USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 424 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 36 ASN : amide:sc= -1.87 K(o=-3.3,f=-18!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -108:sc= -2.02! USER MOD Single : A 23 CYS SG : rot -14:sc= -2.53 USER MOD Single : A 27 THR OG1 : rot -90:sc= -0.718 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.56 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.207 USER MOD Single : A 43 MET CE :methyl -166:sc= -3.21! (180deg=-4.33!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -2.27! C(o=-2.3!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 11 -5.933 -10.068 -6.570 1.00 0.00 N ATOM 121 CA PRO A 11 -6.901 -9.805 -5.501 1.00 0.00 C ATOM 122 C PRO A 11 -8.083 -10.768 -5.539 1.00 0.00 C ATOM 123 O PRO A 11 -8.346 -11.405 -6.559 1.00 0.00 O ATOM 124 CB PRO A 11 -7.367 -8.375 -5.789 1.00 0.00 C ATOM 125 CG PRO A 11 -7.147 -8.192 -7.250 1.00 0.00 C ATOM 126 CD PRO A 11 -5.930 -9.007 -7.591 1.00 0.00 C ATOM 0 HA PRO A 11 -6.461 -9.934 -4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.416 -8.240 -5.527 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.798 -7.649 -5.209 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.013 -8.527 -7.820 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.993 -7.141 -7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.991 -9.419 -8.598 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.020 -8.409 -7.546 1.00 0.00 H new ATOM 134 N VAL A 12 -8.794 -10.869 -4.421 1.00 0.00 N ATOM 135 CA VAL A 12 -9.950 -11.753 -4.327 1.00 0.00 C ATOM 136 C VAL A 12 -11.239 -11.010 -4.655 1.00 0.00 C ATOM 137 O VAL A 12 -12.138 -11.557 -5.293 1.00 0.00 O ATOM 138 CB VAL A 12 -10.070 -12.372 -2.921 1.00 0.00 C ATOM 139 CG1 VAL A 12 -8.861 -13.243 -2.615 1.00 0.00 C ATOM 140 CG2 VAL A 12 -10.232 -11.282 -1.872 1.00 0.00 C ATOM 0 H VAL A 12 -8.590 -10.350 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.799 -12.550 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.958 -13.004 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.964 -13.671 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.795 -14.046 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.956 -12.637 -2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.315 -11.737 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.365 -10.622 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.132 -10.705 -2.083 1.00 0.00 H new ATOM 150 N ALA A 13 -11.322 -9.758 -4.215 1.00 0.00 N ATOM 151 CA ALA A 13 -12.501 -8.938 -4.465 1.00 0.00 C ATOM 152 C ALA A 13 -12.131 -7.462 -4.564 1.00 0.00 C ATOM 153 O ALA A 13 -11.127 -7.023 -4.001 1.00 0.00 O ATOM 154 CB ALA A 13 -13.535 -9.153 -3.370 1.00 0.00 C ATOM 0 H ALA A 13 -10.587 -9.290 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.930 -9.243 -5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.410 -8.534 -3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.829 -10.202 -3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.107 -8.876 -2.406 1.00 0.00 H new ATOM 160 N THR A 14 -12.948 -6.698 -5.283 1.00 0.00 N ATOM 161 CA THR A 14 -12.706 -5.272 -5.457 1.00 0.00 C ATOM 162 C THR A 14 -14.013 -4.488 -5.451 1.00 0.00 C ATOM 163 O THR A 14 -14.987 -4.881 -6.093 1.00 0.00 O ATOM 164 CB THR A 14 -11.955 -4.986 -6.771 1.00 0.00 C ATOM 165 OG1 THR A 14 -10.773 -5.791 -6.845 1.00 0.00 O ATOM 166 CG2 THR A 14 -11.580 -3.515 -6.872 1.00 0.00 C ATOM 0 H THR A 14 -13.784 -7.044 -5.754 1.00 0.00 H new ATOM 0 HA THR A 14 -12.089 -4.951 -4.617 1.00 0.00 H new ATOM 0 HB THR A 14 -12.616 -5.234 -7.602 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.302 -5.604 -7.684 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.051 -3.338 -7.808 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.484 -2.906 -6.845 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.936 -3.245 -6.035 1.00 0.00 H new ATOM 174 N ALA A 15 -14.027 -3.376 -4.723 1.00 0.00 N ATOM 175 CA ALA A 15 -15.215 -2.535 -4.637 1.00 0.00 C ATOM 176 C ALA A 15 -14.841 -1.056 -4.632 1.00 0.00 C ATOM 177 O ALA A 15 -14.024 -0.600 -3.832 1.00 0.00 O ATOM 178 CB ALA A 15 -16.018 -2.882 -3.392 1.00 0.00 C ATOM 0 H ALA A 15 -13.230 -3.037 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.829 -2.725 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.902 -2.247 -3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.324 -3.927 -3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.404 -2.721 -2.506 1.00 0.00 H new ATOM 184 N PRO A 16 -15.451 -0.288 -5.546 1.00 0.00 N ATOM 185 CA PRO A 16 -15.198 1.151 -5.668 1.00 0.00 C ATOM 186 C PRO A 16 -15.757 1.940 -4.489 1.00 0.00 C ATOM 187 O PRO A 16 -16.931 1.806 -4.141 1.00 0.00 O ATOM 188 CB PRO A 16 -15.926 1.532 -6.959 1.00 0.00 C ATOM 189 CG PRO A 16 -16.998 0.507 -7.106 1.00 0.00 C ATOM 190 CD PRO A 16 -16.437 -0.764 -6.532 1.00 0.00 C ATOM 0 HA PRO A 16 -14.132 1.377 -5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.345 2.536 -6.896 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.249 1.522 -7.813 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.902 0.809 -6.576 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.271 0.375 -8.153 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.213 -1.370 -6.064 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.971 -1.381 -7.301 1.00 0.00 H new ATOM 198 N ILE A 17 -14.910 2.761 -3.878 1.00 0.00 N ATOM 199 CA ILE A 17 -15.321 3.572 -2.738 1.00 0.00 C ATOM 200 C ILE A 17 -16.160 4.765 -3.186 1.00 0.00 C ATOM 201 O ILE A 17 -15.862 5.426 -4.181 1.00 0.00 O ATOM 202 CB ILE A 17 -14.105 4.084 -1.944 1.00 0.00 C ATOM 203 CG1 ILE A 17 -13.292 2.907 -1.400 1.00 0.00 C ATOM 204 CG2 ILE A 17 -14.558 4.992 -0.810 1.00 0.00 C ATOM 205 CD1 ILE A 17 -12.333 3.295 -0.296 1.00 0.00 C ATOM 0 H ILE A 17 -13.935 2.882 -4.153 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.921 2.930 -2.094 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.468 4.662 -2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.976 2.146 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.729 2.456 -2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.688 5.346 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -15.099 5.845 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.212 4.436 -0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.790 2.412 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.625 4.034 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.891 3.719 0.539 1.00 0.00 H new ATOM 217 N PRO A 18 -17.234 5.048 -2.435 1.00 0.00 N ATOM 218 CA PRO A 18 -18.137 