USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 LYS NZ :NH3+ -139:sc= -2.48 (180deg=-2.87!) USER MOD Set 1.2: A 33 GLN : amide:sc= -1.85 K(o=-4.3,f=-7.4!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.287 X(o=0.29,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.415 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.042) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 30:sc= -0.411 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc=-0.00756 X(o=-0.0076,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0527 K(o=-0.053,f=-0.61) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -170:sc= 0.591 USER MOD Single : A 61 LYS NZ :NH3+ -116:sc= -1.32 (180deg=-4.47!) USER MOD Single : A 65 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.29) USER MOD Single : A 67 LYS NZ :NH3+ -157:sc= -0.0331 (180deg=-0.323) USER MOD Single : A 69 MET CE :methyl -130:sc= -3.31! (180deg=-7.63!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N LYS A 4 6.720 3.037 -0.412 1.00 0.00 N ATOM 98 CA LYS A 4 5.339 2.956 0.047 1.00 0.00 C ATOM 99 C LYS A 4 4.604 1.807 -0.635 1.00 0.00 C ATOM 100 O LYS A 4 5.055 1.289 -1.659 1.00 0.00 O ATOM 101 CB LYS A 4 4.611 4.274 -0.227 1.00 0.00 C ATOM 102 CG LYS A 4 4.895 5.352 0.805 1.00 0.00 C ATOM 103 CD LYS A 4 3.893 6.490 0.713 1.00 0.00 C ATOM 104 CE LYS A 4 2.602 6.158 1.446 1.00 0.00 C ATOM 105 NZ LYS A 4 2.672 6.526 2.887 1.00 0.00 N ATOM 0 HA LYS A 4 5.351 2.770 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.900 4.641 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.538 4.087 -0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.863 4.918 1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.903 5.741 0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.330 7.395 1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.674 6.700 -0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.772 6.686 0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.396 5.092 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.227 5.779 3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.667 6.632 3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.171 7.424 3.041 1.00 0.00 H new ATOM 119 N LEU A 5 3.471 1.413 -0.065 1.00 0.00 N ATOM 120 CA LEU A 5 2.674 0.325 -0.619 1.00 0.00 C ATOM 121 C LEU A 5 1.363 0.851 -1.196 1.00 0.00 C ATOM 122 O LEU A 5 0.739 1.749 -0.630 1.00 0.00 O ATOM 123 CB LEU A 5 2.386 -0.723 0.458 1.00 0.00 C ATOM 124 CG LEU A 5 3.594 -1.209 1.260 1.00 0.00 C ATOM 125 CD1 LEU A 5 3.141 -1.946 2.512 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.477 -2.103 0.403 1.00 0.00 C ATOM 0 H LEU A 5 3.084 1.831 0.781 1.00 0.00 H new ATOM 0 HA LEU A 5 3.245 -0.138 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.656 -0.309 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.920 -1.586 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 5 4.178 -0.341 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.014 -2.285 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.549 -1.275 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.535 -2.807 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.332 -2.440 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.904 -2.967 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.829 -1.543 -0.463 1.00 0.00 H new ATOM 138 N TYR A 6 0.950 0.283 -2.323 1.00 0.00 N ATOM 139 CA TYR A 6 -0.287 0.695 -2.978 1.00 0.00 C ATOM 140 C TYR A 6 -1.431 -0.251 -2.625 1.00 0.00 C ATOM 141 O TYR A 6 -1.302 -1.470 -2.747 1.00 0.00 O ATOM 142 CB TYR A 6 -0.096 0.739 -4.494 1.00 0.00 C ATOM 143 CG TYR A 6 -1.395 0.773 -5.268 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.160 -0.376 -5.430 1.00 0.00 C ATOM 145 CD2 TYR A 6 -1.857 1.953 -5.837 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.347 -0.349 -6.136 1.00 0.00 C ATOM 147 CE2 TYR A 6 -3.044 1.989 -6.544 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.785 0.835 -6.690 1.00 0.00 C ATOM 149 OH TYR A 6 -4.966 0.865 -7.395 1.00 0.00 O ATOM 0 H TYR A 6 1.453 -0.464 -2.802 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.542 1.693 -2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.494 1.619 -4.752 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.479 -0.133 -4.805 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.821 -1.305 -4.997 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.279 2.858 -5.725 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.929 -1.251 -6.253 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.389 2.915 -6.979 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.131 1.775 -7.718 1.00 0.00 H new ATOM 159 N ILE A 7 -2.548 0.319 -2.188 1.00 0.00 N ATOM 160 CA ILE A 7 -3.715 -0.472 -1.820 1.00 0.00 C ATOM 161 C ILE A 7 -4.855 -0.267 -2.812 1.00 0.00 C ATOM 162 O ILE A 7 -5.302 0.857 -3.035 1.00 0.00 O ATOM 163 CB ILE A 7 -4.211 -0.120 -0.405 1.00 0.00 C ATOM 164 CG1 ILE A 7 -3.081 -0.289 0.612 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.402 -0.988 -0.029 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.350 0.395 1.934 1.00 0.00 C ATOM 0 H ILE A 7 -2.670 1.326 -2.080 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.405 -1.517 -1.838 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.529 0.922 -0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.918 -1.352 0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.159 0.108 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.740 -0.727 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.212 -0.823 -0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.109 -2.038 -0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.507 0.233 2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.483 1.464 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.254 -0.019 2.380 1.00 0.00 H new ATOM 178 N GLY A 8 -5.322 -1.361 -3.405 1.00 0.00 N ATOM 179 CA GLY A 8 -6.407 -1.280 -4.365 1.00 0.00 C ATOM 180 C GLY A 8 -7.664 -1.974 -3.880 1.00 0.00 C ATOM 181 O GLY A 8 -7.612 -2.802 -2.971 1.00 0.00 O ATOM 0 H GLY A 8 -4.968 -2.303 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.630 -0.233 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.089 -1.728 -5.307 1.00 0.00 H new ATOM 185 N ASN A 9 -8.796 -1.635 -4.488 1.00 0.00 N ATOM 186 CA ASN A 9 -10.073 -2.232 -4.110 1.00 0.00 C ATOM 187 C ASN A 9 -10.550 -1.689 -2.766 1.00 0.00 C ATOM 188 O ASN A 9 -10.973 -2.449 -1.893 1.00 0.00 O ATOM 189 CB ASN A 9 -9.949 -3.755 -4.043 1.00 0.00 C ATOM 190 CG ASN A 9 -11.259 -4.455 -4.349 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.510 -4.860 -5.484 1.00 0.00 O ATOM 192 ND2 ASN A 9 -12.101 -4.602 -3.333 1.00 0.00 N ATOM 0 H ASN A 9 -8.856 -0.952 -5.243 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.808 -1.968 -4.870 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.189 -4.087 -4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.608 -4.046 -3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.998 -5.066 -3.477 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.851 -4.250 -2.409 1.00 0.00 H new ATOM 199 N LEU A 10 -10.481 -0.372 -2.607 1.00 0.00 N ATOM 200 CA LEU A 10 -10.907 0.272 -1.369 1.00 0.00 C ATOM 201 C LEU A 10 -12.229 1.007 -1.565 1.00 0.00 C ATOM 202 O LEU A 10 -12.301 1.992 -2.300 1.00 0.00 O ATOM 203 CB LEU A 10 -9.834 1.249 -0.885 1.00 0.00 C ATOM 204 CG LEU A 10 -8.527 0.622 -0.398 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.492 1.701 -0.113 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.772 -0.225 0.842 1.00 0.00 C ATOM 0 H LEU A 10 -10.134 0.271 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.051 -0.502 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.603 1.936 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.253 1.845 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.140 -0.025 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.568 1.237 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.295 2.266 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.870 2.374 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.831 -0.663 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.181 0.401 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.479 -1.020 0.606 1.00 0.00 H new ATOM 218 N SER A 11 -13.273 0.523 -0.900 1.00 0.00 N ATOM 219 CA SER A 11 -14.594 1.132 -1.002 1.00 0.00 C ATOM 220 C SER A 11 -14.500 2.652 -0.901 1.00 0.00 C ATOM 221 O SER A 11 -13.638 3.202 -0.215 1.00 0.00 O ATOM 222 CB SER A 11 -15.514 0.594 0.096 1.00 0.00 C ATOM 223 OG SER A 11 -16.498 1.550 0.452 1.00 0.00 O ATOM 0 H SER A 11 -13.230 -0.289 -0.285 1.00 0.00 H new ATOM 0 HA SER A 11 -15.012 0.874 -1.975 