USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 420 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 38 MET CE :methyl -149:sc= -0.18 (180deg=-1.85!) USER MOD Set 1.2: A 48 MET CE :methyl 163:sc= -3.53! (180deg=-4.48!) USER MOD Set 2.1: A 20 THR OG1 : rot 39:sc= 0.162 USER MOD Set 2.2: A 51 TYR OH : rot -107:sc= 1.3 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 14 GLN : amide:sc= -0.0988 K(o=-0.099,f=-2.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0559 F(o=-1.5,f=-0.056) USER MOD Single : A 22 SER OG : rot 77:sc= 1.31 USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= 1.29 (180deg=0.826) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -81:sc= 1.23 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -91:sc= 1.23 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0823 USER MOD Single : A 47 GLN : amide:sc= 0.254 K(o=0.25,f=-6.4!) USER MOD Single : A 52 TYR OH : rot -103:sc= 0.0533 USER MOD Single : A 58 GLN : amide:sc= -0.0271 K(o=-0.027,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 139 N LEU A 10 -10.643 8.535 5.070 1.00 0.00 N ATOM 140 CA LEU A 10 -10.968 7.992 3.804 1.00 0.00 C ATOM 141 C LEU A 10 -11.658 6.702 4.019 1.00 0.00 C ATOM 142 O LEU A 10 -11.673 6.176 5.138 1.00 0.00 O ATOM 143 CB LEU A 10 -9.760 7.776 2.893 1.00 0.00 C ATOM 144 CG LEU A 10 -8.593 8.751 2.995 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.672 8.336 4.122 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.843 8.810 1.679 1.00 0.00 C ATOM 0 HA LEU A 10 -11.604 8.716 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.374 6.775 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.115 7.789 1.862 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.978 9.748 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.840 9.037 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.224 8.337 5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.288 7.335 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.012 9.510 1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.459 7.820 1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.518 9.143 0.890 1.00 0.00 H new ATOM 158 N THR A 11 -12.225 6.190 2.993 1.00 0.00 N ATOM 159 CA THR A 11 -12.896 4.954 3.090 1.00 0.00 C ATOM 160 C THR A 11 -11.982 3.870 2.594 1.00 0.00 C ATOM 161 O THR A 11 -10.880 4.161 2.099 1.00 0.00 O ATOM 162 CB THR A 11 -14.196 4.975 2.284 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.883 5.150 0.894 1.00 0.00 O ATOM 164 CG2 THR A 11 -15.068 6.130 2.740 1.00 0.00 C ATOM 0 H THR A 11 -12.237 6.615 2.066 1.00 0.00 H new ATOM 0 HA THR A 11 -13.160 4.764 4.130 1.00 0.00 H new ATOM 0 HB THR A 11 -14.729 4.036 2.436 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.712 5.163 0.371 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.992 6.139 2.162 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.303 6.013 3.798 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.536 7.069 2.588 1.00 0.00 H new ATOM 172 N PHE A 12 -12.428 2.642 2.693 1.00 0.00 N ATOM 173 CA PHE A 12 -11.636 1.521 2.254 1.00 0.00 C ATOM 174 C PHE A 12 -11.360 1.626 0.760 1.00 0.00 C ATOM 175 O PHE A 12 -10.261 1.383 0.269 1.00 0.00 O ATOM 176 CB PHE A 12 -12.329 0.196 2.596 1.00 0.00 C ATOM 177 CG PHE A 12 -11.558 -1.012 2.187 1.00 0.00 C ATOM 178 CD1 PHE A 12 -12.057 -1.887 1.243 1.00 0.00 C ATOM 179 CD2 PHE A 12 -10.329 -1.265 2.738 1.00 0.00 C ATOM 180 CE1 PHE A 12 -11.332 -2.996 0.864 1.00 0.00 C ATOM 181 CE2 PHE A 12 -9.603 -2.367 2.366 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.101 -3.232 1.431 1.00 0.00 C ATOM 0 H PHE A 12 -13.340 2.393 3.076 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.682 1.541 2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.505 0.156 3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.306 0.173 2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.023 -1.701 0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.927 -0.587 3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.728 -3.677 0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.637 -2.552 2.812 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.528 -4.100 1.138 1.00 0.00 H new ATOM 192 N ASP A 13 -12.399 2.085 0.080 1.00 0.00 N ATOM 193 CA ASP A 13 -12.379 2.360 -1.361 1.00 0.00 C ATOM 194 C ASP A 13 -11.365 3.448 -1.699 1.00 0.00 C ATOM 195 O ASP A 13 -10.616 3.333 -2.672 1.00 0.00 O ATOM 196 CB ASP A 13 -13.768 2.804 -1.857 1.00 0.00 C ATOM 197 CG ASP A 13 -14.851 1.755 -1.712 1.00 0.00 C ATOM 198 OD1 ASP A 13 -15.576 1.759 -0.687 1.00 0.00 O ATOM 199 OD2 ASP A 13 -15.015 0.922 -2.619 1.00 0.00 O ATOM 0 H ASP A 13 -13.300 2.283 0.516 1.00 0.00 H new ATOM 0 HA ASP A 13 -12.094 1.434 -1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -14.068 3.696 -1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.692 3.087 -2.907 1.00 0.00 H new ATOM 204 N GLN A 14 -11.340 4.480 -0.875 1.00 0.00 N ATOM 205 CA GLN A 14 -10.455 5.636 -1.090 1.00 0.00 C ATOM 206 C GLN A 14 -9.013 5.255 -0.790 1.00 0.00 C ATOM 207 O GLN A 14 -8.088 5.645 -1.500 1.00 0.00 O ATOM 208 CB GLN A 14 -10.886 6.796 -0.206 1.00 0.00 C ATOM 209 CG GLN A 14 -12.241 7.370 -0.540 1.00 0.00 C ATOM 210 CD GLN A 14 -12.213 8.314 -1.709 1.00 0.00 C ATOM 211 OE1 GLN A 14 -11.391 8.205 -2.611 1.00 0.00 O ATOM 212 NE2 GLN A 14 -13.093 9.251 -1.693 1.00 0.00 N ATOM 0 H GLN A 14 -11.923 4.551 -0.041 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.526 5.944 -2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.893 6.462 0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.142 7.589 -0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.930 6.554 -0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.631 7.894 0.332 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.762 9.310 -0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.123 9.936 -2.448 1.00 0.00 H new ATOM 221 N VAL A 15 -8.837 4.471 0.261 1.00 0.00 N ATOM 222 CA VAL A 15 -7.526 4.086 0.723 1.00 0.00 C ATOM 223 C VAL A 15 -6.930 3.138 -0.261 1.00 0.00 C ATOM 224 O VAL A 15 -5.739 3.207 -0.560 1.00 0.00 O ATOM 225 CB VAL A 15 -7.523 3.471 2.151 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.164 2.890 2.440 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.814 4.533 3.195 1.00 0.00 C ATOM 0 H VAL A 15 -9.603 4.087 0.814 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.925 4.992 0.796 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.293 2.700 2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.158 2.458 3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.937 2.114 