USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=7 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+ 169:sc= 1.06 (180deg=0.847) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -53:sc= 0.132 USER MOD Single : A 18 SER OG : rot 180:sc= 0 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= -0.322 X(o=-0.32,f=-0.047) USER MOD Single : A 37 TYR OH : rot 15:sc= -3.23 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.76) 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 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 89:sc= 1.32 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= -0.0266 (180deg=-0.596) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -3.691 -3.605 -30.936 1.00 0.00 N ATOM 125 CA MET A 1 -4.538 -4.782 -30.603 1.00 0.00 C ATOM 126 C MET A 1 -5.294 -4.497 -29.333 1.00 0.00 C ATOM 127 O MET A 1 -5.244 -3.394 -28.808 1.00 0.00 O ATOM 128 CB MET A 1 -3.666 -6.021 -30.410 1.00 0.00 C ATOM 129 CG MET A 1 -3.511 -6.735 -31.742 1.00 0.00 C ATOM 130 SD MET A 1 -2.521 -5.722 -32.869 1.00 0.00 S ATOM 131 CE MET A 1 -1.227 -6.943 -33.193 1.00 0.00 C ATOM 0 H1 MET A 1 -3.030 -3.857 -31.698 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.296 -2.819 -31.249 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.154 -3.315 -30.094 1.00 0.00 H new ATOM 0 HA MET A 1 -5.236 -4.967 -31.419 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.689 -5.736 -30.021 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.119 -6.688 -29.677 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.032 -7.703 -31.593 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.491 -6.928 -32.178 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.493 -6.522 -33.880 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.737 -7.211 -32.257 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.670 -7.834 -33.638 1.00 0.00 H new ATOM 141 N GLU A 2 -5.992 -5.473 -28.817 1.00 0.00 N ATOM 142 CA GLU A 2 -6.738 -5.260 -27.589 1.00 0.00 C ATOM 143 C GLU A 2 -6.258 -6.274 -26.587 1.00 0.00 C ATOM 144 O GLU A 2 -5.423 -7.107 -26.887 1.00 0.00 O ATOM 145 CB GLU A 2 -8.229 -5.463 -27.868 1.00 0.00 C ATOM 146 CG GLU A 2 -9.029 -4.277 -27.325 1.00 0.00 C ATOM 147 CD GLU A 2 -10.470 -4.359 -27.832 1.00 0.00 C ATOM 148 OE1 GLU A 2 -11.085 -5.395 -27.643 1.00 0.00 O ATOM 149 OE2 GLU A 2 -10.932 -3.384 -28.401 1.00 0.00 O ATOM 0 H GLU A 2 -6.065 -6.410 -29.213 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.588 -4.251 -27.206 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.396 -5.565 -28.940 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.572 -6.387 -27.403 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.015 -4.283 -26.235 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.573 -3.340 -27.644 1.00 0.00 H new ATOM 156 N ALA A 3 -6.773 -6.211 -25.417 1.00 0.00 N ATOM 157 CA ALA A 3 -6.368 -7.174 -24.375 1.00 0.00 C ATOM 158 C ALA A 3 -7.434 -7.239 -23.290 1.00 0.00 C ATOM 159 O ALA A 3 -7.679 -6.296 -22.575 1.00 0.00 O ATOM 160 CB ALA A 3 -5.056 -6.749 -23.803 1.00 0.00 C ATOM 0 H ALA A 3 -7.469 -5.525 -25.125 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.261 -8.169 -24.808 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.749 -7.456 -23.032 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.305 -6.725 -24.593 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.154 -5.755 -23.366 1.00 0.00 H new ATOM 166 N ILE A 4 -8.078 -8.355 -23.195 1.00 0.00 N ATOM 167 CA ILE A 4 -9.173 -8.541 -22.204 1.00 0.00 C ATOM 168 C ILE A 4 -8.703 -8.335 -20.786 1.00 0.00 C ATOM 169 O ILE A 4 -7.854 -9.037 -20.296 1.00 0.00 O ATOM 170 CB ILE A 4 -9.735 -9.947 -22.341 1.00 0.00 C ATOM 171 CG1 ILE A 4 -10.807 -10.197 -21.260 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.626 -10.972 -22.198 1.00 0.00 C ATOM 173 CD1 ILE A 4 -11.998 -10.846 -21.889 1.00 0.00 C ATOM 0 H ILE A 4 -7.891 -9.172 -23.776 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.938 -7.793 -22.412 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.188 -10.044 -23.328 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.405 -10.834 -20.472 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.096 -9.256 -20.792 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.042 -11.975 -22.298 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.879 -10.810 -22.975 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.159 -10.869 -21.218 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.759 -11.025 -21.129 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.403 -10.192 -22.661 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.702 -11.795 -22.336 1.00 0.00 H new ATOM 185 N ALA A 5 -9.334 -7.425 -20.111 1.00 0.00 N ATOM 186 CA ALA A 5 -9.010 -7.198 -18.660 1.00 0.00 C ATOM 187 C ALA A 5 -9.648 -8.346 -17.869 1.00 0.00 C ATOM 188 O ALA A 5 -10.855 -8.397 -17.707 1.00 0.00 O ATOM 189 CB ALA A 5 -9.604 -5.877 -18.175 1.00 0.00 C ATOM 0 H ALA A 5 -10.063 -6.821 -20.491 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.930 -7.161 -18.521 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.358 -5.732 -17.123 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.191 -5.056 -18.761 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.687 -5.899 -18.295 1.00 0.00 H new ATOM 195 N LYS A 6 -8.859 -9.279 -17.405 1.00 0.00 N ATOM 196 CA LYS A 6 -9.421 -10.443 -16.655 1.00 0.00 C ATOM 197 C LYS A 6 -10.041 -9.991 -15.327 1.00 0.00 C ATOM 198 O LYS A 6 -10.924 -10.642 -14.802 1.00 0.00 O ATOM 199 CB LYS A 6 -8.305 -11.437 -16.345 1.00 0.00 C ATOM 200 CG LYS A 6 -7.620 -11.860 -17.634 1.00 0.00 C ATOM 201 CD LYS A 6 -6.212 -12.362 -17.318 1.00 0.00 C ATOM 202 CE LYS A 6 -6.294 -13.653 -16.500 1.00 0.00 C ATOM 203 NZ LYS A 6 -4.925 -14.217 -16.325 1.00 0.00 N ATOM 0 H LYS A 6 -7.845 -9.286 -17.513 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.190 -10.905 -17.275 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.580 -10.984 -15.669 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.714 -12.310 -15.836 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.196 -12.644 -18.125 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.572 -11.019 -18.326 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.664 -12.541 -18.243 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.661 -11.603 -16.762 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.743 -13.452 -15.527 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.935 -14.376 -17.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.979 -15.094 -15.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.512 -14.423 -17.