USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 411 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.113 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -60:sc= 1.15 USER MOD Single : A 18 SER OG : rot 180:sc= 0.00831 USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0236) USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= -0.171 (180deg=-1.12) USER MOD Single : A 29 ASN : amide:sc= -0.331 K(o=-0.33,f=-3.1!) USER MOD Single : A 37 TYR OH : rot 36:sc= -0.673 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -137:sc= 0 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -3.969 -3.969 -31.082 1.00 0.00 N ATOM 125 CA MET A 1 -4.880 -5.080 -30.692 1.00 0.00 C ATOM 126 C MET A 1 -5.563 -4.732 -29.396 1.00 0.00 C ATOM 127 O MET A 1 -5.448 -3.618 -28.907 1.00 0.00 O ATOM 128 CB MET A 1 -4.093 -6.377 -30.539 1.00 0.00 C ATOM 129 CG MET A 1 -4.074 -7.103 -31.877 1.00 0.00 C ATOM 130 SD MET A 1 -2.538 -8.048 -32.039 1.00 0.00 S ATOM 131 CE MET A 1 -1.496 -6.690 -32.627 1.00 0.00 C ATOM 0 H1 MET A 1 -4.237 -3.614 -32.022 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.043 -3.199 -30.387 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.989 -4.317 -31.110 1.00 0.00 H new ATOM 0 HA MET A 1 -5.630 -5.221 -31.470 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.075 -6.164 -30.211 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.549 -7.007 -29.775 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.932 -7.771 -31.951 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.158 -6.385 -32.692 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.483 -7.055 -32.796 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.901 -6.299 -33.560 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.476 -5.897 -31.880 1.00 0.00 H new ATOM 141 N GLU A 2 -6.289 -5.662 -28.826 1.00 0.00 N ATOM 142 CA GLU A 2 -6.983 -5.371 -27.581 1.00 0.00 C ATOM 143 C GLU A 2 -6.559 -6.384 -26.550 1.00 0.00 C ATOM 144 O GLU A 2 -5.789 -7.284 -26.825 1.00 0.00 O ATOM 145 CB GLU A 2 -8.492 -5.482 -27.829 1.00 0.00 C ATOM 146 CG GLU A 2 -9.203 -4.230 -27.310 1.00 0.00 C ATOM 147 CD GLU A 2 -10.565 -4.098 -27.996 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.640 -4.385 -29.179 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.509 -3.711 -27.326 1.00 0.00 O ATOM 0 H GLU A 2 -6.418 -6.607 -29.188 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.744 -4.368 -27.227 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.685 -5.604 -28.895 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.886 -6.367 -27.330 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.332 -4.293 -26.230 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.597 -3.346 -27.507 1.00 0.00 H new ATOM 156 N ALA A 3 -7.063 -6.243 -25.380 1.00 0.00 N ATOM 157 CA ALA A 3 -6.733 -7.188 -24.296 1.00 0.00 C ATOM 158 C ALA A 3 -7.813 -7.134 -23.230 1.00 0.00 C ATOM 159 O ALA A 3 -8.043 -6.125 -22.601 1.00 0.00 O ATOM 160 CB ALA A 3 -5.399 -6.842 -23.710 1.00 0.00 C ATOM 0 H ALA A 3 -7.706 -5.497 -25.116 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.684 -8.201 -24.696 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.160 -7.543 -22.910 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.635 -6.902 -24.485 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.430 -5.829 -23.308 1.00 0.00 H new ATOM 166 N ILE A 4 -8.488 -8.220 -23.056 1.00 0.00 N ATOM 167 CA ILE A 4 -9.595 -8.295 -22.074 1.00 0.00 C ATOM 168 C ILE A 4 -9.120 -8.067 -20.661 1.00 0.00 C ATOM 169 O ILE A 4 -8.301 -8.799 -20.133 1.00 0.00 O ATOM 170 CB ILE A 4 -10.248 -9.662 -22.173 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.371 -9.789 -21.126 1.00 0.00 C ATOM 172 CG2 ILE A 4 -9.220 -10.756 -21.950 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.571 -10.412 -21.773 1.00 0.00 C ATOM 0 H ILE A 4 -8.317 -9.086 -23.566 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.309 -7.506 -22.310 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.672 -9.771 -23.171 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -11.036 -10.399 -20.287 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.626 -8.808 -20.726 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.703 -11.730 -22.024 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.438 -10.680 -22.706 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.779 -10.644 -20.960 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.372 -10.506 -21.040 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.907 -9.784 -22.598 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.308 -11.400 -22.152 1.00 0.00 H new ATOM 185 N ALA A 5 -9.702 -7.101 -20.025 1.00 0.00 N ATOM 186 CA ALA A 5 -9.368 -6.857 -18.590 1.00 0.00 C ATOM 187 C ALA A 5 -9.953 -8.030 -17.804 1.00 0.00 C ATOM 188 O ALA A 5 -11.127 -8.058 -17.491 1.00 0.00 O ATOM 189 CB ALA A 5 -9.995 -5.560 -18.092 1.00 0.00 C ATOM 0 H ALA A 5 -10.393 -6.468 -20.427 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.289 -6.772 -18.463 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.735 -5.409 -17.044 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.620 -4.724 -18.683 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -11.079 -5.618 -18.192 1.00 0.00 H new ATOM 195 N LYS A 6 -9.151 -9.017 -17.532 1.00 0.00 N ATOM 196 CA LYS A 6 -9.643 -10.235 -16.814 1.00 0.00 C ATOM 197 C LYS A 6 -10.382 -9.871 -15.523 1.00 0.00 C ATOM 198 O LYS A 6 -11.274 -10.581 -15.098 1.00 0.00 O ATOM 199 CB LYS A 6 -8.453 -11.121 -16.452 1.00 0.00 C ATOM 200 CG LYS A 6 -7.735 -11.554 -17.722 1.00 0.00 C ATOM 201 CD LYS A 6 -6.443 -12.280 -17.354 1.00 0.00 C ATOM 202 CE LYS A 6 -6.776 -13.620 -16.694 1.00 0.00 C ATOM 203 NZ LYS A 6 -5.777 -14.641 -17.117 1.00 0.00 N ATOM 0 H LYS A 6 -8.161 -9.037 -17.778 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.334 -10.755 -17.477 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.767 -10.578 -15.801 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.793 -11.996 -15.898 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.378 -12.209 -18.311 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.513 -10.685 -18.341 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.839 -12.443 -18.247 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.850 -11.667 -16.676 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.769 -13.515 -15.609 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.780 -13.938 -16.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.001 -15.553 -16.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.805 -14.747 -18.