.32 H new ATOM 794 N VAL A 52 -11.185 -1.238 3.741 1.00 0.11 N ATOM 795 CA VAL A 52 -10.091 -1.443 2.738 1.00 0.10 C ATOM 796 C VAL A 52 -8.829 -1.900 3.464 1.00 0.10 C ATOM 797 O VAL A 52 -8.616 -1.583 4.618 1.00 0.11 O ATOM 798 CB VAL A 52 -9.808 -0.125 2.022 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.648 -0.314 1.043 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.061 0.312 1.259 1.00 0.12 C ATOM 0 H VAL A 52 -11.002 -0.508 4.429 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.394 -2.196 2.011 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.540 0.639 2.751 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.446 0.627 0.532 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.759 -0.628 1.589 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.911 -1.076 0.309 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.865 1.253 0.746 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.327 -0.452 0.528 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.885 0.446 1.959 1.00 0.12 H new ATOM 810 N ILE A 53 -7.995 -2.658 2.803 1.00 0.09 N ATOM 811 CA ILE A 53 -6.742 -3.159 3.449 1.00 0.09 C ATOM 812 C ILE A 53 -5.553 -2.307 2.980 1.00 0.09 C ATOM 813 O ILE A 53 -5.326 -2.147 1.797 1.00 0.14 O ATOM 814 CB ILE A 53 -6.514 -4.617 3.030 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.846 -5.393 3.053 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.484 -5.281 3.956 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.604 -5.198 4.380 1.00 0.17 C ATOM 0 H ILE A 53 -8.127 -2.955 1.836 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.833 -3.094 4.533 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.123 -4.634 2.013 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.473 -5.062 2.225 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.650 -6.454 2.900 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.331 -6.315 3.648 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.539 -4.741 3.896 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.850 -5.258 4.983 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.536 -5.762 4.353 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -7.989 -5.554 5.206 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.824 -4.140 4.521 1.00 0.17 H new ATOM 829 N PHE A 54 -4.793 -1.766 3.900 1.00 0.08 N ATOM 830 CA PHE A 54 -3.606 -0.923 3.529 1.00 0.08 C ATOM 831 C PHE A 54 -2.327 -1.644 3.952 1.00 0.08 C ATOM 832 O PHE A 54 -2.210 -2.113 5.067 1.00 0.11 O ATOM 833 CB PHE A 54 -3.688 0.420 4.253 1.00 0.08 C ATOM 834 CG PHE A 54 -4.841 1.219 3.695 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.768 1.722 2.383 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.987 1.458 4.481 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.839 2.466 1.853 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.059 2.204 3.950 1.00 0.09 C ATOM 839 CZ PHE A 54 -6.985 2.708 2.636 1.00 0.09 C ATOM 0 H PHE A 54 -4.943 -1.872 4.903 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.599 -0.757 2.452 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.825 0.262 5.323 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.755 0.970 4.129 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -3.890 1.537 1.782 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.043 1.070 5.487 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -5.782 2.851 0.846 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.937 2.389 4.550 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.806 3.279 2.229 1.00 0.09 H new ATOM 849 N LEU A 55 -1.371 -1.748 3.063 1.00 0.08 N ATOM 850 CA LEU A 55 -0.085 -2.451 3.388 1.00 0.09 C ATOM 851 C LEU A 55 1.065 -1.436 3.347 1.00 0.09 C ATOM 852 O LEU A 55 0.891 -0.297 2.963 1.00 0.10 O ATOM 853 CB LEU A 55 0.179 -3.544 2.335 1.00 0.10 C ATOM 854 CG LEU A 55 -0.636 -4.812 2.643 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.131 -4.472 2.774 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.423 -5.821 1.502 1.00 0.12 C ATOM 0 H LEU A 55 -1.424 -1.373 2.116 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.154 -2.900 4.379 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.082 -3.171 1.345 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.242 -3.786 2.315 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.302 -5.241 3.588 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.693 -5.380 2.992 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.272 -3.755 3.583 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.489 -4.039 1.840 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.995 -6.726 1.706 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.759 -5.383 0.562 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.636 -6.069 1.429 1.00 0.12 H new ATOM 868 N GLU A 56 2.242 -1.854 3.729 1.00 0.09 N ATOM 869 CA GLU A 56 3.423 -0.939 3.705 1.00 0.09 C ATOM 870 C GLU A 56 4.656 -1.767 3.340 1.00 0.09 C ATOM 871 O GLU A 56 4.790 -2.900 3.755 1.00 0.10 O ATOM 872 CB GLU A 56 3.603 -0.301 5.088 1.00 0.09 C ATOM 873 CG GLU A 56 4.529 0.916 4.982 1.00 0.11 C ATOM 874 CD GLU A 56 4.514 1.685 6.305 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.795 1.077 7.324 1.00 1.31 O ATOM 876 OE2 GLU A 56 4.220 2.869 6.277 1.00 1.24 O ATOM 0 H GLU A 56 2.439 -2.799 4.060 1.00 0.09 H new ATOM 0 HA GLU A 56 3.280 -0.144 2.973 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.635 0.001 5.488 1.00 0.09 H new ATOM 0 HB3 GLU A 56 4.022 -1.029 5.783 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.544 0.595 4.747 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.204 1.564 4.168 1.00 0.11 H new ATOM 883 N VAL A 57 5.547 -1.225 2.542 1.00 0.08 N ATOM 884 CA VAL A 57 6.759 -2.003 2.124 1.00 0.08 C ATOM 885 C VAL A 57 8.010 -1.117 2.180 1.00 0.09 C ATOM 886 O VAL A 57 7.992 0.036 1.787 1.00 0.14 O ATOM 887 CB VAL A 57 6.566 -2.495 0.680 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.867 -3.135 0.178 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.440 -3.534 0.624 1.00 0.09 C ATOM 0 H VAL A 57 5.488 -0.280 2.163 1.00 0.08 H new ATOM 0 HA VAL A 57 6.887 -2.847 2.802 1.00 0.08 H new ATOM 0 HB VAL A 57 6.304 -1.646 0.049 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.730 -3.484 -0.846 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.669 -2.398 0.206 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.127 -3.979 0.817 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.311 -3.876 -0.403 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.695 -4.382 1.260 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.512 -3.084 0.975 1.00 0.09 H new ATOM 899 N ASP A 58 9.105 -1.668 2.648 1.00 0.09 N ATOM 900 CA ASP A 58 10.385 -0.898 2.718 1.00 0.09 C ATOM 901 C ASP A 58 11.245 -1.293 1.511 1.00 0.10 C ATOM 902 O ASP A 58 11.755 -2.394 1.432 1.00 0.11 O ATOM 903 CB ASP A 58 11.120 -1.247 4.021 1.00 0.11 C ATOM 904 CG ASP A 58 12.131 -0.148 4.356 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.721 0.860 4.908 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.297 -0.329 4.053 1.00 1.08 O ATOM 0 H ASP A 58 9.165 -2.628 2.987 1.00 0.09 H new ATOM 0 HA ASP A 58 10.189 0.174 2.702 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.404 -1.356 4.835 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.631 -2.204 3.916 1.00 0.11 H new ATOM 911 N VAL A 59 11.384 -0.414 0.560 1.00 0.12 N ATOM 912 CA VAL A 59 12.181 -0.743 -0.659 1.00 0.15 C ATOM 913 C VAL A 59 13.669 -0.880 -0.328 1.00 0.18 C ATOM 914 O VAL A 59 14.452 -1.283 -1.164 1.00 0.27 O ATOM 915 CB VAL A 59 11.998 0.370 -1.693 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.517 0.479 -2.062 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.478 1.700 -1.102 1.00 0.22 C ATOM 0 H VAL A 59 10.980 0.522 0.572 1.00 0.12 H new ATOM 0 HA VAL A 59 11.827 -1.695 -1.055 1.00 0.15 H new ATOM 0 HB VAL A 59 12.580 0.140 -2.585 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.383 1.271 -2.799 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.176 -0.468 -2.481 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.936 0.711 -1.170 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.348 2.493 -1.838 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.896 1.933 -0.210 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.532 1.621 -0.836 1.00 0.22 H new ATOM 927 N ASP A 60 14.077 -0.540 0.871 1.00 0.16 N ATOM 928 CA ASP A 60 15.532 -0.642 1.230 1.00 0.18 C ATOM 929 C ASP A 60 15.790 -1.856 2.128 1.00 0.17 C ATOM 930 O ASP A 60 16.800 -2.520 2.006 1.00 0.18 O ATOM 931 CB ASP A 60 15.958 0.622 1.974 1.00 0.21 C ATOM 932 CG ASP A 60 15.809 1.837 1.056 1.00 0.24 C ATOM 933 OD1 ASP A 60 14.718 2.375 0.981 1.00 1.08 O ATOM 934 OD2 ASP A 60 16.793 2.211 0.443 1.00 1.11 O ATOM 0 H ASP A 60 13.470 -0.197 1.616 1.00 0.16 H new ATOM 0 HA ASP A 60 16.106 -0.756 0.311 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.348 0.753 2.868 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.992 0.529 2.305 1.00 0.21 H new ATOM 939 N ASP A 61 14.902 -2.143 3.043 1.00 0.17 N ATOM 940 CA ASP A 61 15.116 -3.302 3.965 1.00 0.17 C ATOM 941 C ASP A 61 14.394 -4.544 3.428 1.00 0.16 C ATOM 942 O ASP A 61 14.692 -5.655 3.822 1.00 0.18 O ATOM 943 CB ASP A 61 14.578 -2.938 5.355 1.00 0.19 C ATOM 944 CG ASP A 61 14.503 -4.191 6.235 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.386 -5.026 6.117 1.00 1.07 O ATOM 946 OD2 ASP A 61 13.566 -4.293 7.008 1.00 1.12 O ATOM 0 H ASP A 61 14.036 -1.625 3.193 1.00 0.17 H new ATOM 0 HA ASP A 61 16.181 -3.525 4.032 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.225 -2.195 5.821 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.589 -2.488 5.265 1.00 0.19 H new ATOM 951 N ALA A 62 13.459 -4.368 2.528 1.00 0.16 N ATOM 952 CA ALA A 62 12.719 -5.537 1.949 1.00 0.16 C ATOM 953 C ALA A 62 12.938 -5.549 0.437 1.00 0.16 C ATOM 954 O ALA A 62 12.008 -5.611 -0.342 1.00 0.15 O ATOM 955 CB ALA A 62 11.223 -5.408 2.260 1.00 0.17 C ATOM 0 H ALA A 62 13.173 -3.459 2.165 1.00 0.16 H new ATOM 0 HA ALA A 62 13.087 -6.466 2.384 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.689 -6.259 1.838 1.00 0.17 H new ATOM 0 HB2 ALA A 62 11.076 -5.387 3.340 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.839 -4.486 1.824 1.00 0.17 H new ATOM 961 N GLN A 63 14.173 -5.477 0.023 1.00 0.20 N ATOM 962 CA GLN A 63 14.485 -5.471 -1.436 1.00 0.22 C ATOM 963 C GLN A 63 13.848 -6.685 -2.119 1.00 0.20 C ATOM 964 O GLN A 63 13.740 -6.737 -3.327 1.00 0.20 O ATOM 965 CB GLN A 63 16.003 -5.518 -1.630 1.00 0.29 C ATOM 966 CG GLN A 63 16.663 -4.436 -0.771 1.00 0.90 C ATOM 967 CD GLN A 63 18.153 -4.355 -1.109 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.520 -4.191 -2.256 1.00 2.17 O ATOM 969 NE2 GLN A 63 19.034 -4.462 -0.152 1.00 2.22 N ATOM 0 H GLN A 63 14.986 -5.422 0.637 1.00 0.20 H new ATOM 0 HA GLN A 63 14.082 -4.561 -1.882 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.385 -6.500 -1.353 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.251 -5.364 -2.680 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.186 -3.473 -0.950 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.531 -4.665 0.286 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.727 -4.600 0.811 1.00 2.22 H new ATOM 0 HE22 GLN A 63 20.030 -4.408 -0.367 1.00 2.22 H new ATOM 978 N ASP A 64 13.427 -7.665 -1.365 1.00 0.19 N ATOM 979 CA ASP A 64 12.806 -8.866 -1.992 1.00 0.20 C ATOM 980 C ASP A 64 11.434 -8.494 -2.563 1.00 0.17 C ATOM 981 O ASP A 64 11.064 -8.924 -3.637 1.00 0.19 O ATOM 982 CB ASP A 64 12.653 -9.973 -0.943 1.00 0.22 C ATOM 983 CG ASP A 64 12.215 -9.367 0.393 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.875 -8.195 0.407 1.00 1.09 O ATOM 985 OD2 ASP A 64 12.225 -10.086 1.378 1.00 1.11 O ATOM 0 H ASP A 64 13.486 -7.686 -0.347 1.00 0.19 H new ATOM 0 HA ASP A 64 13.444 -9.226 -2.799 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.918 -10.705 -1.279 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.598 -10.503 -0.820 1.00 0.22 H new ATOM 990 N VAL A 65 10.682 -7.693 -1.860 1.00 0.15 N ATOM 991 CA VAL A 65 9.344 -7.294 -2.372 1.00 0.16 C ATOM 992 C VAL A 65 9.533 -6.284 -3.506 1.00 0.16 C ATOM 993 O VAL A 65 8.943 -6.401 -4.562 1.00 0.19 O ATOM 994 CB VAL A 65 8.534 -6.656 -1.239 1.00 0.16 C ATOM 995 CG1 VAL A 65 7.074 -6.508 -1.671 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.610 -7.550 0.004 1.00 0.18 C ATOM 0 H VAL A 65 10.937 -7.299 -0.954 1.00 0.15 H new ATOM 0 HA VAL A 65 8.809 -8.168 -2.743 1.00 0.16 H new ATOM 0 HB VAL A 65 8.944 -5.672 -1.009 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.500 -6.054 -0.863 1.00 0.19 H new ATOM 0 HG12 VAL A 65 7.019 -5.874 -2.556 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.661 -7.490 -1.902 1.00 0.19 H new ATOM 0 HG21 VAL A 65 8.035 -7.099 0.812 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.200 -8.533 -0.229 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.650 -7.655 0.314 1.00 0.18 H new ATOM 1006 N ALA A 66 10.363 -5.299 -3.296 1.00 0.16 N ATOM 1007 CA ALA A 66 10.607 -4.285 -4.359 1.00 0.18 C ATOM 1008 C ALA A 66 11.248 -4.965 -5.571 1.00 0.19 C ATOM 1009 O ALA A 66 11.047 -4.564 -6.700 1.00 0.20 O ATOM 1010 CB ALA A 66 11.552 -3.207 -3.824 1.00 0.22 C ATOM 0 H ALA A 66 10.884 -5.153 -2.431 1.00 0.16 H new ATOM 0 HA ALA A 66 9.662 -3.829 -4.653 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.732 -2.463 -4.600 1.00 0.22 H new ATOM 0 HB2 ALA A 66 11.100 -2.725 -2.957 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.498 -3.664 -3.533 1.00 0.22 H new ATOM 1016 N SER A 67 12.019 -5.995 -5.345 1.00 0.21 N ATOM 1017 CA SER A 67 12.674 -6.701 -6.482 1.00 0.26 C ATOM 1018 C SER A 67 11.599 -7.323 -7.378 1.00 0.26 C ATOM 1019 O SER A 67 11.578 -7.114 -8.575 1.00 0.29 O ATOM 1020 CB SER A 67 13.590 -7.799 -5.939 1.00 0.31 C ATOM 1021 OG SER A 67 14.788 -7.210 -5.447 1.00 1.29 O ATOM 0 H SER A 67 12.223 -6.377 -4.422 1.00 0.21 H new ATOM 0 HA SER A 67 13.265 -5.993 -7.063 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.087 -8.348 -5.143 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.821 -8.518 -6.725 1.00 0.31 H new ATOM 0 HG SER A 67 14.593 -6.705 -4.630 1.00 1.29 H new ATOM 1027 N GLU A 68 10.707 -8.085 -6.807 1.00 0.26 N ATOM 1028 CA GLU A 68 9.633 -8.718 -7.624 1.00 0.30 C ATOM 1029 C GLU A 68 8.756 -7.629 -8.245 1.00 0.31 C ATOM 1030 O GLU A 68 8.289 -7.755 -9.360 1.00 0.36 O ATOM 1031 CB GLU A 68 8.779 -9.619 -6.726 1.00 0.31 C ATOM 1032 CG GLU A 68 7.730 -10.357 -7.568 1.00 0.39 C ATOM 1033 CD GLU A 68 6.545 -9.432 -7.856 1.00 1.43 C ATOM 1034 OE1 GLU A 68 5.925 -8.981 -6.907 1.00 2.20 O ATOM 1035 OE2 GLU A 68 6.277 -9.191 -9.022 1.00 2.19 O ATOM 0 H GLU A 68 10.675 -8.297 -5.810 1.00 0.26 H new ATOM 0 HA GLU A 68 10.080 -9.316 -8.418 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.414 -10.338 -6.209 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.287 -9.021 -5.960 1.00 0.31 H new ATOM 0 HG2 GLU A 68 8.175 -10.694 -8.504 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.388 -11.247 -7.039 1.00 0.39 H new ATOM 1042 N ALA A 69 8.527 -6.559 -7.530 1.00 0.29 N ATOM 1043 CA ALA A 69 7.676 -5.459 -8.078 1.00 0.31 C ATOM 1044 C ALA A 69 8.548 -4.487 -8.884 1.00 0.29 C ATOM 1045 O ALA A 69 8.060 -3.540 -9.467 1.00 0.33 O ATOM 1046 CB ALA A 69 7.010 -4.714 -6.916 1.00 0.31 C ATOM 0 H ALA A 69 8.892 -6.398 -6.591 1.00 0.29 H new ATOM 0 HA ALA A 69 6.910 -5.877 -8.731 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.387 -3.910 -7.308 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.391 -5.407 -6.346 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.777 -4.294 -6.265 1.00 0.31 H new ATOM 1052 N GLU A 70 9.833 -4.720 -8.921 1.00 0.27 N ATOM 1053 CA GLU A 70 10.746 -3.818 -9.688 1.00 0.29 C ATOM 1054 C GLU A 70 10.383 -2.351 -9.422 1.00 0.25 C ATOM 1055 O GLU A 70 10.196 -1.574 -10.337 1.00 0.26 O ATOM 1056 CB GLU A 70 10.619 -4.105 -11.189 1.00 0.38 C ATOM 1057 CG GLU A 70 11.144 -5.513 -11.504 1.00 1.18 C ATOM 1058 CD GLU A 70 10.077 -6.556 -11.160 1.00 1.61 C ATOM 1059 OE1 GLU A 70 8.918 -6.304 -11.446 1.00 2.34 O ATOM 1060 OE2 GLU A 70 10.439 -7.589 -10.622 1.00 2.06 O ATOM 0 H GLU A 70 10.293 -5.500 -8.451 1.00 0.27 H new ATOM 0 HA GLU A 70 11.771 -4.001 -9.366 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.577 -4.020 -11.496 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.180 -3.364 -11.758 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.408 -5.585 -12.559 1.00 1.18 H new ATOM 0 HG3 GLU A 70 12.053 -5.708 -10.934 1.00 1.18 H new ATOM 1067 N VAL A 71 10.294 -1.964 -8.178 1.00 0.22 N ATOM 1068 CA VAL A 71 9.955 -0.547 -7.858 1.00 0.19 C ATOM 1069 C VAL A 71 11.203 0.318 -8.050 1.00 0.23 C ATOM 1070 O VAL A 71 12.267 0.001 -7.557 1.00 0.28 O ATOM 1071 CB VAL A 71 9.480 -0.460 -6.410 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.998 0.962 -6.116 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.324 -1.439 -6.204 1.00 0.19 C ATOM 0 H VAL A 71 10.441 -2.568 -7.369 1.00 0.22 H new ATOM 0 HA VAL A 71 9.163 -0.192 -8.517 1.00 0.19 H new ATOM 0 HB VAL A 71 10.301 -0.711 -5.738 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.659 1.025 -5.082 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.818 1.664 -6.272 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.174 1.212 -6.784 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.979 -1.383 -5.172 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.505 -1.181 -6.875 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.663 -2.453 -6.418 1.00 0.19 H new ATOM 1083 N LYS A 72 11.080 1.403 -8.778 1.00 0.24 N ATOM 1084 CA LYS A 72 12.257 2.300 -9.029 1.00 0.29 C ATOM 1085 C LYS A 72 11.912 3.733 -8.611 1.00 0.26 C ATOM 1086 O LYS A 72 12.680 4.651 -8.820 1.00 0.27 O ATOM 1087 CB LYS A 72 12.592 2.275 -10.525 1.00 0.35 C ATOM 1088 CG LYS A 72 13.089 0.881 -10.920 1.00 0.43 C ATOM 1089 CD LYS A 72 13.047 0.734 -12.443 1.00 1.16 C ATOM 1090 CE LYS A 72 13.812 -0.525 -12.862 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.674 -0.724 -14.333 1.00 2.40 N ATOM 0 H LYS A 72 10.209 1.709 -9.213 1.00 0.24 H new ATOM 0 HA LYS A 72 13.112 1.952 -8.450 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.710 2.536 -11.109 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.355 3.021 -10.749 1.00 0.35 H new ATOM 0 HG2 LYS A 72 14.106 0.730 -10.558 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.468 0.117 -10.453 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.013 0.673 -12.784 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.487 1.612 -12.915 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.864 -0.430 -12.594 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.425 -1.393 -12.329 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.193 -1.579 -14.618 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.669 -0.833 -14.576 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.064 0.101 -14.833 1.00 2.40 H new ATOM 1105 N ALA A 73 10.766 3.934 -8.022 1.00 0.22 N ATOM 1106 CA ALA A 73 10.372 5.312 -7.590 1.00 0.20 C ATOM 1107 C ALA A 73 9.420 5.202 -6.405 1.00 0.18 C ATOM 1108 O ALA A 73 8.539 4.380 -6.405 1.00 0.16 O ATOM 1109 CB ALA A 73 9.667 6.030 -8.754 1.00 0.21 C ATOM 0 H ALA A 73 10.082 3.205 -7.819 1.00 0.22 H new ATOM 0 HA ALA A 73 11.257 5.880 -7.301 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.379 7.034 -8.441 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.345 6.095 -9.605 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.777 5.470 -9.041 1.00 0.21 H new ATOM 1115 N THR A 74 9.580 6.036 -5.402 1.00 0.18 N ATOM 1116 CA THR A 74 8.660 5.984 -4.217 1.00 0.17 C ATOM 1117 C THR A 74 8.022 7.371 -4.021 1.00 0.17 C ATOM 1118 O THR A 74 8.652 8.366 -4.324 1.00 0.19 O ATOM 1119 CB THR A 74 9.456 5.622 -2.949 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.495 6.564 -2.762 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.071 4.219 -3.074 1.00 0.19 C ATOM 0 H THR A 74 10.307 6.750 -5.353 1.00 0.18 H new ATOM 0 HA THR A 74 7.891 5.231 -4.390 1.00 0.17 H new ATOM 0 HB THR A 74 8.775 5.635 -2.098 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.002 6.336 -1.955 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.629 3.984 -2.167 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.277 3.485 -3.212 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.744 4.192 -3.931 1.00 0.19 H new ATOM 1129 N PRO A 75 6.808 7.426 -3.497 1.00 0.17 N ATOM 1130 CA PRO A 75 5.995 6.248 -3.112 1.00 0.16 C ATOM 1131 C PRO A 75 5.363 5.606 -4.352 1.00 0.14 C ATOM 1132 O PRO A 75 4.965 6.287 -5.276 1.00 0.14 O ATOM 1133 CB PRO A 75 4.895 6.825 -2.193 1.00 0.17 C ATOM 1134 CG PRO A 75 4.942 8.373 -2.337 1.00 0.20 C ATOM 1135 CD PRO A 75 6.163 8.718 -3.220 1.00 0.19 C ATOM 0 HA PRO A 75 6.589 5.475 -2.623 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.915 6.442 -2.478 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.064 6.529 -1.158 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.023 8.744 -2.791 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.029 8.847 -1.359 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.857 9.212 -4.142 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.843 9.397 -2.706 1.00 0.19 H new ATOM 1143 N THR A 76 5.244 4.300 -4.356 1.00 0.13 N ATOM 1144 CA THR A 76 4.602 3.598 -5.515 1.00 0.12 C ATOM 1145 C THR A 76 3.313 2.965 -5.012 1.00 0.12 C ATOM 1146 O THR A 76 3.337 2.072 -4.189 1.00 0.18 O ATOM 1147 CB THR A 76 5.522 2.487 -6.057 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.863 2.927 -6.005 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.154 2.167 -7.508 1.00 0.13 C ATOM 0 H THR A 76 5.564 3.688 -3.606 1.00 0.13 H new ATOM 0 HA THR A 76 4.412 4.311 -6.317 1.00 0.12 H new ATOM 0 HB THR A 76 5.400 1.591 -5.448 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.899 3.890 -6.185 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.808 1.381 -7.884 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.118 1.830 -7.555 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.273 3.062 -8.119 1.00 0.13 H new ATOM 1157 N PHE A 77 2.184 3.409 -5.489 1.00 0.09 N ATOM 1158 CA PHE A 77 0.906 2.804 -5.017 1.00 0.09 C ATOM 1159 C PHE A 77 0.552 1.640 -5.926 1.00 0.09 C ATOM 1160 O PHE A 77 0.446 1.781 -7.129 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.217 3.839 -5.034 1.00 0.10 C ATOM 1162 CG PHE A 77 0.070 4.865 -3.974 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.188 4.555 -2.627 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.605 6.121 -4.324 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.088 5.501 -1.624 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.881 7.071 -3.321 