USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 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 37 TYR OH : rot 22:sc= 0.238 USER MOD Set 1.2: A 50 LYS NZ :NH3+ -105:sc= 1.19 (180deg=0) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -179:sc= -0.0876 (180deg=-0.108) USER MOD Set 2.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.02 (180deg=0.81) USER MOD Single : A 10 LYS NZ :NH3+ 140:sc= -1.04 (180deg=-3.16!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 18 SER OG : rot 180:sc= 0.197 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.7!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0747 X(o=-0.075,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+ -117:sc= -0.0427 (180deg=-1.68!) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -4.467 -3.493 -31.126 1.00 0.00 N ATOM 125 CA MET A 1 -5.190 -4.712 -30.663 1.00 0.00 C ATOM 126 C MET A 1 -5.894 -4.415 -29.365 1.00 0.00 C ATOM 127 O MET A 1 -5.857 -3.300 -28.866 1.00 0.00 O ATOM 128 CB MET A 1 -4.209 -5.863 -30.450 1.00 0.00 C ATOM 129 CG MET A 1 -4.078 -6.655 -31.741 1.00 0.00 C ATOM 130 SD MET A 1 -3.246 -5.649 -32.995 1.00 0.00 S ATOM 131 CE MET A 1 -4.093 -6.340 -34.436 1.00 0.00 C ATOM 0 H1 MET A 1 -3.810 -3.749 -31.890 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.153 -2.795 -31.478 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.933 -3.084 -30.333 1.00 0.00 H new ATOM 0 HA MET A 1 -5.916 -4.999 -31.423 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.236 -5.476 -30.147 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.559 -6.511 -29.646 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.513 -7.570 -31.562 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.064 -6.954 -32.097 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.727 -5.854 -35.341 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.897 -7.411 -34.494 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.166 -6.172 -34.343 1.00 0.00 H new ATOM 141 N GLU A 2 -6.535 -5.402 -28.801 1.00 0.00 N ATOM 142 CA GLU A 2 -7.233 -5.199 -27.551 1.00 0.00 C ATOM 143 C GLU A 2 -6.733 -6.234 -26.572 1.00 0.00 C ATOM 144 O GLU A 2 -5.945 -7.098 -26.911 1.00 0.00 O ATOM 145 CB GLU A 2 -8.734 -5.384 -27.787 1.00 0.00 C ATOM 146 CG GLU A 2 -9.503 -4.166 -27.271 1.00 0.00 C ATOM 147 CD GLU A 2 -10.859 -4.082 -27.974 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.883 -3.677 -29.124 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.849 -4.424 -27.349 1.00 0.00 O ATOM 0 H GLU A 2 -6.592 -6.348 -29.179 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.057 -4.197 -27.159 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.928 -5.522 -28.851 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.081 -6.284 -27.280 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.645 -4.242 -26.193 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.930 -3.257 -27.454 1.00 0.00 H new ATOM 156 N ALA A 3 -7.184 -6.151 -25.379 1.00 0.00 N ATOM 157 CA ALA A 3 -6.766 -7.119 -24.345 1.00 0.00 C ATOM 158 C ALA A 3 -7.809 -7.166 -23.236 1.00 0.00 C ATOM 159 O ALA A 3 -8.074 -6.197 -22.562 1.00 0.00 O ATOM 160 CB ALA A 3 -5.432 -6.713 -23.807 1.00 0.00 C ATOM 0 H ALA A 3 -7.841 -5.439 -25.059 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.682 -8.116 -24.777 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.116 -7.423 -23.043 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.701 -6.702 -24.616 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.504 -5.717 -23.370 1.00 0.00 H new ATOM 166 N ILE A 4 -8.424 -8.293 -23.088 1.00 0.00 N ATOM 167 CA ILE A 4 -9.505 -8.470 -22.081 1.00 0.00 C ATOM 168 C ILE A 4 -9.021 -8.284 -20.662 1.00 0.00 C ATOM 169 O ILE A 4 -8.202 -9.024 -20.168 1.00 0.00 O ATOM 170 CB ILE A 4 -10.086 -9.872 -22.239 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.084 -10.172 -21.098 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.971 -10.911 -22.230 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.337 -10.741 -21.683 1.00 0.00 C ATOM 0 H ILE A 4 -8.220 -9.128 -23.637 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.259 -7.704 -22.261 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.611 -9.920 -23.193 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.646 -10.876 -20.390 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.308 -9.260 -20.544 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.400 -11.906 -22.344 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.285 -10.716 -23.054 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.429 -10.855 -21.286 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.047 -10.956 -20.884 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.775 -10.021 -22.374 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.103 -11.662 -22.218 1.00 0.00 H new ATOM 185 N ALA A 5 -9.609 -7.346 -19.990 1.00 0.00 N ATOM 186 CA ALA A 5 -9.276 -7.134 -18.540 1.00 0.00 C ATOM 187 C ALA A 5 -9.915 -8.286 -17.750 1.00 0.00 C ATOM 188 O ALA A 5 -11.121 -8.356 -17.612 1.00 0.00 O ATOM 189 CB ALA A 5 -9.856 -5.812 -18.044 1.00 0.00 C ATOM 0 H ALA A 5 -10.309 -6.709 -20.371 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.195 -7.107 -18.406 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.604 -5.676 -16.992 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.438 -4.990 -18.626 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.940 -5.824 -18.159 1.00 0.00 H new ATOM 195 N LYS A 6 -9.122 -9.203 -17.265 1.00 0.00 N ATOM 196 CA LYS A 6 -9.675 -10.373 -16.519 1.00 0.00 C ATOM 197 C LYS A 6 -10.259 -9.942 -15.155 1.00 0.00 C ATOM 198 O LYS A 6 -11.110 -10.615 -14.603 1.00 0.00 O ATOM 199 CB LYS A 6 -8.553 -11.378 -16.276 1.00 0.00 C ATOM 200 CG LYS A 6 -7.944 -11.787 -17.608 1.00 0.00 C ATOM 201 CD LYS A 6 -6.625 -12.519 -17.358 1.00 0.00 C ATOM 202 CE LYS A 6 -6.903 -13.997 -17.067 1.00 0.00 C ATOM 203 NZ LYS A 6 -6.922 -14.221 -15.594 1.00 0.00 N ATOM 0 H LYS A 6 -8.106 -9.193 -17.354 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.473 -10.816 -17.114 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.789 -10.939 -15.634 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.941 -12.254 -15.757 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.633 -12.432 -18.153 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.773 -10.907 -18.228 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.975 -12.426 -18.228 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.100 -12.065 -16.518 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.858 -14.290 -17.502 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.137 -14.620 -17.