USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 453 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 120 SER OG : rot -78:sc= 0.732 USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 0.0443 USER MOD Set 2.1: A 114 HIS : no HE2:sc= -3.86! C(o=-5.4!,f=-6.4!) USER MOD Set 2.2: A 118 GLN : amide:sc= -1.53 K(o=-5.4,f=-10!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 92 THR OG1 : rot 81:sc= 1.19 USER MOD Single : A 94 SER OG : rot -107:sc= 0.252 USER MOD Single : A 97 MET CE :methyl -159:sc= -0.137 (180deg=-0.708) USER MOD Single : A 102 MET CE :methyl 176:sc= -1.27 (180deg=-1.33) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -119:sc= -0.025 (180deg=-0.274) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.0714 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 CYS SG : rot 180:sc= -0.156 USER MOD Single : A 136 THR OG1 : rot -73:sc= 1.68 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 11.608 0.520 12.392 1.00 0.00 N ATOM 109 CA TRP A 87 11.334 0.299 10.976 1.00 0.00 C ATOM 110 C TRP A 87 12.109 1.286 10.111 1.00 0.00 C ATOM 111 O TRP A 87 12.268 2.452 10.472 1.00 0.00 O ATOM 112 CB TRP A 87 9.835 0.427 10.700 1.00 0.00 C ATOM 113 CG TRP A 87 9.040 -0.751 11.176 1.00 0.00 C ATOM 114 CD1 TRP A 87 8.846 -1.139 12.471 1.00 0.00 C ATOM 115 CD2 TRP A 87 8.335 -1.694 10.362 1.00 0.00 C ATOM 116 NE1 TRP A 87 8.062 -2.267 12.511 1.00 0.00 N ATOM 117 CE2 TRP A 87 7.735 -2.627 11.231 1.00 0.00 C ATOM 118 CE3 TRP A 87 8.151 -1.841 8.985 1.00 0.00 C ATOM 119 CZ2 TRP A 87 6.967 -3.690 10.765 1.00 0.00 C ATOM 120 CZ3 TRP A 87 7.388 -2.897 8.524 1.00 0.00 C ATOM 121 CH2 TRP A 87 6.803 -3.810 9.411 1.00 0.00 C ATOM 0 HA TRP A 87 11.658 -0.710 10.722 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.460 1.329 11.184 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.680 0.552 9.628 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.249 -0.634 13.336 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.771 -2.757 13.357 1.00 0.00 H new ATOM 0 HE3 TRP A 87 8.597 -1.142 8.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.516 -4.395 11.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 7.240 -3.021 7.461 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.211 -4.624 9.019 1.00 0.00 H new ATOM 132 N VAL A 88 12.591 0.812 8.966 1.00 0.00 N ATOM 133 CA VAL A 88 13.349 1.654 8.048 1.00 0.00 C ATOM 134 C VAL A 88 12.465 2.169 6.918 1.00 0.00 C ATOM 135 O VAL A 88 11.389 1.629 6.663 1.00 0.00 O ATOM 136 CB VAL A 88 14.543 0.892 7.444 1.00 0.00 C ATOM 137 CG1 VAL A 88 15.655 0.742 8.471 1.00 0.00 C ATOM 138 CG2 VAL A 88 14.100 -0.467 6.924 1.00 0.00 C ATOM 0 H VAL A 88 12.470 -0.151 8.652 1.00 0.00 H new ATOM 0 HA VAL A 88 13.722 2.498 8.628 1.00 0.00 H new ATOM 0 HB VAL A 88 14.932 1.468 6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.490 0.201 8.026 1.00 0.00 H new ATOM 0 HG12 VAL A 88 15.990 1.729 8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.282 0.189 9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.957 -0.991 6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.685 -1.053 7.744 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.341 -0.332 6.154 1.00 0.00 H new ATOM 148 N GLN A 89 12.927 3.217 6.243 1.00 0.00 N ATOM 149 CA GLN A 89 12.177 3.805 5.140 1.00 0.00 C ATOM 150 C GLN A 89 11.780 2.741 4.123 1.00 0.00 C ATOM 151 O GLN A 89 10.649 2.725 3.636 1.00 0.00 O ATOM 152 CB GLN A 89 13.006 4.896 4.457 1.00 0.00 C ATOM 153 CG GLN A 89 12.363 5.446 3.194 1.00 0.00 C ATOM 154 CD GLN A 89 13.245 6.454 2.483 1.00 0.00 C ATOM 155 OE1 GLN A 89 14.465 6.455 2.649 1.00 0.00 O ATOM 156 NE2 GLN A 89 12.631 7.318 1.683 1.00 0.00 N ATOM 0 H GLN A 89 13.816 3.676 6.441 1.00 0.00 H new ATOM 0 HA GLN A 89 11.269 4.249 5.547 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.165 5.714 5.160 1.00 0.00 H new ATOM 0 HB3 GLN A 89 13.988 4.493 4.209 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.139 4.622 2.516 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.413 5.916 3.449 1.00 0.00 H new ATOM 0 HE21 GLN A 89 11.617 7.281 1.575 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.173 8.018 1.177 1.00 0.00 H new ATOM 165 N ASP A 90 12.716 1.853 3.806 1.00 0.00 N ATOM 166 CA ASP A 90 12.464 0.784 2.848 1.00 0.00 C ATOM 167 C ASP A 90 11.243 -0.035 3.257 1.00 0.00 C ATOM 168 O ASP A 90 10.255 -0.101 2.526 1.00 0.00 O ATOM 169 CB ASP A 90 13.688 -0.126 2.731 1.00 0.00 C ATOM 170 CG ASP A 90 14.939 0.636 2.341 1.00 0.00 C ATOM 171 OD1 ASP A 90 15.121 0.901 1.135 1.00 0.00 O ATOM 172 OD2 ASP A 90 15.738 0.966 3.243 1.00 0.00 O ATOM 0 H ASP A 90 13.657 1.853 4.199 1.00 0.00 H new ATOM 0 HA ASP A 90 12.266 1.239 1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.855 -0.630 3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.492 -0.901 1.990 1.00 0.00 H new ATOM 177 N GLU A 91 11.321 -0.659 4.428 1.00 0.00 N ATOM 178 CA GLU A 91 10.222 -1.475 4.932 1.00 0.00 C ATOM 179 C GLU A 91 8.936 -0.660 5.024 1.00 0.00 C ATOM 180 O GLU A 91 7.904 -1.042 4.471 1.00 0.00 O ATOM 181 CB GLU A 91 10.574 -2.049 6.307 1.00 0.00 C ATOM 182 CG GLU A 91 11.610 -3.160 6.255 1.00 0.00 C ATOM 183 CD GLU A 91 12.226 -3.446 7.611 1.00 0.00 C ATOM 184 OE1 GLU A 91 11.518 -3.290 8.629 1.00 0.00 O ATOM 185 OE2 GLU A 91 13.415 -3.824 7.655 1.00 0.00 O ATOM 0 H GLU A 91 12.132 -0.615 5.045 1.00 0.00 H new ATOM 0 HA GLU A 91 10.062 -2.295 4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.947 -1.246 6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.667 -2.431 6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.145 -4.068 5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.397 -2.885 5.553 1.00 0.00 H new ATOM 192 N THR A 92 9.004 0.467 5.726 1.00 0.00 N ATOM 193 CA THR A 92 7.846 1.336 5.892 1.00 0.00 C ATOM 194 C THR A 92 7.163 1.603 4.555 1.00 0.00 C ATOM 195 O THR A 92 5.976 1.325 4.388 1.00 0.00 O ATOM 196 CB THR A 92 8.240 2.680 6.532 1.00 0.00 C ATOM 197 OG1 THR A 92 8.999 2.452 7.724 1.00 0.00 O ATOM 198 CG2 THR A 92 7.005 3.505 6.862 1.00 0.00 C ATOM 0 H THR A 92 9.850 0.799 6.189 1.00 0.00 H new ATOM 0 HA THR A 92 7.153 0.816 6.554 1.00 0.00 H new ATOM 0 HB THR A 92 8.847 3.233 5.816 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.932 2.268 7.488 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.308 4.450 7.313 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.445 3.703 5.948 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.376 2.954 7.562 1.00 0.00 H new ATOM 206 N ARG A 93 7.921 2.142 3.606 1.00 0.00 N ATOM 207 CA ARG A 93 7.388 2.447 2.284 1.00 0.00 C ATOM 208 C ARG A 93 6.689 1.230 1.686 1.00 0.00 C ATOM 209 O ARG A 93 5.559 1.323 1.208 1.00 0.00 O ATOM 210 CB ARG A 93 8.509 2.913 1.354 1.00 0.00 C ATOM 211 CG ARG A 93 8.036 3.841 0.247 1.00 0.00 C ATOM 212 CD ARG A 93 9.173 4.702 -0.283 1.00 0.00 C ATOM 