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.327 -13.528 -15.826 1.00 0.00 H new ATOM 217 N TYR A 7 -9.570 -8.898 -14.766 1.00 0.00 N ATOM 218 CA TYR A 7 -10.125 -8.434 -13.442 1.00 0.00 C ATOM 219 C TYR A 7 -10.216 -6.922 -13.410 1.00 0.00 C ATOM 220 O TYR A 7 -10.020 -6.248 -14.403 1.00 0.00 O ATOM 221 CB TYR A 7 -9.211 -8.896 -12.284 1.00 0.00 C ATOM 222 CG TYR A 7 -8.739 -10.310 -12.508 1.00 0.00 C ATOM 223 CD1 TYR A 7 -9.653 -11.365 -12.500 1.00 0.00 C ATOM 224 CD2 TYR A 7 -7.384 -10.559 -12.726 1.00 0.00 C ATOM 225 CE1 TYR A 7 -9.209 -12.676 -12.717 1.00 0.00 C ATOM 226 CE2 TYR A 7 -6.935 -11.862 -12.940 1.00 0.00 C ATOM 227 CZ TYR A 7 -7.847 -12.924 -12.937 1.00 0.00 C ATOM 228 OH TYR A 7 -7.406 -14.214 -13.150 1.00 0.00 O ATOM 0 H TYR A 7 -8.834 -8.311 -15.159 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.118 -8.867 -13.323 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.352 -8.229 -12.204 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.752 -8.833 -11.340 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -10.701 -11.171 -12.327 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.680 -9.740 -12.729 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.915 -13.494 -12.715 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.885 -12.051 -13.108 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.436 -14.210 -13.287 1.00 0.00 H new ATOM 238 N ASP A 8 -10.534 -6.393 -12.264 1.00 0.00 N ATOM 239 CA ASP A 8 -10.673 -4.930 -12.114 1.00 0.00 C ATOM 240 C ASP A 8 -9.367 -4.318 -11.552 1.00 0.00 C ATOM 241 O ASP A 8 -8.484 -5.018 -11.099 1.00 0.00 O ATOM 242 CB ASP A 8 -11.861 -4.671 -11.178 1.00 0.00 C ATOM 243 CG ASP A 8 -11.517 -5.074 -9.733 1.00 0.00 C ATOM 244 OD1 ASP A 8 -11.710 -6.231 -9.401 1.00 0.00 O ATOM 245 OD2 ASP A 8 -11.071 -4.216 -8.991 1.00 0.00 O ATOM 0 H ASP A 8 -10.706 -6.927 -11.412 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.854 -4.458 -13.080 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.132 -3.616 -11.211 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.729 -5.234 -11.520 1.00 0.00 H new ATOM 250 N PHE A 9 -9.263 -3.013 -11.585 1.00 0.00 N ATOM 251 CA PHE A 9 -8.049 -2.309 -11.071 1.00 0.00 C ATOM 252 C PHE A 9 -8.163 -0.820 -11.412 1.00 0.00 C ATOM 253 O PHE A 9 -9.112 -0.390 -12.041 1.00 0.00 O ATOM 254 CB PHE A 9 -6.769 -2.890 -11.721 1.00 0.00 C ATOM 255 CG PHE A 9 -5.718 -3.142 -10.657 1.00 0.00 C ATOM 256 CD1 PHE A 9 -6.063 -3.801 -9.470 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.402 -2.715 -10.861 1.00 0.00 C ATOM 258 CE1 PHE A 9 -5.094 -4.033 -8.489 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.430 -2.948 -9.881 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.776 -3.607 -8.695 1.00 0.00 C ATOM 0 H PHE A 9 -9.984 -2.394 -11.955 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.983 -2.447 -9.992 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.004 -3.819 -12.240 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.383 -2.197 -12.468 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.079 -4.131 -9.312 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.136 -2.205 -11.775 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.362 -4.540 -7.574 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.413 -2.620 -10.040 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.026 -3.787 -7.939 1.00 0.00 H new ATOM 270 N LYS A 10 -7.202 -0.034 -11.000 1.00 0.00 N ATOM 271 CA LYS A 10 -7.246 1.435 -11.296 1.00 0.00 C ATOM 272 C LYS A 10 -5.848 1.967 -11.491 1.00 0.00 C ATOM 273 O LYS A 10 -4.877 1.392 -11.029 1.00 0.00 O ATOM 274 CB LYS A 10 -7.932 2.175 -10.136 1.00 0.00 C ATOM 275 CG LYS A 10 -9.363 2.544 -10.536 1.00 0.00 C ATOM 276 CD LYS A 10 -10.208 2.754 -9.277 1.00 0.00 C ATOM 277 CE LYS A 10 -10.564 1.395 -8.669 1.00 0.00 C ATOM 278 NZ LYS A 10 -10.726 1.537 -7.194 1.00 0.00 N ATOM 0 H LYS A 10 -6.387 -0.343 -10.471 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.814 1.597 -12.212 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.943 1.546 -9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.371 3.075 -9.883 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.360 3.451 -11.140 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.796 1.754 -11.149 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.658 3.355 -8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.117 3.303 -9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.485 1.017 -9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.782 0.669 -8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.968 0.614 -6.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.836 1.880 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.487 2.217 -6.992 1.00 0.00 H new ATOM 292 N ALA A 11 -5.740 3.071 -12.181 1.00 0.00 N ATOM 293 CA ALA A 11 -4.414 3.664 -12.428 1.00 0.00 C ATOM 294 C ALA A 11 -3.830 4.125 -11.088 1.00 0.00 C ATOM 295 O ALA A 11 -4.491 4.813 -10.330 1.00 0.00 O ATOM 296 CB ALA A 11 -4.544 4.851 -13.361 1.00 0.00 C ATOM 0 H ALA A 11 -6.525 3.584 -12.583 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.759 2.925 -12.890 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.559 5.284 -13.539 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.973 4.524 -14.308 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.193 5.600 -12.908 1.00 0.00 H new ATOM 302 N THR A 12 -2.614 3.743 -10.773 1.00 0.00 N ATOM 303 CA THR A 12 -2.026 4.158 -9.455 1.00 0.00 C ATOM 304 C THR A 12 -0.541 4.533 -9.586 1.00 0.00 C ATOM 305 O THR A 12 0.248 4.250 -8.697 1.00 0.00 O ATOM 306 CB THR A 12 -2.172 3.006 -8.457 1.00 0.00 C ATOM 307 OG1 THR A 12 -1.599 1.829 -9.010 1.00 0.00 O ATOM 308 CG2 THR A 12 -3.652 2.766 -8.164 1.00 0.00 C ATOM 0 H THR A 12 -2.009 3.170 -11.361 1.00 0.00 H new ATOM 0 HA THR A 12 -2.564 5.039 -9.106 1.00 0.00 H new ATOM 0 HB THR A 12 -1.659 3.260 -7.530 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.985 1.662 -9.895 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.754 1.946 -7.454 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.090 3.670 -7.740 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.169 2.511 -9.089 1.00 0.00 H new ATOM 316 N ALA A 13 -0.144 5.175 -10.660 1.00 0.00 N ATOM 317 CA ALA A 13 1.306 5.567 -10.797 1.00 0.00 C ATOM 318 C ALA A 13 1.473 6.828 -11.585 1.00 0.00 C ATOM 319 O ALA A 13 2.532 7.100 -12.118 1.00 0.00 O ATOM 320 CB ALA A 13 2.058 4.477 -11.492 1.00 0.00 C ATOM 0 H ALA A 13 -0.746 5.443 -11.439 1.00 0.00 H new ATOM 0 HA ALA A 13 1.693 5.730 -9.791 