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.094 -15.228 -15.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.006 -13.941 -15.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.679 -13.651 -15.166 1.00 0.00 H new ATOM 217 N TYR A 7 -9.797 -8.840 -14.599 1.00 0.00 N ATOM 218 CA TYR A 7 -10.323 -8.389 -13.252 1.00 0.00 C ATOM 219 C TYR A 7 -10.390 -6.875 -13.192 1.00 0.00 C ATOM 220 O TYR A 7 -10.130 -6.180 -14.155 1.00 0.00 O ATOM 221 CB TYR A 7 -9.395 -8.870 -12.119 1.00 0.00 C ATOM 222 CG TYR A 7 -9.058 -10.327 -12.288 1.00 0.00 C ATOM 223 CD1 TYR A 7 -8.113 -10.702 -13.228 1.00 0.00 C ATOM 224 CD2 TYR A 7 -9.679 -11.297 -11.492 1.00 0.00 C ATOM 225 CE1 TYR A 7 -7.773 -12.045 -13.391 1.00 0.00 C ATOM 226 CE2 TYR A 7 -9.342 -12.648 -11.647 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.386 -13.021 -12.599 1.00 0.00 C ATOM 228 OH TYR A 7 -8.048 -14.350 -12.757 1.00 0.00 O ATOM 0 H TYR A 7 -9.086 -8.236 -15.011 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.318 -8.816 -13.126 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.480 -8.278 -12.116 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.879 -8.713 -11.155 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.636 -9.950 -13.839 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -10.417 -11.004 -10.760 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.037 -12.331 -14.128 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.818 -13.399 -11.034 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.565 -14.896 -12.129 1.00 0.00 H new ATOM 238 N ASP A 8 -10.739 -6.369 -12.045 1.00 0.00 N ATOM 239 CA ASP A 8 -10.837 -4.907 -11.852 1.00 0.00 C ATOM 240 C ASP A 8 -9.444 -4.349 -11.546 1.00 0.00 C ATOM 241 O ASP A 8 -8.518 -5.084 -11.279 1.00 0.00 O ATOM 242 CB ASP A 8 -11.768 -4.643 -10.670 1.00 0.00 C ATOM 243 CG ASP A 8 -13.018 -3.885 -11.128 1.00 0.00 C ATOM 244 OD1 ASP A 8 -12.926 -2.681 -11.300 1.00 0.00 O ATOM 245 OD2 ASP A 8 -14.047 -4.520 -11.286 1.00 0.00 O ATOM 0 H ASP A 8 -10.964 -6.923 -11.219 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.227 -4.426 -12.749 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.057 -5.588 -10.210 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.244 -4.065 -9.909 1.00 0.00 H new ATOM 250 N PHE A 9 -9.303 -3.050 -11.564 1.00 0.00 N ATOM 251 CA PHE A 9 -7.997 -2.413 -11.266 1.00 0.00 C ATOM 252 C PHE A 9 -8.104 -0.909 -11.564 1.00 0.00 C ATOM 253 O PHE A 9 -9.106 -0.437 -12.069 1.00 0.00 O ATOM 254 CB PHE A 9 -6.873 -3.027 -12.154 1.00 0.00 C ATOM 255 CG PHE A 9 -5.659 -3.452 -11.318 1.00 0.00 C ATOM 256 CD1 PHE A 9 -5.384 -2.856 -10.073 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.805 -4.439 -11.814 1.00 0.00 C ATOM 258 CE1 PHE A 9 -4.262 -3.251 -9.336 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.682 -4.836 -11.075 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.411 -4.242 -9.837 1.00 0.00 C ATOM 0 H PHE A 9 -10.056 -2.395 -11.777 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.748 -2.582 -10.218 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.265 -3.890 -12.692 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.562 -2.299 -12.903 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.041 -2.091 -9.685 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.010 -4.898 -12.770 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.053 -2.791 -8.381 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.025 -5.601 -11.461 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.545 -4.549 -9.269 1.00 0.00 H new ATOM 270 N LYS A 10 -7.074 -0.160 -11.265 1.00 0.00 N ATOM 271 CA LYS A 10 -7.100 1.304 -11.540 1.00 0.00 C ATOM 272 C LYS A 10 -5.696 1.794 -11.835 1.00 0.00 C ATOM 273 O LYS A 10 -4.730 1.062 -11.698 1.00 0.00 O ATOM 274 CB LYS A 10 -7.715 2.044 -10.332 1.00 0.00 C ATOM 275 CG LYS A 10 -6.737 2.079 -9.146 1.00 0.00 C ATOM 276 CD LYS A 10 -7.386 2.818 -7.974 1.00 0.00 C ATOM 277 CE LYS A 10 -7.133 4.324 -8.112 1.00 0.00 C ATOM 278 NZ LYS A 10 -8.078 4.909 -9.112 1.00 0.00 N ATOM 0 H LYS A 10 -6.213 -0.503 -10.840 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.718 1.508 -12.415 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.978 3.062 -10.621 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.639 1.550 -10.031 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.472 1.064 -8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.812 2.577 -9.437 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.458 2.619 -7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.977 2.455 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.263 4.813 -7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.104 4.502 -8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.411 5.835 -8.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.590 5.027 -10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.891 4.273 -9.235 1.00 0.00 H new ATOM 292 N ALA A 11 -5.579 3.024 -12.247 1.00 0.00 N ATOM 293 CA ALA A 11 -4.247 3.564 -12.560 1.00 0.00 C ATOM 294 C ALA A 11 -3.602 4.051 -11.264 1.00 0.00 C ATOM 295 O ALA A 11 -4.211 4.781 -10.501 1.00 0.00 O ATOM 296 CB ALA A 11 -4.362 4.724 -13.537 1.00 0.00 C ATOM 0 H ALA A 11 -6.355 3.673 -12.378 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.637 2.785 -13.017 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.368 5.113 -13.759 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.830 4.378 -14.459 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.970 5.513 -13.095 1.00 0.00 H new ATOM 302 N THR A 12 -2.385 3.658 -11.004 1.00 0.00 N ATOM 303 CA THR A 12 -1.709 4.105 -9.745 1.00 0.00 C ATOM 304 C THR A 12 -0.589 5.079 -10.090 1.00 0.00 C ATOM 305 O THR A 12 -0.526 6.175 -9.563 1.00 0.00 O ATOM 306 CB THR A 12 -1.130 2.894 -9.009 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.496 2.031 -9.944 1.00 0.00 O ATOM 308 CG2 THR A 12 -2.257 2.142 -8.296 1.00 0.00 C ATOM 0 H THR A 12 -1.828 3.049 -11.604 1.00 0.00 H new ATOM 0 HA THR A 12 -2.436 4.600 -9.101 1.00 0.00 H new ATOM 0 HB THR A 12 -0.399 3.230 -8.273 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.124 1.256 -9.474 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.844 1.280 -7.772 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.740 2.805 -7.579 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.990 1.805 -9.029 1.00 0.00 H new ATOM 316 N ALA A 13 0.291 4.694 -10.979 1.00 0.00 N ATOM 317 CA ALA A 13 1.405 5.601 -11.373 1.00 0.00 C ATOM 318 C ALA A 13 0.850 6.753 -12.167 1.00 0.00 C ATOM 319 O ALA A 13 -0.274 6.728 -12.636 1.00 0.00 O ATOM 320 CB ALA A 13 2.419 4.847 -12.230 