USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.111 (180deg=0.0263) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.109) 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 150:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.567 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 K(o=0,f=-1.5) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.274 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0499 X(o=-0.05,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0695 X(o=-0.07,f=-0.33) 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+ -130:sc= -1.32 (180deg=-3.59!) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -4.499 -3.738 -31.397 1.00 0.00 N ATOM 125 CA MET A 1 -5.478 -4.768 -30.955 1.00 0.00 C ATOM 126 C MET A 1 -5.957 -4.440 -29.554 1.00 0.00 C ATOM 127 O MET A 1 -5.730 -3.345 -29.054 1.00 0.00 O ATOM 128 CB MET A 1 -4.847 -6.155 -31.017 1.00 0.00 C ATOM 129 CG MET A 1 -5.116 -6.762 -32.391 1.00 0.00 C ATOM 130 SD MET A 1 -3.759 -6.381 -33.529 1.00 0.00 S ATOM 131 CE MET A 1 -4.689 -6.608 -35.070 1.00 0.00 C ATOM 0 H1 MET A 1 -4.898 -3.198 -32.192 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.294 -3.092 -30.608 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.620 -4.203 -31.701 1.00 0.00 H new ATOM 0 HA MET A 1 -6.339 -4.767 -31.623 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.774 -6.089 -30.838 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.261 -6.792 -30.236 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.231 -7.842 -32.302 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.053 -6.373 -32.790 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.034 -6.420 -35.921 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.065 -7.630 -35.121 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.527 -5.911 -35.095 1.00 0.00 H new ATOM 141 N GLU A 2 -6.662 -5.351 -28.923 1.00 0.00 N ATOM 142 CA GLU A 2 -7.201 -5.084 -27.603 1.00 0.00 C ATOM 143 C GLU A 2 -6.693 -6.141 -26.639 1.00 0.00 C ATOM 144 O GLU A 2 -5.920 -7.010 -27.002 1.00 0.00 O ATOM 145 CB GLU A 2 -8.741 -5.172 -27.713 1.00 0.00 C ATOM 146 CG GLU A 2 -9.381 -3.833 -27.354 1.00 0.00 C ATOM 147 CD GLU A 2 -10.762 -3.739 -28.007 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.911 -4.228 -29.116 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.646 -3.174 -27.387 1.00 0.00 O ATOM 0 H GLU A 2 -6.876 -6.276 -29.295 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.898 -4.102 -27.240 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.023 -5.456 -28.727 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.115 -5.950 -27.048 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.471 -3.739 -26.272 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.749 -3.012 -27.694 1.00 0.00 H new ATOM 156 N ALA A 3 -7.122 -6.058 -25.422 1.00 0.00 N ATOM 157 CA ALA A 3 -6.709 -7.045 -24.392 1.00 0.00 C ATOM 158 C ALA A 3 -7.717 -7.055 -23.234 1.00 0.00 C ATOM 159 O ALA A 3 -7.935 -6.079 -22.556 1.00 0.00 O ATOM 160 CB ALA A 3 -5.344 -6.681 -23.891 1.00 0.00 C ATOM 0 H ALA A 3 -7.756 -5.333 -25.086 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.682 -8.043 -24.830 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.031 -7.400 -23.134 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.636 -6.696 -24.720 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.371 -5.683 -23.455 1.00 0.00 H new ATOM 166 N ILE A 4 -8.334 -8.167 -23.033 1.00 0.00 N ATOM 167 CA ILE A 4 -9.359 -8.310 -21.964 1.00 0.00 C ATOM 168 C ILE A 4 -8.809 -8.006 -20.596 1.00 0.00 C ATOM 169 O ILE A 4 -7.842 -8.577 -20.165 1.00 0.00 O ATOM 170 CB ILE A 4 -9.878 -9.736 -21.969 1.00 0.00 C ATOM 171 CG1 ILE A 4 -10.837 -9.982 -20.765 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.710 -10.718 -21.889 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.076 -10.654 -21.269 1.00 0.00 C ATOM 0 H ILE A 4 -8.172 -9.014 -23.577 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.154 -7.594 -22.173 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.428 -9.892 -22.897 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.349 -10.603 -20.014 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.089 -9.037 -20.283 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.092 -11.739 -21.893 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.053 -10.573 -22.747 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.150 -10.544 -20.970 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.757 -10.833 -20.437 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.563 -10.015 -22.006 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.812 -11.605 -21.732 1.00 0.00 H new ATOM 185 N ALA A 5 -9.484 -7.150 -19.894 1.00 0.00 N ATOM 186 CA ALA A 5 -9.064 -6.849 -18.472 1.00 0.00 C ATOM 187 C ALA A 5 -9.562 -8.002 -17.572 1.00 0.00 C ATOM 188 O ALA A 5 -10.687 -8.032 -17.122 1.00 0.00 O ATOM 189 CB ALA A 5 -9.672 -5.540 -17.985 1.00 0.00 C ATOM 0 H ALA A 5 -10.304 -6.641 -20.224 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.979 -6.756 -18.431 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.353 -5.350 -16.960 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.340 -4.724 -18.626 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.759 -5.609 -18.020 1.00 0.00 H new ATOM 195 N LYS A 6 -8.722 -8.946 -17.345 1.00 0.00 N ATOM 196 CA LYS A 6 -9.065 -10.155 -16.538 1.00 0.00 C ATOM 197 C LYS A 6 -9.805 -9.816 -15.233 1.00 0.00 C ATOM 198 O LYS A 6 -10.624 -10.584 -14.776 1.00 0.00 O ATOM 199 CB LYS A 6 -7.747 -10.866 -16.220 1.00 0.00 C ATOM 200 CG LYS A 6 -7.929 -12.368 -16.201 1.00 0.00 C ATOM 201 CD LYS A 6 -6.687 -13.043 -16.819 1.00 0.00 C ATOM 202 CE LYS A 6 -6.721 -14.552 -16.518 1.00 0.00 C ATOM 203 NZ LYS A 6 -7.911 -15.184 -17.145 1.00 0.00 N ATOM 0 H LYS A 6 -7.764 -8.942 -17.696 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.744 -10.785 -17.113 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.997 -10.597 -16.963 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.373 -10.530 -15.253 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.074 -12.715 -15.178 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.823 -12.644 -16.761 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.667 -12.876 -17.896 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.778 -12.600 -16.411 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.812 -15.024 -16.893 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.743 -14.713 -15.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.822 -16.219 -17.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.770 -14.884 -16.