USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 ASN : amide:sc= -2.27 K(o=-1.1,f=-9.8!) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -159:sc= 1.15 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.05 (180deg=0.835) 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 -119:sc= 0.342 USER MOD Single : A 18 SER OG : rot 180:sc= 0.157 USER MOD Single : A 20 LYS NZ :NH3+ -140:sc= 0.146 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -115:sc= 1.01 (180deg=-0.25) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.921 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,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=-0.00997 X(o=-0.01,f=0) USER MOD Single : A 52 TYR OH : rot 94:sc= 1.93 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 142:sc= -0.825 (180deg=-4.01!) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -3.852 -3.698 -30.874 1.00 0.00 N ATOM 125 CA MET A 1 -4.683 -4.881 -30.514 1.00 0.00 C ATOM 126 C MET A 1 -5.440 -4.578 -29.248 1.00 0.00 C ATOM 127 O MET A 1 -5.440 -3.454 -28.779 1.00 0.00 O ATOM 128 CB MET A 1 -3.791 -6.103 -30.301 1.00 0.00 C ATOM 129 CG MET A 1 -3.634 -6.839 -31.619 1.00 0.00 C ATOM 130 SD MET A 1 -2.651 -5.840 -32.765 1.00 0.00 S ATOM 131 CE MET A 1 -3.061 -6.754 -34.271 1.00 0.00 C ATOM 0 H1 MET A 1 -3.189 -3.957 -31.632 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.469 -2.927 -31.202 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.317 -3.383 -30.040 1.00 0.00 H new ATOM 0 HA MET A 1 -5.382 -5.095 -31.322 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.816 -5.795 -29.924 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.229 -6.762 -29.552 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.150 -7.801 -31.453 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.614 -7.045 -32.050 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.552 -6.301 -35.122 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.740 -7.791 -34.166 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.138 -6.722 -34.434 1.00 0.00 H new ATOM 141 N GLU A 2 -6.090 -5.560 -28.678 1.00 0.00 N ATOM 142 CA GLU A 2 -6.833 -5.324 -27.454 1.00 0.00 C ATOM 143 C GLU A 2 -6.412 -6.376 -26.455 1.00 0.00 C ATOM 144 O GLU A 2 -5.644 -7.267 -26.765 1.00 0.00 O ATOM 145 CB GLU A 2 -8.327 -5.456 -27.753 1.00 0.00 C ATOM 146 CG GLU A 2 -9.075 -4.217 -27.257 1.00 0.00 C ATOM 147 CD GLU A 2 -10.429 -4.121 -27.961 1.00 0.00 C ATOM 148 OE1 GLU A 2 -11.146 -5.108 -27.961 1.00 0.00 O ATOM 149 OE2 GLU A 2 -10.728 -3.060 -28.486 1.00 0.00 O ATOM 0 H GLU A 2 -6.124 -6.517 -29.029 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.637 -4.328 -27.056 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.482 -5.579 -28.825 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.725 -6.348 -27.270 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.218 -4.273 -26.178 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.487 -3.321 -27.454 1.00 0.00 H new ATOM 156 N ALA A 3 -6.910 -6.284 -25.278 1.00 0.00 N ATOM 157 CA ALA A 3 -6.569 -7.285 -24.231 1.00 0.00 C ATOM 158 C ALA A 3 -7.667 -7.341 -23.181 1.00 0.00 C ATOM 159 O ALA A 3 -7.924 -6.393 -22.476 1.00 0.00 O ATOM 160 CB ALA A 3 -5.267 -6.922 -23.587 1.00 0.00 C ATOM 0 H ALA A 3 -7.551 -5.550 -24.978 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.478 -8.266 -24.697 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.022 -7.658 -22.821 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.480 -6.907 -24.341 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.350 -5.936 -23.129 1.00 0.00 H new ATOM 166 N ILE A 4 -8.319 -8.451 -23.095 1.00 0.00 N ATOM 167 CA ILE A 4 -9.436 -8.619 -22.128 1.00 0.00 C ATOM 168 C ILE A 4 -8.975 -8.436 -20.706 1.00 0.00 C ATOM 169 O ILE A 4 -8.191 -9.200 -20.191 1.00 0.00 O ATOM 170 CB ILE A 4 -10.026 -10.017 -22.290 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.037 -10.313 -21.157 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.919 -11.063 -22.274 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.286 -10.875 -21.754 1.00 0.00 C ATOM 0 H ILE A 4 -8.125 -9.274 -23.666 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.186 -7.857 -22.338 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.545 -10.060 -23.248 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.609 -11.019 -20.446 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.261 -9.400 -20.605 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.354 -12.055 -22.390 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.226 -10.872 -23.094 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.383 -11.011 -21.326 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.004 -11.087 -20.962 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.714 -10.153 -22.449 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.052 -11.796 -22.287 1.00 0.00 H new ATOM 185 N ALA A 5 -9.537 -7.471 -20.055 1.00 0.00 N ATOM 186 CA ALA A 5 -9.217 -7.257 -18.606 1.00 0.00 C ATOM 187 C ALA A 5 -9.907 -8.381 -17.823 1.00 0.00 C ATOM 188 O ALA A 5 -11.121 -8.439 -17.761 1.00 0.00 O ATOM 189 CB ALA A 5 -9.766 -5.913 -18.124 1.00 0.00 C ATOM 0 H ALA A 5 -10.207 -6.813 -20.453 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.137 -7.260 -18.457 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.523 -5.778 -17.070 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.319 -5.107 -18.706 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.848 -5.895 -18.252 1.00 0.00 H new ATOM 195 N LYS A 6 -9.155 -9.286 -17.256 1.00 0.00 N ATOM 196 CA LYS A 6 -9.775 -10.423 -16.512 1.00 0.00 C ATOM 197 C LYS A 6 -10.398 -9.940 -15.199 1.00 0.00 C ATOM 198 O LYS A 6 -11.310 -10.557 -14.680 1.00 0.00 O ATOM 199 CB LYS A 6 -8.705 -11.457 -16.188 1.00 0.00 C ATOM 200 CG LYS A 6 -8.016 -11.896 -17.474 1.00 0.00 C ATOM 201 CD LYS A 6 -6.646 -12.486 -17.142 1.00 0.00 C ATOM 202 CE LYS A 6 -6.816 -13.763 -16.314 1.00 0.00 C ATOM 203 NZ LYS A 6 -5.673 -14.682 -16.577 1.00 0.00 N ATOM 0 H LYS A 6 -8.135 -9.288 -17.276 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.554 -10.858 -17.138 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.975 -11.036 -15.497 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.154 -12.317 -15.692 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.626 -12.636 -17.992 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.904 -11.046 -18.148 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.103 -12.707 -18.061 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.052 -11.759 -16.588 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.862 -13.518 -15.253 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.756 -14.252 -16.