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.623 6.761 -1.970 1.00 0.12 C ATOM 0 H PHE A 77 2.090 4.156 -6.177 1.00 0.09 H new ATOM 0 HA PHE A 77 1.029 2.453 -3.992 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.282 4.313 -6.013 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.178 3.360 -4.848 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.598 3.591 -2.363 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.803 6.355 -5.360 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.109 5.264 -0.589 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.289 8.035 -3.586 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.835 7.488 -1.200 1.00 0.12 H new ATOM 1177 N GLN A 78 0.375 0.486 -5.349 1.00 0.07 N ATOM 1178 CA GLN A 78 0.029 -0.726 -6.136 1.00 0.07 C ATOM 1179 C GLN A 78 -1.290 -1.265 -5.599 1.00 0.06 C ATOM 1180 O GLN A 78 -1.510 -1.306 -4.405 1.00 0.07 O ATOM 1181 CB GLN A 78 1.138 -1.766 -5.954 1.00 0.08 C ATOM 1182 CG GLN A 78 2.500 -1.092 -6.114 1.00 0.12 C ATOM 1183 CD GLN A 78 3.579 -2.159 -6.312 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.309 -3.339 -6.207 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.799 -1.792 -6.596 1.00 1.03 N ATOM 0 H GLN A 78 0.458 0.330 -4.344 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.067 -0.495 -7.197 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.062 -2.226 -4.969 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.027 -2.564 -6.688 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.484 -0.414 -6.967 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.726 -0.491 -5.233 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.026 -0.802 -6.684 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.525 -2.496 -6.730 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.179 -1.649 -6.473 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.513 -2.160 -6.031 1.00 0.07 C ATOM 1196 C PHE A 79 -3.602 -3.650 -6.313 1.00 0.07 C ATOM 1197 O PHE A 79 -3.417 -4.097 -7.428 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.610 -1.415 -6.798 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.571 0.044 -6.401 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.497 0.843 -6.811 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.588 0.594 -5.605 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.431 2.197 -6.432 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.527 1.944 -5.215 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.449 2.747 -5.629 1.00 0.11 C ATOM 0 H PHE A 79 -2.040 -1.632 -7.483 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.641 -1.994 -4.961 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.458 -1.519 -7.872 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.587 -1.843 -6.572 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.714 0.418 -7.422 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.419 -0.021 -5.291 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.604 2.811 -6.755 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.308 2.364 -4.598 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.402 3.784 -5.331 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.882 -4.420 -5.297 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.991 -5.897 -5.459 1.00 0.08 C ATOM 1216 C PHE A 80 -5.361 -6.343 -4.962 1.00 0.11 C ATOM 1217 O PHE A 80 -5.988 -5.688 -4.149 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.905 -6.584 -4.628 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.551 -6.354 -5.263 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.192 -7.061 -6.428 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.643 -5.441 -4.687 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.072 -6.855 -7.016 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.620 -5.235 -5.275 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.978 -5.943 -6.439 1.00 0.14 C ATOM 0 H PHE A 80 -4.042 -4.083 -4.348 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.866 -6.165 -6.508 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.911 -6.193 -3.611 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.108 -7.653 -4.560 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.886 -7.761 -6.870 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.917 -4.899 -3.794 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.346 -7.396 -7.909 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.314 -4.535 -4.834 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.947 -5.787 -6.889 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.832 -7.452 -5.446 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.160 -7.956 -5.014 1.00 0.14 C ATOM 1236 C LYS A 81 -7.168 -9.468 -5.231 1.00 0.14 C ATOM 1237 O LYS A 81 -6.895 -9.941 -6.316 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.253 -7.276 -5.857 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.608 -7.340 -5.132 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.627 -6.441 -5.850 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.814 -6.168 -4.923 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.835 -5.359 -5.646 1.00 1.48 N ATOM 0 H LYS A 81 -5.350 -8.037 -6.129 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.351 -7.733 -3.964 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.983 -6.237 -6.044 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.329 -7.766 -6.828 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.970 -8.368 -5.108 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.492 -7.019 -4.097 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.157 -5.502 -6.141 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.971 -6.923 -6.765 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.251 -7.109 -4.588 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.478 -5.637 -4.032 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.738 -5.401 -5.132 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.516 -4.371 -5.706 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.964 -5.740 -6.605 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.446 -10.224 -4.203 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.447 -11.708 -4.334 1.00 0.20 C ATOM 1258 C LYS A 82 -6.074 -12.188 -4.818 1.00 0.20 C ATOM 1259 O LYS A 82 -5.950 -13.241 -5.411 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.525 -12.151 -5.337 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.908 -12.098 -4.680 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.971 -12.542 -5.693 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.356 -12.087 -5.223 1.00 1.19 C ATOM 1264 NZ LYS A 82 -13.405 -12.804 -6.005 1.00 1.67 N ATOM 0 H LYS A 82 -7.674 -9.874 -3.272 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.663 -12.145 -3.359 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.505 -11.504 -6.214 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.317 -13.163 -5.683 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.932 -12.746 -3.804 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.120 -11.086 -4.334 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.752 -12.119 -6.673 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.952 -13.626 -5.803 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.476 -12.291 -4.159 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.461 -11.010 -5.355 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -14.346 -12.496 -5.687 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.293 -12.587 -7.016 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.308 -13.829 -5.858 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.040 -11.434 -4.562 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.679 -11.860 -5.001 1.00 0.21 C ATOM 1280 C GLY A 83 -3.444 -11.459 -6.457 1.00 0.19 C ATOM 1281 O GLY A 83 -2.449 -11.823 -7.051 1.00 0.22 O ATOM 0 H GLY A 83 -5.078 -10.542 -4.068 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.923 -11.401 -4.363 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.575 -12.940 -4.892 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.356 -10.717 -7.042 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.190 -10.289 -8.473 1.00 0.17 C ATOM 1287 C GLN A 84 -4.026 -8.767 -8.552 1.00 0.16 C ATOM 1288 O GLN A 84 -4.576 -8.031 -7.759 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.428 -10.706 -9.264 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.663 -12.206 -9.080 1.00 0.23 C ATOM 1291 CD GLN A 84 -6.954 -12.612 -9.793 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.031 -13.675 -10.378 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -7.979 -11.806 -9.769 1.00 2.08 N ATOM 0 H GLN A 84 -5.210 -10.388 -6.591 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.302 -10.764 -8.890 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.298 -10.145 -8.922 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.294 -10.474 -10.321 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.821 -12.769 -9.482 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.730 -12.447 -8.019 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -7.915 -10.914 -9.278 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.845 -12.068 -10.241 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.272 -8.292 -9.512 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.066 -6.820 -9.657 1.00 0.17 C ATOM 1304 C LYS A 85 -4.214 -6.231 -10.477 1.00 0.16 C ATOM 1305 O LYS A 85 -4.678 -6.833 -11.424 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.744 -6.554 -10.384 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.510 -5.044 -10.483 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.050 -4.767 -10.861 1.00 0.30 C ATOM 1309 CE LYS A 85 0.263 -5.401 -12.219 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.512 -4.800 -12.773 1.00 1.70 N ATOM 0 H LYS A 85 -2.789 -8.864 -10.204 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.038 -6.359 -8.670 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.921 -7.026 -9.848 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.770 -6.995 -11.381 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.176 -4.612 -11.229 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.745 -4.567 -9.531 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.127 -3.692 -10.902 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.616 -5.171 -10.098 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.383 -6.479 -12.110 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.567 -5.240 -12.907 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.725 -5.230 -13.695 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.381 -3.775 -12.891 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.301 -4.975 -12.119 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.680 -5.058 -10.116 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.810 -4.421 -10.869 1.00 0.16 C ATOM 1326 C VAL A 86 -5.438 -2.987 -11.271 1.00 0.18 C ATOM 1327 O VAL A 86 -6.041 -2.412 -12.155 1.00 0.26 O ATOM 1328 CB VAL A 86 -7.054 -4.396 -9.978 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.569 -5.821 -9.779 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.698 -3.790 -8.617 1.00 0.17 C ATOM 0 H VAL A 86 -4.326 -4.513 -9.330 1.00 0.15 H new ATOM 0 HA VAL A 86 -6.011 -4.998 -11.772 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.827 -3.793 -10.454 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.455 -5.802 -9.144 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.825 -6.254 -10.746 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.795 -6.425 -9.304 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.585 -3.773 -7.983 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.924 -4.393 -8.142 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.332 -2.773 -8.756 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.453 -2.399 -10.641 1.00 0.15 N ATOM 1341 CA GLY A 87 -4.067 -1.003 -11.013 1.00 0.18 C ATOM 1342 C GLY A 87 -2.822 -0.566 -10.230 1.00 0.10 C ATOM 1343 O GLY A 87 -2.371 -1.251 -9.333 1.00 0.08 O ATOM 0 H GLY A 87 -3.903 -2.820 -9.892 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.870 -0.946 -12.083 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.893 -0.323 -10.805 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.265 0.572 -10.567 1.00 0.10 N ATOM 1348 CA GLU A 88 -1.046 1.057 -9.847 1.00 0.10 C ATOM 1349 C GLU A 88 -0.677 2.463 -10.320 1.00 0.10 C ATOM 1350 O GLU A 88 -0.939 2.842 -11.443 1.00 0.11 O ATOM 1351 CB GLU A 88 0.120 0.107 -10.127 1.00 0.17 C ATOM 1352 CG GLU A 88 0.157 -0.226 -11.620 1.00 0.25 C ATOM 1353 CD GLU A 88 1.468 -0.939 -11.954 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.273 -1.112 -11.053 1.00 2.04 O ATOM 1355 OE2 GLU A 88 1.645 -1.301 -13.106 1.00 1.94 O ATOM 0 H GLU A 88 -2.602 1.186 -11.309 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.254 1.085 -8.777 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.060 0.567 -9.822 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.008 -0.806 -9.542 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.690 -0.859 -11.883 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.067 0.687 -12.209 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.050 3.231 -9.468 1.00 0.09 N ATOM 1363 CA PHE A 89 0.362 4.605 -9.870 1.00 0.09 C ATOM 1364 C PHE A 89 1.306 5.205 -8.823 1.00 0.09 C ATOM 1365 O PHE A 89 1.040 5.187 -7.645 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.874 5.508 -10.076 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.461 5.986 -8.758 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.801 6.977 -7.998 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.688 5.455 -8.301 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.363 7.429 -6.790 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.248 5.913 -7.091 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.587 6.899 -6.336 1.00 0.11 C ATOM 0 H PHE A 89 0.193 2.966 -8.514 1.00 0.09 H new ATOM 0 HA PHE A 89 0.895 4.543 -10.819 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.595 6.370 -10.682 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.634 4.960 -10.633 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.136 7.388 -8.344 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.197 4.698 -8.879 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.855 8.184 -6.209 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.186 5.506 -6.743 1.00 0.10 H new ATOM 0 HZ PHE A 89 -3.017 7.249 -5.409 1.00 0.11 H new ATOM 1382 N SER A 90 2.417 5.746 -9.256 1.00 0.13 N ATOM 1383 CA SER A 90 3.389 6.366 -8.298 1.00 0.14 C ATOM 1384 C SER A 90 3.215 7.886 -8.338 1.00 0.14 C ATOM 1385 O SER A 90 2.211 8.392 -8.798 1.00 0.17 O ATOM 1386 CB SER A 90 4.815 6.004 -8.718 1.00 0.15 C ATOM 1387 OG SER A 90 5.227 6.866 -9.771 1.00 0.16 O ATOM 0 H SER A 90 2.696 5.786 -10.236 1.00 0.13 H new ATOM 0 HA SER A 90 3.207 5.998 -7.289 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.492 6.099 -7.869 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.858 4.965 -9.045 1.00 0.15 H new ATOM 0 HG SER A 90 5.806 7.570 -9.410 1.00 