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= -1.2 K(o=-1.9,f=-18!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -0.713 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -109:sc= -2.29! USER MOD Single : A 23 CYS SG : rot -160:sc= -0.593 USER MOD Single : A 27 THR OG1 : rot -11:sc= -0.0574 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.576 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 23:sc= 0.939 USER MOD Single : A 43 MET CE :methyl -159:sc= -0.112 (180deg=-1.36) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0342 X(o=-0.034,f=-0.28) USER MOD Single : A 65 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 11 -5.578 -10.081 -6.262 1.00 0.00 N ATOM 121 CA PRO A 11 -6.701 -9.733 -5.386 1.00 0.00 C ATOM 122 C PRO A 11 -7.826 -10.760 -5.451 1.00 0.00 C ATOM 123 O PRO A 11 -7.881 -11.579 -6.369 1.00 0.00 O ATOM 124 CB PRO A 11 -7.175 -8.385 -5.936 1.00 0.00 C ATOM 125 CG PRO A 11 -6.751 -8.388 -7.364 1.00 0.00 C ATOM 126 CD PRO A 11 -5.467 -9.169 -7.413 1.00 0.00 C ATOM 0 HA PRO A 11 -6.406 -9.701 -4.337 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.256 -8.278 -5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.725 -7.555 -5.391 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.511 -8.847 -7.996 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.604 -7.372 -7.730 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.365 -9.716 -8.350 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.597 -8.518 -7.327 1.00 0.00 H new ATOM 134 N VAL A 12 -8.722 -10.712 -4.470 1.00 0.00 N ATOM 135 CA VAL A 12 -9.847 -11.638 -4.417 1.00 0.00 C ATOM 136 C VAL A 12 -11.170 -10.906 -4.614 1.00 0.00 C ATOM 137 O VAL A 12 -12.146 -11.485 -5.091 1.00 0.00 O ATOM 138 CB VAL A 12 -9.887 -12.396 -3.077 1.00 0.00 C ATOM 139 CG1 VAL A 12 -8.686 -13.320 -2.950 1.00 0.00 C ATOM 140 CG2 VAL A 12 -9.943 -11.417 -1.913 1.00 0.00 C ATOM 0 H VAL A 12 -8.691 -10.042 -3.702 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.707 -12.354 -5.227 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.789 -13.007 -3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.732 -13.847 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.696 -14.043 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.769 -12.733 -2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.971 -11.970 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.060 -10.778 -1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.838 -10.801 -1.998 1.00 0.00 H new ATOM 150 N ALA A 13 -11.196 -9.630 -4.245 1.00 0.00 N ATOM 151 CA ALA A 13 -12.398 -8.818 -4.383 1.00 0.00 C ATOM 152 C ALA A 13 -12.050 -7.340 -4.524 1.00 0.00 C ATOM 153 O ALA A 13 -11.080 -6.861 -3.935 1.00 0.00 O ATOM 154 CB ALA A 13 -13.321 -9.034 -3.193 1.00 0.00 C ATOM 0 H ALA A 13 -10.397 -9.136 -3.848 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.915 -9.130 -5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.215 -8.421 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.606 -10.085 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.804 -8.751 -2.276 1.00 0.00 H new ATOM 160 N THR A 14 -12.846 -6.621 -5.308 1.00 0.00 N ATOM 161 CA THR A 14 -12.621 -5.198 -5.528 1.00 0.00 C ATOM 162 C THR A 14 -13.933 -4.423 -5.497 1.00 0.00 C ATOM 163 O THR A 14 -14.912 -4.815 -6.131 1.00 0.00 O ATOM 164 CB THR A 14 -11.918 -4.942 -6.874 1.00 0.00 C ATOM 165 OG1 THR A 14 -10.759 -5.776 -6.988 1.00 0.00 O ATOM 166 CG2 THR A 14 -11.512 -3.481 -7.004 1.00 0.00 C ATOM 0 H THR A 14 -13.653 -7.001 -5.802 1.00 0.00 H new ATOM 0 HA THR A 14 -11.978 -4.851 -4.719 1.00 0.00 H new ATOM 0 HB THR A 14 -12.618 -5.181 -7.675 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.319 -5.608 -7.847 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.017 -3.325 -7.963 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.399 -2.850 -6.946 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.828 -3.220 -6.196 1.00 0.00 H new ATOM 174 N ALA A 15 -13.945 -3.319 -4.756 1.00 0.00 N ATOM 175 CA ALA A 15 -15.137 -2.487 -4.645 1.00 0.00 C ATOM 176 C ALA A 15 -14.776 -1.005 -4.673 1.00 0.00 C ATOM 177 O ALA A 15 -13.962 -0.525 -3.884 1.00 0.00 O ATOM 178 CB ALA A 15 -15.899 -2.823 -3.372 1.00 0.00 C ATOM 0 H ALA A 15 -13.143 -2.981 -4.224 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.776 -2.695 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.787 -2.194 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.198 -3.871 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.260 -2.645 -2.507 1.00 0.00 H new ATOM 184 N PRO A 16 -15.394 -0.262 -5.603 1.00 0.00 N ATOM 185 CA PRO A 16 -15.153 1.176 -5.755 1.00 0.00 C ATOM 186 C PRO A 16 -15.718 1.984 -4.593 1.00 0.00 C ATOM 187 O PRO A 16 -16.893 1.855 -4.247 1.00 0.00 O ATOM 188 CB PRO A 16 -15.886 1.522 -7.054 1.00 0.00 C ATOM 189 CG PRO A 16 -16.949 0.485 -7.177 1.00 0.00 C ATOM 190 CD PRO A 16 -16.376 -0.768 -6.577 1.00 0.00 C ATOM 0 HA PRO A 16 -14.089 1.412 -5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.313 2.524 -7.013 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.210 1.499 -7.908 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.854 0.790 -6.652 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.223 0.328 -8.220 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.146 -1.371 -6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.905 -1.397 -7.333 1.00 0.00 H new ATOM 198 N ILE A 17 -14.875 2.819 -3.993 1.00 0.00 N ATOM 199 CA ILE A 17 -15.292 3.649 -2.871 1.00 0.00 C ATOM 200 C ILE A 17 -16.165 4.809 -3.339 1.00 0.00 C ATOM 201 O ILE A 17 -15.884 5.464 -4.342 1.00 0.00 O ATOM 202 CB ILE A 17 -14.080 4.211 -2.105 1.00 0.00 C ATOM 203 CG1 ILE A 17 -13.226 3.069 -1.550 1.00 0.00 C ATOM 204 CG2 ILE A 17 -14.541 5.129 -0.983 1.00 0.00 C ATOM 205 CD1 ILE A 17 -12.339 3.483 -0.397 1.00 0.00 C ATOM 0 H ILE A 17 -13.899 2.938 -4.266 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.869 3.009 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.470 4.793 -2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.881 2.262 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.604 2.669 -2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.673 5.518 -0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -15.111 5.958 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.170 4.570 -0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.763 2.624 -0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.659 4.269 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.956 3.856 0.421 1.00 0.00 H new ATOM 217 N PRO A 18 -17.250 5.070 -2.595 