213 NE ARG A 93 8.683 5.899 -0.960 1.00 0.00 N ATOM 214 CZ ARG A 93 9.474 6.769 -1.578 1.00 0.00 C ATOM 215 NH1 ARG A 93 10.785 6.576 -1.605 1.00 0.00 N ATOM 216 NH2 ARG A 93 8.953 7.836 -2.172 1.00 0.00 N ATOM 0 H ARG A 93 8.906 2.376 3.728 1.00 0.00 H new ATOM 0 HA ARG A 93 6.657 3.249 2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.270 3.423 1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.985 2.040 0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.614 3.252 -0.567 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.238 4.481 0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.823 4.993 0.542 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.779 4.117 -0.975 1.00 0.00 H new ATOM 0 HE ARG A 93 7.679 6.077 -0.958 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.189 5.757 -1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.389 7.246 -2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.945 7.988 -2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.561 8.504 -2.646 1.00 0.00 H new ATOM 230 N SER A 94 7.371 0.089 1.715 1.00 0.00 N ATOM 231 CA SER A 94 6.818 -1.146 1.172 1.00 0.00 C ATOM 232 C SER A 94 5.476 -1.472 1.821 1.00 0.00 C ATOM 233 O SER A 94 4.490 -1.743 1.134 1.00 0.00 O ATOM 234 CB SER A 94 7.795 -2.304 1.383 1.00 0.00 C ATOM 235 OG SER A 94 7.574 -3.337 0.438 1.00 0.00 O ATOM 0 H SER A 94 8.307 -0.005 2.109 1.00 0.00 H new ATOM 0 HA SER A 94 6.660 -1.005 0.103 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.819 -1.940 1.296 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.682 -2.700 2.392 1.00 0.00 H new ATOM 0 HG SER A 94 7.146 -4.100 0.881 1.00 0.00 H new ATOM 241 N LEU A 95 5.447 -1.445 3.149 1.00 0.00 N ATOM 242 CA LEU A 95 4.227 -1.737 3.893 1.00 0.00 C ATOM 243 C LEU A 95 3.111 -0.770 3.512 1.00 0.00 C ATOM 244 O LEU A 95 2.060 -1.183 3.020 1.00 0.00 O ATOM 245 CB LEU A 95 4.493 -1.659 5.398 1.00 0.00 C ATOM 246 CG LEU A 95 3.260 -1.524 6.291 1.00 0.00 C ATOM 247 CD1 LEU A 95 2.345 -2.727 6.123 1.00 0.00 C ATOM 248 CD2 LEU A 95 3.671 -1.365 7.748 1.00 0.00 C ATOM 0 H LEU A 95 6.254 -1.224 3.732 1.00 0.00 H new ATOM 0 HA LEU A 95 3.909 -2.748 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.037 -2.555 5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.149 -0.809 5.587 1.00 0.00 H new ATOM 0 HG LEU A 95 2.713 -0.631 5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.473 -2.613 6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.023 -2.797 5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.883 -3.634 6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.780 -1.270 8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.241 -2.239 8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.286 -0.472 7.857 1.00 0.00 H new ATOM 260 N ILE A 96 3.347 0.517 3.740 1.00 0.00 N ATOM 261 CA ILE A 96 2.363 1.543 3.417 1.00 0.00 C ATOM 262 C ILE A 96 1.718 1.278 2.061 1.00 0.00 C ATOM 263 O ILE A 96 0.498 1.149 1.957 1.00 0.00 O ATOM 264 CB ILE A 96 2.996 2.947 3.406 1.00 0.00 C ATOM 265 CG1 ILE A 96 3.479 3.323 4.808 1.00 0.00 C ATOM 266 CG2 ILE A 96 1.999 3.973 2.890 1.00 0.00 C ATOM 267 CD1 ILE A 96 4.507 4.433 4.815 1.00 0.00 C ATOM 0 H ILE A 96 4.211 0.875 4.147 1.00 0.00 H new ATOM 0 HA ILE A 96 1.600 1.504 4.194 1.00 0.00 H new ATOM 0 HB ILE A 96 3.856 2.937 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.622 3.628 5.409 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.905 2.441 5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.461 4.960 2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.699 3.711 1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.121 3.984 3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.804 4.647 5.842 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.381 4.123 4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.078 5.329 4.367 1.00 0.00 H new ATOM 279 N MET A 97 2.545 1.196 1.024 1.00 0.00 N ATOM 280 CA MET A 97 2.055 0.942 -0.326 1.00 0.00 C ATOM 281 C MET A 97 1.089 -0.238 -0.341 1.00 0.00 C ATOM 282 O MET A 97 -0.078 -0.093 -0.705 1.00 0.00 O ATOM 283 CB MET A 97 3.225 0.671 -1.274 1.00 0.00 C ATOM 284 CG MET A 97 2.828 0.659 -2.741 1.00 0.00 C ATOM 285 SD MET A 97 4.218 0.305 -3.834 1.00 0.00 S ATOM 286 CE MET A 97 5.295 1.689 -3.471 1.00 0.00 C ATOM 0 H MET A 97 3.557 1.302 1.092 1.00 0.00 H new ATOM 0 HA MET A 97 1.521 1.830 -0.665 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.991 1.431 -1.119 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.673 -0.289 -1.019 1.00 0.00 H new ATOM 0 HG2 MET A 97 2.049 -0.088 -2.897 1.00 0.00 H new ATOM 0 HG3 MET A 97 2.400 1.626 -3.005 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.995 1.831 -4.294 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.697 2.591 -3.343 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.849 1.488 -2.554 1.00 0.00 H new ATOM 296 N PHE A 98 1.583 -1.406 0.055 1.00 0.00 N ATOM 297 CA PHE A 98 0.764 -2.612 0.086 1.00 0.00 C ATOM 298 C PHE A 98 -0.559 -2.353 0.801 1.00 0.00 C ATOM 299 O PHE A 98 -1.605 -2.858 0.395 1.00 0.00 O ATOM 300 CB PHE A 98 1.518 -3.749 0.779 1.00 0.00 C ATOM 301 CG PHE A 98 2.469 -4.478 -0.126 1.00 0.00 C ATOM 302 CD1 PHE A 98 2.069 -4.886 -1.389 1.00 0.00 C ATOM 303 CD2 PHE A 98 3.762 -4.756 0.285 1.00 0.00 C ATOM 304 CE1 PHE A 98 2.941 -5.557 -2.224 1.00 0.00 C ATOM 305 CE2 PHE A 98 4.640 -5.427 -0.546 1.00 0.00 C ATOM 306 CZ PHE A 98 4.229 -5.828 -1.802 1.00 0.00 C ATOM 0 H PHE A 98 2.547 -1.543 0.359 1.00 0.00 H new ATOM 0 HA PHE A 98 0.550 -2.902 -0.943 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.073 -3.343 1.625 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.797 -4.459 1.182 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.064 -4.677 -1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.088 -4.445 1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.617 -5.870 -3.206 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.646 -5.637 -0.213 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.913 -6.352 -2.453 1.00 0.00 H new ATOM 316 N ARG A 99 -0.502 -1.563 1.868 1.00 0.00 N ATOM 317 CA ARG A 99 -1.695 -1.238 2.642 1.00 0.00 C ATOM 318 C ARG A 99 -2.565 -0.228 1.900 1.00 0.00 C ATOM 319 O ARG A 99 -3.783 -0.195 2.076 1.00 0.00 O ATOM 320 CB ARG A 99 -1.303 -0.681 4.012 1.00 0.00 C ATOM 321 CG ARG A 99 -2.476 -0.117 4.797 1.00 0.00 C ATOM 322 CD ARG A 99 -3.243 -1.214 5.519 1.00 0.00 C ATOM 323 NE ARG A 99 -4.602 -0.800 5.857 1.00 0.00 N ATOM 324 CZ ARG A 99 -5.404 -1.494 6.657 1.00 0.00 C ATOM 325 NH1 ARG A 99 -4.985 -2.628 7.200 1.00 0.00 N ATOM 326 NH2 ARG A 99 -6.628 -1.052 6.916 1.00 0.00 N ATOM 0 H ARG A 99 0.356 -1.136 2.216 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.269 -2.154 2.781 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.833 -1.472 4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.557 