0.16 H new ATOM 1393 N GLY A 91 4.181 8.619 -7.861 1.00 0.12 N ATOM 1394 CA GLY A 91 4.062 10.109 -7.875 1.00 0.13 C ATOM 1395 C GLY A 91 3.255 10.561 -6.660 1.00 0.13 C ATOM 1396 O GLY A 91 2.180 10.060 -6.396 1.00 0.13 O ATOM 0 H GLY A 91 5.047 8.255 -7.462 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.052 10.565 -7.859 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.575 10.438 -8.793 1.00 0.13 H new ATOM 1400 N ALA A 92 3.772 11.491 -5.905 1.00 0.15 N ATOM 1401 CA ALA A 92 3.034 11.955 -4.696 1.00 0.17 C ATOM 1402 C ALA A 92 1.627 12.438 -5.067 1.00 0.15 C ATOM 1403 O ALA A 92 1.434 13.573 -5.456 1.00 0.16 O ATOM 1404 CB ALA A 92 3.813 13.104 -4.024 1.00 0.20 C ATOM 0 H ALA A 92 4.669 11.948 -6.071 1.00 0.15 H new ATOM 0 HA ALA A 92 2.942 11.117 -4.005 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.272 13.442 -3.140 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.802 12.751 -3.731 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.916 13.932 -4.725 1.00 0.20 H new ATOM 1410 N ASN A 93 0.640 11.597 -4.913 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.763 12.012 -5.217 1.00 0.13 C ATOM 1412 C ASN A 93 -1.679 11.393 -4.158 1.00 0.12 C ATOM 1413 O ASN A 93 -2.330 10.392 -4.382 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.159 11.535 -6.615 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.340 12.367 -7.113 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.230 12.695 -6.353 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.388 12.725 -8.364 1.00 1.15 N ATOM 0 H ASN A 93 0.744 10.636 -4.588 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.852 13.098 -5.196 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.316 11.633 -7.298 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.428 10.479 -6.590 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.172 13.280 -8.706 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.641 12.450 -9.002 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.699 11.978 -2.997 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.529 11.442 -1.875 1.00 0.20 C ATOM 1426 C LYS A 94 -4.026 11.518 -2.195 1.00 0.18 C ATOM 1427 O LYS A 94 -4.773 10.604 -1.908 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.238 12.246 -0.599 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.081 13.735 -0.950 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.984 14.583 0.328 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.546 14.568 0.863 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.366 15.182 -0.145 1.00 1.19 N ATOM 0 H LYS A 94 -1.168 12.819 -2.769 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.268 10.394 -1.730 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.048 12.115 0.118 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.329 11.876 -0.124 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.188 13.879 -1.558 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.930 14.065 -1.549 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -2.292 15.607 0.118 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.666 14.194 1.084 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.490 15.118 1.802 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.236 13.545 1.074 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 0.959 15.901 0.316 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 0.973 14.445 -0.558 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -0.197 15.628 -0.897 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.480 12.600 -2.758 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.934 12.721 -3.055 1.00 0.20 C ATOM 1448 C GLU A 95 -6.346 11.677 -4.099 1.00 0.17 C ATOM 1449 O GLU A 95 -7.490 11.276 -4.169 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.220 14.129 -3.585 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.241 15.125 -2.421 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.635 16.510 -2.940 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -5.762 17.209 -3.425 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -7.803 16.846 -2.841 1.00 1.95 O ATOM 0 H GLU A 95 -3.911 13.403 -3.025 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.507 12.548 -2.144 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.458 14.417 -4.309 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.177 14.144 -4.107 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.948 14.796 -1.660 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.260 15.168 -1.948 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.427 11.230 -4.906 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.771 10.215 -5.938 1.00 0.14 C ATOM 1463 C LYS A 96 -6.115 8.892 -5.257 1.00 0.12 C ATOM 1464 O LYS A 96 -6.964 8.155 -5.716 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.583 10.024 -6.884 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.871 8.888 -7.879 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.753 8.815 -8.938 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.050 9.778 -10.096 1.00 1.18 C ATOM 1469 NZ LYS A 96 -2.840 9.903 -10.957 1.00 2.05 N ATOM 0 H LYS A 96 -4.450 11.524 -4.896 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.633 10.555 -6.512 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.388 10.950 -7.425 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.685 9.795 -6.310 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.942 7.939 -7.348 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.832 9.055 -8.365 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.795 9.067 -8.483 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.668 7.796 -9.316 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.891 9.410 -10.683 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.336 10.755 -9.707 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -3.039 10.555 -11.742 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -2.049 10.272 -10.392 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.587 8.969 -11.338 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.469 8.577 -4.166 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.782 7.293 -3.481 1.00 0.11 C ATOM 1485 C LEU A 97 -7.289 7.207 -3.250 1.00 0.11 C ATOM 1486 O LEU A 97 -7.880 6.146 -3.300 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.068 7.228 -2.122 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.543 7.180 -2.319 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.854 7.578 -1.003 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.087 5.752 -2.736 1.00 0.13 C ATOM 0 H LEU A 97 -4.747 9.147 -3.725 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.444 6.465 -4.105 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.336 8.097 -1.521 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.398 6.346 -1.572 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.266 7.875 -3.112 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.772 7.546 -1.135 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.156 8.588 -0.725 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.144 6.882 -0.216 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.005 5.740 -2.870 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.364 5.040 -1.959 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.572 5.474 -3.672 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.912 8.320 -2.994 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.384 8.312 -2.753 1.00 0.14 C ATOM 1504 C GLU A 98 -10.110 7.913 -4.040 1.00 0.13 C ATOM 1505 O GLU A 98 -10.862 6.958 -4.073 