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 Set 1.1: A 18 SER OG : rot 180:sc= 0.243 USER MOD Set 1.2: A 44 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.424) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.118 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -105:sc= 0.978 USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0.182 (180deg=0.18) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc=-0.00854 (180deg=-0.108) USER MOD Single : A 29 ASN : amide:sc= -3.75 K(o=-3.8,f=-10!) USER MOD Single : A 37 TYR OH : rot 30:sc= -1.11 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00342 X(o=-0.0034,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -4.252 -3.396 -31.008 1.00 0.00 N ATOM 125 CA MET A 1 -4.974 -4.620 -30.563 1.00 0.00 C ATOM 126 C MET A 1 -5.704 -4.337 -29.273 1.00 0.00 C ATOM 127 O MET A 1 -5.651 -3.237 -28.743 1.00 0.00 O ATOM 128 CB MET A 1 -3.991 -5.767 -30.343 1.00 0.00 C ATOM 129 CG MET A 1 -3.838 -6.549 -31.638 1.00 0.00 C ATOM 130 SD MET A 1 -2.446 -7.697 -31.493 1.00 0.00 S ATOM 131 CE MET A 1 -3.412 -9.228 -31.517 1.00 0.00 C ATOM 0 H1 MET A 1 -4.552 -3.148 -31.972 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.472 -2.610 -30.364 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.228 -3.575 -30.999 1.00 0.00 H new ATOM 0 HA MET A 1 -5.687 -4.905 -31.337 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.025 -5.377 -30.023 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.349 -6.422 -29.549 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.755 -7.098 -31.853 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.673 -5.865 -32.470 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.741 -10.083 -31.437 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.107 -9.233 -30.677 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.971 -9.291 -32.451 1.00 0.00 H new ATOM 141 N GLU A 2 -6.384 -5.322 -28.753 1.00 0.00 N ATOM 142 CA GLU A 2 -7.106 -5.144 -27.525 1.00 0.00 C ATOM 143 C GLU A 2 -6.630 -6.220 -26.577 1.00 0.00 C ATOM 144 O GLU A 2 -5.910 -7.120 -26.963 1.00 0.00 O ATOM 145 CB GLU A 2 -8.592 -5.319 -27.820 1.00 0.00 C ATOM 146 CG GLU A 2 -9.323 -3.979 -27.684 1.00 0.00 C ATOM 147 CD GLU A 2 -10.704 -4.202 -27.065 1.00 0.00 C ATOM 148 OE1 GLU A 2 -11.290 -5.238 -27.332 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.152 -3.334 -26.335 1.00 0.00 O ATOM 0 H GLU A 2 -6.453 -6.255 -29.160 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.944 -4.159 -27.088 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.726 -5.713 -28.827 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.023 -6.047 -27.133 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.741 -3.299 -27.062 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.425 -3.509 -28.662 1.00 0.00 H new ATOM 156 N ALA A 3 -7.018 -6.133 -25.362 1.00 0.00 N ATOM 157 CA ALA A 3 -6.601 -7.150 -24.368 1.00 0.00 C ATOM 158 C ALA A 3 -7.635 -7.231 -23.254 1.00 0.00 C ATOM 159 O ALA A 3 -7.858 -6.294 -22.519 1.00 0.00 O ATOM 160 CB ALA A 3 -5.264 -6.767 -23.815 1.00 0.00 C ATOM 0 H ALA A 3 -7.617 -5.393 -24.997 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.527 -8.129 -24.842 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.947 -7.509 -23.082 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.535 -6.722 -24.624 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.335 -5.791 -23.336 1.00 0.00 H new ATOM 166 N ILE A 4 -8.285 -8.343 -23.160 1.00 0.00 N ATOM 167 CA ILE A 4 -9.357 -8.533 -22.141 1.00 0.00 C ATOM 168 C ILE A 4 -8.854 -8.317 -20.740 1.00 0.00 C ATOM 169 O ILE A 4 -7.983 -9.013 -20.269 1.00 0.00 O ATOM 170 CB ILE A 4 -9.917 -9.942 -22.255 1.00 0.00 C ATOM 171 CG1 ILE A 4 -10.959 -10.191 -21.145 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.800 -10.962 -22.136 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.165 -10.844 -21.745 1.00 0.00 C ATOM 0 H ILE A 4 -8.121 -9.153 -23.757 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.132 -7.792 -22.337 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.396 -10.046 -23.229 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.535 -10.826 -20.367 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.237 -9.249 -20.672 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.214 -11.967 -22.219 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.074 -10.802 -22.933 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.308 -10.851 -21.170 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.907 -11.024 -20.967 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.590 -10.192 -22.508 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.878 -11.793 -22.198 1.00 0.00 H new ATOM 185 N ALA A 5 -9.474 -7.409 -20.052 1.00 0.00 N ATOM 186 CA ALA A 5 -9.107 -7.179 -18.618 1.00 0.00 C ATOM 187 C ALA A 5 -9.688 -8.342 -17.805 1.00 0.00 C ATOM 188 O ALA A 5 -10.878 -8.405 -17.558 1.00 0.00 O ATOM 189 CB ALA A 5 -9.704 -5.874 -18.103 1.00 0.00 C ATOM 0 H ALA A 5 -10.219 -6.812 -20.412 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.023 -7.119 -18.523 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.422 -5.732 -17.060 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.327 -5.042 -18.698 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.790 -5.914 -18.183 1.00 0.00 H new ATOM 195 N LYS A 6 -8.866 -9.274 -17.426 1.00 0.00 N ATOM 196 CA LYS A 6 -9.353 -10.467 -16.667 1.00 0.00 C ATOM 197 C LYS A 6 -10.045 -10.068 -15.344 1.00 0.00 C ATOM 198 O LYS A 6 -10.939 -10.755 -14.882 1.00 0.00 O ATOM 199 CB LYS A 6 -8.161 -11.360 -16.350 1.00 0.00 C ATOM 200 CG LYS A 6 -7.507 -11.797 -17.651 1.00 0.00 C ATOM 201 CD LYS A 6 -6.046 -12.167 -17.394 1.00 0.00 C ATOM 202 CE LYS A 6 -5.982 -13.441 -16.549 1.00 0.00 C ATOM 203 NZ LYS A 6 -6.037 -14.634 -17.443 1.00 0.00 N ATOM 0 H LYS A 6 -7.863 -9.265 -17.610 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.085 -10.987 -17.284 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.443 -10.823 -15.730 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.485 -12.231 -15.781 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.040 -12.651 -18.069 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.565 -10.994 -18.386 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.527 -12.319 -18.340 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.538 -11.351 -16.880 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.064 -13.455 -15.962 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.812 -13.464 -15.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.994 -15.500 -16.