1.00 0.00 N ATOM 218 CA PRO A 18 -18.185 6.154 -2.913 1.00 0.00 C ATOM 219 C PRO A 18 -17.575 7.532 -2.684 1.00 0.00 C ATOM 220 O PRO A 18 -17.089 7.834 -1.595 1.00 0.00 O ATOM 221 CB PRO A 18 -19.347 5.915 -1.945 1.00 0.00 C ATOM 222 CG PRO A 18 -18.740 5.180 -0.800 1.00 0.00 C ATOM 223 CD PRO A 18 -17.647 4.330 -1.386 1.00 0.00 C ATOM 0 HA PRO A 18 -18.478 6.145 -3.963 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.792 6.856 -1.621 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -20.140 5.332 -2.414 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.341 5.873 -0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.483 4.565 -0.293 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.813 4.214 -0.694 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -18.003 3.328 -1.627 1.00 0.00 H new ATOM 231 N GLY A 19 -17.604 8.366 -3.719 1.00 0.00 N ATOM 232 CA GLY A 19 -17.051 9.704 -3.610 1.00 0.00 C ATOM 233 C GLY A 19 -15.622 9.782 -4.108 1.00 0.00 C ATOM 234 O GLY A 19 -15.300 10.602 -4.969 1.00 0.00 O ATOM 0 H GLY A 19 -18.000 8.139 -4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.670 10.397 -4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.088 10.026 -2.569 1.00 0.00 H new ATOM 238 N THR A 20 -14.760 8.929 -3.566 1.00 0.00 N ATOM 239 CA THR A 20 -13.356 8.907 -3.958 1.00 0.00 C ATOM 240 C THR A 20 -13.111 7.887 -5.064 1.00 0.00 C ATOM 241 O THR A 20 -13.766 6.847 -5.140 1.00 0.00 O ATOM 242 CB THR A 20 -12.444 8.578 -2.761 1.00 0.00 C ATOM 243 OG1 THR A 20 -12.238 7.164 -2.675 1.00 0.00 O ATOM 244 CG2 THR A 20 -13.050 9.088 -1.463 1.00 0.00 C ATOM 0 H THR A 20 -15.009 8.243 -2.853 1.00 0.00 H new ATOM 0 HA THR A 20 -13.114 9.904 -4.326 1.00 0.00 H new ATOM 0 HB THR A 20 -11.486 9.074 -2.916 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.718 6.810 -1.897 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.388 8.844 -0.632 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.177 10.169 -1.521 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.020 8.617 -1.305 1.00 0.00 H new ATOM 252 N PRO A 21 -12.144 8.189 -5.944 1.00 0.00 N ATOM 253 CA PRO A 21 -11.789 7.310 -7.062 1.00 0.00 C ATOM 254 C PRO A 21 -11.102 6.030 -6.598 1.00 0.00 C ATOM 255 O PRO A 21 -10.752 5.173 -7.409 1.00 0.00 O ATOM 256 CB PRO A 21 -10.825 8.163 -7.891 1.00 0.00 C ATOM 257 CG PRO A 21 -10.240 9.127 -6.919 1.00 0.00 C ATOM 258 CD PRO A 21 -11.323 9.411 -5.914 1.00 0.00 C ATOM 0 HA PRO A 21 -12.668 6.977 -7.613 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.052 7.550 -8.354 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.347 8.680 -8.696 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.359 8.706 -6.435 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.923 10.042 -7.420 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.912 9.595 -4.921 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.904 10.292 -6.187 1.00 0.00 H new ATOM 266 N TRP A 22 -10.914 5.906 -5.289 1.00 0.00 N ATOM 267 CA TRP A 22 -10.270 4.729 -4.717 1.00 0.00 C ATOM 268 C TRP A 22 -11.203 3.524 -4.757 1.00 0.00 C ATOM 269 O TRP A 22 -12.424 3.675 -4.822 1.00 0.00 O ATOM 270 CB TRP A 22 -9.838 5.008 -3.277 1.00 0.00 C ATOM 271 CG TRP A 22 -8.655 5.924 -3.178 1.00 0.00 C ATOM 272 CD1 TRP A 22 -8.679 7.282 -3.044 1.00 0.00 C ATOM 273 CD2 TRP A 22 -7.274 5.546 -3.207 1.00 0.00 C ATOM 274 NE1 TRP A 22 -7.397 7.772 -2.989 1.00 0.00 N ATOM 275 CE2 TRP A 22 -6.517 6.727 -3.086 1.00 0.00 C ATOM 276 CE3 TRP A 22 -6.604 4.325 -3.322 1.00 0.00 C ATOM 277 CZ2 TRP A 22 -5.124 6.720 -3.077 1.00 0.00 C ATOM 278 CZ3 TRP A 22 -5.223 4.320 -3.314 1.00 0.00 C ATOM 279 CH2 TRP A 22 -4.495 5.511 -3.191 1.00 0.00 C ATOM 0 H TRP A 22 -11.198 6.606 -4.604 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.388 4.501 -5.316 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.674 5.447 -2.733 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.599 4.064 -2.788 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.575 7.883 -2.989 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.142 8.755 -2.892 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -7.156 3.402 -3.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -4.561 7.637 -2.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.695 3.382 -3.404 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.416 5.473 -3.186 1.00 0.00 H new ATOM 290 N CYS A 23 -10.623 2.330 -4.717 1.00 0.00 N ATOM 291 CA CYS A 23 -11.404 1.099 -4.749 1.00 0.00 C ATOM 292 C CYS A 23 -10.829 0.065 -3.786 1.00 0.00 C ATOM 293 O CYS A 23 -9.696 -0.389 -3.950 1.00 0.00 O ATOM 294 CB CYS A 23 -11.438 0.529 -6.168 1.00 0.00 C ATOM 295 SG CYS A 23 -11.829 1.748 -7.445 1.00 0.00 S ATOM 0 H CYS A 23 -9.614 2.188 -4.662 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.421 1.335 -4.435 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.469 0.082 -6.392 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.175 -0.273 -6.208 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.245 1.138 -8.515 1.00 0.00 H new ATOM 301 N VAL A 24 -11.617 -0.301 -2.780 1.00 0.00 N ATOM 302 CA VAL A 24 -11.186 -1.281 -1.790 1.00 0.00 C ATOM 303 C VAL A 24 -10.966 -2.648 -2.429 1.00 0.00 C ATOM 304 O VAL A 24 -11.891 -3.242 -2.983 1.00 0.00 O ATOM 305 CB VAL A 24 -12.215 -1.418 -0.652 1.00 0.00 C ATOM 306 CG1 VAL A 24 -11.756 -2.456 0.361 1.00 0.00 C ATOM 307 CG2 VAL A 24 -12.448 -0.073 0.019 1.00 0.00 C ATOM 0 H VAL A 24 -12.557 0.066 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.244 -0.921 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 24 -13.160 -1.755 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.496 -2.539 1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.644 -3.421 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.799 -2.152 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.178 -0.188 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.509 0.295 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.825 0.639 -0.715 1.00 0.00 H new ATOM 317 N VAL A 25 -9.735 -3.142 -2.347 1.00 0.00 N ATOM 318 CA VAL A 25 -9.393 -4.440 -2.915 1.00 0.00 C ATOM 319 C VAL A 25 -8.855 -5.384 -1.845 1.00 0.00 C ATOM 320 O VAL A 25 -7.933 -5.039 -1.107 1.00 0.00 O ATOM 321 CB VAL A 25 -8.346 -4.304 -4.037 1.00 0.00 C ATOM 322 CG1 VAL A 25 -7.989 -5.669 -4.604 1.00 0.00 C ATOM 323 CG2 VAL A 25 -8.857 -3.380 -5.132 1.00 0.00 C ATOM 0 H VAL A 25 -8.958 -2.663 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.311 -4.854 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.442 -3.866 -3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.248 -5.552 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.579 -6.296 -3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.884 -6.139 -5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.105 -3.295 -5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.776 -3.788 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.056 -2.394 -4.712 1.00 0.00 H new ATOM 333 N TRP A 26 -9.437 -6.575 -1.769 1.00 0.00 N ATOM 334 CA TRP A 26 -9.016 -7.570 -0.789 1.00 0.00 C ATOM 335 C TRP A 26 -7.995 -8.529 -1.391 1.00 0.00 C ATOM 336 O TRP A 26 -7.792 -8.555 -2.606 1.00 0.00 O ATOM 337 CB TRP A 26 -10.225 -8.351 -0.272 1.00 0.00 C ATOM 338 CG TRP A 26 -11.102 -7.551 0.643 1.00 0.00 C ATOM 339 CD1 TRP A 26 -11.092 -7.568 2.009 1.00 0.00 C ATOM 340 CD2 TRP A 26 -12.117 -6.619 0.258 1.00 0.00 C ATOM 341 NE1 TRP A 26 -12.041 -6.702 2.496 1.00 0.00 N ATOM 342 CE2 TRP A 26 -12.683 -6.106 1.442 1.00 0.00 C ATOM 343 CE3 TRP A 26 -12.603 -6.165 -0.971 1.00 0.00 C ATOM 344 CZ2 TRP A 26 -13.709 -5.165 1.430 1.00 0.00 C ATOM 345 CZ3 TRP A 26 -13.621 -5.231 -0.982 1.00 0.00 C ATOM 346 CH2 TRP A 26 -14.165 -4.739 0.212 1.00 0.00 C ATOM 0 H TRP A 26 -10.201 -6.876 -2.374 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.548 -7.047 0.045 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -10.816 -8.695 -1.121 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -9.876 -9.239 0.255 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -10.435 -8.173 2.616 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -12.236 -6.530 3.482 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.190 -6.538 -1.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -14.130 -4.785 2.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -14.004 -4.874 -1.927 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.960 -4.009 0.170 1.00 0.00 H new ATOM 357 N THR A 27 -7.353 -9.318 -0.535 1.00 0.00 N ATOM 358 CA THR A 27 -6.353 -10.278 -0.984 1.00 0.00 C ATOM 359 C THR A 27 -6.585 -11.648 -0.356 1.00 0.00 C ATOM 360 O THR A 27 -7.436 -11.804 0.519 1.00 0.00 O ATOM 361 CB THR A 27 -4.927 -9.805 -0.643 1.00 0.00 C ATOM 362 OG1 THR A 27 -4.864 -9.385 0.725 1.00 0.00 O ATOM 363 CG2 THR A 27 -4.506 -8.659 -1.550 1.00 0.00 C ATOM 0 H THR A 27 -7.508 -9.311 0.473 1.00 0.00 H new ATOM 0 HA THR A 27 -6.453 -10.356 -2.067 1.00 0.00 H new ATOM 0 HB THR A 27 -4.244 -10.640 -0.798 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.771 -9.325 1.091 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.496 -8.342 -1.291 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.527 -8.990 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.193 -7.823 -1.422 1.00 0.00 H new ATOM 371 N GLY A 28 -5.821 -12.639 -0.808 1.00 0.00 N ATOM 372 CA GLY A 28 -5.960 -13.983 -0.278 1.00 0.00 C ATOM 373 C GLY A 28 -5.385 -14.117 1.118 1.00 0.00 C ATOM 374 O GLY A 28 -5.746 -15.032 1.859 1.00 0.00 O ATOM 0 H GLY A 28 -5.109 -12.535 -1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.015 -14.256 -0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.459 -14.686 -0.943 1.00 0.00 H new ATOM 378 N ASP A 29 -4.488 -13.206 1.477 1.00 0.00 N ATOM 379 CA ASP A 29 -3.862 -13.227 2.794 1.00 0.00 C ATOM 380 C ASP A 29 -4.665 -12.398 3.792 1.00 0.00 C ATOM 381 O ASP A 29 -4.114 -11.554 4.496 1.00 0.00 O ATOM 382 CB ASP A 29 -2.429 -12.698 2.710 1.00 0.00 C ATOM 383 CG ASP A 29 -1.523 -13.312 3.758 1.00 0.00 C ATOM 384 OD1 ASP A 29 -1.665 -14.523 4.030 1.00 0.00 O ATOM 385 OD2 ASP A 29 -0.671 -12.582 4.308 1.00 0.00 O ATOM 0 H ASP A 29 -4.178 -12.444 0.875 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.840 -14.260 3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.026 -12.905 1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.437 -11.615 2.831 1.00 0.00 H new ATOM 390 N GLU A 30 -5.970 -12.646 3.844 1.00 0.00 N ATOM 391 CA GLU A 30 -6.849 -11.921 4.754 1.00 0.00 C ATOM 392 C GLU A 30 -6.408 -10.467 4.893 1.00 0.00 C ATOM 393 O GLU A 30 -6.355 -9.926 5.997 1.00 0.00 O ATOM 394 CB GLU A 30 -6.865 -12.594 6.128 1.00 0.00 C ATOM 395 CG GLU A 30 -7.303 -14.049 6.087 1.00 0.00 C ATOM 396 CD GLU A 30 -7.585 -14.611 7.467 1.00 0.00 C ATOM 397 OE1 GLU A 30 -8.188 -13.892 8.290 1.00 0.00 O ATOM 398 OE2 GLU A 30 -7.202 -15.772 7.723 1.00 0.00 O ATOM 0 H GLU A 30 -6.441 -13.343 3.267 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.856 -11.939 4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.868 -12.536 6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.534 -12.040 6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.199 -14.138 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.527 -14.645 5.607 1.00 0.00 H new ATOM 405 N ARG A 31 -6.091 -9.840 3.764 1.00 0.00 N ATOM 406 CA ARG A 31 -5.653 -8.450 3.760 1.00 0.00 C ATOM 407 C ARG A 31 -6.392 -7.650 2.691 1.00 0.00 C ATOM 408 O ARG A 31 -7.025 -8.219 1.802 1.00 0.00 O ATOM 409 CB ARG A 31 -4.144 -8.370 3.519 1.00 0.00 C ATOM 410 CG ARG A 31 -3.321 -8.407 4.797 1.00 0.00 C ATOM 411 CD ARG A 31 -3.121 -7.013 5.371 1.00 0.00 C ATOM 412 NE ARG A 31 -2.689 -7.052 6.766 1.00 0.00 N ATOM 413 CZ ARG A 31 -3.524 -7.193 7.789 1.00 0.00 C ATOM 414 NH1 ARG A 31 -4.827 -7.309 7.575 1.00 0.00 N ATOM 415 NH2 ARG A 31 -3.055 -7.220 9.030 1.00 0.00 N ATOM 0 H ARG A 31 -6.130 -10.273 2.841 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.883 -8.020 4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.842 -9.199 2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.919 -7.451 2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.819 -9.037 5.534 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.351 -8.861 4.593 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.379 -6.479 4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.053 -6.453 5.296 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.692 -6.966 6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.191 -7.290 6.622 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.466 -7.417 8.363 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.053 -7.132 9.198 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.697 -7.328 9.815 1.00 0.00 H new ATOM 429 N VAL A 32 -6.307 -6.327 2.785 1.00 0.00 N ATOM 430 CA VAL A 32 -6.967 -5.449 1.827 1.00 0.00 C ATOM 431 C VAL A 32 -6.169 -4.167 1.615 1.00 0.00 C ATOM 432 O VAL A 32 -5.662 -3.574 2.568 1.00 0.00 O ATOM 433 CB VAL A 32 -8.391 -5.083 2.288 1.00 0.00 C ATOM 434 CG1 VAL A 32 -8.357 -4.442 3.667 1.00 0.00 C ATOM 435 CG2 VAL A 32 -9.058 -4.162 1.278 1.00 0.00 C ATOM 0 H VAL A 32 -5.787 -5.840 3.515 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.027 -5.997 0.886 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.980 -5.998 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.371 -4.190 3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.922 -5.140 4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.753 -3.535 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.063 -3.914 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.473 -3.248 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.117 -4.663 0.312 1.00 0.00 H new ATOM 445 N PHE A 33 -6.061 -3.744 0.360 1.00 0.00 N ATOM 446 CA PHE A 33 -5.324 -2.532 0.022 1.00 0.00 C ATOM 447 C PHE A 33 -6.198 -1.568 -0.775 1.00 0.00 C ATOM 448 O PHE A 33 -7.294 -1.921 -1.209 1.00 0.00 O ATOM 449 CB PHE A 33 -4.068 -2.881 -0.779 1.00 0.00 C ATOM 450 CG PHE A 33 -4.358 -3.593 -2.069 1.00 0.00 C ATOM 451 CD1 PHE A 33 -4.637 -4.950 -2.079 1.00 0.00 C ATOM 452 CD2 PHE A 33 -4.351 -2.905 -3.272 1.00 0.00 C ATOM 453 CE1 PHE A 33 -4.905 -5.608 -3.265 1.00 0.00 C ATOM 454 CE2 PHE A 33 -4.618 -3.558 -4.460 1.00 0.00 C ATOM 455 CZ PHE A 33 -4.894 -4.911 -4.457 1.00 0.00 C ATOM 0 H PHE A 33 -6.475 -4.223 -0.440 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.030 -2.044 0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.518 -1.965 -0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.418 -3.506 -0.166 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.645 -5.500 -1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.134 -1.847 -3.281 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.123 -6.666 -3.259 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.611 -3.010 -5.391 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.101 -5.423 -5.385 1.00 0.00 H new ATOM 465 N PHE A 34 -5.704 -0.349 -0.962 1.00 0.00 N ATOM 466 CA PHE A 34 -6.439 0.668 -1.705 1.00 0.00 C ATOM 467 C PHE A 34 -5.866 0.837 -3.109 1.00 0.00 C ATOM 468 O PHE A 34 -4.661 1.021 -3.282 1.00 0.00 O ATOM 469 CB PHE A 34 -6.397 2.004 -0.961 1.00 0.00 C ATOM 470 CG PHE A 34 -6.783 1.897 0.487 1.00 0.00 C ATOM 471 CD1 PHE A 34 -5.825 1.646 1.456 1.00 0.00 C ATOM 472 CD2 PHE A 34 -8.103 2.046 0.878 1.00 0.00 C ATOM 473 CE1 PHE A 34 -6.178 1.546 2.788 1.00 0.00 C ATOM 474 CE2 PHE A 34 -8.462 1.948 2.209 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.498 1.698 3.166 1.00 0.00 C ATOM 0 H PHE A 34 -4.798 -0.041 -0.609 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.475 0.341 -1.791 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.391 2.418 -1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.066 2.708 -1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.791 1.527 1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.861 2.241 0.134 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.422 1.349 3.534 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.495 2.067 2.500 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.775 1.622 4.207 1.00 0.00 H new ATOM 485 N TYR A 35 -6.738 0.772 -4.109 1.00 0.00 N ATOM 486 CA TYR A 35 -6.319 0.914 -5.499 1.00 0.00 C ATOM 487 C TYR A 35 -7.021 2.096 -6.161 1.00 0.00 C ATOM 488 O TYR A 35 -8.133 2.463 -5.782 1.00 0.00 O ATOM 489 CB TYR A 35 -6.614 -0.370 -6.276 1.00 0.00 C ATOM 490 CG TYR A 35 -6.510 -0.207 -7.776 1.00 0.00 C ATOM 491 CD1 TYR A 35 -5.326 0.214 -8.368 1.00 0.00 C ATOM 492 CD2 TYR A 35 -7.597 -0.473 -8.600 1.00 0.00 C ATOM 493 CE1 TYR A 35 -5.227 0.365 -9.738 1.00 0.00 C ATOM 494 CE2 TYR A 35 -7.506 -0.326 -9.971 1.00 0.00 C ATOM 495 CZ TYR A 35 -6.319 0.093 -10.535 1.00 0.00 C ATOM 496 OH TYR A 35 -6.225 0.242 -11.900 1.00 0.00 O ATOM 0 H TYR A 35 -7.739 0.622 -3.983 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.245 1.099 -5.512 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.920 -1.147 -5.954 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.617 -0.714 -6.025 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.468 0.427 -7.747 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.528 -0.800 -8.162 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.299 0.694 -10.182 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.360 -0.538 -10.598 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.082 0.009 -12.314 1.00 0.00 H new ATOM 506 N ASN A 36 -6.363 2.686 -7.153 1.00 0.00 N ATOM 507 CA ASN A 36 -6.923 3.827 -7.870 1.00 0.00 C ATOM 508 C ASN A 36 -6.818 3.626 -9.378 1.00 0.00 C ATOM 509 O ASN A 36 -5.780 3.875 -9.992 1.00 0.00 O ATOM 510 CB ASN A 36 -6.202 5.114 -7.464 1.00 0.00 C ATOM 511 CG ASN A 36 -6.913 6.357 -7.964 1.00 0.00 C ATOM 512 OD1 ASN A 36 -7.253 6.459 -9.143 1.00 0.00 O ATOM 513 ND2 ASN A 36 -7.141 7.309 -7.067 1.00 0.00 N ATOM 0 H ASN A 36 -5.442 2.394 -7.479 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.977 3.910 -7.605 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.123 5.156 -6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.185 5.097 -7.857 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.616 8.168 -7.345 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.841 7.181 -6.100 1.00 0.00 H new ATOM 520 N PRO A 37 -7.918 3.165 -9.992 1.00 0.00 N ATOM 521 CA PRO A 37 -7.975 2.922 -11.436 1.00 0.00 C ATOM 522 C PRO A 37 -7.948 4.215 -12.244 1.00 0.00 C ATOM 523 O PRO A 37 -7.916 4.191 -13.474 1.00 0.00 O ATOM 524 CB PRO A 37 -9.315 2.204 -11.622 1.00 0.00 C ATOM 525 CG PRO A 37 -10.145 2.647 -10.467 1.00 0.00 C ATOM 526 CD PRO A 37 -9.190 2.847 -9.323 1.00 0.00 C ATOM 0 HA PRO A 37 -7.116 2.350 -11.787 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.780 2.473 -12.570 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.187 1.122 -11.626 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.675 3.571 -10.699 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.899 1.900 -10.219 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.512 3.656 -8.667 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.107 1.951 -8.707 1.00 0.00 H new ATOM 534 N THR A 38 -7.960 5.345 -11.543 1.00 0.00 N ATOM 535 CA THR A 38 -7.937 6.649 -12.195 1.00 0.00 C ATOM 536 C THR A 38 -6.523 7.217 -12.238 1.00 0.00 C ATOM 537 O THR A 38 -6.155 7.926 -13.176 1.00 0.00 O ATOM 538 CB THR A 38 -8.859 7.652 -11.477 1.00 0.00 C ATOM 539 OG1 THR A 38 -10.194 7.138 -11.422 1.00 0.00 O ATOM 540 CG2 THR A 38 -8.856 8.996 -12.190 1.00 0.00 C ATOM 0 H THR A 38 -7.986 5.383 -10.524 1.00 0.00 H new ATOM 0 HA THR A 38 -8.297 6.500 -13.213 1.00 0.00 H new ATOM 0 HB THR A 38 -8.484 7.796 -10.464 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.773 7.781 -10.962 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.514 9.688 -11.665 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.843 