1.00 0.00 C ATOM 0 H ALA A 13 0.284 3.788 -11.448 1.00 0.00 H new ATOM 0 HA ALA A 13 1.899 5.969 -10.474 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.229 5.520 -12.512 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.824 4.010 -11.662 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.929 4.472 -13.129 1.00 0.00 H new ATOM 326 N ASP A 14 1.638 7.760 -12.317 1.00 0.00 N ATOM 327 CA ASP A 14 1.213 8.949 -13.075 1.00 0.00 C ATOM 328 C ASP A 14 0.954 8.578 -14.541 1.00 0.00 C ATOM 329 O ASP A 14 0.308 9.313 -15.266 1.00 0.00 O ATOM 330 CB ASP A 14 2.324 9.960 -12.978 1.00 0.00 C ATOM 331 CG ASP A 14 1.764 11.370 -13.173 1.00 0.00 C ATOM 332 OD1 ASP A 14 1.623 11.778 -14.314 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.485 12.018 -12.177 1.00 0.00 O ATOM 0 H ASP A 14 2.583 7.812 -11.937 1.00 0.00 H new ATOM 0 HA ASP A 14 0.287 9.356 -12.669 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.812 9.884 -12.006 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.083 9.753 -13.733 1.00 0.00 H new ATOM 338 N ASP A 15 1.451 7.440 -14.982 1.00 0.00 N ATOM 339 CA ASP A 15 1.241 7.019 -16.369 1.00 0.00 C ATOM 340 C ASP A 15 0.620 5.620 -16.393 1.00 0.00 C ATOM 341 O ASP A 15 0.899 4.828 -17.275 1.00 0.00 O ATOM 342 CB ASP A 15 2.583 6.999 -17.102 1.00 0.00 C ATOM 343 CG ASP A 15 2.347 7.126 -18.607 1.00 0.00 C ATOM 344 OD1 ASP A 15 2.049 6.118 -19.227 1.00 0.00 O ATOM 345 OD2 ASP A 15 2.469 8.228 -19.115 1.00 0.00 O ATOM 0 H ASP A 15 1.997 6.791 -14.415 1.00 0.00 H new ATOM 0 HA ASP A 15 0.568 7.719 -16.864 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.212 7.817 -16.752 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.114 6.073 -16.884 1.00 0.00 H new ATOM 350 N GLU A 16 -0.227 5.309 -15.433 1.00 0.00 N ATOM 351 CA GLU A 16 -0.865 3.966 -15.409 1.00 0.00 C ATOM 352 C GLU A 16 -2.274 4.073 -15.991 1.00 0.00 C ATOM 353 O GLU A 16 -2.767 5.159 -16.237 1.00 0.00 O ATOM 354 CB GLU A 16 -0.930 3.455 -13.970 1.00 0.00 C ATOM 355 CG GLU A 16 -1.134 1.942 -13.984 1.00 0.00 C ATOM 356 CD GLU A 16 -0.406 1.309 -12.798 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.640 1.818 -12.429 1.00 0.00 O ATOM 358 OE2 GLU A 16 -0.906 0.325 -12.278 1.00 0.00 O ATOM 0 H GLU A 16 -0.497 5.931 -14.672 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.279 3.267 -16.005 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.011 3.705 -13.441 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.747 3.939 -13.436 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.198 1.709 -13.936 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.758 1.524 -14.918 1.00 0.00 H new ATOM 365 N LEU A 17 -2.921 2.957 -16.230 1.00 0.00 N ATOM 366 CA LEU A 17 -4.291 3.001 -16.816 1.00 0.00 C ATOM 367 C LEU A 17 -5.282 2.274 -15.904 1.00 0.00 C ATOM 368 O LEU A 17 -4.947 1.311 -15.240 1.00 0.00 O ATOM 369 CB LEU A 17 -4.251 2.348 -18.205 1.00 0.00 C ATOM 370 CG LEU A 17 -5.630 2.403 -18.868 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.057 3.864 -19.063 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.559 1.700 -20.234 1.00 0.00 C ATOM 0 H LEU A 17 -2.558 2.022 -16.044 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.622 4.035 -16.910 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.520 2.859 -18.832 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.926 1.311 -18.116 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.360 1.902 -18.232 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.039 3.896 -19.535 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.104 4.362 -18.094 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.332 4.373 -19.698 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.538 1.735 -20.713 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.828 2.205 -20.866 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.261 0.661 -20.093 1.00 0.00 H new ATOM 384 N SER A 18 -6.503 2.756 -15.857 1.00 0.00 N ATOM 385 CA SER A 18 -7.529 2.143 -14.988 1.00 0.00 C ATOM 386 C SER A 18 -8.490 1.283 -15.812 1.00 0.00 C ATOM 387 O SER A 18 -8.628 1.464 -17.008 1.00 0.00 O ATOM 388 CB SER A 18 -8.307 3.247 -14.323 1.00 0.00 C ATOM 389 OG SER A 18 -7.459 4.366 -14.092 1.00 0.00 O ATOM 0 H SER A 18 -6.825 3.560 -16.396 1.00 0.00 H new ATOM 0 HA SER A 18 -7.042 1.509 -14.247 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.148 3.541 -14.951 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.722 2.894 -13.379 1.00 0.00 H new ATOM 0 HG SER A 18 -7.972 5.081 -13.661 1.00 0.00 H new ATOM 395 N PHE A 19 -9.170 0.361 -15.169 1.00 0.00 N ATOM 396 CA PHE A 19 -10.145 -0.504 -15.897 1.00 0.00 C ATOM 397 C PHE A 19 -10.841 -1.448 -14.903 1.00 0.00 C ATOM 398 O PHE A 19 -10.372 -1.662 -13.802 1.00 0.00 O ATOM 399 CB PHE A 19 -9.419 -1.320 -16.981 1.00 0.00 C ATOM 400 CG PHE A 19 -8.397 -2.241 -16.354 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.813 -3.446 -15.783 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.043 -1.891 -16.349 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.872 -4.306 -15.203 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.101 -2.750 -15.770 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.516 -3.958 -15.197 1.00 0.00 C ATOM 0 H PHE A 19 -9.089 0.173 -14.170 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.894 0.126 -16.376 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.142 -1.904 -17.551 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.928 -0.647 -17.684 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.859 -3.714 -15.789 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.724 -0.959 -16.791 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.192 -5.238 -14.760 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.055 -2.481 -15.765 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.790 -4.621 -14.750 1.00 0.00 H new ATOM 415 N LYS A 20 -11.956 -2.001 -15.291 1.00 0.00 N ATOM 416 CA LYS A 20 -12.702 -2.923 -14.390 1.00 0.00 C ATOM 417 C LYS A 20 -12.663 -4.343 -14.941 1.00 0.00 C ATOM 418 O LYS A 20 -12.061 -4.615 -15.962 1.00 0.00 O ATOM 419 CB LYS A 20 -14.157 -2.468 -14.301 1.00 0.00 C ATOM 420 CG LYS A 20 -14.216 -0.993 -13.889 1.00 0.00 C ATOM 421 CD LYS A 20 -14.675 -0.872 -12.427 1.00 0.00 C ATOM 422 CE LYS A 20 -15.672 0.283 -12.292 1.00 0.00 C ATOM 423 NZ LYS A 20 -16.570 0.030 -11.130 1.00 0.00 N ATOM 0 H LYS A 20 -12.387 -1.852 -16.204 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.239 -2.907 -13.403 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.650 -2.606 -15.263 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.695 -3.079 -13.576 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.235 -0.534 -14.010 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.903 -0.452 -14.540 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.138 -1.804 -12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.815 -0.701 -11.779 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.139 1.224 -12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.259 0.379 -13.