USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 440 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.7 K(o=-1.7,f=-0.84) USER MOD Single : A 37 TYR OH : rot -71:sc= 0.303 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.54) USER MOD Single : A 52 TYR OH : rot -24:sc= 0.656 USER MOD Single : A 55 MET CE :methyl -164:sc= -0.383 (180deg=-0.851) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 3 5.844 -0.544 -0.144 1.00 0.00 N ATOM 34 CA ALA A 3 4.576 -1.245 -0.214 1.00 0.00 C ATOM 35 C ALA A 3 4.388 -1.590 -1.688 1.00 0.00 C ATOM 36 O ALA A 3 4.930 -0.922 -2.561 1.00 0.00 O ATOM 37 CB ALA A 3 3.536 -0.269 0.348 1.00 0.00 C ATOM 0 HA ALA A 3 4.501 -2.170 0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.551 -0.734 0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.794 -0.015 1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.523 0.637 -0.257 1.00 0.00 H new ATOM 43 N ILE A 4 3.601 -2.660 -1.916 1.00 0.00 N ATOM 44 CA ILE A 4 3.458 -3.109 -3.292 1.00 0.00 C ATOM 45 C ILE A 4 2.130 -3.845 -3.455 1.00 0.00 C ATOM 46 O ILE A 4 1.759 -4.695 -2.653 1.00 0.00 O ATOM 47 CB ILE A 4 4.577 -4.139 -3.592 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.004 -3.649 -3.244 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.527 -4.626 -5.055 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.110 -4.659 -3.569 1.00 0.00 C ATOM 0 H ILE A 4 3.091 -3.191 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 4 3.509 -2.247 -3.957 1.00 0.00 H new ATOM 0 HB ILE A 4 4.367 -4.975 -2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.201 -2.724 -3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.045 -3.411 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.327 -5.347 -5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.564 -5.100 -5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.654 -3.776 -5.726 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.078 -4.239 -3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.941 -5.577 -3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.099 -4.880 -4.636 1.00 0.00 H new ATOM 62 N ALA A 5 1.462 -3.463 -4.557 1.00 0.00 N ATOM 63 CA ALA A 5 0.211 -4.113 -4.889 1.00 0.00 C ATOM 64 C ALA A 5 0.479 -5.599 -5.267 1.00 0.00 C ATOM 65 O ALA A 5 1.277 -5.911 -6.141 1.00 0.00 O ATOM 66 CB ALA A 5 -0.325 -3.365 -6.105 1.00 0.00 C ATOM 0 H ALA A 5 1.763 -2.734 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.492 -4.097 -4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.274 -3.804 -6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.477 -2.316 -5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.392 -3.439 -6.923 1.00 0.00 H new ATOM 72 N LYS A 6 -0.302 -6.475 -4.613 1.00 0.00 N ATOM 73 CA LYS A 6 -0.216 -7.930 -4.787 1.00 0.00 C ATOM 74 C LYS A 6 -1.266 -8.452 -5.773 1.00 0.00 C ATOM 75 O LYS A 6 -1.084 -9.477 -6.403 1.00 0.00 O ATOM 76 CB LYS A 6 -0.497 -8.612 -3.437 1.00 0.00 C ATOM 77 CG LYS A 6 0.636 -8.400 -2.449 1.00 0.00 C ATOM 78 CD LYS A 6 1.583 -9.605 -2.417 1.00 0.00 C ATOM 79 CE LYS A 6 2.107 -10.007 -3.795 1.00 0.00 C ATOM 80 NZ LYS A 6 3.013 -11.147 -3.732 1.00 0.00 N ATOM 0 H LYS A 6 -1.016 -6.188 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 6 0.781 -8.153 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.423 -8.219 -3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.647 -9.680 -3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.194 -7.504 -2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.226 -8.231 -1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.429 -9.375 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.063 -10.454 -1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.266 -10.250 -4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.624 -9.160 -4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.342 -11.382 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.830 -10.909 -3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.514 -11.965 -3.327 1.00 0.00 H new ATOM 94 N TYR A 7 -2.371 -7.680 -5.835 1.00 0.00 N ATOM 95 CA TYR A 7 -3.489 -8.022 -6.728 1.00 0.00 C ATOM 96 C TYR A 7 -4.032 -6.706 -7.287 1.00 0.00 C ATOM 97 O TYR A 7 -3.632 -5.627 -6.866 1.00 0.00 O ATOM 98 CB TYR A 7 -4.606 -8.793 -5.979 1.00 0.00 C ATOM 99 CG TYR A 7 -4.160 -10.150 -5.482 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.389 -10.257 -4.330 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.488 -11.316 -6.171 1.00 0.00 C ATOM 102 CE1 TYR A 7 -2.914 -11.490 -3.893 1.00 0.00 C ATOM 103 CE2 TYR A 7 -4.057 -12.563 -5.728 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.260 -12.661 -4.578 1.00 0.00 C ATOM 105 OH TYR A 7 -2.785 -13.890 -4.130 1.00 0.00 O ATOM 0 H TYR A 7 -2.509 -6.831 -5.286 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.141 -8.678 -7.526 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.946 -8.196 -5.132 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.461 -8.919 -6.644 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.155 -9.367 -3.764 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.088 -11.251 -7.066 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.277 -11.544 -3.023 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.336 -13.455 -6.269 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.118 -14.602 -4.715 1.00 0.00 H new ATOM 115 N ASP A 8 -4.933 -6.843 -8.282 1.00 0.00 N ATOM 116 CA ASP A 8 -5.506 -5.636 -8.888 1.00 0.00 C ATOM 117 C ASP A 8 -6.501 -5.018 -7.892 1.00 0.00 C ATOM 118 O ASP A 8 -7.131 -5.749 -7.150 1.00 0.00 O ATOM 119 CB ASP A 8 -6.191 -5.998 -10.209 1.00 0.00 C ATOM 120 CG ASP A 8 -6.050 -4.837 -11.201 1.00 0.00 C ATOM 121 OD1 ASP A 8 -5.039 -4.791 -11.901 1.00 0.00 O ATOM 122 OD2 ASP A 8 -6.944 -3.995 -11.260 1.00 0.00 O ATOM 0 H ASP A 8 -5.263 -7.730 -8.663 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.726 -4.907 -9.108 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.744 -6.901 -10.626 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.245 -6.215 -10.036 1.00 0.00 H new ATOM 127 N PHE A 9 -6.559 -3.674 -7.824 1.00 0.00 N ATOM 128 CA PHE A 9 -7.552 -3.080 -6.899 1.00 0.00 C ATOM 129 C PHE A 9 -8.090 -1.753 -7.441 1.00 0.00 C ATOM 130 O PHE A 9 -7.349 -0.829 -7.732 1.00 0.00 O ATOM 131 CB PHE A 9 -6.945 -2.844 -5.504 1.00 0.00 C ATOM 132 CG PHE A 9 -8.014 -2.638 -4.462 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.785 -3.735 -4.108 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.313 -1.385 -3.902 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.867 -3.602 -3.260 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.417 -1.246 -3.053 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.197 -2.363 -2.739 1.00 0.00 C