9.398 -12.204 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.209 8.866 -13.213 1.00 0.00 H new ATOM 548 N THR A 39 -5.731 6.900 -11.218 1.00 0.00 N ATOM 549 CA THR A 39 -4.357 7.379 -11.140 1.00 0.00 C ATOM 550 C THR A 39 -3.372 6.217 -11.078 1.00 0.00 C ATOM 551 O THR A 39 -2.195 6.405 -10.770 1.00 0.00 O ATOM 552 CB THR A 39 -4.146 8.282 -9.910 1.00 0.00 C ATOM 553 OG1 THR A 39 -4.440 7.555 -8.712 1.00 0.00 O ATOM 554 CG2 THR A 39 -5.029 9.519 -9.989 1.00 0.00 C ATOM 0 H THR A 39 -6.018 6.313 -10.435 1.00 0.00 H new ATOM 0 HA THR A 39 -4.173 7.960 -12.044 1.00 0.00 H new ATOM 0 HB THR A 39 -3.103 8.600 -9.894 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.302 8.136 -7.935 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.863 10.141 -9.110 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.782 10.086 -10.887 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.076 9.217 -10.027 1.00 0.00 H new ATOM 562 N ARG A 40 -3.861 5.017 -11.374 1.00 0.00 N ATOM 563 CA ARG A 40 -3.023 3.825 -11.351 1.00 0.00 C ATOM 564 C ARG A 40 -2.170 3.784 -10.086 1.00 0.00 C ATOM 565 O ARG A 40 -1.010 3.369 -10.120 1.00 0.00 O ATOM 566 CB ARG A 40 -2.123 3.784 -12.587 1.00 0.00 C ATOM 567 CG ARG A 40 -2.888 3.640 -13.893 1.00 0.00 C ATOM 568 CD ARG A 40 -1.946 3.532 -15.082 1.00 0.00 C ATOM 569 NE ARG A 40 -2.665 3.287 -16.329 1.00 0.00 N ATOM 570 CZ ARG A 40 -2.104 3.372 -17.530 1.00 0.00 C ATOM 571 NH1 ARG A 40 -0.822 3.693 -17.645 1.00 0.00 N ATOM 572 NH2 ARG A 40 -2.824 3.134 -18.619 1.00 0.00 N ATOM 0 H ARG A 40 -4.833 4.845 -11.632 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.676 2.952 -11.357 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.528 4.696 -12.623 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.425 2.952 -12.491 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.522 2.755 -13.849 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.547 4.498 -14.026 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.368 4.452 -15.171 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.235 2.724 -14.909 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.652 3.037 -16.275 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.265 3.875 -16.810 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.393 3.758 -18.568 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.810 2.885 -18.534 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.392 3.200 -19.541 1.00 0.00 H new ATOM 586 N LEU A 41 -2.750 4.217 -8.973 1.00 0.00 N ATOM 587 CA LEU A 41 -2.044 4.230 -7.697 1.00 0.00 C ATOM 588 C LEU A 41 -2.577 3.145 -6.767 1.00 0.00 C ATOM 589 O LEU A 41 -3.784 3.042 -6.545 1.00 0.00 O ATOM 590 CB LEU A 41 -2.179 5.601 -7.031 1.00 0.00 C ATOM 591 CG LEU A 41 -1.035 6.013 -6.105 1.00 0.00 C ATOM 592 CD1 LEU A 41 -0.843 4.984 -5.002 1.00 0.00 C ATOM 593 CD2 LEU A 41 0.252 6.196 -6.896 1.00 0.00 C ATOM 0 H LEU A 41 -3.708 4.564 -8.928 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.990 4.029 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.276 6.354 -7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.106 5.615 -6.458 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.293 6.966 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.024 5.295 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.759 4.903 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.608 4.016 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.056 6.489 -6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.514 5.258 -7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.109 6.972 -7.649 1.00 0.00 H new ATOM 605 N SER A 42 -1.670 2.339 -6.225 1.00 0.00 N ATOM 606 CA SER A 42 -2.050 1.260 -5.320 1.00 0.00 C ATOM 607 C SER A 42 -1.098 1.189 -4.130 1.00 0.00 C ATOM 608 O SER A 42 0.065 0.813 -4.274 1.00 0.00 O ATOM 609 CB SER A 42 -2.059 -0.077 -6.062 1.00 0.00 C ATOM 610 OG SER A 42 -0.753 -0.439 -6.477 1.00 0.00 O ATOM 0 H SER A 42 -0.667 2.412 -6.396 1.00 0.00 H new ATOM 0 HA SER A 42 -3.053 1.467 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.466 -0.853 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.714 -0.010 -6.930 1.00 0.00 H new ATOM 0 HG SER A 42 -0.093 0.014 -5.912 1.00 0.00 H new ATOM 616 N MET A 43 -1.601 1.552 -2.955 1.00 0.00 N ATOM 617 CA MET A 43 -0.795 1.528 -1.739 1.00 0.00 C ATOM 618 C MET A 43 -1.276 0.435 -0.790 1.00 0.00 C ATOM 619 O MET A 43 -2.372 -0.103 -0.953 1.00 0.00 O ATOM 620 CB MET A 43 -0.849 2.887 -1.040 1.00 0.00 C ATOM 621 CG MET A 43 -0.948 4.061 -2.000 1.00 0.00 C ATOM 622 SD MET A 43 -0.216 5.568 -1.332 1.00 0.00 S ATOM 623 CE MET A 43 -0.746 5.474 0.376 1.00 0.00 C ATOM 0 H MET A 43 -2.562 1.866 -2.819 1.00 0.00 H new ATOM 0 HA MET A 43 0.236 1.313 -2.020 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.706 2.906 -0.366 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.043 3.006 -0.425 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.451 3.804 -2.935 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.996 4.245 -2.236 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.709 6.467 0.824 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.767 5.094 0.420 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.086 4.803 0.926 1.00 0.00 H new ATOM 633 N TRP A 44 -0.451 0.112 0.199 1.00 0.00 N ATOM 634 CA TRP A 44 -0.793 -0.918 1.174 1.00 0.00 C ATOM 635 C TRP A 44 -1.424 -0.302 2.418 1.00 0.00 C ATOM 636 O TRP A 44 -1.917 -1.014 3.292 1.00 0.00 O ATOM 637 CB TRP A 44 0.452 -1.717 1.561 1.00 0.00 C ATOM 638 CG TRP A 44 0.707 -2.891 0.664 1.00 0.00 C ATOM 639 CD1 TRP A 44 1.768 -3.064 -0.177 1.00 0.00 C ATOM 640 CD2 TRP A 44 -0.116 -4.053 0.520 1.00 0.00 C ATOM 641 NE1 TRP A 44 1.654 -4.264 -0.837 1.00 0.00 N ATOM 642 CE2 TRP A 44 0.507 -4.890 -0.426 1.00 0.00 C ATOM 643 CE3 TRP A 44 -1.319 -4.469 1.098 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -0.033 -6.116 -0.805 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -1.853 -5.686 0.721 1.00 0.00 C ATOM 646 CH2 TRP A 44 -1.211 -6.499 -0.223 1.00 0.00 C ATOM 0 H TRP A 44 0.459 0.548 0.347 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.519 -1.590 0.716 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.319 -1.057 1.540 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.345 -2.069 2.587 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.578 -2.361 -0.305 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.316 -4.629 -1.522 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.822 -3.850 1.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.460 -6.743 -1.