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.105 4.763 -11.590 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.985 3.557 -10.911 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.632 4.315 -12.482 1.00 0.00 H new ATOM 326 N ASP A 14 0.455 7.595 -11.659 1.00 0.00 N ATOM 327 CA ASP A 14 0.488 8.903 -12.419 1.00 0.00 C ATOM 328 C ASP A 14 0.430 8.670 -13.941 1.00 0.00 C ATOM 329 O ASP A 14 -0.024 9.525 -14.682 1.00 0.00 O ATOM 330 CB ASP A 14 1.752 9.693 -12.058 1.00 0.00 C ATOM 331 CG ASP A 14 1.588 11.152 -12.487 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.497 11.676 -12.333 1.00 0.00 O ATOM 333 OD2 ASP A 14 2.557 11.722 -12.960 1.00 0.00 O ATOM 0 H ASP A 14 -0.442 7.389 -11.220 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.392 9.479 -12.131 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.933 9.638 -10.985 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.620 9.254 -12.551 1.00 0.00 H new ATOM 338 N ASP A 15 0.860 7.524 -14.413 1.00 0.00 N ATOM 339 CA ASP A 15 0.806 7.230 -15.843 1.00 0.00 C ATOM 340 C ASP A 15 0.244 5.820 -16.023 1.00 0.00 C ATOM 341 O ASP A 15 0.537 5.143 -16.987 1.00 0.00 O ATOM 342 CB ASP A 15 2.214 7.309 -16.440 1.00 0.00 C ATOM 343 CG ASP A 15 2.546 8.764 -16.774 1.00 0.00 C ATOM 344 OD1 ASP A 15 2.094 9.231 -17.807 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.243 9.388 -15.991 1.00 0.00 O ATOM 0 H ASP A 15 1.251 6.777 -13.839 1.00 0.00 H new ATOM 0 HA ASP A 15 0.170 7.954 -16.352 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.943 6.912 -15.734 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.274 6.696 -17.339 1.00 0.00 H new ATOM 350 N GLU A 16 -0.567 5.373 -15.084 1.00 0.00 N ATOM 351 CA GLU A 16 -1.154 4.008 -15.176 1.00 0.00 C ATOM 352 C GLU A 16 -2.539 4.104 -15.817 1.00 0.00 C ATOM 353 O GLU A 16 -3.059 5.188 -16.021 1.00 0.00 O ATOM 354 CB GLU A 16 -1.267 3.422 -13.763 1.00 0.00 C ATOM 355 CG GLU A 16 -1.546 1.923 -13.844 1.00 0.00 C ATOM 356 CD GLU A 16 -1.079 1.239 -12.555 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.122 1.131 -12.367 1.00 0.00 O ATOM 358 OE2 GLU A 16 -1.929 0.834 -11.780 1.00 0.00 O ATOM 0 H GLU A 16 -0.843 5.904 -14.258 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.522 3.362 -15.785 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.344 3.600 -13.211 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.067 3.921 -13.216 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.612 1.749 -13.993 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.030 1.493 -14.702 1.00 0.00 H new ATOM 365 N LEU A 17 -3.137 2.984 -16.154 1.00 0.00 N ATOM 366 CA LEU A 17 -4.480 3.020 -16.799 1.00 0.00 C ATOM 367 C LEU A 17 -5.490 2.219 -15.974 1.00 0.00 C ATOM 368 O LEU A 17 -5.284 1.060 -15.665 1.00 0.00 O ATOM 369 CB LEU A 17 -4.363 2.435 -18.222 1.00 0.00 C ATOM 370 CG LEU A 17 -5.733 2.430 -18.923 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.158 3.874 -19.249 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.635 1.607 -20.224 1.00 0.00 C ATOM 0 H LEU A 17 -2.750 2.051 -16.009 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.832 4.050 -16.854 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.653 3.022 -18.805 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.971 1.419 -18.172 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.477 1.983 -18.264 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.128 3.864 -19.745 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.228 4.450 -18.326 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.419 4.331 -19.907 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.603 1.601 -20.724 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.890 2.054 -20.882 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.343 0.584 -19.986 1.00 0.00 H new ATOM 384 N SER A 18 -6.584 2.849 -15.613 1.00 0.00 N ATOM 385 CA SER A 18 -7.613 2.189 -14.818 1.00 0.00 C ATOM 386 C SER A 18 -8.510 1.321 -15.710 1.00 0.00 C ATOM 387 O SER A 18 -8.530 1.463 -16.918 1.00 0.00 O ATOM 388 CB SER A 18 -8.433 3.280 -14.153 1.00 0.00 C ATOM 389 OG SER A 18 -9.481 3.717 -15.018 1.00 0.00 O ATOM 0 H SER A 18 -6.791 3.818 -15.854 1.00 0.00 H new ATOM 0 HA SER A 18 -7.160 1.534 -14.074 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.856 2.907 -13.220 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.790 4.122 -13.898 1.00 0.00 H new ATOM 0 HG SER A 18 -10.001 4.419 -14.574 1.00 0.00 H new ATOM 395 N PHE A 19 -9.263 0.440 -15.109 1.00 0.00 N ATOM 396 CA PHE A 19 -10.188 -0.439 -15.885 1.00 0.00 C ATOM 397 C PHE A 19 -10.921 -1.361 -14.910 1.00 0.00 C ATOM 398 O PHE A 19 -10.560 -1.461 -13.760 1.00 0.00 O ATOM 399 CB PHE A 19 -9.395 -1.280 -16.904 1.00 0.00 C ATOM 400 CG PHE A 19 -8.373 -2.135 -16.190 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.764 -3.345 -15.609 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.039 -1.719 -16.112 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.820 -4.141 -14.947 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.095 -2.514 -15.451 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.486 -3.726 -14.870 1.00 0.00 C ATOM 0 H PHE A 19 -9.277 0.289 -14.100 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.906 0.175 -16.429 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.076 -1.913 -17.473 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.897 -0.625 -17.618 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.793 -3.666 -15.670 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.738 -0.784 -16.562 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.122 -5.075 -14.496 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.066 -2.192 -15.389 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.758 -4.341 -14.362 1.00 0.00 H new ATOM 415 N LYS A 20 -11.948 -2.024 -15.361 1.00 0.00 N ATOM 416 CA LYS A 20 -12.717 -2.938 -14.469 1.00 0.00 C ATOM 417 C LYS A 20 -12.623 -4.358 -14.992 1.00 0.00 C ATOM 418 O LYS A 20 -12.025 -4.617 -16.021 1.00 0.00 O ATOM 419 CB LYS A 20 -14.185 -2.518 -14.466 1.00 0.00 C ATOM 420 CG LYS A 20 -14.297 -1.029 -14.132 1.00 0.00 C ATOM 421 CD LYS A 20 -14.893 -0.848 -12.732 1.00 0.00 C ATOM 422 CE LYS A 20 -15.240 0.625 -12.514 1.00 0.00 C ATOM 423 NZ LYS A 20 -16.381 0.733 -11.561 1.00 0.00 N ATOM 0 H LYS A 20 -12.292 -1.972 -16.320 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.306 -2.886 -13.461 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.631 -2.716 -15.440 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.740 -3.107 -13.735 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.313 -0.562 -14.180 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.924 -0.529 -14.870 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.786 -1.463 -12.623 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.182 -1.181 -11.976 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.374 1.159 -12.123 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.500 1.092 -13.