ATOM 0 H PHE A 9 -5.981 -3.019 -8.351 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.373 -3.792 -6.816 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.326 -3.697 -5.227 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.292 -1.972 -5.533 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.535 -4.709 -4.502 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.692 -0.530 -4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.458 -4.468 -3.002 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.666 -0.279 -2.642 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.055 -2.259 -2.091 1.00 0.00 H new ATOM 147 N LYS A 10 -9.437 -1.716 -7.487 1.00 0.00 N ATOM 148 CA LYS A 10 -10.156 -0.538 -7.968 1.00 0.00 C ATOM 149 C LYS A 10 -10.983 0.037 -6.790 1.00 0.00 C ATOM 150 O LYS A 10 -11.859 -0.631 -6.257 1.00 0.00 O ATOM 151 CB LYS A 10 -10.977 -0.912 -9.209 1.00 0.00 C ATOM 152 CG LYS A 10 -12.188 -1.806 -8.918 1.00 0.00 C ATOM 153 CD LYS A 10 -13.488 -0.993 -8.847 1.00 0.00 C ATOM 154 CE LYS A 10 -14.594 -1.650 -8.016 1.00 0.00 C ATOM 155 NZ LYS A 10 -15.253 -2.766 -8.689 1.00 0.00 N ATOM 0 H LYS A 10 -10.038 -2.487 -7.197 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.483 0.254 -8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.323 0.003 -9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.327 -1.421 -9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.275 -2.565 -9.695 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.035 -2.331 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.267 -0.012 -8.427 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.858 -0.830 -9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.168 -2.004 -7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.341 -0.898 -7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.988 -3.160 -8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.689 -2.431 -9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.552 -3.503 -8.907 1.00 0.00 H new ATOM 169 N ALA A 11 -10.663 1.304 -6.421 1.00 0.00 N ATOM 170 CA ALA A 11 -11.327 1.978 -5.282 1.00 0.00 C ATOM 171 C ALA A 11 -12.860 1.861 -5.350 1.00 0.00 C ATOM 172 O ALA A 11 -13.459 1.749 -6.412 1.00 0.00 O ATOM 173 CB ALA A 11 -10.934 3.453 -5.132 1.00 0.00 C ATOM 0 H ALA A 11 -9.958 1.871 -6.891 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.968 1.448 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.457 3.884 -4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.858 3.529 -4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.207 3.996 -6.037 1.00 0.00 H new ATOM 179 N THR A 12 -13.425 1.891 -4.126 1.00 0.00 N ATOM 180 CA THR A 12 -14.866 1.773 -3.925 1.00 0.00 C ATOM 181 C THR A 12 -15.459 3.012 -3.198 1.00 0.00 C ATOM 182 O THR A 12 -16.671 3.194 -3.158 1.00 0.00 O ATOM 183 CB THR A 12 -15.221 0.393 -3.298 1.00 0.00 C ATOM 184 OG1 THR A 12 -15.836 0.446 -1.976 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.060 -0.651 -3.468 1.00 0.00 C ATOM 0 H THR A 12 -12.893 1.997 -3.262 1.00 0.00 H new ATOM 0 HA THR A 12 -15.365 1.784 -4.894 1.00 0.00 H new ATOM 0 HB THR A 12 -16.045 0.003 -3.895 1.00 0.00 H new ATOM 0 HG1 THR A 12 -16.024 -0.464 -1.666 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.353 -1.598 -3.015 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.859 -0.802 -4.529 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.161 -0.278 -2.978 1.00 0.00 H new ATOM 193 N ALA A 13 -14.552 3.870 -2.668 1.00 0.00 N ATOM 194 CA ALA A 13 -14.995 5.083 -1.980 1.00 0.00 C ATOM 195 C ALA A 13 -13.916 6.161 -2.057 1.00 0.00 C ATOM 196 O ALA A 13 -12.748 5.937 -2.346 1.00 0.00 O ATOM 197 CB ALA A 13 -15.472 4.845 -0.533 1.00 0.00 C ATOM 0 H ALA A 13 -13.541 3.741 -2.707 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.881 5.434 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.783 5.792 -0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.313 4.152 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.657 4.422 0.054 1.00 0.00 H new ATOM 203 N ASP A 14 -14.457 7.339 -1.722 1.00 0.00 N ATOM 204 CA ASP A 14 -13.821 8.647 -1.673 1.00 0.00 C ATOM 205 C ASP A 14 -12.458 8.678 -0.931 1.00 0.00 C ATOM 206 O ASP A 14 -11.558 9.404 -1.332 1.00 0.00 O ATOM 207 CB ASP A 14 -14.879 9.551 -1.002 1.00 0.00 C ATOM 208 CG ASP A 14 -15.691 10.376 -2.027 1.00 0.00 C ATOM 209 OD1 ASP A 14 -15.097 11.191 -2.735 1.00 0.00 O ATOM 210 OD2 ASP A 14 -16.907 10.203 -2.107 1.00 0.00 O ATOM 0 H ASP A 14 -15.440 7.398 -1.456 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.544 8.981 -2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.560 8.934 -0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.384 10.228 -0.306 1.00 0.00 H new ATOM 215 N ASP A 15 -12.331 7.848 0.133 1.00 0.00 N ATOM 216 CA ASP A 15 -11.087 7.840 0.925 1.00 0.00 C ATOM 217 C ASP A 15 -10.040 6.779 0.501 1.00 0.00 C ATOM 218 O ASP A 15 -8.950 6.703 1.052 1.00 0.00 O ATOM 219 CB ASP A 15 -11.484 7.744 2.397 1.00 0.00 C ATOM 220 CG ASP A 15 -12.230 6.462 2.820 1.00 0.00 C ATOM 221 OD1 ASP A 15 -13.409 6.321 2.489 1.00 0.00 O ATOM 222 OD2 ASP A 15 -11.632 5.637 3.509 1.00 0.00 O ATOM 0 H ASP A 15 -13.050 7.198 0.451 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.551 8.770 0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.581 7.830 3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.112 8.601 2.639 1.00 0.00 H new ATOM 227 N GLU A 16 -10.426 6.031 -0.544 1.00 0.00 N ATOM 228 CA GLU A 16 -9.617 4.967 -1.145 1.00 0.00 C ATOM 229 C GLU A 16 -9.186 5.361 -2.576 1.00 0.00 C ATOM 230 O GLU A 16 -9.862 6.095 -3.287 1.00 0.00 O ATOM 231 CB GLU A 16 -10.437 3.660 -1.266 1.00 0.00 C ATOM 232 CG GLU A 16 -10.446 2.776 -0.004 1.00 0.00 C ATOM 233 CD GLU A 16 -11.405 3.264 1.090 1.00 0.00 C ATOM 234 OE1 GLU A 16 -12.267 4.091 0.801 1.00 0.00 O ATOM 235 OE2 GLU A 16 -11.288 2.787 2.216 1.00 0.00 O ATOM 0 H GLU A 16 -11.329 6.154 -1.002 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.749 4.819 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.466 3.917 -1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.041 3.076 -2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.720 1.759 -0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.436 2.733 0.404 1.00 0.00 H new ATOM 242 N LEU A 17 -8.050 4.743 -2.970 1.00 0.00 N ATOM 243 CA LEU A 17 -7.489 4.933 -4.321 1.00 0.00 C ATOM 244 C LEU A 17 -7.080 3.573 -4.913 1.00 0.00 C ATOM 245 O LEU A 17 -6.778 2.611 -4.219 1.00 0.00 O ATOM 246 CB LEU A 17 -6.431 6.056 -4.391 1.00 0.00 C ATOM 247 CG LEU A 17 -5.025 5.767 -3.834 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.172 4.868 -4.723 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.246 7.069 -3.706 1.00 