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.826 -14.337 -16.826 1.00 0.00 H new ATOM 217 N TYR A 7 -10.002 -8.792 -14.878 1.00 0.00 N ATOM 218 CA TYR A 7 -10.669 -8.417 -13.582 1.00 0.00 C ATOM 219 C TYR A 7 -10.610 -6.921 -13.383 1.00 0.00 C ATOM 220 O TYR A 7 -10.211 -6.172 -14.254 1.00 0.00 O ATOM 221 CB TYR A 7 -9.956 -9.108 -12.400 1.00 0.00 C ATOM 222 CG TYR A 7 -9.629 -10.544 -12.747 1.00 0.00 C ATOM 223 CD1 TYR A 7 -10.601 -11.544 -12.628 1.00 0.00 C ATOM 224 CD2 TYR A 7 -8.353 -10.861 -13.208 1.00 0.00 C ATOM 225 CE1 TYR A 7 -10.289 -12.868 -12.975 1.00 0.00 C ATOM 226 CE2 TYR A 7 -8.035 -12.175 -13.552 1.00 0.00 C ATOM 227 CZ TYR A 7 -9.003 -13.184 -13.437 1.00 0.00 C ATOM 228 OH TYR A 7 -8.690 -14.484 -13.779 1.00 0.00 O ATOM 0 H TYR A 7 -9.265 -8.158 -15.187 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.709 -8.741 -13.622 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -9.041 -8.569 -12.154 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.592 -9.077 -11.515 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.590 -11.297 -12.270 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.607 -10.086 -13.299 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -11.038 -13.641 -12.886 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -7.044 -12.416 -13.907 1.00 0.00 H new ATOM 0 HH TYR A 7 -9.495 -14.940 -14.103 1.00 0.00 H new ATOM 238 N ASP A 8 -11.034 -6.488 -12.236 1.00 0.00 N ATOM 239 CA ASP A 8 -11.049 -5.045 -11.931 1.00 0.00 C ATOM 240 C ASP A 8 -9.664 -4.579 -11.450 1.00 0.00 C ATOM 241 O ASP A 8 -8.827 -5.369 -11.070 1.00 0.00 O ATOM 242 CB ASP A 8 -12.121 -4.799 -10.870 1.00 0.00 C ATOM 243 CG ASP A 8 -11.699 -5.400 -9.518 1.00 0.00 C ATOM 244 OD1 ASP A 8 -10.987 -4.729 -8.788 1.00 0.00 O ATOM 245 OD2 ASP A 8 -12.099 -6.518 -9.238 1.00 0.00 O ATOM 0 H ASP A 8 -11.377 -7.087 -11.485 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.283 -4.469 -12.826 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.291 -3.728 -10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.065 -5.240 -11.191 1.00 0.00 H new ATOM 250 N PHE A 9 -9.436 -3.293 -11.470 1.00 0.00 N ATOM 251 CA PHE A 9 -8.127 -2.727 -11.036 1.00 0.00 C ATOM 252 C PHE A 9 -8.130 -1.213 -11.273 1.00 0.00 C ATOM 253 O PHE A 9 -9.083 -0.655 -11.787 1.00 0.00 O ATOM 254 CB PHE A 9 -6.984 -3.359 -11.852 1.00 0.00 C ATOM 255 CG PHE A 9 -5.819 -3.639 -10.941 1.00 0.00 C ATOM 256 CD1 PHE A 9 -6.010 -4.415 -9.800 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.557 -3.118 -11.236 1.00 0.00 C ATOM 258 CE1 PHE A 9 -4.934 -4.676 -8.941 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.478 -3.376 -10.383 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.666 -4.155 -9.234 1.00 0.00 C ATOM 0 H PHE A 9 -10.117 -2.597 -11.775 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.977 -2.942 -9.978 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.324 -4.282 -12.321 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.680 -2.687 -12.654 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.988 -4.816 -9.577 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.414 -2.517 -12.122 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.081 -5.277 -8.056 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.501 -2.975 -10.610 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.834 -4.354 -8.574 1.00 0.00 H new ATOM 270 N LYS A 10 -7.062 -0.548 -10.909 1.00 0.00 N ATOM 271 CA LYS A 10 -6.984 0.932 -11.116 1.00 0.00 C ATOM 272 C LYS A 10 -5.575 1.329 -11.518 1.00 0.00 C ATOM 273 O LYS A 10 -4.644 0.547 -11.419 1.00 0.00 O ATOM 274 CB LYS A 10 -7.432 1.664 -9.820 1.00 0.00 C ATOM 275 CG LYS A 10 -6.309 1.676 -8.761 1.00 0.00 C ATOM 276 CD LYS A 10 -5.926 0.241 -8.394 1.00 0.00 C ATOM 277 CE LYS A 10 -5.314 0.218 -6.990 1.00 0.00 C ATOM 278 NZ LYS A 10 -4.529 -1.037 -6.805 1.00 0.00 N ATOM 0 H LYS A 10 -6.239 -0.967 -10.476 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.655 1.225 -11.923 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.719 2.688 -10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.315 1.173 -9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.439 2.207 -9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.641 2.212 -7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.806 -0.402 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.214 -0.153 -9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.669 1.086 -6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.101 0.280 -6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.115 -1.050 -5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.156 -1.859 -6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.769 -1.078 -7.513 1.00 0.00 H new ATOM 292 N ALA A 11 -5.417 2.541 -11.968 1.00 0.00 N ATOM 293 CA ALA A 11 -4.084 3.006 -12.375 1.00 0.00 C ATOM 294 C ALA A 11 -3.279 3.298 -11.103 1.00 0.00 C ATOM 295 O ALA A 11 -3.780 3.918 -10.182 1.00 0.00 O ATOM 296 CB ALA A 11 -4.205 4.270 -13.215 1.00 0.00 C ATOM 0 H ALA A 11 -6.165 3.227 -12.068 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.585 2.245 -12.975 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.211 4.606 -13.511 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.798 4.060 -14.105 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.693 5.050 -12.630 1.00 0.00 H new ATOM 302 N THR A 12 -2.049 2.853 -11.030 1.00 0.00 N ATOM 303 CA THR A 12 -1.235 3.105 -9.795 1.00 0.00 C ATOM 304 C THR A 12 -0.055 4.021 -10.125 1.00 0.00 C ATOM 305 O THR A 12 1.072 3.770 -9.735 1.00 0.00 O ATOM 306 CB THR A 12 -0.721 1.773 -9.237 1.00 0.00 C ATOM 307 OG1 THR A 12 0.163 2.024 -8.154 1.00 0.00 O ATOM 308 CG2 THR A 12 0.016 1.008 -10.331 1.00 0.00 C ATOM 0 H THR A 12 -1.574 2.330 -11.765 1.00 0.00 H new ATOM 0 HA THR A 12 -1.861 3.591 -9.046 1.00 0.00 H new ATOM 0 HB THR A 12 -1.564 1.177 -8.888 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.919 2.564 -8.467 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.380 0.062 -9.931 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.664 0.814 -11.160 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.859 1.601 -10.685 1.00 0.00 H new ATOM 316 N ALA A 13 -0.310 5.088 -10.837 1.00 0.00 N ATOM 317 CA ALA A 13 0.782 6.043 -11.201 1.00 0.00 C ATOM 318 C ALA A 13 0.224 7.136 -12.073 1.00 0.00 C ATOM 319 O ALA A 13 -0.933 7.122 -12.459 1.00 0.00 O ATOM 320 CB ALA A 13 1.897 5.317 -11.960 1.00 0.00 C ATOM 0 H ALA A 13 -1.235 5.341 -11.185 1.00 0.00 H new ATOM 0 HA ALA A 13 1.193 6.469 -10.285 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.684 6.026 -12.217 