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.975 -14.892 -18.141 1.00 0.00 H new ATOM 217 N TYR A 7 -9.526 -8.697 -14.636 1.00 0.00 N ATOM 218 CA TYR A 7 -10.225 -8.321 -13.365 1.00 0.00 C ATOM 219 C TYR A 7 -10.296 -6.814 -13.270 1.00 0.00 C ATOM 220 O TYR A 7 -9.912 -6.107 -14.179 1.00 0.00 O ATOM 221 CB TYR A 7 -9.449 -8.829 -12.138 1.00 0.00 C ATOM 222 CG TYR A 7 -8.925 -10.228 -12.324 1.00 0.00 C ATOM 223 CD1 TYR A 7 -9.724 -11.332 -12.004 1.00 0.00 C ATOM 224 CD2 TYR A 7 -7.625 -10.417 -12.782 1.00 0.00 C ATOM 225 CE1 TYR A 7 -9.216 -12.629 -12.152 1.00 0.00 C ATOM 226 CE2 TYR A 7 -7.113 -11.709 -12.932 1.00 0.00 C ATOM 227 CZ TYR A 7 -7.909 -12.816 -12.617 1.00 0.00 C ATOM 228 OH TYR A 7 -7.405 -14.084 -12.763 1.00 0.00 O ATOM 0 H TYR A 7 -8.842 -8.018 -14.969 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.219 -8.768 -13.378 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.615 -8.156 -11.936 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.100 -8.802 -11.264 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -10.731 -11.184 -11.643 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.009 -9.563 -13.022 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.831 -13.482 -11.908 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.104 -11.853 -13.291 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.485 -14.034 -13.097 1.00 0.00 H new ATOM 238 N ASP A 8 -10.762 -6.332 -12.160 1.00 0.00 N ATOM 239 CA ASP A 8 -10.859 -4.874 -11.935 1.00 0.00 C ATOM 240 C ASP A 8 -9.476 -4.330 -11.614 1.00 0.00 C ATOM 241 O ASP A 8 -8.533 -5.066 -11.393 1.00 0.00 O ATOM 242 CB ASP A 8 -11.785 -4.641 -10.747 1.00 0.00 C ATOM 243 CG ASP A 8 -12.995 -3.807 -11.157 1.00 0.00 C ATOM 244 OD1 ASP A 8 -13.930 -4.378 -11.685 1.00 0.00 O ATOM 245 OD2 ASP A 8 -12.970 -2.609 -10.921 1.00 0.00 O ATOM 0 H ASP A 8 -11.088 -6.904 -11.380 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.248 -4.372 -12.821 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.117 -5.599 -10.346 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.241 -4.133 -9.951 1.00 0.00 H new ATOM 250 N PHE A 9 -9.370 -3.040 -11.568 1.00 0.00 N ATOM 251 CA PHE A 9 -8.075 -2.375 -11.257 1.00 0.00 C ATOM 252 C PHE A 9 -8.239 -0.858 -11.441 1.00 0.00 C ATOM 253 O PHE A 9 -9.224 -0.376 -11.994 1.00 0.00 O ATOM 254 CB PHE A 9 -6.958 -2.868 -12.222 1.00 0.00 C ATOM 255 CG PHE A 9 -5.705 -3.169 -11.422 1.00 0.00 C ATOM 256 CD1 PHE A 9 -5.771 -4.073 -10.365 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.493 -2.531 -11.719 1.00 0.00 C ATOM 258 CE1 PHE A 9 -4.632 -4.359 -9.604 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.355 -2.815 -10.949 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.428 -3.733 -9.897 1.00 0.00 C ATOM 0 H PHE A 9 -10.144 -2.398 -11.737 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.795 -2.617 -10.232 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.288 -3.761 -12.753 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.749 -2.108 -12.975 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.708 -4.557 -10.131 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.435 -1.826 -12.535 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.690 -5.066 -8.790 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.419 -2.323 -11.170 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.548 -3.955 -9.312 1.00 0.00 H new ATOM 270 N LYS A 10 -7.270 -0.121 -11.013 1.00 0.00 N ATOM 271 CA LYS A 10 -7.312 1.337 -11.191 1.00 0.00 C ATOM 272 C LYS A 10 -5.959 1.797 -11.618 1.00 0.00 C ATOM 273 O LYS A 10 -5.005 1.022 -11.617 1.00 0.00 O ATOM 274 CB LYS A 10 -7.802 2.052 -9.890 1.00 0.00 C ATOM 275 CG LYS A 10 -6.689 2.154 -8.807 1.00 0.00 C ATOM 276 CD LYS A 10 -6.633 3.573 -8.224 1.00 0.00 C ATOM 277 CE LYS A 10 -7.723 3.756 -7.154 1.00 0.00 C ATOM 278 NZ LYS A 10 -8.669 4.832 -7.597 1.00 0.00 N ATOM 0 H LYS A 10 -6.438 -0.474 -10.540 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.034 1.600 -11.965 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.153 3.053 -10.140 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.654 1.509 -9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.881 1.435 -8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.724 1.896 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.651 3.755 -7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.769 4.306 -9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.262 2.821 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.271 4.022 -6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.409 4.961 -6.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.148 5.723 -7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.107 4.559 -8.500 1.00 0.00 H new ATOM 292 N ALA A 11 -5.837 3.019 -11.955 1.00 0.00 N ATOM 293 CA ALA A 11 -4.528 3.489 -12.342 1.00 0.00 C ATOM 294 C ALA A 11 -3.776 3.696 -11.030 1.00 0.00 C ATOM 295 O ALA A 11 -4.187 4.546 -10.265 1.00 0.00 O ATOM 296 CB ALA A 11 -4.593 4.822 -13.033 1.00 0.00 C ATOM 0 H ALA A 11 -6.587 3.710 -11.978 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.061 2.778 -13.024 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.587 5.139 -13.307 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.204 4.737 -13.931 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.035 5.558 -12.362 1.00 0.00 H new ATOM 302 N THR A 12 -2.704 2.994 -10.731 1.00 0.00 N ATOM 303 CA THR A 12 -2.048 3.311 -9.394 1.00 0.00 C ATOM 304 C THR A 12 -0.704 4.095 -9.749 1.00 0.00 C ATOM 305 O THR A 12 -0.259 4.945 -9.023 1.00 0.00 O ATOM 306 CB THR A 12 -1.759 2.010 -8.373 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.534 1.272 -8.108 1.00 0.00 O ATOM 308 CG2 THR A 12 -2.520 0.847 -8.861 1.00 0.00 C ATOM 0 H THR A 12 -2.272 2.265 -11.299 1.00 0.00 H new ATOM 0 HA THR A 12 -2.748 3.901 -8.803 1.00 0.00 H new ATOM 0 HB THR A 12 -1.938 2.620 -7.488 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.550 0.931 -7.189 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.341 -0.006 -8.206 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.584 1.084 -8.865 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.199 0.601 -9.873 1.00 0.00 H new ATOM 316 N ALA A 13 -0.097 3.866 -10.953 1.00 0.00 N ATOM 317 CA ALA A 13 1.109 4.704 -11.317 1.00 0.00 C ATOM 318 C ALA A 13 0.575 6.018 -11.837 1.00 0.00 C ATOM 319 O ALA A 13 -0.600 6.151 -12.125 1.00 0.00 O ATOM 320 CB ALA A 13 2.013 4.071 -12.381 1.00 0.00 C ATOM 0 H ALA A 13 -0.384 3.171 -11.642 1.00 0.00 H new ATOM 0 HA ALA A 13 1.733 4.812 -10.430 