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.412 3.677 2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.807 4.080 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.051 5.310 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.793 4.972 3.004 1.00 0.00 H new ATOM 237 N LYS A 16 -7.739 2.257 -0.774 1.00 0.00 N ATOM 238 CA LYS A 16 -7.308 1.367 -1.791 1.00 0.00 C ATOM 239 C LYS A 16 -6.733 2.130 -2.955 1.00 0.00 C ATOM 240 O LYS A 16 -5.658 1.808 -3.407 1.00 0.00 O ATOM 241 CB LYS A 16 -8.443 0.445 -2.237 1.00 0.00 C ATOM 242 CG LYS A 16 -8.605 -0.830 -1.402 1.00 0.00 C ATOM 243 CD LYS A 16 -9.518 -1.862 -2.086 1.00 0.00 C ATOM 244 CE LYS A 16 -10.924 -1.336 -2.304 1.00 0.00 C ATOM 245 NZ LYS A 16 -11.767 -2.271 -3.083 1.00 0.00 N ATOM 0 H LYS A 16 -8.713 2.142 -0.494 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.520 0.737 -1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.379 1.003 -2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.275 0.162 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.625 -1.274 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.017 -0.573 -0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.086 -2.145 -3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.561 -2.765 -1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.392 -1.150 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.874 -0.379 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.717 -1.864 -3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.337 -2.430 -4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.840 -3.177 -2.577 1.00 0.00 H new ATOM 259 N GLU A 17 -7.403 3.170 -3.386 1.00 0.00 N ATOM 260 CA GLU A 17 -6.869 3.984 -4.451 1.00 0.00 C ATOM 261 C GLU A 17 -5.558 4.698 -4.079 1.00 0.00 C ATOM 262 O GLU A 17 -4.719 4.930 -4.961 1.00 0.00 O ATOM 263 CB GLU A 17 -7.883 4.956 -5.029 1.00 0.00 C ATOM 264 CG GLU A 17 -8.998 4.296 -5.823 1.00 0.00 C ATOM 265 CD GLU A 17 -9.870 5.308 -6.512 1.00 0.00 C ATOM 266 OE1 GLU A 17 -10.794 5.839 -5.883 1.00 0.00 O ATOM 267 OE2 GLU A 17 -9.638 5.616 -7.696 1.00 0.00 O ATOM 0 H GLU A 17 -8.307 3.471 -3.022 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.625 3.273 -5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.324 5.531 -4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.363 5.664 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.567 3.624 -6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.607 3.686 -5.156 1.00 0.00 H new ATOM 274 N GLN A 18 -5.336 5.007 -2.768 1.00 0.00 N ATOM 275 CA GLN A 18 -4.128 5.737 -2.388 1.00 0.00 C ATOM 276 C GLN A 18 -2.952 4.831 -2.603 1.00 0.00 C ATOM 277 O GLN A 18 -1.961 5.180 -3.251 1.00 0.00 O ATOM 278 CB GLN A 18 -4.184 6.355 -0.949 1.00 0.00 C ATOM 279 CG GLN A 18 -3.896 5.423 0.200 1.00 0.00 C ATOM 280 CD GLN A 18 -3.790 6.137 1.529 1.00 0.00 C ATOM 281 OE1 GLN A 18 -4.890 6.286 2.211 1.00 0.00 O flip ATOM 282 NE2 GLN A 18 -2.719 6.552 1.931 1.00 0.00 N flip ATOM 0 H GLN A 18 -5.960 4.766 -1.998 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.031 6.615 -3.026 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.472 7.179 -0.905 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.176 6.782 -0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.685 4.673 0.259 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.965 4.891 0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.877 6.418 1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.663 7.034 2.828 1.00 0.00 H new ATOM 291 N LEU A 19 -3.119 3.653 -2.110 1.00 0.00 N ATOM 292 CA LEU A 19 -2.156 2.619 -2.159 1.00 0.00 C ATOM 293 C LEU A 19 -1.911 2.123 -3.564 1.00 0.00 C ATOM 294 O LEU A 19 -0.768 1.932 -3.970 1.00 0.00 O ATOM 295 CB LEU A 19 -2.629 1.519 -1.282 1.00 0.00 C ATOM 296 CG LEU A 19 -2.402 1.685 0.214 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.093 0.581 0.955 1.00 0.00 C ATOM 298 CD2 LEU A 19 -0.915 1.684 0.538 1.00 0.00 C ATOM 0 H LEU A 19 -3.979 3.375 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.198 3.006 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.698 1.387 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.140 0.598 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.817 2.643 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.928 0.703 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.162 0.616 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.692 -0.380 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.777 1.804 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.474 0.740 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.428 2.507 0.015 1.00 0.00 H new ATOM 310 N THR A 20 -2.987 1.969 -4.307 1.00 0.00 N ATOM 311 CA THR A 20 -2.925 1.514 -5.670 1.00 0.00 C ATOM 312 C THR A 20 -2.061 2.430 -6.506 1.00 0.00 C ATOM 313 O THR A 20 -1.103 1.978 -7.124 1.00 0.00 O ATOM 314 CB THR A 20 -4.352 1.419 -6.258 1.00 0.00 C ATOM 315 OG1 THR A 20 -5.042 0.314 -5.667 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.359 1.319 -7.781 1.00 0.00 C ATOM 0 H THR A 20 -3.933 2.159 -3.975 1.00 0.00 H new ATOM 0 HA THR A 20 -2.471 0.523 -5.686 1.00 0.00 H new ATOM 0 HB THR A 20 -4.872 2.345 -6.014 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.813 0.256 -4.716 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.387 1.255 -8.137 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.882 2.202 -8.206 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.812 0.428 -8.090 1.00 0.00 H new ATOM 324 N GLU A 21 -2.340 3.707 -6.442 1.00 0.00 N ATOM 325 CA GLU A 21 -1.616 4.680 -7.228 1.00 0.00 C ATOM 326 C GLU A 21 -0.139 4.715 -6.828 1.00 0.00 C ATOM 327 O GLU A 21 0.759 4.739 -7.673 1.00 0.00 O ATOM 328 CB GLU A 21 -2.248 6.036 -7.039 1.00 0.00 C ATOM 329 CG GLU A 21 -1.490 7.164 -7.709 1.00 0.00 C ATOM 330 CD GLU A 21 -1.996 8.502 -7.305 1.00 0.00 C ATOM 331 OE1 GLU A 21 -2.597 9.204 -8.126 1.00 0.00 O ATOM 332 OE2 GLU A 21 -1.818 8.890 -6.139 1.00 0.00 O ATOM 0 H GLU A 21 -3.070 4.102 -5.849 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.667 4.399 -8.280 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.264 6.010 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.324 6.245 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.432 7.087 -7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.569 7.060 -8.791 1.00 0.00 H new ATOM 339 N SER A 22 0.076 4.664 -5.543 1.00 0.00 N ATOM 340 CA SER A 22 1.407 4.762 -4.961 1.00 0.00 C ATOM 341 C SER A 22 2.257 3.556 -5.346 1.00 0.00 C ATOM 342 O SER A 22 3.419 3.700 -5.750 1.00 0.00 O ATOM 343 CB SER A 22 1.316 4.926 -3.438 1.00 0.00 C