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.247 0.814 -11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.088 -0.859 -11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.002 -0.041 -10.262 1.00 0.00 H new ATOM 437 N ARG A 21 -13.311 -5.244 -14.260 1.00 0.00 N ATOM 438 CA ARG A 21 -13.349 -6.660 -14.702 1.00 0.00 C ATOM 439 C ARG A 21 -14.243 -6.790 -15.937 1.00 0.00 C ATOM 440 O ARG A 21 -15.456 -6.812 -15.836 1.00 0.00 O ATOM 441 CB ARG A 21 -13.923 -7.486 -13.570 1.00 0.00 C ATOM 442 CG ARG A 21 -13.732 -8.967 -13.846 1.00 0.00 C ATOM 443 CD ARG A 21 -13.739 -9.697 -12.513 1.00 0.00 C ATOM 444 NE ARG A 21 -14.044 -11.142 -12.728 1.00 0.00 N ATOM 445 CZ ARG A 21 -14.016 -11.975 -11.720 1.00 0.00 C ATOM 446 NH1 ARG A 21 -13.080 -11.878 -10.816 1.00 0.00 N ATOM 447 NH2 ARG A 21 -14.925 -12.905 -11.616 1.00 0.00 N ATOM 0 H ARG A 21 -13.825 -5.053 -13.400 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.347 -7.006 -14.957 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.435 -7.218 -12.633 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.984 -7.265 -13.452 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.528 -9.341 -14.489 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.792 -9.139 -14.370 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.771 -9.589 -12.024 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.482 -9.254 -11.850 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.275 -11.480 -13.662 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.368 -11.152 -10.895 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.060 -12.529 -10.031 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.658 -12.983 -12.321 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.903 -13.554 -10.830 1.00 0.00 H new ATOM 461 N GLY A 22 -13.650 -6.871 -17.099 1.00 0.00 N ATOM 462 CA GLY A 22 -14.454 -6.994 -18.354 1.00 0.00 C ATOM 463 C GLY A 22 -14.231 -5.761 -19.249 1.00 0.00 C ATOM 464 O GLY A 22 -14.790 -5.664 -20.327 1.00 0.00 O ATOM 0 H GLY A 22 -12.639 -6.857 -17.235 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.169 -7.899 -18.891 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.512 -7.089 -18.109 1.00 0.00 H new ATOM 468 N ASP A 23 -13.416 -4.820 -18.812 1.00 0.00 N ATOM 469 CA ASP A 23 -13.154 -3.636 -19.594 1.00 0.00 C ATOM 470 C ASP A 23 -11.969 -3.910 -20.494 1.00 0.00 C ATOM 471 O ASP A 23 -10.834 -3.702 -20.107 1.00 0.00 O ATOM 472 CB ASP A 23 -12.811 -2.511 -18.642 1.00 0.00 C ATOM 473 CG ASP A 23 -14.048 -1.648 -18.384 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.710 -1.294 -19.346 1.00 0.00 O ATOM 475 OD2 ASP A 23 -14.313 -1.356 -17.229 1.00 0.00 O ATOM 0 H ASP A 23 -12.926 -4.856 -17.918 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.021 -3.366 -20.197 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.440 -2.919 -17.702 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.012 -1.900 -19.061 1.00 0.00 H new ATOM 480 N ILE A 24 -12.210 -4.382 -21.676 1.00 0.00 N ATOM 481 CA ILE A 24 -11.078 -4.681 -22.589 1.00 0.00 C ATOM 482 C ILE A 24 -10.431 -3.364 -23.018 1.00 0.00 C ATOM 483 O ILE A 24 -11.100 -2.400 -23.337 1.00 0.00 O ATOM 484 CB ILE A 24 -11.555 -5.493 -23.801 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.555 -6.590 -23.317 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.323 -6.142 -24.445 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.770 -7.662 -24.392 1.00 0.00 C ATOM 0 H ILE A 24 -13.138 -4.574 -22.052 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.337 -5.289 -22.070 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.060 -4.856 -24.527 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.175 -7.055 -22.407 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.510 -6.129 -23.064 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.631 -6.727 -25.311 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.626 -5.366 -24.761 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.835 -6.795 -23.721 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.471 -8.411 -24.024 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.173 -7.199 -25.292 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.818 -8.140 -24.625 1.00 0.00 H new ATOM 499 N LEU A 25 -9.128 -3.313 -22.975 1.00 0.00 N ATOM 500 CA LEU A 25 -8.393 -2.057 -23.319 1.00 0.00 C ATOM 501 C LEU A 25 -7.798 -2.156 -24.727 1.00 0.00 C ATOM 502 O LEU A 25 -7.826 -3.203 -25.345 1.00 0.00 O ATOM 503 CB LEU A 25 -7.269 -1.858 -22.291 1.00 0.00 C ATOM 504 CG LEU A 25 -7.843 -1.991 -20.866 1.00 0.00 C ATOM 505 CD1 LEU A 25 -7.810 -3.460 -20.419 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.007 -1.155 -19.898 1.00 0.00 C ATOM 0 H LEU A 25 -8.531 -4.098 -22.713 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.079 -1.211 -23.297 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.483 -2.597 -22.448 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.813 -0.876 -22.420 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.874 -1.637 -20.866 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.217 -3.543 -19.411 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.408 -4.062 -21.103 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.781 -3.819 -20.425 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.413 -1.250 -18.891 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.976 -1.509 -19.908 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.034 -0.109 -20.203 1.00 0.00 H new ATOM 518 N LYS A 26 -7.258 -1.064 -25.239 1.00 0.00 N ATOM 519 CA LYS A 26 -6.658 -1.098 -26.633 1.00 0.00 C ATOM 520 C LYS A 26 -5.131 -1.023 -26.538 1.00 0.00 C ATOM 521 O LYS A 26 -4.574 0.032 -26.331 1.00 0.00 O ATOM 522 CB LYS A 26 -7.174 0.095 -27.440 1.00 0.00 C ATOM 523 CG LYS A 26 -8.677 -0.061 -27.684 1.00 0.00 C ATOM 524 CD LYS A 26 -9.035 0.504 -29.060 1.00 0.00 C ATOM 525 CE LYS A 26 -10.552 0.667 -29.165 1.00 0.00 C ATOM 526 NZ LYS A 26 -10.936 2.030 -28.702 1.00 0.00 N ATOM 0 H LYS A 26 -7.205 -0.163 -24.764 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.946 -2.026 -27.127 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.977 1.023 -26.903 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.646 0.159 -28.391 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.958 -1.113 -27.627 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.238 0.461 -26.908 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.544 1.466 -29.209 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.675 -0.163 -29.844 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.875 0.516 -30.195 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.053 -0.089 -28.