0.102 3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -2.113 0.612 5.522 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.147 0.413 4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.281 -2.104 4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.711 -1.489 6.430 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.955 0.069 5.457 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.044 -2.970 7.004 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.603 -3.159 7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.953 -0.179 6.501 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.243 -1.585 7.530 1.00 0.00 H new ATOM 340 N ARG A 100 -1.931 0.595 1.071 1.00 0.00 N ATOM 341 CA ARG A 100 -2.647 1.608 0.304 1.00 0.00 C ATOM 342 C ARG A 100 -3.460 0.966 -0.817 1.00 0.00 C ATOM 343 O ARG A 100 -4.597 1.358 -1.075 1.00 0.00 O ATOM 344 CB ARG A 100 -1.665 2.624 -0.281 1.00 0.00 C ATOM 345 CG ARG A 100 -1.243 3.700 0.705 1.00 0.00 C ATOM 346 CD ARG A 100 -0.212 4.640 0.098 1.00 0.00 C ATOM 347 NE ARG A 100 -0.093 5.884 0.853 1.00 0.00 N ATOM 348 CZ ARG A 100 0.868 6.778 0.650 1.00 0.00 C ATOM 349 NH1 ARG A 100 1.789 6.566 -0.279 1.00 0.00 N ATOM 350 NH2 ARG A 100 0.909 7.886 1.379 1.00 0.00 N ATOM 0 H ARG A 100 -0.923 0.580 0.913 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.332 2.122 0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -0.778 2.098 -0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.121 3.098 -1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.117 4.271 1.018 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.830 3.234 1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.757 4.142 0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.490 4.866 -0.932 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.786 6.077 1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.761 5.715 -0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.526 7.254 -0.433 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.202 8.051 2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.647 8.572 1.223 1.00 0.00 H new ATOM 364 N GLY A 101 -2.868 -0.022 -1.480 1.00 0.00 N ATOM 365 CA GLY A 101 -3.551 -0.701 -2.566 1.00 0.00 C ATOM 366 C GLY A 101 -4.595 -1.682 -2.070 1.00 0.00 C ATOM 367 O GLY A 101 -5.675 -1.794 -2.649 1.00 0.00 O ATOM 0 H GLY A 101 -1.927 -0.365 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.028 0.038 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.820 -1.231 -3.176 1.00 0.00 H new ATOM 371 N MET A 102 -4.272 -2.395 -0.997 1.00 0.00 N ATOM 372 CA MET A 102 -5.191 -3.372 -0.424 1.00 0.00 C ATOM 373 C MET A 102 -6.268 -2.683 0.408 1.00 0.00 C ATOM 374 O MET A 102 -7.307 -3.273 0.705 1.00 0.00 O ATOM 375 CB MET A 102 -4.427 -4.377 0.441 1.00 0.00 C ATOM 376 CG MET A 102 -3.662 -5.414 -0.365 1.00 0.00 C ATOM 377 SD MET A 102 -2.922 -6.691 0.671 1.00 0.00 S ATOM 378 CE MET A 102 -4.377 -7.365 1.469 1.00 0.00 C ATOM 0 H MET A 102 -3.381 -2.315 -0.506 1.00 0.00 H new ATOM 0 HA MET A 102 -5.675 -3.903 -1.244 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.728 -3.837 1.079 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.131 -4.887 1.099 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.336 -5.880 -1.083 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.879 -4.918 -0.938 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.091 -8.214 2.090 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.838 -6.599 2.092 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.089 -7.693 0.711 1.00 0.00 H new ATOM 388 N ASP A 103 -6.013 -1.434 0.780 1.00 0.00 N ATOM 389 CA ASP A 103 -6.961 -0.665 1.577 1.00 0.00 C ATOM 390 C ASP A 103 -8.396 -0.964 1.152 1.00 0.00 C ATOM 391 O ASP A 103 -9.249 -1.269 1.984 1.00 0.00 O ATOM 392 CB ASP A 103 -6.678 0.832 1.441 1.00 0.00 C ATOM 393 CG ASP A 103 -7.702 1.683 2.165 1.00 0.00 C ATOM 394 OD1 ASP A 103 -8.788 1.918 1.595 1.00 0.00 O ATOM 395 OD2 ASP A 103 -7.419 2.114 3.302 1.00 0.00 O ATOM 0 H ASP A 103 -5.157 -0.932 0.542 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.841 -0.956 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.685 1.048 1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.667 1.102 0.385 1.00 0.00 H new ATOM 400 N GLY A 104 -8.654 -0.873 -0.149 1.00 0.00 N ATOM 401 CA GLY A 104 -9.986 -1.135 -0.661 1.00 0.00 C ATOM 402 C GLY A 104 -10.592 -2.398 -0.082 1.00 0.00 C ATOM 403 O GLY A 104 -11.733 -2.393 0.381 1.00 0.00 O ATOM 0 H GLY A 104 -7.964 -0.622 -0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.633 -0.288 -0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.944 -1.221 -1.747 1.00 0.00 H new ATOM 407 N LEU A 105 -9.827 -3.484 -0.108 1.00 0.00 N ATOM 408 CA LEU A 105 -10.296 -4.762 0.417 1.00 0.00 C ATOM 409 C LEU A 105 -10.848 -4.601 1.830 1.00 0.00 C ATOM 410 O LEU A 105 -11.788 -5.291 2.223 1.00 0.00 O ATOM 411 CB LEU A 105 -9.158 -5.784 0.416 1.00 0.00 C ATOM 412 CG LEU A 105 -8.553 -6.114 -0.950 1.00 0.00 C ATOM 413 CD1 LEU A 105 -7.239 -6.861 -0.785 1.00 0.00 C ATOM 414 CD2 LEU A 105 -9.531 -6.929 -1.783 1.00 0.00 C ATOM 0 H LEU A 105 -8.880 -3.505 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 105 -11.099 -5.119 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.363 -5.413 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.526 -6.708 0.861 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.352 -5.179 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.823 -7.087 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.536 -6.242 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.414 -7.790 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.084 -7.155 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.763 -7.859 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.447 -6.358 -1.931 1.00 0.00 H new ATOM 426 N PHE A 106 -10.258 -3.683 2.588 1.00 0.00 N ATOM 427 CA PHE A 106 -10.691 -3.429 3.957 1.00 0.00 C ATOM 428 C PHE A 106 -12.028 -2.693 3.977 1.00 0.00 C ATOM 429 O PHE A 106 -12.841 -2.884 4.880 1.00 0.00 O ATOM 430 CB PHE A 106 -9.636 -2.612 4.706 1.00 0.00 C ATOM 431 CG PHE A 106 -8.357 -3.363 4.947 1.00 0.00 C ATOM 432 CD1 PHE A 106 -7.450 -3.561 3.919 1.00 0.00 C ATOM 433 CD2 PHE A 106 -8.063 -3.871 6.202 1.00 0.00 C ATOM 434 CE1 PHE A 106 -6.273 -4.251 4.137 1.00 0.00 C ATOM 435 CE2 PHE A 106 -6.887 -4.562 6.427 1.00 0.00 C ATOM 436 CZ PHE A 106 -5.991 -4.753 5.393 1.00 0.00 C ATOM 0 H PHE A 106 -9.479 -3.103 2.278 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.817 -4.390 4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.416 -1.709 4.137 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.047 -2.293 5.664 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.665 -3.171 2.935 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.760 -3.726 7.014 