0.00 C ATOM 0 H LEU A 17 -7.510 4.114 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.265 5.321 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.322 6.346 -5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.828 6.921 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.199 5.266 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.198 4.715 -4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.669 3.906 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.039 5.340 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.251 6.861 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.157 7.537 -4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.771 7.742 -3.029 1.00 0.00 H new ATOM 261 N SER A 18 -7.086 3.606 -6.262 1.00 0.00 N ATOM 262 CA SER A 18 -6.802 2.458 -7.115 1.00 0.00 C ATOM 263 C SER A 18 -5.288 2.205 -7.310 1.00 0.00 C ATOM 264 O SER A 18 -4.421 3.022 -7.030 1.00 0.00 O ATOM 265 CB SER A 18 -7.321 2.837 -8.546 1.00 0.00 C ATOM 266 OG SER A 18 -8.775 2.974 -8.862 1.00 0.00 O ATOM 0 H SER A 18 -7.294 4.454 -6.789 1.00 0.00 H new ATOM 0 HA SER A 18 -7.260 1.582 -6.656 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.855 3.787 -8.805 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.922 2.089 -9.231 1.00 0.00 H new ATOM 0 HG SER A 18 -8.883 3.216 -9.805 1.00 0.00 H new ATOM 272 N PHE A 19 -5.084 0.985 -7.853 1.00 0.00 N ATOM 273 CA PHE A 19 -3.790 0.469 -8.294 1.00 0.00 C ATOM 274 C PHE A 19 -4.060 -0.735 -9.190 1.00 0.00 C ATOM 275 O PHE A 19 -5.194 -1.076 -9.505 1.00 0.00 O ATOM 276 CB PHE A 19 -2.841 0.065 -7.143 1.00 0.00 C ATOM 277 CG PHE A 19 -3.420 -0.833 -6.063 1.00 0.00 C ATOM 278 CD1 PHE A 19 -4.041 -0.275 -4.951 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.294 -2.224 -6.106 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.486 -1.073 -3.909 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.706 -3.015 -5.037 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.298 -2.446 -3.925 1.00 0.00 C ATOM 0 H PHE A 19 -5.844 0.320 -7.996 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.274 1.271 -8.822 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.976 -0.438 -7.576 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.475 0.976 -6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.178 0.795 -4.899 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.870 -2.693 -6.982 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.989 -0.617 -3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.562 -4.085 -5.077 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.606 -3.056 -3.089 1.00 0.00 H new ATOM 292 N LYS A 20 -2.927 -1.334 -9.577 1.00 0.00 N ATOM 293 CA LYS A 20 -2.917 -2.496 -10.423 1.00 0.00 C ATOM 294 C LYS A 20 -1.829 -3.398 -9.862 1.00 0.00 C ATOM 295 O LYS A 20 -0.796 -2.921 -9.415 1.00 0.00 O ATOM 296 CB LYS A 20 -2.627 -2.087 -11.878 1.00 0.00 C ATOM 297 CG LYS A 20 -3.723 -1.205 -12.525 1.00 0.00 C ATOM 298 CD LYS A 20 -3.261 0.212 -12.928 1.00 0.00 C ATOM 299 CE LYS A 20 -3.944 1.355 -12.165 1.00 0.00 C ATOM 300 NZ LYS A 20 -5.369 1.472 -12.467 1.00 0.00 N ATOM 0 H LYS A 20 -1.999 -1.013 -9.303 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.878 -3.011 -10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.679 -1.549 -11.909 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.502 -2.988 -12.478 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.102 -1.714 -13.411 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.556 -1.116 -11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.184 0.285 -12.775 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.441 0.348 -13.994 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.817 1.196 -11.094 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.448 2.295 -12.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.776 2.260 -11.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.495 1.652 -13.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.852 0.588 -12.209 1.00 0.00 H new ATOM 314 N ARG A 21 -2.108 -4.708 -9.932 1.00 0.00 N ATOM 315 CA ARG A 21 -1.169 -5.716 -9.434 1.00 0.00 C ATOM 316 C ARG A 21 0.299 -5.464 -9.906 1.00 0.00 C ATOM 317 O ARG A 21 0.675 -5.839 -11.011 1.00 0.00 O ATOM 318 CB ARG A 21 -1.673 -7.070 -9.945 1.00 0.00 C ATOM 319 CG ARG A 21 -0.824 -8.273 -9.495 1.00 0.00 C ATOM 320 CD ARG A 21 -0.232 -9.052 -10.672 1.00 0.00 C ATOM 321 NE ARG A 21 -1.318 -9.738 -11.376 1.00 0.00 N ATOM 322 CZ ARG A 21 -1.822 -9.371 -12.575 1.00 0.00 C ATOM 323 NH1 ARG A 21 -1.260 -8.418 -13.311 1.00 0.00 N ATOM 324 NH2 ARG A 21 -2.907 -9.984 -13.026 1.00 0.00 N ATOM 0 H ARG A 21 -2.969 -5.089 -10.325 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.135 -5.678 -8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.698 -7.215 -9.603 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.700 -7.047 -11.034 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.016 -7.922 -8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.440 -8.943 -8.894 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.289 -8.375 -11.349 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.503 -9.774 -10.316 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.726 -10.557 -10.926 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.424 -7.940 -12.975 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.665 -8.164 -14.212 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.346 -10.718 -12.470 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.303 -9.722 -13.929 1.00 0.00 H new ATOM 338 N GLY A 22 1.089 -4.844 -8.995 1.00 0.00 N ATOM 339 CA GLY A 22 2.495 -4.546 -9.261 1.00 0.00 C ATOM 340 C GLY A 22 2.938 -3.106 -8.950 1.00 0.00 C ATOM 341 O GLY A 22 4.134 -2.838 -8.941 1.00 0.00 O ATOM 0 H GLY A 22 0.765 -4.546 -8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.110 -5.231 -8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.699 -4.751 -10.312 1.00 0.00 H new ATOM 345 N ASP A 23 1.961 -2.181 -8.731 1.00 0.00 N ATOM 346 CA ASP A 23 2.343 -0.798 -8.428 1.00 0.00 C ATOM 347 C ASP A 23 3.308 -0.697 -7.234 1.00 0.00 C ATOM 348 O ASP A 23 3.189 -1.405 -6.242 1.00 0.00 O ATOM 349 CB ASP A 23 1.124 0.091 -8.136 1.00 0.00 C ATOM 350 CG ASP A 23 0.579 0.702 -9.448 1.00 0.00 C ATOM 351 OD1 ASP A 23 1.147 1.691 -9.908 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.395 0.191 -9.994 1.00 0.00 O ATOM 0 H ASP A 23 0.958 -2.366 -8.759 1.00 0.00 H new ATOM 0 HA ASP A 23 2.848 -0.444 -9.327 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.345 -0.496 -7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.403 0.886 -7.445 1.00 0.00 H new ATOM 357 N ILE A 24 4.200 0.309 -7.374 1.00 0.00 N ATOM 358 CA ILE A 24 5.166 0.622 -6.326 1.00 0.00 C ATOM 359 C ILE A 24 4.495 1.775 -5.568 1.00 0.00 C ATOM 360 O ILE A 24 4.257 2.853 -6.104 1.00 0.00 O ATOM 361 CB ILE A 24 6.556 0.988 -6.894 1.00 0.00 C ATOM 362 CG1 ILE A 24 7.150 -0.157 -7.745 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.537 1.403 -5.781 1.00 0.00 C ATOM 364 CD1 ILE A 24 7.036 -1.552 -7.114 1.00 0.00 C ATOM 0 H ILE A 24 4.262 0.906 -8.198 1.00 0.00 H new ATOM 0 HA ILE A 24 5.385 -0.226 -5.677 1.00 0.00 H new ATOM 0 HB ILE A 24 6.408 1.847 -7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.649 -0.169 -8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.202 0.057 -7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.502 1.652 -6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.143 2.272 -5.254 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.661 0.578 -5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.479 -2.291 -7.782 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.562 -1.564 -6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.985 -1.793 -6.952 1.00 0.00 H new ATOM 376 N LEU A 25 4.220 1.451 -4.289 1.00 0.00 N ATOM 377 CA LEU A 25 3.500 2.334 -3.372 1.00 0.00 C ATOM 378 C LEU A 25 4.390 2.873 -2.262 1.00 0.00 C ATOM 379 O LEU A 25 5.331 2.237 -1.806 1.00 0.00 O ATOM 380 CB LEU A 25 2.414 1.487 -2.698 1.00 0.00 C ATOM 381 CG LEU A 25 1.169 1.358 -3.575 1.00 0.00 C ATOM 382 CD1 LEU A 25 0.746 -0.104 -3.739 1.00 0.00 C ATOM 383 CD2 LEU A 25 0.025 2.178 -2.989 1.00 0.00 C ATOM 0 H LEU A 25 4.496 0.564 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 25 3.112 3.178 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.810 0.495 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.141 1.938 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 25 1.415 1.745 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.142 -0.157 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.555 -0.667 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.524 -0.530 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.856 2.078 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.206 1.816 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.318 3.227 -2.938 1.00 0.00 H new ATOM 395 N LYS A 26 3.990 4.107 -1.886 1.00 0.00 N ATOM 396 CA LYS A 26 4.636 4.855 -0.811 1.00 0.00 C ATOM 397 C LYS A 26 3.707 4.864 0.397 1.00 0.00 C ATOM 398 O LYS A 26 2.755 5.616 0.394 1.00 0.00 O ATOM 399 CB LYS A 26 5.019 6.270 -1.281 1.00 0.00 C ATOM 400 CG LYS A 26 6.500 6.603 -1.019 1.00 0.00 C ATOM 401 CD LYS A 26 6.714 8.086 -0.712 1.00 0.00 C ATOM 402 CE LYS A 26 6.160 8.488 0.666 1.00 0.00 C ATOM 403 NZ LYS A 26 7.221 8.824 1.610 1.00 0.00 N ATOM 0 H LYS A 26 3.213 4.602 -2.323 1.00 0.00 H new ATOM 0 HA LYS A 26 5.571 4.375 -0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.813 6.362 -2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.391 7.000 -0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.863 6.005 -0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.093 6.325 -1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.780 8.312 -0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.232 8.687 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.493 9.343 0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.563 7.669 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.801 9.088 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.844 8.001 1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.775 9.622 1.240 1.00 0.00 H new ATOM 417 N VAL A 27 4.009 4.114 1.483 1.00 0.00 N ATOM 418 CA VAL A 27 3.028 4.141 2.537 1.00 0.00 C ATOM 419 C VAL A 27 3.292 5.340 3.463 1.00 0.00 C ATOM 420 O VAL A 27 4.101 5.325 4.376 1.00 0.00 O ATOM 421 CB VAL A 27 3.167 2.805 3.272 1.00 0.00 C ATOM 422 CG1 VAL A 27 2.271 1.738 2.639 1.00 0.00 C ATOM 423 CG2 VAL A 27 4.607 2.302 3.473 1.00 0.00 C ATOM 0 H VAL A 27 4.842 3.544 1.629 1.00 0.00 H new ATOM 0 HA VAL A 27 2.012 4.261 2.160 1.00 0.00 H new ATOM 0 HB VAL A 27 2.822 3.007 4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.387 0.798 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.231 2.059 2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.556 1.595 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.589 1.350 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.084 2.168 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.169 3.031 4.056 1.00 0.00 H new ATOM 433 N LEU A 28 2.479 6.364 3.151 1.00 0.00 N ATOM 434 CA LEU A 28 2.494 7.621 3.883 1.00 0.00 C ATOM 435 C LEU A 28 1.407 7.535 4.957 1.00 0.00 C ATOM 436 O LEU A 28 0.239 7.747 4.663 1.00 0.00 O ATOM 437 CB LEU A 28 2.225 8.777 2.902 1.00 0.00 C ATOM 438 CG LEU A 28 2.010 10.150 3.573 1.00 0.00 C ATOM 439 CD1 LEU A 28 3.045 10.453 4.666 1.00 0.00 C ATOM 440 CD2 LEU A 28 1.999 11.270 2.524 1.00 0.00 C ATOM 0 H LEU A 28 1.802 6.335 2.389 1.00 0.00 H new ATOM 0 HA LEU A 28 3.459 7.804 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.064 8.852 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.343 8.535 2.308 1.00 0.00 H new ATOM 0 HG LEU A 28 1.038 10.105 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.840 11.432 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.986 9.692 5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.045 10.451 4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.846 12.230 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.952 11.282 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.191 11.095 1.813 1.00 0.00 H new ATOM 536 N ASN A 35 -6.292 -3.509 8.558 1.00 0.00 N ATOM 537 CA ASN A 35 -6.676 -3.962 7.250 1.00 0.00 C ATOM 538 C ASN A 35 -6.453 -2.953 6.115 1.00 0.00 C ATOM 539 O ASN A 35 -6.741 -3.302 4.987 1.00 0.00 O ATOM 540 CB ASN A 35 -8.160 -4.267 7.322 1.00 0.00 C ATOM 541 CG ASN A 35 -8.451 -5.585 8.046 1.00 0.00 C ATOM 542 OD1 ASN A 35 -8.989 -5.647 9.144 1.00 0.00 O ATOM 543 ND2 ASN A 35 -8.071 -6.622 7.304 1.00 0.00 N ATOM 0 HA ASN A 35 -6.048 -4.819 7.007 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.671 -3.453 7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.568 -4.312 6.312 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.222 -7.573 7.641 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.629 -6.466 6.398 1.00 0.00 H new ATOM 550 N TRP A 36 -6.150 -1.677 6.424 1.00 0.00 N ATOM 551 CA TRP A 36 -5.949 -0.659 5.384 1.00 0.00 C ATOM 552 C TRP A 36 -4.658 0.157 5.650 1.00 0.00 C ATOM 553 O TRP A 36 -4.174 0.239 6.770 1.00 0.00 O ATOM 554 CB TRP A 36 -7.215 0.225 5.260 1.00 0.00 C ATOM 555 CG TRP A 36 -8.419 -0.621 4.858 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.183 -1.429 5.713 1.00 0.00 C ATOM 557 CD2 TRP A 36 -8.981 -0.819 3.541 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.121 -2.095 5.007 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.035 -1.752 3.670 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.701 -0.305 2.304 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.748 -2.144 2.576 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.429 -0.688 1.179 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.460 -1.612 1.315 1.00 0.00 C ATOM 0 H TRP A 36 -6.041 -1.332 7.378 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.803 -1.146 4.420 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.413 0.722 6.209 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.049 1.007 4.519 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.041 -1.507 6.781 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.793 -2.753 5.401 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.900 0.412 2.