6.164 -2.734 1.00 0.00 C ATOM 219 C PRO A 18 -17.484 7.520 -2.487 1.00 0.00 C ATOM 220 O PRO A 18 -16.826 7.726 -1.469 1.00 0.00 O ATOM 221 CB PRO A 18 -19.302 5.947 -1.764 1.00 0.00 C ATOM 222 CG PRO A 18 -18.714 5.176 -0.633 1.00 0.00 C ATOM 223 CD PRO A 18 -17.649 4.302 -1.235 1.00 0.00 C ATOM 0 HA PRO A 18 -18.434 6.178 -3.783 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.716 6.896 -1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -20.115 5.397 -2.238 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.292 5.845 0.117 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.474 4.576 -0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.817 4.151 -0.548 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -18.035 3.315 -1.489 1.00 0.00 H new ATOM 231 N GLY A 19 -17.673 8.442 -3.426 1.00 0.00 N ATOM 232 CA GLY A 19 -17.096 9.767 -3.292 1.00 0.00 C ATOM 233 C GLY A 19 -15.669 9.832 -3.798 1.00 0.00 C ATOM 234 O GLY A 19 -15.326 10.701 -4.600 1.00 0.00 O ATOM 0 H GLY A 19 -18.215 8.295 -4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.706 10.483 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.121 10.066 -2.244 1.00 0.00 H new ATOM 238 N THR A 20 -14.833 8.911 -3.329 1.00 0.00 N ATOM 239 CA THR A 20 -13.434 8.870 -3.737 1.00 0.00 C ATOM 240 C THR A 20 -13.216 7.849 -4.847 1.00 0.00 C ATOM 241 O THR A 20 -13.870 6.807 -4.903 1.00 0.00 O ATOM 242 CB THR A 20 -12.513 8.527 -2.551 1.00 0.00 C ATOM 243 OG1 THR A 20 -12.330 7.109 -2.467 1.00 0.00 O ATOM 244 CG2 THR A 20 -13.096 9.046 -1.245 1.00 0.00 C ATOM 0 H THR A 20 -15.100 8.183 -2.666 1.00 0.00 H new ATOM 0 HA THR A 20 -13.183 9.864 -4.107 1.00 0.00 H new ATOM 0 HB THR A 20 -11.549 9.008 -2.717 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.819 6.761 -1.692 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.428 8.792 -0.422 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.207 10.129 -1.301 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.071 8.590 -1.075 1.00 0.00 H new ATOM 252 N PRO A 21 -12.274 8.151 -5.754 1.00 0.00 N ATOM 253 CA PRO A 21 -11.947 7.270 -6.879 1.00 0.00 C ATOM 254 C PRO A 21 -11.245 5.993 -6.431 1.00 0.00 C ATOM 255 O PRO A 21 -10.965 5.110 -7.242 1.00 0.00 O ATOM 256 CB PRO A 21 -11.009 8.124 -7.736 1.00 0.00 C ATOM 257 CG PRO A 21 -10.401 9.093 -6.782 1.00 0.00 C ATOM 258 CD PRO A 21 -11.456 9.375 -5.749 1.00 0.00 C ATOM 0 HA PRO A 21 -12.840 6.933 -7.406 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.247 7.512 -8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.554 8.637 -8.528 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.505 8.677 -6.321 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.101 10.008 -7.293 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.018 9.562 -4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.047 10.254 -6.007 1.00 0.00 H new ATOM 266 N TRP A 22 -10.963 5.902 -5.136 1.00 0.00 N ATOM 267 CA TRP A 22 -10.293 4.732 -4.581 1.00 0.00 C ATOM 268 C TRP A 22 -11.216 3.518 -4.597 1.00 0.00 C ATOM 269 O TRP A 22 -12.439 3.656 -4.566 1.00 0.00 O ATOM 270 CB TRP A 22 -9.828 5.015 -3.151 1.00 0.00 C ATOM 271 CG TRP A 22 -8.672 5.966 -3.080 1.00 0.00 C ATOM 272 CD1 TRP A 22 -8.733 7.318 -2.899 1.00 0.00 C ATOM 273 CD2 TRP A 22 -7.283 5.636 -3.192 1.00 0.00 C ATOM 274 NE1 TRP A 22 -7.465 7.848 -2.891 1.00 0.00 N ATOM 275 CE2 TRP A 22 -6.558 6.837 -3.067 1.00 0.00 C ATOM 276 CE3 TRP A 22 -6.581 4.442 -3.382 1.00 0.00 C ATOM 277 CZ2 TRP A 22 -5.168 6.877 -3.129 1.00 0.00 C ATOM 278 CZ3 TRP A 22 -5.202 4.484 -3.443 1.00 0.00 C ATOM 279 CH2 TRP A 22 -4.506 5.694 -3.316 1.00 0.00 C ATOM 0 H TRP A 22 -11.188 6.624 -4.451 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.424 4.513 -5.202 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.661 5.424 -2.580 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.546 4.076 -2.675 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.643 7.887 -2.780 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.236 8.835 -2.773 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -7.107 3.504 -3.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -4.631 7.809 -3.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.650 3.568 -3.591 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.427 5.693 -3.367 1.00 0.00 H new ATOM 290 N CYS A 23 -10.623 2.330 -4.646 1.00 0.00 N ATOM 291 CA CYS A 23 -11.392 1.091 -4.667 1.00 0.00 C ATOM 292 C CYS A 23 -10.790 0.060 -3.719 1.00 0.00 C ATOM 293 O CYS A 23 -9.654 -0.378 -3.902 1.00 0.00 O ATOM 294 CB CYS A 23 -11.448 0.525 -6.087 1.00 0.00 C ATOM 295 SG CYS A 23 -12.078 1.686 -7.321 1.00 0.00 S ATOM 0 H CYS A 23 -9.612 2.199 -4.672 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.405 1.316 -4.333 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.447 0.208 -6.380 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.077 -0.365 -6.087 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.645 2.691 -6.722 1.00 0.00 H new ATOM 301 N VAL A 24 -11.557 -0.322 -2.703 1.00 0.00 N ATOM 302 CA VAL A 24 -11.099 -1.301 -1.725 1.00 0.00 C ATOM 303 C VAL A 24 -10.863 -2.659 -2.375 1.00 0.00 C ATOM 304 O VAL A 24 -11.799 -3.305 -2.847 1.00 0.00 O ATOM 305 CB VAL A 24 -12.113 -1.463 -0.576 1.00 0.00 C ATOM 306 CG1 VAL A 24 -11.606 -2.470 0.445 1.00 0.00 C ATOM 307 CG2 VAL A 24 -12.393 -0.120 0.081 1.00 0.00 C ATOM 0 H VAL A 24 -12.499 0.032 -2.536 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.158 -0.927 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 24 -13.048 -1.841 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.335 -2.571 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.462 -3.436 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.658 -2.125 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.111 -0.253 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.466 0.289 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.803 0.568 -0.658 1.00 0.00 H new ATOM 317 N VAL A 25 -9.605 -3.088 -2.397 1.00 0.00 N ATOM 318 CA VAL A 25 -9.245 -4.371 -2.988 1.00 0.00 C ATOM 319 C VAL A 25 -8.769 -5.353 -1.923 1.00 0.00 C ATOM 320 O VAL A 25 -7.912 -5.026 -1.102 1.00 0.00 O ATOM 321 CB VAL A 25 -8.143 -4.210 -4.052 1.00 0.00 C ATOM 322 CG1 VAL A 25 -7.801 -5.554 -4.676 1.00 0.00 C ATOM 323 CG2 VAL A 25 -8.572 -3.212 -5.116 1.00 0.00 C ATOM 0 H VAL A 25 -8.818 -2.565 -2.012 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.144 -4.763 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.247 -3.825 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.021 -5.419 -5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.447 -6.235 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.690 -5.972 -5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.781 -3.111 -5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.482 -3.565 -5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.760 -2.244 -4.652 1.00 0.00 H new ATOM 333 N TRP A 26 -9.330 -6.557 -1.944 1.00 0.00 N ATOM 334 CA TRP A 26 -8.961 -7.587 -0.979 1.00 0.00 C ATOM 335 C TRP A 26 -8.035 -8.619 -1.613 1.00 0.00 C ATOM 336 O TRP A 26 -7.942 -8.717 -2.837 1.00 0.00 O ATOM 337 CB TRP A 26 -10.214 -8.275 -0.434 1.00 0.00 C ATOM 338 CG TRP A 26 -11.022 -7.402 0.478 1.00 0.00 C ATOM 339 CD1 TRP A 26 -10.919 -7.319 1.837 1.00 0.00 C ATOM 340 CD2 TRP A 26 -12.057 -6.490 0.096 1.00 0.00 C ATOM 341 NE1 TRP A 26 -11.827 -6.411 2.323 1.00 0.00 N ATOM 342 CE2 TRP A 26 -12.538 -5.887 1.275 1.00 0.00 C ATOM 343 CE3 TRP A 26 -12.624 -6.122 -1.127 1.00 0.00 C ATOM 344 CZ2 TRP A 26 -13.558 -4.940 1.264 1.00 0.00 C ATOM 345 CZ3 TRP A 26 -13.637 -5.182 -1.136 1.00 0.00 C ATOM 346 CH2 TRP A 26 -14.095 -4.599 0.053 1.00 0.00 C ATOM 0 H TRP A 26 -10.041 -6.844 -2.617 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.431 -7.107 -0.156 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -10.838 -8.592 -1.269 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -9.920 -9.176 0.104 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -10.225 -7.885 2.441 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -11.952 -6.166 3.305 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.277 -6.564 -2.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -13.913 -4.490 2.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -14.083 -4.892 -2.076 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.887 -3.866 0.013 1.00 0.00 H new ATOM 357 N THR A 27 -7.350 -9.388 -0.772 1.00 0.00 N ATOM 358 CA THR A 27 -6.430 -10.412 -1.250 1.00 0.00 C ATOM 359 C THR A 27 -6.760 -11.773 -0.648 1.00 0.00 C ATOM 360 O THR A 27 -7.717 -11.910 0.113 1.00 0.00 O ATOM 361 CB THR A 27 -4.969 -10.056 -0.914 1.00 0.00 C ATOM 362 OG1 THR A 27 -4.843 -9.775 0.485 1.00 0.00 O ATOM 363 CG2 THR A 27 -4.505 -8.854 -1.722 1.00 0.00 C ATOM 0 H THR A 27 -7.415 -9.321 0.244 1.00 0.00 H new ATOM 0 HA THR A 27 -6.545 -10.459 -2.333 1.00 0.00 H new ATOM 0 HB THR A 27 -4.342 -10.910 -1.171 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.992 -8.819 0.641 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.471 -8.622 -1.468 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.575 -9.082 -2.786 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.137 -7.996 -1.493 1.00 0.00 H new ATOM 371 N GLY A 28 -5.962 -12.779 -0.994 1.00 0.00 N ATOM 372 CA GLY A 28 -6.187 -14.116 -0.478 1.00 0.00 C ATOM 373 C GLY A 28 -5.573 -14.319 0.893 1.00 0.00 C ATOM 374 O GLY A 28 -5.835 -15.323 1.556 1.00 0.00 O ATOM 0 H GLY A 28 -5.164 -12.691 -1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.259 -14.306 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.768 -14.845 -1.172 1.00 0.00 H new ATOM 378 N ASP A 29 -4.752 -13.365 1.319 1.00 0.00 N ATOM 379 CA ASP A 29 -4.098 -13.444 2.620 1.00 0.00 C ATOM 380 C ASP A 29 -4.906 -12.702 3.681 1.00 0.00 C ATOM 381 O ASP A 29 -4.345 -12.148 4.626 1.00 0.00 O ATOM 382 CB ASP A 29 -2.685 -12.865 2.540 1.00 0.00 C ATOM 383 CG ASP A 29 -1.759 -13.449 3.589 1.00 0.00 C ATOM 384 OD1 ASP A 29 -1.966 -14.618 3.978 1.00 0.00 O ATOM 385 OD2 ASP A 29 -0.828 -12.738 4.023 1.00 0.00 O ATOM 0 H ASP A 29 -4.524 -12.528 0.782 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.036 -14.494 2.905 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.273 -13.056 1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.732 -11.783 2.663 1.00 0.00 H new ATOM 390 N GLU A 30 -6.225 -12.695 3.515 1.00 0.00 N ATOM 391 CA GLU A 30 -7.109 -12.019 4.457 1.00 0.00 C ATOM 392 C GLU A 30 -6.680 -10.569 4.661 1.00 0.00 C ATOM 393 O GLU A 30 -6.809 -10.020 5.756 1.00 0.00 O ATOM 394 CB GLU A 30 -7.117 -12.754 5.800 1.00 0.00 C ATOM 395 CG GLU A 30 -7.700 -14.155 5.723 1.00 0.00 C ATOM 396 CD GLU A 30 -7.764 -14.834 7.078 1.00 0.00 C ATOM 397 OE1 GLU A 30 -8.165 -14.171 8.056 1.00 0.00 O ATOM 398 OE2 GLU A 30 -7.414 -16.030 7.158 1.00 0.00 O ATOM 0 H GLU A 30 -6.704 -13.149 2.738 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.116 -12.027 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.096 -12.814 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.690 -12.170 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.702 -14.105 5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.096 -14.759 5.046 1.00 0.00 H new ATOM 405 N ARG A 31 -6.169 -9.954 3.599 1.00 0.00 N ATOM 406 CA ARG A 31 -5.719 -8.569 3.662 1.00 0.00 C ATOM 407 C ARG A 31 -6.530 -7.691 2.712 1.00 0.00 C ATOM 408 O ARG A 31 -7.407 -8.177 1.998 1.00 0.00 O ATOM 409 CB ARG A 31 -4.232 -8.477 3.314 1.00 0.00 C ATOM 410 CG ARG A 31 -3.313 -8.724 4.499 1.00 0.00 C ATOM 411 CD ARG A 31 -1.857 -8.475 4.136 1.00 0.00 C ATOM 412 NE ARG A 31 -0.942 -9.071 5.106 1.00 0.00 N ATOM 413 CZ ARG A 31 -0.790 -8.620 6.346 1.00 0.00 C ATOM 414 NH1 ARG A 31 -1.488 -7.575 6.766 1.00 0.00 N ATOM 415 NH2 ARG A 31 0.063 -9.217 7.170 1.00 0.00 N ATOM 0 H ARG A 31 -6.057 -10.393 2.685 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.870 -8.210 4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.005 -9.201 2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.024 -7.489 2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.600 -8.073 5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.432 -9.750 4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.655 -8.886 3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.676 -7.402 4.079 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.390 -9.878 4.815 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.145 -7.114 6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.369 -7.232 7.719 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.602 -10.022 6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.180 -8.870 8.122 1.00 0.00 H new ATOM 429 N VAL A 32 -6.230 -6.396 2.711 1.00 0.00 N ATOM 430 CA VAL A 32 -6.930 -5.450 1.850 1.00 0.00 C ATOM 431 C VAL A 32 -6.117 -4.175 1.659 1.00 0.00 C ATOM 432 O VAL A 32 -5.536 -3.648 2.608 1.00 0.00 O ATOM 433 CB VAL A 32 -8.311 -5.084 2.425 1.00 0.00 C ATOM 434 CG1 VAL A 32 -8.175 -4.546 3.841 1.00 0.00 C ATOM 435 CG2 VAL A 32 -9.011 -4.074 1.527 1.00 0.00 C ATOM 0 H VAL A 32 -5.507 -5.978 3.297 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.064 -5.939 0.885 