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.574 -4.398 3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.669 -4.952 7.410 1.00 0.00 H new ATOM 0 HZ PHE A 106 -5.072 -5.294 5.566 1.00 0.00 H new ATOM 532 N LYS A 113 -8.532 -9.307 9.235 1.00 0.00 N ATOM 533 CA LYS A 113 -7.553 -10.292 9.680 1.00 0.00 C ATOM 534 C LYS A 113 -6.907 -10.992 8.489 1.00 0.00 C ATOM 535 O LYS A 113 -5.684 -11.116 8.417 1.00 0.00 O ATOM 536 CB LYS A 113 -8.218 -11.325 10.593 1.00 0.00 C ATOM 537 CG LYS A 113 -8.596 -10.777 11.958 1.00 0.00 C ATOM 538 CD LYS A 113 -8.587 -11.865 13.018 1.00 0.00 C ATOM 539 CE LYS A 113 -9.908 -12.617 13.056 1.00 0.00 C ATOM 540 NZ LYS A 113 -9.783 -13.925 13.757 1.00 0.00 N ATOM 0 HA LYS A 113 -6.776 -9.770 10.238 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.114 -11.707 10.103 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -7.542 -12.170 10.725 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -7.899 -9.988 12.240 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -9.587 -10.325 11.908 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -7.775 -12.564 12.817 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -8.391 -11.422 13.994 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -10.659 -12.007 13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.261 -12.783 12.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -10.705 -14.406 13.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -9.085 -14.518 13.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.471 -13.766 14.736 1.00 0.00 H new ATOM 554 N HIS A 114 -7.736 -11.448 7.554 1.00 0.00 N ATOM 555 CA HIS A 114 -7.244 -12.133 6.364 1.00 0.00 C ATOM 556 C HIS A 114 -6.394 -11.197 5.510 1.00 0.00 C ATOM 557 O HIS A 114 -5.427 -11.623 4.878 1.00 0.00 O ATOM 558 CB HIS A 114 -8.413 -12.673 5.541 1.00 0.00 C ATOM 559 CG HIS A 114 -9.117 -11.622 4.739 1.00 0.00 C ATOM 560 ND1 HIS A 114 -10.178 -10.888 5.225 1.00 0.00 N ATOM 561 CD2 HIS A 114 -8.904 -11.181 3.477 1.00 0.00 C ATOM 562 CE1 HIS A 114 -10.589 -10.043 4.296 1.00 0.00 C ATOM 563 NE2 HIS A 114 -9.832 -10.200 3.226 1.00 0.00 N ATOM 0 H HIS A 114 -8.751 -11.355 7.598 1.00 0.00 H new ATOM 0 HA HIS A 114 -6.621 -12.967 6.687 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -8.045 -13.447 4.867 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -9.130 -13.148 6.211 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -10.583 -10.983 6.157 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.145 -11.535 2.794 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -11.405 -9.343 4.395 1.00 0.00 H new ATOM 571 N LEU A 115 -6.762 -9.920 5.496 1.00 0.00 N ATOM 572 CA LEU A 115 -6.033 -8.923 4.719 1.00 0.00 C ATOM 573 C LEU A 115 -4.654 -8.667 5.317 1.00 0.00 C ATOM 574 O LEU A 115 -3.671 -8.515 4.593 1.00 0.00 O ATOM 575 CB LEU A 115 -6.827 -7.617 4.658 1.00 0.00 C ATOM 576 CG LEU A 115 -8.171 -7.681 3.933 1.00 0.00 C ATOM 577 CD1 LEU A 115 -8.955 -6.395 4.146 1.00 0.00 C ATOM 578 CD2 LEU A 115 -7.965 -7.942 2.448 1.00 0.00 C ATOM 0 H LEU A 115 -7.560 -9.551 6.013 1.00 0.00 H new ATOM 0 HA LEU A 115 -5.902 -9.310 3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -7.003 -7.275 5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.210 -6.862 4.170 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.747 -8.507 4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.909 -6.459 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.135 -6.251 5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.384 -5.552 3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.933 -7.984 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.369 -7.138 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.446 -8.891 2.314 1.00 0.00 H new ATOM 590 N TRP A 116 -4.590 -8.622 6.643 1.00 0.00 N ATOM 591 CA TRP A 116 -3.330 -8.387 7.340 1.00 0.00 C ATOM 592 C TRP A 116 -2.319 -9.481 7.020 1.00 0.00 C ATOM 593 O TRP A 116 -1.183 -9.197 6.642 1.00 0.00 O ATOM 594 CB TRP A 116 -3.564 -8.316 8.849 1.00 0.00 C ATOM 595 CG TRP A 116 -4.095 -6.992 9.307 1.00 0.00 C ATOM 596 CD1 TRP A 116 -5.255 -6.766 9.993 1.00 0.00 C ATOM 597 CD2 TRP A 116 -3.488 -5.710 9.110 1.00 0.00 C ATOM 598 NE1 TRP A 116 -5.404 -5.422 10.234 1.00 0.00 N ATOM 599 CE2 TRP A 116 -4.334 -4.753 9.703 1.00 0.00 C ATOM 600 CE3 TRP A 116 -2.311 -5.279 8.492 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -4.038 -3.392 9.694 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -2.020 -3.928 8.484 1.00 0.00 C ATOM 603 CH2 TRP A 116 -2.880 -2.998 9.082 1.00 0.00 C ATOM 0 H TRP A 116 -5.395 -8.745 7.257 1.00 0.00 H new ATOM 0 HA TRP A 116 -2.926 -7.434 6.997 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -4.264 -9.100 9.138 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -2.626 -8.521 9.365 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -5.952 -7.531 10.300 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -6.185 -4.992 10.729 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.641 -5.989 8.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.700 -2.673 10.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -1.114 -3.583 8.008 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -2.624 -1.949 9.059 1.00 0.00 H new ATOM 614 N GLU A 117 -2.739 -10.733 7.174 1.00 0.00 N ATOM 615 CA GLU A 117 -1.867 -11.870 6.901 1.00 0.00 C ATOM 616 C GLU A 117 -1.351 -11.828 5.466 1.00 0.00 C ATOM 617 O GLU A 117 -0.172 -12.074 5.213 1.00 0.00 O ATOM 618 CB GLU A 117 -2.612 -13.183 7.148 1.00 0.00 C ATOM 619 CG GLU A 117 -3.894 -13.317 6.343 1.00 0.00 C ATOM 620 CD GLU A 117 -4.498 -14.705 6.434 1.00 0.00 C ATOM 621 OE1 GLU A 117 -3.907 -15.646 5.864 1.00 0.00 O ATOM 622 OE2 GLU A 117 -5.560 -14.850 7.074 1.00 0.00 O ATOM 0 H GLU A 117 -3.677 -10.986 7.486 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.014 -11.811 7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.952 -14.016 6.906 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.849 -13.262 8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.620 -12.585 6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.689 -13.082 5.299 1.00 0.00 H new ATOM 629 N GLN A 118 -2.242 -11.514 4.531 1.00 0.00 N ATOM 630 CA GLN A 118 -1.877 -11.441 3.122 1.00 0.00 C ATOM 631 C GLN A 118 -0.739 -10.450 2.905 1.00 0.00 C ATOM 632 O GLN A 118 0.282 -10.785 2.303 1.00 0.00 O ATOM 633 CB GLN A 118 -3.089 -11.037 2.280 1.00 0.00 C ATOM 634 CG GLN A 118 -4.048 -12.183 2.003 1.00 0.00 C ATOM 635 CD GLN A 118 -5.411 -11.706 1.543 1.00 0.00 C ATOM 636 OE1 GLN A 118 -6.077 -10.935 2.234 1.00 0.00 O ATOM 637 NE2 GLN A 118 -5.834 -12.163 0.370 1.00 0.00 N ATOM 0 H GLN A 118 -3.222 -11.306 4.724 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.539 -12.429 2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.627 -10.240 2.793 