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.925 -14.622 -17.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.231 -14.613 -18.100 1.00 0.00 H new ATOM 217 N TYR A 7 -9.633 -8.984 -14.720 1.00 0.00 N ATOM 218 CA TYR A 7 -10.273 -8.579 -13.408 1.00 0.00 C ATOM 219 C TYR A 7 -10.309 -7.074 -13.295 1.00 0.00 C ATOM 220 O TYR A 7 -9.955 -6.352 -14.210 1.00 0.00 O ATOM 221 CB TYR A 7 -9.471 -9.138 -12.205 1.00 0.00 C ATOM 222 CG TYR A 7 -8.945 -10.518 -12.498 1.00 0.00 C ATOM 223 CD1 TYR A 7 -7.801 -10.663 -13.274 1.00 0.00 C ATOM 224 CD2 TYR A 7 -9.597 -11.640 -11.984 1.00 0.00 C ATOM 225 CE1 TYR A 7 -7.296 -11.935 -13.546 1.00 0.00 C ATOM 226 CE2 TYR A 7 -9.095 -12.920 -12.253 1.00 0.00 C ATOM 227 CZ TYR A 7 -7.942 -13.068 -13.035 1.00 0.00 C ATOM 228 OH TYR A 7 -7.444 -14.327 -13.303 1.00 0.00 O ATOM 0 H TYR A 7 -8.892 -8.366 -15.052 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.284 -8.986 -13.391 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.641 -8.470 -11.976 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.109 -9.169 -11.322 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.302 -9.790 -13.667 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -10.485 -11.522 -11.381 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.408 -12.046 -14.150 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.596 -13.791 -11.858 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.010 -15.001 -12.873 1.00 0.00 H new ATOM 238 N ASP A 8 -10.750 -6.599 -12.169 1.00 0.00 N ATOM 239 CA ASP A 8 -10.840 -5.144 -11.948 1.00 0.00 C ATOM 240 C ASP A 8 -9.491 -4.612 -11.461 1.00 0.00 C ATOM 241 O ASP A 8 -8.675 -5.347 -10.973 1.00 0.00 O ATOM 242 CB ASP A 8 -11.940 -4.880 -10.933 1.00 0.00 C ATOM 243 CG ASP A 8 -11.551 -5.432 -9.550 1.00 0.00 C ATOM 244 OD1 ASP A 8 -11.717 -6.621 -9.340 1.00 0.00 O ATOM 245 OD2 ASP A 8 -11.094 -4.653 -8.730 1.00 0.00 O ATOM 0 H ASP A 8 -11.056 -7.172 -11.382 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.083 -4.627 -12.876 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.127 -3.808 -10.863 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.868 -5.344 -11.267 1.00 0.00 H new ATOM 250 N PHE A 9 -9.257 -3.341 -11.615 1.00 0.00 N ATOM 251 CA PHE A 9 -7.953 -2.744 -11.200 1.00 0.00 C ATOM 252 C PHE A 9 -8.023 -1.225 -11.478 1.00 0.00 C ATOM 253 O PHE A 9 -8.944 -0.756 -12.115 1.00 0.00 O ATOM 254 CB PHE A 9 -6.843 -3.429 -12.043 1.00 0.00 C ATOM 255 CG PHE A 9 -5.564 -2.633 -12.047 1.00 0.00 C ATOM 256 CD1 PHE A 9 -5.364 -1.678 -13.036 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.586 -2.864 -11.079 1.00 0.00 C ATOM 258 CE1 PHE A 9 -4.174 -0.941 -13.067 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.396 -2.128 -11.100 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.189 -1.166 -12.097 1.00 0.00 C ATOM 0 H PHE A 9 -9.921 -2.679 -12.016 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.737 -2.894 -10.142 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.649 -4.425 -11.645 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.193 -3.557 -13.067 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.126 -1.504 -13.781 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.747 -3.610 -10.315 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.016 -0.201 -13.837 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.639 -2.301 -10.349 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.271 -0.598 -12.118 1.00 0.00 H new ATOM 270 N LYS A 10 -7.065 -0.459 -11.007 1.00 0.00 N ATOM 271 CA LYS A 10 -7.103 1.019 -11.262 1.00 0.00 C ATOM 272 C LYS A 10 -5.699 1.558 -11.481 1.00 0.00 C ATOM 273 O LYS A 10 -4.713 0.919 -11.162 1.00 0.00 O ATOM 274 CB LYS A 10 -7.806 1.738 -10.081 1.00 0.00 C ATOM 275 CG LYS A 10 -6.855 1.900 -8.884 1.00 0.00 C ATOM 276 CD LYS A 10 -7.655 2.313 -7.646 1.00 0.00 C ATOM 277 CE LYS A 10 -8.226 1.066 -6.972 1.00 0.00 C ATOM 278 NZ LYS A 10 -7.237 0.535 -5.993 1.00 0.00 N ATOM 0 H LYS A 10 -6.267 -0.788 -10.463 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.675 1.211 -12.170 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.157 2.718 -10.405 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.685 1.169 -9.777 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.330 0.964 -8.695 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.097 2.651 -9.107 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.015 2.855 -6.950 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.462 2.989 -7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.161 1.308 -6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.456 0.308 -7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.625 -0.314 -5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.356 0.289 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.039 1.258 -5.273 1.00 0.00 H new ATOM 292 N ALA A 11 -5.615 2.739 -12.021 1.00 0.00 N ATOM 293 CA ALA A 11 -4.299 3.346 -12.277 1.00 0.00 C ATOM 294 C ALA A 11 -3.654 3.688 -10.930 1.00 0.00 C ATOM 295 O ALA A 11 -4.302 4.232 -10.052 1.00 0.00 O ATOM 296 CB ALA A 11 -4.458 4.615 -13.106 1.00 0.00 C ATOM 0 H ALA A 11 -6.415 3.309 -12.296 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.672 2.647 -12.830 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.478 5.055 -13.289 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.930 4.371 -14.058 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.080 5.328 -12.565 1.00 0.00 H new ATOM 302 N THR A 12 -2.396 3.376 -10.753 1.00 0.00 N ATOM 303 CA THR A 12 -1.726 3.689 -9.446 1.00 0.00 C ATOM 304 C THR A 12 -0.658 4.753 -9.672 1.00 0.00 C ATOM 305 O THR A 12 -0.509 5.675 -8.888 1.00 0.00 O ATOM 306 CB THR A 12 -1.073 2.420 -8.863 1.00 0.00 C ATOM 307 OG1 THR A 12 0.126 2.134 -9.571 1.00 0.00 O ATOM 308 CG2 THR A 12 -2.036 1.231 -8.977 1.00 0.00 C ATOM 0 H THR A 12 -1.804 2.922 -11.448 1.00 0.00 H new ATOM 0 HA THR A 12 -2.472 4.056 -8.741 1.00 0.00 H new ATOM 0 HB THR A 12 -0.843 2.589 -7.811 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.022 1.374 -10.171 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.565 0.340 -8.562 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.950 1.449 -8.424 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.279 1.058 -10.026 1.00 0.00 H new ATOM 316 N ALA A 13 0.081 4.635 -10.743 1.00 0.00 N ATOM 317 CA ALA A 13 1.141 5.638 -11.040 1.00 0.00 C ATOM 318 C ALA A 13 0.555 6.757 -11.861 1.00 0.00 C ATOM 319 O ALA A 13 -0.507 6.640 -12.444 1.00 0.00 O ATOM 320 CB ALA A 13 2.276 4.983 -11.828 1.00 0.00 C ATOM 0 H ALA A 13 -0.006 3.883 -11.427 1.00 0.00 H new ATOM 0 HA ALA A 13 