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.616 1.735 -11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.208 0.237 -11.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.116 0.302 -10.652 1.00 0.00 H new ATOM 437 N ARG A 21 -13.224 -5.279 -14.295 1.00 0.00 N ATOM 438 CA ARG A 21 -13.205 -6.689 -14.734 1.00 0.00 C ATOM 439 C ARG A 21 -14.110 -6.836 -15.956 1.00 0.00 C ATOM 440 O ARG A 21 -15.322 -6.762 -15.854 1.00 0.00 O ATOM 441 CB ARG A 21 -13.723 -7.544 -13.597 1.00 0.00 C ATOM 442 CG ARG A 21 -13.651 -9.012 -13.968 1.00 0.00 C ATOM 443 CD ARG A 21 -13.855 -9.821 -12.704 1.00 0.00 C ATOM 444 NE ARG A 21 -14.211 -11.225 -13.057 1.00 0.00 N ATOM 445 CZ ARG A 21 -14.586 -12.059 -12.127 1.00 0.00 C ATOM 446 NH1 ARG A 21 -13.913 -12.137 -11.010 1.00 0.00 N ATOM 447 NH2 ARG A 21 -15.632 -12.817 -12.312 1.00 0.00 N ATOM 0 H ARG A 21 -13.733 -5.106 -13.428 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.195 -7.002 -14.999 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.135 -7.360 -12.698 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.753 -7.270 -13.367 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.415 -9.257 -14.706 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.686 -9.245 -14.419 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.947 -9.807 -12.101 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.646 -9.376 -12.100 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.161 -11.534 -14.028 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.095 -11.546 -10.865 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.206 -12.789 -10.283 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.157 -12.758 -13.184 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.925 -13.469 -11.584 1.00 0.00 H new ATOM 461 N GLY A 22 -13.530 -7.022 -17.109 1.00 0.00 N ATOM 462 CA GLY A 22 -14.344 -7.152 -18.354 1.00 0.00 C ATOM 463 C GLY A 22 -14.134 -5.911 -19.245 1.00 0.00 C ATOM 464 O GLY A 22 -14.770 -5.766 -20.274 1.00 0.00 O ATOM 0 H GLY A 22 -12.521 -7.090 -17.245 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.056 -8.053 -18.896 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.399 -7.255 -18.101 1.00 0.00 H new ATOM 468 N ASP A 23 -13.236 -5.020 -18.860 1.00 0.00 N ATOM 469 CA ASP A 23 -12.971 -3.832 -19.649 1.00 0.00 C ATOM 470 C ASP A 23 -11.714 -4.085 -20.450 1.00 0.00 C ATOM 471 O ASP A 23 -10.614 -4.028 -19.931 1.00 0.00 O ATOM 472 CB ASP A 23 -12.763 -2.639 -18.717 1.00 0.00 C ATOM 473 CG ASP A 23 -13.713 -1.500 -19.099 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.834 -1.793 -19.483 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.304 -0.355 -19.001 1.00 0.00 O ATOM 0 H ASP A 23 -12.680 -5.097 -18.008 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.807 -3.613 -20.314 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.940 -2.939 -17.684 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.730 -2.297 -18.777 1.00 0.00 H new ATOM 480 N ILE A 24 -11.867 -4.383 -21.691 1.00 0.00 N ATOM 481 CA ILE A 24 -10.686 -4.672 -22.544 1.00 0.00 C ATOM 482 C ILE A 24 -9.972 -3.363 -22.877 1.00 0.00 C ATOM 483 O ILE A 24 -10.590 -2.351 -23.151 1.00 0.00 O ATOM 484 CB ILE A 24 -11.128 -5.407 -23.816 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.162 -6.510 -23.428 1.00 0.00 C ATOM 486 CG2 ILE A 24 -9.886 -6.040 -24.454 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.409 -7.465 -24.593 1.00 0.00 C ATOM 0 H ILE A 24 -12.768 -4.442 -22.166 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.990 -5.319 -22.010 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.594 -4.722 -24.524 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.796 -7.069 -22.567 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.101 -6.044 -23.130 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.173 -6.570 -25.362 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.166 -5.260 -24.702 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.434 -6.741 -23.753 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.133 -8.223 -24.295 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.798 -6.907 -25.445 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.473 -7.948 -24.872 1.00 0.00 H new ATOM 499 N LEU A 25 -8.667 -3.384 -22.830 1.00 0.00 N ATOM 500 CA LEU A 25 -7.871 -2.155 -23.110 1.00 0.00 C ATOM 501 C LEU A 25 -7.404 -2.162 -24.562 1.00 0.00 C ATOM 502 O LEU A 25 -7.382 -3.198 -25.213 1.00 0.00 O ATOM 503 CB LEU A 25 -6.624 -2.104 -22.184 1.00 0.00 C ATOM 504 CG LEU A 25 -6.948 -2.513 -20.705 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.311 -1.971 -20.260 1.00 0.00 C ATOM 506 CD2 LEU A 25 -6.940 -4.037 -20.569 1.00 0.00 C ATOM 0 H LEU A 25 -8.113 -4.211 -22.607 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.500 -1.284 -22.926 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.856 -2.768 -22.580 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.210 -1.096 -22.195 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.179 -2.080 -20.065 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.504 -2.273 -19.231 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.309 -0.883 -20.325 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.091 -2.371 -20.908 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.166 -4.312 -19.539 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.692 -4.465 -21.232 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.957 -4.421 -20.839 1.00 0.00 H new ATOM 518 N LYS A 26 -7.016 -1.012 -25.073 1.00 0.00 N ATOM 519 CA LYS A 26 -6.532 -0.948 -26.499 1.00 0.00 C ATOM 520 C LYS A 26 -5.010 -0.771 -26.505 1.00 0.00 C ATOM 521 O LYS A 26 -4.509 0.326 -26.379 1.00 0.00 O ATOM 522 CB LYS A 26 -7.188 0.237 -27.210 1.00 0.00 C ATOM 523 CG LYS A 26 -7.353 -0.088 -28.694 1.00 0.00 C ATOM 524 CD LYS A 26 -8.591 0.624 -29.241 1.00 0.00 C ATOM 525 CE LYS A 26 -8.360 0.991 -30.707 1.00 0.00 C ATOM 526 NZ LYS A 26 -8.738 -0.161 -31.574 1.00 0.00 N ATOM 0 H LYS A 26 -7.013 -0.123 -24.572 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.796 -1.869 -27.018 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.159 0.451 -26.763 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.577 1.132 -27.088 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.467 0.226 -29.246 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.450 -1.165 -28.832 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.465 -0.021 -29.150 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.795 1.522 -28.658 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.951 1.868 -30.971 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.314 1.252 -30.