ATOM 344 OG SER A 22 0.551 6.089 -3.103 1.00 0.00 O ATOM 0 H SER A 22 -0.668 4.552 -4.854 1.00 0.00 H new ATOM 0 HA SER A 22 1.898 5.649 -5.363 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.855 4.041 -2.998 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.317 5.008 -3.015 1.00 0.00 H new ATOM 0 HG SER A 22 -0.403 5.898 -3.220 1.00 0.00 H new ATOM 350 N GLY A 23 1.657 2.374 -5.279 1.00 0.00 N ATOM 351 CA GLY A 23 2.323 1.158 -5.659 1.00 0.00 C ATOM 352 C GLY A 23 2.655 1.150 -7.119 1.00 0.00 C ATOM 353 O GLY A 23 3.667 0.641 -7.513 1.00 0.00 O ATOM 0 H GLY A 23 0.697 2.243 -4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.237 1.044 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.687 0.304 -5.424 1.00 0.00 H new ATOM 357 N LYS A 24 1.775 1.734 -7.899 1.00 0.00 N ATOM 358 CA LYS A 24 1.962 1.871 -9.330 1.00 0.00 C ATOM 359 C LYS A 24 3.119 2.785 -9.685 1.00 0.00 C ATOM 360 O LYS A 24 3.824 2.561 -10.669 1.00 0.00 O ATOM 361 CB LYS A 24 0.682 2.347 -9.932 1.00 0.00 C ATOM 362 CG LYS A 24 -0.375 1.275 -9.915 1.00 0.00 C ATOM 363 CD LYS A 24 -0.210 0.323 -11.092 1.00 0.00 C ATOM 364 CE LYS A 24 -0.672 0.968 -12.379 1.00 0.00 C ATOM 365 NZ LYS A 24 -0.304 0.189 -13.583 1.00 0.00 N ATOM 0 H LYS A 24 0.900 2.132 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 24 2.226 0.897 -9.742 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.325 3.219 -9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.860 2.666 -10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.316 0.717 -8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.363 1.734 -9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.836 0.029 -11.183 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.782 -0.587 -10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.755 1.090 -12.349 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.241 1.966 -12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.985 0.385 -14.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.651 0.461 -13.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.319 -0.826 -13.358 1.00 0.00 H new ATOM 379 N LYS A 25 3.335 3.799 -8.879 1.00 0.00 N ATOM 380 CA LYS A 25 4.411 4.732 -9.104 1.00 0.00 C ATOM 381 C LYS A 25 5.732 4.107 -8.721 1.00 0.00 C ATOM 382 O LYS A 25 6.748 4.293 -9.396 1.00 0.00 O ATOM 383 CB LYS A 25 4.168 6.012 -8.307 1.00 0.00 C ATOM 384 CG LYS A 25 2.896 6.744 -8.711 1.00 0.00 C ATOM 385 CD LYS A 25 2.598 7.929 -7.807 1.00 0.00 C ATOM 386 CE LYS A 25 3.660 9.008 -7.907 1.00 0.00 C ATOM 387 NZ LYS A 25 3.395 10.101 -6.962 1.00 0.00 N ATOM 0 H LYS A 25 2.771 3.998 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 25 4.446 4.985 -10.164 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.116 5.766 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.020 6.680 -8.438 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.991 7.090 -9.740 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.056 6.050 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.628 8.351 -8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.526 7.587 -6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.640 8.577 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.689 9.401 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.136 10.825 -7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.469 10.526 -7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.391 9.728 -5.991 1.00 0.00 H new ATOM 401 N ARG A 26 5.715 3.371 -7.636 1.00 0.00 N ATOM 402 CA ARG A 26 6.923 2.753 -7.130 1.00 0.00 C ATOM 403 C ARG A 26 7.256 1.499 -7.910 1.00 0.00 C ATOM 404 O ARG A 26 8.360 1.311 -8.407 1.00 0.00 O ATOM 405 CB ARG A 26 6.787 2.381 -5.646 1.00 0.00 C ATOM 406 CG ARG A 26 6.416 3.522 -4.720 1.00 0.00 C ATOM 407 CD ARG A 26 6.353 3.054 -3.271 1.00 0.00 C ATOM 408 NE ARG A 26 7.676 2.652 -2.755 1.00 0.00 N ATOM 409 CZ ARG A 26 7.891 1.934 -1.635 1.00 0.00 C ATOM 410 NH1 ARG A 26 6.860 1.526 -0.888 1.00 0.00 N ATOM 411 NH2 ARG A 26 9.136 1.657 -1.250 1.00 0.00 N ATOM 0 H ARG A 26 4.878 3.184 -7.084 1.00 0.00 H new ATOM 0 HA ARG A 26 7.722 3.485 -7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.032 1.600 -5.553 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.731 1.954 -5.308 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.148 4.324 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.451 3.934 -5.015 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.951 3.855 -2.650 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.664 2.213 -3.193 1.00 0.00 H new ATOM 0 HE ARG A 26 8.495 2.941 -3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.906 1.758 -1.165 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.027 0.983 -0.041 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.926 1.988 -1.803 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.299 1.114 -0.402 1.00 0.00 H new ATOM 425 N GLY A 27 6.232 0.686 -8.052 1.00 0.00 N ATOM 426 CA GLY A 27 6.323 -0.616 -8.632 1.00 0.00 C ATOM 427 C GLY A 27 6.336 -1.630 -7.528 1.00 0.00 C ATOM 428 O GLY A 27 6.599 -2.823 -7.746 1.00 0.00 O ATOM 0 H GLY A 27 5.288 0.930 -7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.479 -0.793 -9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.228 -0.700 -9.234 1.00 0.00 H new ATOM 432 N VAL A 28 6.016 -1.166 -6.327 1.00 0.00 N ATOM 433 CA VAL A 28 6.121 -1.978 -5.162 1.00 0.00 C ATOM 434 C VAL A 28 5.391 -1.350 -3.984 1.00 0.00 C ATOM 435 O VAL A 28 5.198 -0.126 -3.934 1.00 0.00 O ATOM 436 CB VAL A 28 7.611 -2.170 -4.812 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.258 -0.910 -4.266 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.822 -3.326 -3.925 1.00 0.00 C ATOM 0 H VAL A 28 5.680 -0.219 -6.153 1.00 0.00 H new ATOM 0 HA VAL A 28 5.658 -2.943 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 28 8.118 -2.387 -5.752 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.305 -1.108 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.192 -0.116 -5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.742 -0.600 -3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.885 -3.425 -3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.270 -3.178 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.468 -4.232 -4.417 1.00 0.00 H new ATOM 448 N LEU A 29 4.944 -2.205 -3.102 1.00 0.00 N ATOM 449 CA LEU A 29 4.344 -1.851 -1.854 1.00 0.00 C ATOM 450 C LEU A 29 4.678 -2.942 -0.847 1.00 0.00 C ATOM 451 O LEU A 29 4.591 -4.119 -1.175 1.00 0.00 O ATOM 452 CB LEU A 29 2.819 -1.758 -1.975 1.00 0.00 C ATOM 453 CG LEU A 29 2.205 -0.567 -2.710 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.700 -0.735 -2.798 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.526 0.732 -2.003 1.00 0.00 C ATOM 0 H LEU A 29 4.993 -3.213 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 29 4.726 -0.879 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.472 -2.665 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.408 -1.769 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 29 2.631 -0.531 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.269 0.117 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.467 -1.651 -3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.281 -0.792 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.077 1.563 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.126 0.703 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.607 0.867 -1.962 1.00 0.00 H new ATOM 467 N THR A 30 5.122 -2.581 0.323 1.00 0.00 N ATOM 468 CA THR A 30 5.319 -3.561 1.369 1.00 0.00 C ATOM 469 C THR A 30 3.976 -3.968 1.960 1.00 0.00 C ATOM 470 O THR A 30 3.044 -3.157 1.996 1.00 0.00 O ATOM 471 CB THR A 30 6.206 -3.036 2.517 1.00 0.00 C ATOM 472 OG1 THR A 30 5.694 -1.824 3.043 1.00 0.00 O ATOM 473 CG2 THR A 30 7.622 -2.849 2.080 1.00 0.00 C ATOM 0 H THR A 30 5.355 -1.622 0.582 1.00 0.00 H new ATOM 0 HA THR A 30 5.821 -4.410 0.906 1.00 0.00 H new ATOM 0 HB THR A 30 6.192 -3.792 3.302 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.965 -1.078 2.469 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.215 -2.478 2.916 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.028 -3.803 1.742 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.658 -2.129 1.262 1.00 0.00 H new ATOM 481 N TYR A 31 3.879 -5.208 2.435 1.00 0.00 N ATOM 482 CA TYR A 31 2.654 -5.697 3.085 1.00 0.00 C ATOM 483 C TYR A 31 2.225 -4.774 4.231 1.00 0.00 C ATOM 484 O TYR A 31 1.035 -4.506 4.414 1.00 0.00 O ATOM 485 CB TYR A 31 2.829 -7.119 3.651 1.00 0.00 C ATOM 486 CG TYR A 31 3.101 -8.216 2.642 1.00 0.00 C ATOM 487 CD1 TYR A 31 4.326 -8.854 2.610 1.00 0.00 C ATOM 488 CD2 TYR A 31 2.128 -8.626 1.742 1.00 0.00 C ATOM 489 CE1 TYR A 31 4.584 -9.874 1.714 1.00 0.00 C ATOM 490 CE2 TYR A 31 2.375 -9.645 0.836 1.00 0.00 C ATOM 491 CZ TYR A 31 3.608 -10.266 0.830 1.00 0.00 C ATOM 492 OH TYR A 31 3.864 -11.290 -0.061 1.00 0.00 O ATOM 0 H TYR A 31 4.631 -5.896 2.384 1.00 0.00 H new ATOM 0 HA TYR A 31 1.887 -5.710 2.311 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.650 -7.103 4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.927 -7.380 4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.099 -8.549 3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.162 -8.143 1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.548 -10.361 1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.608 -9.951 0.140 1.00 0.00 H new ATOM 0 HH TYR A 31 3.072 -11.447 -0.616 1.00 0.00 H new ATOM 502 N GLU A 32 3.194 -4.256 4.969 1.00 0.00 N ATOM 503 CA GLU A 32 2.890 -3.448 6.125 1.00 0.00 C ATOM 504 C GLU A 32 2.416 -2.041 5.762 1.00 0.00 C ATOM 505 O GLU A 32 1.538 -1.514 6.420 1.00 0.00 O ATOM 506 CB GLU A 32 4.045 -3.422 7.129 1.00 0.00 C ATOM 507 CG GLU A 32 3.740 -2.619 8.388 1.00 0.00 C ATOM 508 CD GLU A 32 4.771 -2.795 9.456 1.00 0.00 C ATOM 509 OE1 GLU A 32 4.470 -3.431 10.483 1.00 0.00 O ATOM 510 OE2 GLU A 32 5.902 -2.327 9.283 1.00 0.00 O ATOM 0 H GLU A 32 4.189 -4.383 4.785 1.00 0.00 H new ATOM 0 HA GLU A 32 2.047 -3.934 6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.293 -4.445 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.927 -3.002 6.645 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.668 -1.562 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.767 -2.919 8.777 1.00 0.00 H new ATOM 517 N GLU A 33 2.922 -1.454 4.680 1.00 0.00 N ATOM 518 CA GLU A 33 2.506 -0.091 4.346 1.00 0.00 C ATOM 519 C GLU A 33 1.089 -0.129 3.809 1.00 0.00 C ATOM 520 O GLU A 33 0.331 0.838 3.914 1.00 0.00 O ATOM 521 CB GLU A 33 3.466 0.587 3.365 1.00 0.00 C ATOM 522 CG GLU A 33 3.432 0.057 1.951 1.00 0.00 C ATOM 523 CD GLU A 33 4.541 0.620 1.127 1.00 0.00 C ATOM 524 OE1 GLU A 33 4.363 1.675 0.492 1.00 0.00 O ATOM 525 OE2 GLU A 33 5.652 0.022 1.131 1.00 0.00 O ATOM 0 H GLU A 33 3.594 -1.878 4.041 1.00 0.00 H new ATOM 0 HA GLU A 33 2.534 0.515 5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.240 1.653 3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.481 0.485 3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.506 -1.030 1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.475 0.304 1.492 1.00 0.00 H new ATOM 532 N ILE A 34 0.737 -1.278 3.268 1.00 0.00 N ATOM 533 CA ILE A 34 -0.586 -1.529 2.791 1.00 0.00 C ATOM 534 C ILE A 34 -1.532 -1.690 3.963 1.00 0.00 C ATOM 535 O ILE A 34 -2.604 -1.079 3.994 1.00 0.00 O ATOM 536 CB ILE A 34 -0.624 -2.776 1.898 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.249 -2.544 0.676 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.054 -3.093 1.488 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.417 -3.750 -0.197 1.00 0.00 C ATOM 0 H ILE A 34 1.376 -2.064 3.151 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.903 -0.677 2.189 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.239 -3.631 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.182 -1.737 0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.232 -2.207 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.063 -3.980 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.656 -3.276 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.470 -2.250 0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.053 -3.499 -1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.878 -4.553 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.558 -4.076 -0.558 1.00 0.00 H new ATOM 551 N ALA A 35 -1.098 -2.439 4.993 1.00 0.00 N ATOM 552 CA ALA A 35 -1.878 -2.715 6.169 1.00 0.00 C ATOM 553 C ALA A 35 -2.041 -1.466 7.008 1.00 0.00 C ATOM 554 O ALA A 35 -3.039 -1.270 7.680 1.00 0.00 O ATOM 555 CB ALA A 35 -1.242 -3.827 6.981 1.00 0.00 C ATOM 0 H ALA A 35 -0.173 -2.869 5.012 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.868 -3.044 5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.846 -4.022 7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.183 -4.732 6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.239 -3.528 7.285 1.00 0.00 H new ATOM 561 N GLU A 36 -1.027 -0.612 6.930 1.00 0.00 N ATOM 562 CA GLU A 36 -0.908 0.570 7.743 1.00 0.00 C ATOM 563 C GLU A 36 -2.061 1.510 7.506 1.00 0.00 C ATOM 564 O GLU A 36 -2.615 2.080 8.441 1.00 0.00 O ATOM 565 CB GLU A 36 0.415 1.272 7.444 1.00 0.00 C ATOM 566 CG GLU