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.311 4.528 -11.332 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.491 4.879 -12.872 1.00 0.00 H new ATOM 326 N ASP A 14 1.041 8.086 -12.380 1.00 0.00 N ATOM 327 CA ASP A 14 0.613 9.213 -13.224 1.00 0.00 C ATOM 328 C ASP A 14 0.572 8.793 -14.703 1.00 0.00 C ATOM 329 O ASP A 14 0.184 9.568 -15.560 1.00 0.00 O ATOM 330 CB ASP A 14 1.609 10.325 -13.022 1.00 0.00 C ATOM 331 CG ASP A 14 0.966 11.669 -13.370 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.031 12.051 -12.686 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.421 12.292 -14.315 1.00 0.00 O ATOM 0 H ASP A 14 2.013 8.129 -12.073 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.390 9.539 -12.949 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.953 10.333 -11.988 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.485 10.158 -13.648 1.00 0.00 H new ATOM 338 N ASP A 15 0.956 7.569 -15.007 1.00 0.00 N ATOM 339 CA ASP A 15 0.928 7.101 -16.390 1.00 0.00 C ATOM 340 C ASP A 15 0.408 5.664 -16.423 1.00 0.00 C ATOM 341 O ASP A 15 0.757 4.891 -17.298 1.00 0.00 O ATOM 342 CB ASP A 15 2.338 7.157 -16.977 1.00 0.00 C ATOM 343 CG ASP A 15 2.574 8.528 -17.614 1.00 0.00 C ATOM 344 OD1 ASP A 15 1.629 9.079 -18.157 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.695 9.004 -17.549 1.00 0.00 O ATOM 0 H ASP A 15 1.288 6.883 -14.329 1.00 0.00 H new ATOM 0 HA ASP A 15 0.271 7.738 -16.982 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.076 6.976 -16.195 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.464 6.372 -17.722 1.00 0.00 H new ATOM 350 N GLU A 16 -0.428 5.296 -15.472 1.00 0.00 N ATOM 351 CA GLU A 16 -0.969 3.913 -15.450 1.00 0.00 C ATOM 352 C GLU A 16 -2.403 3.927 -15.968 1.00 0.00 C ATOM 353 O GLU A 16 -2.937 4.968 -16.306 1.00 0.00 O ATOM 354 CB GLU A 16 -0.928 3.377 -14.022 1.00 0.00 C ATOM 355 CG GLU A 16 -0.809 1.847 -14.051 1.00 0.00 C ATOM 356 CD GLU A 16 0.458 1.387 -13.308 1.00 0.00 C ATOM 357 OE1 GLU A 16 1.371 2.186 -13.165 1.00 0.00 O ATOM 358 OE2 GLU A 16 0.494 0.238 -12.905 1.00 0.00 O ATOM 0 H GLU A 16 -0.752 5.900 -14.717 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.366 3.267 -16.088 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.083 3.808 -13.485 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.830 3.672 -13.486 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.690 1.400 -13.590 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.778 1.499 -15.083 1.00 0.00 H new ATOM 365 N LEU A 17 -3.021 2.775 -16.067 1.00 0.00 N ATOM 366 CA LEU A 17 -4.418 2.724 -16.605 1.00 0.00 C ATOM 367 C LEU A 17 -5.388 2.057 -15.626 1.00 0.00 C ATOM 368 O LEU A 17 -5.140 0.981 -15.114 1.00 0.00 O ATOM 369 CB LEU A 17 -4.419 1.934 -17.926 1.00 0.00 C ATOM 370 CG LEU A 17 -5.166 2.707 -19.011 1.00 0.00 C ATOM 371 CD1 LEU A 17 -4.860 2.084 -20.380 1.00 0.00 C ATOM 372 CD2 LEU A 17 -6.671 2.633 -18.746 1.00 0.00 C ATOM 0 H LEU A 17 -2.623 1.874 -15.801 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.753 3.749 -16.762 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.394 1.747 -18.245 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.889 0.962 -17.775 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.846 3.749 -19.002 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.392 2.633 -21.157 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.788 2.133 -20.570 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.183 1.043 -20.386 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.204 3.185 -19.520 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.992 1.591 -18.757 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.891 3.070 -17.772 1.00 0.00 H new ATOM 384 N SER A 18 -6.512 2.693 -15.395 1.00 0.00 N ATOM 385 CA SER A 18 -7.526 2.153 -14.516 1.00 0.00 C ATOM 386 C SER A 18 -8.555 1.396 -15.362 1.00 0.00 C ATOM 387 O SER A 18 -8.710 1.670 -16.538 1.00 0.00 O ATOM 388 CB SER A 18 -8.196 3.324 -13.852 1.00 0.00 C ATOM 389 OG SER A 18 -8.786 4.152 -14.845 1.00 0.00 O ATOM 0 H SER A 18 -6.750 3.595 -15.808 1.00 0.00 H new ATOM 0 HA SER A 18 -7.098 1.476 -13.777 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.957 2.975 -13.154 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.469 3.893 -13.272 1.00 0.00 H new ATOM 0 HG SER A 18 -9.225 4.916 -14.416 1.00 0.00 H new ATOM 395 N PHE A 19 -9.265 0.459 -14.780 1.00 0.00 N ATOM 396 CA PHE A 19 -10.292 -0.299 -15.567 1.00 0.00 C ATOM 397 C PHE A 19 -11.022 -1.292 -14.659 1.00 0.00 C ATOM 398 O PHE A 19 -10.623 -1.526 -13.541 1.00 0.00 O ATOM 399 CB PHE A 19 -9.607 -1.057 -16.717 1.00 0.00 C ATOM 400 CG PHE A 19 -8.569 -2.010 -16.168 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.967 -3.238 -15.633 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.213 -1.665 -16.202 1.00 0.00 C ATOM 403 CE1 PHE A 19 -8.008 -4.125 -15.129 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.254 -2.551 -15.699 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.651 -3.782 -15.161 1.00 0.00 C ATOM 0 H PHE A 19 -9.180 0.187 -13.801 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.016 0.405 -15.977 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.350 -1.609 -17.292 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.137 -0.349 -17.400 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.014 -3.503 -15.608 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.907 -0.716 -16.616 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.315 -5.074 -14.715 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.207 -2.286 -15.726 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.911 -4.466 -14.771 1.00 0.00 H new ATOM 415 N LYS A 20 -12.094 -1.872 -15.142 1.00 0.00 N ATOM 416 CA LYS A 20 -12.864 -2.851 -14.323 1.00 0.00 C ATOM 417 C LYS A 20 -12.848 -4.212 -14.996 1.00 0.00 C ATOM 418 O LYS A 20 -12.238 -4.403 -16.029 1.00 0.00 O ATOM 419 CB LYS A 20 -14.305 -2.379 -14.210 1.00 0.00 C ATOM 420 CG LYS A 20 -14.327 -0.981 -13.618 1.00 0.00 C ATOM 421 CD LYS A 20 -14.031 -1.057 -12.120 1.00 0.00 C ATOM 422 CE LYS A 20 -13.278 0.200 -11.683 1.00 0.00 C ATOM 423 NZ LYS A 20 -14.190 1.376 -11.753 1.00 0.00 N ATOM 0 H LYS A 20 -12.469 -1.706 -16.076 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.411 -2.927 -13.334 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.778 -2.379 -15.192 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.876 -3.062 -13.581 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.587 -0.353 -14.114 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.300 -0.519 -13.784 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.961 -1.150 -11.559 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.437 -1.944 -11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.903 0.077 -10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.412 0.360 -12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.693 2.222 -11.