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.788 -15.549 -16.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.649 -14.925 -17.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.783 -14.214 -16.312 1.00 0.00 H new ATOM 217 N TYR A 7 -9.903 -8.857 -14.644 1.00 0.00 N ATOM 218 CA TYR A 7 -10.466 -8.362 -13.337 1.00 0.00 C ATOM 219 C TYR A 7 -10.489 -6.846 -13.318 1.00 0.00 C ATOM 220 O TYR A 7 -10.219 -6.188 -14.307 1.00 0.00 O ATOM 221 CB TYR A 7 -9.602 -8.857 -12.155 1.00 0.00 C ATOM 222 CG TYR A 7 -9.174 -10.288 -12.368 1.00 0.00 C ATOM 223 CD1 TYR A 7 -10.118 -11.316 -12.339 1.00 0.00 C ATOM 224 CD2 TYR A 7 -7.828 -10.577 -12.594 1.00 0.00 C ATOM 225 CE1 TYR A 7 -9.714 -12.642 -12.540 1.00 0.00 C ATOM 226 CE2 TYR A 7 -7.418 -11.897 -12.795 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.362 -12.934 -12.769 1.00 0.00 C ATOM 228 OH TYR A 7 -7.960 -14.238 -12.967 1.00 0.00 O ATOM 0 H TYR A 7 -9.143 -8.298 -15.031 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.480 -8.750 -13.237 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.723 -8.221 -12.050 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.167 -8.776 -11.226 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.159 -11.089 -12.162 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.101 -9.778 -12.614 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.443 -13.438 -12.519 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.376 -12.119 -12.970 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.991 -14.263 -13.113 1.00 0.00 H new ATOM 238 N ASP A 8 -10.832 -6.295 -12.191 1.00 0.00 N ATOM 239 CA ASP A 8 -10.910 -4.823 -12.060 1.00 0.00 C ATOM 240 C ASP A 8 -9.602 -4.271 -11.457 1.00 0.00 C ATOM 241 O ASP A 8 -8.784 -5.006 -10.953 1.00 0.00 O ATOM 242 CB ASP A 8 -12.118 -4.497 -11.174 1.00 0.00 C ATOM 243 CG ASP A 8 -11.847 -4.890 -9.710 1.00 0.00 C ATOM 244 OD1 ASP A 8 -11.237 -4.099 -9.010 1.00 0.00 O ATOM 245 OD2 ASP A 8 -12.255 -5.972 -9.321 1.00 0.00 O ATOM 0 H ASP A 8 -11.065 -6.813 -11.344 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.035 -4.353 -13.035 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.341 -3.432 -11.234 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.997 -5.028 -11.541 1.00 0.00 H new ATOM 250 N PHE A 9 -9.414 -2.972 -11.512 1.00 0.00 N ATOM 251 CA PHE A 9 -8.166 -2.335 -10.954 1.00 0.00 C ATOM 252 C PHE A 9 -8.107 -0.875 -11.409 1.00 0.00 C ATOM 253 O PHE A 9 -8.983 -0.395 -12.101 1.00 0.00 O ATOM 254 CB PHE A 9 -6.901 -3.081 -11.463 1.00 0.00 C ATOM 255 CG PHE A 9 -6.058 -3.569 -10.288 1.00 0.00 C ATOM 256 CD1 PHE A 9 -6.668 -4.143 -9.157 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.663 -3.450 -10.335 1.00 0.00 C ATOM 258 CE1 PHE A 9 -5.886 -4.589 -8.087 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.882 -3.898 -9.261 1.00 0.00 C ATOM 260 CZ PHE A 9 -4.494 -4.467 -8.139 1.00 0.00 C ATOM 0 H PHE A 9 -10.077 -2.315 -11.924 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.193 -2.392 -9.866 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.196 -3.928 -12.083 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.308 -2.417 -12.092 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.743 -4.239 -9.115 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.188 -3.012 -11.201 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.357 -5.028 -7.220 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.807 -3.804 -9.300 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.891 -4.812 -7.312 1.00 0.00 H new ATOM 270 N LYS A 10 -7.078 -0.168 -11.021 1.00 0.00 N ATOM 271 CA LYS A 10 -6.949 1.265 -11.425 1.00 0.00 C ATOM 272 C LYS A 10 -5.509 1.588 -11.748 1.00 0.00 C ATOM 273 O LYS A 10 -4.631 0.746 -11.663 1.00 0.00 O ATOM 274 CB LYS A 10 -7.471 2.169 -10.292 1.00 0.00 C ATOM 275 CG LYS A 10 -6.576 2.056 -9.043 1.00 0.00 C ATOM 276 CD LYS A 10 -6.842 0.720 -8.334 1.00 0.00 C ATOM 277 CE LYS A 10 -6.862 0.936 -6.819 1.00 0.00 C ATOM 278 NZ LYS A 10 -7.560 -0.208 -6.166 1.00 0.00 N ATOM 0 H LYS A 10 -6.318 -0.522 -10.440 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.545 1.444 -12.320 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.500 3.204 -10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.493 1.888 -10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.526 2.124 -9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.776 2.885 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.794 0.305 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.070 -0.003 -8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.844 1.020 -6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.370 1.871 -6.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.575 -0.063 -5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.536 -0.268 -6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.057 -1.092 -6.384 1.00 0.00 H new ATOM 292 N ALA A 11 -5.265 2.806 -12.129 1.00 0.00 N ATOM 293 CA ALA A 11 -3.896 3.211 -12.475 1.00 0.00 C ATOM 294 C ALA A 11 -3.088 3.362 -11.181 1.00 0.00 C ATOM 295 O ALA A 11 -3.563 3.928 -10.212 1.00 0.00 O ATOM 296 CB ALA A 11 -3.923 4.537 -13.225 1.00 0.00 C ATOM 0 H ALA A 11 -5.968 3.540 -12.214 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.436 2.457 -13.114 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.905 4.832 -13.479 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.507 4.426 -14.139 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.376 5.302 -12.595 1.00 0.00 H new ATOM 302 N THR A 12 -1.883 2.858 -11.151 1.00 0.00 N ATOM 303 CA THR A 12 -1.049 2.969 -9.908 1.00 0.00 C ATOM 304 C THR A 12 0.160 3.860 -10.185 1.00 0.00 C ATOM 305 O THR A 12 1.249 3.617 -9.694 1.00 0.00 O ATOM 306 CB THR A 12 -0.565 1.575 -9.474 1.00 0.00 C ATOM 307 OG1 THR A 12 0.440 1.126 -10.371 1.00 0.00 O ATOM 308 CG2 THR A 12 -1.738 0.589 -9.480 1.00 0.00 C ATOM 0 H THR A 12 -1.436 2.374 -11.930 1.00 0.00 H new ATOM 0 HA THR A 12 -1.652 3.404 -9.111 1.00 0.00 H new ATOM 0 HB THR A 12 -0.156 1.634 -8.465 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.142 0.303 -10.811 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.387 -0.396 -9.172 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.506 0.934 -8.788 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.156 0.527 -10.485 1.00 0.00 H new ATOM 316 N ALA A 13 -0.023 4.891 -10.968 1.00 0.00 N ATOM 317 CA ALA A 13 1.109 5.810 -11.289 1.00 0.00 C ATOM 318 C ALA A 13 0.630 6.899 -12.212 1.00 0.00 C ATOM 319 O ALA A 13 -0.481 6.877 -12.712 1.00 0.00 O ATOM 320 CB ALA A 13 2.238 5.038 -11.978 1.00 