A 36 0.726 2.398 8.394 1.00 0.00 C ATOM 567 CD GLU A 36 0.859 1.917 9.814 1.00 0.00 C ATOM 568 OE1 GLU A 36 1.937 1.409 10.184 1.00 0.00 O ATOM 569 OE2 GLU A 36 -0.101 2.039 10.590 1.00 0.00 O ATOM 0 H GLU A 36 -0.251 -0.735 6.280 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.929 0.270 8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.222 0.541 7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.388 1.663 6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.652 2.885 8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.063 3.148 8.338 1.00 0.00 H new ATOM 576 N ARG A 37 -2.440 1.666 6.263 1.00 0.00 N ATOM 577 CA ARG A 37 -3.543 2.534 5.934 1.00 0.00 C ATOM 578 C ARG A 37 -4.860 1.856 6.301 1.00 0.00 C ATOM 579 O ARG A 37 -5.818 2.500 6.688 1.00 0.00 O ATOM 580 CB ARG A 37 -3.528 2.875 4.455 1.00 0.00 C ATOM 581 CG ARG A 37 -2.208 3.403 3.931 1.00 0.00 C ATOM 582 CD ARG A 37 -1.777 4.696 4.601 1.00 0.00 C ATOM 583 NE ARG A 37 -0.460 5.105 4.127 1.00 0.00 N ATOM 584 CZ ARG A 37 -0.008 6.354 4.053 1.00 0.00 C ATOM 585 NH1 ARG A 37 -0.783 7.380 4.408 1.00 0.00 N ATOM 586 NH2 ARG A 37 1.229 6.572 3.623 1.00 0.00 N ATOM 0 H ARG A 37 -2.003 1.205 5.464 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.444 3.458 6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.795 1.982 3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.302 3.618 4.261 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.436 2.648 4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.290 3.567 2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.504 5.480 4.392 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.755 4.562 5.682 1.00 0.00 H new ATOM 0 HE ARG A 37 0.173 4.365 3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.732 7.211 4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.426 8.334 4.347 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.821 5.786 3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.587 7.525 3.562 1.00 0.00 H new ATOM 600 N MET A 38 -4.861 0.537 6.239 1.00 0.00 N ATOM 601 CA MET A 38 -6.073 -0.247 6.464 1.00 0.00 C ATOM 602 C MET A 38 -6.332 -0.486 7.946 1.00 0.00 C ATOM 603 O MET A 38 -7.340 -1.078 8.312 1.00 0.00 O ATOM 604 CB MET A 38 -6.019 -1.601 5.741 1.00 0.00 C ATOM 605 CG MET A 38 -5.775 -1.525 4.249 1.00 0.00 C ATOM 606 SD MET A 38 -6.982 -0.515 3.386 1.00 0.00 S ATOM 607 CE MET A 38 -6.474 -0.792 1.695 1.00 0.00 C ATOM 0 H MET A 38 -4.033 -0.022 6.034 1.00 0.00 H new ATOM 0 HA MET A 38 -6.892 0.344 6.054 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.231 -2.204 6.192 1.00 0.00 H new ATOM 0 HB3 MET A 38 -6.959 -2.125 5.913 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.778 -1.121 4.070 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.790 -2.532 3.833 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.691 0.095 1.100 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.404 -0.996 1.665 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.017 -1.644 1.287 1.00 0.00 H new ATOM 617 N SER A 39 -5.444 0.004 8.791 1.00 0.00 N ATOM 618 CA SER A 39 -5.566 -0.164 10.232 1.00 0.00 C ATOM 619 C SER A 39 -6.758 0.628 10.759 1.00 0.00 C ATOM 620 O SER A 39 -7.289 0.344 11.835 1.00 0.00 O ATOM 621 CB SER A 39 -4.287 0.305 10.918 1.00 0.00 C ATOM 622 OG SER A 39 -4.049 1.678 10.635 1.00 0.00 O ATOM 0 H SER A 39 -4.619 0.529 8.501 1.00 0.00 H new ATOM 0 HA SER A 39 -5.724 -1.220 10.450 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.369 0.158 11.995 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.443 -0.295 10.578 1.00 0.00 H new ATOM 0 HG SER A 39 -3.489 1.755 9.835 1.00 0.00 H new ATOM 628 N SER A 40 -7.162 1.634 9.987 1.00 0.00 N ATOM 629 CA SER A 40 -8.301 2.453 10.300 1.00 0.00 C ATOM 630 C SER A 40 -9.580 1.619 10.179 1.00 0.00 C ATOM 631 O SER A 40 -10.582 1.871 10.848 1.00 0.00 O ATOM 632 CB SER A 40 -8.330 3.622 9.322 1.00 0.00 C ATOM 633 OG SER A 40 -7.057 4.272 9.290 1.00 0.00 O ATOM 0 H SER A 40 -6.694 1.896 9.120 1.00 0.00 H new ATOM 0 HA SER A 40 -8.234 2.831 11.320 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.589 3.265 8.325 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.102 4.333 9.617 1.00 0.00 H new ATOM 0 HG SER A 40 -7.087 5.020 8.657 1.00 0.00 H new ATOM 639 N PHE A 41 -9.522 0.629 9.331 1.00 0.00 N ATOM 640 CA PHE A 41 -10.629 -0.265 9.104 1.00 0.00 C ATOM 641 C PHE A 41 -10.321 -1.588 9.795 1.00 0.00 C ATOM 642 O PHE A 41 -9.317 -1.703 10.513 1.00 0.00 O ATOM 643 CB PHE A 41 -10.769 -0.502 7.598 1.00 0.00 C ATOM 644 CG PHE A 41 -10.637 0.744 6.800 1.00 0.00 C ATOM 645 CD1 PHE A 41 -9.545 0.915 5.981 1.00 0.00 C ATOM 646 CD2 PHE A 41 -11.564 1.760 6.901 1.00 0.00 C ATOM 647 CE1 PHE A 41 -9.374 2.069 5.272 1.00 0.00 C ATOM 648 CE2 PHE A 41 -11.406 2.922 6.188 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.305 3.076 5.373 1.00 0.00 C ATOM 0 H PHE A 41 -8.697 0.416 8.771 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.554 0.158 9.496 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.010 -1.215 7.276 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.739 -0.955 7.396 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.813 0.125 5.898 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.421 1.640 7.547 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.511 2.191 4.634 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.140 3.711 6.265 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.173 3.990 4.812 1.00 0.00 H new ATOM 659 N GLU A 42 -11.160 -2.560 9.593 1.00 0.00 N ATOM 660 CA GLU A 42 -10.945 -3.882 10.112 1.00 0.00 C ATOM 661 C GLU A 42 -10.866 -4.835 8.937 1.00 0.00 C ATOM 662 O GLU A 42 -11.861 -5.442 8.535 1.00 0.00 O ATOM 663 CB GLU A 42 -12.064 -4.263 11.071 1.00 0.00 C ATOM 664 CG GLU A 42 -12.165 -3.331 12.260 1.00 0.00 C ATOM 665 CD GLU A 42 -13.346 -3.629 13.129 1.00 0.00 C ATOM 666 OE1 GLU A 42 -13.367 -4.686 13.772 1.00 0.00 O ATOM 667 OE2 GLU A 42 -14.280 -2.805 13.185 1.00 0.00 O ATOM 0 H GLU A 42 -12.022 -2.459 9.058 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.015 -3.928 10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.012 -4.262 10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.900 -5.280 11.426 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.254 -3.406 12.854 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.230 -2.302 11.906 1.00 0.00 H new ATOM 674 N ILE A 43 -9.702 -4.884 8.332 1.00 0.00 N ATOM 675 CA ILE A 43 -9.508 -5.640 7.130 1.00 0.00 C ATOM 676 C ILE A 43 -8.809 -6.938 7.419 1.00 0.00 C ATOM 677 O ILE A 43 -7.698 -6.977 7.983 1.00 0.00 O ATOM 