1.532 6.030 -10.101 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.046 5.724 -12.041 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.706 4.171 -11.241 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.886 4.586 -12.765 1.00 0.00 H new ATOM 326 N ASP A 14 1.250 7.844 -11.906 1.00 0.00 N ATOM 327 CA ASP A 14 0.789 9.015 -12.676 1.00 0.00 C ATOM 328 C ASP A 14 0.632 8.651 -14.160 1.00 0.00 C ATOM 329 O ASP A 14 -0.054 9.330 -14.903 1.00 0.00 O ATOM 330 CB ASP A 14 1.825 10.094 -12.508 1.00 0.00 C ATOM 331 CG ASP A 14 1.191 11.468 -12.729 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.590 11.660 -13.773 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.317 12.305 -11.851 1.00 0.00 O ATOM 0 H ASP A 14 2.142 7.974 -11.429 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.182 9.354 -12.316 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.258 10.041 -11.509 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.639 9.942 -13.217 1.00 0.00 H new ATOM 338 N ASP A 15 1.258 7.576 -14.594 1.00 0.00 N ATOM 339 CA ASP A 15 1.148 7.160 -15.994 1.00 0.00 C ATOM 340 C ASP A 15 0.580 5.739 -16.061 1.00 0.00 C ATOM 341 O ASP A 15 1.035 4.921 -16.840 1.00 0.00 O ATOM 342 CB ASP A 15 2.531 7.197 -16.650 1.00 0.00 C ATOM 343 CG ASP A 15 2.373 7.359 -18.163 1.00 0.00 C ATOM 344 OD1 ASP A 15 1.862 8.384 -18.579 1.00 0.00 O ATOM 345 OD2 ASP A 15 2.768 6.453 -18.880 1.00 0.00 O ATOM 0 H ASP A 15 1.843 6.975 -14.013 1.00 0.00 H new ATOM 0 HA ASP A 15 0.481 7.840 -16.525 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.116 8.022 -16.244 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.076 6.280 -16.427 1.00 0.00 H new ATOM 350 N GLU A 16 -0.412 5.435 -15.250 1.00 0.00 N ATOM 351 CA GLU A 16 -1.003 4.072 -15.271 1.00 0.00 C ATOM 352 C GLU A 16 -2.440 4.155 -15.795 1.00 0.00 C ATOM 353 O GLU A 16 -2.990 5.233 -15.935 1.00 0.00 O ATOM 354 CB GLU A 16 -0.991 3.495 -13.853 1.00 0.00 C ATOM 355 CG GLU A 16 -1.136 1.972 -13.913 1.00 0.00 C ATOM 356 CD GLU A 16 -0.062 1.308 -13.042 1.00 0.00 C ATOM 357 OE1 GLU A 16 -0.278 1.203 -11.847 1.00 0.00 O ATOM 358 OE2 GLU A 16 0.957 0.917 -13.589 1.00 0.00 O ATOM 0 H GLU A 16 -0.831 6.078 -14.578 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.421 3.422 -15.925 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.062 3.762 -13.350 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.805 3.924 -13.269 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.128 1.679 -13.568 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.043 1.630 -14.944 1.00 0.00 H new ATOM 365 N LEU A 17 -3.048 3.029 -16.110 1.00 0.00 N ATOM 366 CA LEU A 17 -4.443 3.061 -16.649 1.00 0.00 C ATOM 367 C LEU A 17 -5.396 2.283 -15.738 1.00 0.00 C ATOM 368 O LEU A 17 -5.027 1.305 -15.121 1.00 0.00 O ATOM 369 CB LEU A 17 -4.444 2.449 -18.062 1.00 0.00 C ATOM 370 CG LEU A 17 -5.844 2.526 -18.685 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.101 3.943 -19.205 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.935 1.528 -19.855 1.00 0.00 C ATOM 0 H LEU A 17 -2.639 2.099 -16.017 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.788 4.094 -16.691 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.730 2.978 -18.693 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.118 1.410 -18.014 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.590 2.278 -17.930 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.096 3.994 -19.647 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.034 4.651 -18.379 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.356 4.194 -19.960 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.928 1.579 -20.301 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.187 1.779 -20.607 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.754 0.518 -19.487 1.00 0.00 H new ATOM 384 N SER A 18 -6.627 2.736 -15.648 1.00 0.00 N ATOM 385 CA SER A 18 -7.622 2.068 -14.785 1.00 0.00 C ATOM 386 C SER A 18 -8.638 1.302 -15.648 1.00 0.00 C ATOM 387 O SER A 18 -8.905 1.663 -16.779 1.00 0.00 O ATOM 388 CB SER A 18 -8.347 3.124 -13.986 1.00 0.00 C ATOM 389 OG SER A 18 -7.519 4.274 -13.827 1.00 0.00 O ATOM 0 H SER A 18 -6.977 3.553 -16.149 1.00 0.00 H new ATOM 0 HA SER A 18 -7.119 1.365 -14.122 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.273 3.400 -14.490 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.622 2.727 -13.009 1.00 0.00 H new ATOM 0 HG SER A 18 -7.999 4.954 -13.309 1.00 0.00 H new ATOM 395 N PHE A 19 -9.215 0.258 -15.108 1.00 0.00 N ATOM 396 CA PHE A 19 -10.230 -0.533 -15.868 1.00 0.00 C ATOM 397 C PHE A 19 -10.910 -1.514 -14.909 1.00 0.00 C ATOM 398 O PHE A 19 -10.469 -1.695 -13.803 1.00 0.00 O ATOM 399 CB PHE A 19 -9.548 -1.302 -17.007 1.00 0.00 C ATOM 400 CG PHE A 19 -8.465 -2.194 -16.453 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.805 -3.418 -15.875 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.125 -1.797 -16.523 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.804 -4.251 -15.364 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.122 -2.629 -16.011 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.462 -3.856 -15.431 1.00 0.00 C ATOM 0 H PHE A 19 -9.025 -0.083 -14.166 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.974 0.138 -16.298 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.284 -1.901 -17.544 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.121 -0.602 -17.725 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.840 -3.722 -15.822 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.865 -0.850 -16.972 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.066 -5.199 -14.918 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.087 -2.324 -16.064 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.690 -4.499 -15.035 1.00 0.00 H new ATOM 415 N LYS A 20 -11.984 -2.133 -15.322 1.00 0.00 N ATOM 416 CA LYS A 20 -12.698 -3.092 -14.424 1.00 0.00 C ATOM 417 C LYS A 20 -12.655 -4.492 -15.017 1.00 0.00 C ATOM 418 O LYS A 20 -12.082 -4.723 -16.062 1.00 0.00 O ATOM 419 CB LYS A 20 -14.153 -2.664 -14.287 1.00 0.00 C ATOM 420 CG LYS A 20 -14.214 -1.236 -13.766 1.00 0.00 C ATOM 421 CD LYS A 20 -14.164 -1.242 -12.234 1.00 0.00 C ATOM 422 CE LYS A 20 -13.377 -0.025 -11.735 1.00 0.00 C ATOM 423 NZ LYS A 20 -12.024 -0.460 -11.286 1.00 0.00 N ATOM 0 H LYS A 20 -12.400 -2.016 -16.246 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.211 -3.094 -13.449 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.656 -2.732 -15.252 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.678 -3.334 -13.606 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.380 -0.658 -14.164 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.129 -0.753 -14.108 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.175 -1.224 -11.828 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.695 -2.160 -11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.288 0.715 -12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.909 0.453 -10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.501 0.359 -10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.120 -1.176 -10.