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.998 -0.320 -0.247 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.923 0.332 0.974 1.00 0.00 H new ATOM 0 HG SER A 11 -17.074 1.181 1.154 1.00 0.00 H new ATOM 229 N PRO A 12 -15.409 3.348 -1.601 1.00 0.00 N ATOM 230 CA PRO A 12 -15.450 4.813 -1.607 1.00 0.00 C ATOM 231 C PRO A 12 -15.899 5.385 -0.268 1.00 0.00 C ATOM 232 O PRO A 12 -15.966 6.602 -0.092 1.00 0.00 O ATOM 233 CB PRO A 12 -16.476 5.133 -2.697 1.00 0.00 C ATOM 234 CG PRO A 12 -17.351 3.930 -2.760 1.00 0.00 C ATOM 235 CD PRO A 12 -16.466 2.758 -2.439 1.00 0.00 C ATOM 0 HA PRO A 12 -14.467 5.249 -1.786 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.049 6.027 -2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.990 5.320 -3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.172 4.006 -2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.797 3.823 -3.749 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.010 1.977 -1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.057 2.304 -3.342 1.00 0.00 H new ATOM 243 N ALA A 13 -16.207 4.501 0.676 1.00 0.00 N ATOM 244 CA ALA A 13 -16.646 4.920 2.001 1.00 0.00 C ATOM 245 C ALA A 13 -15.514 4.811 3.016 1.00 0.00 C ATOM 246 O ALA A 13 -15.562 5.423 4.083 1.00 0.00 O ATOM 247 CB ALA A 13 -17.840 4.087 2.448 1.00 0.00 C ATOM 0 H ALA A 13 -16.160 3.490 0.547 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.946 5.966 1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.158 4.410 3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.660 4.219 1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.557 3.035 2.483 1.00 0.00 H new ATOM 253 N VAL A 14 -14.495 4.027 2.678 1.00 0.00 N ATOM 254 CA VAL A 14 -13.350 3.838 3.559 1.00 0.00 C ATOM 255 C VAL A 14 -12.688 5.172 3.894 1.00 0.00 C ATOM 256 O VAL A 14 -12.565 6.049 3.040 1.00 0.00 O ATOM 257 CB VAL A 14 -12.301 2.904 2.926 1.00 0.00 C ATOM 258 CG1 VAL A 14 -11.060 2.823 3.801 1.00 0.00 C ATOM 259 CG2 VAL A 14 -12.893 1.522 2.695 1.00 0.00 C ATOM 0 H VAL A 14 -14.440 3.512 1.799 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.728 3.381 4.474 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.007 3.315 1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.331 2.159 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.627 3.817 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.332 2.435 4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.140 0.874 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.215 1.100 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.749 1.600 2.025 1.00 0.00 H new ATOM 269 N THR A 15 -12.263 5.317 5.146 1.00 0.00 N ATOM 270 CA THR A 15 -11.616 6.542 5.596 1.00 0.00 C ATOM 271 C THR A 15 -10.199 6.267 6.086 1.00 0.00 C ATOM 272 O THR A 15 -9.866 5.139 6.449 1.00 0.00 O ATOM 273 CB THR A 15 -12.416 7.218 6.724 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.674 6.280 7.773 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.732 7.773 6.198 1.00 0.00 C ATOM 0 H THR A 15 -12.356 4.600 5.866 1.00 0.00 H new ATOM 0 HA THR A 15 -11.576 7.213 4.738 1.00 0.00 H new ATOM 0 HB THR A 15 -11.822 8.044 7.115 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.182 6.719 8.487 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.279 8.246 7.013 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.531 8.510 5.420 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.329 6.961 5.783 1.00 0.00 H new ATOM 283 N ALA A 16 -9.370 7.305 6.098 1.00 0.00 N ATOM 284 CA ALA A 16 -7.990 7.175 6.548 1.00 0.00 C ATOM 285 C ALA A 16 -7.923 6.603 7.960 1.00 0.00 C ATOM 286 O ALA A 16 -6.997 5.868 8.299 1.00 0.00 O ATOM 287 CB ALA A 16 -7.286 8.523 6.490 1.00 0.00 C ATOM 0 H ALA A 16 -9.630 8.246 5.801 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.481 6.482 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.256 8.411 6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.292 8.893 5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.805 9.232 7.135 1.00 0.00 H new ATOM 293 N ASP A 17 -8.913 6.944 8.777 1.00 0.00 N ATOM 294 CA ASP A 17 -8.967 6.465 10.154 1.00 0.00 C ATOM 295 C ASP A 17 -9.160 4.952 10.194 1.00 0.00 C ATOM 296 O ASP A 17 -8.555 4.261 11.013 1.00 0.00 O ATOM 297 CB ASP A 17 -10.100 7.156 10.914 1.00 0.00 C ATOM 298 CG ASP A 17 -9.813 8.622 11.172 1.00 0.00 C ATOM 299 OD1 ASP A 17 -9.254 9.285 10.273 1.00 0.00 O ATOM 300 OD2 ASP A 17 -10.149 9.107 12.272 1.00 0.00 O ATOM 0 H ASP A 17 -9.689 7.550 8.510 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.019 6.706 10.634 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.025 7.064 10.344 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.260 6.647 11.865 1.00 0.00 H new ATOM 305 N ASP A 18 -10.008 4.445 9.306 1.00 0.00 N ATOM 306 CA ASP A 18 -10.282 3.014 9.239 1.00 0.00 C ATOM 307 C ASP A 18 -9.055 2.249 8.754 1.00 0.00 C ATOM 308 O ASP A 18 -8.731 1.179 9.274 1.00 0.00 O ATOM 309 CB ASP A 18 -11.467 2.742 8.312 1.00 0.00 C ATOM 310 CG ASP A 18 -12.793 2.763 9.047 1.00 0.00 C ATOM 311 OD1 ASP A 18 -12.964 3.619 9.939 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.660 1.923 8.728 1.00 0.00 O ATOM 0 H ASP A 18 -10.518 5.004 8.622 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.530 2.669 10.243 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.483 3.489 7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.335 1.771 7.834 1.00 0.00 H new ATOM 317 N LEU A 19 -8.375 2.802 7.756 1.00 0.00 N ATOM 318 CA LEU A 19 -7.183 2.170 7.199 1.00 0.00 C ATOM 319 C LEU A 19 -6.104 2.010 8.265 1.00 0.00 C ATOM 320 O LEU A 19 -5.513 0.939 8.408 1.00 0.00 O ATOM 321 CB LEU A 19 -6.644 2.995 6.030 1.00 0.00 C ATOM 322 CG LEU A 19 -7.147 2.601 4.641 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.485 3.455 3.571 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.891 1.123 4.381 1.00 0.00 C ATOM 0 H LEU A 19 -8.628 3.687 7.316 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.461 1.180 6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.897 4.041 6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.556 2.925 6.034 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.222 2.776 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.855 3.160 2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.719 4.505 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.405 3.313 3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.255 0.860 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.821 0.923 4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.413 0.526 5.129 1.00 0.00 H new ATOM 336 N ARG A 20 -5.853 3.081 9.011 1.00 0.00 N ATOM 337 CA ARG A 20 -4.845 3.059 10.065 1.00 0.00 C ATOM 338 C ARG A 20 -5.249 2.103 11.183 1.00 0.00 C ATOM 339 O ARG A 20 -4.420 1.358 11.704 1.00 0.00 O ATOM 340 CB ARG A 20 -4.639 4.465 10.630 1.00 0.00 C ATOM 341 CG ARG A 20 -5.901 5.081 11.208 1.00 0.00 C ATOM 342 CD ARG A 20 -5.633 6.462 11.786 1.00 0.00 C ATOM 343 NE ARG A 20 -4.528 6.451 12.740 1.00 0.00 N ATOM 344 CZ ARG A 20 -3.817 7.528 13.054 1.00 0.00 C ATOM 345 NH1 ARG A 20 -4.095 8.697 12.493 1.00 0.00 N ATOM 346 NH2 ARG A 20 -2.826 7.439 13.931 1.00 0.00 N ATOM 0 H ARG A 20 -6.333 3.975 8.905 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.908 2.708 9.632 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.875 4.427 11.407 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.258 5.112 9.840 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.661 5.152 10.430 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.301 4.431 11.986 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.406 7.156 10.977 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.533 6.830 12.278 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.289 5.568 13.190 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.857 8.771 11.818 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.547 9.522 12.736 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.609 6.542 14.366 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.281 8.267 14.171 1.00 0.00 H new ATOM 360 N GLN A 21 -6.528 2.132 11.545 1.00 0.00 N ATOM 361 CA GLN A 21 -7.040 1.268 12.603 1.00 0.00 C ATOM 362 C GLN A 21 -7.007 -0.195 12.176 1.00 0.00 C ATOM 363 O GLN A 21 -6.772 -1.087 12.992 1.00 0.00 O ATOM 364 CB GLN A 21 -8.468 1.672 12.972 1.00 0.00 C ATOM 365 CG GLN A 21 -9.304 0.524 13.515 1.00 0.00 C ATOM 366 CD GLN A 21 -10.395 0.991 14.459 1.00 0.00 C ATOM 367 OE1 GLN A 21 -11.571 0.685 14.265 1.00 0.00 O ATOM 368 NE2 GLN A 21 -10.010 1.738 15.487 1.00 0.00 N ATOM 0 H GLN A 21 -7.227 2.743 11.122 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.399 