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.581 0.089 -32.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.155 -0.987 -31.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.742 -0.390 -31.429 1.00 0.00 H new ATOM 540 N VAL A 27 -4.265 -1.847 -26.641 1.00 0.00 N ATOM 541 CA VAL A 27 -2.771 -1.735 -26.626 1.00 0.00 C ATOM 542 C VAL A 27 -2.295 -0.789 -27.729 1.00 0.00 C ATOM 543 O VAL A 27 -2.290 -1.125 -28.897 1.00 0.00 O ATOM 544 CB VAL A 27 -2.139 -3.127 -26.801 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.609 -3.012 -26.744 1.00 0.00 C ATOM 546 CG2 VAL A 27 -2.614 -4.044 -25.663 1.00 0.00 C ATOM 0 H VAL A 27 -4.627 -2.793 -26.761 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.458 -1.325 -25.666 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.438 -3.541 -27.764 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.165 -4.000 -26.868 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.263 -2.356 -27.543 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.311 -2.599 -25.780 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.169 -5.032 -25.782 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.310 -3.622 -24.705 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.700 -4.129 -25.694 1.00 0.00 H new ATOM 556 N LEU A 28 -1.872 0.390 -27.345 1.00 0.00 N ATOM 557 CA LEU A 28 -1.367 1.373 -28.334 1.00 0.00 C ATOM 558 C LEU A 28 0.102 1.079 -28.572 1.00 0.00 C ATOM 559 O LEU A 28 0.624 1.318 -29.647 1.00 0.00 O ATOM 560 CB LEU A 28 -1.474 2.831 -27.807 1.00 0.00 C ATOM 561 CG LEU A 28 -2.710 3.031 -26.895 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.248 3.449 -25.481 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.619 4.130 -27.483 1.00 0.00 C ATOM 0 H LEU A 28 -1.858 0.710 -26.377 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.964 1.286 -29.241 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.570 3.083 -27.252 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.532 3.518 -28.651 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.266 2.096 -26.835 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.119 3.589 -24.840 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.611 2.671 -25.062 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.688 4.382 -25.542 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.487 4.267 -26.838 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.063 5.066 -27.548 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.950 3.835 -28.479 1.00 0.00 H new ATOM 575 N ASN A 29 0.797 0.572 -27.561 1.00 0.00 N ATOM 576 CA ASN A 29 2.261 0.286 -27.745 1.00 0.00 C ATOM 577 C ASN A 29 2.880 -0.279 -26.447 1.00 0.00 C ATOM 578 O ASN A 29 2.196 -0.818 -25.593 1.00 0.00 O ATOM 579 CB ASN A 29 2.979 1.601 -28.141 1.00 0.00 C ATOM 580 CG ASN A 29 3.814 1.380 -29.406 1.00 0.00 C ATOM 581 OD1 ASN A 29 3.877 2.238 -30.264 1.00 0.00 O ATOM 582 ND2 ASN A 29 4.462 0.258 -29.557 1.00 0.00 N ATOM 0 H ASN A 29 0.418 0.351 -26.640 1.00 0.00 H new ATOM 0 HA ASN A 29 2.383 -0.461 -28.529 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.245 2.389 -28.312 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.620 1.935 -27.325 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.022 0.101 -30.395 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.409 -0.462 -28.837 1.00 0.00 H new ATOM 673 N TRP A 36 3.650 -5.787 -18.101 1.00 0.00 N ATOM 674 CA TRP A 36 2.555 -4.728 -18.271 1.00 0.00 C ATOM 675 C TRP A 36 2.533 -4.282 -19.748 1.00 0.00 C ATOM 676 O TRP A 36 3.362 -4.689 -20.537 1.00 0.00 O ATOM 677 CB TRP A 36 2.775 -3.477 -17.375 1.00 0.00 C ATOM 678 CG TRP A 36 2.950 -3.858 -15.928 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.888 -4.704 -15.468 1.00 0.00 C ATOM 680 CD2 TRP A 36 2.207 -3.393 -14.742 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.777 -4.801 -14.093 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.769 -4.013 -13.599 1.00 0.00 C ATOM 683 CE3 TRP A 36 1.117 -2.507 -14.538 1.00 0.00 C ATOM 684 CZ2 TRP A 36 2.288 -3.770 -12.312 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.637 -2.264 -13.231 1.00 0.00 C ATOM 686 CH2 TRP A 36 1.226 -2.891 -12.127 1.00 0.00 C ATOM 0 HA TRP A 36 1.611 -5.180 -17.968 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.655 -2.933 -17.718 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.924 -2.803 -17.474 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.613 -5.225 -16.076 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.375 -5.390 -13.514 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.654 -2.018 -15.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.738 -4.262 -11.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.192 -1.588 -13.083 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.856 -2.692 -11.132 1.00 0.00 H new ATOM 697 N TYR A 37 1.588 -3.447 -20.119 1.00 0.00 N ATOM 698 CA TYR A 37 1.493 -2.967 -21.544 1.00 0.00 C ATOM 699 C TYR A 37 1.035 -1.515 -21.569 1.00 0.00 C ATOM 700 O TYR A 37 0.529 -1.010 -20.604 1.00 0.00 O ATOM 701 CB TYR A 37 0.404 -3.733 -22.302 1.00 0.00 C ATOM 702 CG TYR A 37 0.649 -5.217 -22.344 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.922 -5.729 -22.613 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.432 -6.085 -22.145 1.00 0.00 C ATOM 705 CE1 TYR A 37 2.113 -7.115 -22.681 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.247 -7.463 -22.208 1.00 0.00 C ATOM 707 CZ TYR A 37 1.028 -7.984 -22.478 1.00 0.00 C ATOM 708 OH TYR A 37 1.216 -9.348 -22.551 1.00 0.00 O ATOM 0 H TYR A 37 0.873 -3.074 -19.494 1.00 0.00 H new ATOM 0 HA TYR A 37 2.476 -3.107 -21.994 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.561 -3.543 -21.831 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.342 -3.352 -23.321 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.755 -5.059 -22.768 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.414 -5.683 -21.942 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.094 -7.515 -22.889 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.082 -8.129 -22.050 1.00 0.00 H new ATOM 0 HH TYR A 37 2.174 -9.549 -22.511 1.00 0.00 H new ATOM 718 N