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.741 -10.628 1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.619 -12.834 1.241 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -4.163 -12.782 2.906 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -5.249 -12.801 -0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.744 -11.876 0.009 1.00 0.00 H new ATOM 646 N ILE A 119 -0.921 -9.230 3.399 1.00 0.00 N ATOM 647 CA ILE A 119 0.092 -8.191 3.259 1.00 0.00 C ATOM 648 C ILE A 119 1.459 -8.691 3.715 1.00 0.00 C ATOM 649 O ILE A 119 2.447 -8.571 2.991 1.00 0.00 O ATOM 650 CB ILE A 119 -0.278 -6.933 4.067 1.00 0.00 C ATOM 651 CG1 ILE A 119 -1.514 -6.260 3.468 1.00 0.00 C ATOM 652 CG2 ILE A 119 0.894 -5.964 4.103 1.00 0.00 C ATOM 653 CD1 ILE A 119 -2.085 -5.161 4.336 1.00 0.00 C ATOM 0 H ILE A 119 -1.760 -8.937 3.899 1.00 0.00 H new ATOM 0 HA ILE A 119 0.137 -7.934 2.201 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.510 -7.231 5.089 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -1.255 -5.845 2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.282 -7.014 3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.618 -5.080 4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.752 -6.447 4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.154 -5.669 3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.959 -4.729 3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -2.376 -5.574 5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -1.333 -4.386 4.484 1.00 0.00 H new ATOM 665 N SER A 120 1.506 -9.252 4.918 1.00 0.00 N ATOM 666 CA SER A 120 2.753 -9.769 5.472 1.00 0.00 C ATOM 667 C SER A 120 3.436 -10.711 4.485 1.00 0.00 C ATOM 668 O SER A 120 4.536 -10.435 4.006 1.00 0.00 O ATOM 669 CB SER A 120 2.486 -10.499 6.790 1.00 0.00 C ATOM 670 OG SER A 120 1.900 -11.769 6.560 1.00 0.00 O ATOM 0 H SER A 120 0.696 -9.361 5.528 1.00 0.00 H new ATOM 0 HA SER A 120 3.416 -8.925 5.660 1.00 0.00 H new ATOM 0 HB2 SER A 120 3.420 -10.620 7.338 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.825 -9.898 7.415 1.00 0.00 H new ATOM 0 HG SER A 120 0.946 -11.658 6.364 1.00 0.00 H new ATOM 676 N SER A 121 2.775 -11.825 4.185 1.00 0.00 N ATOM 677 CA SER A 121 3.319 -12.810 3.258 1.00 0.00 C ATOM 678 C SER A 121 3.978 -12.127 2.064 1.00 0.00 C ATOM 679 O SER A 121 5.118 -12.429 1.711 1.00 0.00 O ATOM 680 CB SER A 121 2.215 -13.753 2.777 1.00 0.00 C ATOM 681 OG SER A 121 1.356 -14.119 3.843 1.00 0.00 O ATOM 0 H SER A 121 1.862 -12.068 4.571 1.00 0.00 H new ATOM 0 HA SER A 121 4.077 -13.389 3.785 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.637 -13.269 1.990 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.661 -14.647 2.342 1.00 0.00 H new ATOM 0 HG SER A 121 0.658 -14.721 3.509 1.00 0.00 H new ATOM 687 N LYS A 122 3.251 -11.204 1.443 1.00 0.00 N ATOM 688 CA LYS A 122 3.761 -10.476 0.288 1.00 0.00 C ATOM 689 C LYS A 122 5.075 -9.777 0.623 1.00 0.00 C ATOM 690 O LYS A 122 6.048 -9.872 -0.124 1.00 0.00 O ATOM 691 CB LYS A 122 2.732 -9.449 -0.189 1.00 0.00 C ATOM 692 CG LYS A 122 1.760 -9.996 -1.220 1.00 0.00 C ATOM 693 CD LYS A 122 0.559 -9.082 -1.394 1.00 0.00 C ATOM 694 CE LYS A 122 -0.230 -9.430 -2.647 1.00 0.00 C ATOM 695 NZ LYS A 122 0.263 -8.684 -3.838 1.00 0.00 N ATOM 0 H LYS A 122 2.305 -10.942 1.721 1.00 0.00 H new ATOM 0 HA LYS A 122 3.945 -11.194 -0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.170 -9.084 0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.256 -8.593 -0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.270 -10.114 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.423 -10.987 -0.914 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.089 -9.161 -0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.894 -8.046 -1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.159 -10.501 -2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.284 -9.203 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.300 -8.949 -4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.172 -7.662 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.262 -8.920 -4.006 1.00 0.00 H new ATOM 709 N MET A 123 5.096 -9.075 1.752 1.00 0.00 N ATOM 710 CA MET A 123 6.291 -8.362 2.187 1.00 0.00 C ATOM 711 C MET A 123 7.490 -9.303 2.254 1.00 0.00 C ATOM 712 O MET A 123 8.528 -9.046 1.644 1.00 0.00 O ATOM 713 CB MET A 123 6.057 -7.716 3.554 1.00 0.00 C ATOM 714 CG MET A 123 5.270 -6.418 3.485 1.00 0.00 C ATOM 715 SD MET A 123 6.310 -4.995 3.101 1.00 0.00 S ATOM 716 CE MET A 123 7.171 -4.775 4.656 1.00 0.00 C ATOM 0 H MET A 123 4.299 -8.985 2.382 1.00 0.00 H new ATOM 0 HA MET A 123 6.504 -7.581 1.457 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.525 -8.420 4.193 1.00 0.00 H new ATOM 0 HB3 MET A 123 7.021 -7.523 4.025 1.00 0.00 H new ATOM 0 HG2 MET A 123 4.492 -6.509 2.727 1.00 0.00 H new ATOM 0 HG3 MET A 123 4.769 -6.250 4.438 1.00 0.00 H new ATOM 0 HE1 MET A 123 6.941 -3.790 5.063 1.00 0.00 H new ATOM 0 HE2 MET A 123 6.851 -5.542 5.361 1.00 0.00 H new ATOM 0 HE3 MET A 123 8.245 -4.858 4.492 1.00 0.00 H new ATOM 726 N ARG A 124 7.340 -10.393 3.000 1.00 0.00 N ATOM 727 CA ARG A 124 8.412 -11.370 3.148 1.00 0.00 C ATOM 728 C ARG A 124 8.989 -11.755 1.789 1.00 0.00 C ATOM 729 O ARG A 124 10.204 -11.856 1.627 1.00 0.00 O ATOM 730 CB ARG A 124 7.896 -12.619 3.867 1.00 0.00 C ATOM 731 CG ARG A 124 7.392 -12.346 5.275 1.00 0.00 C ATOM 732 CD ARG A 124 7.181 -13.637 6.050 1.00 0.00 C ATOM 733 NE ARG A 124 5.841 -14.182 5.852 1.00 0.00 N ATOM 734 CZ ARG A 124 5.410 -15.302 6.423 1.00 0.00 C ATOM 735 NH1 ARG A 124 6.211 -15.991 7.224 1.00 0.00 N ATOM 736 NH2 ARG A 124 4.177 -15.734 6.193 1.00 0.00 N ATOM 0 H ARG A 124 6.487 -10.621 3.511 1.00 0.00 H new ATOM 0 HA ARG A 124 9.204 -10.916 3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 124 7.089 -13.059 3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 124 8.696 -13.358 3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 124 8.108 -11.716 5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 124 6.455 -11.792 5.226 1.00 0.00 H new ATOM 0 HD2 ARG A 124 7.921 -14.373 5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 124 7.344 -13.453 7.112 1.00 0.00 H new ATOM 0 HE ARG A 124 5.200 -13.675 5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 124 7.160 -15.662 7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 124 5.879 -16.850 7.661 1.00 0.00 H new ATOM 0 HH21 ARG A 124 3.558 -15.206 5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 124 3.848 -16.594 6.632 1.00 0.00 H new ATOM 750 N GLU A 125 8.108 -11.968 0.817 1.00 0.00 N ATOM 751 CA GLU A 125 8.530 -12.343 -0.528 1.00 0.00 C ATOM 752 C GLU A 125 9.461 -11.288 -1.119 1.00 0.00 C ATOM 753 O GLU A 125 10.433 -11.614 -1.801 1.00 0.00 O ATOM 754 CB GLU A 125 7.313 -12.531 -1.435 1.00 0.00 C ATOM 755 CG GLU A 125 6.509 -13.782 -1.124 1.00 0.00 C ATOM 