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.854 4.734 -12.585 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.386 3.113 -12.018 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.443 3.915 -13.297 1.00 0.00 H new ATOM 326 N ASP A 14 1.413 6.985 -11.965 1.00 0.00 N ATOM 327 CA ASP A 14 0.951 8.303 -12.473 1.00 0.00 C ATOM 328 C ASP A 14 0.669 8.226 -13.976 1.00 0.00 C ATOM 329 O ASP A 14 -0.004 9.078 -14.537 1.00 0.00 O ATOM 330 CB ASP A 14 2.028 9.284 -12.163 1.00 0.00 C ATOM 331 CG ASP A 14 1.415 10.686 -12.000 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.863 11.192 -12.971 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.493 11.221 -10.908 1.00 0.00 O ATOM 0 H ASP A 14 2.407 6.929 -11.741 1.00 0.00 H new ATOM 0 HA ASP A 14 0.018 8.609 -11.999 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.547 8.994 -11.249 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.769 9.290 -12.962 1.00 0.00 H new ATOM 338 N ASP A 15 1.153 7.194 -14.622 1.00 0.00 N ATOM 339 CA ASP A 15 0.916 7.010 -16.047 1.00 0.00 C ATOM 340 C ASP A 15 0.159 5.690 -16.258 1.00 0.00 C ATOM 341 O ASP A 15 0.317 5.040 -17.272 1.00 0.00 O ATOM 342 CB ASP A 15 2.277 6.965 -16.769 1.00 0.00 C ATOM 343 CG ASP A 15 3.001 5.605 -16.556 1.00 0.00 C ATOM 344 OD1 ASP A 15 3.713 5.475 -15.570 1.00 0.00 O ATOM 345 OD2 ASP A 15 2.828 4.724 -17.388 1.00 0.00 O ATOM 0 H ASP A 15 1.716 6.462 -14.189 1.00 0.00 H new ATOM 0 HA ASP A 15 0.321 7.830 -16.448 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.128 7.134 -17.835 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.909 7.774 -16.403 1.00 0.00 H new ATOM 350 N GLU A 16 -0.616 5.269 -15.282 1.00 0.00 N ATOM 351 CA GLU A 16 -1.325 3.975 -15.395 1.00 0.00 C ATOM 352 C GLU A 16 -2.750 4.161 -15.895 1.00 0.00 C ATOM 353 O GLU A 16 -3.293 5.254 -15.915 1.00 0.00 O ATOM 354 CB GLU A 16 -1.344 3.315 -14.012 1.00 0.00 C ATOM 355 CG GLU A 16 -1.680 1.843 -14.152 1.00 0.00 C ATOM 356 CD GLU A 16 -0.829 1.027 -13.193 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.362 0.917 -13.438 1.00 0.00 O ATOM 358 OE2 GLU A 16 -1.373 0.524 -12.229 1.00 0.00 O ATOM 0 H GLU A 16 -0.781 5.777 -14.413 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.803 3.347 -16.117 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.374 3.432 -13.529 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.079 3.806 -13.374 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.737 1.680 -13.943 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.504 1.516 -15.177 1.00 0.00 H new ATOM 365 N LEU A 17 -3.349 3.085 -16.318 1.00 0.00 N ATOM 366 CA LEU A 17 -4.722 3.134 -16.842 1.00 0.00 C ATOM 367 C LEU A 17 -5.672 2.384 -15.889 1.00 0.00 C ATOM 368 O LEU A 17 -5.504 1.211 -15.601 1.00 0.00 O ATOM 369 CB LEU A 17 -4.692 2.476 -18.244 1.00 0.00 C ATOM 370 CG LEU A 17 -6.093 2.334 -18.829 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.544 3.670 -19.421 1.00 0.00 C ATOM 372 CD2 LEU A 17 -6.077 1.252 -19.942 1.00 0.00 C ATOM 0 H LEU A 17 -2.927 2.157 -16.319 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.087 4.158 -16.918 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.076 3.076 -18.915 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.225 1.494 -18.175 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.786 2.039 -18.041 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.546 3.564 -19.838 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.555 4.429 -18.639 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.853 3.971 -20.209 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.077 1.148 -20.363 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.382 1.548 -20.728 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.760 0.299 -19.518 1.00 0.00 H new ATOM 384 N SER A 18 -6.682 3.068 -15.414 1.00 0.00 N ATOM 385 CA SER A 18 -7.664 2.455 -14.506 1.00 0.00 C ATOM 386 C SER A 18 -8.696 1.705 -15.345 1.00 0.00 C ATOM 387 O SER A 18 -9.133 2.197 -16.373 1.00 0.00 O ATOM 388 CB SER A 18 -8.346 3.565 -13.728 1.00 0.00 C ATOM 389 OG SER A 18 -7.472 4.694 -13.611 1.00 0.00 O ATOM 0 H SER A 18 -6.860 4.049 -15.630 1.00 0.00 H new ATOM 0 HA SER A 18 -7.181 1.762 -13.817 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.267 3.859 -14.231 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.624 3.207 -12.737 1.00 0.00 H new ATOM 0 HG SER A 18 -7.922 5.405 -13.109 1.00 0.00 H new ATOM 395 N PHE A 19 -9.117 0.531 -14.916 1.00 0.00 N ATOM 396 CA PHE A 19 -10.153 -0.209 -15.710 1.00 0.00 C ATOM 397 C PHE A 19 -10.934 -1.237 -14.849 1.00 0.00 C ATOM 398 O PHE A 19 -10.679 -1.436 -13.675 1.00 0.00 O ATOM 399 CB PHE A 19 -9.516 -0.909 -16.907 1.00 0.00 C ATOM 400 CG PHE A 19 -8.436 -1.857 -16.455 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.763 -3.173 -16.082 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.107 -1.427 -16.419 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.755 -4.059 -15.685 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.095 -2.310 -16.019 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.418 -3.628 -15.650 1.00 0.00 C ATOM 0 H PHE A 19 -8.795 0.064 -14.069 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.868 0.534 -16.064 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.278 -1.456 -17.463 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.096 -0.168 -17.587 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.792 -3.500 -16.102 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.860 -0.414 -16.700 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.004 -5.072 -15.406 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.067 -1.978 -15.994 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.639 -4.309 -15.340 1.00 0.00 H new ATOM 415 N LYS A 20 -11.928 -1.824 -15.445 1.00 0.00 N ATOM 416 CA LYS A 20 -12.810 -2.789 -14.735 1.00 0.00 C ATOM 417 C LYS A 20 -12.613 -4.236 -15.230 1.00 0.00 C ATOM 418 O LYS A 20 -11.872 -4.504 -16.157 1.00 0.00 O ATOM 419 CB LYS A 20 -14.250 -2.375 -15.031 1.00 0.00 C ATOM 420 CG LYS A 20 -14.478 -0.932 -14.577 1.00 0.00 C ATOM 421 CD LYS A 20 -15.666 -0.890 -13.632 1.00 0.00 C ATOM 422 CE LYS A 20 -16.966 -1.158 -14.425 1.00 0.00 C ATOM 423 NZ LYS A 20 -17.844 0.053 -14.348 1.00 0.00 N ATOM 0 H LYS A 20 -12.174 -1.671 -16.423 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.572 -2.769 -13.672 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.452 -2.466 -16.098 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.943 -3.041 -14.517 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.587 -0.550 -14.078 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.661 -0.291 -15.439 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.546 -1.636 -12.847 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -15.720 0.082 -13.142 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.732 -1.388 -15.465 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.484 -2.025 -14.