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.782 -6.017 1.162 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.654 -7.445 -0.496 1.00 0.00 H new ATOM 657 N ASP A 45 -1.404 1.025 2.490 1.00 0.00 N ATOM 658 CA ASP A 45 -1.976 1.736 3.628 1.00 0.00 C ATOM 659 C ASP A 45 -3.064 2.704 3.172 1.00 0.00 C ATOM 660 O ASP A 45 -3.259 2.915 1.975 1.00 0.00 O ATOM 661 CB ASP A 45 -0.884 2.496 4.382 1.00 0.00 C ATOM 662 CG ASP A 45 -1.332 2.936 5.762 1.00 0.00 C ATOM 663 OD1 ASP A 45 -1.597 2.056 6.608 1.00 0.00 O ATOM 664 OD2 ASP A 45 -1.419 4.159 5.996 1.00 0.00 O ATOM 0 H ASP A 45 -0.999 1.629 1.775 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.425 1.001 4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.002 1.862 4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.588 3.371 3.803 1.00 0.00 H new ATOM 669 N ARG A 46 -3.770 3.288 4.135 1.00 0.00 N ATOM 670 CA ARG A 46 -4.840 4.231 3.832 1.00 0.00 C ATOM 671 C ARG A 46 -4.273 5.609 3.502 1.00 0.00 C ATOM 672 O ARG A 46 -3.707 6.295 4.353 1.00 0.00 O ATOM 673 CB ARG A 46 -5.806 4.336 5.014 1.00 0.00 C ATOM 674 CG ARG A 46 -7.204 4.784 4.620 1.00 0.00 C ATOM 675 CD ARG A 46 -7.338 6.298 4.670 1.00 0.00 C ATOM 676 NE ARG A 46 -8.697 6.716 5.001 1.00 0.00 N ATOM 677 CZ ARG A 46 -9.191 6.699 6.234 1.00 0.00 C ATOM 678 NH1 ARG A 46 -8.442 6.286 7.247 1.00 0.00 N ATOM 679 NH2 ARG A 46 -10.438 7.095 6.456 1.00 0.00 N ATOM 0 H ARG A 46 -3.620 3.125 5.131 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.380 3.861 2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.870 3.366 5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.400 5.038 5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.431 4.431 3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.935 4.331 5.290 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.645 6.699 5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.054 6.719 3.706 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.300 7.039 4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.483 5.980 7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.824 6.274 8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.018 7.413 5.680 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.816 7.082 7.403 1.00 0.00 H new ATOM 693 N PRO A 47 -4.426 6.024 2.236 1.00 0.00 N ATOM 694 CA PRO A 47 -3.937 7.323 1.764 1.00 0.00 C ATOM 695 C PRO A 47 -4.730 8.488 2.346 1.00 0.00 C ATOM 696 O PRO A 47 -5.841 8.307 2.845 1.00 0.00 O ATOM 697 CB PRO A 47 -4.133 7.246 0.248 1.00 0.00 C ATOM 698 CG PRO A 47 -5.236 6.263 0.058 1.00 0.00 C ATOM 699 CD PRO A 47 -5.091 5.258 1.168 1.00 0.00 C ATOM 0 HA PRO A 47 -2.905 7.504 2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.394 8.219 -0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.221 6.920 -0.253 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.208 6.754 0.101 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.165 5.781 -0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.058 4.874 1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.495 4.400 0.858 1.00 0.00 H new ATOM 707 N ASP A 48 -4.152 9.682 2.278 1.00 0.00 N ATOM 708 CA ASP A 48 -4.806 10.878 2.797 1.00 0.00 C ATOM 709 C ASP A 48 -6.105 11.157 2.046 1.00 0.00 C ATOM 710 O ASP A 48 -7.145 11.404 2.656 1.00 0.00 O ATOM 711 CB ASP A 48 -3.872 12.084 2.690 1.00 0.00 C ATOM 712 CG ASP A 48 -2.974 12.014 1.470 1.00 0.00 C ATOM 713 OD1 ASP A 48 -1.950 11.301 1.526 1.00 0.00 O ATOM 714 OD2 ASP A 48 -3.296 12.672 0.459 1.00 0.00 O ATOM 0 H ASP A 48 -3.232 9.848 1.869 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.044 10.705 3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.466 12.997 2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.257 12.144 3.588 1.00 0.00 H new ATOM 719 N ASP A 49 -6.035 11.116 0.720 1.00 0.00 N ATOM 720 CA ASP A 49 -7.205 11.365 -0.114 1.00 0.00 C ATOM 721 C ASP A 49 -8.450 10.721 0.489 1.00 0.00 C ATOM 722 O ASP A 49 -9.572 11.164 0.242 1.00 0.00 O ATOM 723 CB ASP A 49 -6.973 10.828 -1.528 1.00 0.00 C ATOM 724 CG ASP A 49 -6.068 11.727 -2.347 1.00 0.00 C ATOM 725 OD1 ASP A 49 -6.181 12.964 -2.214 1.00 0.00 O ATOM 726 OD2 ASP A 49 -5.245 11.194 -3.120 1.00 0.00 O ATOM 0 H ASP A 49 -5.181 10.913 0.200 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.363 12.442 -0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.533 9.832 -1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.932 10.723 -2.036 1.00 0.00 H new ATOM 731 N LEU A 50 -8.244 9.675 1.281 1.00 0.00 N ATOM 732 CA LEU A 50 -9.349 8.969 1.919 1.00 0.00 C ATOM 733 C LEU A 50 -9.463 9.353 3.391 1.00 0.00 C ATOM 734 O LEU A 50 -10.557 9.369 3.955 1.00 0.00 O ATOM 735 CB LEU A 50 -9.158 7.457 1.789 1.00 0.00 C ATOM 736 CG LEU A 50 -9.376 6.871 0.393 1.00 0.00 C ATOM 737 CD1 LEU A 50 -9.071 5.381 0.386 1.00 0.00 C ATOM 738 CD2 LEU A 50 -10.800 7.128 -0.077 1.00 0.00 C ATOM 0 H LEU A 50 -7.322 9.297 1.497 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.271 9.257 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.147 7.210 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.842 6.964 2.479 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.692 7.364 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.232 4.981 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.033 5.221 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.729 4.872 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.937 6.704 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.501 6.662 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.983 8.202 -0.112 1.00 0.00 H new ATOM 750 N ILE A 51 -8.327 9.664 4.006 1.00 0.00 N ATOM 751 CA ILE A 51 -8.300 10.051 5.410 1.00 0.00 C ATOM 752 C ILE A 51 -9.425 11.028 5.733 1.00 0.00 C ATOM 753 O ILE A 51 -9.403 12.181 5.304 1.00 0.00 O ATOM 754 CB ILE A 51 -6.953 10.694 5.791 1.00 0.00 C ATOM 755 CG1 ILE A 51 -5.852 9.632 5.840 1.00 0.00 C ATOM 756 CG2 ILE A 51 -7.066 11.408 7.130 1.00 0.00 C ATOM 757 CD1 ILE A 51 -4.484 10.194 6.160 1.00 0.00 C ATOM 0 H ILE A 51 -7.413 9.655 3.553 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.436 9.139 5.991 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.690 11.429 5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.113 8.884 6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.810 9.120 4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.106 11.857 7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.825 12.187 7.064 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.348 10.692 7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.754 9.385 6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.202 