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.967 2.143 -28.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.641 2.157 -27.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.468 2.743 -29.297 1.00 0.00 H new ATOM 540 N VAL A 27 -4.448 -2.137 -26.681 1.00 0.00 N ATOM 541 CA VAL A 27 -2.953 -2.117 -26.565 1.00 0.00 C ATOM 542 C VAL A 27 -2.334 -1.240 -27.656 1.00 0.00 C ATOM 543 O VAL A 27 -2.242 -1.625 -28.806 1.00 0.00 O ATOM 544 CB VAL A 27 -2.399 -3.545 -26.658 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.889 -3.529 -26.388 1.00 0.00 C ATOM 546 CG2 VAL A 27 -3.080 -4.424 -25.601 1.00 0.00 C ATOM 0 H VAL A 27 -4.857 -3.052 -26.871 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.689 -1.694 -25.596 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.592 -3.941 -27.655 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.497 -4.544 -26.454 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.394 -2.900 -27.127 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.702 -3.132 -25.390 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.688 -5.439 -25.665 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.881 -4.020 -24.608 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.155 -4.438 -25.778 1.00 0.00 H new ATOM 556 N LEU A 28 -1.883 -0.067 -27.279 1.00 0.00 N ATOM 557 CA LEU A 28 -1.237 0.850 -28.252 1.00 0.00 C ATOM 558 C LEU A 28 0.233 0.463 -28.363 1.00 0.00 C ATOM 559 O LEU A 28 0.859 0.662 -29.389 1.00 0.00 O ATOM 560 CB LEU A 28 -1.302 2.337 -27.784 1.00 0.00 C ATOM 561 CG LEU A 28 -2.535 2.624 -26.885 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.062 3.007 -25.465 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.350 3.790 -27.482 1.00 0.00 C ATOM 0 H LEU A 28 -1.939 0.292 -26.326 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.763 0.762 -29.203 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.392 2.582 -27.236 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.334 2.988 -28.657 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.159 1.731 -26.834 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.928 3.208 -24.835 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.487 2.185 -25.039 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.437 3.898 -25.518 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.215 3.990 -26.850 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.725 4.681 -27.535 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.687 3.523 -28.484 1.00 0.00 H new ATOM 575 N ASN A 29 0.804 -0.078 -27.299 1.00 0.00 N ATOM 576 CA ASN A 29 2.253 -0.455 -27.355 1.00 0.00 C ATOM 577 C ASN A 29 2.597 -1.451 -26.245 1.00 0.00 C ATOM 578 O ASN A 29 1.742 -1.893 -25.499 1.00 0.00 O ATOM 579 CB ASN A 29 3.110 0.810 -27.191 1.00 0.00 C ATOM 580 CG ASN A 29 4.304 0.760 -28.153 1.00 0.00 C ATOM 581 OD1 ASN A 29 4.643 -0.286 -28.672 1.00 0.00 O ATOM 582 ND2 ASN A 29 4.961 1.857 -28.414 1.00 0.00 N ATOM 0 H ASN A 29 0.334 -0.269 -26.414 1.00 0.00 H new ATOM 0 HA ASN A 29 2.457 -0.924 -28.317 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.508 1.696 -27.391 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.463 0.890 -26.163 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.757 1.835 -29.052 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.679 2.736 -27.980 1.00 0.00 H new ATOM 673 N TRP A 36 3.663 -6.003 -18.172 1.00 0.00 N ATOM 674 CA TRP A 36 2.550 -4.990 -18.243 1.00 0.00 C ATOM 675 C TRP A 36 2.513 -4.391 -19.656 1.00 0.00 C ATOM 676 O TRP A 36 3.530 -4.030 -20.219 1.00 0.00 O ATOM 677 CB TRP A 36 2.739 -3.849 -17.225 1.00 0.00 C ATOM 678 CG TRP A 36 2.960 -4.373 -15.819 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.916 -5.268 -15.452 1.00 0.00 C ATOM 680 CD2 TRP A 36 2.255 -4.010 -14.576 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.832 -5.480 -14.088 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.841 -4.731 -13.506 1.00 0.00 C ATOM 683 CE3 TRP A 36 1.177 -3.141 -14.269 1.00 0.00 C ATOM 684 CZ2 TRP A 36 2.393 -4.597 -12.192 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.730 -3.009 -12.935 1.00 0.00 C ATOM 686 CH2 TRP A 36 1.341 -3.733 -11.904 1.00 0.00 C ATOM 0 HA TRP A 36 1.617 -5.501 -18.006 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.590 -3.236 -17.521 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.861 -3.203 -17.237 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.625 -5.737 -16.118 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.437 -6.120 -13.574 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.697 -2.579 -15.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.861 -5.162 -11.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.090 -2.344 -12.709 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.996 -3.621 -10.887 1.00 0.00 H new ATOM 697 N TYR A 37 1.344 -4.293 -20.227 1.00 0.00 N ATOM 698 CA TYR A 37 1.199 -3.729 -21.605 1.00 0.00 C ATOM 699 C TYR A 37 0.962 -2.220 -21.543 1.00 0.00 C ATOM 700 O TYR A 37 0.895 -1.631 -20.499 1.00 0.00 O ATOM 701 CB TYR A 37 -0.051 -4.323 -22.272 1.00 0.00 C ATOM 702 CG TYR A 37 0.092 -5.803 -22.560 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.302 -6.336 -23.021 1.00 0.00 C ATOM 704 CD2 TYR A 37 -1.022 -6.637 -22.395 1.00 0.00 C ATOM 705 CE1 TYR A 37 1.396 -7.702 -23.317 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.929 -7.999 -22.682 1.00 0.00 C ATOM 707 CZ TYR A 37 0.280 -8.535 -23.147 1.00 0.00 C ATOM 708 OH TYR A 37 0.370 -9.879 -23.446 1.00 0.00 O ATOM 0 H TYR A 37 0.468 -4.584 -19.793 1.00 0.00 H new ATOM 0 HA TYR A 37 2.110 -3.962 -22.156 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.914 -4.164 -21.625 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.248 -3.792 -23.203 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.162 -5.695 -23.148 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.956 -6.224 -22.044 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.328 -8.114 -23.676 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.788 -8.640 -22.546 1.00 0.00 H new ATOM 0 HH TYR A 37 1.309 -10.158 -23.420 1.00 0.00 H new ATOM 718 N LYS A 38 0.761 -1.628 -22.684 1.00 0.00 N ATOM 719 CA LYS