USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 515 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 14 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.3!) USER MOD Single : A 17 GLN : amide:sc= -0.315 X(o=-0.31,f=-0.73) USER MOD Single : A 20 MET CE :methyl 156:sc= -0.099 (180deg=-0.539) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 41 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.3) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -170:sc= -0.772 (180deg=-1.02) USER MOD Single : A 50 MET CE :methyl -117:sc= -0.576 (180deg=-4.85!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0122) USER MOD Single : A 74 GLN : amide:sc= -0.0281 K(o=-0.028,f=-1.3) USER MOD Single : A 75 GLN : amide:sc= -0.578 K(o=-0.58,f=-1.4) USER MOD Single : A 77 LYS NZ :NH3+ 163:sc= -0.0129 (180deg=-0.322) USER MOD Single : A 79 MET CE :methyl 157:sc= -2.42! (180deg=-3.79!) USER MOD ----------------------------------------------------------------- ATOM 131 N ASN A 14 4.450 9.985 11.162 1.00 0.00 N ATOM 132 CA ASN A 14 3.751 8.966 10.388 1.00 0.00 C ATOM 133 C ASN A 14 4.330 8.861 8.980 1.00 0.00 C ATOM 134 O ASN A 14 4.473 9.863 8.280 1.00 0.00 O ATOM 135 CB ASN A 14 2.257 9.288 10.315 1.00 0.00 C ATOM 136 CG ASN A 14 1.490 8.746 11.506 1.00 0.00 C ATOM 137 OD1 ASN A 14 2.014 7.951 12.286 1.00 0.00 O ATOM 138 ND2 ASN A 14 0.242 9.175 11.650 1.00 0.00 N ATOM 0 HA ASN A 14 3.885 8.007 10.889 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.123 10.368 10.261 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.842 8.869 9.398 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.324 8.845 12.432 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.151 9.835 10.979 1.00 0.00 H new ATOM 145 N ALA A 15 4.660 7.640 8.572 1.00 0.00 N ATOM 146 CA ALA A 15 5.220 7.403 7.248 1.00 0.00 C ATOM 147 C ALA A 15 4.123 7.095 6.235 1.00 0.00 C ATOM 148 O ALA A 15 3.120 6.462 6.564 1.00 0.00 O ATOM 149 CB ALA A 15 6.230 6.265 7.298 1.00 0.00 C ATOM 0 H ALA A 15 4.549 6.800 9.140 1.00 0.00 H new ATOM 0 HA ALA A 15 5.729 8.312 6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.640 6.099 6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.036 6.524 7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.737 5.356 7.644 1.00 0.00 H new ATOM 155 N VAL A 16 4.320 7.547 5.000 1.00 0.00 N ATOM 156 CA VAL A 16 3.347 7.319 3.938 1.00 0.00 C ATOM 157 C VAL A 16 4.037 6.959 2.628 1.00 0.00 C ATOM 158 O VAL A 16 4.897 7.695 2.146 1.00 0.00 O ATOM 159 CB VAL A 16 2.460 8.558 3.715 1.00 0.00 C ATOM 160 CG1 VAL A 16 3.270 9.692 3.105 1.00 0.00 C ATOM 161 CG2 VAL A 16 1.269 8.209 2.834 1.00 0.00 C ATOM 0 H VAL A 16 5.145 8.073 4.711 1.00 0.00 H new ATOM 0 HA VAL A 16 2.721 6.485 4.256 1.00 0.00 H new ATOM 0 HB VAL A 16 2.083 8.892 4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.627 10.559 2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.086 9.958 3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.678 9.373 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.653 9.096 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.624 7.849 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.676 7.431 3.315 1.00 0.00 H new ATOM 171 N GLN A 17 3.654 5.821 2.057 1.00 0.00 N ATOM 172 CA GLN A 17 4.237 5.363 0.801 1.00 0.00 C ATOM 173 C GLN A 17 3.168 5.225 -0.277 1.00 0.00 C ATOM 174 O GLN A 17 2.233 4.438 -0.139 1.00 0.00 O ATOM 175 CB GLN A 17 4.950 4.025 1.004 1.00 0.00 C ATOM 176 CG GLN A 17 6.416 4.167 1.382 1.00 0.00 C ATOM 177 CD GLN A 17 7.217 4.920 0.338 1.00 0.00 C ATOM 178 OE1 GLN A 17 7.405 4.442 -0.781 1.00 0.00 O ATOM 179 NE2 GLN A 17 7.695 6.105 0.700 1.00 0.00 N ATOM 0 H GLN A 17 2.943 5.200 2.444 1.00 0.00 H new ATOM 0 HA GLN A 17 4.963 6.107 0.473 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.435 3.463 1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.875 3.440 0.087 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.492 4.686 2.337 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.849 3.176 1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.515 6.463 1.638 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.242 6.657 0.040 1.00 0.00 H new ATOM 188 N GLU A 18 3.314 5.996 -1.351 1.00 0.00 N ATOM 189 CA GLU A 18 2.359 5.960 -2.452 1.00 0.00 C ATOM 190 C GLU A 18 2.907 5.145 -3.620 1.00 0.00 C ATOM 191 O GLU A 18 4.065 5.300 -4.010 1.00 0.00 O ATOM 192 CB GLU A 18 2.029 7.380 -2.917 1.00 0.00 C ATOM 193 CG GLU A 18 1.087 8.122 -1.984 1.00 0.00 C ATOM 194 CD GLU A 18 0.566 9.412 -2.586 1.00 0.00 C ATOM 195 OE1 GLU A 18 1.321 10.064 -3.337 1.00 0.00 O ATOM 196 OE2 GLU A 18 -0.598 9.770 -2.306 1.00 0.00 O ATOM 0 H GLU A 18 4.084 6.652 -1.481 1.00 0.00 H new ATOM 0 HA GLU A 18 1.447 5.482 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.955 7.947 -3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.582 7.333 -3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.245 7.476 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.606 8.344 -1.051 1.00 0.00 H new ATOM 203 N ILE A 19 2.067 4.277 -4.174 1.00 0.00 N ATOM 204 CA ILE A 19 2.466 3.438 -5.297 1.00 0.00 C ATOM 205 C ILE A 19 1.398 3.432 -6.385 1.00 0.00 C ATOM 206 O ILE A 19 0.266 3.859 -6.160 1.00 0.00 O ATOM 207 CB ILE A 19 2.735 1.989 -4.850 1.00 0.00 C ATOM 208 CG1 ILE A 19 1.889 1.645 -3.623 1.00 0.00 C ATOM 209 CG2 ILE A 19 4.214 1.793 -4.552 1.00 0.00 C ATOM 210 CD1 ILE A 19 2.468 2.163 -2.325 1.00 0.00 C ATOM 0 H ILE A 19 1.106 4.137 -3.863 1.00 0.00 H new ATOM 0 HA ILE A 19 3.387 3.863 -5.697 1.00 0.00 H new ATOM 0 HB ILE A 19 2.455 1.316 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.888 2.056 -3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.782 0.562 -3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.389 0.764 -4.237 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.797 2.002 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.518 2.472 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.816 1.882 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.457 1.732 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.549 3.249 -2.370 1.00 0.00 H new ATOM 222 N MET A 20 1.766 2.944 -7.565 1.00 0.00 N ATOM 223 CA MET A 20 0.838 2.879 -8.688 1.00 0.00 C ATOM 224 C MET A 20 0.184 1.504 -8.774 1.00 0.00 C ATOM 225 O MET A 20 0.870 0.482 -8.827 1.00 0.00 O ATOM 226 CB MET A 20 1.565 3.194 -9.997 1.00 0.00 C ATOM 227 CG MET A 20 2.537 2.108 -10.428 1.00 0.00 C ATOM 228 SD MET A 20 1.769 0.870 -11.490 1.00 0.00 S ATOM 229 CE MET A 20 1.494 1.825 -12.980 1.00 0.00 C ATOM 0 H MET A 20 2.700 2.588 -7.768 1.00 0.00 H new ATOM 0 HA MET A 20 0.058 3.623 -8.526 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.828 3.344 -10.786 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.108 4.133 -9.885 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.375 2.564 -10.955 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.945 1.619 -9.543 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.436 1.154 -13.837 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.560 2.380 -12.889 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.319 2.523 -13.122 1.00 0.00 H new ATOM 239 N ILE A 21 -1.145 1.485 -8.789 1.00 0.00 N ATOM 240 CA ILE A 21 -1.890 0.235 -8.870 1.00 0.00 C ATOM 241 C ILE A 21 -2.812 0.222 -10.084 1.00 0.00 C ATOM 242 O ILE A 21 -3.645 1.109 -10.271 1.00 0.00 O ATOM 243 CB ILE A 21 -2.728 -0.004 -7.600 1.00 0.00 C ATOM 244 CG1 ILE A 21 -1.931 0.391 -6.355 1.00 0.00 C ATOM 245 