LYS A 38 1.125 -0.871 -22.706 1.00 0.00 N ATOM 719 CA LYS A 38 0.599 0.511 -22.814 1.00 0.00 C ATOM 720 C LYS A 38 -0.686 0.404 -23.637 1.00 0.00 C ATOM 721 O LYS A 38 -0.695 -0.195 -24.699 1.00 0.00 O ATOM 722 CB LYS A 38 1.608 1.423 -23.509 1.00 0.00 C ATOM 723 CG LYS A 38 1.029 2.835 -23.608 1.00 0.00 C ATOM 724 CD LYS A 38 1.210 3.375 -25.030 1.00 0.00 C ATOM 725 CE LYS A 38 1.891 4.740 -24.965 1.00 0.00 C ATOM 726 NZ LYS A 38 1.565 5.521 -26.192 1.00 0.00 N ATOM 0 H LYS A 38 1.540 -1.247 -23.558 1.00 0.00 H new ATOM 0 HA LYS A 38 0.412 0.944 -21.831 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.544 1.440 -22.951 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.836 1.041 -24.504 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.029 2.823 -23.346 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.526 3.492 -22.894 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.810 2.683 -25.621 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.243 3.461 -25.525 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.560 5.281 -24.079 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.970 4.615 -24.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.030 6.450 -26.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.902 5.007 -27.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.535 5.652 -26.257 1.00 0.00 H new ATOM 740 N ALA A 39 -1.778 0.925 -23.140 1.00 0.00 N ATOM 741 CA ALA A 39 -3.071 0.787 -23.883 1.00 0.00 C ATOM 742 C ALA A 39 -4.012 1.888 -23.550 1.00 0.00 C ATOM 743 O ALA A 39 -3.648 2.863 -22.926 1.00 0.00 O ATOM 744 CB ALA A 39 -3.673 -0.555 -23.538 1.00 0.00 C ATOM 0 H ALA A 39 -1.833 1.436 -22.259 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.881 0.849 -24.954 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.617 -0.678 -24.069 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.986 -1.348 -23.832 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.851 -0.609 -22.464 1.00 0.00 H new ATOM 750 N GLU A 40 -5.220 1.785 -24.037 1.00 0.00 N ATOM 751 CA GLU A 40 -6.161 2.881 -23.823 1.00 0.00 C ATOM 752 C GLU A 40 -7.627 2.426 -23.810 1.00 0.00 C ATOM 753 O GLU A 40 -8.095 1.688 -24.650 1.00 0.00 O ATOM 754 CB GLU A 40 -5.866 3.922 -24.924 1.00 0.00 C ATOM 755 CG GLU A 40 -7.043 4.126 -25.905 1.00 0.00 C ATOM 756 CD GLU A 40 -6.722 5.276 -26.862 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.506 6.377 -26.384 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.696 5.035 -28.059 1.00 0.00 O ATOM 0 H GLU A 40 -5.578 0.990 -24.567 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.022 3.314 -22.833 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.623 4.876 -24.456 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.985 3.608 -25.484 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.223 3.210 -26.468 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.957 4.344 -25.352 1.00 0.00 H new ATOM 765 N LEU A 41 -8.330 2.934 -22.865 1.00 0.00 N ATOM 766 CA LEU A 41 -9.785 2.632 -22.723 1.00 0.00 C ATOM 767 C LEU A 41 -10.625 3.739 -23.261 1.00 0.00 C ATOM 768 O LEU A 41 -10.947 4.698 -22.594 1.00 0.00 O ATOM 769 CB LEU A 41 -10.153 2.380 -21.277 1.00 0.00 C ATOM 770 CG LEU A 41 -10.003 0.916 -21.011 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.832 0.683 -19.506 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.254 0.203 -21.523 1.00 0.00 C ATOM 0 H LEU A 41 -7.959 3.567 -22.156 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.980 1.729 -23.302 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.508 2.956 -20.614 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.177 2.700 -21.083 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.124 0.524 -21.522 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.723 -0.384 -19.313 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.943 1.208 -19.155 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.708 1.059 -18.978 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.164 -0.867 -21.338 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.131 0.589 -21.003 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.360 0.379 -22.593 1.00 0.00 H new ATOM 784 N ASN A 42 -11.023 3.559 -24.460 1.00 0.00 N ATOM 785 CA ASN A 42 -11.917 4.527 -25.152 1.00 0.00 C ATOM 786 C ASN A 42 -11.555 6.016 -24.893 1.00 0.00 C ATOM 787 O ASN A 42 -12.403 6.883 -25.022 1.00 0.00 O ATOM 788 CB ASN A 42 -13.323 4.291 -24.657 1.00 0.00 C ATOM 789 CG ASN A 42 -14.026 3.261 -25.547 1.00 0.00 C ATOM 790 OD1 ASN A 42 -13.385 2.419 -26.144 1.00 0.00 O ATOM 791 ND2 ASN A 42 -15.325 3.294 -25.662 1.00 0.00 N ATOM 0 H ASN A 42 -10.764 2.752 -25.027 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.808 4.358 -26.223 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.300 3.938 -23.626 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.881 5.228 -24.660 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.802 2.613 -26.253 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -15.864 4.001 -25.161 1.00 0.00 H new ATOM 798 N GLY A 43 -10.342 6.317 -24.536 1.00 0.00 N ATOM 799 CA GLY A 43 -9.970 7.750 -24.278 1.00 0.00 C ATOM 800 C GLY A 43 -8.830 7.826 -23.264 1.00 0.00 C ATOM 801 O GLY A 43 -7.921 8.627 -23.406 1.00 0.00 O ATOM 0 H GLY A 43 -9.588 5.642 -24.409 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.670 8.229 -25.210 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.836 8.296 -23.904 1.00 0.00 H new ATOM 805 N LYS A 44 -8.851 6.985 -22.252 1.00 0.00 N ATOM 806 CA LYS A 44 -7.778 6.987 -21.263 1.00 0.00 C ATOM 807 C LYS A 44 -6.703 6.087 -21.758 1.00 0.00 C ATOM 808 O LYS A 44 -6.862 5.411 -22.752 1.00 0.00 O ATOM 809 CB LYS A 44 -8.278 6.477 -19.922 1.00 0.00 C ATOM 810 CG LYS A 44 -8.786 7.651 -19.105 1.00 0.00 C ATOM 811 CD LYS A 44 -9.674 7.142 -17.966 1.00 0.00 C ATOM 812 CE LYS A 44 -10.928 6.478 -18.548 1.00 0.00 C ATOM 813 NZ LYS A 44 -12.106 6.805 -17.695 1.00 0.00 N ATOM 0 H LYS A 44 -9.586 6.297 -22.087 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.410 8.004 -21.125 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.075 5.748 -20.070 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.475 5.967 -19.390 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.946 8.215 -18.700 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.350 8.333 -19.742 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.123 6.428 -17.353 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.957 7.969 -17.315 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.096 6.825 -19.567 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.790 5.398 -18.