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.835 9.714 -2.324 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.289 9.677 -1.838 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.234 9.543 -3.034 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -12.413 10.524 -3.737 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.764 8.461 -3.228 1.00 2.05 O ATOM 0 H GLU A 98 -7.468 9.237 -2.941 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.622 7.595 -1.967 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.188 10.085 -1.529 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.741 10.406 -3.161 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.432 8.840 -1.155 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.519 10.586 -1.282 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.898 8.646 -5.097 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.580 8.328 -6.383 1.00 0.14 C ATOM 1519 C ALA A 99 -10.226 6.911 -6.843 1.00 0.12 C ATOM 1520 O ALA A 99 -11.069 6.189 -7.328 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.139 9.329 -7.452 1.00 0.15 C ATOM 0 H ALA A 99 -9.279 9.456 -5.126 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.658 8.391 -6.233 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.637 9.098 -8.394 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.406 10.338 -7.138 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -9.059 9.265 -7.587 1.00 0.15 H new ATOM 1527 N THR A 100 -8.989 6.512 -6.709 1.00 0.11 N ATOM 1528 CA THR A 100 -8.595 5.143 -7.162 1.00 0.11 C ATOM 1529 C THR A 100 -9.271 4.087 -6.284 1.00 0.10 C ATOM 1530 O THR A 100 -9.806 3.111 -6.775 1.00 0.11 O ATOM 1531 CB THR A 100 -7.074 4.993 -7.071 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.455 6.126 -7.663 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.637 3.727 -7.811 1.00 0.12 C ATOM 0 H THR A 100 -8.236 7.071 -6.307 1.00 0.11 H new ATOM 0 HA THR A 100 -8.913 5.002 -8.195 1.00 0.11 H new ATOM 0 HB THR A 100 -6.778 4.919 -6.025 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.580 6.907 -7.084 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.554 3.622 -7.745 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.114 2.858 -7.358 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.931 3.798 -8.858 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.256 4.270 -4.994 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.908 3.271 -4.096 1.00 0.11 C ATOM 1543 C ILE A 101 -11.398 3.191 -4.446 1.00 0.13 C ATOM 1544 O ILE A 101 -11.928 2.129 -4.692 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.732 3.711 -2.628 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.286 3.416 -2.177 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.721 2.945 -1.732 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.920 4.258 -0.944 1.00 0.18 C ATOM 0 H ILE A 101 -8.823 5.064 -4.522 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.450 2.291 -4.228 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.930 4.780 -2.543 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.181 2.356 -1.944 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.594 3.634 -2.991 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.592 3.260 -0.696 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.741 3.157 -2.052 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.531 1.875 -1.812 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.897 4.035 -0.642 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.004 5.317 -1.189 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.600 4.020 -0.126 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.074 4.307 -4.470 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.528 4.297 -4.800 1.00 0.17 C ATOM 1562 C ASN A 102 -13.738 3.732 -6.207 1.00 0.18 C ATOM 1563 O ASN A 102 -14.833 3.357 -6.578 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.067 5.729 -4.741 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.581 5.719 -4.964 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.050 5.322 -6.013 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.371 6.146 -4.016 1.00 1.03 N ATOM 0 H ASN A 102 -11.681 5.228 -4.275 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.058 3.672 -4.081 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.835 6.176 -3.774 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.582 6.342 -5.500 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.381 6.146 -4.156 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.978 6.479 -3.136 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.702 3.680 -6.996 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.844 3.153 -8.386 1.00 0.18 C ATOM 1576 C GLU A 103 -12.952 1.623 -8.371 1.00 0.19 C ATOM 1577 O GLU A 103 -13.883 1.052 -8.904 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.612 3.563 -9.209 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.936 3.490 -10.704 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.765 4.710 -11.114 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.258 5.813 -10.991 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -13.891 4.521 -11.542 1.00 2.01 O ATOM 0 H GLU A 103 -11.761 3.979 -6.740 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.749 3.567 -8.830 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.307 4.575 -8.943 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.774 2.906 -8.977 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.014 3.454 -11.284 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.486 2.575 -10.922 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.989 0.957 -7.790 1.00 0.17 N ATOM 1590 CA LEU A 104 -12.007 -0.539 -7.765 1.00 0.19 C ATOM 1591 C LEU A 104 -12.642 -1.056 -6.469 1.00 0.19 C ATOM 1592 O LEU A 104 -12.580 -2.233 -6.172 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.567 -1.048 -7.867 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.837 -0.325 -9.005 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.392 -0.822 -9.074 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.543 -0.612 -10.337 1.00 0.35 C ATOM 0 H LEU A 104 -11.186 1.385 -7.329 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.600 -0.902 -8.604 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -10.045 -0.881 -6.925 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.564 -2.123 -8.047 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.846 0.749 -8.818 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.869 -0.310 -9.882 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.890 -0.615 -8.129 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.385 -1.896 -9.260 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.022 -0.097 -11.144 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.537 -1.685 -10.528 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.573 -0.258 -10.287 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.256 -0.204 -5.693 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.887 -0.687 -4.429 1.00 0.22 C ATOM 1610 C VAL A 105 -15.017 -1.662 -4.769 1.00 0.26 C ATOM 1611 O VAL A 105 -15.715 -1.415 -5.737 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.453 0.496 -3.635 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.603 1.139 -4.412 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -14.966 -0.001 -2.282 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.161 -2.642 -4.055 1.00 1.18 O ATOM 0 H VAL A 105 -13.348 0.795 -5.876 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.134 -1.191 -3.823 