CG2 ILE A 21 -3.163 -1.459 -7.519 1.00 0.00 C ATOM 246 CD1 ILE A 21 -0.718 -0.479 -6.114 1.00 0.00 C ATOM 0 H ILE A 21 -1.727 2.321 -8.746 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.155 -0.564 -8.967 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.621 0.619 -7.649 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.611 1.428 -6.452 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.584 0.340 -5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.754 -1.612 -6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.764 -1.708 -8.393 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.283 -2.101 -7.489 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.201 -0.142 -5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.033 -1.514 -5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.044 -0.409 -6.968 1.00 0.00 H new ATOM 258 N PRO A 22 -2.662 -0.808 -10.930 1.00 0.00 N ATOM 259 CA PRO A 22 -3.474 -0.963 -12.141 1.00 0.00 C ATOM 260 C PRO A 22 -4.925 -1.307 -11.825 1.00 0.00 C ATOM 261 O PRO A 22 -5.212 -2.348 -11.235 1.00 0.00 O ATOM 262 CB PRO A 22 -2.797 -2.123 -12.876 1.00 0.00 C ATOM 263 CG PRO A 22 -2.116 -2.904 -11.805 1.00 0.00 C ATOM 264 CD PRO A 22 -1.688 -1.901 -10.770 1.00 0.00 C ATOM 0 HA PRO A 22 -3.520 -0.042 -12.722 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.526 -2.734 -13.409 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.084 -1.760 -13.616 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.789 -3.646 -11.375 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.257 -3.445 -12.203 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.719 -2.323 -9.765 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.668 -1.558 -10.941 1.00 0.00 H new ATOM 272 N ALA A 23 -5.837 -0.425 -12.221 1.00 0.00 N ATOM 273 CA ALA A 23 -7.259 -0.637 -11.982 1.00 0.00 C ATOM 274 C ALA A 23 -7.631 -2.107 -12.147 1.00 0.00 C ATOM 275 O ALA A 23 -8.531 -2.609 -11.474 1.00 0.00 O ATOM 276 CB ALA A 23 -8.087 0.227 -12.922 1.00 0.00 C ATOM 0 H ALA A 23 -5.616 0.443 -12.709 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.476 -0.348 -10.954 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.147 0.058 -12.732 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.851 1.278 -12.753 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.857 -0.035 -13.955 1.00 0.00 H new ATOM 282 N SER A 24 -6.932 -2.792 -13.046 1.00 0.00 N ATOM 283 CA SER A 24 -7.191 -4.204 -13.303 1.00 0.00 C ATOM 284 C SER A 24 -6.931 -5.040 -12.053 1.00 0.00 C ATOM 285 O SER A 24 -7.777 -5.829 -11.632 1.00 0.00 O ATOM 286 CB SER A 24 -6.318 -4.704 -14.455 1.00 0.00 C ATOM 287 OG SER A 24 -6.682 -6.019 -14.837 1.00 0.00 O ATOM 0 H SER A 24 -6.181 -2.392 -13.609 1.00 0.00 H new ATOM 0 HA SER A 24 -8.240 -4.311 -13.579 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.418 -4.033 -15.308 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.270 -4.686 -14.156 1.00 0.00 H new ATOM 0 HG SER A 24 -6.110 -6.315 -15.576 1.00 0.00 H new ATOM 293 N LYS A 25 -5.754 -4.860 -11.464 1.00 0.00 N ATOM 294 CA LYS A 25 -5.379 -5.595 -10.261 1.00 0.00 C ATOM 295 C LYS A 25 -5.941 -4.921 -9.014 1.00 0.00 C ATOM 296 O LYS A 25 -5.804 -5.434 -7.904 1.00 0.00 O ATOM 297 CB LYS A 25 -3.856 -5.699 -10.156 1.00 0.00 C ATOM 298 CG LYS A 25 -3.182 -6.103 -11.455 1.00 0.00 C ATOM 299 CD LYS A 25 -3.148 -7.614 -11.619 1.00 0.00 C ATOM 300 CE LYS A 25 -2.792 -8.012 -13.043 1.00 0.00 C ATOM 301 NZ LYS A 25 -2.438 -9.455 -13.144 1.00 0.00 N ATOM 0 H LYS A 25 -5.042 -4.211 -11.800 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.801 -6.597 -10.332 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.456 -4.738 -9.833 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.602 -6.425 -9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.713 -5.657 -12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.165 -5.711 -11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.420 -8.040 -10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.120 -8.032 -11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.634 -7.798 -13.701 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.954 -7.407 -13.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.202 -9.686 -14.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.619 -9.655 -12.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.246 -10.033 -12.837 1.00 0.00 H new ATOM 315 N ALA A 26 -6.576 -3.769 -9.205 1.00 0.00 N ATOM 316 CA ALA A 26 -7.162 -3.026 -8.096 1.00 0.00 C ATOM 317 C ALA A 26 -8.260 -3.834 -7.414 1.00 0.00 C ATOM 318 O ALA A 26 -8.328 -3.895 -6.187 1.00 0.00 O ATOM 319 CB ALA A 26 -7.710 -1.693 -8.584 1.00 0.00 C ATOM 0 H ALA A 26 -6.698 -3.330 -10.118 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.378 -2.837 -7.363 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.144 -1.149 -7.745 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.902 -1.105 -9.019 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.477 -1.869 -9.338 1.00 0.00 H new ATOM 325 N GLY A 27 -9.119 -4.454 -8.217 1.00 0.00 N ATOM 326 CA GLY A 27 -10.203 -5.250 -7.672 1.00 0.00 C ATOM 327 C GLY A 27 -9.727 -6.579 -7.121 1.00 0.00 C ATOM 328 O GLY A 27 -10.527 -7.385 -6.645 1.00 0.00 O ATOM 0 H GLY A 27 -9.083 -4.419 -9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.699 -4.689 -6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.946 -5.428 -8.450 1.00 0.00 H new ATOM 332 N LEU A 28 -8.420 -6.809 -7.185 1.00 0.00 N ATOM 333 CA LEU A 28 -7.837 -8.052 -6.689 1.00 0.00 C ATOM 334 C LEU A 28 -7.298 -7.873 -5.274 1.00 0.00 C ATOM 335 O LEU A 28 -7.611 -8.655 -4.376 1.00 0.00 O ATOM 336 CB LEU A 28 -6.717 -8.519 -7.620 1.00 0.00 C ATOM 337 CG LEU A 28 -7.153 -9.322 -8.846 1.00 0.00 C ATOM 338 CD1 LEU A 28 -7.580 -8.390 -9.969 1.00 0.00 C ATOM 339 CD2 LEU A 28 -6.031 -10.240 -9.309 1.00 0.00 C ATOM 0 H LEU A 28 -7.744 -6.152 -7.575 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.621 -8.809 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.167 -7.642 -7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.021 -9.126 -7.042 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.008 -9.939 -8.568 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.887 -8.979 -10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.415 -7.775 -9.634 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.744 -7.747 -10.246 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.359 -10.804 -10.182 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.157 -9.643 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.772 -10.931 -8.507 1.00 0.00 H new ATOM 351 N VAL A 29 -6.487 -6.838 -5.081 1.00 0.00 N ATOM 352 CA VAL A 29 -5.907 -6.554 -3.774 1.00 0.00 C ATOM 353 C VAL A 29 -6.926 -5.895 -2.852 1.00 0.00 C ATOM 354 O VAL A 29 -6.743 -5.856 -1.635 1.00 0.00 O ATOM 355 CB VAL A 29 -4.673 -5.640 -3.894 1.00 0.00 C ATOM 356 CG1 VAL A 29 -4.998 -4.411 -4.729 1.00 0.00 C ATOM 357 CG2 VAL A 29 -4.170 -5.240 -2.515 1.00 0.00 C ATOM 0 H VAL A 29 -6.217 -6.182 -5.814 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.602 -7.510 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.881 -6.193 -4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.114 -3.777 -4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.307 -4.721 -5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.806 -3.853 -4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.298 -4.594 -2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.956 -4.705 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.895 -6.134 -1.955 1.00 0.00 H new ATOM 367 N ILE A 30 -8.000 -5.378 -3.439 1.00 0.00 N ATOM 368 CA ILE A 30 -9.049 -4.721 -2.669 1.00 0.00 C ATOM 369 C ILE A 30 -10.179 -5.691 -2.341 1.00 0.00 C ATOM 370 O ILE A 30 -10.624 -5.779 -1.197 1.00 0.00 O ATOM 371 CB ILE A 30 -9.630 -3.512 -3.426 1.00 0.00 C ATOM 372 CG1 ILE A 30 -8.540 -2.467 -3.673 1.00 0.00 C ATOM 373 CG2 ILE A 30 -10.786 -2.904 -2.646 1.00 0.00 C ATOM 374 CD1 ILE A 30 -9.039 -1.230 -4.387 1.00 0.00 C ATOM 0 H ILE A 30 -8.167 -5.401 -4.445 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.590 -4.374 -1.743 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.007 -3.853 -4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.105 -2.174 -2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.741 -2.919 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -11.186 -2.051 -3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.569 -3.651 -2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.432 -2.574 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.213 -0.533 -4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.447 -1.510 -5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.817 -0.754 -3.790 1.00 0.00 H new ATOM 386 N GLY A 31 -10.639 -6.420 -3.354 1.00 0.00 N ATOM 387 CA GLY A 31 -11.712 -7.376 -3.152 1.00 0.00 C ATOM 388 C GLY A 31 -13.080 -6.771 -3.394 1.00 0.00 C ATOM 389 O GLY A 31 -13.208 -5.761 -4.086 1.00 0.00 O ATOM 0 H GLY A 31 -10.288 -6.365 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.570 -8.224 -3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.664 -7.762 -2.134 1.00 0.00 H new ATOM 393 N LYS A 32 -14.108 -7.391 -2.824 1.00 0.00 N ATOM 394 CA LYS A 32 -15.475 -6.908 -2.981 1.00 0.00 C ATOM 395 C LYS A 32 -15.831 -5.914 -1.880 1.00 0.00 C ATOM 396 O LYS A 32 -16.603 -6.225 -0.975 1.00 0.00 O ATOM 397 CB LYS A 32 -16.458 -8.081 -2.960 1.00 0.00 C ATOM 398 CG LYS A 32 -16.507 -8.857 -4.264 1.00 0.00 C ATOM 399 CD LYS A 32 -16.952 -10.293 -4.043 1.00 0.00 C ATOM 400 CE LYS A 32 -15.788 -11.179 -3.625 1.00 0.00 C ATOM 401 NZ LYS A 32 -16.219 -12.584 -3.383 1.00 0.00 N ATOM 0 H LYS A 32 -14.020 -8.229 -2.249 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.545 -6.399 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.183 -8.760 -2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.455 -7.704 -2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -17.192 -8.365 -4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.522 -8.848 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -17.726 -10.321 -3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -17.397 -10.682 -4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.022 -11.163 -4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.333 -10.778 -2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.397 -13.155 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.931 -12.603 -2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.630 -12.976 -4.254 1.00 0.00 H new ATOM 415 N GLY A 33 -15.263 -4.715 -1.966 1.00 0.00 N ATOM 416 CA GLY A 33 -15.533 -3.693 -0.972 1.00 0.00 C ATOM 417 C GLY A 33 -14.510 -3.687 0.147 1.00 0.00 C ATOM 418 O GLY A 33 -14.867 -3.698 1.324 1.00 0.00 O ATOM 0 H GLY A 33 -14.621 -4.433 -2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.545 -2.716 -1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.526 -3.853 -0.551 1.00 0.00 H new ATOM 422 N GLY A 34 -13.233 -3.671 -0.221 1.00 0.00 N ATOM 423 CA GLY A 34 -12.174 -3.667 0.772 1.00 0.00 C ATOM 424 C GLY A 34 -12.171 -4.922 1.621 1.00 0.00 C ATOM 425 O GLY A 34 -12.110 -4.849 2.848 1.00 0.00 O ATOM 0 H GLY A 34 -12.912 -3.661 -1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.211 -3.569 0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.288 -2.796 1.417 1.00 0.00 H new ATOM 429 N GLU A 35 -12.237 -6.078 0.967 1.00 0.00 N ATOM 430 CA GLU A 35 -12.244 -7.354 1.671 1.00 0.00 C ATOM 431 C GLU A 35 -10.826 -7.897 1.826 1.00 0.00 C ATOM 432 O GLU A 35 -10.489 -8.506 2.842 1.00 0.00 O ATOM 433 CB GLU A 35 -13.112 -8.369 0.925 1.00 0.00 C ATOM 434 CG GLU A 35 -14.589 -8.275 1.267 1.00 0.00 C ATOM 435 CD GLU A 35 -14.899 -8.783 2.661 1.00 0.00 C ATOM 436 OE1 GLU A 35 -14.852 -10.015 2.867 1.00 0.00 O ATOM 437 OE2 GLU A 35 -15.188 -7.952 3.547 1.00 0.00 O ATOM 0 H GLU A 35 -12.286 -6.156 -0.049 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.663 -7.190 2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.986 -8.223 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.758 -9.374 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.912 -7.237 1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.164 -8.848 0.539 1.00 0.00 H new ATOM 444 N THR A 36 -9.999 -7.674 0.810 1.00 0.00 N ATOM 445 CA THR A 36 -8.618 -8.141 0.831 1.00 0.00 C ATOM 446 C THR A 36 -7.693 -7.097 1.445 1.00 0.00 C ATOM 447 O THR A 36 -7.115 -7.316 2.510 1.00 0.00 O ATOM 448 CB THR A 36 -8.119 -8.483 -0.586 1.00 0.00 C ATOM 449 OG1 THR A 36 -8.852 -9.597 -1.108 1.00 0.00 O ATOM 450 CG2 THR A 36 -6.633 -8.808 -0.573 1.00 0.00 C ATOM 0 H THR A 36 -10.261 -7.173 -0.039 1.00 0.00 H new ATOM 0 HA THR A 36 -8.599 -9.043 1.443 1.00 0.00 H new ATOM 0 HB THR A 36 -8.279 -7.613 -1.223 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.530 -9.807 -2.009 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.304 -9.046 -1.584 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.076 -7.947 -0.203 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.453 -9.664 0.078 1.00 0.00 H new ATOM 458 N ILE A 37 -7.558 -5.961 0.768 1.00 0.00 N ATOM 459 CA ILE A 37 -6.704 -4.883 1.249 1.00 0.00 C ATOM 460 C ILE A 37 -6.909 -4.643 2.741 1.00 0.00 C ATOM 461 O ILE A 37 -5.953 -4.626 3.516 1.00 0.00 O ATOM 462 CB ILE A 37 -6.972 -3.571 0.488 1.00 0.00 C ATOM 463 CG1 ILE A 37 -6.240 -2.407 1.161 1.00 0.00 C ATOM 464 CG2 ILE A 37 -8.467 -3.294 0.420 1.00 0.00 C ATOM 465 CD1 ILE A 37 -6.561 -1.060 0.553 1.00 0.00 C ATOM 0 H ILE A 37 -8.029 -5.764 -0.115 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.674 -5.193 1.072 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.594 -3.675 -0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.498 -2.390 2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.165 -2.579 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.640 -2.364 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.966 -4.113 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.867 -3.207 1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.008 -0.282 1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.277 -1.059 -0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.630 -0.867 0.640 1.00 0.00 H new ATOM 477 N LYS A 38 -8.164 -4.461 3.138 1.00 0.00 N ATOM 478 CA LYS A 38 -8.497 -4.225 4.538 1.00 0.00 C ATOM 479 C LYS A 38 -7.714 -5.166 5.449 1.00 0.00 C ATOM 480 O LYS A 38 -7.230 -4.760 6.505 1.00 0.00 O ATOM 481 CB LYS A 38 -9.999 -4.412 4.765 1.00 0.00 C ATOM 482 CG LYS A 38 -10.456 -4.025 6.160 1.00 0.00 C ATOM 483 CD LYS A 38 -11.962 -4.159 6.311 1.00 0.00 C ATOM 484 CE LYS A 38 -12.500 -3.231 7.390 1.00 0.00 C ATOM 485 NZ LYS A 38 -12.026 -3.624 8.746 1.00 0.00 N ATOM 0 H LYS A 38 -8.967 -4.472 2.510 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.224 -3.199 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.545 -3.816 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.258 -5.455 4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.958 -4.657 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.158 -2.997 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.445 -3.932 5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.213 -5.190 6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.188 -2.208 7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.590 -3.242 7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.414 -2.968 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.345 -4.591 8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.987 -3.589 8.774 1.00 0.00 H new ATOM 499 N GLN A 39 -7.594 -6.422 5.032 1.00 0.00 N ATOM 500 CA GLN A 39 -6.869 -7.419 5.812 1.00 0.00 C ATOM 501 C GLN A 39 -5.364 -7.193 5.719 1.00 0.00 C ATOM 502 O GLN A 39 -4.635 -7.382 6.694 1.00 0.00 O ATOM 503 CB GLN A 39 -7.216 -8.827 5.326 1.00 0.00 C ATOM 504 CG GLN A 39 -8.589 -9.303 5.772 1.00 0.00 C ATOM 505 CD GLN A 39 -8.866 -10.740 5.376 1.00 0.00 C ATOM 506 OE1 GLN A 39 -8.410 -11.207 4.332 1.00 0.00 O ATOM 507 NE2 GLN A 39 -9.616 -11.451 6.209 1.00 0.00 N ATOM 0 H GLN A 39 -7.989 -6.774 4.160 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.169 -7.317 6.855 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.169 -8.848 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.462 -9.525 5.691 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.669 -9.207 6.855 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.352 -8.657 5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.974 -11.024 7.064 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.835 -12.424 5.994 1.00 0.00 H new ATOM 516 N LEU A 40 -4.903 -6.787 4.541 1.00 0.00 N ATOM 517 CA LEU A 40 -3.483 -6.535 4.320 1.00 0.00 C ATOM 518 C LEU A 40 -2.962 -5.474 5.284 1.00 0.00 C ATOM 519 O LEU A 40 -1.753 -5.312 5.450 1.00 0.00 O ATOM 520 CB LEU A 40 -3.242 -6.091 2.876 1.00 0.00 C ATOM 521 CG LEU A 40 -3.231 -7.202 1.826 1.00 0.00 C ATOM 522 CD1 LEU A 40 -3.222 -6.611 0.424 1.00 0.00 C ATOM 523 CD2 LEU A 40 -2.031 -8.116 2.029 1.00 0.00 C ATOM 0 H LEU A 40 -5.492 -6.625 3.724 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.942 -7.463 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.013 -5.370 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.287 -5.568 2.832 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.138 -7.795 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.214 -7.416 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.112 -5.999 0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.333 -5.994 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.039 -8.901 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.113 -7.536 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.080 -8.567 3.020 1.00 0.00 H new ATOM 535 N GLN A 41 -3.883 -4.755 5.918 1.00 0.00 N ATOM 536 CA GLN A 41 -3.515 -3.710 6.867 1.00 0.00 C ATOM 537 C GLN A 41 -2.987 -4.314 8.164 1.00 0.00 C ATOM 538 O GLN A 41 -2.120 -3.737 8.820 1.00 0.00 O ATOM 539 CB GLN A 41 -4.719 -2.813 7.162 1.00 0.00 C ATOM 540 CG GLN A 41 -5.085 -1.889 6.012 1.00 0.00 C ATOM 541 CD GLN A 41 -6.309 -1.045 6.308 1.00 0.00 C ATOM 542 OE1 GLN A 41 -6.454 -0.504 7.405 1.00 0.00 O ATOM 543 NE2 GLN A 41 -7.199 -0.929 5.329 1.00 0.00 N ATOM 0 H GLN A 41 -4.888 -4.876 5.792 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.724 -3.109 6.419 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.578 -3.439 7.401 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.506 -2.212 8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.241 -1.234 5.794 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.266 -2.484 5.117 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.038 -1.395 4.436 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.043 -0.374 5.470 1.00 0.00 H new ATOM 552 N GLU A 42 -3.515 -5.478 8.527 1.00 0.00 N ATOM 553 CA GLU A 42 -3.096 -6.159 9.747 1.00 0.00 C ATOM 554 C GLU A 42 -1.830 -6.976 9.507 1.00 0.00 C ATOM 555 O GLU A 42 -0.903 -6.957 10.316 1.00 0.00 O ATOM 556 CB GLU A 42 -4.214 -7.069 10.260 1.00 0.00 C ATOM 557 CG GLU A 42 -5.475 -6.320 10.655 1.00 0.00 C ATOM 558 CD GLU A 42 -6.474 -7.200 11.380 1.00 0.00 C ATOM 559 OE1 GLU A 42 -6.281 -7.446 12.589 1.00 0.00 O ATOM 560 OE2 GLU A 42 -7.449 -7.644 10.738 1.00 0.00 O ATOM 0 H GLU A 42 -4.233 -5.969 7.995 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.881 -5.401 10.500 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.461 -7.798 9.488 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.849 -7.629 11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.208 -5.478 11.294 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.942 -5.907 9.761 1.00 0.00 H new ATOM 567 N ARG A 43 -1.800 -7.694 8.388 1.00 0.00 N ATOM 568 CA ARG A 43 -0.650 -8.520 8.042 1.00 0.00 C ATOM 569 C ARG A 43 0.635 -7.697 8.055 1.00 0.00 C ATOM 570 O ARG A 43 1.709 -8.209 8.368 1.00 0.00 O ATOM 571 CB ARG A 43 -0.847 -9.154 6.664 1.00 0.00 C ATOM 572 CG ARG A 43 -1.555 -10.499 6.707 1.00 0.00 C ATOM 573 CD ARG A 43 -1.557 -11.172 5.344 1.00 0.00 C ATOM 574 NE ARG A 43 -0.342 -11.947 5.114 1.00 0.00 N ATOM 575 CZ ARG A 43 0.003 -12.440 3.929 1.00 0.00 C ATOM 576 NH1 ARG A 43 -0.772 -12.237 2.872 1.00 0.00 N ATOM 577 NH2 ARG A 43 1.125 -13.136 3.799 1.00 0.00 N ATOM 0 H ARG A 43 -2.559 -7.720 7.707 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.564 -9.309 8.789 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.421 -8.471 6.038 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.126 -9.280 6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.064 -11.147 7.433 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.581 -10.360 7.047 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.425 -11.827 5.264 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.657 -10.415 4.566 1.00 0.00 H new ATOM 0 HE ARG A 43 0.277 -12.120 5.906 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.635 -11.702 2.968 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.505 -12.616 1.964 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.724 -13.293 4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.388 -13.514 2.889 1.00 0.00 H new ATOM 591 N ALA A 44 0.515 -6.418 7.713 1.00 0.00 N ATOM 592 CA ALA A 44 1.666 -5.524 7.687 1.00 0.00 C ATOM 593 C ALA A 44 1.640 -4.561 8.869 1.00 0.00 C ATOM 594 O ALA A 44 2.682 -4.082 9.315 1.00 0.00 O ATOM 595 CB ALA A 44 1.705 -4.752 6.376 1.00 0.00 C ATOM 0 H ALA A 44 -0.367 -5.978 7.450 1.00 0.00 H new ATOM 0 HA ALA A 44 2.568 -6.131 7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.570 -4.088 6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.779 -5.452 5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.794 -4.162 6.274 1.00 0.00 H new ATOM 601 N GLY A 45 0.441 -4.282 9.373 1.00 0.00 N ATOM 602 CA GLY A 45 0.303 -3.377 10.499 1.00 0.00 C ATOM 603 C GLY A 45 0.287 -1.922 10.075 1.00 0.00 C ATOM 604 O GLY A 45 0.739 -1.047 10.814 1.00 0.00 O ATOM 0 H GLY A 45 -0.436 -4.666 9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.618 -3.606 11.035 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.126 -3.540 11.195 1.00 0.00 H new ATOM 608 N VAL A 46 -0.233 -1.661 8.880 1.00 0.00 N ATOM 609 CA VAL A 46 -0.305 -0.301 8.358 1.00 0.00 C ATOM 610 C VAL A 46 -1.684 -0.008 7.778 1.00 0.00 C ATOM 611 O VAL A 46 -2.526 -0.899 7.666 1.00 0.00 O ATOM 612 CB VAL A 46 0.758 -0.061 7.270 1.00 0.00 C ATOM 613 CG1 VAL A 46 2.156 -0.109 7.869 1.00 0.00 C ATOM 614 CG2 VAL A 46 0.615 -1.080 6.150 1.00 