756 CD GLU A 125 7.327 -15.051 -1.261 1.00 0.00 C ATOM 757 OE1 GLU A 125 8.301 -15.046 -2.043 1.00 0.00 O ATOM 758 OE2 GLU A 125 6.995 -16.048 -0.587 1.00 0.00 O ATOM 0 H GLU A 125 7.098 -11.887 0.935 1.00 0.00 H new ATOM 0 HA GLU A 125 9.073 -13.286 -0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.664 -11.660 -1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.646 -12.572 -2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.117 -13.715 -0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.651 -13.833 -1.794 1.00 0.00 H new ATOM 765 N LYS A 126 9.156 -10.023 -0.853 1.00 0.00 N ATOM 766 CA LYS A 126 9.964 -8.919 -1.358 1.00 0.00 C ATOM 767 C LYS A 126 11.362 -8.945 -0.749 1.00 0.00 C ATOM 768 O LYS A 126 12.336 -8.551 -1.390 1.00 0.00 O ATOM 769 CB LYS A 126 9.287 -7.581 -1.048 1.00 0.00 C ATOM 770 CG LYS A 126 7.826 -7.529 -1.461 1.00 0.00 C ATOM 771 CD LYS A 126 7.677 -7.299 -2.955 1.00 0.00 C ATOM 772 CE LYS A 126 7.634 -8.613 -3.720 1.00 0.00 C ATOM 773 NZ LYS A 126 6.242 -9.124 -3.866 1.00 0.00 N ATOM 0 H LYS A 126 8.355 -9.736 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 126 10.055 -9.033 -2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 126 9.361 -7.385 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.828 -6.783 -1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.335 -8.462 -1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.321 -6.731 -0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.765 -6.734 -3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 126 8.509 -6.694 -3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 126 8.075 -8.473 -4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 126 8.241 -9.355 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.255 -10.021 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 5.829 -9.281 -2.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 5.669 -8.427 -4.383 1.00 0.00 H new ATOM 787 N GLY A 127 11.455 -9.415 0.491 1.00 0.00 N ATOM 788 CA GLY A 127 12.739 -9.486 1.164 1.00 0.00 C ATOM 789 C GLY A 127 12.695 -8.897 2.561 1.00 0.00 C ATOM 790 O GLY A 127 13.714 -8.837 3.249 1.00 0.00 O ATOM 0 H GLY A 127 10.664 -9.748 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 127 13.058 -10.527 1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 127 13.485 -8.956 0.573 1.00 0.00 H new ATOM 794 N PHE A 128 11.511 -8.461 2.980 1.00 0.00 N ATOM 795 CA PHE A 128 11.339 -7.872 4.303 1.00 0.00 C ATOM 796 C PHE A 128 10.652 -8.853 5.249 1.00 0.00 C ATOM 797 O PHE A 128 9.474 -9.170 5.084 1.00 0.00 O ATOM 798 CB PHE A 128 10.523 -6.581 4.207 1.00 0.00 C ATOM 799 CG PHE A 128 11.141 -5.547 3.311 1.00 0.00 C ATOM 800 CD1 PHE A 128 12.451 -5.137 3.503 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.412 -4.984 2.276 1.00 0.00 C ATOM 802 CE1 PHE A 128 13.022 -4.185 2.680 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.979 -4.032 1.449 1.00 0.00 C ATOM 804 CZ PHE A 128 12.285 -3.631 1.652 1.00 0.00 C ATOM 0 H PHE A 128 10.658 -8.504 2.423 1.00 0.00 H new ATOM 0 HA PHE A 128 12.326 -7.640 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 128 9.524 -6.818 3.840 1.00 0.00 H new ATOM 0 HB3 PHE A 128 10.404 -6.161 5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 128 13.032 -5.567 4.305 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.390 -5.292 2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 128 14.044 -3.875 2.841 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.401 -3.602 0.644 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.729 -2.886 1.008 1.00 0.00 H new ATOM 814 N ASP A 129 11.397 -9.329 6.241 1.00 0.00 N ATOM 815 CA ASP A 129 10.861 -10.273 7.215 1.00 0.00 C ATOM 816 C ASP A 129 10.170 -9.538 8.359 1.00 0.00 C ATOM 817 O ASP A 129 10.818 -9.098 9.309 1.00 0.00 O ATOM 818 CB ASP A 129 11.978 -11.162 7.763 1.00 0.00 C ATOM 819 CG ASP A 129 12.800 -11.804 6.663 1.00 0.00 C ATOM 820 OD1 ASP A 129 13.691 -11.124 6.115 1.00 0.00 O ATOM 821 OD2 ASP A 129 12.551 -12.988 6.350 1.00 0.00 O ATOM 0 H ASP A 129 12.374 -9.077 6.392 1.00 0.00 H new ATOM 0 HA ASP A 129 10.124 -10.899 6.712 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.632 -10.567 8.401 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.544 -11.941 8.390 1.00 0.00 H new ATOM 826 N ARG A 130 8.851 -9.409 8.262 1.00 0.00 N ATOM 827 CA ARG A 130 8.072 -8.726 9.287 1.00 0.00 C ATOM 828 C ARG A 130 6.776 -9.477 9.576 1.00 0.00 C ATOM 829 O ARG A 130 6.054 -9.865 8.657 1.00 0.00 O ATOM 830 CB ARG A 130 7.758 -7.294 8.850 1.00 0.00 C ATOM 831 CG ARG A 130 8.910 -6.326 9.064 1.00 0.00 C ATOM 832 CD ARG A 130 9.353 -6.299 10.518 1.00 0.00 C ATOM 833 NE ARG A 130 10.156 -5.118 10.824 1.00 0.00 N ATOM 834 CZ ARG A 130 10.574 -4.810 12.047 1.00 0.00 C ATOM 835 NH1 ARG A 130 10.269 -5.593 13.072 1.00 0.00 N ATOM 836 NH2 ARG A 130 11.301 -3.718 12.246 1.00 0.00 N ATOM 0 H ARG A 130 8.299 -9.769 7.483 1.00 0.00 H new ATOM 0 HA ARG A 130 8.666 -8.698 10.200 1.00 0.00 H new ATOM 0 HB2 ARG A 130 7.488 -7.296 7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 130 6.888 -6.937 9.401 1.00 0.00 H new ATOM 0 HG2 ARG A 130 9.750 -6.613 8.432 1.00 0.00 H new ATOM 0 HG3 ARG A 130 8.607 -5.325 8.756 1.00 0.00 H new ATOM 0 HD2 ARG A 130 8.476 -6.318 11.165 1.00 0.00 H new ATOM 0 HD3 ARG A 130 9.931 -7.197 10.738 1.00 0.00 H new ATOM 0 HE ARG A 130 10.410 -4.496 10.057 1.00 0.00 H new ATOM 0 HH11 ARG A 130 9.712 -6.434 12.923 1.00 0.00 H new ATOM 0 HH12 ARG A 130 10.591 -5.354 14.010 1.00 0.00 H new ATOM 0 HH21 ARG A 130 11.540 -3.114 11.460 1.00 0.00 H new ATOM 0 HH22 ARG A 130 11.621 -3.483 13.185 1.00 0.00 H new ATOM 850 N SER A 131 6.487 -9.678 10.858 1.00 0.00 N ATOM 851 CA SER A 131 5.280 -10.386 11.267 1.00 0.00 C ATOM 852 C SER A 131 4.031 -9.609 10.863 1.00 0.00 C ATOM 853 O SER A 131 4.076 -8.409 10.592 1.00 0.00 O ATOM 854 CB SER A 131 5.285 -10.615 12.780 1.00 0.00 C ATOM 855 OG SER A 131 5.905 -11.846 13.107 1.00 0.00 O ATOM 0 H SER A 131 7.072 -9.361 11.631 1.00 0.00 H new ATOM 0 HA SER A 131 5.266 -11.351 10.761 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.811 -9.797 13.273 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.262 -10.609 13.155 1.00 0.00 H new ATOM 0 HG SER A 131 5.897 -11.968 14.079 1.00 0.00 H new ATOM 861 N PRO A 132 2.887 -10.309 10.822 1.00 0.00 N ATOM 862 CA PRO A 132 1.603 -9.706 10.453 1.00 0.00 C ATOM 863 C PRO A 132 1.089 -8.741 11.516 1.00 0.00 C ATOM 864 O PRO A 132 0.519 -7.696 11.198 1.00 0.00 O ATOM 865 CB PRO A 132 0.668 -10.912 10.327 1.00 0.00 C ATOM 866 CG PRO A 132 1.272 -11.953 11.205 1.00 0.00 C ATOM 867 CD PRO A 132 2.760 -11.743 11.133 1.00 0.00 C ATOM 0 HA PRO A 132 1.678 -9.111 9.543 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.344 -10.663 10.646 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.601 -11.255 9.295 1.00 