0.00 C ATOM 0 H ALA A 13 -0.913 5.137 -11.401 1.00 0.00 H new ATOM 0 HA ALA A 13 1.480 6.244 -10.361 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.058 5.719 -12.207 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.596 4.249 -11.316 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.865 4.595 -12.902 1.00 0.00 H new ATOM 326 N ASP A 14 1.469 7.853 -12.435 1.00 0.00 N ATOM 327 CA ASP A 14 1.122 8.978 -13.317 1.00 0.00 C ATOM 328 C ASP A 14 1.101 8.522 -14.786 1.00 0.00 C ATOM 329 O ASP A 14 0.683 9.259 -15.660 1.00 0.00 O ATOM 330 CB ASP A 14 2.169 10.043 -13.114 1.00 0.00 C ATOM 331 CG ASP A 14 1.599 11.413 -13.479 1.00 0.00 C ATOM 332 OD1 ASP A 14 1.634 11.755 -14.650 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.136 12.099 -12.582 1.00 0.00 O ATOM 0 H ASP A 14 2.405 7.900 -12.032 1.00 0.00 H new ATOM 0 HA ASP A 14 0.130 9.362 -13.078 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.502 10.044 -12.076 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.043 9.828 -13.729 1.00 0.00 H new ATOM 338 N ASP A 15 1.544 7.308 -15.064 1.00 0.00 N ATOM 339 CA ASP A 15 1.546 6.811 -16.441 1.00 0.00 C ATOM 340 C ASP A 15 0.912 5.417 -16.488 1.00 0.00 C ATOM 341 O ASP A 15 1.214 4.620 -17.362 1.00 0.00 O ATOM 342 CB ASP A 15 2.983 6.739 -16.951 1.00 0.00 C ATOM 343 CG ASP A 15 2.978 6.489 -18.460 1.00 0.00 C ATOM 344 OD1 ASP A 15 2.150 7.077 -19.135 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.802 5.713 -18.916 1.00 0.00 O ATOM 0 H ASP A 15 1.903 6.652 -14.370 1.00 0.00 H new ATOM 0 HA ASP A 15 0.970 7.488 -17.072 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.506 7.669 -16.728 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.521 5.940 -16.441 1.00 0.00 H new ATOM 350 N GLU A 16 0.029 5.115 -15.558 1.00 0.00 N ATOM 351 CA GLU A 16 -0.622 3.781 -15.558 1.00 0.00 C ATOM 352 C GLU A 16 -2.054 3.933 -16.071 1.00 0.00 C ATOM 353 O GLU A 16 -2.519 5.034 -16.311 1.00 0.00 O ATOM 354 CB GLU A 16 -0.609 3.203 -14.139 1.00 0.00 C ATOM 355 CG GLU A 16 -0.797 1.687 -14.208 1.00 0.00 C ATOM 356 CD GLU A 16 0.100 1.002 -13.174 1.00 0.00 C ATOM 357 OE1 GLU A 16 1.262 1.364 -13.093 1.00 0.00 O ATOM 358 OE2 GLU A 16 -0.393 0.129 -12.480 1.00 0.00 O ATOM 0 H GLU A 16 -0.261 5.740 -14.806 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.081 3.095 -16.210 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.333 3.442 -13.645 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.404 3.653 -13.544 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.840 1.433 -14.022 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.554 1.327 -15.208 1.00 0.00 H new ATOM 365 N LEU A 17 -2.746 2.840 -16.272 1.00 0.00 N ATOM 366 CA LEU A 17 -4.136 2.922 -16.806 1.00 0.00 C ATOM 367 C LEU A 17 -5.119 2.228 -15.858 1.00 0.00 C ATOM 368 O LEU A 17 -4.786 1.278 -15.174 1.00 0.00 O ATOM 369 CB LEU A 17 -4.160 2.254 -18.198 1.00 0.00 C ATOM 370 CG LEU A 17 -5.582 2.247 -18.784 1.00 0.00 C ATOM 371 CD1 LEU A 17 -5.977 3.671 -19.212 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.625 1.305 -20.006 1.00 0.00 C ATOM 0 H LEU A 17 -2.407 1.896 -16.089 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.441 3.965 -16.890 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.488 2.786 -18.872 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.790 1.232 -18.121 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.284 1.896 -18.028 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.985 3.660 -19.626 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.948 4.332 -18.346 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.278 4.031 -19.967 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.632 1.297 -20.424 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.921 1.656 -20.761 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.353 0.296 -19.697 1.00 0.00 H new ATOM 384 N SER A 18 -6.336 2.717 -15.819 1.00 0.00 N ATOM 385 CA SER A 18 -7.366 2.132 -14.936 1.00 0.00 C ATOM 386 C SER A 18 -8.397 1.369 -15.772 1.00 0.00 C ATOM 387 O SER A 18 -8.595 1.655 -16.939 1.00 0.00 O ATOM 388 CB SER A 18 -8.053 3.248 -14.206 1.00 0.00 C ATOM 389 OG SER A 18 -7.117 4.277 -13.911 1.00 0.00 O ATOM 0 H SER A 18 -6.653 3.511 -16.376 1.00 0.00 H new ATOM 0 HA SER A 18 -6.900 1.444 -14.231 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.866 3.646 -14.813 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.498 2.873 -13.284 1.00 0.00 H new ATOM 0 HG SER A 18 -7.570 5.005 -13.436 1.00 0.00 H new ATOM 395 N PHE A 19 -9.061 0.408 -15.179 1.00 0.00 N ATOM 396 CA PHE A 19 -10.092 -0.372 -15.927 1.00 0.00 C ATOM 397 C PHE A 19 -10.841 -1.276 -14.948 1.00 0.00 C ATOM 398 O PHE A 19 -10.472 -1.389 -13.805 1.00 0.00 O ATOM 399 CB PHE A 19 -9.414 -1.220 -17.008 1.00 0.00 C ATOM 400 CG PHE A 19 -8.370 -2.114 -16.378 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.757 -3.307 -15.760 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.019 -1.748 -16.416 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.792 -4.138 -15.177 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.054 -2.579 -15.833 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.441 -3.774 -15.214 1.00 0.00 C ATOM 0 H PHE A 19 -8.932 0.130 -14.206 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.796 0.310 -16.404 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.157 -1.824 -17.528 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.950 -0.573 -17.753 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.800 -3.588 -15.732 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.722 -0.826 -16.894 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.090 -5.059 -14.699 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.012 -2.298 -15.861 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.697 -4.415 -14.765 1.00 0.00 H new ATOM 415 N LYS A 20 -11.898 -1.906 -15.389 1.00 0.00 N ATOM 416 CA LYS A 20 -12.682 -2.795 -14.481 1.00 0.00 C ATOM 417 C LYS A 20 -12.680 -4.218 -15.008 1.00 0.00 C ATOM 418 O LYS A 20 -12.096 -4.518 -16.032 1.00 0.00 O ATOM 419 CB LYS A 20 -14.118 -2.299 -14.418 1.00 0.00 C ATOM 420 CG LYS A 20 -14.126 -0.847 -13.973 1.00 0.00 C ATOM 421 CD LYS A 20 -13.809 -0.766 -12.477 1.00 0.00 C ATOM 422 CE LYS A 20 -12.989 0.495 -12.195 1.00 0.00 C ATOM 423 NZ LYS A 20 -11.992 0.210 -11.125 1.00 0.00 N ATOM 0 H LYS A 20 -12.254 -1.843 -16.343 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.229 -2.777 -13.490 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.592 -2.395 -15.395 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.696 -2.908 -13.723 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.391 -0.278 -14.542 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.100 -0.400 -14.173 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.733 -0.748 -11.899 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.254 -1.651 -12.164 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.481 0.822 -13.102 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.646 1.308 -11.