0.00 C ATOM 0 H VAL A 46 -0.611 -2.373 8.255 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.116 0.370 9.196 1.00 0.00 H new ATOM 0 HB VAL A 46 0.602 0.932 6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.894 0.063 7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.251 0.663 8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.326 -1.087 8.319 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.374 -0.895 5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.743 -2.084 6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.375 -0.992 5.702 1.00 0.00 H new ATOM 624 N LYS A 47 -1.910 1.249 7.410 1.00 0.00 N ATOM 625 CA LYS A 47 -3.187 1.662 6.840 1.00 0.00 C ATOM 626 C LYS A 47 -3.085 1.806 5.325 1.00 0.00 C ATOM 627 O LYS A 47 -2.257 2.563 4.818 1.00 0.00 O ATOM 628 CB LYS A 47 -3.641 2.986 7.459 1.00 0.00 C ATOM 629 CG LYS A 47 -5.147 3.180 7.444 1.00 0.00 C ATOM 630 CD LYS A 47 -5.542 4.525 8.031 1.00 0.00 C ATOM 631 CE LYS A 47 -7.050 4.638 8.199 1.00 0.00 C ATOM 632 NZ LYS A 47 -7.513 4.026 9.475 1.00 0.00 N ATOM 0 H LYS A 47 -1.225 2.000 7.496 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.924 0.891 7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.287 3.036 8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.172 3.809 6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.514 3.107 6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.623 2.380 8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.056 4.658 8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.186 5.325 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.341 5.688 8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.546 4.149 7.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.546 4.123 9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.258 3.018 9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.059 4.509 10.276 1.00 0.00 H new ATOM 646 N MET A 48 -3.932 1.075 4.608 1.00 0.00 N ATOM 647 CA MET A 48 -3.938 1.124 3.150 1.00 0.00 C ATOM 648 C MET A 48 -5.176 1.852 2.636 1.00 0.00 C ATOM 649 O MET A 48 -6.306 1.447 2.912 1.00 0.00 O ATOM 650 CB MET A 48 -3.886 -0.291 2.571 1.00 0.00 C ATOM 651 CG MET A 48 -2.512 -0.934 2.660 1.00 0.00 C ATOM 652 SD MET A 48 -2.513 -2.654 2.118 1.00 0.00 S ATOM 653 CE MET A 48 -0.842 -3.142 2.538 1.00 0.00 C ATOM 0 H MET A 48 -4.622 0.442 5.012 1.00 0.00 H new ATOM 0 HA MET A 48 -3.054 1.674 2.826 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.606 -0.917 3.098 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.196 -0.259 1.527 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.809 -0.366 2.051 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.157 -0.882 3.689 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.629 -4.120 2.106 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.139 -2.410 2.142 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.740 -3.194 3.622 1.00 0.00 H new ATOM 663 N VAL A 49 -4.957 2.928 1.887 1.00 0.00 N ATOM 664 CA VAL A 49 -6.055 3.711 1.333 1.00 0.00 C ATOM 665 C VAL A 49 -5.791 4.075 -0.124 1.00 0.00 C ATOM 666 O VAL A 49 -4.857 4.816 -0.429 1.00 0.00 O ATOM 667 CB VAL A 49 -6.285 5.003 2.140 1.00 0.00 C ATOM 668 CG1 VAL A 49 -7.385 5.840 1.505 1.00 0.00 C ATOM 669 CG2 VAL A 49 -6.622 4.674 3.586 1.00 0.00 C ATOM 0 H VAL A 49 -4.029 3.277 1.650 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.949 3.090 1.392 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.365 5.587 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.534 6.749 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.099 6.105 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.312 5.267 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.781 5.598 4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.528 4.069 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.798 4.118 4.034 1.00 0.00 H new ATOM 679 N MET A 50 -6.620 3.549 -1.019 1.00 0.00 N ATOM 680 CA MET A 50 -6.477 3.820 -2.445 1.00 0.00 C ATOM 681 C MET A 50 -6.907 5.247 -2.772 1.00 0.00 C ATOM 682 O MET A 50 -8.019 5.661 -2.443 1.00 0.00 O ATOM 683 CB MET A 50 -7.305 2.825 -3.260 1.00 0.00 C ATOM 684 CG MET A 50 -6.684 1.440 -3.339 1.00 0.00 C ATOM 685 SD MET A 50 -5.588 1.249 -4.758 1.00 0.00 S ATOM 686 CE MET A 50 -5.355 -0.527 -4.770 1.00 0.00 C ATOM 0 H MET A 50 -7.398 2.933 -0.783 1.00 0.00 H new ATOM 0 HA MET A 50 -5.425 3.707 -2.708 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.299 2.744 -2.819 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.435 3.214 -4.270 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.125 1.244 -2.424 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.476 0.694 -3.394 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.304 -0.757 -4.597 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.960 -0.979 -3.984 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.659 -0.927 -5.737 1.00 0.00 H new ATOM 696 N ILE A 51 -6.020 5.993 -3.422 1.00 0.00 N ATOM 697 CA ILE A 51 -6.309 7.372 -3.795 1.00 0.00 C ATOM 698 C ILE A 51 -6.890 7.451 -5.203 1.00 0.00 C ATOM 699 O ILE A 51 -6.258 7.026 -6.169 1.00 0.00 O ATOM 700 CB ILE A 51 -5.047 8.251 -3.722 1.00 0.00 C ATOM 701 CG1 ILE A 51 -4.314 8.021 -2.399 1.00 0.00 C ATOM 702 CG2 ILE A 51 -5.414 9.719 -3.881 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.177 8.260 -1.180 1.00 0.00 C ATOM 0 H ILE A 51 -5.095 5.665 -3.701 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.043 7.745 -3.081 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.381 7.972 -4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.939 6.998 -2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.446 8.679 -2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.511 10.328 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.897 9.871 -4.846 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.097 10.012 -3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.592 8.078 -0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.531 9.291 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.031 7.583 -1.201 1.00 0.00 H new ATOM 827 N ASP A 61 -3.979 4.380 -14.119 1.00 0.00 N ATOM 828 CA ASP A 61 -3.597 3.707 -12.883 1.00 0.00 C ATOM 829 C ASP A 61 -4.204 4.409 -11.672 1.00 0.00 C ATOM 830 O ASP A 61 -4.803 5.478 -11.796 1.00 0.00 O ATOM 831 CB ASP A 61 -2.074 3.662 -12.752 1.00 0.00 C ATOM 832 CG ASP A 61 -1.508 4.927 -12.137 1.00 0.00 C ATOM 833 OD1 ASP A 61 -1.675 5.118 -10.914 1.00 0.00 O ATOM 834 OD2 ASP A 61 -0.899 5.726 -12.878 1.00 0.00 O ATOM 0 HA ASP A 61 -3.981 2.688 -12.919 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.790 2.806 -12.140 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.632 3.511 -13.737 1.00 0.00 H new ATOM 839 N LYS A 62 -4.046 3.801 -10.501 1.00 0.00 N ATOM 840 CA LYS A 62 -4.577 4.366 -9.267 1.00 0.00 C ATOM 841 C LYS A 62 -3.509 4.397 -8.179 1.00 0.00 C ATOM 842 O LYS A 62 -3.018 3.362 -7.727 1.00 0.00 O ATOM 843 CB LYS A 62 -5.784 3.556 -8.789 1.00 0.00 C ATOM 844 CG LYS A 62 -6.757 3.200 -9.900 1.00 0.00 C ATOM 845 CD LYS A 62 -7.553 4.412 -10.354 1.00 0.00 C ATOM 846 CE LYS A 62 -8.306 4.133 -11.646 1.00 0.00 C ATOM 847 NZ LYS A 62 -9.616 3.472 -11.392 1.00 0.00 N ATOM 0 H LYS A 62 -3.554 2.916 -10.381 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.892 5.389 -9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.432 2.638 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.312 4.124 -8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.209 2.786 -10.746 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.440 2.425 -9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.259 4.697 -9.574 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.880 5.257 -10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.469 5.069 -12.181 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.698 3.499 -12.