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.505 -0.867 -12.090 1.00 0.00 H new ATOM 437 N ARG A 21 -13.270 -5.424 -14.345 1.00 0.00 N ATOM 438 CA ARG A 21 -13.300 -6.823 -14.838 1.00 0.00 C ATOM 439 C ARG A 21 -14.215 -6.909 -16.059 1.00 0.00 C ATOM 440 O ARG A 21 -15.425 -6.825 -15.946 1.00 0.00 O ATOM 441 CB ARG A 21 -13.845 -7.702 -13.732 1.00 0.00 C ATOM 442 CG ARG A 21 -13.652 -9.172 -14.081 1.00 0.00 C ATOM 443 CD ARG A 21 -13.542 -9.975 -12.784 1.00 0.00 C ATOM 444 NE ARG A 21 -14.446 -11.157 -12.851 1.00 0.00 N ATOM 445 CZ ARG A 21 -15.487 -11.228 -12.067 1.00 0.00 C ATOM 446 NH1 ARG A 21 -15.335 -11.168 -10.772 1.00 0.00 N ATOM 447 NH2 ARG A 21 -16.681 -11.360 -12.578 1.00 0.00 N ATOM 0 H ARG A 21 -13.759 -5.271 -13.463 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.299 -7.150 -15.119 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.338 -7.474 -12.794 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.904 -7.493 -13.581 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.490 -9.532 -14.678 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.753 -9.302 -14.683 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.513 -10.300 -12.631 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.808 -9.349 -11.933 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.251 -11.911 -13.510 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.402 -11.066 -10.372 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.149 -11.224 -10.160 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.800 -11.408 -13.590 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.495 -11.416 -11.965 1.00 0.00 H new ATOM 461 N GLY A 22 -13.647 -7.066 -17.224 1.00 0.00 N ATOM 462 CA GLY A 22 -14.474 -7.146 -18.466 1.00 0.00 C ATOM 463 C GLY A 22 -14.257 -5.887 -19.327 1.00 0.00 C ATOM 464 O GLY A 22 -14.827 -5.758 -20.395 1.00 0.00 O ATOM 0 H GLY A 22 -12.641 -7.143 -17.371 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.205 -8.036 -19.035 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.528 -7.241 -18.205 1.00 0.00 H new ATOM 468 N ASP A 23 -13.425 -4.964 -18.878 1.00 0.00 N ATOM 469 CA ASP A 23 -13.164 -3.756 -19.649 1.00 0.00 C ATOM 470 C ASP A 23 -11.909 -3.986 -20.460 1.00 0.00 C ATOM 471 O ASP A 23 -10.802 -3.829 -19.971 1.00 0.00 O ATOM 472 CB ASP A 23 -12.960 -2.571 -18.704 1.00 0.00 C ATOM 473 CG ASP A 23 -13.875 -1.411 -19.113 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.968 -1.681 -19.580 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.463 -0.273 -18.953 1.00 0.00 O ATOM 0 H ASP A 23 -12.922 -5.024 -17.993 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.006 -3.534 -20.305 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.176 -2.871 -17.679 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.919 -2.250 -18.729 1.00 0.00 H new ATOM 480 N ILE A 24 -12.067 -4.373 -21.679 1.00 0.00 N ATOM 481 CA ILE A 24 -10.886 -4.642 -22.533 1.00 0.00 C ATOM 482 C ILE A 24 -10.176 -3.322 -22.835 1.00 0.00 C ATOM 483 O ILE A 24 -10.799 -2.294 -23.022 1.00 0.00 O ATOM 484 CB ILE A 24 -11.308 -5.361 -23.825 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.392 -6.436 -23.486 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.063 -6.026 -24.415 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.537 -7.462 -24.619 1.00 0.00 C ATOM 0 H ILE A 24 -12.970 -4.518 -22.130 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.194 -5.300 -22.007 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.731 -4.660 -24.544 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.123 -6.948 -22.562 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.350 -5.946 -23.312 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.330 -6.546 -25.335 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.313 -5.266 -24.632 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.658 -6.741 -23.699 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.298 -8.195 -24.351 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.831 -6.952 -25.536 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.585 -7.969 -24.775 1.00 0.00 H new ATOM 499 N LEU A 25 -8.869 -3.349 -22.852 1.00 0.00 N ATOM 500 CA LEU A 25 -8.079 -2.103 -23.105 1.00 0.00 C ATOM 501 C LEU A 25 -7.577 -2.098 -24.546 1.00 0.00 C ATOM 502 O LEU A 25 -7.560 -3.125 -25.204 1.00 0.00 O ATOM 503 CB LEU A 25 -6.858 -2.050 -22.147 1.00 0.00 C ATOM 504 CG LEU A 25 -7.241 -2.389 -20.669 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.542 -1.690 -20.253 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.397 -3.906 -20.496 1.00 0.00 C ATOM 0 H LEU A 25 -8.308 -4.188 -22.700 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.719 -1.237 -22.933 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.099 -2.752 -22.492 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.414 -1.055 -22.185 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.436 -2.028 -20.028 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.779 -1.947 -19.221 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.419 -0.610 -20.339 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.354 -2.015 -20.904 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.664 -4.129 -19.463 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.182 -4.269 -21.160 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.457 -4.399 -20.742 1.00 0.00 H new ATOM 518 N LYS A 26 -7.142 -0.952 -25.042 1.00 0.00 N ATOM 519 CA LYS A 26 -6.616 -0.902 -26.457 1.00 0.00 C ATOM 520 C LYS A 26 -5.100 -0.799 -26.400 1.00 0.00 C ATOM 521 O LYS A 26 -4.558 0.268 -26.219 1.00 0.00 O ATOM 522 CB LYS A 26 -7.186 0.314 -27.197 1.00 0.00 C ATOM 523 CG LYS A 26 -8.502 -0.072 -27.880 1.00 0.00 C ATOM 524 CD LYS A 26 -9.647 -0.049 -26.855 1.00 0.00 C ATOM 525 CE LYS A 26 -10.513 1.194 -27.073 1.00 0.00 C ATOM 526 NZ LYS A 26 -11.328 1.022 -28.307 1.00 0.00 N ATOM 0 H LYS A 26 -7.128 -0.065 -24.539 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.917 -1.803 -26.992 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.354 1.133 -26.497 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.470 0.670 -27.938 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.717 0.620 -28.694 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.416 -1.065 -28.321 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.254 -0.949 -26.954 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.242 -0.048 -25.843 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.164 1.352 -26.213 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.882 2.079 -27.