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.930 1.025 -10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.288 -0.631 -10.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.061 0.036 -11.555 1.00 0.00 H new ATOM 437 N ARG A 21 -13.345 -5.094 -14.310 1.00 0.00 N ATOM 438 CA ARG A 21 -13.419 -6.507 -14.736 1.00 0.00 C ATOM 439 C ARG A 21 -14.316 -6.609 -15.969 1.00 0.00 C ATOM 440 O ARG A 21 -15.508 -6.369 -15.901 1.00 0.00 O ATOM 441 CB ARG A 21 -14.013 -7.304 -13.595 1.00 0.00 C ATOM 442 CG ARG A 21 -14.071 -8.785 -13.945 1.00 0.00 C ATOM 443 CD ARG A 21 -14.528 -9.547 -12.708 1.00 0.00 C ATOM 444 NE ARG A 21 -15.388 -10.695 -13.114 1.00 0.00 N ATOM 445 CZ ARG A 21 -16.556 -10.864 -12.557 1.00 0.00 C ATOM 446 NH1 ARG A 21 -17.494 -9.971 -12.722 1.00 0.00 N ATOM 447 NH2 ARG A 21 -16.787 -11.927 -11.835 1.00 0.00 N ATOM 0 H ARG A 21 -13.847 -4.881 -13.448 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.431 -6.893 -14.986 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.415 -7.161 -12.695 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.015 -6.938 -13.373 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.761 -8.954 -14.772 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.092 -9.138 -14.269 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.663 -9.907 -12.151 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.081 -8.883 -12.044 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.064 -11.348 -13.827 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.314 -9.141 -13.287 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.407 -10.104 -12.286 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.055 -12.625 -11.706 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.700 -12.059 -11.400 1.00 0.00 H new ATOM 461 N GLY A 22 -13.748 -6.942 -17.098 1.00 0.00 N ATOM 462 CA GLY A 22 -14.557 -7.040 -18.349 1.00 0.00 C ATOM 463 C GLY A 22 -14.287 -5.812 -19.239 1.00 0.00 C ATOM 464 O GLY A 22 -14.906 -5.645 -20.275 1.00 0.00 O ATOM 0 H GLY A 22 -12.756 -7.151 -17.208 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.304 -7.954 -18.887 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.618 -7.098 -18.104 1.00 0.00 H new ATOM 468 N ASP A 23 -13.360 -4.957 -18.847 1.00 0.00 N ATOM 469 CA ASP A 23 -13.043 -3.782 -19.638 1.00 0.00 C ATOM 470 C ASP A 23 -11.805 -4.085 -20.450 1.00 0.00 C ATOM 471 O ASP A 23 -10.699 -4.056 -19.943 1.00 0.00 O ATOM 472 CB ASP A 23 -12.773 -2.597 -18.708 1.00 0.00 C ATOM 473 CG ASP A 23 -13.629 -1.397 -19.124 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.809 -1.592 -19.365 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.089 -0.305 -19.194 1.00 0.00 O ATOM 0 H ASP A 23 -12.816 -5.053 -17.990 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.874 -3.530 -20.296 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.997 -2.874 -17.678 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.717 -2.330 -18.743 1.00 0.00 H new ATOM 480 N ILE A 24 -11.980 -4.389 -21.690 1.00 0.00 N ATOM 481 CA ILE A 24 -10.813 -4.714 -22.547 1.00 0.00 C ATOM 482 C ILE A 24 -10.075 -3.418 -22.887 1.00 0.00 C ATOM 483 O ILE A 24 -10.681 -2.387 -23.109 1.00 0.00 O ATOM 484 CB ILE A 24 -11.273 -5.445 -23.817 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.351 -6.504 -23.432 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.052 -6.131 -24.436 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.584 -7.501 -24.573 1.00 0.00 C ATOM 0 H ILE A 24 -12.886 -4.429 -22.157 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.133 -5.379 -22.015 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.707 -4.748 -24.534 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.034 -7.040 -22.537 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.287 -6.001 -23.188 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.351 -6.659 -25.342 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.301 -5.382 -24.684 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.634 -6.842 -23.723 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.341 -8.226 -24.274 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.925 -6.966 -25.460 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.653 -8.021 -24.798 1.00 0.00 H new ATOM 499 N LEU A 25 -8.768 -3.462 -22.899 1.00 0.00 N ATOM 500 CA LEU A 25 -7.965 -2.234 -23.184 1.00 0.00 C ATOM 501 C LEU A 25 -7.512 -2.222 -24.639 1.00 0.00 C ATOM 502 O LEU A 25 -7.455 -3.251 -25.292 1.00 0.00 O ATOM 503 CB LEU A 25 -6.711 -2.193 -22.273 1.00 0.00 C ATOM 504 CG LEU A 25 -7.047 -2.511 -20.781 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.338 -1.807 -20.336 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.195 -4.027 -20.584 1.00 0.00 C ATOM 0 H LEU A 25 -8.218 -4.302 -22.722 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.593 -1.365 -22.989 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.977 -2.911 -22.638 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.251 -1.207 -22.337 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.225 -2.140 -20.169 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.543 -2.049 -19.293 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.219 -0.729 -20.442 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.168 -2.143 -20.957 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.429 -4.237 -19.540 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.999 -4.400 -21.218 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.262 -4.522 -20.853 1.00 0.00 H new ATOM 518 N LYS A 26 -7.170 -1.053 -25.147 1.00 0.00 N ATOM 519 CA LYS A 26 -6.698 -0.957 -26.576 1.00 0.00 C ATOM 520 C LYS A 26 -5.171 -0.850 -26.592 1.00 0.00 C ATOM 521 O LYS A 26 -4.616 0.227 -26.532 1.00 0.00 O ATOM 522 CB LYS A 26 -7.307 0.285 -27.230 1.00 0.00 C ATOM 523 CG LYS A 26 -7.573 0.010 -28.710 1.00 0.00 C ATOM 524 CD LYS A 26 -8.335 1.188 -29.318 1.00 0.00 C ATOM 525 CE LYS A 26 -7.341 2.270 -29.747 1.00 0.00 C ATOM 526 NZ LYS A 26 -8.072 3.546 -29.989 1.00 0.00 N ATOM 0 H LYS A 26 -7.197 -0.169 -24.639 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.009 -1.844 -27.129 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.236 0.554 -26.727 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.630 1.133 -27.124 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.631 -0.139 -29.238 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.151 -0.908 -28.822 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.918 0.854 -30.176 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.040 1.593 -28.592 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.585 2.412 -28.974 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.818 1.961 -30.