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.099 3.299 -12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.459 2.567 -10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.206 4.088 -10.797 1.00 0.00 H new ATOM 861 N PRO A 63 -3.140 5.612 -7.745 1.00 0.00 N ATOM 862 CA PRO A 63 -2.127 5.806 -6.703 1.00 0.00 C ATOM 863 C PRO A 63 -2.615 5.356 -5.330 1.00 0.00 C ATOM 864 O PRO A 63 -3.500 5.978 -4.740 1.00 0.00 O ATOM 865 CB PRO A 63 -1.889 7.318 -6.717 1.00 0.00 C ATOM 866 CG PRO A 63 -3.153 7.895 -7.255 1.00 0.00 C ATOM 867 CD PRO A 63 -3.682 6.889 -8.238 1.00 0.00 C ATOM 0 HA PRO A 63 -1.229 5.218 -6.892 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.676 7.695 -5.717 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.036 7.579 -7.344 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.872 8.074 -6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.969 8.854 -7.739 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.772 6.882 -8.258 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.346 7.103 -9.252 1.00 0.00 H new ATOM 875 N LEU A 64 -2.033 4.274 -4.826 1.00 0.00 N ATOM 876 CA LEU A 64 -2.408 3.741 -3.521 1.00 0.00 C ATOM 877 C LEU A 64 -1.543 4.342 -2.418 1.00 0.00 C ATOM 878 O LEU A 64 -0.317 4.239 -2.452 1.00 0.00 O ATOM 879 CB LEU A 64 -2.278 2.216 -3.514 1.00 0.00 C ATOM 880 CG LEU A 64 -1.995 1.573 -2.155 1.00 0.00 C ATOM 881 CD1 LEU A 64 -3.218 1.665 -1.256 1.00 0.00 C ATOM 882 CD2 LEU A 64 -1.566 0.124 -2.331 1.00 0.00 C ATOM 0 H LEU A 64 -1.299 3.748 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.447 4.012 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.200 1.791 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.478 1.936 -4.200 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.179 2.117 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.998 1.202 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.480 2.712 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.054 1.146 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.369 -0.318 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.361 -0.433 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.661 0.084 -2.937 1.00 0.00 H new ATOM 894 N ARG A 65 -2.190 4.967 -1.439 1.00 0.00 N ATOM 895 CA ARG A 65 -1.480 5.583 -0.325 1.00 0.00 C ATOM 896 C ARG A 65 -1.422 4.639 0.872 1.00 0.00 C ATOM 897 O ARG A 65 -2.448 4.132 1.326 1.00 0.00 O ATOM 898 CB ARG A 65 -2.159 6.893 0.078 1.00 0.00 C ATOM 899 CG ARG A 65 -1.277 7.804 0.915 1.00 0.00 C ATOM 900 CD ARG A 65 -1.906 9.177 1.096 1.00 0.00 C ATOM 901 NE ARG A 65 -1.523 9.792 2.364 1.00 0.00 N ATOM 902 CZ ARG A 65 -2.246 10.722 2.978 1.00 0.00 C ATOM 903 NH1 ARG A 65 -3.385 11.141 2.443 1.00 0.00 N ATOM 904 NH2 ARG A 65 -1.831 11.234 4.129 1.00 0.00 N ATOM 0 H ARG A 65 -3.205 5.060 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.461 5.794 -0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.466 7.425 -0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.066 6.665 0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.106 7.350 1.891 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.303 7.909 0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.604 9.825 0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.991 9.087 1.050 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.653 9.491 2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.707 10.749 1.558 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.938 11.855 2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.956 10.914 4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.387 11.948 4.600 1.00 0.00 H new ATOM 918 N ILE A 66 -0.215 4.406 1.377 1.00 0.00 N ATOM 919 CA ILE A 66 -0.023 3.523 2.521 1.00 0.00 C ATOM 920 C ILE A 66 0.619 4.267 3.687 1.00 0.00 C ATOM 921 O ILE A 66 1.817 4.554 3.671 1.00 0.00 O ATOM 922 CB ILE A 66 0.852 2.310 2.155 1.00 0.00 C ATOM 923 CG1 ILE A 66 0.203 1.507 1.026 1.00 0.00 C ATOM 924 CG2 ILE A 66 1.076 1.431 3.376 1.00 0.00 C ATOM 925 CD1 ILE A 66 0.922 0.213 0.714 1.00 0.00 C ATOM 0 H ILE A 66 0.644 4.816 1.012 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.011 3.171 2.818 1.00 0.00 H new ATOM 0 HB ILE A 66 1.820 2.671 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.829 1.284 1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.171 2.121 0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.696 0.578 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.577 2.008 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.116 1.076 3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.407 -0.303 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.947 0.430 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.931 -0.421 1.601 1.00 0.00 H new ATOM 937 N THR A 67 -0.185 4.574 4.700 1.00 0.00 N ATOM 938 CA THR A 67 0.305 5.283 5.876 1.00 0.00 C ATOM 939 C THR A 67 0.584 4.318 7.023 1.00 0.00 C ATOM 940 O THR A 67 0.037 3.218 7.068 1.00 0.00 O ATOM 941 CB THR A 67 -0.703 6.348 6.349 1.00 0.00 C ATOM 942 OG1 THR A 67 -2.036 5.942 6.020 1.00 0.00 O ATOM 943 CG2 THR A 67 -0.405 7.696 5.710 1.00 0.00 C ATOM 0 H THR A 67 -1.178 4.343 4.730 1.00 0.00 H new ATOM 0 HA THR A 67 1.233 5.775 5.585 1.00 0.00 H new ATOM 0 HB THR A 67 -0.612 6.448 7.431 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.670 6.624 6.326 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.129 8.432 6.059 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.599 8.016 5.987 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.471 7.607 4.626 1.00 0.00 H new ATOM 951 N GLY A 68 1.439 4.740 7.950 1.00 0.00 N ATOM 952 CA GLY A 68 1.775 3.901 9.085 1.00 0.00 C ATOM 953 C GLY A 68 3.240 3.996 9.463 1.00 0.00 C ATOM 954 O GLY A 68 3.942 4.910 9.028 1.00 0.00 O ATOM 0 H GLY A 68 1.905 5.647 7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.163 4.189 9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.530 2.865 8.852 1.00 0.00 H new ATOM 958 N ASP A 69 3.702 3.053 10.276 1.00 0.00 N ATOM 959 CA ASP A 69 5.093 3.034 10.713 1.00 0.00 C ATOM 960 C ASP A 69 6.039 3.127 9.520 1.00 0.00 C ATOM 961 O ASP A 69 5.802 2.543 8.462 1.00 0.00 O ATOM 962 CB ASP A 69 5.382 1.762 11.512 1.00 0.00 C ATOM 963 CG ASP A 69 6.446 1.973 12.571 1.00 0.00 C ATOM 964 OD1 ASP A 69 6.238 2.826 13.460 1.00 0.00 O ATOM 965 OD2 ASP A 69 7.486 1.285 12.512 1.00 0.00 O ATOM 0 H ASP A 69 3.133 2.291 10.646 1.00 0.00 H new ATOM 0 HA ASP A 69 5.259 3.901 11.353 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.463 1.418 11.987 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.703 0.974 10.831 1.00 0.00 H new ATOM 970 N PRO A 70 7.137 3.878 9.692 1.00 0.00 N ATOM 971 CA PRO A 70 8.141 4.064 8.639 1.00 0.00 C ATOM 972 C PRO A 70 8.935 2.792 8.363 1.00 0.00 C ATOM 973 O PRO A 70 9.580 2.665 7.322 1.00 0.00 O ATOM 974 CB PRO A 70 9.054 5.152 9.210 1.00 0.00 C ATOM 975 CG PRO A 70 8.903 5.037 10.688 1.00 0.00 C ATOM 976 CD PRO A 70 7.484 4.601 10.926 1.00 0.00 C ATOM 0 HA PRO A 70 7.687 4.327 7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.089 5.000 8.905 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.760 