678 CB ILE A 43 -8.724 -4.831 6.071 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.393 -3.486 5.849 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.615 -5.590 4.760 1.00 0.00 C ATOM 681 CD1 ILE A 43 -10.792 -3.588 5.288 1.00 0.00 C ATOM 0 H ILE A 43 -8.868 -4.400 8.664 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.495 -5.860 6.722 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.713 -4.673 6.446 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.429 -2.948 6.796 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.781 -2.894 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.058 -4.992 4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.095 -6.533 4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.613 -5.790 4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.205 -2.588 5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.762 -4.098 4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.420 -4.152 5.977 1.00 0.00 H new ATOM 693 N GLU A 44 -9.470 -7.979 7.048 1.00 0.00 N ATOM 694 CA GLU A 44 -9.006 -9.328 7.215 1.00 0.00 C ATOM 695 C GLU A 44 -7.910 -9.632 6.232 1.00 0.00 C ATOM 696 O GLU A 44 -7.767 -8.956 5.194 1.00 0.00 O ATOM 697 CB GLU A 44 -10.151 -10.297 6.981 1.00 0.00 C ATOM 698 CG GLU A 44 -11.284 -10.156 7.959 1.00 0.00 C ATOM 699 CD GLU A 44 -12.408 -11.103 7.656 1.00 0.00 C ATOM 700 OE1 GLU A 44 -12.320 -12.297 8.028 1.00 0.00 O ATOM 701 OE2 GLU A 44 -13.392 -10.674 7.028 1.00 0.00 O ATOM 0 H GLU A 44 -10.385 -7.920 6.602 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.624 -9.436 8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.536 -10.151 5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.767 -11.316 7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.917 -10.340 8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.657 -9.132 7.937 1.00 0.00 H new ATOM 708 N SER A 45 -7.191 -10.672 6.513 1.00 0.00 N ATOM 709 CA SER A 45 -6.117 -11.124 5.678 1.00 0.00 C ATOM 710 C SER A 45 -6.658 -11.654 4.337 1.00 0.00 C ATOM 711 O SER A 45 -5.958 -11.670 3.323 1.00 0.00 O ATOM 712 CB SER A 45 -5.361 -12.179 6.451 1.00 0.00 C ATOM 713 OG SER A 45 -6.286 -13.072 7.045 1.00 0.00 O ATOM 0 H SER A 45 -7.335 -11.244 7.345 1.00 0.00 H new ATOM 0 HA SER A 45 -5.442 -10.306 5.427 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.688 -12.722 5.787 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.743 -11.712 7.218 1.00 0.00 H new ATOM 0 HG SER A 45 -5.801 -13.760 7.547 1.00 0.00 H new ATOM 719 N ASP A 46 -7.931 -12.036 4.337 1.00 0.00 N ATOM 720 CA ASP A 46 -8.598 -12.508 3.134 1.00 0.00 C ATOM 721 C ASP A 46 -8.808 -11.335 2.220 1.00 0.00 C ATOM 722 O ASP A 46 -8.453 -11.367 1.043 1.00 0.00 O ATOM 723 CB ASP A 46 -9.953 -13.126 3.473 1.00 0.00 C ATOM 724 CG ASP A 46 -9.849 -14.291 4.415 1.00 0.00 C ATOM 725 OD1 ASP A 46 -9.571 -15.420 3.962 1.00 0.00 O ATOM 726 OD2 ASP A 46 -10.044 -14.100 5.621 1.00 0.00 O ATOM 0 H ASP A 46 -8.524 -12.027 5.167 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.981 -13.269 2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.593 -12.363 3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.437 -13.452 2.553 1.00 0.00 H new ATOM 731 N GLN A 47 -9.340 -10.272 2.800 1.00 0.00 N ATOM 732 CA GLN A 47 -9.589 -9.030 2.095 1.00 0.00 C ATOM 733 C GLN A 47 -8.281 -8.443 1.600 1.00 0.00 C ATOM 734 O GLN A 47 -8.192 -7.943 0.482 1.00 0.00 O ATOM 735 CB GLN A 47 -10.239 -8.038 3.020 1.00 0.00 C ATOM 736 CG GLN A 47 -11.553 -8.477 3.600 1.00 0.00 C ATOM 737 CD GLN A 47 -12.127 -7.405 4.481 1.00 0.00 C ATOM 738 OE1 GLN A 47 -11.864 -7.377 5.678 1.00 0.00 O ATOM 739 NE2 GLN A 47 -12.868 -6.504 3.907 1.00 0.00 N ATOM 0 H GLN A 47 -9.613 -10.249 3.783 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.245 -9.237 1.250 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.552 -7.823 3.838 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.392 -7.105 2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.252 -8.708 2.796 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.415 -9.393 4.175 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.062 -6.565 2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.255 -5.736 4.456 1.00 0.00 H new ATOM 748 N MET A 48 -7.260 -8.509 2.448 1.00 0.00 N ATOM 749 CA MET A 48 -5.946 -8.023 2.083 1.00 0.00 C ATOM 750 C MET A 48 -5.377 -8.775 0.896 1.00 0.00 C ATOM 751 O MET A 48 -4.860 -8.161 -0.015 1.00 0.00 O ATOM 752 CB MET A 48 -4.952 -8.053 3.253 1.00 0.00 C ATOM 753 CG MET A 48 -5.099 -6.936 4.290 1.00 0.00 C ATOM 754 SD MET A 48 -4.390 -5.315 3.797 1.00 0.00 S ATOM 755 CE MET A 48 -5.390 -4.805 2.396 1.00 0.00 C ATOM 0 H MET A 48 -7.323 -8.895 3.390 1.00 0.00 H new ATOM 0 HA MET A 48 -6.087 -6.980 1.800 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.052 -9.011 3.764 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.942 -8.013 2.846 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.159 -6.800 4.507 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.622 -7.257 5.216 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.253 -3.738 2.220 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.085 -5.361 1.510 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.440 -5.006 2.606 1.00 0.00 H new ATOM 765 N ASP A 49 -5.517 -10.101 0.894 1.00 0.00 N ATOM 766 CA ASP A 49 -4.978 -10.942 -0.193 1.00 0.00 C ATOM 767 C ASP A 49 -5.689 -10.643 -1.484 1.00 0.00 C ATOM 768 O ASP A 49 -5.076 -10.614 -2.558 1.00 0.00 O ATOM 769 CB ASP A 49 -5.107 -12.424 0.129 1.00 0.00 C ATOM 770 CG ASP A 49 -4.348 -13.295 -0.850 1.00 0.00 C ATOM 771 OD1 ASP A 49 -4.964 -13.894 -1.734 1.00 0.00 O ATOM 772 OD2 ASP A 49 -3.104 -13.410 -0.733 1.00 0.00 O ATOM 0 H ASP A 49 -5.997 -10.622 1.628 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.919 -10.706 -0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.737 -12.608 1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.160 -12.705 0.120 1.00 0.00 H new ATOM 777 N GLU A 50 -6.978 -10.388 -1.367 1.00 0.00 N ATOM 778 CA GLU A 50 -7.797 -10.011 -2.493 1.00 0.00 C ATOM 779 C GLU A 50 -7.242 -8.713 -3.109 1.00 0.00 C ATOM 780 O GLU A 50 -7.106 -8.583 -4.329 1.00 0.00 O ATOM 781 CB GLU A 50 -9.245 -9.815 -2.027 1.00 0.00 C ATOM 782 CG GLU A 50 -10.232 -9.450 -3.119 1.00 0.00 C ATOM 783 CD GLU A 50 -10.380 -10.524 -4.162 1.00 0.00 C ATOM 784 OE1 GLU A 50 -9.717 -10.442 -5.216 1.00 0.00 O ATOM 785 OE2 GLU A 50 -11.185 -11.461 -3.951 1.00 0.00 O ATOM 0 H GLU A 50 -7.484 -10.438 -0.483 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.779 -10.795 