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.920 -5.987 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.161 -4.293 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.718 -5.305 4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.548 -3.654 3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.985 -3.827 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.406 -3.170 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.143 -4.501 0.533 1.00 0.00 H new ATOM 445 N PHE A 33 -6.079 -3.683 0.425 1.00 0.00 N ATOM 446 CA PHE A 33 -5.336 -2.469 0.108 1.00 0.00 C ATOM 447 C PHE A 33 -6.181 -1.519 -0.735 1.00 0.00 C ATOM 448 O PHE A 33 -7.208 -1.910 -1.291 1.00 0.00 O ATOM 449 CB PHE A 33 -4.044 -2.816 -0.634 1.00 0.00 C ATOM 450 CG PHE A 33 -4.274 -3.397 -2.000 1.00 0.00 C ATOM 451 CD1 PHE A 33 -4.616 -4.731 -2.151 1.00 0.00 C ATOM 452 CD2 PHE A 33 -4.149 -2.610 -3.133 1.00 0.00 C ATOM 453 CE1 PHE A 33 -4.829 -5.270 -3.406 1.00 0.00 C ATOM 454 CE2 PHE A 33 -4.361 -3.142 -4.390 1.00 0.00 C ATOM 455 CZ PHE A 33 -4.701 -4.474 -4.527 1.00 0.00 C ATOM 0 H PHE A 33 -6.554 -4.107 -0.372 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.086 -1.970 1.045 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.436 -1.916 -0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.472 -3.526 -0.038 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.717 -5.358 -1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.883 -1.568 -3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.095 -6.312 -3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.261 -2.517 -5.265 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.866 -4.892 -5.509 1.00 0.00 H new ATOM 465 N PHE A 34 -5.742 -0.268 -0.825 1.00 0.00 N ATOM 466 CA PHE A 34 -6.458 0.740 -1.599 1.00 0.00 C ATOM 467 C PHE A 34 -5.847 0.894 -2.989 1.00 0.00 C ATOM 468 O PHE A 34 -4.627 0.978 -3.136 1.00 0.00 O ATOM 469 CB PHE A 34 -6.438 2.084 -0.868 1.00 0.00 C ATOM 470 CG PHE A 34 -6.783 1.979 0.590 1.00 0.00 C ATOM 471 CD1 PHE A 34 -5.859 1.492 1.501 1.00 0.00 C ATOM 472 CD2 PHE A 34 -8.031 2.367 1.050 1.00 0.00 C ATOM 473 CE1 PHE A 34 -6.174 1.394 2.842 1.00 0.00 C ATOM 474 CE2 PHE A 34 -8.352 2.272 2.391 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.422 1.785 3.288 1.00 0.00 C ATOM 0 H PHE A 34 -4.894 0.072 -0.372 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.491 0.411 -1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.447 2.528 -0.968 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.141 2.762 -1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.882 1.186 1.158 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.762 2.748 0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.445 1.012 3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.328 2.578 2.737 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.670 1.710 4.337 1.00 0.00 H new ATOM 485 N TYR A 35 -6.702 0.931 -4.004 1.00 0.00 N ATOM 486 CA TYR A 35 -6.247 1.072 -5.382 1.00 0.00 C ATOM 487 C TYR A 35 -6.995 2.198 -6.090 1.00 0.00 C ATOM 488 O TYR A 35 -8.180 2.420 -5.847 1.00 0.00 O ATOM 489 CB TYR A 35 -6.442 -0.241 -6.142 1.00 0.00 C ATOM 490 CG TYR A 35 -6.389 -0.084 -7.645 1.00 0.00 C ATOM 491 CD1 TYR A 35 -5.221 0.320 -8.280 1.00 0.00 C ATOM 492 CD2 TYR A 35 -7.506 -0.339 -8.431 1.00 0.00 C ATOM 493 CE1 TYR A 35 -5.167 0.466 -9.653 1.00 0.00 C ATOM 494 CE2 TYR A 35 -7.461 -0.197 -9.804 1.00 0.00 C ATOM 495 CZ TYR A 35 -6.290 0.205 -10.410 1.00 0.00 C ATOM 496 OH TYR A 35 -6.242 0.349 -11.778 1.00 0.00 O ATOM 0 H TYR A 35 -7.714 0.865 -3.899 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.186 1.320 -5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.673 -0.948 -5.832 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.403 -0.673 -5.864 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.340 0.524 -7.690 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.426 -0.654 -7.960 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.251 0.782 -10.130 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.339 -0.400 -10.400 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.116 0.125 -12.161 1.00 0.00 H new ATOM 506 N ASN A 36 -6.291 2.906 -6.967 1.00 0.00 N ATOM 507 CA ASN A 36 -6.886 4.010 -7.711 1.00 0.00 C ATOM 508 C ASN A 36 -6.888 3.719 -9.209 1.00 0.00 C ATOM 509 O ASN A 36 -5.892 3.915 -9.905 1.00 0.00 O ATOM 510 CB ASN A 36 -6.126 5.309 -7.434 1.00 0.00 C ATOM 511 CG ASN A 36 -6.864 6.531 -7.943 1.00 0.00 C ATOM 512 OD1 ASN A 36 -7.146 6.647 -9.136 1.00 0.00 O ATOM 513 ND2 ASN A 36 -7.181 7.451 -7.039 1.00 0.00 N ATOM 0 H ASN A 36 -5.308 2.735 -7.180 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.918 4.123 -7.379 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.961 5.408 -6.361 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.144 5.259 -7.904 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.678 8.295 -7.323 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.927 7.313 -6.061 1.00 0.00 H new ATOM 520 N PRO A 37 -8.032 3.239 -9.717 1.00 0.00 N ATOM 521 CA PRO A 37 -8.192 2.911 -11.137 1.00 0.00 C ATOM 522 C PRO A 37 -8.206 4.154 -12.021 1.00 0.00 C ATOM 523 O PRO A 37 -8.272 4.056 -13.247 1.00 0.00 O ATOM 524 CB PRO A 37 -9.548 2.204 -11.188 1.00 0.00 C ATOM 525 CG PRO A 37 -10.293 2.727 -10.008 1.00 0.00 C ATOM 526 CD PRO A 37 -9.259 2.980 -8.945 1.00 0.00 C ATOM 0 HA PRO A 37 -7.366 2.305 -11.511 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.074 2.423 -12.117 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.432 1.121 -11.135 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.828 3.643 -10.259 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.037 2.008 -9.666 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.527 3.831 -8.319 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.144 2.121 -8.284 1.00 0.00 H new ATOM 534 N THR A 38 -8.142 5.323 -11.391 1.00 0.00 N ATOM 535 CA THR A 38 -8.148 6.585 -12.120 1.00 0.00 C ATOM 536 C THR A 38 -6.734 7.131 -12.286 1.00 0.00 C ATOM 537 O THR A 38 -6.437 7.831 -13.254 1.00 0.00 O ATOM 538 CB THR A 38 -9.014 7.641 -11.408 1.00 0.00 C ATOM 539 OG1 THR A 38 -10.312 7.104 -11.131 1.00 0.00 O ATOM 540 CG2 THR A 38 -9.150 8.894 -12.261 1.00 0.00 C ATOM 0 H THR A 38 -8.085 5.422 -10.377 1.00 0.00 H new ATOM 0 HA THR A 38 -8.573 6.380 -13.103 1.00 0.00 H new ATOM 0 HB THR A 38 -8.524 7.909 -10.472 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.856 7.781 -10.677 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.766 9.625 -11.738 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.163 9.317 -12.446 