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.487 1.527 -12.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.028 1.201 -11.162 1.00 0.00 H new ATOM 437 N ARG A 21 -13.523 -5.156 -14.410 1.00 0.00 N ATOM 438 CA ARG A 21 -13.582 -6.521 -14.986 1.00 0.00 C ATOM 439 C ARG A 21 -14.442 -6.503 -16.249 1.00 0.00 C ATOM 440 O ARG A 21 -15.655 -6.402 -16.184 1.00 0.00 O ATOM 441 CB ARG A 21 -14.207 -7.437 -13.957 1.00 0.00 C ATOM 442 CG ARG A 21 -14.050 -8.890 -14.383 1.00 0.00 C ATOM 443 CD ARG A 21 -14.042 -9.767 -13.132 1.00 0.00 C ATOM 444 NE ARG A 21 -14.957 -10.925 -13.331 1.00 0.00 N ATOM 445 CZ ARG A 21 -15.648 -11.391 -12.328 1.00 0.00 C ATOM 446 NH1 ARG A 21 -16.628 -10.690 -11.826 1.00 0.00 N ATOM 447 NH2 ARG A 21 -15.359 -12.561 -11.825 1.00 0.00 N ATOM 0 H ARG A 21 -14.045 -5.036 -13.542 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.582 -6.870 -15.245 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.735 -7.282 -12.987 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.264 -7.197 -13.840 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.867 -9.181 -15.044 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.124 -9.022 -14.943 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.031 -10.120 -12.929 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.357 -9.186 -12.265 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.043 -11.354 -14.252 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.854 -9.776 -12.218 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.167 -11.056 -11.042 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.593 -13.109 -12.217 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.899 -12.926 -11.040 1.00 0.00 H new ATOM 461 N GLY A 22 -13.823 -6.592 -17.395 1.00 0.00 N ATOM 462 CA GLY A 22 -14.594 -6.570 -18.673 1.00 0.00 C ATOM 463 C GLY A 22 -14.189 -5.344 -19.510 1.00 0.00 C ATOM 464 O GLY A 22 -14.608 -5.199 -20.645 1.00 0.00 O ATOM 0 H GLY A 22 -12.812 -6.679 -17.502 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.406 -7.484 -19.237 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.663 -6.540 -18.462 1.00 0.00 H new ATOM 468 N ASP A 23 -13.377 -4.459 -18.961 1.00 0.00 N ATOM 469 CA ASP A 23 -12.952 -3.284 -19.689 1.00 0.00 C ATOM 470 C ASP A 23 -11.789 -3.667 -20.582 1.00 0.00 C ATOM 471 O ASP A 23 -10.641 -3.552 -20.192 1.00 0.00 O ATOM 472 CB ASP A 23 -12.498 -2.230 -18.688 1.00 0.00 C ATOM 473 CG ASP A 23 -13.569 -1.143 -18.540 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.735 -1.456 -18.714 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.202 -0.014 -18.253 1.00 0.00 O ATOM 0 H ASP A 23 -13.001 -4.534 -18.016 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.768 -2.889 -20.294 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.306 -2.695 -17.721 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.560 -1.784 -19.019 1.00 0.00 H new ATOM 480 N ILE A 24 -12.063 -4.124 -21.764 1.00 0.00 N ATOM 481 CA ILE A 24 -10.954 -4.520 -22.671 1.00 0.00 C ATOM 482 C ILE A 24 -10.223 -3.264 -23.121 1.00 0.00 C ATOM 483 O ILE A 24 -10.811 -2.325 -23.624 1.00 0.00 O ATOM 484 CB ILE A 24 -11.473 -5.309 -23.870 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.540 -6.332 -23.380 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.276 -6.036 -24.508 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.821 -7.393 -24.448 1.00 0.00 C ATOM 0 H ILE A 24 -13.002 -4.241 -22.143 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.266 -5.174 -22.135 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.937 -4.652 -24.606 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.192 -6.815 -22.467 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.463 -5.808 -23.132 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.616 -6.610 -25.370 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.535 -5.304 -24.829 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.828 -6.710 -23.777 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.570 -8.093 -24.077 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.192 -6.910 -25.352 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.902 -7.932 -24.676 1.00 0.00 H new ATOM 499 N LEU A 25 -8.946 -3.238 -22.897 1.00 0.00 N ATOM 500 CA LEU A 25 -8.125 -2.050 -23.242 1.00 0.00 C ATOM 501 C LEU A 25 -7.566 -2.174 -24.663 1.00 0.00 C ATOM 502 O LEU A 25 -7.644 -3.222 -25.285 1.00 0.00 O ATOM 503 CB LEU A 25 -6.976 -1.954 -22.230 1.00 0.00 C ATOM 504 CG LEU A 25 -7.555 -1.981 -20.802 1.00 0.00 C ATOM 505 CD1 LEU A 25 -7.546 -3.417 -20.253 1.00 0.00 C ATOM 506 CD2 LEU A 25 -6.712 -1.086 -19.892 1.00 0.00 C ATOM 0 H LEU A 25 -8.423 -4.008 -22.479 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.741 -1.151 -23.203 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.282 -2.783 -22.370 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.411 -1.035 -22.389 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.582 -1.616 -20.830 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.957 -3.423 -19.244 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.152 -4.056 -20.896 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.523 -3.791 -20.230 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.122 -1.105 -18.882 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.685 -1.450 -19.874 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.728 -0.064 -20.271 1.00 0.00 H new ATOM 518 N LYS A 26 -7.001 -1.101 -25.181 1.00 0.00 N ATOM 519 CA LYS A 26 -6.433 -1.140 -26.579 1.00 0.00 C ATOM 520 C LYS A 26 -4.908 -1.047 -26.511 1.00 0.00 C ATOM 521 O LYS A 26 -4.361 0.010 -26.278 1.00 0.00 O ATOM 522 CB LYS A 26 -6.980 0.045 -27.378 1.00 0.00 C ATOM 523 CG LYS A 26 -7.131 -0.353 -28.848 1.00 0.00 C ATOM 524 CD LYS A 26 -7.755 0.806 -29.629 1.00 0.00 C ATOM 525 CE LYS A 26 -9.212 0.986 -29.200 1.00 0.00 C ATOM 526 NZ LYS A 26 -9.951 -0.295 -29.393 1.00 0.00 N ATOM 0 H LYS A 26 -6.908 -0.205 -24.702 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.718 -2.073 -27.065 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.944 0.355 -26.974 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.307 0.898 -27.289 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.158 -0.607 -29.269 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.757 -1.241 -28.933 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.196 1.724 -29.447 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.702 0.607 -30.699 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.259 1.291 -28.155 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.679 1.779 -29.