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.721 -0.120 -14.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.075 0.252 -13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.346 0.869 -14.757 1.00 0.00 H new ATOM 437 N ARG A 21 -13.317 -5.162 -14.607 1.00 0.00 N ATOM 438 CA ARG A 21 -13.248 -6.597 -14.994 1.00 0.00 C ATOM 439 C ARG A 21 -14.081 -6.789 -16.261 1.00 0.00 C ATOM 440 O ARG A 21 -15.295 -6.820 -16.211 1.00 0.00 O ATOM 441 CB ARG A 21 -13.852 -7.409 -13.863 1.00 0.00 C ATOM 442 CG ARG A 21 -13.671 -8.901 -14.110 1.00 0.00 C ATOM 443 CD ARG A 21 -13.708 -9.595 -12.760 1.00 0.00 C ATOM 444 NE ARG A 21 -12.959 -10.878 -12.834 1.00 0.00 N ATOM 445 CZ ARG A 21 -13.557 -12.014 -12.567 1.00 0.00 C ATOM 446 NH1 ARG A 21 -14.399 -12.103 -11.574 1.00 0.00 N ATOM 447 NH2 ARG A 21 -13.295 -13.062 -13.281 1.00 0.00 N ATOM 0 H ARG A 21 -13.948 -4.967 -13.830 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.221 -6.912 -15.177 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.381 -7.133 -12.920 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.913 -7.178 -13.770 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.461 -9.281 -14.758 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.724 -9.094 -14.614 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.270 -8.951 -11.997 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.740 -9.782 -12.465 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.973 -10.874 -13.094 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.597 -11.285 -10.998 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.859 -12.991 -11.374 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.625 -13.002 -14.048 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.758 -13.947 -13.076 1.00 0.00 H new ATOM 461 N GLY A 22 -13.442 -6.866 -17.389 1.00 0.00 N ATOM 462 CA GLY A 22 -14.180 -7.012 -18.692 1.00 0.00 C ATOM 463 C GLY A 22 -13.990 -5.724 -19.514 1.00 0.00 C ATOM 464 O GLY A 22 -14.358 -5.662 -20.673 1.00 0.00 O ATOM 0 H GLY A 22 -12.426 -6.835 -17.476 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.803 -7.872 -19.245 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.240 -7.190 -18.508 1.00 0.00 H new ATOM 468 N ASP A 23 -13.373 -4.714 -18.924 1.00 0.00 N ATOM 469 CA ASP A 23 -13.108 -3.475 -19.627 1.00 0.00 C ATOM 470 C ASP A 23 -11.893 -3.749 -20.510 1.00 0.00 C ATOM 471 O ASP A 23 -10.765 -3.725 -20.048 1.00 0.00 O ATOM 472 CB ASP A 23 -12.783 -2.388 -18.603 1.00 0.00 C ATOM 473 CG ASP A 23 -13.718 -1.193 -18.807 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.088 -0.944 -19.945 1.00 0.00 O ATOM 475 OD2 ASP A 23 -14.059 -0.545 -17.827 1.00 0.00 O ATOM 0 H ASP A 23 -13.047 -4.730 -17.958 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.959 -3.142 -20.221 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.895 -2.781 -17.593 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.745 -2.073 -18.710 1.00 0.00 H new ATOM 480 N ILE A 24 -12.115 -4.065 -21.737 1.00 0.00 N ATOM 481 CA ILE A 24 -10.981 -4.427 -22.624 1.00 0.00 C ATOM 482 C ILE A 24 -10.241 -3.171 -23.061 1.00 0.00 C ATOM 483 O ILE A 24 -10.827 -2.180 -23.448 1.00 0.00 O ATOM 484 CB ILE A 24 -11.476 -5.292 -23.780 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.495 -6.337 -23.205 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.271 -6.010 -24.369 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.847 -7.384 -24.235 1.00 0.00 C ATOM 0 H ILE A 24 -13.036 -4.091 -22.175 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.254 -5.034 -22.084 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.964 -4.695 -24.550 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.068 -6.818 -22.325 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.400 -5.824 -22.880 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.592 -6.638 -25.200 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.549 -5.276 -24.727 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.807 -6.631 -23.603 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.555 -8.093 -23.806 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.297 -6.903 -25.104 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.944 -7.912 -24.540 1.00 0.00 H new ATOM 499 N LEU A 25 -8.944 -3.199 -22.907 1.00 0.00 N ATOM 500 CA LEU A 25 -8.111 -2.009 -23.189 1.00 0.00 C ATOM 501 C LEU A 25 -7.622 -2.017 -24.635 1.00 0.00 C ATOM 502 O LEU A 25 -7.641 -3.032 -25.301 1.00 0.00 O ATOM 503 CB LEU A 25 -6.881 -2.013 -22.260 1.00 0.00 C ATOM 504 CG LEU A 25 -7.215 -2.382 -20.754 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.604 -1.864 -20.300 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.144 -3.917 -20.550 1.00 0.00 C ATOM 0 H LEU A 25 -8.423 -4.017 -22.591 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.719 -1.120 -23.020 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.150 -2.724 -22.644 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.414 -1.029 -22.288 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.465 -1.885 -20.138 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.776 -2.147 -19.262 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.635 -0.778 -20.390 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.379 -2.302 -20.929 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.375 -4.157 -19.512 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.866 -4.405 -21.205 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.141 -4.270 -20.789 1.00 0.00 H new ATOM 518 N LYS A 26 -7.140 -0.884 -25.109 1.00 0.00 N ATOM 519 CA LYS A 26 -6.603 -0.799 -26.528 1.00 0.00 C ATOM 520 C LYS A 26 -5.092 -0.730 -26.437 1.00 0.00 C ATOM 521 O LYS A 26 -4.558 0.283 -26.055 1.00 0.00 O ATOM 522 CB LYS A 26 -7.122 0.476 -27.195 1.00 0.00 C ATOM 523 CG LYS A 26 -8.644 0.357 -27.432 1.00 0.00 C ATOM 524 CD LYS A 26 -8.952 0.316 -28.946 1.00 0.00 C ATOM 525 CE LYS A 26 -10.000 1.378 -29.300 1.00 0.00 C ATOM 526 NZ LYS A 26 -9.307 2.630 -29.727 1.00 0.00 N ATOM 0 H LYS A 26 -7.093 -0.013 -24.581 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.922 -1.662 -27.113 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.909 1.340 -26.566 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.608 0.637 -28.143 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.024 -0.545 -26.953 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.157 1.202 -26.973 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.039 0.491 -29.515 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.317 -0.673 -29.224 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.647 1.016 -30.099 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.638 1.577 -28.