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.147 1.662 -28.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.747 1.245 -29.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.660 0.038 -28.370 1.00 0.00 H new ATOM 540 N VAL A 27 -4.406 -1.904 -26.533 1.00 0.00 N ATOM 541 CA VAL A 27 -2.914 -1.860 -26.444 1.00 0.00 C ATOM 542 C VAL A 27 -2.338 -0.959 -27.531 1.00 0.00 C ATOM 543 O VAL A 27 -2.322 -1.301 -28.699 1.00 0.00 O ATOM 544 CB VAL A 27 -2.331 -3.270 -26.569 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.855 -3.229 -26.168 1.00 0.00 C ATOM 546 CG2 VAL A 27 -3.090 -4.241 -25.638 1.00 0.00 C ATOM 0 H VAL A 27 -4.806 -2.828 -26.698 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.642 -1.450 -25.471 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.431 -3.617 -27.597 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.427 -4.228 -26.253 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.318 -2.547 -26.827 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.767 -2.883 -25.138 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.668 -5.241 -25.734 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.995 -3.904 -24.606 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.144 -4.263 -25.917 1.00 0.00 H new ATOM 556 N LEU A 28 -1.846 0.190 -27.141 1.00 0.00 N ATOM 557 CA LEU A 28 -1.244 1.130 -28.123 1.00 0.00 C ATOM 558 C LEU A 28 0.200 0.721 -28.338 1.00 0.00 C ATOM 559 O LEU A 28 0.739 0.858 -29.420 1.00 0.00 O ATOM 560 CB LEU A 28 -1.244 2.584 -27.595 1.00 0.00 C ATOM 561 CG LEU A 28 -2.522 2.900 -26.786 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.138 3.357 -25.371 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.302 4.021 -27.479 1.00 0.00 C ATOM 0 H LEU A 28 -1.838 0.516 -26.174 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.829 1.089 -29.042 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.367 2.743 -26.967 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.164 3.275 -28.434 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.139 2.003 -26.727 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.041 3.579 -24.803 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.581 2.565 -24.871 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.519 4.252 -25.433 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.203 4.244 -26.908 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.680 4.914 -27.538 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.578 3.704 -28.485 1.00 0.00 H new ATOM 575 N ASN A 29 0.843 0.226 -27.299 1.00 0.00 N ATOM 576 CA ASN A 29 2.274 -0.182 -27.444 1.00 0.00 C ATOM 577 C ASN A 29 2.562 -1.427 -26.610 1.00 0.00 C ATOM 578 O ASN A 29 2.054 -1.587 -25.511 1.00 0.00 O ATOM 579 CB ASN A 29 3.194 0.951 -26.986 1.00 0.00 C ATOM 580 CG ASN A 29 2.947 2.199 -27.843 1.00 0.00 C ATOM 581 OD1 ASN A 29 1.890 2.795 -27.786 1.00 0.00 O ATOM 582 ND2 ASN A 29 3.888 2.622 -28.641 1.00 0.00 N ATOM 0 H ASN A 29 0.441 0.090 -26.372 1.00 0.00 H new ATOM 0 HA ASN A 29 2.460 -0.402 -28.495 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.012 1.178 -25.936 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.236 0.642 -27.069 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.735 3.451 -29.215 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.777 2.124 -28.691 1.00 0.00 H new ATOM 673 N TRP A 36 3.383 -5.603 -17.469 1.00 0.00 N ATOM 674 CA TRP A 36 2.520 -4.414 -17.833 1.00 0.00 C ATOM 675 C TRP A 36 2.692 -4.080 -19.339 1.00 0.00 C ATOM 676 O TRP A 36 3.606 -4.542 -19.991 1.00 0.00 O ATOM 677 CB TRP A 36 2.892 -3.172 -16.986 1.00 0.00 C ATOM 678 CG TRP A 36 2.901 -3.493 -15.507 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.821 -4.271 -14.876 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.987 -3.025 -14.454 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.519 -4.321 -13.526 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.413 -3.568 -13.214 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.841 -2.196 -14.446 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.742 -3.297 -12.018 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.170 -1.929 -13.234 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.623 -2.474 -12.030 1.00 0.00 C ATOM 0 HA TRP A 36 1.482 -4.675 -17.627 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.874 -2.806 -17.286 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.180 -2.370 -17.181 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.653 -4.769 -15.351 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.055 -4.855 -12.842 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.479 -1.767 -15.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.092 -3.725 -11.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.705 -1.295 -13.237 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.103 -2.255 -11.109 1.00 0.00 H new ATOM 697 N TYR A 37 1.805 -3.268 -19.876 1.00 0.00 N ATOM 698 CA TYR A 37 1.864 -2.865 -21.328 1.00 0.00 C ATOM 699 C TYR A 37 1.395 -1.406 -21.426 1.00 0.00 C ATOM 700 O TYR A 37 1.215 -0.755 -20.439 1.00 0.00 O ATOM 701 CB TYR A 37 0.857 -3.691 -22.165 1.00 0.00 C ATOM 702 CG TYR A 37 1.132 -5.175 -22.145 1.00 0.00 C ATOM 703 CD1 TYR A 37 2.437 -5.674 -22.184 1.00 0.00 C ATOM 704 CD2 TYR A 37 0.042 -6.056 -22.133 1.00 0.00 C ATOM 705 CE1 TYR A 37 2.653 -7.060 -22.209 1.00 0.00 C ATOM 706 CE2 TYR A 37 0.247 -7.432 -22.151 1.00 0.00 C ATOM 707 CZ TYR A 37 1.558 -7.942 -22.191 1.00 0.00 C ATOM 708 OH TYR A 37 1.775 -9.305 -22.224 1.00 0.00 O ATOM 0 H TYR A 37 1.026 -2.859 -19.360 1.00 0.00 H new ATOM 0 HA TYR A 37 2.879 -3.017 -21.694 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.150 -3.511 -21.789 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.879 -3.339 -23.196 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.277 -4.995 -22.195 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.964 -5.664 -22.110 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.660 -7.449 -22.242 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.597 -8.106 -22.134 1.00 0.00 H new ATOM 0 HH TYR A 37 2.631 -9.510 -21.794 1.00 0.00 H new ATOM 718 N LYS A 38 1.130 -0.924 -22.621 1.00 0.00 N ATOM 719 CA LYS A 38 0.586 0.453 -22.791 1.00 0.00 C ATOM 720 C LYS A 38 -0.752 0.287 -23.515 1.00 0.00 C ATOM 721 O LYS A 38 -0.857 -0.502 -24.439 1.00 0.00 O ATOM 722 CB LYS A 38 1.525 1.296 -23.639 1.00 0.00 C ATOM 723 CG LYS A 38 1.034 2.739 -23.619 1.00 0.00 C ATOM 724 CD LYS A 38 1.375 3.427 -24.946 1.00 0.00 C ATOM 725 CE LYS A 38 2.182 4.698 -24.672 1.00 0.00 C ATOM 726 NZ LYS A 38 2.176 5.567 -25.884 1.00 0.00 N ATOM 0 H LYS A 38 1.271 -1.437 -23.491 1.00 0.00 H new ATOM 0 HA LYS A 38 0.472 0.954 -21.830 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.542 1.237 -23.250 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.552 0.920 -24.662 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.043 2.763 -23.454 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.496 3.278 -22.791 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.947 2.751 -25.582 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.460 3.674 -25.485 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.756 5.236 -23.825 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.206 4.439 -24.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.725 6.430 -25.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.602 5.053 -26.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.197 5.825 -26.122 1.00 0.00 H new ATOM 740 N ALA A 39 -1.778 0.988 -23.104 1.00 0.00 N ATOM 741 CA ALA A 39 -3.107 0.817 -23.775 1.00 0.00 C ATOM 742 C ALA A 39 -4.025 1.914 -23.412 1.00 0.00 C ATOM 743 O ALA A 39 -3.641 2.871 -22.771 1.00 0.00 O ATOM 744 CB ALA A 39 -3.704 -0.516 -23.377 1.00 0.00 C ATOM 0 H ALA A 39 -1.757 1.665 -22.341 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.961 0.843 -24.855 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.671 -0.642 -23.864 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.035 -1.320 -23.684 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.836 -0.547 -22.295 1.00 0.00 H new ATOM 750 N GLU A 40 -5.241 1.829 -23.876 1.00 0.00 N ATOM 751 CA GLU A 40 -6.160 2.926 -23.614 1.00 0.00 C ATOM 752 C GLU A 40 -7.631 2.512 -23.671 1.00 0.00 C ATOM 753 O GLU A 40 -8.086 1.812 -24.544 1.00 0.00 O ATOM 754 CB GLU A 40 -5.801 4.037 -24.623 1.00 0.00 C ATOM 755 CG GLU A 40 -6.989 4.484 -25.509 1.00 0.00 C ATOM 756 CD GLU A 40 -6.476 5.267 -26.718 1.00 0.00 C ATOM 757 OE1 GLU A 40 -5.956 4.642 -27.624 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.623 6.477 -26.722 1.00 0.00 O ATOM 0 H GLU A 40 -5.618 1.050 -24.417 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.045 3.284 -22.591 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.421 4.901 -24.078 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.993 3.685 -25.265 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.552 3.613 -25.843 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.673 5.103 -24.929 1.00 0.00 H new ATOM 765 N LEU A 41 -8.354 3.012 -22.740 1.00 0.00 N ATOM 766 CA LEU A 41 -9.821 2.742 -22.668 1.00 0.00 C ATOM 767 C LEU A 41 -10.620 3.832 -23.296 1.00 0.00 C ATOM 768 O LEU A 41 -10.981 4.816 -22.683 1.00 0.00 O ATOM 769 CB LEU A 41 -10.275 2.546 -21.235 1.00 0.00 C ATOM 770 CG LEU A 41 -10.172 1.087 -20.916 1.00 0.00 C ATOM 771 CD1 LEU A 41 -10.135 0.900 -19.399 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.389 0.379 -21.503 1.00 0.00 C ATOM 0 H LEU A 41 -7.996 3.614 -21.999 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.993 1.822 -23.227 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.655 3.130 -20.555 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.301 2.893 -21.109 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.261 0.667 -21.342 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.060 -0.162 -19.165 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.272 1.424 -18.989 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.047 1.305 -18.960 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.332 -0.687 -21.281 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.297 0.793 -21.065 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.408 0.524 -22.583 1.00 0.00 H new ATOM 784 N ASN A 42 -10.950 3.606 -24.512 1.00 0.00 N ATOM 785 CA ASN A 42 -11.807 4.543 -25.296 1.00 0.00 C ATOM 786 C ASN A 42 -11.500 6.043 -25.045 1.00 0.00 C ATOM 787 O ASN A 42 -12.366 6.885 -25.224 1.00 0.00 O ATOM 788 CB ASN A 42 -13.242 4.289 -24.902 1.00 0.00 C ATOM 789 CG ASN A 42 -13.855 3.224 -25.814 1.00 0.00 C ATOM 790 OD1 ASN A 42 -14.478 3.544 -26.805 1.00 0.00 O ATOM 791 ND2 ASN A 42 -13.702 1.963 -25.518 1.00 0.00 N ATOM 0 H ASN A 42 -10.656 2.779 -25.031 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.608 4.353 -26.351 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.290 3.961 -23.863 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.816 5.213 -24.972 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.106 1.245 -26.120 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.178 1.695 -24.685 1.00 0.00 H new ATOM 798 N GLY A 43 -10.319 6.377 -24.643 1.00 0.00 N ATOM 799 CA GLY A 43 -10.000 7.821 -24.386 1.00 0.00 C ATOM 800 C GLY A 43 -8.889 7.914 -23.357 1.00 0.00 C ATOM 801 O GLY A 43 -7.927 8.639 -23.539 1.00 0.00 O ATOM 0 H GLY A 43 -9.552 5.725 -24.477 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.695 8.308 -25.312 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.887 8.343 -24.028 1.00 0.00 H new ATOM 805 N LYS A 44 -8.988 7.154 -22.290 1.00 0.00 N ATOM 806 CA LYS A 44 -7.939 7.160 -21.292 1.00 0.00 C ATOM 807 C LYS A 44 -6.853 6.302 -21.806 1.00 0.00 C ATOM 808 O LYS A 44 -7.055 5.504 -22.698 1.00 0.00 O ATOM 809 CB LYS A 44 -8.432 6.626 -19.968 1.00 0.00 C ATOM 810 CG LYS A 44 -8.967 7.786 -19.147 1.00 0.00 C ATOM 811 CD LYS A 44 -9.886 7.264 -18.039 1.00 0.00 C ATOM 812 CE LYS A 44 -9.085 6.377 -17.087 1.00 0.00 C ATOM 813 NZ LYS A 44 -10.019 5.570 -16.251 1.00 0.00 N ATOM 0 H LYS A 44 -9.771 6.532 -22.091 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.596 8.180 -21.117 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.213 5.883 -20.127 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.622 6.128 -19.436 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.140 8.346 -18.711 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.514 8.475 -19.790 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.325 8.099 -17.492 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.711 6.698 -18.473 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.427 5.719 -17.654 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.449 6.991 -16.