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.619 8.638 -13.211 1.00 0.00 H new ATOM 548 N THR A 39 -5.864 6.806 -11.334 1.00 0.00 N ATOM 549 CA THR A 39 -4.482 7.265 -11.375 1.00 0.00 C ATOM 550 C THR A 39 -3.513 6.088 -11.390 1.00 0.00 C ATOM 551 O THR A 39 -2.303 6.266 -11.242 1.00 0.00 O ATOM 552 CB THR A 39 -4.154 8.169 -10.171 1.00 0.00 C ATOM 553 OG1 THR A 39 -4.500 7.504 -8.951 1.00 0.00 O ATOM 554 CG2 THR A 39 -4.904 9.489 -10.266 1.00 0.00 C ATOM 0 H THR A 39 -6.093 6.227 -10.526 1.00 0.00 H new ATOM 0 HA THR A 39 -4.367 7.840 -12.294 1.00 0.00 H new ATOM 0 HB THR A 39 -3.084 8.376 -10.180 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.287 8.084 -8.190 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.657 10.111 -9.405 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.616 10.006 -11.182 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.977 9.298 -10.279 1.00 0.00 H new ATOM 562 N ARG A 40 -4.051 4.887 -11.571 1.00 0.00 N ATOM 563 CA ARG A 40 -3.233 3.680 -11.606 1.00 0.00 C ATOM 564 C ARG A 40 -2.264 3.647 -10.427 1.00 0.00 C ATOM 565 O ARG A 40 -1.092 3.299 -10.583 1.00 0.00 O ATOM 566 CB ARG A 40 -2.456 3.603 -12.921 1.00 0.00 C ATOM 567 CG ARG A 40 -3.342 3.651 -14.155 1.00 0.00 C ATOM 568 CD ARG A 40 -2.517 3.664 -15.433 1.00 0.00 C ATOM 569 NE ARG A 40 -3.293 3.227 -16.590 1.00 0.00 N ATOM 570 CZ ARG A 40 -2.842 3.277 -17.839 1.00 0.00 C ATOM 571 NH1 ARG A 40 -1.627 3.742 -18.090 1.00 0.00 N ATOM 572 NH2 ARG A 40 -3.608 2.860 -18.839 1.00 0.00 N ATOM 0 H ARG A 40 -5.050 4.723 -11.696 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.897 2.818 -11.534 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.745 4.428 -12.962 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.875 2.681 -12.937 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.008 2.788 -14.160 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.972 4.540 -14.118 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.138 4.671 -15.610 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.650 3.014 -15.312 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.233 2.863 -16.431 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.035 4.063 -17.324 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.283 3.779 -19.050 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.544 2.501 -18.649 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.261 2.899 -19.797 1.00 0.00 H new ATOM 586 N LEU A 41 -2.759 4.010 -9.250 1.00 0.00 N ATOM 587 CA LEU A 41 -1.938 4.022 -8.044 1.00 0.00 C ATOM 588 C LEU A 41 -2.373 2.925 -7.078 1.00 0.00 C ATOM 589 O LEU A 41 -3.566 2.706 -6.869 1.00 0.00 O ATOM 590 CB LEU A 41 -2.024 5.387 -7.358 1.00 0.00 C ATOM 591 CG LEU A 41 -0.854 5.754 -6.445 1.00 0.00 C ATOM 592 CD1 LEU A 41 -0.845 4.870 -5.207 1.00 0.00 C ATOM 593 CD2 LEU A 41 0.465 5.638 -7.195 1.00 0.00 C ATOM 0 H LEU A 41 -3.726 4.300 -9.104 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.905 3.834 -8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.112 6.153 -8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.941 5.419 -6.770 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.978 6.789 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.005 5.146 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.777 5.003 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.746 3.826 -5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.287 5.903 -6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.596 4.614 -7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.458 6.314 -8.050 1.00 0.00 H new ATOM 605 N SER A 42 -1.397 2.241 -6.489 1.00 0.00 N ATOM 606 CA SER A 42 -1.679 1.166 -5.545 1.00 0.00 C ATOM 607 C SER A 42 -0.799 1.288 -4.305 1.00 0.00 C ATOM 608 O SER A 42 0.428 1.260 -4.396 1.00 0.00 O ATOM 609 CB SER A 42 -1.459 -0.195 -6.209 1.00 0.00 C ATOM 610 OG SER A 42 -2.649 -0.663 -6.820 1.00 0.00 O ATOM 0 H SER A 42 -0.404 2.412 -6.649 1.00 0.00 H new ATOM 0 HA SER A 42 -2.722 1.248 -5.239 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.670 -0.115 -6.957 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.121 -0.916 -5.465 1.00 0.00 H new ATOM 0 HG SER A 42 -2.481 -1.533 -7.238 1.00 0.00 H new ATOM 616 N MET A 43 -1.436 1.422 -3.146 1.00 0.00 N ATOM 617 CA MET A 43 -0.712 1.547 -1.887 1.00 0.00 C ATOM 618 C MET A 43 -1.022 0.373 -0.963 1.00 0.00 C ATOM 619 O MET A 43 -1.912 -0.431 -1.243 1.00 0.00 O ATOM 620 CB MET A 43 -1.072 2.864 -1.195 1.00 0.00 C ATOM 621 CG MET A 43 -1.163 4.045 -2.148 1.00 0.00 C ATOM 622 SD MET A 43 -0.732 5.608 -1.359 1.00 0.00 S ATOM 623 CE MET A 43 -1.427 5.366 0.274 1.00 0.00 C ATOM 0 H MET A 43 -2.451 1.447 -3.053 1.00 0.00 H new ATOM 0 HA MET A 43 0.355 1.541 -2.108 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.027 2.747 -0.682 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.325 3.080 -0.432 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.499 3.875 -2.996 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.176 4.110 -2.545 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.466 6.321 0.798 1.00 0.00 H new ATOM 0 HE2 MET A 43 -2.435 4.960 0.184 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.804 4.670 0.835 1.00 0.00 H new ATOM 633 N TRP A 44 -0.284 0.281 0.137 1.00 0.00 N ATOM 634 CA TRP A 44 -0.481 -0.795 1.102 1.00 0.00 C ATOM 635 C TRP A 44 -1.227 -0.293 2.333 1.00 0.00 C ATOM 636 O TRP A 44 -1.741 -1.084 3.124 1.00 0.00 O ATOM 637 CB TRP A 44 0.866 -1.391 1.514 1.00 0.00 C ATOM 638 CG TRP A 44 1.301 -2.533 0.646 1.00 0.00 C ATOM 639 CD1 TRP A 44 2.396 -2.572 -0.169 1.00 0.00 C ATOM 640 CD2 TRP A 44 0.649 -3.800 0.507 1.00 0.00 C ATOM 641 NE1 TRP A 44 2.464 -3.787 -0.807 1.00 0.00 N ATOM 642 CE2 TRP A 44 1.404 -4.558 -0.409 1.00 0.00 C ATOM 643 CE3 TRP A 44 -0.497 -4.368 1.068 1.00 0.00 C ATOM 644 CZ2 TRP A 44 1.047 -5.853 -0.775 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -0.850 -5.654 0.703 1.00 0.00 C ATOM 646 CH2 TRP A 44 -0.080 -6.385 -0.211 1.00 0.00 C ATOM 0 H TRP A 44 0.456 0.938 0.383 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.083 -1.570 0.627 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.626 -0.610 1.482 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.803 -1.733 2.547 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.104 -1.766 -0.294 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.186 -4.069 -1.469 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.097 -3.813 1.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.639 -6.418 -1.