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.956 6.355 -18.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.944 6.453 -16.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.241 7.836 -17.669 1.00 0.00 H new ATOM 827 N ASP A 45 -5.610 6.077 -21.089 1.00 0.00 N ATOM 828 CA ASP A 45 -4.496 5.232 -21.515 1.00 0.00 C ATOM 829 C ASP A 45 -3.392 5.144 -20.438 1.00 0.00 C ATOM 830 O ASP A 45 -3.477 5.738 -19.380 1.00 0.00 O ATOM 831 CB ASP A 45 -3.964 5.819 -22.842 1.00 0.00 C ATOM 832 CG ASP A 45 -2.758 6.770 -22.636 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.860 7.651 -21.798 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.765 6.590 -23.321 1.00 0.00 O ATOM 0 H ASP A 45 -5.438 6.629 -20.249 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.834 4.206 -21.663 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.669 5.004 -23.503 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.767 6.361 -23.342 1.00 0.00 H new ATOM 839 N GLY A 46 -2.346 4.416 -20.745 1.00 0.00 N ATOM 840 CA GLY A 46 -1.200 4.283 -19.805 1.00 0.00 C ATOM 841 C GLY A 46 -0.853 2.805 -19.574 1.00 0.00 C ATOM 842 O GLY A 46 -1.373 1.926 -20.220 1.00 0.00 O ATOM 0 H GLY A 46 -2.241 3.903 -21.620 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.332 4.807 -20.206 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.447 4.756 -18.855 1.00 0.00 H new ATOM 846 N PHE A 47 0.053 2.538 -18.661 1.00 0.00 N ATOM 847 CA PHE A 47 0.480 1.128 -18.392 1.00 0.00 C ATOM 848 C PHE A 47 -0.703 0.273 -17.925 1.00 0.00 C ATOM 849 O PHE A 47 -1.676 0.775 -17.402 1.00 0.00 O ATOM 850 CB PHE A 47 1.556 1.127 -17.302 1.00 0.00 C ATOM 851 CG PHE A 47 2.876 1.565 -17.889 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.133 2.925 -18.096 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.844 0.611 -18.222 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.358 3.331 -18.639 1.00 0.00 C ATOM 855 CE2 PHE A 47 5.069 1.017 -18.764 1.00 0.00 C ATOM 856 CZ PHE A 47 5.326 2.377 -18.972 1.00 0.00 C ATOM 0 H PHE A 47 0.517 3.242 -18.087 1.00 0.00 H new ATOM 0 HA PHE A 47 0.872 0.705 -19.317 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.267 1.797 -16.492 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.651 0.130 -16.872 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.387 3.661 -17.837 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.646 -0.438 -18.061 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.556 4.380 -18.801 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.816 0.281 -19.022 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.272 2.690 -19.390 1.00 0.00 H new ATOM 866 N ILE A 48 -0.610 -1.028 -18.100 1.00 0.00 N ATOM 867 CA ILE A 48 -1.701 -1.936 -17.657 1.00 0.00 C ATOM 868 C ILE A 48 -1.063 -3.291 -17.272 1.00 0.00 C ATOM 869 O ILE A 48 -0.527 -3.963 -18.124 1.00 0.00 O ATOM 870 CB ILE A 48 -2.725 -2.150 -18.794 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.007 -2.317 -20.141 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.656 -0.942 -18.868 1.00 0.00 C ATOM 873 CD1 ILE A 48 -2.969 -2.932 -21.158 1.00 0.00 C ATOM 0 H ILE A 48 0.185 -1.495 -18.535 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.225 -1.498 -16.807 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.298 -3.053 -18.585 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.652 -1.350 -20.498 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.131 -2.954 -20.022 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.380 -1.089 -19.669 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.182 -0.829 -17.920 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.072 -0.044 -19.068 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.460 -3.051 -22.115 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.302 -3.906 -20.801 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.832 -2.278 -21.285 1.00 0.00 H new ATOM 885 N PRO A 49 -1.123 -3.675 -16.001 1.00 0.00 N ATOM 886 CA PRO A 49 -0.527 -4.937 -15.569 1.00 0.00 C ATOM 887 C PRO A 49 -1.222 -6.118 -16.222 1.00 0.00 C ATOM 888 O PRO A 49 -2.343 -6.421 -15.946 1.00 0.00 O ATOM 889 CB PRO A 49 -0.670 -4.941 -14.049 1.00 0.00 C ATOM 890 CG PRO A 49 -1.787 -3.914 -13.726 1.00 0.00 C ATOM 891 CD PRO A 49 -1.803 -2.932 -14.926 1.00 0.00 C ATOM 0 HA PRO A 49 0.519 -5.028 -15.863 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.934 -5.933 -13.684 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.268 -4.663 -13.567 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.752 -4.407 -13.609 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.581 -3.390 -12.792 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.821 -2.663 -15.208 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.282 -2.004 -14.690 1.00 0.00 H new ATOM 899 N LYS A 50 -0.521 -6.751 -17.107 1.00 0.00 N ATOM 900 CA LYS A 50 -1.027 -7.930 -17.866 1.00 0.00 C ATOM 901 C LYS A 50 -1.639 -9.017 -16.948 1.00 0.00 C ATOM 902 O LYS A 50 -2.359 -9.870 -17.420 1.00 0.00 O ATOM 903 CB LYS A 50 0.168 -8.510 -18.594 1.00 0.00 C ATOM 904 CG LYS A 50 -0.242 -9.625 -19.527 1.00 0.00 C ATOM 905 CD LYS A 50 1.030 -10.354 -19.937 1.00 0.00 C ATOM 906 CE LYS A 50 0.702 -11.479 -20.926 1.00 0.00 C ATOM 907 NZ LYS A 50 0.784 -12.794 -20.228 1.00 0.00 N ATOM 0 H LYS A 50 0.434 -6.488 -17.351 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.822 -7.611 -18.540 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.667 -7.724 -19.161 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.890 -8.887 -17.869 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.934 -10.306 -19.033 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.757 -9.226 -20.401 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.729 -9.652 -20.392 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.521 -10.767 -19.056 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.297 -11.336 -21.338 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.399 -11.456 -21.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.562 -13.557 -20.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.745 -12.930 -19.