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.540 -2.870 2.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.195 -0.271 0.211 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.034 -1.917 0.453 1.00 0.00 H new ATOM 574 N TYR A 37 -4.096 0.696 4.546 1.00 0.00 N ATOM 575 CA TYR A 37 -2.891 1.544 4.640 1.00 0.00 C ATOM 576 C TYR A 37 -3.108 2.786 3.793 1.00 0.00 C ATOM 577 O TYR A 37 -3.771 2.744 2.773 1.00 0.00 O ATOM 578 CB TYR A 37 -1.647 0.916 3.958 1.00 0.00 C ATOM 579 CG TYR A 37 -1.090 -0.262 4.667 1.00 0.00 C ATOM 580 CD1 TYR A 37 -0.884 -0.186 6.036 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.771 -1.419 3.970 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.395 -1.267 6.732 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.263 -2.507 4.644 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.067 -2.439 6.029 1.00 0.00 C ATOM 585 OH TYR A 37 0.422 -3.563 6.675 1.00 0.00 O ATOM 0 H TYR A 37 -4.450 0.562 3.599 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.733 1.706 5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.914 0.621 2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.870 1.676 3.875 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.110 0.731 6.561 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.921 -1.466 2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.265 -1.216 7.803 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.016 -3.410 4.106 1.00 0.00 H new ATOM 0 HH TYR A 37 1.335 -3.390 6.987 1.00 0.00 H new ATOM 595 N LYS A 38 -2.483 3.881 4.267 1.00 0.00 N ATOM 596 CA LYS A 38 -2.571 5.142 3.567 1.00 0.00 C ATOM 597 C LYS A 38 -1.261 5.244 2.763 1.00 0.00 C ATOM 598 O LYS A 38 -0.180 5.245 3.338 1.00 0.00 O ATOM 599 CB LYS A 38 -2.765 6.246 4.626 1.00 0.00 C ATOM 600 CG LYS A 38 -3.530 7.439 4.045 1.00 0.00 C ATOM 601 CD LYS A 38 -3.147 8.799 4.634 1.00 0.00 C ATOM 602 CE LYS A 38 -3.898 9.187 5.915 1.00 0.00 C ATOM 603 NZ LYS A 38 -3.822 10.628 6.164 1.00 0.00 N ATOM 0 H LYS A 38 -1.924 3.902 5.120 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.408 5.238 2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.308 5.843 5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.793 6.577 4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.367 7.467 2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.597 7.279 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.077 8.799 4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.324 9.567 3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.942 8.885 5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.477 8.647 6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.339 10.857 7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.826 10.910 6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.246 11.141 5.365 1.00 0.00 H new ATOM 617 N ALA A 39 -1.401 5.324 1.418 1.00 0.00 N ATOM 618 CA ALA A 39 -0.201 5.348 0.574 1.00 0.00 C ATOM 619 C ALA A 39 -0.344 6.308 -0.602 1.00 0.00 C ATOM 620 O ALA A 39 -1.419 6.845 -0.837 1.00 0.00 O ATOM 621 CB ALA A 39 0.060 3.923 0.070 1.00 0.00 C ATOM 0 H ALA A 39 -2.290 5.371 0.921 1.00 0.00 H new ATOM 0 HA ALA A 39 0.639 5.706 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.949 3.917 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.214 3.259 0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.797 3.579 -0.508 1.00 0.00 H new ATOM 627 N GLU A 40 0.797 6.488 -1.324 1.00 0.00 N ATOM 628 CA GLU A 40 0.798 7.410 -2.449 1.00 0.00 C ATOM 629 C GLU A 40 0.999 6.683 -3.785 1.00 0.00 C ATOM 630 O GLU A 40 1.888 5.861 -3.962 1.00 0.00 O ATOM 631 CB GLU A 40 1.869 8.477 -2.203 1.00 0.00 C ATOM 632 CG GLU A 40 1.982 9.506 -3.341 1.00 0.00 C ATOM 633 CD GLU A 40 2.868 10.685 -2.907 1.00 0.00 C ATOM 634 OE1 GLU A 40 2.503 11.373 -1.955 1.00 0.00 O ATOM 635 OE2 GLU A 40 3.915 10.894 -3.516 1.00 0.00 O ATOM 0 H GLU A 40 1.684 6.019 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.176 7.893 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.644 8.999 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.834 7.988 -2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.403 9.033 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.991 9.868 -3.613 1.00 0.00 H new ATOM 642 N LEU A 41 0.128 7.118 -4.727 1.00 0.00 N ATOM 643 CA LEU A 41 0.109 6.619 -6.100 1.00 0.00 C ATOM 644 C LEU A 41 -0.608 7.520 -7.089 1.00 0.00 C ATOM 645 O LEU A 41 -1.704 8.012 -6.862 1.00 0.00 O ATOM 646 CB LEU A 41 -0.813 5.391 -6.233 1.00 0.00 C ATOM 647 CG LEU A 41 -0.155 4.036 -6.020 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.274 3.038 -5.786 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.632 3.675 -7.291 1.00 0.00 C ATOM 0 H LEU A 41 -0.580 7.829 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 41 1.171 6.480 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.627 5.494 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.260 5.403 -7.227 1.00 0.00 H new ATOM 0 HG LEU A 41 0.531 4.038 -5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.850 2.046 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.846 3.333 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.931 3.017 -6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.112 2.705 -7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.050 3.629 -8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.392 4.434 -7.476 1.00 0.00 H new ATOM 661 N ASN A 42 0.088 7.601 -8.230 1.00 0.00 N ATOM 662 CA ASN A 42 -0.484 8.242 -9.402 1.00 0.00 C ATOM 663 C ASN A 42 -0.949 9.708 -9.234 1.00 0.00 C ATOM 664 O ASN A 42 -1.768 10.202 -9.998 1.00 0.00 O ATOM 665 CB ASN A 42 -1.618 7.261 -9.823 1.00 0.00 C ATOM 666 CG ASN A 42 -1.557 6.881 -11.297 1.00 0.00 C ATOM 667 OD1 ASN A 42 -1.989 7.591 -12.193 1.00 0.00 O ATOM 668 ND2 ASN A 42 -0.956 5.689 -11.450 1.00 0.00 N ATOM 0 H ASN A 42 1.031 7.235 -8.358 1.00 0.00 H new ATOM 0 HA ASN A 42 0.274 8.389 -10.171 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.553 6.357 -9.217 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.584 7.718 -9.611 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.826 5.300 -12.384 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.630 5.174 -10.632 1.00 0.00 H new ATOM 675 N GLY A 43 -0.380 10.358 -8.193 1.00 0.00 N ATOM 676 CA GLY A 43 -0.700 11.753 -7.882 1.00 0.00 C ATOM 677 C GLY A 43 -1.849 11.902 -6.877 1.00 0.00 C ATOM 678 O GLY A 43 -2.427 12.973 -6.737 1.00 0.00 O ATOM 0 H GLY A 43 0.299 9.933 -7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.189 12.242 -7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.963 12.272 -8.804 1.00 0.00 H new ATOM 682 N LYS A 44 -2.159 10.769 -6.204 1.00 0.00 N ATOM 683 CA LYS A 44 -3.208 10.684 -5.204 1.00 0.00 C ATOM 684 C LYS A 44 -2.658 9.924 -3.991 1.00 0.00 C ATOM 685 O LYS A 44 -1.626 9.273 -4.053 1.00 0.00 O ATOM 686 CB LYS A 44 -4.402 9.930 -5.808 1.00 0.00 C ATOM 687 CG LYS A 44 -5.173 10.763 -6.839 1.00 0.00 C ATOM 688 CD LYS A 44 -6.446 10.044 -7.294 1.00 0.00 C ATOM 689 CE LYS A 44 -7.100 10.690 -8.520 1.00 0.00 C ATOM 690 NZ LYS A 44 -7.907 9.726 -9.262 1.00 0.00 N ATOM 0 H LYS A 44 -1.671 9.886 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.533 11.677 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.046 9.015 -6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.080 9.633 -5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.433 11.730 -6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.536 10.960 -7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.207 9.006 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.162 10.032 -6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.726 11.524 -8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.329 11.100 -9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.336 10.194 -10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.303 8.943 -9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.657 9.354 -8.645 1.00 0.00 H new ATOM 704 N ASP A 45 -3.444 10.035 -2.908 1.00 0.00 N ATOM 705 CA ASP A 45 -3.128 9.377 -1.645 1.00 0.00 C ATOM 706 C ASP A 45 -4.463 8.877 -1.031 1.00 0.00 C ATOM 707 O ASP A 45 -5.438 9.614 -0.947 1.00 0.00 O ATOM 708 CB ASP A 45 -2.354 10.328 -0.717 1.00 0.00 C ATOM 709 CG ASP A 45 -3.081 11.664 -0.459 1.00 0.00 C ATOM 710 OD1 ASP A 45 -2.984 12.562 -1.295 1.00 0.00 O ATOM 711 OD2 ASP A 45 -3.729 11.801 0.579 1.00 0.00 O ATOM 0 H ASP A 45 -4.306 10.579 -2.890 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.471 8.521 -1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.178 9.829 0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.377 10.534 -1.154 1.00 0.00 H new ATOM 716 N GLY A 46 -4.473 7.581 -0.643 1.00 0.00 N ATOM 717 CA GLY A 46 -5.706 7.005 -0.092 1.00 0.00 C ATOM 718 C GLY A 46 -5.484 5.600 0.458 1.00 0.00 C ATOM 719 O GLY A 46 -4.393 5.044 0.378 1.00 0.00 O ATOM 0 H GLY A 46 -3.678 6.945 -0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.084 7.649 0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.470 6.974 -0.869 1.00 0.00 H new ATOM 723 N PHE A 47 -6.593 5.055 1.000 1.00 0.00 N ATOM 724 CA PHE A 47 -6.542 3.726 1.591 1.00 0.00 C ATOM 725 C PHE A 47 -6.556 2.587 0.547 1.00 0.00 C ATOM 726 O PHE A 47 -7.177 2.654 -0.507 1.00 0.00 O ATOM 727 CB PHE A 47 -7.690 3.588 2.604 1.00 0.00 C ATOM 728 CG PHE A 47 -7.444 4.488 3.787 1.00 0.00 C ATOM 729 CD1 PHE A 47 -6.418 4.230 4.692 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.234 5.608 3.983 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.184 5.076 5.765 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.002 6.464 5.042 1.00 0.00 C ATOM 733 CZ PHE A 47 -6.983 6.193 5.940 1.00 0.00 C ATOM 0 H PHE A 47 -7.505 5.509 1.035 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.585 3.622 2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.637 3.847 2.130 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.772 2.553 2.935 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.795 3.358 4.556 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.043 5.815 3.298 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.384 4.865 6.459 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.615 7.344 5.170 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.812 6.853 6.777 1.00 0.00 H new ATOM 743 N ILE A 48 -5.816 1.532 0.963 1.00 0.00 N ATOM 744 CA ILE A 48 -5.670 0.297 0.187 1.00 0.00 C ATOM 745 C ILE A 48 -5.691 -0.867 1.184 1.00 0.00 C ATOM 746 O ILE A 48 -5.115 -0.742 2.253 1.00 0.00 O ATOM 747 CB ILE A 48 -4.349 0.315 -0.606 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.112 0.424 0.315 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.381 1.429 -1.666 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.820 0.751 -0.428 1.00 0.00 C ATOM 0 H ILE A 48 -5.307 1.522 1.847 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.479 0.194 -0.536 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.254 -0.641 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.295 1.194 1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.985 -0.517 0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.442 1.432 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.208 1.253 -2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.516 2.393 -1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.996 0.811 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.612 -0.031 -1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.927 1.707 -0.941 1.00 0.00 H new ATOM 762 N PRO A 49 -6.291 -2.036 0.817 1.00 0.00 N ATOM 763 CA PRO A 49 -6.358 -3.132 1.780 1.00 0.00 C ATOM 764 C PRO A 49 -5.047 -3.908 2.026 1.00 0.00 C ATOM 765 O PRO A 49 -4.276 -4.148 1.107 1.00 0.00 O ATOM 766 CB PRO A 49 -7.482 -4.025 1.256 1.00 0.00 C ATOM 767 CG PRO A 49 -7.710 -3.657 -0.214 1.00 0.00 C ATOM 768 CD PRO A 49 -6.914 -2.383 -0.481 1.00 0.00 C ATOM 0 HA PRO A 49 -6.547 -2.734 2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.213 -5.077 1.351 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.393 -3.875 1.835 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.380 -4.463 -0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.770 -3.499 -0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.158 -2.544 -1.250 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.562 -1.581 -0.834 1.00 0.00 H new ATOM 776 N LYS A 50 -4.941 -4.437 3.279 1.00 0.00 N ATOM 777 CA LYS A 50 -3.757 -5.204 3.650 1.00 0.00 C ATOM 778 C LYS A 50 -3.660 -6.508 2.849 1.00 0.00 C ATOM 779 O LYS A 50 -2.597 -6.793 2.328 1.00 0.00 O ATOM 780 CB LYS A 50 -4.026 -5.721 5.082 