6.141 8.858 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.608 4.313 11.097 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.106 5.990 11.176 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.403 3.960 11.804 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.824 5.453 11.091 1.00 0.00 H new ATOM 984 N TYR A 71 8.883 1.853 9.301 1.00 0.00 N ATOM 985 CA TYR A 71 9.599 0.591 9.158 1.00 0.00 C ATOM 986 C TYR A 71 8.701 -0.479 8.545 1.00 0.00 C ATOM 987 O TYR A 71 9.179 -1.419 7.910 1.00 0.00 O ATOM 988 CB TYR A 71 10.118 0.119 10.518 1.00 0.00 C ATOM 989 CG TYR A 71 10.912 -1.166 10.450 1.00 0.00 C ATOM 990 CD1 TYR A 71 10.273 -2.395 10.337 1.00 0.00 C ATOM 991 CD2 TYR A 71 12.300 -1.152 10.497 1.00 0.00 C ATOM 992 CE1 TYR A 71 10.994 -3.572 10.276 1.00 0.00 C ATOM 993 CE2 TYR A 71 13.030 -2.324 10.435 1.00 0.00 C ATOM 994 CZ TYR A 71 12.372 -3.531 10.325 1.00 0.00 C ATOM 995 OH TYR A 71 13.094 -4.701 10.262 1.00 0.00 O ATOM 0 H TYR A 71 8.353 1.942 10.168 1.00 0.00 H new ATOM 0 HA TYR A 71 10.445 0.756 8.490 1.00 0.00 H new ATOM 0 HB2 TYR A 71 10.743 0.900 10.950 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.272 -0.021 11.191 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.194 -2.431 10.296 1.00 0.00 H new ATOM 0 HD2 TYR A 71 12.818 -0.208 10.584 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.482 -4.519 10.190 1.00 0.00 H new ATOM 0 HE2 TYR A 71 14.109 -2.295 10.472 1.00 0.00 H new ATOM 0 HH TYR A 71 14.052 -4.497 10.308 1.00 0.00 H new ATOM 1005 N LYS A 72 7.395 -0.329 8.740 1.00 0.00 N ATOM 1006 CA LYS A 72 6.427 -1.280 8.206 1.00 0.00 C ATOM 1007 C LYS A 72 5.898 -0.815 6.852 1.00 0.00 C ATOM 1008 O LYS A 72 5.891 -1.575 5.884 1.00 0.00 O ATOM 1009 CB LYS A 72 5.265 -1.460 9.185 1.00 0.00 C ATOM 1010 CG LYS A 72 5.703 -1.865 10.582 1.00 0.00 C ATOM 1011 CD LYS A 72 4.586 -2.567 11.335 1.00 0.00 C ATOM 1012 CE LYS A 72 4.598 -4.066 11.078 1.00 0.00 C ATOM 1013 NZ LYS A 72 5.668 -4.754 11.852 1.00 0.00 N ATOM 0 H LYS A 72 6.982 0.443 9.264 1.00 0.00 H new ATOM 0 HA LYS A 72 6.931 -2.237 8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.704 -0.527 9.245 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.585 -2.216 8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.569 -2.524 10.516 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.017 -0.981 11.136 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.692 -2.379 12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.625 -2.152 11.032 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.629 -4.488 11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.744 -4.251 10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.568 -5.783 11.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.599 -4.457 11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.585 -4.503 12.858 1.00 0.00 H new ATOM 1027 N VAL A 73 5.458 0.438 6.792 1.00 0.00 N ATOM 1028 CA VAL A 73 4.930 1.004 5.557 1.00 0.00 C ATOM 1029 C VAL A 73 5.746 0.551 4.352 1.00 0.00 C ATOM 1030 O VAL A 73 5.193 0.238 3.298 1.00 0.00 O ATOM 1031 CB VAL A 73 4.918 2.543 5.606 1.00 0.00 C ATOM 1032 CG1 VAL A 73 4.759 3.121 4.207 1.00 0.00 C ATOM 1033 CG2 VAL A 73 3.811 3.038 6.525 1.00 0.00 C ATOM 0 H VAL A 73 5.457 1.080 7.585 1.00 0.00 H new ATOM 0 HA VAL A 73 3.907 0.643 5.455 1.00 0.00 H new ATOM 0 HB VAL A 73 5.872 2.884 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.753 4.210 4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.590 2.794 3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.821 2.774 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.817 4.128 6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.847 2.688 6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.974 2.653 7.532 1.00 0.00 H new ATOM 1043 N GLN A 74 7.065 0.518 4.516 1.00 0.00 N ATOM 1044 CA GLN A 74 7.958 0.103 3.440 1.00 0.00 C ATOM 1045 C GLN A 74 7.779 -1.378 3.125 1.00 0.00 C ATOM 1046 O GLN A 74 7.825 -1.785 1.965 1.00 0.00 O ATOM 1047 CB GLN A 74 9.413 0.384 3.820 1.00 0.00 C ATOM 1048 CG GLN A 74 9.704 1.856 4.068 1.00 0.00 C ATOM 1049 CD GLN A 74 10.096 2.594 2.804 1.00 0.00 C ATOM 1050 OE1 GLN A 74 10.027 2.046 1.704 1.00 0.00 O ATOM 1051 NE2 GLN A 74 10.513 3.846 2.954 1.00 0.00 N ATOM 0 H GLN A 74 7.538 0.773 5.383 1.00 0.00 H new ATOM 0 HA GLN A 74 7.705 0.678 2.549 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.661 -0.183 4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.064 0.023 3.024 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.823 2.329 4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 74 10.507 1.945 4.800 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.555 4.262 3.885 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.791 4.392 2.139 1.00 0.00 H new ATOM 1060 N GLN A 75 7.576 -2.179 4.167 1.00 0.00 N ATOM 1061 CA GLN A 75 7.392 -3.616 4.000 1.00 0.00 C ATOM 1062 C GLN A 75 6.072 -3.918 3.298 1.00 0.00 C ATOM 1063 O GLN A 75 6.031 -4.676 2.330 1.00 0.00 O ATOM 1064 CB GLN A 75 7.433 -4.318 5.358 1.00 0.00 C ATOM 1065 CG GLN A 75 8.812 -4.326 5.997 1.00 0.00 C ATOM 1066 CD GLN A 75 9.851 -5.015 5.133 1.00 0.00 C ATOM 1067 OE1 GLN A 75 10.340 -4.445 4.157 1.00 0.00 O ATOM 1068 NE2 GLN A 75 10.194 -6.247 5.489 1.00 0.00 N ATOM 0 H GLN A 75 7.535 -1.858 5.134 1.00 0.00 H new ATOM 0 HA GLN A 75 8.206 -3.991 3.380 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.732 -3.827 6.033 1.00 0.00 H new ATOM 0 HB3 GLN A 75 7.092 -5.346 5.237 1.00 0.00 H new ATOM 0 HG2 GLN A 75 9.126 -3.300 6.188 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.758 -4.828 6.963 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.763 -6.681 6.305 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.889 -6.760 4.946 1.00 0.00 H new ATOM 1077 N ALA A 76 4.994 -3.319 3.794 1.00 0.00 N ATOM 1078 CA ALA A 76 3.672 -3.523 3.214 1.00 0.00 C ATOM 1079 C ALA A 76 3.662 -3.162 1.732 1.00 0.00 C ATOM 1080 O ALA A 76 3.206 -3.942 0.896 1.00 0.00 O ATOM 1081 CB ALA A 76 2.634 -2.703 3.966 1.00 0.00 C ATOM 0 H ALA A 76 5.010 -2.689 4.596 1.00 0.00 H new ATOM 0 HA ALA A 76 3.420 -4.580 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.652 -2.865 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.615 -3.010 5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.891 -1.646 3.903 1.00 0.00 H new ATOM 1087 N LYS A 77 4.166 -1.975 1.413 1.00 0.00 N ATOM 1088 CA LYS A 77 4.216 -1.510 0.032 1.00 0.00 C ATOM 1089 C LYS A 77 4.596 -2.647 -0.911 1.00 0.00 C ATOM 1090 O LYS A 77 4.172 -2.675 -2.066 1.00 0.00 O ATOM 1091 CB LYS A 77 5.219 -0.363 -0.106 1.00 0.00 C ATOM 1092 CG LYS A 77 5.655 -0.105 -1.537 1.00 0.00 C ATOM 1093 CD LYS A 77 6.795 0.898 -1.601 1.00 0.00 C ATOM 1094 CE LYS A 77 8.147 0.214 -1.474 1.00 0.00 C ATOM 1095 NZ LYS A 77 8.502 -0.547 -2.704 1.00 0.00 N ATOM 0 H LYS A 77 4.546 -1.317 2.093 1.00 0.00 H new ATOM 0 HA LYS A 77 3.223 -1.151 -0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.776 0.547 0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.098 -0.586 0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.968 -1.042 -1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.809 0.267 -2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.749 1.443 -2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.681 1.632 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.915 0.962 -1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.133 -0.463 -0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.521 -0.753 -2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.968 -1.439 -2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.265 0.020 -3.543 1.00 0.00 H new ATOM 1109 N GLU A 78 5.396 -3.584 -0.410 1.00 0.00 N ATOM 1110 CA GLU A 78 5.831 -4.723 -1.210 1.00 0.00 C ATOM 1111 C GLU A 78 4.710 -5.749 -1.351 1.00 0.00 C ATOM 1112 O GLU A 78 4.444 -6.246 -2.444 1.00 0.00 O ATOM 1113 CB GLU A 78 7.061 -5.378 -0.577 1.00 0.00 C ATOM 1114 CG GLU A 78 8.238 -4.432 -0.413 1.00 0.00 C ATOM 1115 CD GLU A 78 9.555 -5.164 -0.244 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.765 -6.178 -0.941 1.00 0.00 O ATOM 1117 OE2 GLU A 78 10.376 -4.722 0.587 1.00 0.00 O ATOM 0 H GLU A 78 5.755 -3.577 0.545 1.00 0.00 H new ATOM 0 HA GLU A 78 6.093 -4.359 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.787 -5.777 0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.369 -6.224 -1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.299 -3.779 -1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.068 -3.793 0.454 1.00 0.00 H new ATOM 1124 N MET A 79 4.057 -6.060 -0.236 1.00 0.00 N ATOM 1125 CA MET A 79 2.965 -7.026 -0.235 1.00 0.00 C ATOM 1126 C MET A 79 1.938 -6.687 -1.311 1.00 0.00 C ATOM 1127 O MET A 79 1.478 -7.564 -2.042 1.00 0.00 O ATOM 1128 CB MET A 79 2.289 -7.062 1.137 1.00 0.00 C ATOM 1129 CG MET A 79 3.058 -7.866 2.172 1.00 0.00 C ATOM 1130 SD MET A 79 2.786 -7.274 3.854 1.00 0.00 S ATOM 1131 CE MET A 79 1.022 -6.967 3.823 1.00 0.00 C ATOM 0 H MET A 79 4.265 -5.657 0.678 1.00 0.00 H new ATOM 0 HA MET A 79 3.383 -8.009 -0.453 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.166 -6.041 1.499 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.290 -7.484 1.030 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.761 -8.913 2.107 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.123 -7.822 1.943 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.630 -6.996 4.840 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.831 -5.986 3.388 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.530 -7.732 3.222 1.00 0.00 H new ATOM 1141 N VAL A 80 1.584 -5.409 -1.404 1.00 0.00 N ATOM 1142 CA VAL A 80 0.613 -4.954 -2.392 1.00 0.00 C ATOM 1143 C VAL A 80 1.204 -4.983 -3.797 1.00 0.00 C ATOM 1144 O VAL A 80 0.653 -5.612 -4.701 1.00 0.00 O ATOM 1145 CB VAL A 80 0.123 -3.527 -2.081 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -1.071 -3.171 -2.954 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -0.225 -3.392 -0.607 1.00 0.00 C ATOM 0 H VAL A 80 1.955 -4.670 -0.807 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.233 -5.639 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 80 0.929 -2.828 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.404 -2.160 -2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.783 -3.225 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.883 -3.873 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.569 -2.378 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.014 -4.100 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.658 -3.602 -0.004 1.00 0.00 H new ATOM 1157 N LEU A 81 2.329 -4.298 -3.974 1.00 0.00 N ATOM 1158 CA LEU A 81 2.996 -4.245 -5.270 1.00 0.00 C ATOM 1159 C LEU A 81 3.138 -5.641 -5.867 1.00 0.00 C ATOM 1160 O LEU A 81 2.945 -5.836 -7.066 1.00 0.00 O ATOM 1161 CB LEU A 81 4.374 -3.595 -5.129 1.00 0.00 C ATOM 1162 CG LEU A 81 4.385 -2.077 -4.945 1.00 0.00 C ATOM 1163 CD1 LEU A 81 5.761 -1.603 -4.506 1.00 0.00 C ATOM 1164 CD2 LEU A 81 3.964 -1.381 -6.232 1.00 0.00 C ATOM 0 H LEU A 81 2.798 -3.772 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 81 2.384 -3.644 -5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.882 -4.048 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.960 -3.838 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 81 3.669 -1.819 -4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.750 -0.520 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.024 -2.076 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.497 -1.873 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.977 -0.301 -6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.656 -1.646 -7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.957 -1.697 -6.504 1.00 0.00 H new ATOM 1176 N GLU A 82 3.475 -6.610 -5.021 1.00 0.00 N ATOM 1177 CA GLU A 82 3.641 -7.988 -5.466 1.00 0.00 C ATOM 1178 C GLU A 82 2.296 -8.607 -5.833 1.00 0.00 C ATOM 1179 O GLU A 82 2.217 -9.484 -6.695 1.00 0.00 O ATOM 1180 CB GLU A 82 4.317 -8.822 -4.375 1.00 0.00 C ATOM 1181 CG GLU A 82 4.479 -10.287 -4.742 1.00 0.00 C ATOM 1182 CD GLU A 82 4.846 -11.150 -3.549 1.00 0.00 C ATOM 1183 OE1 GLU A 82 3.922 -11.631 -2.860 1.00 0.00 O ATOM 1184 OE2 GLU A 82 6.055 -11.343 -3.305 1.00 0.00 O ATOM 0 H GLU A 82 3.638 -6.466 -4.025 1.00 0.00 H new ATOM 0 HA GLU A 82 4.273 -7.982 -6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.299 -8.399 -4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.732 -8.748 -3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.550 -10.653 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.250 -10.383 -5.506 1.00 0.00 H new ATOM 1191 N LEU A 83 1.239 -8.146 -5.173 1.00 0.00 N ATOM 1192 CA LEU A 83 -0.104 -8.654 -5.429 1.00 0.00 C ATOM 1193 C LEU A 83 -0.528 -8.372 -6.867 1.00 0.00 C ATOM 1194 O LEU A 83 -1.135 -9.219 -7.522 1.00 0.00 O ATOM 1195 CB LEU A 83 -1.103 -8.022 -4.458 1.00 0.00 C ATOM 1196 CG LEU A 83 -2.455 -8.726 -4.332 1.00 0.00 C ATOM 1197 CD1 LEU A 83 -3.237 -8.615 -5.632 1.00 0.00 C ATOM 1198 CD2 LEU A 83 -2.262 -10.185 -3.946 1.00 0.00 C ATOM 0 H LEU A 83 1.286 -7.421 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.092 -9.733 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.643 -7.982 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.280 -6.992 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.027 -8.235 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.196 -9.121 -5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.406 -7.564 -5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.670 -9.080 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.234 -10.670 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.671 -10.689 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.743 -10.243 -2.989 1.00 0.00 H new ATOM 1210 N ILE A 84 -0.203 -7.178 -7.351 1.00 0.00 N ATOM 1211 CA ILE A 84 -0.547 -6.787 -8.712 1.00 0.00 C ATOM 1212 C ILE A 84 0.412 -7.408 -9.722 1.00 0.00 C ATOM 1213 O ILE A 84 0.063 -7.602 -10.887 1.00 0.00 O ATOM 1214 CB ILE A 84 -0.530 -5.256 -8.879 1.00 0.00 C ATOM 1215 CG1 ILE A 84 0.878 -4.710 -8.634 1.00 0.00 C ATOM 1216 CG2 ILE A 84 -1.528 -4.608 -7.931 1.00 0.00 C ATOM 1217 CD1 ILE A 84 1.162 -3.419 -9.369 1.00 0.00 C ATOM 0 H ILE A 84 0.298 -6.465 -6.821 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.556 -7.154 -8.900 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.820 -5.014 -9.901 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.015 -4.548 -7.565 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.608 -5.460 -8.939 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.504 -3.526 -8.061 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.530 -4.978 -8.149 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.266 -4.855 -6.902 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.178 -3.091 -9.149 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.058 -3.581 -10.442 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.456 -2.654 -9.047 1.00 0.00 H new