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.581 5.379 -15.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.904 6.098 -16.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.224 4.670 -16.730 1.00 0.00 H new ATOM 827 N ASP A 45 -5.703 6.477 -21.294 1.00 0.00 N ATOM 828 CA ASP A 45 -4.568 5.703 -21.770 1.00 0.00 C ATOM 829 C ASP A 45 -3.560 5.473 -20.637 1.00 0.00 C ATOM 830 O ASP A 45 -3.711 5.984 -19.543 1.00 0.00 O ATOM 831 CB ASP A 45 -3.857 6.486 -22.881 1.00 0.00 C ATOM 832 CG ASP A 45 -4.849 7.214 -23.808 1.00 0.00 C ATOM 833 OD1 ASP A 45 -5.507 8.127 -23.339 1.00 0.00 O ATOM 834 OD2 ASP A 45 -4.922 6.848 -24.966 1.00 0.00 O ATOM 0 H ASP A 45 -5.494 7.139 -20.547 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.933 4.744 -22.137 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.180 7.214 -22.434 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.246 5.803 -23.471 1.00 0.00 H new ATOM 839 N GLY A 46 -2.500 4.745 -20.920 1.00 0.00 N ATOM 840 CA GLY A 46 -1.437 4.521 -19.892 1.00 0.00 C ATOM 841 C GLY A 46 -1.138 3.041 -19.663 1.00 0.00 C ATOM 842 O GLY A 46 -1.740 2.162 -20.239 1.00 0.00 O ATOM 0 H GLY A 46 -2.329 4.298 -21.821 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.524 5.027 -20.204 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.747 4.974 -18.950 1.00 0.00 H new ATOM 846 N PHE A 47 -0.165 2.784 -18.817 1.00 0.00 N ATOM 847 CA PHE A 47 0.273 1.388 -18.511 1.00 0.00 C ATOM 848 C PHE A 47 -0.919 0.488 -18.166 1.00 0.00 C ATOM 849 O PHE A 47 -1.971 0.954 -17.774 1.00 0.00 O ATOM 850 CB PHE A 47 1.243 1.421 -17.316 1.00 0.00 C ATOM 851 CG PHE A 47 2.669 1.757 -17.765 1.00 0.00 C ATOM 852 CD1 PHE A 47 2.907 2.585 -18.882 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.754 1.242 -17.041 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.220 2.885 -19.265 1.00 0.00 C ATOM 855 CE2 PHE A 47 5.066 1.547 -17.428 1.00 0.00 C ATOM 856 CZ PHE A 47 5.297 2.366 -18.538 1.00 0.00 C ATOM 0 H PHE A 47 0.354 3.505 -18.315 1.00 0.00 H new ATOM 0 HA PHE A 47 0.762 0.979 -19.395 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.904 2.160 -16.590 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.236 0.454 -16.813 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.076 2.988 -19.442 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.578 0.609 -16.184 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.401 3.517 -20.122 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.900 1.149 -16.868 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.309 2.598 -18.835 1.00 0.00 H new ATOM 866 N ILE A 48 -0.744 -0.812 -18.297 1.00 0.00 N ATOM 867 CA ILE A 48 -1.832 -1.759 -17.969 1.00 0.00 C ATOM 868 C ILE A 48 -1.180 -3.107 -17.567 1.00 0.00 C ATOM 869 O ILE A 48 -0.614 -3.770 -18.403 1.00 0.00 O ATOM 870 CB ILE A 48 -2.747 -1.959 -19.191 1.00 0.00 C ATOM 871 CG1 ILE A 48 -1.907 -2.172 -20.465 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.631 -0.725 -19.369 1.00 0.00 C ATOM 873 CD1 ILE A 48 -2.575 -3.231 -21.348 1.00 0.00 C ATOM 0 H ILE A 48 0.120 -1.247 -18.621 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.439 -1.371 -17.151 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.366 -2.841 -19.026 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.813 -1.234 -21.012 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.898 -2.489 -20.199 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.280 -0.864 -20.234 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.241 -0.582 -18.477 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.004 0.153 -19.524 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.980 -3.381 -22.249 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.646 -4.170 -20.799 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.575 -2.896 -21.625 1.00 0.00 H new ATOM 885 N PRO A 49 -1.261 -3.485 -16.297 1.00 0.00 N ATOM 886 CA PRO A 49 -0.643 -4.731 -15.842 1.00 0.00 C ATOM 887 C PRO A 49 -1.265 -5.929 -16.544 1.00 0.00 C ATOM 888 O PRO A 49 -2.392 -6.258 -16.337 1.00 0.00 O ATOM 889 CB PRO A 49 -0.875 -4.746 -14.322 1.00 0.00 C ATOM 890 CG PRO A 49 -2.047 -3.763 -14.068 1.00 0.00 C ATOM 891 CD PRO A 49 -1.997 -2.759 -15.248 1.00 0.00 C ATOM 0 HA PRO A 49 0.420 -4.790 -16.076 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.122 -5.749 -13.973 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.021 -4.434 -13.786 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.002 -4.288 -14.038 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.933 -3.253 -13.112 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.998 -2.482 -15.580 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.488 -1.837 -14.967 1.00 0.00 H new ATOM 899 N LYS A 50 -0.503 -6.550 -17.398 1.00 0.00 N ATOM 900 CA LYS A 50 -0.969 -7.733 -18.173 1.00 0.00 C ATOM 901 C LYS A 50 -1.519 -8.845 -17.237 1.00 0.00 C ATOM 902 O LYS A 50 -2.216 -9.729 -17.689 1.00 0.00 O ATOM 903 CB LYS A 50 0.236 -8.254 -18.960 1.00 0.00 C ATOM 904 CG LYS A 50 -0.091 -9.581 -19.659 1.00 0.00 C ATOM 905 CD LYS A 50 0.641 -10.719 -18.936 1.00 0.00 C ATOM 906 CE LYS A 50 1.065 -11.783 -19.951 1.00 0.00 C ATOM 907 NZ LYS A 50 1.979 -12.761 -19.293 1.00 0.00 N ATOM 0 H LYS A 50 0.459 -6.276 -17.598 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.784 -7.447 -18.838 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.538 -7.514 -19.701 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.081 -8.393 -18.286 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.167 -9.758 -19.647 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.214 -9.541 -20.705 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.516 -10.329 -18.415 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.009 -11.161 -18.181 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.187 -12.296 -20.344 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.566 -11.314 -20.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.268 -13.484 -19.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.821 -12.265 -18.