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.014 3.353 -29.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.708 2.977 -28.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.716 2.433 -30.560 1.00 0.00 H new ATOM 540 N VAL A 27 -4.388 -1.791 -26.744 1.00 0.00 N ATOM 541 CA VAL A 27 -2.895 -1.732 -26.571 1.00 0.00 C ATOM 542 C VAL A 27 -2.261 -0.640 -27.438 1.00 0.00 C ATOM 543 O VAL A 27 -2.280 -0.673 -28.650 1.00 0.00 O ATOM 544 CB VAL A 27 -2.229 -3.083 -26.835 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.871 -3.079 -26.143 1.00 0.00 C ATOM 546 CG2 VAL A 27 -3.091 -4.215 -26.253 1.00 0.00 C ATOM 0 H VAL A 27 -4.763 -2.672 -27.096 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.720 -1.475 -25.526 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.117 -3.243 -27.907 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.372 -4.033 -26.315 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.259 -2.272 -26.546 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.009 -2.929 -25.072 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.610 -5.174 -26.445 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.201 -4.073 -25.178 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.074 -4.202 -26.723 1.00 0.00 H new ATOM 556 N LEU A 28 -1.681 0.323 -26.774 1.00 0.00 N ATOM 557 CA LEU A 28 -1.003 1.451 -27.443 1.00 0.00 C ATOM 558 C LEU A 28 0.445 1.056 -27.702 1.00 0.00 C ATOM 559 O LEU A 28 1.042 1.424 -28.702 1.00 0.00 O ATOM 560 CB LEU A 28 -1.018 2.654 -26.470 1.00 0.00 C ATOM 561 CG LEU A 28 -2.016 3.737 -26.906 1.00 0.00 C ATOM 562 CD1 LEU A 28 -3.395 3.115 -27.200 1.00 0.00 C ATOM 563 CD2 LEU A 28 -2.150 4.760 -25.754 1.00 0.00 C ATOM 0 H LEU A 28 -1.653 0.367 -25.755 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.498 1.704 -28.380 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.275 2.307 -25.469 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.019 3.085 -26.412 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.657 4.222 -27.814 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.089 3.897 -27.507 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.300 2.380 -27.999 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.773 2.627 -26.302 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.855 5.540 -26.041 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.512 4.255 -24.859 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.177 5.207 -25.549 1.00 0.00 H new ATOM 575 N ASN A 29 1.026 0.329 -26.773 1.00 0.00 N ATOM 576 CA ASN A 29 2.458 -0.075 -26.927 1.00 0.00 C ATOM 577 C ASN A 29 2.698 -1.504 -26.406 1.00 0.00 C ATOM 578 O ASN A 29 2.394 -1.828 -25.269 1.00 0.00 O ATOM 579 CB ASN A 29 3.331 0.904 -26.144 1.00 0.00 C ATOM 580 CG ASN A 29 4.717 0.997 -26.792 1.00 0.00 C ATOM 581 OD1 ASN A 29 5.192 0.049 -27.385 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.375 2.115 -26.728 1.00 0.00 N ATOM 0 H ASN A 29 0.571 0.001 -25.921 1.00 0.00 H new ATOM 0 HA ASN A 29 2.713 -0.056 -27.986 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.862 1.888 -26.124 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.425 0.575 -25.109 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.288 2.196 -27.175 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.978 2.912 -26.231 1.00 0.00 H new ATOM 673 N TRP A 36 3.881 -5.466 -17.839 1.00 0.00 N ATOM 674 CA TRP A 36 2.728 -4.520 -18.022 1.00 0.00 C ATOM 675 C TRP A 36 2.845 -3.873 -19.423 1.00 0.00 C ATOM 676 O TRP A 36 3.920 -3.496 -19.850 1.00 0.00 O ATOM 677 CB TRP A 36 2.741 -3.395 -16.945 1.00 0.00 C ATOM 678 CG TRP A 36 2.844 -3.929 -15.532 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.805 -4.771 -15.088 1.00 0.00 C ATOM 680 CD2 TRP A 36 2.043 -3.576 -14.344 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.605 -5.014 -13.742 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.556 -4.284 -13.232 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.936 -2.726 -14.124 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.996 -4.161 -11.948 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.381 -2.589 -12.831 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.919 -3.296 -11.747 1.00 0.00 C ATOM 0 HA TRP A 36 1.797 -5.078 -17.921 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.580 -2.726 -17.137 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.832 -2.801 -17.037 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.601 -5.187 -15.689 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.170 -5.660 -13.190 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.510 -2.176 -14.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.396 -4.732 -11.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.464 -1.934 -12.677 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.501 -3.172 -10.759 1.00 0.00 H new ATOM 697 N TYR A 37 1.745 -3.730 -20.130 1.00 0.00 N ATOM 698 CA TYR A 37 1.791 -3.084 -21.503 1.00 0.00 C ATOM 699 C TYR A 37 1.375 -1.618 -21.372 1.00 0.00 C ATOM 700 O TYR A 37 1.116 -1.145 -20.313 1.00 0.00 O ATOM 701 CB TYR A 37 0.702 -3.668 -22.441 1.00 0.00 C ATOM 702 CG TYR A 37 0.692 -5.158 -22.551 1.00 0.00 C ATOM 703 CD1 TYR A 37 -0.120 -5.904 -21.702 1.00 0.00 C ATOM 704 CD2 TYR A 37 1.399 -5.783 -23.576 1.00 0.00 C ATOM 705 CE1 TYR A 37 -0.236 -7.284 -21.878 1.00 0.00 C ATOM 706 CE2 TYR A 37 1.308 -7.163 -23.745 1.00 0.00 C ATOM 707 CZ TYR A 37 0.486 -7.920 -22.909 1.00 0.00 C ATOM 708 OH TYR A 37 0.365 -9.288 -23.125 1.00 0.00 O ATOM 0 H TYR A 37 0.818 -4.028 -19.825 1.00 0.00 H new ATOM 0 HA TYR A 37 2.798 -3.241 -21.890 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.275 -3.339 -22.087 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.839 -3.247 -23.437 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.661 -5.415 -20.906 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.018 -5.198 -24.240 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.876 -7.862 -21.228 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.875 -7.648 -24.525 1.00 0.00 H new ATOM 0 HH TYR A 37 0.935 -9.552 -23.878 1.00 0.00 H new ATOM 718 N LYS A 38 1.184 -0.964 -22.500 1.00 0.00 N ATOM 719 