A 38 0.432 -0.188 -22.772 1.00 0.00 C ATOM 720 C LYS A 38 -0.856 -0.139 -23.584 1.00 0.00 C ATOM 721 O LYS A 38 -0.926 -0.735 -24.642 1.00 0.00 O ATOM 722 CB LYS A 38 1.538 0.567 -23.504 1.00 0.00 C ATOM 723 CG LYS A 38 1.301 2.069 -23.353 1.00 0.00 C ATOM 724 CD LYS A 38 1.489 2.771 -24.706 1.00 0.00 C ATOM 725 CE LYS A 38 2.510 3.896 -24.558 1.00 0.00 C ATOM 726 NZ LYS A 38 2.465 4.774 -25.761 1.00 0.00 N ATOM 0 H LYS A 38 0.814 -2.102 -23.586 1.00 0.00 H new ATOM 0 HA LYS A 38 0.327 0.272 -21.789 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.512 0.297 -23.096 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.547 0.292 -24.559 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.294 2.250 -22.977 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.994 2.483 -22.620 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.827 2.055 -25.455 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.538 3.172 -25.055 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.297 4.479 -23.662 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.510 3.479 -24.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.161 5.540 -25.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.689 4.214 -26.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.513 5.182 -25.857 1.00 0.00 H new ATOM 740 N ALA A 39 -1.894 0.494 -23.093 1.00 0.00 N ATOM 741 CA ALA A 39 -3.184 0.481 -23.858 1.00 0.00 C ATOM 742 C ALA A 39 -4.030 1.663 -23.557 1.00 0.00 C ATOM 743 O ALA A 39 -3.604 2.599 -22.925 1.00 0.00 O ATOM 744 CB ALA A 39 -3.920 -0.798 -23.520 1.00 0.00 C ATOM 0 H ALA A 39 -1.908 1.010 -22.213 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.961 0.526 -24.924 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.863 -0.830 -24.066 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.308 -1.655 -23.802 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.119 -0.831 -22.449 1.00 0.00 H new ATOM 750 N GLU A 40 -5.228 1.659 -24.079 1.00 0.00 N ATOM 751 CA GLU A 40 -6.087 2.818 -23.897 1.00 0.00 C ATOM 752 C GLU A 40 -7.568 2.448 -23.922 1.00 0.00 C ATOM 753 O GLU A 40 -8.060 1.765 -24.796 1.00 0.00 O ATOM 754 CB GLU A 40 -5.699 3.833 -24.986 1.00 0.00 C ATOM 755 CG GLU A 40 -6.835 4.107 -25.998 1.00 0.00 C ATOM 756 CD GLU A 40 -6.421 5.238 -26.942 1.00 0.00 C ATOM 757 OE1 GLU A 40 -5.765 6.158 -26.480 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.767 5.166 -28.110 1.00 0.00 O ATOM 0 H GLU A 40 -5.631 0.894 -24.620 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.939 3.259 -22.911 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.410 4.771 -24.512 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.825 3.464 -25.522 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.052 3.204 -26.569 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.749 4.377 -25.469 1.00 0.00 H new ATOM 765 N LEU A 41 -8.253 2.951 -22.971 1.00 0.00 N ATOM 766 CA LEU A 41 -9.718 2.713 -22.860 1.00 0.00 C ATOM 767 C LEU A 41 -10.498 3.872 -23.374 1.00 0.00 C ATOM 768 O LEU A 41 -10.770 4.837 -22.690 1.00 0.00 O ATOM 769 CB LEU A 41 -10.112 2.432 -21.427 1.00 0.00 C ATOM 770 CG LEU A 41 -10.031 0.950 -21.206 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.889 0.665 -19.710 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.310 0.312 -21.746 1.00 0.00 C ATOM 0 H LEU A 41 -7.862 3.538 -22.234 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.950 1.841 -23.471 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.449 2.957 -20.739 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.122 2.792 -21.232 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.166 0.534 -21.723 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.830 -0.411 -19.549 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.982 1.138 -19.334 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.754 1.065 -19.180 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.270 -0.767 -21.595 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.172 0.721 -21.218 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.402 0.526 -22.811 1.00 0.00 H new ATOM 784 N ASN A 42 -10.905 3.735 -24.578 1.00 0.00 N ATOM 785 CA ASN A 42 -11.748 4.761 -25.251 1.00 0.00 C ATOM 786 C ASN A 42 -11.304 6.221 -24.975 1.00 0.00 C ATOM 787 O ASN A 42 -12.102 7.136 -25.101 1.00 0.00 O ATOM 788 CB ASN A 42 -13.163 4.598 -24.750 1.00 0.00 C ATOM 789 CG ASN A 42 -13.927 3.622 -25.647 1.00 0.00 C ATOM 790 OD1 ASN A 42 -14.198 3.919 -26.794 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.289 2.462 -25.171 1.00 0.00 N ATOM 0 H ASN A 42 -10.687 2.926 -25.160 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.654 4.600 -26.325 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.154 4.231 -23.724 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.667 5.564 -24.738 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.799 1.805 -25.761 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.062 2.212 -24.208 1.00 0.00 H new ATOM 798 N GLY A 43 -10.078 6.451 -24.612 1.00 0.00 N ATOM 799 CA GLY A 43 -9.633 7.858 -24.342 1.00 0.00 C ATOM 800 C GLY A 43 -8.493 7.872 -23.326 1.00 0.00 C ATOM 801 O GLY A 43 -7.551 8.636 -23.459 1.00 0.00 O ATOM 0 H GLY A 43 -9.361 5.736 -24.489 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.307 8.327 -25.270 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.471 8.445 -23.966 1.00 0.00 H new ATOM 805 N LYS A 44 -8.551 7.025 -22.322 1.00 0.00 N ATOM 806 CA LYS A 44 -7.478 6.980 -21.334 1.00 0.00 C ATOM 807 C LYS A 44 -6.459 6.007 -21.813 1.00 0.00 C ATOM 808 O LYS A 44 -6.654 5.333 -22.802 1.00 0.00 O ATOM 809 CB LYS A 44 -8.007 6.529 -19.983 1.00 0.00 C ATOM 810 CG LYS A 44 -8.443 7.752 -19.191 1.00 0.00 C ATOM 811 CD LYS A 44 -9.580 7.373 -18.237 1.00 0.00 C ATOM 812 CE LYS A 44 -10.821 6.968 -19.044 1.00 0.00 C ATOM 813 NZ LYS A 44 -11.865 8.024 -18.916 1.00 0.00 N ATOM 0 H LYS A 44 -9.313 6.366 -22.163 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.047 7.974 -21.215 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.847 5.847 -20.116 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.236 5.983 -19.439 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.600 8.151 -18.627 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.773 8.538 -19.870 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.268 6.550 -17.594 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.817 8.214 -17.586 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.556 6.829 -20.092 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.207 6.015 -18.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.706 7.749 -19.