10.921 5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.510 10.682 7.135 1.00 0.00 H new ATOM 769 N GLY A 52 -10.409 10.558 6.494 1.00 0.00 N ATOM 770 CA GLY A 52 -11.530 11.404 6.863 1.00 0.00 C ATOM 771 C GLY A 52 -12.866 10.787 6.499 1.00 0.00 C ATOM 772 O GLY A 52 -13.849 10.949 7.222 1.00 0.00 O ATOM 0 H GLY A 52 -10.450 9.607 6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.501 11.593 7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.432 12.369 6.366 1.00 0.00 H new ATOM 776 N ARG A 53 -12.903 10.081 5.374 1.00 0.00 N ATOM 777 CA ARG A 53 -14.129 9.441 4.913 1.00 0.00 C ATOM 778 C ARG A 53 -14.408 8.167 5.706 1.00 0.00 C ATOM 779 O ARG A 53 -13.492 7.411 6.028 1.00 0.00 O ATOM 780 CB ARG A 53 -14.030 9.115 3.422 1.00 0.00 C ATOM 781 CG ARG A 53 -14.001 10.345 2.530 1.00 0.00 C ATOM 782 CD ARG A 53 -12.577 10.802 2.256 1.00 0.00 C ATOM 783 NE ARG A 53 -12.538 12.053 1.505 1.00 0.00 N ATOM 784 CZ ARG A 53 -12.602 13.253 2.072 1.00 0.00 C ATOM 785 NH1 ARG A 53 -12.706 13.363 3.389 1.00 0.00 N ATOM 786 NH2 ARG A 53 -12.560 14.346 1.321 1.00 0.00 N ATOM 0 H ARG A 53 -12.098 9.938 4.765 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.954 10.136 5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.129 8.528 3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.877 8.491 3.138 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.501 10.124 1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -14.558 11.153 3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.049 10.930 3.201 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.049 10.028 1.699 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.457 12.003 0.489 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.737 12.525 3.970 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.755 14.285 3.821 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.479 14.266 0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.609 15.267 1.757 1.00 0.00 H new ATOM 800 N ALA A 54 -15.679 7.937 6.017 1.00 0.00 N ATOM 801 CA ALA A 54 -16.079 6.755 6.771 1.00 0.00 C ATOM 802 C ALA A 54 -16.382 5.587 5.839 1.00 0.00 C ATOM 803 O ALA A 54 -16.116 4.431 6.171 1.00 0.00 O ATOM 804 CB ALA A 54 -17.289 7.067 7.639 1.00 0.00 C ATOM 0 H ALA A 54 -16.450 8.553 5.759 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.248 6.467 7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.577 6.175 8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.040 7.866 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.119 7.383 7.007 1.00 0.00 H new ATOM 810 N ASP A 55 -16.939 5.895 4.673 1.00 0.00 N ATOM 811 CA ASP A 55 -17.278 4.869 3.693 1.00 0.00 C ATOM 812 C ASP A 55 -16.099 3.929 3.461 1.00 0.00 C ATOM 813 O ASP A 55 -16.258 2.709 3.448 1.00 0.00 O ATOM 814 CB ASP A 55 -17.698 5.515 2.372 1.00 0.00 C ATOM 815 CG ASP A 55 -18.692 6.643 2.570 1.00 0.00 C ATOM 816 OD1 ASP A 55 -19.890 6.350 2.768 1.00 0.00 O ATOM 817 OD2 ASP A 55 -18.273 7.819 2.526 1.00 0.00 O ATOM 0 H ASP A 55 -17.165 6.846 4.383 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.112 4.287 4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.815 5.898 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.137 4.757 1.724 1.00 0.00 H new ATOM 822 N VAL A 56 -14.916 4.506 3.277 1.00 0.00 N ATOM 823 CA VAL A 56 -13.709 3.720 3.045 1.00 0.00 C ATOM 824 C VAL A 56 -13.523 2.667 4.131 1.00 0.00 C ATOM 825 O VAL A 56 -13.258 1.500 3.840 1.00 0.00 O ATOM 826 CB VAL A 56 -12.457 4.616 2.993 1.00 0.00 C ATOM 827 CG1 VAL A 56 -12.394 5.516 4.218 1.00 0.00 C ATOM 828 CG2 VAL A 56 -11.200 3.767 2.880 1.00 0.00 C ATOM 0 H VAL A 56 -14.767 5.515 3.284 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.833 3.226 2.081 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.521 5.250 2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.503 6.142 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.281 6.149 4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.353 4.903 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.325 4.416 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.128 3.107 3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.246 3.169 1.970 1.00 0.00 H new ATOM 838 N ASP A 57 -13.663 3.086 5.384 1.00 0.00 N ATOM 839 CA ASP A 57 -13.512 2.178 6.515 1.00 0.00 C ATOM 840 C ASP A 57 -14.601 1.109 6.504 1.00 0.00 C ATOM 841 O ASP A 57 -14.313 -0.086 6.439 1.00 0.00 O ATOM 842 CB ASP A 57 -13.557 2.956 7.831 1.00 0.00 C ATOM 843 CG ASP A 57 -12.201 3.509 8.223 1.00 0.00 C ATOM 844 OD1 ASP A 57 -11.466 3.970 7.325 1.00 0.00 O ATOM 845 OD2 ASP A 57 -11.875 3.481 9.428 1.00 0.00 O ATOM 0 H ASP A 57 -13.881 4.048 5.642 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.544 1.685 6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.269 3.777 7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.923 2.303 8.623 1.00 0.00 H new ATOM 850 N LYS A 58 -15.854 1.548 6.569 1.00 0.00 N ATOM 851 CA LYS A 58 -16.987 0.631 6.567 1.00 0.00 C ATOM 852 C LYS A 58 -16.762 -0.510 5.579 1.00 0.00 C ATOM 853 O LYS A 58 -16.809 -1.683 5.950 1.00 0.00 O ATOM 854 CB LYS A 58 -18.274 1.379 6.213 1.00 0.00 C ATOM 855 CG LYS A 58 -19.506 0.491 6.186 1.00 0.00 C ATOM 856 CD LYS A 58 -20.770 1.298 5.939 1.00 0.00 C ATOM 857 CE LYS A 58 -21.992 0.399 5.827 1.00 0.00 C ATOM 858 NZ LYS A 58 -23.260 1.172 5.939 1.00 0.00 N ATOM 0 H LYS A 58 -16.110 2.534 6.624 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.082 0.209 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.429 2.180 6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.154 1.849 5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.396 -0.262 5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.593 -0.042 7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.914 2.009 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.659 1.879 5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -21.970 -0.127 4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.958 -0.359 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -24.070 0.524 5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -23.293 1.654 6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -23.304 1.879 5.177 1.00 0.00 H new ATOM 872 N ILE A 59 -16.517 -0.157 4.322 1.00 0.00 N ATOM 873 CA ILE A 59 -16.282 -1.152 3.282 1.00 0.00 C ATOM 874 C ILE A 59 -15.285 -2.208 3.747 1.00 0.00 C ATOM 875 O ILE A 59 -15.582 -3.403 3.737 1.00 0.00 O ATOM 876 CB ILE A 59 -15.757 -0.501 1.989 1.00 0.00 C ATOM 877 CG1 ILE A 59 -16.809 0.443 1.403 1.00 0.00 C ATOM 878 CG2 ILE A 59 -15.374 -1.570 