0.00 H new ATOM 0 HG2 PRO A 132 0.913 -11.855 12.230 1.00 0.00 H new ATOM 0 HG3 PRO A 132 1.002 -12.953 10.867 1.00 0.00 H new ATOM 0 HD2 PRO A 132 3.247 -11.995 12.075 1.00 0.00 H new ATOM 0 HD3 PRO A 132 3.217 -12.364 10.362 1.00 0.00 H new ATOM 875 N THR A 133 1.292 -9.098 12.780 1.00 0.00 N ATOM 876 CA THR A 133 0.849 -8.264 13.890 1.00 0.00 C ATOM 877 C THR A 133 1.614 -6.946 13.928 1.00 0.00 C ATOM 878 O THR A 133 1.059 -5.905 14.279 1.00 0.00 O ATOM 879 CB THR A 133 1.025 -8.985 15.240 1.00 0.00 C ATOM 880 OG1 THR A 133 2.140 -9.881 15.175 1.00 0.00 O ATOM 881 CG2 THR A 133 -0.233 -9.759 15.608 1.00 0.00 C ATOM 0 H THR A 133 1.761 -9.959 13.061 1.00 0.00 H new ATOM 0 HA THR A 133 -0.210 -8.062 13.729 1.00 0.00 H new ATOM 0 HB THR A 133 1.208 -8.233 16.008 1.00 0.00 H new ATOM 0 HG1 THR A 133 2.246 -10.334 16.037 1.00 0.00 H new ATOM 0 HG21 THR A 133 -0.085 -10.260 16.565 1.00 0.00 H new ATOM 0 HG22 THR A 133 -1.074 -9.070 15.685 1.00 0.00 H new ATOM 0 HG23 THR A 133 -0.441 -10.502 14.838 1.00 0.00 H new ATOM 889 N MET A 134 2.891 -6.998 13.564 1.00 0.00 N ATOM 890 CA MET A 134 3.731 -5.806 13.554 1.00 0.00 C ATOM 891 C MET A 134 3.202 -4.776 12.562 1.00 0.00 C ATOM 892 O MET A 134 3.067 -3.596 12.890 1.00 0.00 O ATOM 893 CB MET A 134 5.174 -6.176 13.203 1.00 0.00 C ATOM 894 CG MET A 134 5.817 -7.126 14.200 1.00 0.00 C ATOM 895 SD MET A 134 5.716 -6.525 15.897 1.00 0.00 S ATOM 896 CE MET A 134 7.357 -5.843 16.114 1.00 0.00 C ATOM 0 H MET A 134 3.366 -7.852 13.272 1.00 0.00 H new ATOM 0 HA MET A 134 3.708 -5.368 14.552 1.00 0.00 H new ATOM 0 HB2 MET A 134 5.193 -6.633 12.214 1.00 0.00 H new ATOM 0 HB3 MET A 134 5.770 -5.265 13.145 1.00 0.00 H new ATOM 0 HG2 MET A 134 5.331 -8.099 14.134 1.00 0.00 H new ATOM 0 HG3 MET A 134 6.863 -7.273 13.933 1.00 0.00 H new ATOM 0 HE1 MET A 134 7.450 -5.431 17.119 1.00 0.00 H new ATOM 0 HE2 MET A 134 8.099 -6.629 15.974 1.00 0.00 H new ATOM 0 HE3 MET A 134 7.522 -5.053 15.381 1.00 0.00 H new ATOM 906 N CYS A 135 2.905 -5.228 11.348 1.00 0.00 N ATOM 907 CA CYS A 135 2.392 -4.344 10.307 1.00 0.00 C ATOM 908 C CYS A 135 1.061 -3.728 10.725 1.00 0.00 C ATOM 909 O CYS A 135 0.804 -2.550 10.476 1.00 0.00 O ATOM 910 CB CYS A 135 2.224 -5.111 8.995 1.00 0.00 C ATOM 911 SG CYS A 135 3.782 -5.631 8.239 1.00 0.00 S ATOM 0 H CYS A 135 3.011 -6.201 11.061 1.00 0.00 H new ATOM 0 HA CYS A 135 3.113 -3.540 10.159 1.00 0.00 H new ATOM 0 HB2 CYS A 135 1.609 -5.992 9.178 1.00 0.00 H new ATOM 0 HB3 CYS A 135 1.680 -4.485 8.288 1.00 0.00 H new ATOM 0 HG CYS A 135 3.536 -6.273 7.136 1.00 0.00 H new ATOM 917 N THR A 136 0.215 -4.533 11.360 1.00 0.00 N ATOM 918 CA THR A 136 -1.091 -4.069 11.810 1.00 0.00 C ATOM 919 C THR A 136 -0.956 -2.888 12.764 1.00 0.00 C ATOM 920 O THR A 136 -1.494 -1.809 12.513 1.00 0.00 O ATOM 921 CB THR A 136 -1.876 -5.193 12.511 1.00 0.00 C ATOM 922 OG1 THR A 136 -2.253 -6.195 11.559 1.00 0.00 O ATOM 923 CG2 THR A 136 -3.119 -4.641 13.193 1.00 0.00 C ATOM 0 H THR A 136 0.412 -5.511 11.574 1.00 0.00 H new ATOM 0 HA THR A 136 -1.638 -3.754 10.921 1.00 0.00 H new ATOM 0 HB THR A 136 -1.232 -5.637 13.270 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.973 -5.851 10.990 1.00 0.00 H new ATOM 0 HG21 THR A 136 -3.657 -5.453 13.681 1.00 0.00 H new ATOM 0 HG22 THR A 136 -2.827 -3.900 13.937 1.00 0.00 H new ATOM 0 HG23 THR A 136 -3.765 -4.173 12.450 1.00 0.00 H new ATOM 931 N ASP A 137 -0.234 -3.097 13.859 1.00 0.00 N ATOM 932 CA ASP A 137 -0.026 -2.049 14.851 1.00 0.00 C ATOM 933 C ASP A 137 0.686 -0.850 14.233 1.00 0.00 C ATOM 934 O ASP A 137 0.300 0.298 14.454 1.00 0.00 O ATOM 935 CB ASP A 137 0.785 -2.586 16.031 1.00 0.00 C ATOM 936 CG ASP A 137 0.499 -1.838 17.318 1.00 0.00 C ATOM 937 OD1 ASP A 137 -0.691 -1.680 17.662 1.00 0.00 O ATOM 938 OD2 ASP A 137 1.466 -1.411 17.983 1.00 0.00 O ATOM 0 H ASP A 137 0.218 -3.984 14.082 1.00 0.00 H new ATOM 0 HA ASP A 137 -1.003 -1.724 15.210 1.00 0.00 H new ATOM 0 HB2 ASP A 137 0.561 -3.643 16.171 1.00 0.00 H new ATOM 0 HB3 ASP A 137 1.848 -2.514 15.801 1.00 0.00 H new ATOM 943 N LYS A 138 1.730 -1.123 13.457 1.00 0.00 N ATOM 944 CA LYS A 138 2.497 -0.068 12.806 1.00 0.00 C ATOM 945 C LYS A 138 1.593 0.816 11.954 1.00 0.00 C ATOM 946 O LYS A 138 1.738 2.039 11.941 1.00 0.00 O ATOM 947 CB LYS A 138 3.601 -0.674 11.937 1.00 0.00 C ATOM 948 CG LYS A 138 4.320 0.344 11.068 1.00 0.00 C ATOM 949 CD LYS A 138 5.059 1.371 11.909 1.00 0.00 C ATOM 950 CE LYS A 138 6.205 2.004 11.134 1.00 0.00 C ATOM 951 NZ LYS A 138 7.014 2.917 11.988 1.00 0.00 N ATOM 0 H LYS A 138 2.064 -2.067 13.264 1.00 0.00 H new ATOM 0 HA LYS A 138 2.951 0.548 13.582 1.00 0.00 H new ATOM 0 HB2 LYS A 138 4.329 -1.168 12.581 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.167 -1.443 11.298 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.026 -0.168 10.414 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.599 0.849 10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 138 4.364 2.146 12.232 1.00 0.00 H new ATOM 0 HD3 LYS A 138 5.446 0.895 12.810 1.00 0.00 H new ATOM 0 HE2 LYS A 138 6.847 1.221 10.730 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.806 2.559 10.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 7.785 3.328 11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 6.408 3.679 12.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 7.416 2.382 12.785 1.00 0.00 H new ATOM 965 N TRP A 139 0.660 0.191 11.246 1.00 0.00 N ATOM 966 CA TRP A 139 -0.270 0.923 10.392 1.00 0.00 C ATOM 967 C TRP A 139 -1.099 1.907 11.209 1.00 0.00 C ATOM 968 O TRP A 139 -1.033 3.117 10.992 1.00 0.00 O ATOM 969 CB TRP A 139 -1.191 -0.051 9.655 1.00 0.00 C ATOM 970 CG TRP A 139 -2.248 0.633 8.841 1.00 0.00 C ATOM 971 CD1 TRP A 139 -3.600 0.533 9.004 1.00 0.00 C ATOM 972 CD2 TRP A 139 -2.039 1.520 7.737 1.00 0.00 C ATOM 973 NE1 TRP A 139 -4.245 1.304 8.067 1.00 0.00 N ATOM 974 CE2 TRP A 139 -3.310 1.920 7.279 1.00 0.00 C ATOM 975 CE3 TRP A 139 -0.904 2.017 7.092 1.00 0.00 C ATOM 976 CZ2 TRP A 139 -3.473 2.792 6.205 1.00 0.00 C ATOM 977 CZ3 TRP A 139 -1.067 2.882 6.027 1.00 0.00 C ATOM 978 CH2 TRP A 139 -2.344 3.263 5.592 1.00 0.00 C ATOM 0 H TRP A 139 0.527 -0.820 11.246 1.00 0.00 H new ATOM 0 HA TRP A 139 0.311 1.486 9.662 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -0.591 -0.683 9.001 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.670 -0.708 10.381 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -4.090 -0.064 9.758 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -5.256 1.402 7.974 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.084 1.730 7.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.456 3.086 5.