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.735 -6.103 1.130 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.382 -7.388 -0.475 1.00 0.00 H new ATOM 657 N ASP A 45 -1.284 1.025 2.489 1.00 0.00 N ATOM 658 CA ASP A 45 -1.969 1.632 3.624 1.00 0.00 C ATOM 659 C ASP A 45 -3.050 2.599 3.152 1.00 0.00 C ATOM 660 O ASP A 45 -3.173 2.874 1.958 1.00 0.00 O ATOM 661 CB ASP A 45 -0.968 2.364 4.519 1.00 0.00 C ATOM 662 CG ASP A 45 -0.199 1.419 5.422 1.00 0.00 C ATOM 663 OD1 ASP A 45 -0.827 0.806 6.311 1.00 0.00 O ATOM 664 OD2 ASP A 45 1.029 1.292 5.239 1.00 0.00 O ATOM 0 H ASP A 45 -0.864 1.694 1.843 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.444 0.836 4.198 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.266 2.918 3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.498 3.095 5.130 1.00 0.00 H new ATOM 669 N ARG A 46 -3.832 3.112 4.097 1.00 0.00 N ATOM 670 CA ARG A 46 -4.904 4.046 3.777 1.00 0.00 C ATOM 671 C ARG A 46 -4.361 5.463 3.617 1.00 0.00 C ATOM 672 O ARG A 46 -3.888 6.084 4.569 1.00 0.00 O ATOM 673 CB ARG A 46 -5.975 4.019 4.870 1.00 0.00 C ATOM 674 CG ARG A 46 -7.251 4.753 4.490 1.00 0.00 C ATOM 675 CD ARG A 46 -7.202 6.212 4.916 1.00 0.00 C ATOM 676 NE ARG A 46 -7.515 6.379 6.333 1.00 0.00 N ATOM 677 CZ ARG A 46 -8.753 6.394 6.815 1.00 0.00 C ATOM 678 NH1 ARG A 46 -9.788 6.252 5.999 1.00 0.00 N ATOM 679 NH2 ARG A 46 -8.957 6.551 8.117 1.00 0.00 N ATOM 0 H ARG A 46 -3.743 2.896 5.090 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.351 3.738 2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.218 2.982 5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.567 4.463 5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.400 4.692 3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.106 4.265 4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.210 6.616 4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.908 6.788 4.318 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.741 6.490 6.988 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.635 6.131 4.998 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.737 6.264 6.372 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.163 6.660 8.748 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.908 6.562 8.487 1.00 0.00 H new ATOM 693 N PRO A 47 -4.429 5.987 2.385 1.00 0.00 N ATOM 694 CA PRO A 47 -3.948 7.336 2.071 1.00 0.00 C ATOM 695 C PRO A 47 -4.825 8.422 2.687 1.00 0.00 C ATOM 696 O PRO A 47 -5.970 8.170 3.061 1.00 0.00 O ATOM 697 CB PRO A 47 -4.023 7.392 0.543 1.00 0.00 C ATOM 698 CG PRO A 47 -5.072 6.400 0.178 1.00 0.00 C ATOM 699 CD PRO A 47 -4.980 5.304 1.203 1.00 0.00 C ATOM 0 HA PRO A 47 -2.950 7.516 2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.286 8.391 0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.064 7.139 0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.061 6.858 0.184 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.908 6.010 -0.826 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.956 4.866 1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.332 4.494 0.868 1.00 0.00 H new ATOM 707 N ASP A 48 -4.279 9.629 2.788 1.00 0.00 N ATOM 708 CA ASP A 48 -5.012 10.753 3.358 1.00 0.00 C ATOM 709 C ASP A 48 -6.275 11.042 2.552 1.00 0.00 C ATOM 710 O ASP A 48 -7.339 11.298 3.118 1.00 0.00 O ATOM 711 CB ASP A 48 -4.125 11.998 3.402 1.00 0.00 C ATOM 712 CG ASP A 48 -4.481 12.922 4.550 1.00 0.00 C ATOM 713 OD1 ASP A 48 -5.689 13.138 4.785 1.00 0.00 O ATOM 714 OD2 ASP A 48 -3.553 13.429 5.213 1.00 0.00 O ATOM 0 H ASP A 48 -3.332 9.854 2.483 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.303 10.488 4.374 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.082 11.695 3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.218 12.540 2.461 1.00 0.00 H new ATOM 719 N ASP A 49 -6.150 11.001 1.231 1.00 0.00 N ATOM 720 CA ASP A 49 -7.282 11.259 0.347 1.00 0.00 C ATOM 721 C ASP A 49 -8.544 10.579 0.869 1.00 0.00 C ATOM 722 O ASP A 49 -9.660 10.996 0.557 1.00 0.00 O ATOM 723 CB ASP A 49 -6.972 10.770 -1.069 1.00 0.00 C ATOM 724 CG ASP A 49 -6.080 11.730 -1.830 1.00 0.00 C ATOM 725 OD1 ASP A 49 -4.865 11.765 -1.543 1.00 0.00 O ATOM 726 OD2 ASP A 49 -6.596 12.446 -2.714 1.00 0.00 O ATOM 0 H ASP A 49 -5.277 10.792 0.748 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.455 12.335 0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.489 9.794 -1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.905 10.634 -1.616 1.00 0.00 H new ATOM 731 N LEU A 50 -8.360 9.530 1.663 1.00 0.00 N ATOM 732 CA LEU A 50 -9.484 8.792 2.227 1.00 0.00 C ATOM 733 C LEU A 50 -9.650 9.102 3.712 1.00 0.00 C ATOM 734 O LEU A 50 -10.766 9.119 4.231 1.00 0.00 O ATOM 735 CB LEU A 50 -9.284 7.288 2.028 1.00 0.00 C ATOM 736 CG LEU A 50 -9.410 6.779 0.592 1.00 0.00 C ATOM 737 CD1 LEU A 50 -9.076 5.297 0.520 1.00 0.00 C ATOM 738 CD2 LEU A 50 -10.810 7.038 0.056 1.00 0.00 C ATOM 0 H LEU A 50 -7.443 9.172 1.931 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.389 9.104 1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.296 7.021 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.012 6.760 2.645 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.698 7.322 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.171 4.952 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.054 5.137 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.763 4.738 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.882 6.669 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.540 6.522 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.013 8.109 0.071 1.00 0.00 H new ATOM 750 N ILE A 51 -8.532 9.349 4.387 1.00 0.00 N ATOM 751 CA ILE A 51 -8.554 9.662 5.810 1.00 0.00 C ATOM 752 C ILE A 51 -9.653 10.668 6.135 1.00 0.00 C ATOM 753 O ILE A 51 -9.653 11.789 5.628 1.00 0.00 O ATOM 754 CB ILE A 51 -7.201 10.226 6.284 1.00 0.00 C ATOM 755 CG1 ILE A 51 -6.114 9.154 6.185 1.00 0.00 C ATOM 756 CG2 ILE A 51 -7.313 10.744 7.709 1.00 0.00 C ATOM 757 CD1 ILE A 51 -4.735 9.657 6.547 1.00 0.00 C ATOM 0 H ILE A 51 -7.601 9.338 3.971 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.753 8.728 6.335 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.924 11.058 5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.373 8.324 6.842 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.093 8.762 5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.349 11.139 8.029 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.061 11.535 7.751 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.609 9.929 8.370 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.015 8.844 6.454 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.455 