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.959 -0.094 -29.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.564 -0.798 -30.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.846 -0.888 -28.545 1.00 0.00 H new ATOM 540 N VAL A 27 -4.212 -2.144 -26.706 1.00 0.00 N ATOM 541 CA VAL A 27 -2.719 -2.095 -26.620 1.00 0.00 C ATOM 542 C VAL A 27 -2.157 -1.150 -27.679 1.00 0.00 C ATOM 543 O VAL A 27 -2.157 -1.440 -28.861 1.00 0.00 O ATOM 544 CB VAL A 27 -2.126 -3.500 -26.789 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.602 -3.443 -26.589 1.00 0.00 C ATOM 546 CG2 VAL A 27 -2.735 -4.437 -25.735 1.00 0.00 C ATOM 0 H VAL A 27 -4.609 -3.059 -26.918 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.441 -1.719 -25.636 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.351 -3.870 -27.789 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.182 -4.441 -26.709 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.163 -2.773 -27.328 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.380 -3.074 -25.588 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.316 -5.437 -25.851 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.505 -4.061 -24.738 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.816 -4.479 -25.867 1.00 0.00 H new ATOM 556 N LEU A 28 -1.659 -0.024 -27.242 1.00 0.00 N ATOM 557 CA LEU A 28 -1.064 0.965 -28.177 1.00 0.00 C ATOM 558 C LEU A 28 0.400 0.606 -28.366 1.00 0.00 C ATOM 559 O LEU A 28 0.976 0.842 -29.413 1.00 0.00 O ATOM 560 CB LEU A 28 -1.114 2.403 -27.596 1.00 0.00 C ATOM 561 CG LEU A 28 -2.382 2.648 -26.745 1.00 0.00 C ATOM 562 CD1 LEU A 28 -1.970 3.208 -25.366 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.294 3.660 -27.463 1.00 0.00 C ATOM 0 H LEU A 28 -1.641 0.253 -26.261 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.627 0.939 -29.110 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.229 2.576 -26.984 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.082 3.124 -28.413 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.920 1.710 -26.610 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.861 3.382 -24.763 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.324 2.490 -24.860 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.434 4.147 -25.500 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.188 3.833 -26.864 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.759 4.600 -27.597 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.581 3.264 -28.437 1.00 0.00 H new ATOM 575 N ASN A 29 1.022 0.056 -27.339 1.00 0.00 N ATOM 576 CA ASN A 29 2.469 -0.289 -27.459 1.00 0.00 C ATOM 577 C ASN A 29 2.846 -1.405 -26.484 1.00 0.00 C ATOM 578 O ASN A 29 2.451 -1.403 -25.327 1.00 0.00 O ATOM 579 CB ASN A 29 3.306 0.961 -27.150 1.00 0.00 C ATOM 580 CG ASN A 29 4.527 1.021 -28.078 1.00 0.00 C ATOM 581 OD1 ASN A 29 4.587 0.330 -29.077 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.509 1.829 -27.787 1.00 0.00 N ATOM 0 H ASN A 29 0.591 -0.163 -26.441 1.00 0.00 H new ATOM 0 HA ASN A 29 2.665 -0.637 -28.473 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.698 1.856 -27.278 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.631 0.943 -26.110 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.325 1.880 -28.397 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.461 2.409 -26.950 1.00 0.00 H new ATOM 673 N TRP A 36 3.606 -5.573 -17.807 1.00 0.00 N ATOM 674 CA TRP A 36 2.425 -4.650 -17.955 1.00 0.00 C ATOM 675 C TRP A 36 2.411 -4.106 -19.405 1.00 0.00 C ATOM 676 O TRP A 36 3.447 -3.812 -19.970 1.00 0.00 O ATOM 677 CB TRP A 36 2.502 -3.459 -16.961 1.00 0.00 C ATOM 678 CG TRP A 36 2.692 -3.919 -15.520 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.658 -4.770 -15.085 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.941 -3.522 -14.311 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.533 -4.930 -13.712 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.507 -4.182 -13.193 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.834 -2.670 -14.072 1.00 0.00 C ATOM 684 CZ2 TRP A 36 2.012 -4.005 -11.895 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.339 -2.495 -12.761 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.932 -3.157 -11.680 1.00 0.00 C ATOM 0 HA TRP A 36 1.514 -5.208 -17.736 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.328 -2.806 -17.243 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.589 -2.868 -17.034 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.402 -5.245 -15.707 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.135 -5.535 -13.153 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.367 -2.152 -14.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.467 -4.525 -11.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.506 -1.844 -12.591 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.551 -3.009 -10.680 1.00 0.00 H new ATOM 697 N TYR A 37 1.245 -3.990 -20.011 1.00 0.00 N ATOM 698 CA TYR A 37 1.165 -3.485 -21.430 1.00 0.00 C ATOM 699 C TYR A 37 0.765 -2.013 -21.470 1.00 0.00 C ATOM 700 O TYR A 37 0.064 -1.530 -20.609 1.00 0.00 O ATOM 701 CB TYR A 37 0.053 -4.211 -22.188 1.00 0.00 C ATOM 702 CG TYR A 37 0.320 -5.682 -22.331 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.550 -6.142 -22.810 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.695 -6.591 -22.014 1.00 0.00 C ATOM 705 CE1 TYR A 37 1.764 -7.517 -22.967 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.487 -7.957 -22.173 1.00 0.00 C ATOM 707 CZ TYR A 37 0.745 -8.426 -22.651 1.00 0.00 C ATOM 708 OH TYR A 37 0.952 -9.781 -22.813 1.00 0.00 O ATOM 0 H TYR A 37 0.347 -4.222 -19.586 1.00 0.00 H new ATOM 0 HA TYR A 37 2.149 -3.648 -21.870 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.893 -4.066 -21.666 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.058 -3.767 -23.177 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.332 -5.440 -23.058 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.644 -6.231 -21.644 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.715 -7.877 -23.332 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.273 -8.656 -21.929 1.00 0.00 H new ATOM 0 HH TYR A 37 1.881 -9.999 -22.589 1.00 0.00 H new ATOM 718 N LYS A 38 1.126 -1.324 -22.526 1.00 0.00 N ATOM 719 CA LYS A 38 0.681 0.082 -22.681 1.00 0.00 C ATOM 720 C LYS A 