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.003 3.800 -30.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.072 3.428 -29.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.651 4.302 -29.412 1.00 0.00 H new ATOM 540 N VAL A 27 -4.486 -1.966 -26.655 1.00 0.00 N ATOM 541 CA VAL A 27 -2.992 -1.943 -26.640 1.00 0.00 C ATOM 542 C VAL A 27 -2.442 -1.071 -27.772 1.00 0.00 C ATOM 543 O VAL A 27 -2.401 -1.473 -28.919 1.00 0.00 O ATOM 544 CB VAL A 27 -2.454 -3.378 -26.767 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.921 -3.375 -26.650 1.00 0.00 C ATOM 546 CG2 VAL A 27 -3.043 -4.244 -25.643 1.00 0.00 C ATOM 0 H VAL A 27 -4.901 -2.896 -26.716 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.662 -1.512 -25.695 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.742 -3.783 -27.737 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.547 -4.395 -26.741 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.497 -2.761 -27.444 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.631 -2.967 -25.682 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.663 -5.262 -25.731 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.754 -3.831 -24.676 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.130 -4.254 -25.723 1.00 0.00 H new ATOM 556 N LEU A 28 -1.979 0.112 -27.437 1.00 0.00 N ATOM 557 CA LEU A 28 -1.385 1.012 -28.461 1.00 0.00 C ATOM 558 C LEU A 28 0.086 0.637 -28.590 1.00 0.00 C ATOM 559 O LEU A 28 0.673 0.735 -29.652 1.00 0.00 O ATOM 560 CB LEU A 28 -1.472 2.517 -28.048 1.00 0.00 C ATOM 561 CG LEU A 28 -2.623 2.787 -27.049 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.043 2.995 -25.635 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.386 4.056 -27.479 1.00 0.00 C ATOM 0 H LEU A 28 -1.990 0.489 -26.489 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.934 0.892 -29.395 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.526 2.824 -27.601 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.616 3.128 -28.939 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.303 1.935 -27.041 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.855 3.185 -24.933 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.501 2.100 -25.329 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.363 3.847 -25.642 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.197 4.248 -26.777 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.704 4.906 -27.486 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.797 3.912 -28.478 1.00 0.00 H new ATOM 575 N ASN A 29 0.695 0.202 -27.499 1.00 0.00 N ATOM 576 CA ASN A 29 2.140 -0.185 -27.552 1.00 0.00 C ATOM 577 C ASN A 29 2.450 -1.198 -26.452 1.00 0.00 C ATOM 578 O ASN A 29 1.579 -1.611 -25.710 1.00 0.00 O ATOM 579 CB ASN A 29 3.037 1.047 -27.355 1.00 0.00 C ATOM 580 CG ASN A 29 2.610 2.168 -28.306 1.00 0.00 C ATOM 581 OD1 ASN A 29 1.657 2.873 -28.044 1.00 0.00 O ATOM 582 ND2 ASN A 29 3.282 2.363 -29.408 1.00 0.00 N ATOM 0 H ASN A 29 0.252 0.102 -26.586 1.00 0.00 H new ATOM 0 HA ASN A 29 2.338 -0.624 -28.530 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.973 1.391 -26.323 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.078 0.781 -27.538 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.006 3.107 -30.048 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.083 1.771 -29.629 1.00 0.00 H new ATOM 673 N TRP A 36 3.492 -5.877 -18.245 1.00 0.00 N ATOM 674 CA TRP A 36 2.349 -4.904 -18.326 1.00 0.00 C ATOM 675 C TRP A 36 2.265 -4.357 -19.763 1.00 0.00 C ATOM 676 O TRP A 36 3.267 -4.036 -20.375 1.00 0.00 O ATOM 677 CB TRP A 36 2.532 -3.717 -17.354 1.00 0.00 C ATOM 678 CG TRP A 36 2.802 -4.176 -15.935 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.786 -5.036 -15.556 1.00 0.00 C ATOM 680 CD2 TRP A 36 2.125 -3.773 -14.691 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.741 -5.187 -14.182 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.752 -4.431 -13.606 1.00 0.00 C ATOM 683 CE3 TRP A 36 1.041 -2.913 -14.393 1.00 0.00 C ATOM 684 CZ2 TRP A 36 2.337 -4.246 -12.288 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.625 -2.730 -13.056 1.00 0.00 C ATOM 686 CH2 TRP A 36 1.276 -3.392 -12.011 1.00 0.00 C ATOM 0 HA TRP A 36 1.436 -5.431 -18.049 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.358 -3.094 -17.696 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.636 -3.096 -17.369 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.487 -5.521 -16.219 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.372 -5.792 -13.656 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.530 -2.395 -15.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.839 -4.765 -11.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.204 -2.072 -12.839 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.955 -3.240 -10.991 1.00 0.00 H new ATOM 697 N TYR A 37 1.075 -4.261 -20.299 1.00 0.00 N ATOM 698 CA TYR A 37 0.896 -3.748 -21.694 1.00 0.00 C ATOM 699 C TYR A 37 0.627 -2.246 -21.686 1.00 0.00 C ATOM 700 O TYR A 37 0.213 -1.689 -20.704 1.00 0.00 O ATOM 701 CB TYR A 37 -0.347 -4.379 -22.313 1.00 0.00 C ATOM 702 CG TYR A 37 -0.183 -5.862 -22.535 1.00 0.00 C ATOM 703 CD1 TYR A 37 0.984 -6.377 -23.114 1.00 0.00 C ATOM 704 CD2 TYR A 37 -1.228 -6.723 -22.183 1.00 0.00 C ATOM 705 CE1 TYR A 37 1.100 -7.755 -23.341 1.00 0.00 C ATOM 706 CE2 TYR A 37 -1.114 -8.096 -22.401 1.00 0.00 C ATOM 707 CZ TYR A 37 0.051 -8.616 -22.983 1.00 0.00 C ATOM 708 OH TYR A 37 0.162 -9.972 -23.213 1.00 0.00 O ATOM 0 H TYR A 37 0.209 -4.519 -19.825 1.00 0.00 H new ATOM 0 HA TYR A 37 1.804 -3.986 -22.248 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.204 -4.203 -21.663 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.564 -3.893 -23.264 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.792 -5.714 -23.385 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.128 -6.322 -21.740 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.997 -8.154 -23.791 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.921 -8.757 -22.122 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.652 -10.424 -22.905 1.00 0.00 H new ATOM 718 N LYS A 38 0.780 -1.617 -22.814 1.00 0.00 N ATOM 719 CA LYS A 