1.00 0.00 C ATOM 781 CG LYS A 50 -3.428 -4.872 6.183 1.00 0.00 C ATOM 782 CD LYS A 50 -1.967 -5.178 6.508 1.00 0.00 C ATOM 783 CE LYS A 50 -1.685 -6.570 7.091 1.00 0.00 C ATOM 784 NZ LYS A 50 -1.860 -6.616 8.538 1.00 0.00 N ATOM 0 H LYS A 50 -5.644 -4.342 4.012 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.878 -4.576 3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.103 -5.784 5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.632 -6.734 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.510 -3.823 5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.022 -5.004 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.381 -5.062 5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.608 -4.430 7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.350 -7.297 6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.666 -6.865 6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.658 -7.577 8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.208 -5.943 8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.840 -6.362 8.777 1.00 0.00 H new ATOM 798 N ASN A 51 -4.774 -7.256 2.715 1.00 0.00 N ATOM 799 CA ASN A 51 -4.623 -8.517 1.965 1.00 0.00 C ATOM 800 C ASN A 51 -4.348 -8.330 0.452 1.00 0.00 C ATOM 801 O ASN A 51 -3.927 -9.276 -0.203 1.00 0.00 O ATOM 802 CB ASN A 51 -5.684 -9.567 2.318 1.00 0.00 C ATOM 803 CG ASN A 51 -7.134 -9.077 2.411 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.701 -8.980 3.490 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.707 -8.787 1.242 1.00 0.00 N ATOM 0 H ASN A 51 -5.703 -7.040 3.077 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.692 -8.956 2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.640 -10.360 1.571 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.414 -10.015 3.274 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.674 -8.463 1.214 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.178 -8.889 0.376 1.00 0.00 H new ATOM 812 N TYR A 52 -4.523 -7.082 -0.052 1.00 0.00 N ATOM 813 CA TYR A 52 -4.235 -6.809 -1.466 1.00 0.00 C ATOM 814 C TYR A 52 -2.793 -6.318 -1.686 1.00 0.00 C ATOM 815 O TYR A 52 -2.394 -6.228 -2.831 1.00 0.00 O ATOM 816 CB TYR A 52 -5.211 -5.811 -2.068 1.00 0.00 C ATOM 817 CG TYR A 52 -6.443 -6.506 -2.590 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.317 -7.184 -1.751 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.723 -6.483 -3.949 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.443 -7.827 -2.254 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.832 -7.136 -4.467 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.729 -7.801 -3.623 1.00 0.00 C ATOM 823 OH TYR A 52 -9.861 -8.456 -4.115 1.00 0.00 O ATOM 0 H TYR A 52 -4.851 -6.280 0.485 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.354 -7.764 -1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.496 -5.076 -1.315 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.726 -5.266 -2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.119 -7.213 -0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.065 -5.946 -4.616 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.104 -8.352 -1.580 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.005 -7.131 -5.533 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.124 -9.167 -3.494 1.00 0.00 H new ATOM 833 N ILE A 53 -2.063 -5.947 -0.599 1.00 0.00 N ATOM 834 CA ILE A 53 -0.661 -5.487 -0.735 1.00 0.00 C ATOM 835 C ILE A 53 0.217 -6.205 0.325 1.00 0.00 C ATOM 836 O ILE A 53 -0.265 -6.858 1.238 1.00 0.00 O ATOM 837 CB ILE A 53 -0.498 -3.927 -0.720 1.00 0.00 C ATOM 838 CG1 ILE A 53 0.663 -3.379 0.166 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.796 -3.189 -0.377 1.00 0.00 C ATOM 840 CD1 ILE A 53 0.797 -1.882 0.214 1.00 0.00 C ATOM 0 H ILE A 53 -2.415 -5.958 0.358 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.311 -5.768 -1.728 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.225 -3.714 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.523 -3.745 1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.601 -3.798 -0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.616 -2.114 -0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.560 -3.433 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.137 -3.494 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.634 -1.612 0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.974 -1.500 -0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.120 -1.447 0.611 1.00 0.00 H new ATOM 852 N GLU A 54 1.541 -6.035 0.122 1.00 0.00 N ATOM 853 CA GLU A 54 2.577 -6.537 1.018 1.00 0.00 C ATOM 854 C GLU A 54 3.641 -5.422 1.185 1.00 0.00 C ATOM 855 O GLU A 54 4.016 -4.738 0.244 1.00 0.00 O ATOM 856 CB GLU A 54 3.164 -7.849 0.476 1.00 0.00 C ATOM 857 CG GLU A 54 4.445 -8.315 1.208 1.00 0.00 C ATOM 858 CD GLU A 54 4.475 -9.835 1.441 1.00 0.00 C ATOM 859 OE1 GLU A 54 3.587 -10.341 2.126 1.00 0.00 O ATOM 860 OE2 GLU A 54 5.387 -10.496 0.943 1.00 0.00 O ATOM 0 H GLU A 54 1.915 -5.536 -0.685 1.00 0.00 H new ATOM 0 HA GLU A 54 2.168 -6.776 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.409 -8.632 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.388 -7.725 -0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.318 -8.024 0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.517 -7.803 2.167 1.00 0.00 H new ATOM 867 N MET A 55 4.074 -5.271 2.454 1.00 0.00 N ATOM 868 CA MET A 55 5.096 -4.301 2.861 1.00 0.00 C ATOM 869 C MET A 55 6.486 -4.911 2.632 1.00 0.00 C ATOM 870 O MET A 55 6.649 -6.109 2.420 1.00 0.00 O ATOM 871 CB MET A 55 4.971 -3.949 4.348 1.00 0.00 C ATOM 872 CG MET A 55 3.557 -3.518 4.722 1.00 0.00 C ATOM 873 SD MET A 55 3.360 -3.159 6.489 1.00 0.00 S ATOM 874 CE MET A 55 4.453 -4.370 7.265 1.00 0.00 C ATOM 0 H MET A 55 3.716 -5.829 3.229 1.00 0.00 H new ATOM 0 HA MET A 55 4.957 -3.397 2.269 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.257 -4.812 4.949 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.669 -3.147 4.590 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.291 -2.632 4.146 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.858 -4.304 4.438 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.214 -4.449 8.326 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.316 -5.341 6.789 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.489 -4.052 7.149 1.00 0.00 H new ATOM 943 N PRO B 2 -8.663 -12.743 -6.591 1.00 0.00 N ATOM 944 CA PRO B 2 -8.076 -12.153 -5.410 1.00 0.00 C ATOM 945 C PRO B 2 -8.930 -12.303 -4.132 1.00 0.00 C ATOM 946 O PRO B 2 -10.129 -12.559 -4.177 1.00 0.00 O ATOM 947 CB PRO B 2 -7.814 -10.688 -5.744 1.00 0.00 C ATOM 948 CG PRO B 2 -8.230 -10.464 -7.201 1.00 0.00 C ATOM 949 CD PRO B 2 -8.728 -11.813 -7.730 1.00 