38 -0.600 0.018 -23.510 1.00 0.00 C ATOM 721 O LYS A 38 -0.648 -0.670 -24.513 1.00 0.00 O ATOM 722 CB LYS A 38 1.733 0.904 -23.420 1.00 0.00 C ATOM 723 CG LYS A 38 1.308 2.373 -23.416 1.00 0.00 C ATOM 724 CD LYS A 38 1.603 3.009 -24.782 1.00 0.00 C ATOM 725 CE LYS A 38 2.478 4.247 -24.589 1.00 0.00 C ATOM 726 NZ LYS A 38 2.450 5.079 -25.825 1.00 0.00 N ATOM 0 H LYS A 38 1.709 -1.681 -23.283 1.00 0.00 H new ATOM 0 HA LYS A 38 0.523 0.556 -21.712 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.705 0.792 -22.939 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.840 0.546 -24.444 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.244 2.452 -23.191 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.840 2.912 -22.632 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.108 2.291 -25.428 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.671 3.283 -25.277 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.120 4.828 -23.739 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.502 3.949 -24.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.046 5.920 -25.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.811 4.523 -26.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.473 5.375 -26.022 1.00 0.00 H new ATOM 740 N ALA A 39 -1.647 0.677 -23.089 1.00 0.00 N ATOM 741 CA ALA A 39 -2.931 0.589 -23.854 1.00 0.00 C ATOM 742 C ALA A 39 -3.830 1.728 -23.540 1.00 0.00 C ATOM 743 O ALA A 39 -3.437 2.687 -22.912 1.00 0.00 O ATOM 744 CB ALA A 39 -3.599 -0.728 -23.512 1.00 0.00 C ATOM 0 H ALA A 39 -1.672 1.267 -22.258 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.719 0.637 -24.922 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.538 -0.813 -24.059 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.942 -1.552 -23.789 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.799 -0.767 -22.441 1.00 0.00 H new ATOM 750 N GLU A 40 -5.030 1.666 -24.039 1.00 0.00 N ATOM 751 CA GLU A 40 -5.942 2.783 -23.837 1.00 0.00 C ATOM 752 C GLU A 40 -7.408 2.348 -23.857 1.00 0.00 C ATOM 753 O GLU A 40 -7.875 1.654 -24.734 1.00 0.00 O ATOM 754 CB GLU A 40 -5.610 3.826 -24.915 1.00 0.00 C ATOM 755 CG GLU A 40 -6.769 4.059 -25.909 1.00 0.00 C ATOM 756 CD GLU A 40 -6.409 5.195 -26.869 1.00 0.00 C ATOM 757 OE1 GLU A 40 -5.702 6.098 -26.450 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.847 5.143 -28.006 1.00 0.00 O ATOM 0 H GLU A 40 -5.404 0.883 -24.576 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.807 3.216 -22.846 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.357 4.770 -24.433 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.727 3.503 -25.465 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.968 3.146 -26.470 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.682 4.305 -25.366 1.00 0.00 H new ATOM 765 N LEU A 41 -8.110 2.811 -22.896 1.00 0.00 N ATOM 766 CA LEU A 41 -9.565 2.502 -22.782 1.00 0.00 C ATOM 767 C LEU A 41 -10.412 3.631 -23.260 1.00 0.00 C ATOM 768 O LEU A 41 -10.742 4.552 -22.545 1.00 0.00 O ATOM 769 CB LEU A 41 -9.933 2.157 -21.355 1.00 0.00 C ATOM 770 CG LEU A 41 -9.783 0.675 -21.185 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.588 0.350 -19.708 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.046 0.002 -21.714 1.00 0.00 C ATOM 0 H LEU A 41 -7.743 3.409 -22.155 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.757 1.640 -23.421 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.288 2.688 -20.656 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.957 2.464 -21.140 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.915 0.312 -21.736 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.479 -0.727 -19.584 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.692 0.850 -19.341 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.454 0.695 -19.142 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.958 -1.078 -21.600 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.910 0.357 -21.152 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.174 0.246 -22.769 1.00 0.00 H new ATOM 784 N ASN A 42 -10.813 3.508 -24.467 1.00 0.00 N ATOM 785 CA ASN A 42 -11.719 4.502 -25.101 1.00 0.00 C ATOM 786 C ASN A 42 -11.338 5.975 -24.800 1.00 0.00 C ATOM 787 O ASN A 42 -12.180 6.854 -24.885 1.00 0.00 O ATOM 788 CB ASN A 42 -13.113 4.257 -24.576 1.00 0.00 C ATOM 789 CG ASN A 42 -13.843 3.259 -25.477 1.00 0.00 C ATOM 790 OD1 ASN A 42 -14.160 2.163 -25.059 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.127 3.594 -26.706 1.00 0.00 N ATOM 0 H ASN A 42 -10.548 2.734 -25.076 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.643 4.369 -26.180 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.065 3.872 -23.557 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.666 5.196 -24.536 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.614 2.936 -27.314 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.862 4.514 -27.058 1.00 0.00 H new ATOM 798 N GLY A 43 -10.115 6.251 -24.456 1.00 0.00 N ATOM 799 CA GLY A 43 -9.725 7.671 -24.159 1.00 0.00 C ATOM 800 C GLY A 43 -8.597 7.709 -23.129 1.00 0.00 C ATOM 801 O GLY A 43 -7.707 8.539 -23.211 1.00 0.00 O ATOM 0 H GLY A 43 -9.365 5.565 -24.365 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.406 8.167 -25.076 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.588 8.221 -23.783 1.00 0.00 H new ATOM 805 N LYS A 44 -8.606 6.807 -22.172 1.00 0.00 N ATOM 806 CA LYS A 44 -7.544 6.774 -21.176 1.00 0.00 C ATOM 807 C LYS A 44 -6.458 5.908 -21.700 1.00 0.00 C ATOM 808 O LYS A 44 -6.609 5.256 -22.712 1.00 0.00 O ATOM 809 CB LYS A 44 -8.047 6.203 -19.856 1.00 0.00 C ATOM 810 CG LYS A 44 -8.572 7.335 -18.981 1.00 0.00 C ATOM 811 CD LYS A 44 -10.104 7.365 -19.020 1.00 0.00 C ATOM 812 CE LYS A 44 -10.575 7.829 -20.398 1.00 0.00 C ATOM 813 NZ LYS A 44 -11.861 8.570 -20.263 1.00 0.00 N ATOM 0 H LYS A 44 -9.325 6.093 -22.058 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.189 7.788 -20.991 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.837 5.475 -20.040 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.241 5.677 -19.344 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.229 7.201 -17.955 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.173 8.288 -19.328 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.502 6.374 -18.804 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.484 8.036 -18.250 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.821 8.470 -20.855 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.706 6.971 -21.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.180 8.885 -21.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.579 7.945 -19.