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.486 -13.217 -18.499 1.00 0.00 H new ATOM 921 N ASN A 51 -1.204 -8.823 -15.959 1.00 0.00 N ATOM 922 CA ASN A 51 -1.714 -9.857 -15.048 1.00 0.00 C ATOM 923 C ASN A 51 -3.238 -9.746 -14.947 1.00 0.00 C ATOM 924 O ASN A 51 -3.940 -10.723 -14.771 1.00 0.00 O ATOM 925 CB ASN A 51 -1.078 -9.658 -13.712 1.00 0.00 C ATOM 926 CG ASN A 51 0.220 -10.462 -13.621 1.00 0.00 C ATOM 927 OD1 ASN A 51 1.278 -9.971 -13.957 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.181 -11.689 -13.177 1.00 0.00 N ATOM 0 H ASN A 51 -0.609 -8.119 -15.522 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.471 -10.852 -15.421 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.871 -8.600 -13.554 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.764 -9.970 -12.924 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.040 -12.235 -13.112 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.708 -12.101 -12.895 1.00 0.00 H new ATOM 935 N TYR A 52 -3.741 -8.559 -15.108 1.00 0.00 N ATOM 936 CA TYR A 52 -5.206 -8.316 -15.091 1.00 0.00 C ATOM 937 C TYR A 52 -5.692 -8.287 -16.507 1.00 0.00 C ATOM 938 O TYR A 52 -6.678 -7.629 -16.814 1.00 0.00 O ATOM 939 CB TYR A 52 -5.460 -6.920 -14.529 1.00 0.00 C ATOM 940 CG TYR A 52 -5.405 -6.892 -13.080 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.206 -6.635 -12.430 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.565 -7.061 -12.377 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.188 -6.549 -11.061 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.553 -6.988 -11.012 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.370 -6.729 -10.342 1.00 0.00 C ATOM 946 OH TYR A 52 -5.374 -6.633 -8.985 1.00 0.00 O ATOM 0 H TYR A 52 -3.179 -7.721 -15.255 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.702 -9.087 -14.502 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.720 -6.228 -14.932 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.438 -6.570 -14.860 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.296 -6.504 -12.997 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.491 -7.252 -12.900 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.263 -6.343 -10.542 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.467 -7.133 -10.456 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.282 -6.785 -8.649 1.00 0.00 H new ATOM 956 N ILE A 53 -4.981 -8.910 -17.409 1.00 0.00 N ATOM 957 CA ILE A 53 -5.376 -8.816 -18.801 1.00 0.00 C ATOM 958 C ILE A 53 -4.920 -10.029 -19.616 1.00 0.00 C ATOM 959 O ILE A 53 -4.122 -10.837 -19.185 1.00 0.00 O ATOM 960 CB ILE A 53 -4.713 -7.585 -19.428 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.635 -6.399 -18.447 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.485 -7.146 -20.648 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.848 -5.268 -19.085 1.00 0.00 C ATOM 0 H ILE A 53 -4.151 -9.472 -17.221 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.464 -8.758 -18.821 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.698 -7.877 -19.697 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.638 -6.059 -18.190 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.157 -6.711 -17.519 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.006 -6.271 -21.086 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.501 -7.955 -21.379 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.506 -6.895 -20.362 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.792 -4.428 -18.393 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.841 -5.613 -19.320 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.346 -4.950 -20.001 1.00 0.00 H new ATOM 975 N GLU A 54 -5.382 -10.086 -20.832 1.00 0.00 N ATOM 976 CA GLU A 54 -4.983 -11.125 -21.769 1.00 0.00 C ATOM 977 C GLU A 54 -4.984 -10.481 -23.153 1.00 0.00 C ATOM 978 O GLU A 54 -5.740 -9.559 -23.412 1.00 0.00 O ATOM 979 CB GLU A 54 -5.935 -12.295 -21.739 1.00 0.00 C ATOM 980 CG GLU A 54 -5.299 -13.473 -20.985 1.00 0.00 C ATOM 981 CD GLU A 54 -5.670 -14.785 -21.680 1.00 0.00 C ATOM 982 OE1 GLU A 54 -5.474 -14.874 -22.881 1.00 0.00 O ATOM 983 OE2 GLU A 54 -6.145 -15.680 -20.999 1.00 0.00 O ATOM 0 H GLU A 54 -6.049 -9.416 -21.214 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.000 -11.516 -21.506 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.867 -12.003 -21.255 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.185 -12.597 -22.756 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.215 -13.358 -20.957 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.645 -13.486 -19.951 1.00 0.00 H new ATOM 990 N MET A 55 -4.133 -10.933 -24.014 1.00 0.00 N ATOM 991 CA MET A 55 -4.018 -10.311 -25.382 1.00 0.00 C ATOM 992 C MET A 55 -5.025 -10.885 -26.374 1.00 0.00 C ATOM 993 O MET A 55 -4.914 -12.021 -26.798 1.00 0.00 O ATOM 994 CB MET A 55 -2.606 -10.549 -25.919 1.00 0.00 C ATOM 995 CG MET A 55 -2.217 -9.405 -26.857 1.00 0.00 C ATOM 996 SD MET A 55 -0.423 -9.404 -27.098 1.00 0.00 S ATOM 997 CE MET A 55 -0.010 -8.304 -25.722 1.00 0.00 C ATOM 0 H MET A 55 -3.499 -11.713 -23.843 1.00 0.00 H new ATOM 0 HA MET A 55 -4.229 -9.247 -25.276 1.00 0.00 H new ATOM 0 HB2 MET A 55 -1.897 -10.613 -25.093 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.563 -11.500 -26.450 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.723 -9.519 -27.816 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.539 -8.452 -26.438 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.070 -8.161 -25.682 1.00 0.00 H new ATOM 0 HE2 MET A 55 -0.498 -7.340 -25.867 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.352 -8.747 -24.787 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.008 -10.095 -26.759 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.002 -10.554 -27.710 1.00 0.00 C ATOM 1009 C LYS A 56 -7.012 -9.677 -28.970 1.00 0.00 C ATOM 1010 O LYS A 56 -6.604 -8.520 -28.932 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.337 -10.497 -27.045 1.00 0.00 C ATOM 1012 CG LYS A 56 -8.590 -11.825 -26.367 1.00 0.00 C ATOM 1013 CD LYS A 56 -9.849 -11.755 -25.489 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.060 -11.333 -26.330 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.228 -11.092 -25.439 1.00 0.00 N ATOM 0 H LYS A 56 -6.140 -9.138 -26.431 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.765 -11.572 -28.019 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.363 -9.688 -26.315 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.117 -10.291 -27.778 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.707 -12.606 -27.118 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.729 -12.097 -25.756 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.036 -12.726 -25.031 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.696 -11.044 -24.677 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.827 -10.429 -26.893 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.299 -12.109 -27.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.048 -10.806 -26.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.455 -11.965 -24.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.998 -10.337 -24.762 1.00 0.00 H new