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.583 -10.733 -1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.263 -9.033 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.205 -9.251 -2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.908 -8.527 -3.600 1.00 0.00 H new ATOM 792 N TYR A 51 -6.896 -7.768 -2.246 1.00 0.00 N ATOM 793 CA TYR A 51 -6.314 -6.520 -2.678 1.00 0.00 C ATOM 794 C TYR A 51 -4.906 -6.774 -3.232 1.00 0.00 C ATOM 795 O TYR A 51 -4.498 -6.116 -4.186 1.00 0.00 O ATOM 796 CB TYR A 51 -6.316 -5.505 -1.545 1.00 0.00 C ATOM 797 CG TYR A 51 -5.804 -4.136 -1.934 1.00 0.00 C ATOM 798 CD1 TYR A 51 -4.869 -3.488 -1.145 1.00 0.00 C ATOM 799 CD2 TYR A 51 -6.242 -3.493 -3.099 1.00 0.00 C ATOM 800 CE1 TYR A 51 -4.383 -2.251 -1.491 1.00 0.00 C ATOM 801 CE2 TYR A 51 -5.756 -2.257 -3.437 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.832 -1.642 -2.633 1.00 0.00 C ATOM 803 OH TYR A 51 -4.335 -0.427 -2.983 1.00 0.00 O ATOM 0 H TYR A 51 -7.012 -7.850 -1.236 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.917 -6.094 -3.480 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.332 -5.405 -1.164 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.706 -5.889 -0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.516 -3.963 -0.242 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.969 -3.975 -3.736 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.651 -1.761 -0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.101 -1.768 -4.336 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.013 0.262 -2.824 1.00 0.00 H new ATOM 813 N TYR A 52 -4.164 -7.710 -2.649 1.00 0.00 N ATOM 814 CA TYR A 52 -2.805 -8.017 -3.109 1.00 0.00 C ATOM 815 C TYR A 52 -2.794 -8.501 -4.546 1.00 0.00 C ATOM 816 O TYR A 52 -1.960 -8.065 -5.350 1.00 0.00 O ATOM 817 CB TYR A 52 -2.052 -9.001 -2.178 1.00 0.00 C ATOM 818 CG TYR A 52 -1.795 -8.465 -0.776 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.851 -9.295 0.339 1.00 0.00 C ATOM 820 CD2 TYR A 52 -1.529 -7.123 -0.566 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.652 -8.790 1.611 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.324 -6.628 0.696 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.388 -7.459 1.778 1.00 0.00 C ATOM 824 OH TYR A 52 -1.208 -6.947 3.048 1.00 0.00 O ATOM 0 H TYR A 52 -4.477 -8.272 -1.857 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.257 -7.075 -3.067 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.628 -9.923 -2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.097 -9.258 -2.637 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.053 -10.348 0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.482 -6.453 -1.412 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.705 -9.444 2.469 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.111 -5.578 0.835 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.018 -6.471 3.327 1.00 0.00 H new ATOM 834 N GLU A 53 -3.752 -9.365 -4.887 1.00 0.00 N ATOM 835 CA GLU A 53 -3.889 -9.846 -6.249 1.00 0.00 C ATOM 836 C GLU A 53 -4.227 -8.688 -7.163 1.00 0.00 C ATOM 837 O GLU A 53 -3.638 -8.554 -8.237 1.00 0.00 O ATOM 838 CB GLU A 53 -4.973 -10.916 -6.351 1.00 0.00 C ATOM 839 CG GLU A 53 -5.141 -11.483 -7.754 1.00 0.00 C ATOM 840 CD GLU A 53 -6.207 -12.528 -7.836 1.00 0.00 C ATOM 841 OE1 GLU A 53 -5.904 -13.726 -7.671 1.00 0.00 O ATOM 842 OE2 GLU A 53 -7.380 -12.184 -8.067 1.00 0.00 O ATOM 0 H GLU A 53 -4.440 -9.741 -4.235 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.942 -10.293 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.734 -11.729 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.922 -10.492 -6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.381 -10.672 -8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.194 -11.911 -8.083 1.00 0.00 H new ATOM 849 N PHE A 54 -5.139 -7.832 -6.703 1.00 0.00 N ATOM 850 CA PHE A 54 -5.546 -6.660 -7.433 1.00 0.00 C ATOM 851 C PHE A 54 -4.324 -5.795 -7.776 1.00 0.00 C ATOM 852 O PHE A 54 -4.105 -5.429 -8.935 1.00 0.00 O ATOM 853 CB PHE A 54 -6.572 -5.869 -6.602 1.00 0.00 C ATOM 854 CG PHE A 54 -6.846 -4.510 -7.138 1.00 0.00 C ATOM 855 CD1 PHE A 54 -7.742 -4.314 -8.163 1.00 0.00 C ATOM 856 CD2 PHE A 54 -6.169 -3.427 -6.626 1.00 0.00 C ATOM 857 CE1 PHE A 54 -7.950 -3.050 -8.668 1.00 0.00 C ATOM 858 CE2 PHE A 54 -6.371 -2.176 -7.112 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.252 -1.981 -8.130 1.00 0.00 C ATOM 0 H PHE A 54 -5.612 -7.944 -5.806 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.015 -6.959 -8.371 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.506 -6.430 -6.562 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.208 -5.781 -5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.284 -5.154 -8.573 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.463 -3.575 -5.822 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.650 -2.894 -9.475 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.834 -1.338 -6.692 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.408 -0.987 -8.521 1.00 0.00 H new ATOM 869 N LEU A 55 -3.533 -5.496 -6.762 1.00 0.00 N ATOM 870 CA LEU A 55 -2.323 -4.703 -6.920 1.00 0.00 C ATOM 871 C LEU A 55 -1.361 -5.343 -7.923 1.00 0.00 C ATOM 872 O LEU A 55 -0.791 -4.666 -8.784 1.00 0.00 O ATOM 873 CB LEU A 55 -1.638 -4.506 -5.580 1.00 0.00 C ATOM 874 CG LEU A 55 -2.364 -3.611 -4.590 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.673 -3.663 -3.247 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.405 -2.178 -5.110 1.00 0.00 C ATOM 0 H LEU A 55 -3.710 -5.796 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.614 -3.729 -7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.495 -5.484 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.647 -4.089 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.387 -3.967 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.199 -3.019 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.677 -4.688 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.644 -3.320 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.928 -1.545 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.388 -1.810 -5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.929 -2.152 -6.065 1.00 0.00 H new ATOM 888 N GLY A 56 -1.219 -6.657 -7.796 1.00 0.00 N ATOM 889 CA GLY A 56 -0.356 -7.413 -8.684 1.00 0.00 C ATOM 890 C GLY A 56 -0.800 -7.297 -10.124 1.00 0.00 C ATOM 891 O GLY A 56 0.031 -7.127 -11.022 1.00 0.00 O ATOM 0 H GLY A 56 -1.691 -7.217 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.669 -7.054 -8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.356 -8.462 -8.386 