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.722 9.398 -19.649 1.00 0.00 H new ATOM 827 N ASP A 45 -5.365 5.902 -21.036 1.00 0.00 N ATOM 828 CA ASP A 45 -4.242 5.090 -21.485 1.00 0.00 C ATOM 829 C ASP A 45 -3.171 4.924 -20.388 1.00 0.00 C ATOM 830 O ASP A 45 -3.271 5.471 -19.305 1.00 0.00 O ATOM 831 CB ASP A 45 -3.678 5.756 -22.754 1.00 0.00 C ATOM 832 CG ASP A 45 -2.497 6.712 -22.453 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.694 7.646 -21.694 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.425 6.485 -22.992 1.00 0.00 O ATOM 0 H ASP A 45 -5.200 6.437 -20.183 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.575 4.077 -21.710 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.347 4.984 -23.448 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.473 6.312 -23.251 1.00 0.00 H new ATOM 839 N GLY A 46 -2.139 4.179 -20.696 1.00 0.00 N ATOM 840 CA GLY A 46 -1.031 3.968 -19.726 1.00 0.00 C ATOM 841 C GLY A 46 -0.745 2.474 -19.546 1.00 0.00 C ATOM 842 O GLY A 46 -1.345 1.633 -20.175 1.00 0.00 O ATOM 0 H GLY A 46 -2.019 3.704 -21.591 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.132 4.475 -20.077 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.293 4.411 -18.765 1.00 0.00 H new ATOM 846 N PHE A 47 0.190 2.150 -18.691 1.00 0.00 N ATOM 847 CA PHE A 47 0.564 0.719 -18.464 1.00 0.00 C ATOM 848 C PHE A 47 -0.542 -0.022 -17.720 1.00 0.00 C ATOM 849 O PHE A 47 -1.315 0.569 -17.000 1.00 0.00 O ATOM 850 CB PHE A 47 1.837 0.671 -17.622 1.00 0.00 C ATOM 851 CG PHE A 47 2.956 1.366 -18.355 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.334 0.933 -19.631 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.611 2.449 -17.759 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.371 1.582 -20.311 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.649 3.098 -18.438 1.00 0.00 C ATOM 856 CZ PHE A 47 5.028 2.666 -19.714 1.00 0.00 C ATOM 0 H PHE A 47 0.717 2.822 -18.134 1.00 0.00 H new ATOM 0 HA PHE A 47 0.718 0.241 -19.431 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.666 1.152 -16.659 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.111 -0.364 -17.417 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.826 0.098 -20.091 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.316 2.784 -16.776 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.665 1.248 -21.295 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.157 3.932 -17.977 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.827 3.168 -20.239 1.00 0.00 H new ATOM 866 N ILE A 48 -0.603 -1.326 -17.875 1.00 0.00 N ATOM 867 CA ILE A 48 -1.634 -2.116 -17.156 1.00 0.00 C ATOM 868 C ILE A 48 -1.008 -3.462 -16.744 1.00 0.00 C ATOM 869 O ILE A 48 -0.345 -4.070 -17.540 1.00 0.00 O ATOM 870 CB ILE A 48 -2.846 -2.367 -18.068 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.380 -2.874 -19.442 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.628 -1.067 -18.247 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.547 -3.563 -20.154 1.00 0.00 C ATOM 0 H ILE A 48 0.021 -1.870 -18.471 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.973 -1.568 -16.277 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.485 -3.121 -17.608 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.013 -2.042 -20.043 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.550 -3.571 -19.322 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.487 -1.245 -18.894 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.972 -0.713 -17.275 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.983 -0.314 -18.700 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.217 -3.923 -21.129 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.893 -4.405 -19.554 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.363 -2.852 -20.287 1.00 0.00 H new ATOM 885 N PRO A 49 -1.232 -3.908 -15.517 1.00 0.00 N ATOM 886 CA PRO A 49 -0.672 -5.180 -15.071 1.00 0.00 C ATOM 887 C PRO A 49 -1.327 -6.326 -15.814 1.00 0.00 C ATOM 888 O PRO A 49 -2.486 -6.600 -15.663 1.00 0.00 O ATOM 889 CB PRO A 49 -0.938 -5.222 -13.571 1.00 0.00 C ATOM 890 CG PRO A 49 -2.087 -4.207 -13.313 1.00 0.00 C ATOM 891 CD PRO A 49 -2.049 -3.218 -14.506 1.00 0.00 C ATOM 0 HA PRO A 49 0.395 -5.274 -15.274 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.224 -6.225 -13.253 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.044 -4.952 -13.008 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.051 -4.713 -13.255 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.943 -3.685 -12.367 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.051 -3.005 -14.880 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.607 -2.264 -14.219 1.00 0.00 H new ATOM 899 N LYS A 50 -0.562 -6.954 -16.646 1.00 0.00 N ATOM 900 CA LYS A 50 -1.046 -8.084 -17.485 1.00 0.00 C ATOM 901 C LYS A 50 -1.729 -9.198 -16.656 1.00 0.00 C ATOM 902 O LYS A 50 -2.418 -10.028 -17.214 1.00 0.00 O ATOM 903 CB LYS A 50 0.166 -8.653 -18.184 1.00 0.00 C ATOM 904 CG LYS A 50 -0.215 -9.752 -19.153 1.00 0.00 C ATOM 905 CD LYS A 50 1.077 -10.292 -19.760 1.00 0.00 C ATOM 906 CE LYS A 50 0.886 -11.750 -20.174 1.00 0.00 C ATOM 907 NZ LYS A 50 2.217 -12.369 -20.436 1.00 0.00 N ATOM 0 H LYS A 50 0.422 -6.724 -16.789 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.798 -7.714 -18.182 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.684 -7.858 -18.720 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.863 -9.045 -17.444 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.759 -10.545 -18.640 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.873 -9.366 -19.932 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.361 -9.693 -20.625 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.889 -10.213 -19.038 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.366 -12.298 -19.388 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.264 -11.807 -21.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.089 -13.362 -20.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.696 -11.851 -21.