38 0.452 -0.174 -22.932 1.00 0.00 C ATOM 720 C LYS A 38 -0.836 -0.114 -23.748 1.00 0.00 C ATOM 721 O LYS A 38 -0.871 -0.590 -24.862 1.00 0.00 O ATOM 722 CB LYS A 38 1.571 0.563 -23.665 1.00 0.00 C ATOM 723 CG LYS A 38 1.483 2.063 -23.356 1.00 0.00 C ATOM 724 CD LYS A 38 1.342 2.869 -24.660 1.00 0.00 C ATOM 725 CE LYS A 38 2.457 3.912 -24.735 1.00 0.00 C ATOM 726 NZ LYS A 38 2.316 4.715 -25.984 1.00 0.00 N ATOM 0 H LYS A 38 1.124 -2.049 -23.672 1.00 0.00 H new ATOM 0 HA LYS A 38 0.338 0.296 -21.955 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.541 0.173 -23.356 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.488 0.397 -24.739 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.630 2.258 -22.706 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.375 2.383 -22.817 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.395 2.202 -25.520 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.368 3.358 -24.695 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.414 4.567 -23.864 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.429 3.420 -24.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.228 5.158 -26.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.024 4.094 -26.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.598 5.454 -25.842 1.00 0.00 H new ATOM 740 N ALA A 39 -1.910 0.399 -23.194 1.00 0.00 N ATOM 741 CA ALA A 39 -3.201 0.399 -23.951 1.00 0.00 C ATOM 742 C ALA A 39 -4.033 1.591 -23.635 1.00 0.00 C ATOM 743 O ALA A 39 -3.585 2.529 -23.010 1.00 0.00 O ATOM 744 CB ALA A 39 -3.935 -0.872 -23.606 1.00 0.00 C ATOM 0 H ALA A 39 -1.948 0.812 -22.262 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.994 0.446 -25.020 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.883 -0.902 -24.143 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.328 -1.731 -23.892 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.125 -0.903 -22.533 1.00 0.00 H new ATOM 750 N GLU A 40 -5.240 1.598 -24.138 1.00 0.00 N ATOM 751 CA GLU A 40 -6.085 2.770 -23.943 1.00 0.00 C ATOM 752 C GLU A 40 -7.579 2.431 -23.960 1.00 0.00 C ATOM 753 O GLU A 40 -8.084 1.725 -24.808 1.00 0.00 O ATOM 754 CB GLU A 40 -5.687 3.782 -25.035 1.00 0.00 C ATOM 755 CG GLU A 40 -6.810 4.038 -26.064 1.00 0.00 C ATOM 756 CD GLU A 40 -6.382 5.147 -27.027 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.063 6.225 -26.553 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.380 4.900 -28.221 1.00 0.00 O ATOM 0 H GLU A 40 -5.660 0.836 -24.671 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.926 3.197 -22.953 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.412 4.726 -24.564 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.802 3.416 -25.556 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.024 3.124 -26.618 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.729 4.323 -25.551 1.00 0.00 H new ATOM 765 N LEU A 41 -8.261 2.988 -23.030 1.00 0.00 N ATOM 766 CA LEU A 41 -9.735 2.789 -22.917 1.00 0.00 C ATOM 767 C LEU A 41 -10.491 3.976 -23.404 1.00 0.00 C ATOM 768 O LEU A 41 -10.747 4.924 -22.693 1.00 0.00 O ATOM 769 CB LEU A 41 -10.132 2.489 -21.489 1.00 0.00 C ATOM 770 CG LEU A 41 -10.093 1.005 -21.301 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.918 0.686 -19.817 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.406 0.425 -21.822 1.00 0.00 C ATOM 0 H LEU A 41 -7.861 3.594 -22.314 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.989 1.937 -23.547 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.451 2.979 -20.793 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.131 2.873 -21.282 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.257 0.568 -21.848 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.889 -0.395 -19.678 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.986 1.123 -19.458 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.754 1.102 -19.254 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.401 -0.658 -21.695 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.239 0.852 -21.264 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.516 0.666 -22.879 1.00 0.00 H new ATOM 784 N ASN A 42 -10.900 3.880 -24.611 1.00 0.00 N ATOM 785 CA ASN A 42 -11.723 4.941 -25.255 1.00 0.00 C ATOM 786 C ASN A 42 -11.260 6.385 -24.926 1.00 0.00 C ATOM 787 O ASN A 42 -12.046 7.314 -25.013 1.00 0.00 O ATOM 788 CB ASN A 42 -13.144 4.781 -24.771 1.00 0.00 C ATOM 789 CG ASN A 42 -13.915 3.848 -25.705 1.00 0.00 C ATOM 790 OD1 ASN A 42 -14.143 2.698 -25.383 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.331 4.297 -26.859 1.00 0.00 N ATOM 0 H ASN A 42 -10.698 3.084 -25.215 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.622 4.816 -26.333 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.148 4.379 -23.758 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.634 5.754 -24.730 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.847 3.683 -27.489 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.140 5.262 -27.130 1.00 0.00 H new ATOM 798 N GLY A 43 -10.031 6.584 -24.557 1.00 0.00 N ATOM 799 CA GLY A 43 -9.566 7.973 -24.232 1.00 0.00 C ATOM 800 C GLY A 43 -8.421 7.927 -23.220 1.00 0.00 C ATOM 801 O GLY A 43 -7.470 8.682 -23.321 1.00 0.00 O ATOM 0 H GLY A 43 -9.324 5.855 -24.464 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.236 8.475 -25.141 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.394 8.556 -23.828 1.00 0.00 H new ATOM 805 N LYS A 44 -8.489 7.033 -22.257 1.00 0.00 N ATOM 806 CA LYS A 44 -7.414 6.923 -21.277 1.00 0.00 C ATOM 807 C LYS A 44 -6.410 5.966 -21.810 1.00 0.00 C ATOM 808 O LYS A 44 -6.607 5.357 -22.842 1.00 0.00 O ATOM 809 CB LYS A 44 -7.941 6.403 -19.949 1.00 0.00 C ATOM 810 CG LYS A 44 -8.359 7.583 -19.086 1.00 0.00 C ATOM 811 CD LYS A 44 -9.490 7.161 -18.146 1.00 0.00 C ATOM 812 CE LYS A 44 -10.761 6.895 -18.958 1.00 0.00 C ATOM 813 NZ LYS A 44 -11.659 8.081 -18.877 1.00 0.00 N ATOM 0 H LYS A 44 -9.261 6.379 -22.127 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.974 7.906 -21.108 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.789 5.739 -20.115 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.173 5.819 -19.442 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.508 7.942 -18.508 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.687 8.409 -19.717 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.204 6.265 -17.596 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.674 7.942 -17.409 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.505 6.690 -19.997 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.272 6.012 -18.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.522 7.901 -19.