1.00 0.00 H new ATOM 895 N GLU A 57 -2.108 -7.357 -10.336 1.00 0.00 N ATOM 896 CA GLU A 57 -2.695 -7.238 -11.645 1.00 0.00 C ATOM 897 C GLU A 57 -2.444 -5.857 -12.252 1.00 0.00 C ATOM 898 O GLU A 57 -2.275 -5.722 -13.464 1.00 0.00 O ATOM 899 CB GLU A 57 -4.183 -7.523 -11.562 1.00 0.00 C ATOM 900 CG GLU A 57 -4.525 -8.961 -11.209 1.00 0.00 C ATOM 901 CD GLU A 57 -4.020 -9.932 -12.236 1.00 0.00 C ATOM 902 OE1 GLU A 57 -3.006 -10.615 -11.987 1.00 0.00 O ATOM 903 OE2 GLU A 57 -4.619 -10.014 -13.323 1.00 0.00 O ATOM 0 H GLU A 57 -2.790 -7.491 -9.590 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.222 -7.969 -12.301 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.627 -6.863 -10.817 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.642 -7.277 -12.519 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.096 -9.207 -10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.606 -9.063 -11.115 1.00 0.00 H new ATOM 910 N GLN A 58 -2.420 -4.829 -11.396 1.00 0.00 N ATOM 911 CA GLN A 58 -2.186 -3.457 -11.827 1.00 0.00 C ATOM 912 C GLN A 58 -0.693 -3.254 -12.103 1.00 0.00 C ATOM 913 O GLN A 58 -0.322 -2.543 -13.038 1.00 0.00 O ATOM 914 CB GLN A 58 -2.668 -2.485 -10.741 1.00 0.00 C ATOM 915 CG GLN A 58 -4.143 -2.622 -10.402 1.00 0.00 C ATOM 916 CD GLN A 58 -5.057 -2.253 -11.549 1.00 0.00 C ATOM 917 OE1 GLN A 58 -4.734 -1.395 -12.378 1.00 0.00 O ATOM 918 NE2 GLN A 58 -6.174 -2.909 -11.632 1.00 0.00 N ATOM 0 H GLN A 58 -2.562 -4.930 -10.391 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.743 -3.261 -12.743 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.081 -2.646 -9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.474 -1.464 -11.069 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.346 -3.650 -10.101 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.372 -1.988 -9.545 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.407 -3.610 -10.929 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.819 -2.723 -12.400 1.00 0.00 H new ATOM 927 N GLY A 59 0.141 -3.844 -11.296 1.00 0.00 N ATOM 928 CA GLY A 59 1.571 -3.795 -11.538 1.00 0.00 C ATOM 929 C GLY A 59 2.350 -3.380 -10.317 1.00 0.00 C ATOM 930 O GLY A 59 3.188 -2.489 -10.379 1.00 0.00 O ATOM 0 H GLY A 59 -0.134 -4.366 -10.464 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.914 -4.776 -11.868 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.775 -3.097 -12.350 1.00 0.00 H new ATOM 934 N VAL A 60 2.065 -4.011 -9.201 1.00 0.00 N ATOM 935 CA VAL A 60 2.727 -3.700 -7.948 1.00 0.00 C ATOM 936 C VAL A 60 3.215 -4.986 -7.317 1.00 0.00 C ATOM 937 O VAL A 60 2.475 -5.967 -7.256 1.00 0.00 O ATOM 938 CB VAL A 60 1.746 -3.028 -6.944 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.477 -2.545 -5.713 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.962 -1.896 -7.588 1.00 0.00 C ATOM 0 H VAL A 60 1.369 -4.754 -9.133 1.00 0.00 H new ATOM 0 HA VAL A 60 3.550 -3.019 -8.162 1.00 0.00 H new ATOM 0 HB VAL A 60 1.027 -3.788 -6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.768 -2.080 -5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.957 -3.390 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.234 -1.816 -6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.289 -1.455 -6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.653 -1.135 -7.950 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.381 -2.286 -8.424 1.00 0.00 H new ATOM 950 N GLU A 61 4.452 -4.991 -6.881 1.00 0.00 N ATOM 951 CA GLU A 61 4.988 -6.119 -6.160 1.00 0.00 C ATOM 952 C GLU A 61 4.788 -5.891 -4.693 1.00 0.00 C ATOM 953 O GLU A 61 5.082 -4.803 -4.188 1.00 0.00 O ATOM 954 CB GLU A 61 6.465 -6.287 -6.423 1.00 0.00 C ATOM 955 CG GLU A 61 6.803 -6.656 -7.832 1.00 0.00 C ATOM 956 CD GLU A 61 8.279 -6.889 -7.996 1.00 0.00 C ATOM 957 OE1 GLU A 61 9.047 -5.906 -8.077 1.00 0.00 O ATOM 958 OE2 GLU A 61 8.707 -8.057 -8.037 1.00 0.00 O ATOM 0 H GLU A 61 5.109 -4.222 -7.014 1.00 0.00 H new ATOM 0 HA GLU A 61 4.471 -7.019 -6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.975 -5.357 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.856 -7.055 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.257 -7.556 -8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.481 -5.862 -8.506 1.00 0.00 H new ATOM 965 N LEU A 62 4.271 -6.861 -4.014 1.00 0.00 N ATOM 966 CA LEU A 62 4.100 -6.736 -2.606 1.00 0.00 C ATOM 967 C LEU A 62 5.276 -7.358 -1.895 1.00 0.00 C ATOM 968 O LEU A 62 5.356 -8.579 -1.744 1.00 0.00 O ATOM 969 CB LEU A 62 2.784 -7.351 -2.123 1.00 0.00 C ATOM 970 CG LEU A 62 1.500 -6.872 -2.815 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.522 -5.394 -3.144 1.00 0.00 C ATOM 972 CD2 LEU A 62 1.133 -7.720 -4.009 1.00 0.00 C ATOM 0 H LEU A 62 3.960 -7.748 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 62 4.053 -5.673 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.851 -8.432 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.688 -7.153 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 62 0.703 -7.006 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.588 -5.116 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.638 -4.818 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.357 -5.182 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.218 -7.337 -4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.940 -7.686 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.976 -8.750 -3.689 1.00 0.00 H new ATOM 984 N ILE A 63 6.209 -6.530 -1.508 1.00 0.00 N ATOM 985 CA ILE A 63 7.400 -7.005 -0.837 1.00 0.00 C ATOM 986 C ILE A 63 7.191 -7.118 0.660 1.00 0.00 C ATOM 987 O ILE A 63 6.227 -6.571 1.227 1.00 0.00 O ATOM 988 CB ILE A 63 8.621 -6.129 -1.103 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.337 -4.702 -0.691 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.034 -6.218 -2.548 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.504 -3.767 -0.831 1.00 0.00 C ATOM 0 H ILE A 63 6.172 -5.520 -1.644 1.00 0.00 H new ATOM 0 HA ILE A 63 7.592 -7.993 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 63 9.455 -6.492 -0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.510 -4.322 -1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.006 -4.696 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.906 -5.586 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.281 -7.251 -2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.214 -5.881 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.209 -2.767 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.328 -4.117 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.823 -3.737 -1.873 1.00 0.00 H new