CA LYS A 38 0.616 0.399 -22.540 1.00 0.00 C ATOM 720 C LYS A 38 -0.728 0.188 -23.259 1.00 0.00 C ATOM 721 O LYS A 38 -0.825 -0.675 -24.114 1.00 0.00 O ATOM 722 CB LYS A 38 1.486 1.331 -23.366 1.00 0.00 C ATOM 723 CG LYS A 38 1.033 2.759 -23.106 1.00 0.00 C ATOM 724 CD LYS A 38 1.541 3.691 -24.216 1.00 0.00 C ATOM 725 CE LYS A 38 2.380 4.841 -23.597 1.00 0.00 C ATOM 726 NZ LYS A 38 1.514 6.036 -23.400 1.00 0.00 N ATOM 0 H LYS A 38 1.412 -1.346 -23.418 1.00 0.00 H new ATOM 0 HA LYS A 38 0.532 0.848 -21.550 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.535 1.210 -23.096 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.400 1.092 -24.426 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.055 2.799 -23.058 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.407 3.096 -22.139 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.147 3.128 -24.926 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.698 4.102 -24.772 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.804 4.524 -22.644 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.216 5.088 -24.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.075 6.807 -22.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.130 6.342 -24.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.731 5.795 -22.760 1.00 0.00 H new ATOM 740 N ALA A 39 -1.759 0.929 -22.921 1.00 0.00 N ATOM 741 CA ALA A 39 -3.088 0.732 -23.593 1.00 0.00 C ATOM 742 C ALA A 39 -4.015 1.845 -23.281 1.00 0.00 C ATOM 743 O ALA A 39 -3.635 2.833 -22.681 1.00 0.00 O ATOM 744 CB ALA A 39 -3.682 -0.603 -23.201 1.00 0.00 C ATOM 0 H ALA A 39 -1.739 1.660 -22.210 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.931 0.732 -24.672 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.645 -0.732 -23.695 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.008 -1.404 -23.504 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.822 -0.636 -22.120 1.00 0.00 H new ATOM 750 N GLU A 40 -5.213 1.748 -23.766 1.00 0.00 N ATOM 751 CA GLU A 40 -6.129 2.869 -23.591 1.00 0.00 C ATOM 752 C GLU A 40 -7.599 2.475 -23.692 1.00 0.00 C ATOM 753 O GLU A 40 -8.041 1.769 -24.572 1.00 0.00 O ATOM 754 CB GLU A 40 -5.712 3.929 -24.652 1.00 0.00 C ATOM 755 CG GLU A 40 -6.828 4.273 -25.659 1.00 0.00 C ATOM 756 CD GLU A 40 -6.371 5.420 -26.554 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.228 6.521 -26.046 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.173 5.173 -27.724 1.00 0.00 O ATOM 0 H GLU A 40 -5.585 0.943 -24.270 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.050 3.272 -22.581 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.404 4.840 -24.140 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.843 3.561 -25.198 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.068 3.399 -26.264 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.738 4.553 -25.128 1.00 0.00 H new ATOM 765 N LEU A 41 -8.338 3.013 -22.790 1.00 0.00 N ATOM 766 CA LEU A 41 -9.822 2.789 -22.740 1.00 0.00 C ATOM 767 C LEU A 41 -10.609 3.845 -23.417 1.00 0.00 C ATOM 768 O LEU A 41 -11.041 4.817 -22.834 1.00 0.00 O ATOM 769 CB LEU A 41 -10.332 2.635 -21.311 1.00 0.00 C ATOM 770 CG LEU A 41 -10.305 1.177 -20.969 1.00 0.00 C ATOM 771 CD1 LEU A 41 -10.275 0.995 -19.459 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.562 0.521 -21.555 1.00 0.00 C ATOM 0 H LEU A 41 -7.981 3.621 -22.053 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.972 1.858 -23.286 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.708 3.201 -20.620 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.344 3.029 -21.222 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.412 0.712 -21.387 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.256 -0.069 -19.221 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.384 1.474 -19.052 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.164 1.449 -19.020 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.562 -0.543 -21.317 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.449 0.988 -21.128 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.569 0.651 -22.637 1.00 0.00 H new ATOM 784 N ASN A 42 -10.900 3.581 -24.628 1.00 0.00 N ATOM 785 CA ASN A 42 -11.773 4.466 -25.429 1.00 0.00 C ATOM 786 C ASN A 42 -11.392 5.955 -25.314 1.00 0.00 C ATOM 787 O ASN A 42 -12.224 6.820 -25.521 1.00 0.00 O ATOM 788 CB ASN A 42 -13.174 4.294 -24.905 1.00 0.00 C ATOM 789 CG ASN A 42 -13.838 3.089 -25.607 1.00 0.00 C ATOM 790 OD1 ASN A 42 -14.234 2.129 -24.965 1.00 0.00 O ATOM 791 ND2 ASN A 42 -13.973 3.098 -26.906 1.00 0.00 N ATOM 0 H ASN A 42 -10.562 2.759 -25.128 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.672 4.190 -26.479 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.154 4.136 -23.827 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.755 5.199 -25.084 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.407 2.306 -27.379 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.644 3.897 -27.447 1.00 0.00 H new ATOM 798 N GLY A 43 -10.176 6.252 -24.981 1.00 0.00 N ATOM 799 CA GLY A 43 -9.760 7.692 -24.847 1.00 0.00 C ATOM 800 C GLY A 43 -8.782 7.848 -23.676 1.00 0.00 C ATOM 801 O GLY A 43 -7.840 8.619 -23.748 1.00 0.00 O ATOM 0 H GLY A 43 -9.442 5.570 -24.793 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.291 8.031 -25.771 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.637 8.319 -24.685 1.00 0.00 H new ATOM 805 N LYS A 44 -8.963 7.087 -22.615 1.00 0.00 N ATOM 806 CA LYS A 44 -8.037 7.145 -21.495 1.00 0.00 C ATOM 807 C LYS A 44 -6.897 6.256 -21.852 1.00 0.00 C ATOM 808 O LYS A 44 -6.961 5.509 -22.815 1.00 0.00 O ATOM 809 CB LYS A 44 -8.694 6.684 -20.213 1.00 0.00 C ATOM 810 CG LYS A 44 -9.317 7.887 -19.516 1.00 0.00 C ATOM 811 CD LYS A 44 -10.658 8.265 -20.175 1.00 0.00 C ATOM 812 CE LYS A 44 -11.656 7.121 -20.027 1.00 0.00 C ATOM 813 NZ LYS A 44 -13.008 7.584 -20.456 1.00 0.00 N ATOM 0 H LYS A 44 -9.733 6.427 -22.502 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.705 8.168 -21.319 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.457 5.936 -20.429 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.959 6.210 -19.562 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.475 7.661 -18.462 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.633 8.734 -19.561 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.057 9.168 -19.713 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.503 8.488 -21.231 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.342 6.270 -20.631 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.687 6.783 -18.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.690 6.805 -20.