1.386 13.476 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.431 2.467 13.716 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -8.960 2.083 12.090 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.756 -0.017 12.683 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.654 -0.179 14.036 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.024 1.968 15.609 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.700 2.082 16.154 1.00 0.00 H new ATOM 377 N LEU A 22 -7.244 -0.436 10.891 1.00 0.00 N ATOM 378 CA LEU A 22 -7.242 -1.792 10.353 1.00 0.00 C ATOM 379 C LEU A 22 -5.857 -2.420 10.466 1.00 0.00 C ATOM 380 O LEU A 22 -5.711 -3.548 10.939 1.00 0.00 O ATOM 381 CB LEU A 22 -7.694 -1.784 8.892 1.00 0.00 C ATOM 382 CG LEU A 22 -7.730 -3.143 8.192 1.00 0.00 C ATOM 383 CD1 LEU A 22 -8.889 -3.979 8.712 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.833 -2.965 6.685 1.00 0.00 C ATOM 0 H LEU A 22 -7.440 0.290 10.202 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.941 -2.390 10.939 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.691 -1.347 8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.030 -1.126 8.331 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.801 -3.669 8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.900 -4.943 8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.772 -4.136 9.784 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.827 -3.458 8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.857 -3.943 6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.746 -2.419 6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.970 -2.405 6.325 1.00 0.00 H new ATOM 396 N PHE A 23 -4.841 -1.683 10.029 1.00 0.00 N ATOM 397 CA PHE A 23 -3.466 -2.167 10.082 1.00 0.00 C ATOM 398 C PHE A 23 -3.043 -2.445 11.521 1.00 0.00 C ATOM 399 O PHE A 23 -2.436 -3.475 11.812 1.00 0.00 O ATOM 400 CB PHE A 23 -2.519 -1.146 9.448 1.00 0.00 C ATOM 401 CG PHE A 23 -2.315 -1.352 7.975 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.308 -1.015 7.070 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.129 -1.883 7.494 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.123 -1.203 5.712 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.937 -2.073 6.138 1.00 0.00 C ATOM 406 CZ PHE A 23 -1.937 -1.734 5.247 1.00 0.00 C ATOM 0 H PHE A 23 -4.944 -0.748 9.634 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.413 -3.099 9.520 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.913 -0.144 9.615 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.553 -1.197 9.951 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.238 -0.600 7.429 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.345 -2.152 8.187 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.905 -0.935 5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.007 -2.486 5.776 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.791 -1.884 4.188 1.00 0.00 H new ATOM 416 N GLY A 24 -3.368 -1.520 12.417 1.00 0.00 N ATOM 417 CA GLY A 24 -3.013 -1.683 13.815 1.00 0.00 C ATOM 418 C GLY A 24 -3.677 -2.891 14.444 1.00 0.00 C ATOM 419 O GLY A 24 -3.090 -3.556 15.298 1.00 0.00 O ATOM 0 H GLY A 24 -3.871 -0.660 12.200 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.931 -1.780 13.903 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.299 -0.787 14.366 1.00 0.00 H new ATOM 423 N ASP A 25 -4.904 -3.176 14.024 1.00 0.00 N ATOM 424 CA ASP A 25 -5.650 -4.313 14.552 1.00 0.00 C ATOM 425 C ASP A 25 -4.920 -5.622 14.265 1.00 0.00 C ATOM 426 O ASP A 25 -4.986 -6.566 15.052 1.00 0.00 O ATOM 427 CB ASP A 25 -7.055 -4.354 13.949 1.00 0.00 C ATOM 428 CG ASP A 25 -8.055 -3.549 14.755 1.00 0.00 C ATOM 429 OD1 ASP A 25 -7.822 -2.338 14.949 1.00 0.00 O ATOM 430 OD2 ASP A 25 -9.070 -4.131 15.193 1.00 0.00 O ATOM 0 H ASP A 25 -5.404 -2.635 13.319 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.731 -4.193 15.632 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.021 -3.970 12.930 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.391 -5.389 13.888 1.00 0.00 H new ATOM 435 N ARG A 26 -4.228 -5.670 13.132 1.00 0.00 N ATOM 436 CA ARG A 26 -3.488 -6.864 12.738 1.00 0.00 C ATOM 437 C ARG A 26 -2.091 -6.865 13.353 1.00 0.00 C ATOM 438 O ARG A 26 -1.193 -7.561 12.878 1.00 0.00 O ATOM 439 CB ARG A 26 -3.388 -6.949 11.215 1.00 0.00 C ATOM 440 CG ARG A 26 -4.536 -7.707 10.570 1.00 0.00 C ATOM 441 CD ARG A 26 -5.820 -6.893 10.584 1.00 0.00 C ATOM 442 NE ARG A 26 -6.578 -7.089 11.817 1.00 0.00 N ATOM 443 CZ ARG A 26 -7.088 -8.259 12.187 1.00 0.00 C ATOM 444 NH1 ARG A 26 -6.921 -9.331 11.425 1.00 0.00 N ATOM 445 NH2 ARG A 26 -7.767 -8.358 13.323 1.00 0.00 N ATOM 0 H ARG A 26 -4.164 -4.896 12.470 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.029 -7.735 13.108 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.355 -5.940 10.805 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.449 -7.433 10.948 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.275 -7.959 9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.695 -8.647 11.098 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.580 -5.836 10.470 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.437 -7.174 9.730 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.724 -6.285 12.427 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.400 -9.259 10.551 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.314 -10.227 11.712 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.898 -7.536 13.912 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.158 -9.256 13.607 1.00 0.00 H new ATOM 459 N LYS A 27 -1.916 -6.080 14.410 1.00 0.00 N ATOM 460 CA LYS A 27 -0.629 -5.990 15.091 1.00 0.00 C ATOM 461 C LYS A 27 0.439 -5.421 14.162 1.00 0.00 C ATOM 462 O LYS A 27 1.630 -5.682 14.336 1.00 0.00 O ATOM 463 CB LYS A 27 -0.198 -7.368 15.596 1.00 0.00 C ATOM 464 CG LYS A 27 -0.723 -7.699 16.982 1.00 0.00 C ATOM 465 CD LYS A 27 -2.189 -8.098 16.943 1.00 0.00 C ATOM 466 CE LYS A 27 -2.688 -8.524 18.316 1.00 0.00 C ATOM 467 NZ LYS A 27 -2.226 -9.893 18.673 1.00 0.00 N ATOM 0 H LYS A 27 -2.649 -5.497 14.814 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.743 -5.318 15.941 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.544 -8.127 14.895 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.891 -7.417 15.608 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.135 -8.511 17.410 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.597 -6.836 17.635 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.786 -7.260 16.582 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.326 -8.916 16.235 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.337 -7.815 19.066 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.777 -8.492 18.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.587 -10.146 19.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.582 -10.573 17.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.186 -9.917 18.682 1.00 0.00 H new ATOM 481 N LEU A 28 0.006 -4.640 13.178 1.00 0.00 N ATOM 482 CA LEU A 28 0.925 -4.032 12.222 1.00 0.00 C ATOM 483 C LEU A 28 0.902 -2.512 12.337 1.00 0.00 C ATOM 484 O LEU A 28 0.281 -1.814 11.536 1.00 0.00 O ATOM 485 CB LEU A 28 0.562 -4.454 10.797 1.00 0.00 C ATOM 486 CG LEU A 28 0.498 -5.959 10.538 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.306 -6.250 9.280 1.00 0.00 C ATOM 488 CD2 LEU A 28 1.900 -6.541 10.423 1.00 0.00 C ATOM 0 H LEU A 28 -0.976 -4.413 13.021 1.00 0.00 H new ATOM 0 HA LEU A 28 1.932 -4.380 12.451 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.407 -4.021 10.547 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.291 -4.019 10.114 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.002 -6.433 11.383 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.341 -7.326 9.111 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.320 -5.868 9.400 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.166 -5.764 8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.835 -7.613 10.239 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.426 -6.062 9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.444 -6.365 11.351 1.00 0.00 H new ATOM 500 N PRO A 29 1.598 -1.985 13.355 1.00 0.00 N ATOM 501 CA PRO A 29 1.676 -0.541 13.597 1.00 0.00 C ATOM 502 C PRO A 29 2.496 0.182 12.533 1.00 0.00 C ATOM 503 O PRO A 29 3.706 -0.018 12.426 1.00 0.00 O ATOM 504 CB PRO A 29 2.366 -0.446 14.960 1.00 0.00 C ATOM 505 CG PRO A 29 3.156 -1.704 15.073 1.00 0.00 C ATOM 506 CD PRO A 29 2.363 -2.756 14.349 1.00 0.00 C ATOM 0 HA PRO A 29 0.694 -0.069 13.568 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.009 