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.796 -12.326 -19.573 1.00 0.00 H new ATOM 921 N ASN A 51 -1.535 -9.244 -15.355 1.00 0.00 N ATOM 922 CA ASN A 51 -2.163 -10.294 -14.545 1.00 0.00 C ATOM 923 C ASN A 51 -3.683 -10.144 -14.595 1.00 0.00 C ATOM 924 O ASN A 51 -4.418 -11.114 -14.579 1.00 0.00 O ATOM 925 CB ASN A 51 -1.663 -10.163 -13.143 1.00 0.00 C ATOM 926 CG ASN A 51 -0.402 -11.012 -12.953 1.00 0.00 C ATOM 927 OD1 ASN A 51 -0.255 -11.690 -11.957 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.520 -11.003 -13.878 1.00 0.00 N ATOM 0 H ASN A 51 -0.959 -8.584 -14.832 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.909 -11.281 -14.932 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.444 -9.118 -12.923 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.435 -10.482 -12.442 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.363 -11.566 -13.763 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.397 -10.433 -14.715 1.00 0.00 H new ATOM 935 N TYR A 52 -4.147 -8.932 -14.693 1.00 0.00 N ATOM 936 CA TYR A 52 -5.606 -8.671 -14.792 1.00 0.00 C ATOM 937 C TYR A 52 -5.949 -8.472 -16.250 1.00 0.00 C ATOM 938 O TYR A 52 -6.860 -7.730 -16.581 1.00 0.00 O ATOM 939 CB TYR A 52 -5.945 -7.365 -14.045 1.00 0.00 C ATOM 940 CG TYR A 52 -5.852 -7.507 -12.582 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.652 -7.856 -11.973 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.970 -7.229 -11.825 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.585 -7.937 -10.598 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.911 -7.300 -10.456 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.716 -7.659 -9.825 1.00 0.00 C ATOM 946 OH TYR A 52 -5.653 -7.734 -8.449 1.00 0.00 O ATOM 0 H TYR A 52 -3.564 -8.095 -14.709 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.162 -9.504 -14.362 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.267 -6.577 -14.373 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.954 -7.050 -14.312 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.778 -8.062 -12.573 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.895 -6.955 -12.311 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.658 -8.215 -10.118 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.788 -7.079 -9.866 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.528 -7.509 -8.069 1.00 0.00 H new ATOM 956 N ILE A 53 -5.216 -9.097 -17.138 1.00 0.00 N ATOM 957 CA ILE A 53 -5.493 -8.894 -18.569 1.00 0.00 C ATOM 958 C ILE A 53 -5.182 -10.135 -19.393 1.00 0.00 C ATOM 959 O ILE A 53 -4.390 -10.982 -19.027 1.00 0.00 O ATOM 960 CB ILE A 53 -4.623 -7.750 -19.174 1.00 0.00 C ATOM 961 CG1 ILE A 53 -3.923 -6.902 -18.086 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.471 -6.858 -20.086 1.00 0.00 C ATOM 963 CD1 ILE A 53 -4.884 -5.968 -17.400 1.00 0.00 C ATOM 0 H ILE A 53 -4.447 -9.732 -16.924 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.554 -8.649 -18.617 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.838 -8.223 -19.765 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.468 -7.562 -17.347 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.116 -6.325 -18.538 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.849 -6.065 -20.500 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.884 -7.456 -20.898 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.285 -6.417 -19.510 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.353 -5.391 -16.643 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.319 -5.290 -18.134 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.677 -6.546 -16.925 1.00 0.00 H new ATOM 975 N GLU A 54 -5.731 -10.149 -20.560 1.00 0.00 N ATOM 976 CA GLU A 54 -5.453 -11.189 -21.536 1.00 0.00 C ATOM 977 C GLU A 54 -5.385 -10.460 -22.866 1.00 0.00 C ATOM 978 O GLU A 54 -5.972 -9.410 -23.013 1.00 0.00 O ATOM 979 CB GLU A 54 -6.527 -12.251 -21.558 1.00 0.00 C ATOM 980 CG GLU A 54 -5.985 -13.556 -20.964 1.00 0.00 C ATOM 981 CD GLU A 54 -7.153 -14.477 -20.607 1.00 0.00 C ATOM 982 OE1 GLU A 54 -8.175 -13.966 -20.178 1.00 0.00 O ATOM 983 OE2 GLU A 54 -7.005 -15.677 -20.768 1.00 0.00 O ATOM 0 H GLU A 54 -6.392 -9.442 -20.882 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.530 -11.719 -21.300 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.394 -11.915 -20.989 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.863 -12.419 -22.581 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.326 -14.048 -21.679 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.390 -13.344 -20.076 1.00 0.00 H new ATOM 990 N MET A 55 -4.664 -10.965 -23.805 1.00 0.00 N ATOM 991 CA MET A 55 -4.524 -10.218 -25.114 1.00 0.00 C ATOM 992 C MET A 55 -5.340 -10.841 -26.227 1.00 0.00 C ATOM 993 O MET A 55 -5.060 -11.932 -26.692 1.00 0.00 O ATOM 994 CB MET A 55 -3.040 -10.146 -25.548 1.00 0.00 C ATOM 995 CG MET A 55 -2.302 -11.437 -25.181 1.00 0.00 C ATOM 996 SD MET A 55 -0.955 -11.725 -26.355 1.00 0.00 S ATOM 997 CE MET A 55 -0.507 -13.384 -25.785 1.00 0.00 C ATOM 0 H MET A 55 -4.161 -11.851 -23.748 1.00 0.00 H new ATOM 0 HA MET A 55 -4.907 -9.213 -24.938 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.979 -9.980 -26.624 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.557 -9.296 -25.066 1.00 0.00 H new ATOM 0 HG2 MET A 55 -1.905 -11.365 -24.168 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.994 -12.279 -25.193 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.322 -13.763 -26.383 1.00 0.00 H new ATOM 0 HE2 MET A 55 -0.208 -13.341 -24.738 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.364 -14.049 -25.890 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.345 -10.127 -26.680 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.174 -10.615 -27.764 1.00 0.00 C ATOM 1009 C LYS A 56 -6.672 -10.084 -29.117 1.00 0.00 C ATOM 1010 O LYS A 56 -6.194 -8.946 -29.209 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.592 -10.184 -27.528 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.310 -11.262 -26.725 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.626 -10.712 -26.157 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.536 -10.253 -27.301 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.876 -9.886 -26.759 1.00 0.00 N ATOM 0 H LYS A 56 -6.609 -9.211 -26.319 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.122 -11.703 -27.792 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.613 -9.236 -26.990 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.100 -10.022 -28.479 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.512 -12.125 -27.360 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.671 -11.607 -25.912 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.127 -11.480 -25.568 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.422 -9.878 -25.486 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.092 -9.398 -27.811 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.637 -11.048 -28.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.618 -10.265 -27.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.986 -10.286 -25.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.960 -8.850 -26.712 1.00 0.00 H new