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.913 8.257 -17.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.170 8.914 -19.262 1.00 0.00 H new ATOM 827 N ASP A 45 -5.330 5.832 -21.131 1.00 0.00 N ATOM 828 CA ASP A 45 -4.279 4.920 -21.585 1.00 0.00 C ATOM 829 C ASP A 45 -3.174 4.754 -20.527 1.00 0.00 C ATOM 830 O ASP A 45 -3.235 5.295 -19.440 1.00 0.00 O ATOM 831 CB ASP A 45 -3.723 5.480 -22.923 1.00 0.00 C ATOM 832 CG ASP A 45 -2.352 6.185 -22.766 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.348 7.381 -22.523 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.343 5.512 -22.894 1.00 0.00 O ATOM 0 H ASP A 45 -5.127 6.326 -20.262 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.687 3.921 -21.741 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.625 4.664 -23.638 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.441 6.185 -23.341 1.00 0.00 H new ATOM 839 N GLY A 46 -2.152 4.024 -20.886 1.00 0.00 N ATOM 840 CA GLY A 46 -0.998 3.817 -19.968 1.00 0.00 C ATOM 841 C GLY A 46 -0.734 2.326 -19.736 1.00 0.00 C ATOM 842 O GLY A 46 -1.393 1.471 -20.282 1.00 0.00 O ATOM 0 H GLY A 46 -2.068 3.557 -21.789 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.108 4.285 -20.388 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.196 4.306 -19.014 1.00 0.00 H new ATOM 846 N PHE A 47 0.255 2.025 -18.933 1.00 0.00 N ATOM 847 CA PHE A 47 0.623 0.595 -18.660 1.00 0.00 C ATOM 848 C PHE A 47 -0.520 -0.142 -17.951 1.00 0.00 C ATOM 849 O PHE A 47 -1.353 0.460 -17.313 1.00 0.00 O ATOM 850 CB PHE A 47 1.867 0.562 -17.759 1.00 0.00 C ATOM 851 CG PHE A 47 2.946 1.471 -18.324 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.304 1.386 -19.678 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.581 2.399 -17.491 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.296 2.228 -20.194 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.573 3.242 -18.008 1.00 0.00 C ATOM 856 CZ PHE A 47 4.930 3.157 -19.359 1.00 0.00 C ATOM 0 H PHE A 47 0.831 2.713 -18.448 1.00 0.00 H new ATOM 0 HA PHE A 47 0.821 0.101 -19.611 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.604 0.881 -16.750 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.243 -0.458 -17.683 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.814 0.671 -20.322 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.306 2.465 -16.449 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.573 2.161 -21.236 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.063 3.958 -17.364 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.694 3.808 -19.757 1.00 0.00 H new ATOM 866 N ILE A 48 -0.546 -1.457 -18.047 1.00 0.00 N ATOM 867 CA ILE A 48 -1.606 -2.246 -17.366 1.00 0.00 C ATOM 868 C ILE A 48 -1.001 -3.610 -17.006 1.00 0.00 C ATOM 869 O ILE A 48 -0.419 -4.230 -17.850 1.00 0.00 O ATOM 870 CB ILE A 48 -2.816 -2.464 -18.303 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.339 -2.766 -19.733 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.685 -1.212 -18.315 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.516 -3.257 -20.583 1.00 0.00 C ATOM 0 H ILE A 48 0.130 -2.011 -18.573 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.952 -1.713 -16.480 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.395 -3.312 -17.936 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.907 -1.870 -20.178 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.554 -3.522 -19.712 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.538 -1.367 -18.976 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.041 -1.007 -17.306 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.099 -0.365 -18.672 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.171 -3.469 -21.595 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.929 -4.165 -20.143 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.287 -2.487 -20.617 1.00 0.00 H new ATOM 885 N PRO A 49 -1.142 -4.060 -15.772 1.00 0.00 N ATOM 886 CA PRO A 49 -0.583 -5.352 -15.387 1.00 0.00 C ATOM 887 C PRO A 49 -1.339 -6.468 -16.085 1.00 0.00 C ATOM 888 O PRO A 49 -2.503 -6.670 -15.872 1.00 0.00 O ATOM 889 CB PRO A 49 -0.729 -5.403 -13.869 1.00 0.00 C ATOM 890 CG PRO A 49 -1.833 -4.366 -13.512 1.00 0.00 C ATOM 891 CD PRO A 49 -1.866 -3.364 -14.693 1.00 0.00 C ATOM 0 HA PRO A 49 0.460 -5.477 -15.677 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.010 -6.402 -13.537 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.212 -5.156 -13.378 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.800 -4.852 -13.384 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.605 -3.859 -12.575 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.889 -3.127 -14.987 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.383 -2.422 -14.431 1.00 0.00 H new ATOM 899 N LYS A 50 -0.661 -7.159 -16.951 1.00 0.00 N ATOM 900 CA LYS A 50 -1.276 -8.270 -17.738 1.00 0.00 C ATOM 901 C LYS A 50 -1.937 -9.333 -16.833 1.00 0.00 C ATOM 902 O LYS A 50 -2.711 -10.136 -17.309 1.00 0.00 O ATOM 903 CB LYS A 50 -0.162 -8.903 -18.540 1.00 0.00 C ATOM 904 CG LYS A 50 -0.664 -10.050 -19.399 1.00 0.00 C ATOM 905 CD LYS A 50 0.550 -10.681 -20.087 1.00 0.00 C ATOM 906 CE LYS A 50 0.370 -12.201 -20.175 1.00 0.00 C ATOM 907 NZ LYS A 50 1.656 -12.874 -19.838 1.00 0.00 N ATOM 0 H LYS A 50 0.325 -6.998 -17.156 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.065 -7.872 -18.376 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.301 -8.149 -19.176 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.611 -9.267 -17.863 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.183 -10.788 -18.787 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.379 -9.690 -20.139 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.671 -10.262 -21.086 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.457 -10.445 -19.531 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.413 -12.525 -19.490 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.052 -12.483 -21.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.534 -13.905 -19.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.392 -12.573 -20.