0.432 15.018 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.638 -0.362 15.767 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.144 -1.586 14.629 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.306 -1.978 16.117 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.012 -3.492 13.874 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.706 -3.301 15.027 1.00 0.00 H new ATOM 514 N LEU A 30 1.830 1.023 11.749 1.00 0.00 N ATOM 515 CA LEU A 30 2.498 1.776 10.694 1.00 0.00 C ATOM 516 C LEU A 30 3.502 2.763 11.281 1.00 0.00 C ATOM 517 O LEU A 30 3.136 3.652 12.050 1.00 0.00 O ATOM 518 CB LEU A 30 1.468 2.523 9.844 1.00 0.00 C ATOM 519 CG LEU A 30 0.251 1.712 9.397 1.00 0.00 C ATOM 520 CD1 LEU A 30 -0.947 2.624 9.183 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.566 0.933 8.129 1.00 0.00 C ATOM 0 H LEU A 30 0.828 1.200 11.824 1.00 0.00 H new ATOM 0 HA LEU A 30 3.038 1.070 10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.117 3.386 10.410 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.970 2.907 8.956 1.00 0.00 H new ATOM 0 HG LEU A 30 0.003 0.999 10.184 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.804 2.030 8.865 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.186 3.136 10.115 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.711 3.361 8.415 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.311 0.362 7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.840 1.627 7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.395 0.251 8.317 1.00 0.00 H new ATOM 533 N ALA A 31 4.768 2.601 10.912 1.00 0.00 N ATOM 534 CA ALA A 31 5.824 3.480 11.399 1.00 0.00 C ATOM 535 C ALA A 31 6.053 4.644 10.441 1.00 0.00 C ATOM 536 O ALA A 31 7.104 5.285 10.469 1.00 0.00 O ATOM 537 CB ALA A 31 7.113 2.696 11.599 1.00 0.00 C ATOM 0 H ALA A 31 5.087 1.869 10.277 1.00 0.00 H new ATOM 0 HA ALA A 31 5.509 3.890 12.359 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.893 3.365 11.963 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.947 1.902 12.327 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.424 2.259 10.650 1.00 0.00 H new ATOM 543 N GLY A 32 5.065 4.912 9.593 1.00 0.00 N ATOM 544 CA GLY A 32 5.180 5.999 8.638 1.00 0.00 C ATOM 545 C GLY A 32 3.898 6.798 8.513 1.00 0.00 C ATOM 546 O GLY A 32 3.184 6.995 9.495 1.00 0.00 O ATOM 0 H GLY A 32 4.186 4.396 9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.990 6.662 8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.449 5.595 7.662 1.00 0.00 H new ATOM 550 N GLN A 33 3.607 7.260 7.300 1.00 0.00 N ATOM 551 CA GLN A 33 2.404 8.044 7.051 1.00 0.00 C ATOM 552 C GLN A 33 1.415 7.265 6.190 1.00 0.00 C ATOM 553 O GLN A 33 1.777 6.279 5.549 1.00 0.00 O ATOM 554 CB GLN A 33 2.763 9.365 6.368 1.00 0.00 C ATOM 555 CG GLN A 33 3.237 9.199 4.933 1.00 0.00 C ATOM 556 CD GLN A 33 4.737 9.005 4.833 1.00 0.00 C ATOM 557 OE1 GLN A 33 5.213 8.084 4.168 1.00 0.00 O ATOM 558 NE2 GLN A 33 5.492 9.874 5.494 1.00 0.00 N ATOM 0 H GLN A 33 4.188 7.105 6.476 1.00 0.00 H new ATOM 0 HA GLN A 33 1.933 8.256 8.011 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.891 10.019 6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.543 9.862 6.944 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.733 8.343 4.485 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.949 10.077 4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.056 10.622 6.033 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.508 9.794 5.463 1.00 0.00 H new ATOM 567 N VAL A 34 0.164 7.716 6.180 1.00 0.00 N ATOM 568 CA VAL A 34 -0.877 7.061 5.396 1.00 0.00 C ATOM 569 C VAL A 34 -1.511 8.030 4.405 1.00 0.00 C ATOM 570 O VAL A 34 -1.671 9.217 4.696 1.00 0.00 O ATOM 571 CB VAL A 34 -1.978 6.478 6.303 1.00 0.00 C ATOM 572 CG1 VAL A 34 -3.035 5.769 5.470 1.00 0.00 C ATOM 573 CG2 VAL A 34 -1.375 5.533 7.331 1.00 0.00 C ATOM 0 H VAL A 34 -0.153 8.531 6.705 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.398 6.249 4.849 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.459 7.298 6.836 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.804 5.364 6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.487 6.478 4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.572 4.957 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.166 5.130 7.963 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.867 4.715 6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.659 6.076 7.948 1.00 0.00 H new ATOM 583 N LEU A 35 -1.871 7.519 3.233 1.00 0.00 N ATOM 584 CA LEU A 35 -2.488 8.340 2.197 1.00 0.00 C ATOM 585 C LEU A 35 -3.770 7.694 1.683 1.00 0.00 C ATOM 586 O LEU A 35 -3.814 6.489 1.433 1.00 0.00 O ATOM 587 CB LEU A 35 -1.511 8.555 1.040 1.00 0.00 C ATOM 588 CG LEU A 35 -1.634 9.885 0.296 1.00 0.00 C ATOM 589 CD1 LEU A 35 -0.707 10.925 0.905 1.00 0.00 C ATOM 590 CD2 LEU A 35 -1.332 9.698 -1.184 1.00 0.00 C ATOM 0 H LEU A 35 -1.746 6.540 2.976 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.740 9.306 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.496 8.471 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.646 7.746 0.322 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.659 10.241 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.808 11.865 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.971 11.080 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.324 10.577 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.424 10.655 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.317 9.319 -1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.038 8.986 -1.612 1.00 0.00 H new ATOM 602 N LEU A 36 -4.812 8.502 1.524 1.00 0.00 N ATOM 603 CA LEU A 36 -6.096 8.010 1.037 1.00 0.00 C ATOM 604 C LEU A 36 -6.417 8.593 -0.335 1.00 0.00 C ATOM 605 O LEU A 36 -6.620 9.799 -0.477 1.00 0.00 O ATOM 606 CB LEU A 36 -7.208 8.361 2.026 1.00 0.00 C ATOM 607 CG LEU A 36 -8.632 8.028 1.582 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.765 6.542 1.286 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.636 8.454 2.643 1.00 0.00 C ATOM 0 H LEU A 36 -4.793 9.502 1.725 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.030 6.926 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.010 7.841 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.155 9.429 2.237 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.845 8.581 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.785 6.324 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.073 6.266 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.532 5.970 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.644 8.209 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.425 7.930 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.559 9.529 2.806 1.00 0.00 H new ATOM 621 N LYS A 37 -6.463 7.729 -1.343 1.00 0.00 N ATOM 622 CA LYS A 37 -6.763 8.156 -2.705 1.00 0.00 C ATOM 623 C LYS A 37 -8.134 7.650 -3.144 1.00 0.00 C ATOM 624 O LYS A 37 -8.654 6.682 -2.591 1.00 0.00 O ATOM 625 CB LYS A 37 -5.688 7.651 -3.669 1.00 0.00 C ATOM 626 CG LYS A 37 -4.393 8.444 -3.605 1.00 0.00 C ATOM 627 CD LYS A 37 -4.554 9.824 -4.221 1.00 0.00 C ATOM 628 CE LYS A 37 -4.333 9.790 -5.726 1.00 0.00 C ATOM 629 NZ LYS A 37 -4.840 11.025 -6.387 1.00 0.00 N ATOM 0 H LYS A 37 -6.296 6.728 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.774 9.246 -2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.475 6.605 -3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.077 7.688 -4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.076 8.543 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.606 7.901 -4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.552 10.205 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.845 10.513 -3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.269 9.676 -5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.835 8.919 -6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.672 10.965 -7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.860 11.120 -6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.343 11.854 -6.003 1.00 0.00 H new ATOM 643 N SER A 38 -8.711 8.310 -4.143 1.00 0.00 N ATOM 644 CA SER A 38 -10.021 7.927 -4.656 1.00 0.00 C ATOM 645 C SER A 38 -9.950 6.589 -5.386 1.00 0.00 C ATOM 646 O SER A 38 -9.770 6.541 -6.601 1.00 0.00 O ATOM 647 CB SER A 38 -10.559 9.006 -5.597 1.00 0.00 C ATOM 648 OG SER A 38 -11.872 8.696 -6.032 1.00 0.00 O ATOM 0 H SER A 38 -8.292 9.112 -4.613 1.00 0.00 H new ATOM 0 HA SER A 38 -10.699 7.823 -3.809 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.559 9.970 -5.088 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.900 9.102 -6.460 1.00 0.00 H