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.196 3.271 5.521 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.439 3.941 4.757 1.00 0.00 H new ATOM 989 N ARG A 140 -1.879 1.382 12.148 1.00 0.00 N ATOM 990 CA ARG A 140 -2.722 2.215 12.996 1.00 0.00 C ATOM 991 C ARG A 140 -1.979 3.477 13.428 1.00 0.00 C ATOM 992 O ARG A 140 -2.536 4.573 13.410 1.00 0.00 O ATOM 993 CB ARG A 140 -3.176 1.431 14.228 1.00 0.00 C ATOM 994 CG ARG A 140 -4.447 0.627 14.004 1.00 0.00 C ATOM 995 CD ARG A 140 -4.150 -0.714 13.352 1.00 0.00 C ATOM 996 NE ARG A 140 -5.167 -1.713 13.667 1.00 0.00 N ATOM 997 CZ ARG A 140 -6.408 -1.673 13.197 1.00 0.00 C ATOM 998 NH1 ARG A 140 -6.784 -0.687 12.393 1.00 0.00 N ATOM 999 NH2 ARG A 140 -7.276 -2.619 13.529 1.00 0.00 N ATOM 0 H ARG A 140 -1.944 0.382 12.341 1.00 0.00 H new ATOM 0 HA ARG A 140 -3.598 2.509 12.418 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -2.377 0.755 14.533 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -3.336 2.126 15.052 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -4.950 0.466 14.958 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.132 1.195 13.375 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -4.090 -0.586 12.271 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -3.176 -1.071 13.685 1.00 0.00 H new ATOM 0 HE ARG A 140 -4.910 -2.485 14.282 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.119 0.042 12.135 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -7.738 -0.658 12.033 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -6.991 -3.379 14.146 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -8.229 -2.587 13.167 1.00 0.00 H new ATOM 1013 N ASN A 141 -0.719 3.312 13.817 1.00 0.00 N ATOM 1014 CA ASN A 141 0.099 4.437 14.255 1.00 0.00 C ATOM 1015 C ASN A 141 0.319 5.426 13.114 1.00 0.00 C ATOM 1016 O ASN A 141 0.255 6.640 13.310 1.00 0.00 O ATOM 1017 CB ASN A 141 1.447 3.939 14.781 1.00 0.00 C ATOM 1018 CG ASN A 141 2.029 4.856 15.840 1.00 0.00 C ATOM 1019 OD1 ASN A 141 2.317 6.024 15.575 1.00 0.00 O ATOM 1020 ND2 ASN A 141 2.204 4.330 17.046 1.00 0.00 N ATOM 0 H ASN A 141 -0.242 2.410 13.838 1.00 0.00 H new ATOM 0 HA ASN A 141 -0.430 4.949 15.059 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.324 2.939 15.198 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.149 3.855 13.951 1.00 0.00 H new ATOM 0 HD21 ASN A 141 2.591 4.899 17.799 1.00 0.00 H new ATOM 0 HD22 ASN A 141 1.951 3.357 17.220 1.00 0.00 H new ATOM 1027 N LEU A 142 0.579 4.898 11.923 1.00 0.00 N ATOM 1028 CA LEU A 142 0.808 5.734 10.750 1.00 0.00 C ATOM 1029 C LEU A 142 -0.402 6.618 10.466 1.00 0.00 C ATOM 1030 O LEU A 142 -0.266 7.731 9.956 1.00 0.00 O ATOM 1031 CB LEU A 142 1.113 4.862 9.530 1.00 0.00 C ATOM 1032 CG LEU A 142 2.538 4.315 9.436 1.00 0.00 C ATOM 1033 CD1 LEU A 142 2.618 3.210 8.394 1.00 0.00 C ATOM 1034 CD2 LEU A 142 3.518 5.432 9.108 1.00 0.00 C ATOM 0 H LEU A 142 0.636 3.895 11.744 1.00 0.00 H new ATOM 0 HA LEU A 142 1.664 6.376 10.954 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.421 4.020 9.528 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.909 5.445 8.632 1.00 0.00 H new ATOM 0 HG LEU A 142 2.809 3.894 10.404 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.639 2.833 8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 142 1.946 2.398 8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.326 3.606 7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 142 4.527 5.024 9.045 1.00 0.00 H new ATOM 0 HD22 LEU A 142 3.249 5.883 8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 142 3.481 6.190 9.891 1.00 0.00 H new ATOM 1046 N LEU A 143 -1.586 6.118 10.803 1.00 0.00 N ATOM 1047 CA LEU A 143 -2.821 6.863 10.587 1.00 0.00 C ATOM 1048 C LEU A 143 -2.934 8.025 11.569 1.00 0.00 C ATOM 1049 O LEU A 143 -3.275 9.145 11.186 1.00 0.00 O ATOM 1050 CB LEU A 143 -4.031 5.938 10.733 1.00 0.00 C ATOM 1051 CG LEU A 143 -3.955 4.610 9.980 1.00 0.00 C ATOM 1052 CD1 LEU A 143 -5.088 3.689 10.404 1.00 0.00 C ATOM 1053 CD2 LEU A 143 -3.992 4.847 8.477 1.00 0.00 C ATOM 0 H LEU A 143 -1.717 5.200 11.227 1.00 0.00 H new ATOM 0 HA LEU A 143 -2.800 7.267 9.575 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -4.174 5.724 11.792 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -4.917 6.475 10.394 1.00 0.00 H new ATOM 0 HG LEU A 143 -3.010 4.127 10.229 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.017 2.749 9.857 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.016 3.493 11.474 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.044 4.164 10.186 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -3.937 3.891 7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -4.921 5.352 8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -3.145 5.468 8.186 1.00 0.00 H new ATOM 1065 N LYS A 144 -2.643 7.753 12.837 1.00 0.00 N ATOM 1066 CA LYS A 144 -2.709 8.775 13.874 1.00 0.00 C ATOM 1067 C LYS A 144 -1.727 9.906 13.586 1.00 0.00 C ATOM 1068 O LYS A 144 -2.040 11.079 13.789 1.00 0.00 O ATOM 1069 CB LYS A 144 -2.409 8.162 15.243 1.00 0.00 C ATOM 1070 CG LYS A 144 -2.733 9.083 16.407 1.00 0.00 C ATOM 1071 CD LYS A 144 -1.561 9.988 16.745 1.00 0.00 C ATOM 1072 CE LYS A 144 -1.829 10.801 18.002 1.00 0.00 C ATOM 1073 NZ LYS A 144 -0.566 11.205 18.681 1.00 0.00 N ATOM 0 H LYS A 144 -2.359 6.832 13.171 1.00 0.00 H new ATOM 0 HA LYS A 144 -3.719 9.186 13.880 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -2.979 7.239 15.351 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -1.354 7.892 15.287 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -3.604 9.691 16.160 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -2.998 8.487 17.281 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -0.663 9.386 16.885 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -1.367 10.661 15.910 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -2.403 11.691 17.744 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -2.440 10.216 18.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -0.791 11.757 19.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -0.030 10.356 18.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 0.006 11.785 18.034 1.00 0.00 H new ATOM 1087 N GLU A 145 -0.539 9.546 13.110 1.00 0.00 N ATOM 1088 CA GLU A 145 0.488 10.532 12.793 1.00 0.00 C ATOM 1089 C GLU A 145 0.175 11.240 11.479 1.00 0.00 C ATOM 1090 O GLU A 145 0.375 12.448 11.348 1.00 0.00 O ATOM 1091 CB GLU A 145 1.861 9.862 12.711 1.00 0.00 C ATOM 1092 CG GLU A 145 2.018 8.941 11.512 1.00 0.00 C ATOM 1093 CD GLU A 145 3.328 8.178 11.530 1.00 0.00 C ATOM 1094 OE1 GLU A 145 3.393 7.124 12.196 1.00 0.00 O ATOM 1095 OE2 GLU A 145 4.290 8.636 10.878 1.00 0.00 O ATOM 0 H GLU A 145 -0.264 8.579 12.935 1.00 0.00 H new ATOM 0 HA GLU A 145 0.502 11.275 13.591 1.00 0.00 H new ATOM 0 HB2 GLU A 145 2.630 10.633 12.670 1.00 0.00 H new ATOM 0 HB3 GLU A 145 2.032 9.290 13.623 1.00 0.00 H new ATOM 0 HG2 GLU A 145 1.190 8.233 11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 145 1.957 9.529 10.596 1.00 0.00 H new