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.125 8.136 -17.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.494 8.925 -19.280 1.00 0.00 H new ATOM 827 N ASP A 45 -5.369 5.938 -21.138 1.00 0.00 N ATOM 828 CA ASP A 45 -4.305 5.021 -21.550 1.00 0.00 C ATOM 829 C ASP A 45 -3.207 4.877 -20.469 1.00 0.00 C ATOM 830 O ASP A 45 -3.237 5.517 -19.436 1.00 0.00 O ATOM 831 CB ASP A 45 -3.733 5.561 -22.879 1.00 0.00 C ATOM 832 CG ASP A 45 -2.506 6.483 -22.669 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.707 7.625 -22.290 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.399 6.022 -22.892 1.00 0.00 O ATOM 0 H ASP A 45 -5.167 6.488 -20.303 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.706 4.017 -21.686 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.448 4.723 -23.515 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.511 6.112 -23.408 1.00 0.00 H new ATOM 839 N GLY A 46 -2.221 4.054 -20.750 1.00 0.00 N ATOM 840 CA GLY A 46 -1.088 3.869 -19.803 1.00 0.00 C ATOM 841 C GLY A 46 -0.788 2.385 -19.564 1.00 0.00 C ATOM 842 O GLY A 46 -1.393 1.509 -20.141 1.00 0.00 O ATOM 0 H GLY A 46 -2.159 3.501 -21.605 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.199 4.361 -20.198 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.324 4.350 -18.854 1.00 0.00 H new ATOM 846 N PHE A 47 0.180 2.120 -18.724 1.00 0.00 N ATOM 847 CA PHE A 47 0.595 0.713 -18.434 1.00 0.00 C ATOM 848 C PHE A 47 -0.517 -0.072 -17.734 1.00 0.00 C ATOM 849 O PHE A 47 -1.331 0.484 -17.023 1.00 0.00 O ATOM 850 CB PHE A 47 1.821 0.745 -17.524 1.00 0.00 C ATOM 851 CG PHE A 47 2.949 1.453 -18.232 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.452 0.939 -19.432 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.489 2.625 -17.690 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.496 1.598 -20.091 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.534 3.283 -18.349 1.00 0.00 C ATOM 856 CZ PHE A 47 5.037 2.769 -19.549 1.00 0.00 C ATOM 0 H PHE A 47 0.709 2.831 -18.219 1.00 0.00 H new ATOM 0 HA PHE A 47 0.817 0.219 -19.380 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.583 1.257 -16.592 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.121 -0.270 -17.262 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.035 0.034 -19.849 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.100 3.021 -16.764 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.884 1.203 -21.018 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.952 4.187 -17.931 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.843 3.276 -20.057 1.00 0.00 H new ATOM 866 N ILE A 48 -0.534 -1.381 -17.915 1.00 0.00 N ATOM 867 CA ILE A 48 -1.553 -2.222 -17.252 1.00 0.00 C ATOM 868 C ILE A 48 -0.915 -3.597 -16.992 1.00 0.00 C ATOM 869 O ILE A 48 -0.343 -4.155 -17.889 1.00 0.00 O ATOM 870 CB ILE A 48 -2.779 -2.397 -18.164 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.328 -2.731 -19.599 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.593 -1.108 -18.174 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.552 -2.993 -20.488 1.00 0.00 C ATOM 0 H ILE A 48 0.127 -1.891 -18.501 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.880 -1.755 -16.323 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.391 -3.215 -17.784 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.743 -1.906 -20.006 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.680 -3.608 -19.590 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.462 -1.231 -18.820 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.924 -0.879 -17.161 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.976 -0.291 -18.548 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.223 -3.228 -21.500 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.120 -3.832 -20.087 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.183 -2.105 -20.509 1.00 0.00 H new ATOM 885 N PRO A 49 -1.028 -4.127 -15.787 1.00 0.00 N ATOM 886 CA PRO A 49 -0.450 -5.435 -15.493 1.00 0.00 C ATOM 887 C PRO A 49 -1.202 -6.513 -16.248 1.00 0.00 C ATOM 888 O PRO A 49 -2.362 -6.727 -16.041 1.00 0.00 O ATOM 889 CB PRO A 49 -0.595 -5.594 -13.982 1.00 0.00 C ATOM 890 CG PRO A 49 -1.710 -4.597 -13.555 1.00 0.00 C ATOM 891 CD PRO A 49 -1.736 -3.507 -14.654 1.00 0.00 C ATOM 0 HA PRO A 49 0.592 -5.520 -15.800 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.865 -6.617 -13.721 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.343 -5.372 -13.474 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.675 -5.098 -13.477 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.496 -4.164 -12.578 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.757 -3.235 -14.922 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.239 -2.595 -14.324 1.00 0.00 H new ATOM 899 N LYS A 50 -0.529 -7.162 -17.145 1.00 0.00 N ATOM 900 CA LYS A 50 -1.153 -8.239 -17.974 1.00 0.00 C ATOM 901 C LYS A 50 -1.777 -9.350 -17.098 1.00 0.00 C ATOM 902 O LYS A 50 -2.565 -10.132 -17.582 1.00 0.00 O ATOM 903 CB LYS A 50 -0.053 -8.826 -18.825 1.00 0.00 C ATOM 904 CG LYS A 50 -0.569 -9.909 -19.750 1.00 0.00 C ATOM 905 CD LYS A 50 0.648 -10.589 -20.381 1.00 0.00 C ATOM 906 CE LYS A 50 0.345 -12.067 -20.633 1.00 0.00 C ATOM 907 NZ LYS A 50 -0.083 -12.253 -22.048 1.00 0.00 N ATOM 0 H LYS A 50 0.456 -6.992 -17.350 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.958 -7.819 -18.578 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.410 -8.035 -19.415 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.723 -9.239 -18.181 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.169 -10.632 -19.198 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.212 -9.482 -20.520 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.905 -10.096 -21.319 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.511 -10.493 -19.723 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.229 -12.671 -20.427 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.439 -12.409 -19.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.111 -12.404 -22.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.162 -11.405 -22.