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.102 -12.813 -19.443 1.00 0.00 H new ATOM 921 N ASN A 51 -1.351 -9.014 -15.657 1.00 0.00 N ATOM 922 CA ASN A 51 -1.914 -10.039 -14.766 1.00 0.00 C ATOM 923 C ASN A 51 -3.436 -9.906 -14.719 1.00 0.00 C ATOM 924 O ASN A 51 -4.154 -10.879 -14.591 1.00 0.00 O ATOM 925 CB ASN A 51 -1.324 -9.856 -13.407 1.00 0.00 C ATOM 926 CG ASN A 51 -0.044 -10.688 -13.271 1.00 0.00 C ATOM 927 OD1 ASN A 51 -0.104 -11.889 -13.098 1.00 0.00 O ATOM 928 ND2 ASN A 51 1.117 -10.096 -13.342 1.00 0.00 N ATOM 0 H ASN A 51 -0.745 -8.332 -15.201 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.675 -11.036 -15.135 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.102 -8.802 -13.238 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.044 -10.156 -12.646 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.974 -10.642 -13.252 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.167 -9.088 -13.487 1.00 0.00 H new ATOM 935 N TYR A 52 -3.921 -8.709 -14.871 1.00 0.00 N ATOM 936 CA TYR A 52 -5.383 -8.462 -14.898 1.00 0.00 C ATOM 937 C TYR A 52 -5.782 -8.363 -16.349 1.00 0.00 C ATOM 938 O TYR A 52 -6.674 -7.603 -16.704 1.00 0.00 O ATOM 939 CB TYR A 52 -5.702 -7.098 -14.241 1.00 0.00 C ATOM 940 CG TYR A 52 -5.336 -7.031 -12.812 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.018 -7.209 -12.402 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.319 -6.718 -11.895 1.00 0.00 C ATOM 943 CE1 TYR A 52 -3.696 -7.086 -11.068 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.005 -6.586 -10.565 1.00 0.00 C ATOM 945 CZ TYR A 52 -4.688 -6.772 -10.136 1.00 0.00 C ATOM 946 OH TYR A 52 -4.366 -6.635 -8.803 1.00 0.00 O ATOM 0 H TYR A 52 -3.349 -7.871 -14.980 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.908 -9.257 -14.369 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.174 -6.312 -14.780 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.768 -6.895 -14.345 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.251 -7.442 -13.126 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.338 -6.577 -12.225 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.677 -7.232 -10.743 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.776 -6.338 -9.850 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.117 -5.705 -8.621 1.00 0.00 H new ATOM 956 N ILE A 53 -5.097 -9.071 -17.222 1.00 0.00 N ATOM 957 CA ILE A 53 -5.415 -8.946 -18.644 1.00 0.00 C ATOM 958 C ILE A 53 -4.950 -10.160 -19.460 1.00 0.00 C ATOM 959 O ILE A 53 -4.257 -11.038 -18.988 1.00 0.00 O ATOM 960 CB ILE A 53 -4.722 -7.704 -19.256 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.338 -6.664 -18.196 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.648 -7.045 -20.261 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.474 -5.610 -18.846 1.00 0.00 C ATOM 0 H ILE A 53 -4.342 -9.718 -16.994 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.501 -8.863 -18.695 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.808 -8.055 -19.736 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.233 -6.210 -17.770 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.801 -7.140 -17.376 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.157 -6.171 -20.690 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.887 -7.753 -21.055 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.567 -6.737 -19.762 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.192 -4.862 -18.105 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.576 -6.075 -19.252 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.030 -5.130 -19.652 1.00 0.00 H new ATOM 975 N GLU A 54 -5.292 -10.135 -20.719 1.00 0.00 N ATOM 976 CA GLU A 54 -4.880 -11.162 -21.675 1.00 0.00 C ATOM 977 C GLU A 54 -4.829 -10.477 -23.042 1.00 0.00 C ATOM 978 O GLU A 54 -5.481 -9.470 -23.253 1.00 0.00 O ATOM 979 CB GLU A 54 -5.857 -12.312 -21.697 1.00 0.00 C ATOM 980 CG GLU A 54 -5.237 -13.544 -21.027 1.00 0.00 C ATOM 981 CD GLU A 54 -4.281 -14.232 -22.002 1.00 0.00 C ATOM 982 OE1 GLU A 54 -4.749 -14.700 -23.028 1.00 0.00 O ATOM 983 OE2 GLU A 54 -3.099 -14.280 -21.708 1.00 0.00 O ATOM 0 H GLU A 54 -5.870 -9.400 -21.128 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.912 -11.581 -21.400 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.774 -12.030 -21.180 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.131 -12.547 -22.726 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.702 -13.249 -20.125 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.021 -14.237 -20.721 1.00 0.00 H new ATOM 990 N MET A 55 -4.045 -10.981 -23.942 1.00 0.00 N ATOM 991 CA MET A 55 -3.896 -10.306 -25.281 1.00 0.00 C ATOM 992 C MET A 55 -4.824 -10.872 -26.354 1.00 0.00 C ATOM 993 O MET A 55 -4.657 -11.990 -26.810 1.00 0.00 O ATOM 994 CB MET A 55 -2.451 -10.464 -25.752 1.00 0.00 C ATOM 995 CG MET A 55 -2.131 -9.388 -26.788 1.00 0.00 C ATOM 996 SD MET A 55 -0.599 -9.817 -27.650 1.00 0.00 S ATOM 997 CE MET A 55 -1.360 -10.651 -29.062 1.00 0.00 C ATOM 0 H MET A 55 -3.494 -11.831 -23.822 1.00 0.00 H new ATOM 0 HA MET A 55 -4.168 -9.260 -25.142 1.00 0.00 H new ATOM 0 HB2 MET A 55 -1.770 -10.382 -24.905 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.304 -11.454 -26.184 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.950 -9.300 -27.502 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.027 -8.418 -26.301 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.582 -11.005 -29.738 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.948 -11.499 -28.710 1.00 0.00 H new ATOM 0 HE3 MET A 55 -2.010 -9.953 -29.590 1.00 0.00 H new ATOM 1007 N LYS A 56 -5.785 -10.082 -26.793 1.00 0.00 N ATOM 1008 CA LYS A 56 -6.691 -10.517 -27.847 1.00 0.00 C ATOM 1009 C LYS A 56 -6.333 -9.848 -29.187 1.00 0.00 C ATOM 1010 O LYS A 56 -5.805 -8.733 -29.210 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.094 -10.177 -27.455 1.00 0.00 C ATOM 1012 CG LYS A 56 -8.681 -11.356 -26.693 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.222 -11.303 -26.707 1.00 0.00 C ATOM 1014 CE LYS A 56 -10.722 -9.974 -26.126 1.00 0.00 C ATOM 1015 NZ LYS A 56 -11.374 -9.185 -27.211 1.00 0.00 N ATOM 0 H LYS A 56 -5.961 -9.141 -26.441 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.597 -11.595 -27.977 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.107 -9.281 -26.835 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.693 -9.962 -28.340 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.340 -12.290 -27.140 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.321 -11.345 -25.664 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.586 -11.420 -27.728 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.625 -12.134 -26.128 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.429 -10.159 -25.318 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.890 -9.413 -25.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.290 -8.170 -27.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.908 -9.391 -28.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.380 -9.444 -27.272 1.00 0.00 H new