0.00 C ATOM 0 HA PRO B 2 -7.156 -12.684 -5.166 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.381 -10.036 -5.079 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.760 -10.446 -5.605 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -9.013 -9.709 -7.268 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.388 -10.103 -7.793 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.746 -11.731 -8.110 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -8.107 -12.162 -8.555 1.00 0.00 H new ATOM 957 N PRO B 3 -8.214 -12.122 -2.985 1.00 0.00 N ATOM 958 CA PRO B 3 -8.822 -12.196 -1.653 1.00 0.00 C ATOM 959 C PRO B 3 -10.077 -11.333 -1.407 1.00 0.00 C ATOM 960 O PRO B 3 -10.319 -10.342 -2.077 1.00 0.00 O ATOM 961 CB PRO B 3 -7.723 -11.566 -0.766 1.00 0.00 C ATOM 962 CG PRO B 3 -6.391 -11.825 -1.470 1.00 0.00 C ATOM 963 CD PRO B 3 -6.746 -11.957 -2.950 1.00 0.00 C ATOM 0 HA PRO B 3 -9.137 -13.224 -1.476 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.893 -10.497 -0.640 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.727 -12.009 0.230 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.691 -11.006 -1.303 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.916 -12.732 -1.095 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.436 -11.074 -3.509 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.243 -12.813 -3.400 1.00 0.00 H new ATOM 971 N PRO B 4 -10.854 -11.720 -0.351 1.00 0.00 N ATOM 972 CA PRO B 4 -12.019 -10.929 0.066 1.00 0.00 C ATOM 973 C PRO B 4 -11.454 -9.683 0.740 1.00 0.00 C ATOM 974 O PRO B 4 -10.642 -9.779 1.652 1.00 0.00 O ATOM 975 CB PRO B 4 -12.738 -11.801 1.104 1.00 0.00 C ATOM 976 CG PRO B 4 -11.694 -12.818 1.587 1.00 0.00 C ATOM 977 CD PRO B 4 -10.654 -12.926 0.466 1.00 0.00 C ATOM 0 HA PRO B 4 -12.693 -10.648 -0.743 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.109 -11.198 1.932 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.600 -12.303 0.664 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.231 -12.489 2.517 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.155 -13.786 1.785 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.642 -12.968 0.868 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.800 -13.831 -0.123 1.00 0.00 H new ATOM 985 N VAL B 5 -11.923 -8.526 0.245 1.00 0.00 N ATOM 986 CA VAL B 5 -11.397 -7.295 0.798 1.00 0.00 C ATOM 987 C VAL B 5 -11.932 -7.123 2.232 1.00 0.00 C ATOM 988 O VAL B 5 -13.021 -7.588 2.552 1.00 0.00 O ATOM 989 CB VAL B 5 -11.775 -6.125 -0.084 1.00 0.00 C ATOM 990 CG1 VAL B 5 -11.003 -4.861 0.279 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.548 -6.349 -1.563 1.00 0.00 C ATOM 0 H VAL B 5 -12.622 -8.428 -0.491 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.308 -7.335 0.836 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.844 -6.016 0.101 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.307 -4.047 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -11.215 -4.589 1.313 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.934 -5.042 0.164 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.847 -5.458 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.492 -6.550 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.142 -7.200 -1.897 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.094 -6.512 3.109 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.510 -6.268 4.476 1.00 0.00 C ATOM 1003 C PRO B 6 -12.627 -5.236 4.632 1.00 0.00 C ATOM 1004 O PRO B 6 -12.832 -4.373 3.790 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.272 -5.690 5.159 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.077 -5.879 4.230 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.673 -6.236 2.881 1.00 0.00 C ATOM 0 HA PRO B 6 -11.896 -7.199 4.890 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.419 -4.632 5.378 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.095 -6.191 6.111 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.479 -4.970 4.168 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.419 -6.669 4.591 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.546 -5.417 2.173 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.173 -7.106 2.455 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.297 -5.312 5.808 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.337 -4.341 6.119 1.00 0.00 C ATOM 1017 C PRO B 7 -13.657 -3.027 6.583 1.00 0.00 C ATOM 1018 O PRO B 7 -12.988 -2.987 7.609 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.081 -5.000 7.291 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.050 -5.918 7.961 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.122 -6.355 6.828 1.00 0.00 C ATOM 0 HA PRO B 7 -14.994 -4.097 5.285 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.454 -4.252 7.990 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -15.943 -5.567 6.940 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -13.501 -5.392 8.742 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -14.531 -6.776 8.432 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.086 -6.418 7.161 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.394 -7.339 6.445 1.00 0.00 H new ATOM 1029 N ARG B 8 -13.886 -1.967 5.776 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.327 -0.641 6.067 1.00 0.00 C ATOM 1031 C ARG B 8 -14.391 0.200 6.773 1.00 0.00 C ATOM 1032 O ARG B 8 -15.333 0.682 6.157 1.00 0.00 O ATOM 1033 CB ARG B 8 -12.823 0.102 4.811 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.727 0.066 3.570 1.00 0.00 C ATOM 1035 CD ARG B 8 -14.388 1.416 3.250 1.00 0.00 C ATOM 1036 NE ARG B 8 -15.710 1.212 2.663 1.00 0.00 N ATOM 1037 CZ ARG B 8 -16.615 2.210 2.553 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -16.329 3.437 2.970 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -17.804 1.954 2.029 1.00 0.00 N ATOM 0 H ARG B 8 -14.450 -2.009 4.927 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.456 -0.790 6.705 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.657 1.145 5.079 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.854 -0.315 4.537 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.137 -0.253 2.711 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -14.504 -0.683 3.719 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -14.475 2.010 4.160 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -13.760 1.980 2.560 1.00 0.00 H new ATOM 0 HE ARG B 8 -15.959 0.283 2.324 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -15.417 3.637 3.380 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -17.022 4.180 2.881 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -18.030 1.011 1.713 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -18.494 2.700 1.942 1.00 0.00 H new