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.668 1.236 -3.480 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.002 1.979 -3.843 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.237 1.494 -5.376 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.391 0.403 -4.572 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.369 0.838 -1.715 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.750 -0.742 -2.440 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.145 -0.454 -1.726 1.00 0.27 H new ATOM 1692 N ARG B 4 18.259 3.270 -1.858 1.00 0.00 N ATOM 1693 CA ARG B 4 17.965 2.443 -3.068 1.00 0.00 C ATOM 1694 C ARG B 4 17.835 3.379 -4.283 1.00 0.00 C ATOM 1695 O ARG B 4 18.785 3.584 -5.011 1.00 0.00 O ATOM 1696 CB ARG B 4 16.656 1.636 -2.833 1.00 0.00 C ATOM 1697 CG ARG B 4 16.886 0.121 -3.032 1.00 0.00 C ATOM 1698 CD ARG B 4 17.610 -0.167 -4.375 1.00 0.00 C ATOM 1699 NE ARG B 4 16.879 -1.225 -5.143 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.502 -2.338 -4.571 1.00 0.00 C ATOM 1701 NH1 ARG B 4 16.808 -2.577 -3.326 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.831 -3.222 -5.257 1.00 0.00 N ATOM 0 HA ARG B 4 18.770 1.733 -3.257 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.289 1.821 -1.823 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.885 1.982 -3.521 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.479 -0.271 -2.205 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.929 -0.400 -3.013 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.669 0.746 -4.967 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.633 -0.489 -4.183 1.00 0.00 H new ATOM 0 HE ARG B 4 16.672 -1.074 -6.130 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.345 -1.893 -2.792 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.511 -3.448 -2.886 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.603 -3.043 -6.235 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.534 -4.092 -4.815 1.00 0.00 H new ATOM 1716 N TYR B 5 16.670 3.953 -4.499 1.00 0.00 N ATOM 1717 CA TYR B 5 16.480 4.887 -5.660 1.00 0.00 C ATOM 1718 C TYR B 5 15.832 6.194 -5.187 1.00 0.00 C ATOM 1719 O TYR B 5 15.657 6.427 -4.007 1.00 0.00 O ATOM 1720 CB TYR B 5 15.639 4.220 -6.766 1.00 0.00 C ATOM 1721 CG TYR B 5 14.542 3.364 -6.185 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.811 2.034 -5.823 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.250 3.885 -6.038 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.787 1.223 -5.300 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.220 3.078 -5.519 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.490 1.746 -5.146 1.00 0.00 C ATOM 1727 OH TYR B 5 11.486 0.955 -4.632 1.00 0.00 O ATOM 0 H TYR B 5 15.842 3.814 -3.920 1.00 0.00 H new ATOM 0 HA TYR B 5 17.457 5.122 -6.082 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.203 4.987 -7.406 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.284 3.608 -7.396 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.806 1.633 -5.946 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.044 4.906 -6.323 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.996 0.202 -5.018 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.224 3.479 -5.407 1.00 0.00 H new ATOM 0 HH TYR B 5 11.796 0.027 -4.578 1.00 0.00 H new ATOM 1737 N VAL B 6 15.536 7.070 -6.108 1.00 0.00 N ATOM 1738 CA VAL B 6 14.963 8.403 -5.747 1.00 0.00 C ATOM 1739 C VAL B 6 13.527 8.311 -5.231 1.00 0.00 C ATOM 1740 O VAL B 6 12.728 7.515 -5.688 1.00 0.00 O ATOM 1741 CB VAL B 6 14.958 9.292 -6.988 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.675 10.735 -6.583 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.316 9.220 -7.676 1.00 0.00 C ATOM 0 H VAL B 6 15.668 6.919 -7.108 1.00 0.00 H new ATOM 0 HA VAL B 6 15.584 8.813 -4.951 1.00 0.00 H new ATOM 0 HB VAL B 6 14.184 8.946 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.672 11.368 -7.470 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.703 10.792 -6.094 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.448 11.078 -5.895 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.309 9.856 -8.562 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.090 9.562 -6.989 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.521 8.191 -7.970 1.00 0.00 H new ATOM 1753 N CYS B 7 13.188 9.179 -4.307 1.00 0.00 N ATOM 1754 CA CYS B 7 11.798 9.224 -3.772 1.00 0.00 C ATOM 1755 C CYS B 7 11.077 10.386 -4.451 1.00 0.00 C ATOM 1756 O CYS B 7 11.197 11.522 -4.039 1.00 0.00 O ATOM 1757 CB CYS B 7 11.810 9.452 -2.252 1.00 0.00 C ATOM 1758 SG CYS B 7 13.150 8.510 -1.483 1.00 0.00 S ATOM 0 H CYS B 7 13.825 9.863 -3.899 1.00 0.00 H new ATOM 0 HA CYS B 7 11.294 8.278 -3.971 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.934 10.514 -2.038 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.853 9.150 -1.825 1.00 0.00 H new ATOM 1763 N GLU B 8 10.347 10.124 -5.500 1.00 0.00 N ATOM 1764 CA GLU B 8 9.650 11.238 -6.205 1.00 0.00 C ATOM 1765 C GLU B 8 8.329 11.562 -5.504 1.00 0.00 C ATOM 1766 O GLU B 8 7.302 11.765 -6.132 1.00 0.00 O ATOM 1767 CB GLU B 8 9.386 10.849 -7.661 1.00 0.00 C ATOM 1768 CG GLU B 8 8.951 9.383 -7.737 1.00 0.00 C ATOM 1769 CD GLU B 8 8.298 9.114 -9.096 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.953 9.342 -10.100 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.157 8.684 -9.108 1.00 0.00 O ATOM 0 H GLU B 8 10.203 9.196 -5.897 1.00 0.00 H new ATOM 0 HA GLU B 8 10.287 12.122 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.612 11.490 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.286 11.002 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.812 8.729 -7.600 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.249 9.159 -6.934 1.00 0.00 H new ATOM 1778 N GLY B 9 8.357 11.650 -4.209 1.00 0.00 N ATOM 1779 CA GLY B 9 7.122 12.006 -3.469 1.00 0.00 C ATOM 1780 C GLY B 9 6.837 13.493 -3.750 1.00 0.00 C ATOM 1781 O GLY B 9 6.906 13.898 -4.894 1.00 0.00 O ATOM 0 H GLY B 9 9.182 11.491 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.286 11.386 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.250 11.834 -2.400 1.00 0.00 H new ATOM 1785 N PRO B 10 6.549 14.291 -2.738 1.00 0.00 N ATOM 1786 CA PRO B 10 6.300 15.727 -2.964 1.00 0.00 C ATOM 1787 C PRO B 10 7.602 16.394 -3.439 1.00 0.00 C ATOM 1788 O PRO B 10 7.788 17.586 -3.301 1.00 0.00 O ATOM 1789 CB PRO B 10 5.852 16.276 -1.587 1.00 0.00 C ATOM 1790 CG PRO B 10 5.936 15.102 -0.568 1.00 0.00 C ATOM 1791 CD PRO B 10 6.433 13.858 -1.333 1.00 0.00 C ATOM 0 HA PRO B 10 5.545 15.920 -3.727 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.493 17.101 -1.276 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.835 16.665 -1.641 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.618 15.349 0.246 1.00 0.00 H new ATOM 0 HG3 PRO B 10 4.960 14.912 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.392 13.515 -0.946 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.733 13.028 -1.233 1.00 0.00 H new ATOM 1799 N SER B 11 8.500 15.624 -3.994 1.00 0.00 N ATOM 1800 CA SER B 11 9.788 16.188 -4.475 1.00 0.00 C ATOM 1801 C SER B 11 9.602 16.742 -5.888 1.00 0.00 C ATOM 1802 O SER B 11 9.973 17.860 -6.182 1.00 0.00 O ATOM 1803 CB SER B 11 10.847 15.080 -4.490 1.00 0.00 C ATOM 1804 OG SER B 11 12.122 15.653 -4.749 1.00 0.00 O ATOM 0 H SER B 11 8.392 14.619 -4.134 1.00 0.00 H new ATOM 0 HA SER B 11 10.111 16.991 -3.813 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.858 14.558 -3.533 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.606 14.341 -5.254 1.00 0.00 H new ATOM 0 HG SER B 11 12.802 14.947 -4.758 1.00 0.00 H new