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.402 -13.080 -22.451 1.00 0.00 H new ATOM 921 N ASN A 51 -1.430 -9.437 -15.829 1.00 0.00 N ATOM 922 CA ASN A 51 -2.006 -10.476 -14.967 1.00 0.00 C ATOM 923 C ASN A 51 -3.511 -10.254 -14.823 1.00 0.00 C ATOM 924 O ASN A 51 -4.278 -11.187 -14.666 1.00 0.00 O ATOM 925 CB ASN A 51 -1.332 -10.408 -13.636 1.00 0.00 C ATOM 926 CG ASN A 51 -0.102 -11.319 -13.621 1.00 0.00 C ATOM 927 OD1 ASN A 51 0.011 -12.195 -12.786 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.831 -11.150 -14.517 1.00 0.00 N ATOM 0 H ASN A 51 -0.764 -8.817 -15.368 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.851 -11.462 -15.404 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.036 -9.381 -13.422 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.027 -10.709 -12.852 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.654 -11.753 -14.516 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.737 -10.415 -15.218 1.00 0.00 H new ATOM 935 N TYR A 52 -3.935 -9.026 -14.925 1.00 0.00 N ATOM 936 CA TYR A 52 -5.378 -8.701 -14.854 1.00 0.00 C ATOM 937 C TYR A 52 -5.865 -8.519 -16.269 1.00 0.00 C ATOM 938 O TYR A 52 -6.754 -7.720 -16.530 1.00 0.00 O ATOM 939 CB TYR A 52 -5.576 -7.363 -14.122 1.00 0.00 C ATOM 940 CG TYR A 52 -5.378 -7.464 -12.668 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.194 -7.958 -12.141 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.372 -6.986 -11.842 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.017 -7.985 -10.771 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.206 -6.997 -10.482 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.024 -7.500 -9.927 1.00 0.00 C ATOM 946 OH TYR A 52 -4.850 -7.513 -8.557 1.00 0.00 O ATOM 0 H TYR A 52 -3.325 -8.219 -15.057 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.914 -9.492 -14.330 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.880 -6.628 -14.527 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.582 -6.993 -14.321 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.416 -8.319 -12.797 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.286 -6.601 -12.269 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.103 -8.380 -10.351 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.987 -6.618 -9.839 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.645 -7.140 -8.123 1.00 0.00 H new ATOM 956 N ILE A 53 -5.257 -9.204 -17.213 1.00 0.00 N ATOM 957 CA ILE A 53 -5.655 -9.016 -18.610 1.00 0.00 C ATOM 958 C ILE A 53 -5.233 -10.203 -19.485 1.00 0.00 C ATOM 959 O ILE A 53 -4.498 -11.080 -19.081 1.00 0.00 O ATOM 960 CB ILE A 53 -4.988 -7.761 -19.212 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.589 -6.736 -18.145 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.941 -7.090 -20.183 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.740 -5.660 -18.789 1.00 0.00 C ATOM 0 H ILE A 53 -4.507 -9.878 -17.058 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.740 -8.917 -18.603 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.083 -8.098 -19.717 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.479 -6.295 -17.695 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.035 -7.224 -17.343 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.466 -6.205 -20.606 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.192 -7.784 -20.985 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.850 -6.798 -19.657 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.451 -4.926 -18.037 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.845 -6.111 -19.218 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.312 -5.168 -19.576 1.00 0.00 H new ATOM 975 N GLU A 54 -5.653 -10.157 -20.717 1.00 0.00 N ATOM 976 CA GLU A 54 -5.284 -11.161 -21.708 1.00 0.00 C ATOM 977 C GLU A 54 -5.245 -10.441 -23.054 1.00 0.00 C ATOM 978 O GLU A 54 -5.835 -9.387 -23.205 1.00 0.00 O ATOM 979 CB GLU A 54 -6.292 -12.293 -21.738 1.00 0.00 C ATOM 980 CG GLU A 54 -5.650 -13.581 -21.209 1.00 0.00 C ATOM 981 CD GLU A 54 -6.461 -14.788 -21.684 1.00 0.00 C ATOM 982 OE1 GLU A 54 -6.355 -15.124 -22.853 1.00 0.00 O ATOM 983 OE2 GLU A 54 -7.173 -15.356 -20.872 1.00 0.00 O ATOM 0 H GLU A 54 -6.264 -9.424 -21.077 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.319 -11.608 -21.468 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.160 -12.034 -21.132 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.649 -12.446 -22.756 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.622 -13.659 -21.562 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.613 -13.560 -20.120 1.00 0.00 H new ATOM 990 N MET A 55 -4.542 -10.969 -24.008 1.00 0.00 N ATOM 991 CA MET A 55 -4.419 -10.261 -25.332 1.00 0.00 C ATOM 992 C MET A 55 -5.372 -10.816 -26.387 1.00 0.00 C ATOM 993 O MET A 55 -5.199 -11.917 -26.877 1.00 0.00 O ATOM 994 CB MET A 55 -2.983 -10.402 -25.840 1.00 0.00 C ATOM 995 CG MET A 55 -2.619 -9.176 -26.683 1.00 0.00 C ATOM 996 SD MET A 55 -1.470 -9.658 -27.999 1.00 0.00 S ATOM 997 CE MET A 55 -2.548 -9.261 -29.397 1.00 0.00 C ATOM 0 H MET A 55 -4.044 -11.857 -23.942 1.00 0.00 H new ATOM 0 HA MET A 55 -4.682 -9.216 -25.169 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.296 -10.496 -24.999 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.884 -11.309 -26.436 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.519 -8.740 -27.115 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.165 -8.411 -26.053 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.031 -9.485 -30.330 1.00 0.00 H new ATOM 0 HE2 MET A 55 -3.459 -9.857 -29.335 1.00 0.00 H new ATOM 0 HE3 MET A 55 -2.804 -8.202 -29.369 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.369 -10.040 -26.763 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.309 -10.472 -27.784 1.00 0.00 C ATOM 1009 C LYS A 56 -7.096 -9.710 -29.095 1.00 0.00 C ATOM 1010 O LYS A 56 -6.555 -8.610 -29.101 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.705 -10.246 -27.284 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.176 -11.494 -26.563 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.704 -11.588 -26.621 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.329 -10.427 -25.847 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.703 -10.162 -26.369 1.00 0.00 N ATOM 0 H LYS A 56 -6.551 -9.112 -26.381 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.147 -11.531 -27.985 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.730 -9.389 -26.611 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.371 -10.017 -28.116 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.732 -12.378 -27.021 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.844 -11.471 -25.525 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.039 -11.567 -27.658 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.035 -12.537 -26.199 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.372 -10.666 -24.784 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.712 -9.534 -25.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.741 -9.206 -26.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.936 -10.861 -27.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.390 -10.235 -25.591 1.00 0.00 H new