10.468 5.874 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.739 10.023 7.574 1.00 0.00 H new ATOM 769 N GLY A 52 -10.590 10.259 6.986 1.00 0.00 N ATOM 770 CA GLY A 52 -11.681 11.137 7.366 1.00 0.00 C ATOM 771 C GLY A 52 -13.034 10.594 6.950 1.00 0.00 C ATOM 772 O GLY A 52 -14.030 10.792 7.645 1.00 0.00 O ATOM 0 H GLY A 52 -10.613 9.336 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.668 11.282 8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.531 12.116 6.911 1.00 0.00 H new ATOM 776 N ARG A 53 -13.070 9.909 5.811 1.00 0.00 N ATOM 777 CA ARG A 53 -14.311 9.338 5.302 1.00 0.00 C ATOM 778 C ARG A 53 -14.647 8.036 6.024 1.00 0.00 C ATOM 779 O ARG A 53 -13.758 7.253 6.358 1.00 0.00 O ATOM 780 CB ARG A 53 -14.202 9.086 3.797 1.00 0.00 C ATOM 781 CG ARG A 53 -13.948 10.346 2.986 1.00 0.00 C ATOM 782 CD ARG A 53 -14.207 10.117 1.505 1.00 0.00 C ATOM 783 NE ARG A 53 -14.615 11.343 0.824 1.00 0.00 N ATOM 784 CZ ARG A 53 -15.822 11.883 0.944 1.00 0.00 C ATOM 785 NH1 ARG A 53 -16.735 11.309 1.715 1.00 0.00 N ATOM 786 NH2 ARG A 53 -16.118 13.001 0.293 1.00 0.00 N ATOM 0 H ARG A 53 -12.254 9.736 5.224 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.113 10.053 5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.395 8.377 3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.123 8.619 3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.590 11.149 3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.918 10.671 3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.305 9.725 1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.983 9.361 1.385 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.936 11.810 0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.511 10.450 2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.661 11.726 1.805 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.418 13.446 -0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.046 13.415 0.386 1.00 0.00 H new ATOM 800 N ALA A 54 -15.935 7.812 6.261 1.00 0.00 N ATOM 801 CA ALA A 54 -16.388 6.605 6.940 1.00 0.00 C ATOM 802 C ALA A 54 -16.605 5.465 5.950 1.00 0.00 C ATOM 803 O ALA A 54 -16.273 4.314 6.232 1.00 0.00 O ATOM 804 CB ALA A 54 -17.668 6.884 7.715 1.00 0.00 C ATOM 0 H ALA A 54 -16.683 8.451 5.993 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.611 6.299 7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.995 5.974 8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.482 7.661 8.457 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.445 7.218 7.027 1.00 0.00 H new ATOM 810 N ASP A 55 -17.163 5.794 4.791 1.00 0.00 N ATOM 811 CA ASP A 55 -17.424 4.797 3.758 1.00 0.00 C ATOM 812 C ASP A 55 -16.208 3.899 3.551 1.00 0.00 C ATOM 813 O ASP A 55 -16.313 2.673 3.599 1.00 0.00 O ATOM 814 CB ASP A 55 -17.799 5.481 2.443 1.00 0.00 C ATOM 815 CG ASP A 55 -18.910 6.498 2.615 1.00 0.00 C ATOM 816 OD1 ASP A 55 -19.859 6.216 3.377 1.00 0.00 O ATOM 817 OD2 ASP A 55 -18.833 7.575 1.987 1.00 0.00 O ATOM 0 H ASP A 55 -17.444 6.743 4.542 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.259 4.178 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.919 5.975 2.030 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.110 4.727 1.720 1.00 0.00 H new ATOM 822 N VAL A 56 -15.055 4.518 3.318 1.00 0.00 N ATOM 823 CA VAL A 56 -13.819 3.774 3.103 1.00 0.00 C ATOM 824 C VAL A 56 -13.614 2.723 4.188 1.00 0.00 C ATOM 825 O VAL A 56 -13.292 1.571 3.897 1.00 0.00 O ATOM 826 CB VAL A 56 -12.598 4.713 3.075 1.00 0.00 C ATOM 827 CG1 VAL A 56 -12.546 5.559 4.338 1.00 0.00 C ATOM 828 CG2 VAL A 56 -11.315 3.912 2.907 1.00 0.00 C ATOM 0 H VAL A 56 -14.951 5.532 3.273 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.911 3.279 2.136 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.696 5.383 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.677 6.216 4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.452 6.160 4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.471 4.908 5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.462 4.591 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.208 3.217 3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.354 3.354 1.971 1.00 0.00 H new ATOM 838 N ASP A 57 -13.802 3.128 5.439 1.00 0.00 N ATOM 839 CA ASP A 57 -13.640 2.220 6.569 1.00 0.00 C ATOM 840 C ASP A 57 -14.717 1.140 6.558 1.00 0.00 C ATOM 841 O ASP A 57 -14.416 -0.053 6.544 1.00 0.00 O ATOM 842 CB ASP A 57 -13.691 2.996 7.886 1.00 0.00 C ATOM 843 CG ASP A 57 -12.392 3.719 8.183 1.00 0.00 C ATOM 844 OD1 ASP A 57 -11.329 3.234 7.743 1.00 0.00 O ATOM 845 OD2 ASP A 57 -12.439 4.770 8.856 1.00 0.00 O ATOM 0 H ASP A 57 -14.067 4.079 5.696 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.667 1.737 6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.505 3.720 7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.915 2.308 8.701 1.00 0.00 H new ATOM 850 N LYS A 58 -15.975 1.567 6.565 1.00 0.00 N ATOM 851 CA LYS A 58 -17.099 0.638 6.556 1.00 0.00 C ATOM 852 C LYS A 58 -16.852 -0.506 5.578 1.00 0.00 C ATOM 853 O LYS A 58 -16.903 -1.677 5.953 1.00 0.00 O ATOM 854 CB LYS A 58 -18.390 1.371 6.184 1.00 0.00 C ATOM 855 CG LYS A 58 -19.629 0.494 6.252 1.00 0.00 C ATOM 856 CD LYS A 58 -20.884 1.273 5.896 1.00 0.00 C ATOM 857 CE LYS A 58 -22.120 0.388 5.939 1.00 0.00 C ATOM 858 NZ LYS A 58 -22.365 -0.288 4.635 1.00 0.00 N ATOM 0 H LYS A 58 -16.242 2.551 6.577 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.201 0.221 7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.520 2.222 6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.293 1.771 5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.517 -0.349 5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.729 0.081 7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.006 2.105 6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.777 1.702 4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.002 -0.363 6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -22.989 0.990 6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.216 -0.882 4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.503 0.428 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.547 -0.883 4.393 1.00 0.00 H new ATOM 872 N ILE A 59 -16.581 -0.158 4.324 1.00 0.00 N ATOM 873 CA ILE A 59 -16.323 -1.156 3.294 1.00 0.00 C ATOM 874 C ILE A 59 -15.321 -2.199 3.778 1.00 0.00 C ATOM 875 O ILE A 59 -15.606 -3.397 3.772 1.00 0.00 O ATOM 876 CB ILE A 59 -15.789 -0.508 2.003 1.00 0.00 C ATOM 877 CG1 ILE A 59 -16.809 0.489 1.447 1.00 0.00 C ATOM 878 CG2 ILE A 59 -15.465 -1.575 0.969 1.00 0.00 C ATOM 