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.306 8.384 -19.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.972 7.887 -21.450 1.00 0.00 H new ATOM 827 N ASP A 45 -5.840 6.358 -21.134 1.00 0.00 N ATOM 828 CA ASP A 45 -4.650 5.569 -21.483 1.00 0.00 C ATOM 829 C ASP A 45 -3.661 5.305 -20.309 1.00 0.00 C ATOM 830 O ASP A 45 -3.831 5.767 -19.198 1.00 0.00 O ATOM 831 CB ASP A 45 -3.979 6.328 -22.635 1.00 0.00 C ATOM 832 CG ASP A 45 -2.800 7.219 -22.177 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.933 7.881 -21.157 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.794 7.222 -22.862 1.00 0.00 O ATOM 0 H ASP A 45 -5.744 6.957 -20.314 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.957 4.562 -21.764 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.618 5.611 -23.372 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.723 6.950 -23.133 1.00 0.00 H new ATOM 839 N GLY A 46 -2.598 4.585 -20.621 1.00 0.00 N ATOM 840 CA GLY A 46 -1.532 4.282 -19.623 1.00 0.00 C ATOM 841 C GLY A 46 -1.287 2.751 -19.474 1.00 0.00 C ATOM 842 O GLY A 46 -1.943 1.943 -20.095 1.00 0.00 O ATOM 0 H GLY A 46 -2.430 4.191 -21.547 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.605 4.769 -19.924 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.812 4.700 -18.656 1.00 0.00 H new ATOM 846 N PHE A 47 -0.293 2.376 -18.693 1.00 0.00 N ATOM 847 CA PHE A 47 0.090 0.930 -18.542 1.00 0.00 C ATOM 848 C PHE A 47 -1.022 0.038 -17.957 1.00 0.00 C ATOM 849 O PHE A 47 -1.988 0.500 -17.381 1.00 0.00 O ATOM 850 CB PHE A 47 1.331 0.838 -17.612 1.00 0.00 C ATOM 851 CG PHE A 47 2.585 1.419 -18.250 1.00 0.00 C ATOM 852 CD1 PHE A 47 2.753 1.455 -19.644 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.598 1.911 -17.415 1.00 0.00 C ATOM 854 CE1 PHE A 47 3.922 1.987 -20.190 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.763 2.445 -17.968 1.00 0.00 C ATOM 856 CZ PHE A 47 4.925 2.481 -19.354 1.00 0.00 C ATOM 0 H PHE A 47 0.277 3.022 -18.146 1.00 0.00 H new ATOM 0 HA PHE A 47 0.293 0.560 -19.547 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.123 1.366 -16.682 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.510 -0.206 -17.353 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.979 1.072 -20.292 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.477 1.877 -16.342 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.051 2.017 -21.262 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.539 2.830 -17.323 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.828 2.892 -19.780 1.00 0.00 H new ATOM 866 N ILE A 48 -0.844 -1.275 -18.095 1.00 0.00 N ATOM 867 CA ILE A 48 -1.817 -2.255 -17.555 1.00 0.00 C ATOM 868 C ILE A 48 -1.050 -3.552 -17.106 1.00 0.00 C ATOM 869 O ILE A 48 -0.401 -4.175 -17.925 1.00 0.00 O ATOM 870 CB ILE A 48 -2.827 -2.629 -18.647 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.057 -3.042 -19.935 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.741 -1.415 -18.899 1.00 0.00 C ATOM 873 CD1 ILE A 48 -2.993 -3.165 -21.146 1.00 0.00 C ATOM 0 H ILE A 48 -0.045 -1.694 -18.571 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.339 -1.816 -16.705 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.444 -3.473 -18.339 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.283 -2.305 -20.148 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.553 -3.994 -19.767 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.467 -1.661 -19.674 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.265 -1.157 -17.979 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.138 -0.567 -19.223 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.416 -3.455 -22.024 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.751 -3.921 -20.944 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.477 -2.206 -21.331 1.00 0.00 H new ATOM 885 N PRO A 49 -1.166 -3.963 -15.839 1.00 0.00 N ATOM 886 CA PRO A 49 -0.517 -5.197 -15.373 1.00 0.00 C ATOM 887 C PRO A 49 -1.116 -6.395 -16.069 1.00 0.00 C ATOM 888 O PRO A 49 -2.220 -6.773 -15.823 1.00 0.00 O ATOM 889 CB PRO A 49 -0.777 -5.246 -13.866 1.00 0.00 C ATOM 890 CG PRO A 49 -1.966 -4.282 -13.619 1.00 0.00 C ATOM 891 CD PRO A 49 -1.931 -3.269 -14.802 1.00 0.00 C ATOM 0 HA PRO A 49 0.551 -5.212 -15.592 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.019 -6.258 -13.542 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.104 -4.934 -13.305 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.912 -4.823 -13.593 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.865 -3.771 -12.661 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.935 -3.021 -15.145 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.453 -2.333 -14.512 1.00 0.00 H new ATOM 899 N LYS A 50 -0.354 -6.956 -16.960 1.00 0.00 N ATOM 900 CA LYS A 50 -0.752 -8.155 -17.771 1.00 0.00 C ATOM 901 C LYS A 50 -1.497 -9.264 -16.982 1.00 0.00 C ATOM 902 O LYS A 50 -2.334 -9.918 -17.540 1.00 0.00 O ATOM 903 CB LYS A 50 0.527 -8.748 -18.287 1.00 0.00 C ATOM 904 CG LYS A 50 0.220 -9.781 -19.340 1.00 0.00 C ATOM 905 CD LYS A 50 1.534 -10.102 -20.075 1.00 0.00 C ATOM 906 CE LYS A 50 1.712 -11.629 -20.200 1.00 0.00 C ATOM 907 NZ LYS A 50 2.694 -11.955 -21.275 1.00 0.00 N ATOM 0 H LYS A 50 0.583 -6.617 -17.176 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.446 -7.816 -18.540 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.159 -7.965 -18.706 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.084 -9.204 -17.468 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.193 -10.681 -18.884 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.527 -9.405 -20.039 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.526 -9.647 -21.065 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.377 -9.673 -19.533 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.054 -12.040 -19.250 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.752 -12.096 -20.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.802 -12.987 -21.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.352 -11.580 -22.