new ATOM 0 HG SER A 38 -12.193 9.402 -6.631 1.00 0.00 H new ATOM 654 N GLY A 39 -10.093 5.502 -4.632 1.00 0.00 N ATOM 655 CA GLY A 39 -10.041 4.179 -5.223 1.00 0.00 C ATOM 656 C GLY A 39 -8.860 3.368 -4.727 1.00 0.00 C ATOM 657 O GLY A 39 -8.779 2.163 -4.971 1.00 0.00 O ATOM 0 H GLY A 39 -10.244 5.515 -3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.965 3.646 -4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.985 4.271 -6.308 1.00 0.00 H new ATOM 661 N TYR A 40 -7.942 4.028 -4.031 1.00 0.00 N ATOM 662 CA TYR A 40 -6.757 3.362 -3.504 1.00 0.00 C ATOM 663 C TYR A 40 -6.179 4.134 -2.322 1.00 0.00 C ATOM 664 O TYR A 40 -6.684 5.193 -1.951 1.00 0.00 O ATOM 665 CB TYR A 40 -5.699 3.216 -4.598 1.00 0.00 C ATOM 666 CG TYR A 40 -5.615 4.411 -5.522 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.503 4.559 -6.580 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.647 5.389 -5.338 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.430 5.648 -7.427 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.567 6.484 -6.179 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.460 6.607 -7.223 1.00 0.00 C ATOM 672 OH TYR A 40 -5.384 7.694 -8.063 1.00 0.00 O ATOM 0 H TYR A 40 -7.995 5.024 -3.818 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.052 2.371 -3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.726 3.058 -4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.918 2.326 -5.188 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.264 3.810 -6.743 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.944 5.293 -4.524 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.129 5.748 -8.244 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.810 7.238 -6.019 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.278 7.906 -8.405 1.00 0.00 H new ATOM 682 N ALA A 41 -5.116 3.594 -1.734 1.00 0.00 N ATOM 683 CA ALA A 41 -4.467 4.232 -0.595 1.00 0.00 C ATOM 684 C ALA A 41 -3.002 3.821 -0.499 1.00 0.00 C ATOM 685 O ALA A 41 -2.643 2.684 -0.809 1.00 0.00 O ATOM 686 CB ALA A 41 -5.200 3.886 0.692 1.00 0.00 C ATOM 0 H ALA A 41 -4.686 2.717 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.506 5.311 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.704 4.369 1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.231 4.235 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.191 2.806 0.837 1.00 0.00 H new ATOM 692 N PHE A 42 -2.158 4.753 -0.067 1.00 0.00 N ATOM 693 CA PHE A 42 -0.731 4.488 0.070 1.00 0.00 C ATOM 694 C PHE A 42 -0.326 4.426 1.539 1.00 0.00 C ATOM 695 O PHE A 42 -0.882 5.136 2.378 1.00 0.00 O ATOM 696 CB PHE A 42 0.081 5.568 -0.649 1.00 0.00 C ATOM 697 CG PHE A 42 -0.115 5.574 -2.138 1.00 0.00 C ATOM 698 CD1 PHE A 42 0.250 4.478 -2.903 1.00 0.00 C ATOM 699 CD2 PHE A 42 -0.666 6.676 -2.773 1.00 0.00 C ATOM 700 CE1 PHE A 42 0.071 4.482 -4.273 1.00 0.00 C ATOM 701 CE2 PHE A 42 -0.847 6.685 -4.144 1.00 0.00 C ATOM 702 CZ PHE A 42 -0.479 5.586 -4.894 1.00 0.00 C ATOM 0 H PHE A 42 -2.438 5.698 0.194 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.522 3.520 -0.386 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.195 6.544 -0.250 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.139 5.422 -0.430 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.679 3.611 -2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.957 7.537 -2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.361 3.622 -4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.276 7.551 -4.627 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.621 5.590 -5.965 1.00 0.00 H new ATOM 712 N VAL A 43 0.644 3.571 1.845 1.00 0.00 N ATOM 713 CA VAL A 43 1.123 3.415 3.214 1.00 0.00 C ATOM 714 C VAL A 43 2.639 3.254 3.249 1.00 0.00 C ATOM 715 O VAL A 43 3.223 2.586 2.396 1.00 0.00 O ATOM 716 CB VAL A 43 0.473 2.200 3.900 1.00 0.00 C ATOM 717 CG1 VAL A 43 -0.992 2.476 4.199 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.624 0.955 3.038 1.00 0.00 C ATOM 0 H VAL A 43 1.114 2.975 1.163 1.00 0.00 H new ATOM 0 HA VAL A 43 0.843 4.320 3.754 1.00 0.00 H new ATOM 0 HB VAL A 43 0.986 2.023 4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.435 1.606 4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.072 3.339 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.521 2.681 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.158 0.107 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.140 1.118 2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.682 0.747 2.881 1.00 0.00 H new ATOM 728 N ASP A 44 3.270 3.871 4.242 1.00 0.00 N ATOM 729 CA ASP A 44 4.718 3.796 4.391 1.00 0.00 C ATOM 730 C ASP A 44 5.112 2.639 5.305 1.00 0.00 C ATOM 731 O ASP A 44 4.654 2.552 6.445 1.00 0.00 O ATOM 732 CB ASP A 44 5.264 5.111 4.950 1.00 0.00 C ATOM 733 CG ASP A 44 6.725 5.012 5.342 1.00 0.00 C ATOM 734 OD1 ASP A 44 7.016 4.417 6.401 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.578 5.528 4.590 1.00 0.00 O ATOM 0 H ASP A 44 2.801 4.429 4.956 1.00 0.00 H new ATOM 0 HA ASP A 44 5.150 3.621 3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.143 5.897 4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.677 5.404 5.820 1.00 0.00 H new ATOM 740 N TYR A 45 5.961 1.753 4.796 1.00 0.00 N ATOM 741 CA TYR A 45 6.412 0.599 5.565 1.00 0.00 C ATOM 742 C TYR A 45 7.825 0.820 6.099 1.00 0.00 C ATOM 743 O TYR A 45 8.660 1.469 5.469 1.00 0.00 O ATOM 744 CB TYR A 45 6.373 -0.663 4.701 1.00 0.00 C ATOM 745 CG TYR A 45 7.237 -0.576 3.464 1.00 0.00 C ATOM 746 CD1 TYR A 45 6.806 0.116 2.338 1.00 0.00 C ATOM 747 CD2 TYR A 45 8.484 -1.188 3.419 1.00 0.00 C ATOM 748 CE1 TYR A 45 7.591 0.196 1.205 1.00 0.00 C ATOM 749 CE2 TYR A 45 9.276 -1.111 2.290 1.00 0.00 C ATOM 750 CZ TYR A 45 8.826 -0.418 1.185 1.00 0.00 C ATOM 751 OH TYR A 45 9.612 -0.341 0.059 1.00 0.00 O ATOM 0 H TYR A 45 6.350 1.812 3.855 1.00 0.00 H new ATOM 0 HA TYR A 45 5.738 0.472 6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.696 -1.514 5.301 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.343 -0.857 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.840 0.599 2.350 1.00 0.00 H new ATOM 0 HD2 TYR A 45 8.840 -1.733 4.281 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.240 0.737 0.339 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.243 -1.591 2.272 1.00 0.00 H new ATOM 0 HH TYR A 45 10.450 -0.826 0.211 1.00 0.00 H new ATOM 761 N PRO A 46 8.099 0.266 7.289 1.00 0.00 N ATOM 762 CA PRO A 46 9.410 0.386 7.935 1.00 0.00 C ATOM 763 C PRO A 46 10.490 -0.407 7.207 1.00 0.00 C ATOM 764 O PRO A 46 11.561 0.118 6.905 1.00 0.00 O ATOM 765 CB PRO A 46 9.171 -0.193 9.332 1.00 0.00 C ATOM 766 CG PRO A 46 8.020 -1.125 9.164 1.00 0.00 C ATOM 767 CD PRO A 46 7.151 -0.521 8.096 1.00 0.00 C ATOM 0 HA PRO A 46 9.769 1.415 7.941 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.054 -0.716 9.700 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.943 0.592 10.052 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.362 -2.119 8.874 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.469 -1.237 10.098 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.656 -1.287 7.500 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.368 0.107 8.522 1.00 0.00 H new ATOM 775 N ASP A 47 10.200 -1.673 6.928 1.00 0.00 N ATOM 776 CA ASP A 47 11.147 -2.539 6.234 1.00 0.00 C ATOM 777 C ASP A 47 10.422 -3.476 5.272 1.00 0.00 C ATOM 778 O ASP A 47 9.208 -3.654 5.363 1.00 0.00 O ATOM 779 CB ASP A 47 11.961 -3.352 7.241 1.00 0.00 C ATOM 780 CG ASP A 47 12.614 -2.480 8.295 1.00 0.00 C ATOM 781 OD1 ASP A 47 11.879 -1.803 9.043 1.00 0.00 O ATOM 782 OD2 ASP A 47 13.861 -2.474 8.371 1.00 0.00 O ATOM 0 H ASP A 47 9.317 -2.123 7.171 1.00 0.00 H new ATOM 0 HA ASP A 47 11.824 -1.908 5.658 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.311 -4.079 7.727 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.730 -3.915 6.712 1.00 0.00 H new ATOM 787 N GLN A 48 11.175 -4.071 4.352 1.00 0.00 N ATOM 788 CA GLN A 48 10.603 -4.987 3.374 1.00 0.00 C ATOM 789 C GLN A 48 9.892 -6.146 4.064 1.00 0.00 C ATOM 790 O GLN A 48 8.857 -6.619 3.596 1.00 0.00 O ATOM 791 CB GLN A 48 11.696 -5.523 2.447 1.00 0.00 C ATOM 792 CG GLN A 48 11.187 -6.522 1.420 1.00 0.00 C ATOM 793 CD GLN A 48 12.309 -7.213 0.671 1.00 0.00 C ATOM 794 OE1 GLN A 48 12.455 -7.050 -0.541 1.00 0.00 O ATOM 795 NE2 GLN A 48 13.110 -7.990 1.389 1.00 0.00 N ATOM 0 H GLN A 48 12.182 -3.935 4.264 1.00 0.00 H new ATOM 0 HA GLN A 48 9.871 -4.437 2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.163 -4.686 1.927 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.471 -5.997 3.049 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.574 -7.272 