0.976 1.00 0.00 C ATOM 879 CD1 ILE A 59 -16.313 1.239 0.217 1.00 0.00 C ATOM 0 H ILE A 59 -16.476 0.810 3.999 1.00 0.00 H new ATOM 0 HA ILE A 59 -17.241 -1.627 3.077 1.00 0.00 H new ATOM 0 HB ILE A 59 -14.867 0.081 2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.680 -0.139 1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.140 1.132 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.005 -1.095 0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.594 -2.206 1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.248 -2.176 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -17.111 1.886 -0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.461 1.848 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -16.009 0.557 -0.577 1.00 0.00 H new ATOM 891 N ILE A 60 -14.103 -1.759 4.156 1.00 0.00 N ATOM 892 CA ILE A 60 -13.064 -2.666 4.627 1.00 0.00 C ATOM 893 C ILE A 60 -13.550 -3.488 5.816 1.00 0.00 C ATOM 894 O ILE A 60 -13.213 -4.665 5.947 1.00 0.00 O ATOM 895 CB ILE A 60 -11.791 -1.900 5.034 1.00 0.00 C ATOM 896 CG1 ILE A 60 -11.168 -1.218 3.814 1.00 0.00 C ATOM 897 CG2 ILE A 60 -10.791 -2.843 5.688 1.00 0.00 C ATOM 898 CD1 ILE A 60 -10.321 -0.014 4.162 1.00 0.00 C ATOM 0 H ILE A 60 -13.841 -0.773 4.171 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.828 -3.334 3.798 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.063 -1.132 5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.554 -1.941 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.963 -0.909 3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.897 -2.287 5.970 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.238 -3.287 6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.521 -3.632 4.985 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.912 0.419 3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.936 0.728 4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.505 -0.320 4.816 1.00 0.00 H new ATOM 910 N GLN A 61 -14.344 -2.861 6.677 1.00 0.00 N ATOM 911 CA GLN A 61 -14.878 -3.536 7.854 1.00 0.00 C ATOM 912 C GLN A 61 -15.821 -4.665 7.454 1.00 0.00 C ATOM 913 O GLN A 61 -15.736 -5.774 7.980 1.00 0.00 O ATOM 914 CB GLN A 61 -15.610 -2.538 8.753 1.00 0.00 C ATOM 915 CG GLN A 61 -14.707 -1.455 9.321 1.00 0.00 C ATOM 916 CD GLN A 61 -15.206 -0.917 10.648 1.00 0.00 C ATOM 917 OE1 GLN A 61 -15.511 -1.680 11.565 1.00 0.00 O ATOM 918 NE2 GLN A 61 -15.290 0.403 10.758 1.00 0.00 N ATOM 0 H GLN A 61 -14.632 -1.887 6.582 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.041 -3.965 8.406 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.412 -2.069 8.183 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.078 -3.078 9.576 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -13.702 -1.856 9.451 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.634 -0.636 8.605 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.027 0.998 9.972 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.618 0.822 11.628 1.00 0.00 H new ATOM 927 N GLU A 62 -16.720 -4.375 6.518 1.00 0.00 N ATOM 928 CA GLU A 62 -17.681 -5.366 6.049 1.00 0.00 C ATOM 929 C GLU A 62 -17.472 -5.666 4.567 1.00 0.00 C ATOM 930 O GLU A 62 -18.096 -5.064 3.692 1.00 0.00 O ATOM 931 CB GLU A 62 -19.111 -4.876 6.285 1.00 0.00 C ATOM 932 CG GLU A 62 -19.606 -5.103 7.703 1.00 0.00 C ATOM 933 CD GLU A 62 -20.903 -4.373 7.992 1.00 0.00 C ATOM 934 OE1 GLU A 62 -21.038 -3.209 7.561 1.00 0.00 O ATOM 935 OE2 GLU A 62 -21.783 -4.967 8.650 1.00 0.00 O ATOM 0 H GLU A 62 -16.802 -3.462 6.070 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.523 -6.284 6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.164 -3.811 6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.780 -5.384 5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.750 -6.171 7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.843 -4.773 8.408 1.00 0.00 H new ATOM 942 N PRO A 63 -16.574 -6.619 4.277 1.00 0.00 N ATOM 943 CA PRO A 63 -16.261 -7.021 2.902 1.00 0.00 C ATOM 944 C PRO A 63 -17.414 -7.769 2.241 1.00 0.00 C ATOM 945 O PRO A 63 -18.124 -8.550 2.876 1.00 0.00 O ATOM 946 CB PRO A 63 -15.050 -7.942 3.069 1.00 0.00 C ATOM 947 CG PRO A 63 -15.168 -8.475 4.455 1.00 0.00 C ATOM 948 CD PRO A 63 -15.793 -7.377 5.269 1.00 0.00 C ATOM 0 HA PRO A 63 -16.074 -6.162 2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.060 -8.746 2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.116 -7.397 2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.783 -9.375 4.476 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.190 -8.748 4.853 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.428 -7.775 6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.039 -6.753 5.748 1.00 0.00 H new ATOM 956 N PRO A 64 -17.606 -7.529 0.936 1.00 0.00 N ATOM 957 CA PRO A 64 -18.671 -8.172 0.161 1.00 0.00 C ATOM 958 C PRO A 64 -18.416 -9.660 -0.051 1.00 0.00 C ATOM 959 O PRO A 64 -19.278 -10.494 0.228 1.00 0.00 O ATOM 960 CB PRO A 64 -18.634 -7.427 -1.177 1.00 0.00 C ATOM 961 CG PRO A 64 -17.240 -6.916 -1.288 1.00 0.00 C ATOM 962 CD PRO A 64 -16.797 -6.610 0.116 1.00 0.00 C ATOM 0 HA PRO A 64 -19.634 -8.118 0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.880 -8.090 -2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.357 -6.612 -1.196 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.588 -7.658 -1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.200 -6.024 -1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.730 -6.787 0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.982 -5.568 0.378 1.00 0.00 H new ATOM 970 N HIS A 65 -17.226 -9.988 -0.546 1.00 0.00 N ATOM 971 CA HIS A 65 -16.857 -11.377 -0.794 1.00 0.00 C ATOM 972 C HIS A 65 -17.102 -12.233 0.445 1.00 0.00 C ATOM 973 O HIS A 65 -17.609 -13.351 0.350 1.00 0.00 O ATOM 974 CB HIS A 65 -15.389 -11.470 -1.211 1.00 0.00 C ATOM 975 CG HIS A 65 -14.432 -11.355 -0.064 1.00 0.00 C ATOM 976 ND1 HIS A 65 -14.098 -10.151 0.518 1.00 0.00 N ATOM 977 CD2 HIS A 65 -13.739 -12.302 0.609 1.00 0.00 C ATOM 978 CE1 HIS A 65 -13.238 -10.362 1.499 1.00 0.00 C ATOM 979 NE2 HIS A 65 -13.004 -11.660 1.575 1.00 0.00 N ATOM 0 H HIS A 65 -16.501 -9.311 -0.783 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.481 -11.754 -1.604 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.223 -12.421 -1.718 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -15.174 -10.682 -1.933 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.760 -13.365 0.421 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.801 -9.603 2.131 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.379 -12.112 2.243 1.00 0.00 H new