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.613 -11.526 -21.047 1.00 0.00 H new ATOM 921 N ASN A 51 -1.147 -9.538 -15.743 1.00 0.00 N ATOM 922 CA ASN A 51 -1.812 -10.641 -15.015 1.00 0.00 C ATOM 923 C ASN A 51 -3.330 -10.357 -14.843 1.00 0.00 C ATOM 924 O ASN A 51 -4.143 -11.267 -14.761 1.00 0.00 O ATOM 925 CB ASN A 51 -1.123 -10.831 -13.705 1.00 0.00 C ATOM 926 CG ASN A 51 0.412 -10.908 -13.923 1.00 0.00 C ATOM 927 OD1 ASN A 51 1.115 -9.924 -13.758 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.956 -12.052 -14.285 1.00 0.00 N ATOM 0 H ASN A 51 -0.430 -9.039 -15.216 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.736 -11.565 -15.588 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.363 -10.006 -13.035 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.478 -11.744 -13.226 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.964 -12.115 -14.427 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.369 -12.875 -14.423 1.00 0.00 H new ATOM 935 N TYR A 52 -3.718 -9.109 -14.878 1.00 0.00 N ATOM 936 CA TYR A 52 -5.162 -8.756 -14.827 1.00 0.00 C ATOM 937 C TYR A 52 -5.577 -8.529 -16.269 1.00 0.00 C ATOM 938 O TYR A 52 -6.396 -7.673 -16.554 1.00 0.00 O ATOM 939 CB TYR A 52 -5.378 -7.429 -14.055 1.00 0.00 C ATOM 940 CG TYR A 52 -5.360 -7.588 -12.590 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.290 -8.192 -11.954 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.403 -7.053 -11.863 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.265 -8.268 -10.573 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.391 -7.115 -10.495 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.317 -7.732 -9.828 1.00 0.00 C ATOM 946 OH TYR A 52 -5.309 -7.807 -8.446 1.00 0.00 O ATOM 0 H TYR A 52 -3.085 -8.311 -14.941 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.732 -9.541 -14.330 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.603 -6.720 -14.344 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.333 -6.996 -14.353 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.477 -8.603 -12.534 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.231 -6.584 -12.374 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.433 -8.741 -10.072 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.206 -6.690 -9.928 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.118 -7.383 -8.091 1.00 0.00 H new ATOM 956 N ILE A 53 -4.994 -9.258 -17.207 1.00 0.00 N ATOM 957 CA ILE A 53 -5.347 -9.022 -18.613 1.00 0.00 C ATOM 958 C ILE A 53 -5.057 -10.222 -19.485 1.00 0.00 C ATOM 959 O ILE A 53 -4.393 -11.162 -19.097 1.00 0.00 O ATOM 960 CB ILE A 53 -4.551 -7.847 -19.224 1.00 0.00 C ATOM 961 CG1 ILE A 53 -3.928 -6.966 -18.145 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.487 -6.984 -20.096 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.074 -5.912 -18.815 1.00 0.00 C ATOM 0 H ILE A 53 -4.303 -9.989 -17.041 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.415 -8.803 -18.596 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.749 -8.270 -19.828 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.707 -6.496 -17.544 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.323 -7.569 -17.468 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.923 -6.156 -20.526 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.903 -7.594 -20.898 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.297 -6.591 -19.482 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.622 -5.274 -18.056 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.290 -6.395 -19.397 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.695 -5.306 -19.475 1.00 0.00 H new ATOM 975 N GLU A 54 -5.461 -10.100 -20.723 1.00 0.00 N ATOM 976 CA GLU A 54 -5.163 -11.101 -21.727 1.00 0.00 C ATOM 977 C GLU A 54 -5.189 -10.386 -23.080 1.00 0.00 C ATOM 978 O GLU A 54 -5.810 -9.349 -23.242 1.00 0.00 O ATOM 979 CB GLU A 54 -6.146 -12.235 -21.718 1.00 0.00 C ATOM 980 CG GLU A 54 -5.406 -13.575 -21.494 1.00 0.00 C ATOM 981 CD GLU A 54 -6.204 -14.492 -20.560 1.00 0.00 C ATOM 982 OE1 GLU A 54 -7.411 -14.330 -20.486 1.00 0.00 O ATOM 983 OE2 GLU A 54 -5.596 -15.352 -19.933 1.00 0.00 O ATOM 0 H GLU A 54 -6.004 -9.309 -21.068 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.190 -11.547 -21.522 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.884 -12.081 -20.930 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.689 -12.264 -22.662 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.249 -14.072 -22.451 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.421 -13.384 -21.068 1.00 0.00 H new ATOM 990 N MET A 55 -4.484 -10.904 -24.018 1.00 0.00 N ATOM 991 CA MET A 55 -4.376 -10.231 -25.346 1.00 0.00 C ATOM 992 C MET A 55 -5.358 -10.789 -26.357 1.00 0.00 C ATOM 993 O MET A 55 -5.264 -11.931 -26.757 1.00 0.00 O ATOM 994 CB MET A 55 -2.929 -10.424 -25.831 1.00 0.00 C ATOM 995 CG MET A 55 -2.718 -9.812 -27.226 1.00 0.00 C ATOM 996 SD MET A 55 -1.106 -10.347 -27.870 1.00 0.00 S ATOM 997 CE MET A 55 -0.611 -8.760 -28.579 1.00 0.00 C ATOM 0 H MET A 55 -3.964 -11.778 -23.935 1.00 0.00 H new ATOM 0 HA MET A 55 -4.623 -9.174 -25.242 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.242 -9.963 -25.122 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.692 -11.488 -25.859 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.515 -10.126 -27.899 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.759 -8.724 -27.170 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.372 -8.858 -29.039 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.336 -8.457 -29.334 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.570 -8.007 -27.792 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.294 -9.969 -26.795 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.250 -10.410 -27.784 1.00 0.00 C ATOM 1009 C LYS A 56 -7.032 -9.669 -29.100 1.00 0.00 C ATOM 1010 O LYS A 56 -6.473 -8.575 -29.120 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.613 -10.156 -27.264 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.066 -11.390 -26.497 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.595 -11.344 -26.215 1.00 0.00 C ATOM 1014 CE LYS A 56 -10.973 -10.032 -25.513 1.00 0.00 C ATOM 1015 NZ LYS A 56 -11.581 -9.091 -26.527 1.00 0.00 N ATOM 0 H LYS A 56 -6.410 -9.005 -26.484 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.122 -11.475 -27.976 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.615 -9.282 -26.613 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.300 -9.944 -28.084 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.825 -12.286 -27.069 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.521 -11.457 -25.555 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.146 -11.434 -27.151 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.882 -12.192 -25.593 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.681 -10.226 -24.707 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.091 -9.579 -25.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.116 -8.163 -26.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.448 -9.478 -27.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.597 -8.983 -26.335 1.00 0.00 H new