1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.542 -6.008 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.953 -8.097 2.391 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.883 -8.480 0.939 1.00 0.00 H new ATOM 804 N ASN A 49 10.455 -6.599 5.179 1.00 0.00 N ATOM 805 CA ASN A 49 9.874 -7.704 5.934 1.00 0.00 C ATOM 806 C ASN A 49 8.482 -7.342 6.445 1.00 0.00 C ATOM 807 O ASN A 49 7.545 -8.132 6.336 1.00 0.00 O ATOM 808 CB ASN A 49 10.779 -8.078 7.109 1.00 0.00 C ATOM 809 CG ASN A 49 11.901 -9.013 6.699 1.00 0.00 C ATOM 810 OD1 ASN A 49 11.685 -9.973 5.961 1.00 0.00 O ATOM 811 ND2 ASN A 49 13.108 -8.735 7.179 1.00 0.00 N ATOM 0 H ASN A 49 11.312 -6.219 5.580 1.00 0.00 H new ATOM 0 HA ASN A 49 9.785 -8.560 5.266 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.204 -7.171 7.540 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.182 -8.551 7.888 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.902 -9.329 6.938 1.00 0.00 H new ATOM 0 HD22 ASN A 49 13.241 -7.928 7.788 1.00 0.00 H new ATOM 818 N TRP A 50 8.357 -6.142 7.003 1.00 0.00 N ATOM 819 CA TRP A 50 7.080 -5.676 7.530 1.00 0.00 C ATOM 820 C TRP A 50 6.029 -5.605 6.429 1.00 0.00 C ATOM 821 O TRP A 50 4.878 -5.991 6.631 1.00 0.00 O ATOM 822 CB TRP A 50 7.247 -4.302 8.182 1.00 0.00 C ATOM 823 CG TRP A 50 5.959 -3.727 8.693 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.532 -3.701 9.990 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.934 -3.098 7.917 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.301 -3.093 10.067 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.914 -2.714 8.809 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.779 -2.820 6.557 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.756 -2.068 8.381 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.630 -2.180 6.134 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.631 -1.809 7.044 1.00 0.00 C ATOM 0 H TRP A 50 9.123 -5.476 7.102 1.00 0.00 H new ATOM 0 HA TRP A 50 6.743 -6.390 8.281 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.954 -4.383 9.008 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.682 -3.614 7.457 1.00 0.00 H new ATOM 0 HD1 TRP A 50 6.080 -4.099 10.831 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.764 -2.948 10.922 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.544 -3.101 5.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.984 -1.782 9.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.500 -1.962 5.084 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.745 -1.309 6.682 1.00 0.00 H new ATOM 842 N ALA A 51 6.432 -5.110 5.263 1.00 0.00 N ATOM 843 CA ALA A 51 5.524 -4.992 4.129 1.00 0.00 C ATOM 844 C ALA A 51 5.010 -6.359 3.691 1.00 0.00 C ATOM 845 O ALA A 51 3.807 -6.556 3.523 1.00 0.00 O ATOM 846 CB ALA A 51 6.216 -4.291 2.969 1.00 0.00 C ATOM 0 H ALA A 51 7.381 -4.784 5.079 1.00 0.00 H new ATOM 0 HA ALA A 51 4.668 -4.395 4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.526 -4.210 2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.528 -3.294 3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.091 -4.866 2.666 1.00 0.00 H new ATOM 852 N ILE A 52 5.930 -7.301 3.509 1.00 0.00 N ATOM 853 CA ILE A 52 5.568 -8.650 3.091 1.00 0.00 C ATOM 854 C ILE A 52 4.645 -9.312 4.109 1.00 0.00 C ATOM 855 O ILE A 52 3.669 -9.966 3.742 1.00 0.00 O ATOM 856 CB ILE A 52 6.816 -9.532 2.898 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.743 -8.920 1.846 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.411 -10.943 2.496 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.166 -9.425 1.927 1.00 0.00 C ATOM 0 H ILE A 52 6.930 -7.155 3.644 1.00 0.00 H new ATOM 0 HA ILE A 52 5.047 -8.557 2.138 1.00 0.00 H new ATOM 0 HB ILE A 52 7.355 -9.584 3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.346 -9.135 0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.744 -7.836 1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.304 -11.554 2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.786 -11.378 3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.853 -10.909 1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.766 -8.948 1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.582 -9.186 2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.178 -10.505 1.782 1.00 0.00 H new ATOM 871 N ARG A 53 4.960 -9.135 5.387 1.00 0.00 N ATOM 872 CA ARG A 53 4.158 -9.713 6.458 1.00 0.00 C ATOM 873 C ARG A 53 2.802 -9.022 6.557 1.00 0.00 C ATOM 874 O ARG A 53 1.778 -9.668 6.778 1.00 0.00 O ATOM 875 CB ARG A 53 4.896 -9.606 7.794 1.00 0.00 C ATOM 876 CG ARG A 53 4.187 -10.308 8.940 1.00 0.00 C ATOM 877 CD ARG A 53 4.564 -11.780 9.011 1.00 0.00 C ATOM 878 NE ARG A 53 3.883 -12.569 7.989 1.00 0.00 N ATOM 879 CZ ARG A 53 4.068 -13.874 7.824 1.00 0.00 C ATOM 880 NH1 ARG A 53 4.908 -14.532 8.610 1.00 0.00 N ATOM 881 NH2 ARG A 53 3.411 -14.523 6.871 1.00 0.00 N ATOM 0 H ARG A 53 5.765 -8.596 5.706 1.00 0.00 H new ATOM 0 HA ARG A 53 3.994 -10.765 6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.895 -10.029 7.683 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.022 -8.553 8.046 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.443 -9.820 9.881 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.108 -10.213 8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.642 -11.884 8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.314 -12.171 9.997 1.00 0.00 H new ATOM 0 HE ARG A 53 3.229 -12.092 7.368 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.414 -14.036 9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.048 -15.534 8.481 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.763 -14.020 6.265 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.554 -15.525 6.745 1.00 0.00 H new ATOM 895 N ALA A 54 2.803 -7.703 6.392 1.00 0.00 N ATOM 896 CA ALA A 54 1.574 -6.922 6.461 1.00 0.00 C ATOM 897 C ALA A 54 0.640 -7.266 5.307 1.00 0.00 C ATOM 898 O ALA A 54 -0.562 -7.451 5.501 1.00 0.00 O ATOM 899 CB ALA A 54 1.892 -5.435 6.462 1.00 0.00 C ATOM 0 H ALA A 54 3.642 -7.153 6.209 1.00 0.00 H new ATOM 0 HA ALA A 54 1.065 -7.173 7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.965 -4.865 6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.513 -5.196 7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.426 -5.177 5.548 1.00 0.00 H new ATOM 905 N ILE A 55 1.200 -7.348 4.104 1.00 0.00 N ATOM 906 CA ILE A 55 0.416 -7.670 2.917 1.00 0.00 C ATOM 907 C ILE A 55 -0.213 -9.054 3.032 1.00 0.00 C ATOM 908 O ILE A 55 -1.403 -9.229 2.773 1.00 0.00 O ATOM 909 CB ILE A 55 1.277 -7.613 1.642 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.844 -6.206 1.445 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.458 -8.034 0.431 1.00 0.00 C ATOM 912 CD1 ILE A 55 3.131 -6.179 0.651 1.00 0.00 C ATOM 0 H ILE A 55 2.193 -7.196 3.926 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.373 -6.921 2.847 1.00 0.00 H new ATOM 0 HB ILE A 55 2.110 -8.307 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.101 -5.591 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.019 -5.754 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.080 -7.989 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.098 -9.053 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.392 -7.362 0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.475 -5.150 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.890 -6.766 1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.957 -6.601 -0.339 1.00 0.00 H new ATOM 924 N GLU A 56 0.595 -10.035 3.425 1.00 0.00 N ATOM 925 CA GLU A 56 0.117 -11.404 3.575 1.00 0.00 C ATOM 926 C GLU A 56 -0.959 -11.489 4.653 1.00 0.00 C ATOM 927 O GLU A 56 -1.934 -12.229 4.517 1.00 0.00 O ATOM 928 CB GLU A 56 1.278 -12.337 3.922 1.00 0.00 C ATOM 929 CG GLU A 56 1.971 -12.927 2.704 1.00 0.00 C ATOM 930 CD GLU A 56 3.194 -13.745 3.069 1.00 0.00 C ATOM 931 OE1 GLU A 56 4.191 -13.152 3.528 1.00 0.00 O ATOM 932 OE2 GLU A 56 3.154 -14.981 2.893 1.00 0.00 O ATOM 0 H GLU A 56 1.583 -9.906 3.645 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.319 -11.716 2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.009 -11.788 4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.906 -13.149 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.267 -13.556 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.265 -12.121 2.032 1.00 0.00 H new ATOM 939 N THR A 57 -0.774 -10.726 5.726 1.00 0.00 N ATOM 940 CA THR A 57 -1.727 -10.716 6.829 1.00 0.00 C ATOM 941 C THR A 57 -2.939 -9.852 6.501 1.00 0.00 C ATOM 942 O THR A 57 -4.018 -10.036 7.067 1.00 0.00 O ATOM 943 CB THR A 57 -1.078 -10.198 8.127 1.00 0.00 C ATOM 944 OG1 THR A 57 -0.251 -11.216 8.701 1.00 0.00 O ATOM 945 CG2 THR A 57 -2.140 -9.775 9.131 1.00 0.00 C ATOM 0 H THR A 57 0.027 -10.107 5.854 1.00 0.00 H new ATOM 0 HA THR A 57 -2.049 -11.747 6.978 1.00 0.00 H new ATOM 0 HB THR A 57 -0.467 -9.330 7.880 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.159 -10.878 9.525 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.658 -9.413 10.039 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.750 -8.980 8.702 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.774 -10.629 9.372 1.00 0.00 H new ATOM 953 N LEU A 58 -2.757 -8.908 5.583 1.00 0.00 N ATOM 954 CA LEU A 58 -3.836 -8.016 5.178 1.00 0.00 C ATOM 955 C LEU A 58 -4.440 -8.457 3.850 1.00 0.00 C ATOM 956 O LEU A 58 -5.557 -8.971 3.804 1.00 0.00 O ATOM 957 CB LEU A 58 -3.322 -6.579 5.066 1.00 0.00 C ATOM 958 CG LEU A 58 -2.861 -5.927 6.369 1.00 0.00 C ATOM 959 CD1 LEU A 58 -2.084 -4.651 6.082 1.00 0.00 C ATOM 960 CD2 LEU A 58 -4.052 -5.636 7.271 1.00 0.00 C ATOM 0 H LEU A 58 -1.871 -8.741 5.105 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.614 -8.059 5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.489 -6.566 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.113 -5.964 4.636 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.200 -6.622 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.764 -4.201 7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.209 -4.886 5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.721 -3.950 5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.705 -5.172 8.194 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.738 -4.960 6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.567 -6.568 7.505 1.00 0.00 H new ATOM 972 N SER A 59 -3.691 -8.258 2.770 1.00 0.00 N ATOM 973 CA SER A 59 -4.152 -8.634 1.439 1.00 0.00 C ATOM 974 C SER A 59 -4.549 -10.107 1.398 1.00 0.00 C ATOM 975 O SER A 59 -3.720 -10.991 1.611 1.00 0.00 O ATOM 976 CB SER A 59 -3.062 -8.359 0.401 1.00 0.00 C ATOM 977 OG SER A 59 -3.608 -8.282 -0.904 1.00 0.00 O ATOM 0 H SER A 59 -2.762 -7.838 2.791 1.00 0.00 H new ATOM 0 HA SER A 59 -5.029 -8.032 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.554 -7.425 0.642 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.312 -9.149 0.439 1.00 0.00 H new ATOM 0 HG SER A 59 -2.882 -8.264 -1.562 1.00 0.00 H new ATOM 983 N GLY A 60 -5.824 -10.363 1.121 1.00 0.00 N ATOM 984 CA GLY A 60 -6.310 -11.729 1.058 1.00 0.00 C ATOM 985 C GLY A 60 -6.705 -12.267 2.418 1.00 0.00 C ATOM 986 O GLY A 60 -7.316 -13.331 2.520 1.00 0.00 O ATOM 0 H GLY A 60 -6.529 -9.649 0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.169 -11.775 0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.537 -12.367 0.629 1.00 0.00 H new ATOM 990 N LYS A 61 -6.354 -11.533 3.469 1.00 0.00 N ATOM 991 CA LYS A 61 -6.675 -11.943 4.830 1.00 0.00 C ATOM 992 C LYS A 61 -7.428 -10.840 5.567 1.00 0.00 C ATOM 993 O LYS A 61 -7.699 -10.951 6.763 1.00 0.00 O ATOM 994 CB LYS A 61 -5.397 -12.298 5.593 1.00 0.00 C ATOM 995 CG LYS A 61 -5.003 -13.760 5.471 1.00 0.00 C ATOM 996 CD LYS A 61 -5.626 -14.599 6.574 1.00 0.00 C ATOM 997 CE LYS A 61 -7.006 -15.104 6.178 1.00 0.00 C ATOM 998 NZ LYS A 61 -8.077 -14.139 6.552 1.00 0.00 N ATOM 0 H LYS A 61 -5.847 -10.651 3.403 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.315 -12.823 4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.580 -11.678 5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.533 -12.053 6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.317 -14.143 4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.918 -13.850 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.978 -15.446 6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.702 -14.006 7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.034 -15.279 5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.195 -16.062 6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.704 -14.573 7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.647 -13.280 6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.630 -13.889 5.707 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.767 -9.777 4.844 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.492 -8.655 5.429 1.00 0.00 C ATOM 1014 C VAL A 62 -9.411 -8.000 4.404 1.00 0.00 C ATOM 1015 O VAL A 62 -9.006 -7.738 3.272 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.527 -7.593 5.989 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.282 -6.324 6.353 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -6.775 -8.140 7.194 1.00 0.00 C ATOM 0 H VAL A 62 -7.551 -9.669 3.853 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.091 -9.057 6.246 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.799 -7.345 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.584 -5.585 6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.771 -5.924 5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.034 -6.552 7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.098 -7.377 7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.487 -8.417 7.972 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.202 -9.018 6.897 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.650 -7.738 4.809 1.00 0.00 N ATOM 1029 CA GLU A 63 -11.626 -7.114 3.923 1.00 0.00 C ATOM 1030 C GLU A 63 -12.333 -5.957 4.623 1.00 0.00 C ATOM 1031 O GLU A 63 -12.536 -5.982 5.838 1.00 0.00 O ATOM 1032 CB GLU A 63 -12.654 -8.145 3.452 1.00 0.00 C ATOM 1033 CG GLU A 63 -13.661 -8.532 4.523 1.00 0.00 C ATOM 1034 CD GLU A 63 -13.132 -9.598 5.464 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -12.167 -9.309 6.203 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -13.681 -10.719 5.461 1.00 0.00 O ATOM 0 H GLU A 63 -11.001 -7.948 5.743 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.094 -6.722 3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.188 -7.746 2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.131 -9.040 3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.932 -7.647 5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.572 -8.893 4.046 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.706 -4.944 3.849 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.391 -3.777 4.393 1.00 0.00 C ATOM 1045 C LEU A 64 -14.674 -3.488 3.620 1.00 0.00 C ATOM 1046 O LEU A 64 -14.698 -3.551 2.391 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.470 -2.555 4.350 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.707 -1.499 5.430 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.841 -2.152 6.796 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.578 -0.478 5.433 1.00 0.00 C ATOM 0 H LEU A 64 -12.546 -4.907 2.842 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.654 -3.991 5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.439 -2.899 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.576 -2.079 3.375 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.639 -0.981 5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.009 -1.384 7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.683 -2.844 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.927 -2.697 7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.763 0.266 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.632 -0.982 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.530 0.014 4.461 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.739 -3.170 4.349 1.00 0.00 N ATOM 1063 CA HIS A 65 -17.025 -2.868 3.732 1.00 0.00 C ATOM 1064 C HIS A 65 -17.530 -4.057 2.919 1.00 0.00 C ATOM 1065 O HIS A 65 -18.212 -3.886 1.909 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.908 -1.635 2.836 1.00 0.00 C ATOM 1067 CG HIS A 65 -17.032 -0.340 3.579 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.223 0.343 3.707 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -16.106 0.394 4.237 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -18.023 1.443 4.410 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -16.747 1.498 4.745 1.00 0.00 N ATOM 0 H HIS A 65 -15.737 -3.115 5.368 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.742 -2.663 4.527 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.947 -1.659 2.323 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.681 -1.679 2.068 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.058 0.157 4.343 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -18.776 2.174 4.667 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.309 2.239 5.292 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.188 -5.261 3.366 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.614 -6.460 2.667 1.00 0.00 C ATOM 1081 C GLY A 66 -16.824 -6.702 