879 CD1 ILE A 59 -16.210 1.493 0.488 1.00 0.00 C ATOM 0 H ILE A 59 -16.535 0.807 3.998 1.00 0.00 H new ATOM 0 HA ILE A 59 -17.275 -1.642 3.080 1.00 0.00 H new ATOM 0 HB ILE A 59 -14.872 0.032 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.601 -0.060 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.273 1.023 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.089 -1.101 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.707 -2.249 1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.367 -2.141 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -16.989 2.168 0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.437 2.068 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.771 0.968 -0.361 1.00 0.00 H new ATOM 891 N ILE A 60 -14.149 -1.735 4.198 1.00 0.00 N ATOM 892 CA ILE A 60 -13.106 -2.628 4.688 1.00 0.00 C ATOM 893 C ILE A 60 -13.608 -3.470 5.856 1.00 0.00 C ATOM 894 O ILE A 60 -13.274 -4.649 5.972 1.00 0.00 O ATOM 895 CB ILE A 60 -11.858 -1.844 5.133 1.00 0.00 C ATOM 896 CG1 ILE A 60 -11.184 -1.187 3.927 1.00 0.00 C ATOM 897 CG2 ILE A 60 -10.884 -2.764 5.855 1.00 0.00 C ATOM 898 CD1 ILE A 60 -10.377 0.043 4.280 1.00 0.00 C ATOM 0 H ILE A 60 -13.898 -0.746 4.209 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.837 -3.284 3.860 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.167 -1.060 5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.530 -1.914 3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.948 -0.914 3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.007 -2.195 6.163 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.368 -3.189 6.734 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.578 -3.568 5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.928 0.455 3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.030 0.789 4.734 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.591 -0.228 4.985 1.00 0.00 H new ATOM 910 N GLN A 61 -14.412 -2.857 6.718 1.00 0.00 N ATOM 911 CA GLN A 61 -14.961 -3.551 7.877 1.00 0.00 C ATOM 912 C GLN A 61 -15.787 -4.759 7.447 1.00 0.00 C ATOM 913 O GLN A 61 -15.490 -5.891 7.825 1.00 0.00 O ATOM 914 CB GLN A 61 -15.822 -2.598 8.708 1.00 0.00 C ATOM 915 CG GLN A 61 -15.044 -1.434 9.299 1.00 0.00 C ATOM 916 CD GLN A 61 -15.649 -0.925 10.593 1.00 0.00 C ATOM 917 OE1 GLN A 61 -16.719 -0.315 10.594 1.00 0.00 O ATOM 918 NE2 GLN A 61 -14.966 -1.173 11.704 1.00 0.00 N ATOM 0 H GLN A 61 -14.698 -1.881 6.636 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.129 -3.902 8.487 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.624 -2.207 8.082 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.292 -3.158 9.517 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.015 -1.745 9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.008 -0.621 8.574 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -14.083 -1.682 11.657 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.324 -0.855 12.604 1.00 0.00 H new ATOM 927 N GLU A 62 -16.825 -4.508 6.656 1.00 0.00 N ATOM 928 CA GLU A 62 -17.695 -5.576 6.176 1.00 0.00 C ATOM 929 C GLU A 62 -17.569 -5.743 4.665 1.00 0.00 C ATOM 930 O GLU A 62 -18.326 -5.164 3.886 1.00 0.00 O ATOM 931 CB GLU A 62 -19.150 -5.285 6.549 1.00 0.00 C ATOM 932 CG GLU A 62 -20.150 -6.187 5.846 1.00 0.00 C ATOM 933 CD GLU A 62 -21.489 -6.239 6.556 1.00 0.00 C ATOM 934 OE1 GLU A 62 -22.132 -5.176 6.688 1.00 0.00 O ATOM 935 OE2 GLU A 62 -21.894 -7.341 6.981 1.00 0.00 O ATOM 0 H GLU A 62 -17.084 -3.576 6.334 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.384 -6.505 6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.269 -5.395 7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.378 -4.247 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.298 -5.833 4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.740 -7.195 5.778 1.00 0.00 H new ATOM 942 N PRO A 63 -16.588 -6.553 4.239 1.00 0.00 N ATOM 943 CA PRO A 63 -16.339 -6.815 2.819 1.00 0.00 C ATOM 944 C PRO A 63 -17.441 -7.654 2.182 1.00 0.00 C ATOM 945 O PRO A 63 -18.107 -8.452 2.842 1.00 0.00 O ATOM 946 CB PRO A 63 -15.017 -7.587 2.827 1.00 0.00 C ATOM 947 CG PRO A 63 -14.960 -8.226 4.172 1.00 0.00 C ATOM 948 CD PRO A 63 -15.647 -7.275 5.112 1.00 0.00 C ATOM 0 HA PRO A 63 -16.308 -5.895 2.235 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.989 -8.333 2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.169 -6.921 2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.458 -9.195 4.165 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.928 -8.400 4.478 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.166 -7.804 5.911 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.938 -6.597 5.587 1.00 0.00 H new ATOM 956 N PRO A 64 -17.640 -7.472 0.868 1.00 0.00 N ATOM 957 CA PRO A 64 -18.661 -8.205 0.113 1.00 0.00 C ATOM 958 C PRO A 64 -18.318 -9.682 -0.044 1.00 0.00 C ATOM 959 O PRO A 64 -19.167 -10.552 0.154 1.00 0.00 O ATOM 960 CB PRO A 64 -18.662 -7.509 -1.250 1.00 0.00 C ATOM 961 CG PRO A 64 -17.299 -6.920 -1.376 1.00 0.00 C ATOM 962 CD PRO A 64 -16.883 -6.538 0.018 1.00 0.00 C ATOM 0 HA PRO A 64 -19.628 -8.190 0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.864 -8.216 -2.055 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.432 -6.739 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.602 -7.638 -1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.309 -6.050 -2.033 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.808 -6.646 0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.131 -5.500 0.241 1.00 0.00 H new ATOM 970 N HIS A 65 -17.067 -9.960 -0.399 1.00 0.00 N ATOM 971 CA HIS A 65 -16.611 -11.334 -0.581 1.00 0.00 C ATOM 972 C HIS A 65 -17.025 -12.205 0.601 1.00 0.00 C ATOM 973 O HIS A 65 -17.061 -13.431 0.500 1.00 0.00 O ATOM 974 CB HIS A 65 -15.092 -11.371 -0.750 1.00 0.00 C ATOM 975 CG HIS A 65 -14.343 -11.280 0.544 1.00 0.00 C ATOM 976 ND1 HIS A 65 -13.901 -10.087 1.075 1.00 0.00 N ATOM 977 CD2 HIS A 65 -13.961 -12.243 1.415 1.00 0.00 C ATOM 978 CE1 HIS A 65 -13.277 -10.320 2.216 1.00 0.00 C ATOM 979 NE2 HIS A 65 -13.300 -11.620 2.445 1.00 0.00 N ATOM 0 H HIS A 65 -16.352 -9.253 -0.566 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.079 -11.730 -1.482 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -14.814 -12.295 -1.257 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -14.786 -10.548 -1.396 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -14.142 -13.303 1.318 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.825 -9.574 2.853 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.893 -12.086 3.256 1.00 0.00 H new