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.941 -12.614 -18.872 1.00 0.00 H new ATOM 921 N ASN A 51 -1.637 -9.361 -15.550 1.00 0.00 N ATOM 922 CA ASN A 51 -2.249 -10.357 -14.661 1.00 0.00 C ATOM 923 C ASN A 51 -3.765 -10.149 -14.621 1.00 0.00 C ATOM 924 O ASN A 51 -4.535 -11.083 -14.511 1.00 0.00 O ATOM 925 CB ASN A 51 -1.659 -10.190 -13.300 1.00 0.00 C ATOM 926 CG ASN A 51 -0.416 -11.073 -13.154 1.00 0.00 C ATOM 927 OD1 ASN A 51 0.694 -10.580 -13.130 1.00 0.00 O ATOM 928 ND2 ASN A 51 -0.558 -12.367 -13.054 1.00 0.00 N ATOM 0 H ASN A 51 -0.985 -8.722 -15.095 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.054 -11.366 -15.024 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.394 -9.146 -13.135 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.395 -10.456 -12.541 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.263 -12.964 -12.956 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.490 -12.781 -13.074 1.00 0.00 H new ATOM 935 N TYR A 52 -4.186 -8.923 -14.751 1.00 0.00 N ATOM 936 CA TYR A 52 -5.635 -8.597 -14.771 1.00 0.00 C ATOM 937 C TYR A 52 -6.045 -8.447 -16.219 1.00 0.00 C ATOM 938 O TYR A 52 -6.892 -7.633 -16.553 1.00 0.00 O ATOM 939 CB TYR A 52 -5.872 -7.245 -14.066 1.00 0.00 C ATOM 940 CG TYR A 52 -5.752 -7.333 -12.599 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.625 -7.881 -11.998 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.766 -6.804 -11.830 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.527 -7.894 -10.622 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.678 -6.820 -10.464 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.558 -7.362 -9.844 1.00 0.00 C ATOM 946 OH TYR A 52 -5.469 -7.363 -8.471 1.00 0.00 O ATOM 0 H TYR A 52 -3.570 -8.116 -14.846 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.204 -9.378 -14.268 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.155 -6.515 -14.441 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.865 -6.877 -14.323 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.832 -8.294 -12.604 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.634 -6.375 -12.307 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.654 -8.315 -10.147 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.480 -6.411 -9.867 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.099 -6.508 -8.167 1.00 0.00 H new ATOM 956 N ILE A 53 -5.424 -9.196 -17.104 1.00 0.00 N ATOM 957 CA ILE A 53 -5.755 -9.057 -18.532 1.00 0.00 C ATOM 958 C ILE A 53 -5.344 -10.298 -19.334 1.00 0.00 C ATOM 959 O ILE A 53 -4.713 -11.211 -18.843 1.00 0.00 O ATOM 960 CB ILE A 53 -5.023 -7.844 -19.163 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.380 -6.943 -18.102 1.00 0.00 C ATOM 962 CG2 ILE A 53 -6.001 -7.012 -19.990 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.571 -5.867 -18.789 1.00 0.00 C ATOM 0 H ILE A 53 -4.708 -9.889 -16.886 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.836 -8.921 -18.577 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.233 -8.243 -19.799 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.150 -6.492 -17.476 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.740 -7.533 -17.446 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.476 -6.163 -20.428 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.422 -7.628 -20.785 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.804 -6.650 -19.348 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.111 -5.223 -18.039 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.793 -6.329 -19.397 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.224 -5.272 -19.427 1.00 0.00 H new ATOM 975 N GLU A 54 -5.656 -10.263 -20.599 1.00 0.00 N ATOM 976 CA GLU A 54 -5.281 -11.323 -21.528 1.00 0.00 C ATOM 977 C GLU A 54 -5.146 -10.668 -22.905 1.00 0.00 C ATOM 978 O GLU A 54 -5.676 -9.594 -23.137 1.00 0.00 O ATOM 979 CB GLU A 54 -6.325 -12.417 -21.555 1.00 0.00 C ATOM 980 CG GLU A 54 -5.743 -13.713 -20.974 1.00 0.00 C ATOM 981 CD GLU A 54 -6.443 -14.916 -21.610 1.00 0.00 C ATOM 982 OE1 GLU A 54 -6.487 -14.973 -22.828 1.00 0.00 O ATOM 983 OE2 GLU A 54 -6.920 -15.758 -20.869 1.00 0.00 O ATOM 0 H GLU A 54 -6.180 -9.501 -21.029 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.346 -11.792 -21.223 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.199 -12.111 -20.980 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.660 -12.586 -22.578 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.671 -13.760 -21.164 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.876 -13.731 -19.892 1.00 0.00 H new ATOM 990 N MET A 55 -4.419 -11.276 -23.792 1.00 0.00 N ATOM 991 CA MET A 55 -4.183 -10.648 -25.141 1.00 0.00 C ATOM 992 C MET A 55 -5.180 -11.110 -26.206 1.00 0.00 C ATOM 993 O MET A 55 -5.130 -12.233 -26.674 1.00 0.00 O ATOM 994 CB MET A 55 -2.768 -11.001 -25.606 1.00 0.00 C ATOM 995 CG MET A 55 -2.211 -9.860 -26.458 1.00 0.00 C ATOM 996 SD MET A 55 -0.724 -10.425 -27.321 1.00 0.00 S ATOM 997 CE MET A 55 -1.406 -10.384 -28.996 1.00 0.00 C ATOM 0 H MET A 55 -3.972 -12.182 -23.653 1.00 0.00 H new ATOM 0 HA MET A 55 -4.315 -9.572 -25.023 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.123 -11.174 -24.744 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.784 -11.926 -26.183 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.960 -9.530 -27.178 1.00 0.00 H new ATOM 0 HG3 MET A 55 -1.975 -9.002 -25.828 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.644 -10.702 -29.707 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.262 -11.056 -29.057 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.724 -9.369 -29.235 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.065 -10.225 -26.621 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.028 -10.555 -27.660 1.00 0.00 C ATOM 1009 C LYS A 56 -6.653 -9.863 -28.979 1.00 0.00 C ATOM 1010 O LYS A 56 -6.018 -8.809 -28.974 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.386 -10.102 -27.225 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.062 -11.226 -26.473 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.278 -10.681 -25.724 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.291 -10.120 -26.726 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.652 -10.077 -26.107 1.00 0.00 N ATOM 0 H LYS A 56 -6.139 -9.275 -26.258 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.026 -11.633 -27.821 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.303 -9.220 -26.590 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.983 -9.816 -28.091 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.370 -12.008 -27.167 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.363 -11.680 -25.771 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.737 -11.472 -25.132 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.969 -9.901 -25.028 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.992 -9.119 -27.036 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.310 -10.740 -27.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.147 -9.216 -26.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.195 -10.913 -26.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.562 -10.072 -25.071 1.00 0.00 H new