1.396 1.00 0.00 C ATOM 1082 O GLY A 66 -17.184 -7.554 0.585 1.00 0.00 O ATOM 0 H GLY A 66 -16.624 -5.428 4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.505 -7.320 3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.673 -6.377 2.423 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.745 -5.948 1.220 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.901 -6.082 0.037 1.00 0.00 C ATOM 1088 C LYS A 67 -13.464 -6.405 0.430 1.00 0.00 C ATOM 1089 O LYS A 67 -12.890 -5.760 1.309 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.939 -4.796 -0.790 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.194 -4.652 -1.634 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.285 -3.273 -2.266 1.00 0.00 C ATOM 1093 CE LYS A 67 -17.029 -3.317 -3.592 1.00 0.00 C ATOM 1094 NZ LYS A 67 -16.252 -4.035 -4.640 1.00 0.00 N ATOM 0 H LYS A 67 -15.433 -5.237 1.882 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.288 -6.904 -0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.862 -3.940 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.067 -4.768 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.198 -5.412 -2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -17.073 -4.828 -1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.794 -2.592 -1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.282 -2.876 -2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.991 -3.809 -3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.236 -2.300 -3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.570 -3.726 -5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.240 -3.822 -4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.402 -5.059 -4.543 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.886 -7.405 -0.227 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.514 -7.811 0.051 1.00 0.00 C ATOM 1110 C ILE A 68 -10.524 -6.735 -0.380 1.00 0.00 C ATOM 1111 O ILE A 68 -10.549 -6.276 -1.522 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.162 -9.131 -0.658 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.227 -10.191 -0.368 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.789 -9.618 -0.220 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.195 -10.707 1.054 1.00 0.00 C ATOM 0 H ILE A 68 -13.347 -7.949 -0.956 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.441 -7.957 1.129 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.137 -8.953 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.212 -9.770 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.091 -11.028 -1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.555 -10.552 -0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.039 -8.868 -0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.788 -9.783 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.977 -11.455 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.223 -11.158 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.362 -9.881 1.745 1.00 0.00 H new ATOM 1127 N MET A 69 -9.651 -6.337 0.539 1.00 0.00 N ATOM 1128 CA MET A 69 -8.649 -5.317 0.252 1.00 0.00 C ATOM 1129 C MET A 69 -7.390 -5.942 -0.341 1.00 0.00 C ATOM 1130 O MET A 69 -6.871 -6.928 0.182 1.00 0.00 O ATOM 1131 CB MET A 69 -8.299 -4.544 1.525 1.00 0.00 C ATOM 1132 CG MET A 69 -7.158 -5.162 2.317 1.00 0.00 C ATOM 1133 SD MET A 69 -7.143 -4.633 4.040 1.00 0.00 S ATOM 1134 CE MET A 69 -6.951 -2.863 3.849 1.00 0.00 C ATOM 0 H MET A 69 -9.617 -6.705 1.490 1.00 0.00 H new ATOM 0 HA MET A 69 -9.069 -4.627 -0.480 1.00 0.00 H new ATOM 0 HB2 MET A 69 -8.033 -3.521 1.258 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.183 -4.488 2.161 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.238 -6.248 2.275 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.210 -4.894 1.850 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.137 -2.515 4.485 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.722 -2.632 2.809 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.876 -2.364 4.137 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.905 -5.363 -1.433 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.707 -5.865 -2.097 1.00 0.00 C ATOM 1146 C GLU A 70 -4.533 -4.910 -1.896 1.00 0.00 C ATOM 1147 O GLU A 70 -4.612 -3.731 -2.242 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.970 -6.063 -3.591 1.00 0.00 C ATOM 1149 CG GLU A 70 -6.625 -7.392 -3.923 1.00 0.00 C ATOM 1150 CD GLU A 70 -7.315 -7.381 -5.274 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -6.709 -6.878 -6.244 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -8.458 -7.875 -5.361 1.00 0.00 O ATOM 0 H GLU A 70 -7.322 -4.546 -1.878 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.451 -6.826 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.607 -5.254 -3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.026 -5.988 -4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.870 -8.178 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.353 -7.637 -3.149 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.446 -5.428 -1.335 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.255 -4.623 -1.089 1.00 0.00 C ATOM 1161 C VAL A 71 -1.080 -5.109 -1.931 1.00 0.00 C ATOM 1162 O VAL A 71 -0.749 -6.294 -1.928 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.854 -4.654 0.398 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.779 -3.617 0.683 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -3.071 -4.429 1.283 1.00 0.00 C ATOM 0 H VAL A 71 -3.365 -6.402 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.501 -3.599 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.445 -5.638 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.509 -3.654 1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.101 -3.829 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.158 -2.624 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.769 -4.454 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.512 -3.458 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.805 -5.213 1.098 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.454 -4.184 -2.650 1.00 0.00 N ATOM 1176 CA ASP A 72 0.687 -4.516 -3.497 1.00 0.00 C ATOM 1177 C ASP A 72 1.631 -3.327 -3.627 1.00 0.00 C ATOM 1178 O ASP A 72 1.217 -2.174 -3.492 1.00 0.00 O ATOM 1179 CB ASP A 72 0.209 -4.959 -4.881 1.00 0.00 C ATOM 1180 CG ASP A 72 1.286 -5.688 -5.659 1.00 0.00 C ATOM 1181 OD1 ASP A 72 2.070 -5.016 -6.360 1.00 0.00 O ATOM 1182 OD2 ASP A 72 1.345 -6.933 -5.567 1.00 0.00 O ATOM 0 H ASP A 72 -0.717 -3.199 -2.664 1.00 0.00 H new ATOM 0 HA ASP A 72 1.230 -5.337 -3.029 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.659 -5.609 -4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.116 -4.086 -5.447 1.00 0.00 H new ATOM 1187 N TYR A 73 2.902 -3.612 -3.888 1.00 0.00 N ATOM 1188 CA TYR A 73 3.907 -2.565 -4.033 1.00 0.00 C ATOM 1189 C TYR A 73 3.437 -1.490 -5.007 1.00 0.00 C ATOM 1190 O TYR A 73 2.494 -1.698 -5.773 1.00 0.00 O ATOM 1191 CB TYR A 73 5.230 -3.163 -4.516 1.00 0.00 C ATOM 1192 CG TYR A 73 5.719 -4.314 -3.666 1.00 0.00 C ATOM 1193 CD1 TYR A 73 5.794 -4.200 -2.284 1.00 0.00 C ATOM 1194 CD2 TYR A 73 6.109 -5.515 -4.247 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.241 -5.249 -1.503 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.557 -6.569 -3.474 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.621 -6.431 -2.104 1.00 0.00 C ATOM 1198 OH TYR A 73 7.068 -7.479 -1.331 1.00 0.00 O ATOM 0 H TYR A 73 3.261 -4.560 -4.004 1.00 0.00 H new ATOM 0 HA TYR A 73 4.058 -2.104 -3.057 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.111 -3.506 -5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.990 -2.382 -4.527 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.498 -3.275 -1.811 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.061 -5.626 -5.320 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.292 -5.144 -0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.855 -7.496 -3.941 1.00 0.00 H new ATOM 0 HH TYR A 73 7.295 -8.238 -1.908 1.00 0.00 H new ATOM 1208 N SER A 74 4.100 -0.338 -4.973 1.00 0.00 N ATOM 1209 CA SER A 74 3.750 0.773 -5.850 1.00 0.00 C ATOM 1210 C SER A 74 4.849 1.022 -6.877 1.00 0.00 C ATOM 1211 O SER A 74 5.819 1.731 -6.606 1.00 0.00 O ATOM 1212 CB SER A 74 3.505 2.040 -5.029 1.00 0.00 C ATOM 1213 OG SER A 74 3.473 3.188 -5.860 1.00 0.00 O ATOM 0 H SER A 74 4.883 -0.150 -4.347 1.00 0.00 H new ATOM 0 HA SER A 74 2.835 0.510 -6.381 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.562 1.951 -4.490 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.290 2.150 -4.281 1.00 0.00 H new ATOM 0 HG SER A 74 3.314 3.984 -5.312 1.00 0.00 H new