USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 417 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 37 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 110:sc= -4.11! USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0549 USER MOD Single : A 35 HIS : no HD1:sc= -0.0422 X(o=-0.042,f=-0.069) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 156:sc= 0.0885 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.17! C(o=-2.2!,f=-5.6!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -25:sc= 0.194 USER MOD Single : A 58 ASN : amide:sc= -0.0267 K(o=-0.027,f=-1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 -4.411 16.453 -1.088 1.00 0.00 N ATOM 89 CA VAL A 9 -4.844 16.648 -2.467 1.00 0.00 C ATOM 90 C VAL A 9 -5.364 15.348 -3.069 1.00 0.00 C ATOM 91 O VAL A 9 -4.815 14.274 -2.820 1.00 0.00 O ATOM 92 CB VAL A 9 -3.698 17.186 -3.344 1.00 0.00 C ATOM 93 CG1 VAL A 9 -2.599 16.144 -3.485 1.00 0.00 C ATOM 94 CG2 VAL A 9 -4.224 17.605 -4.709 1.00 0.00 C ATOM 0 HA VAL A 9 -5.650 17.382 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.273 18.064 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.798 16.542 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.204 15.897 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.007 15.246 -3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.401 17.983 -5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.675 16.745 -5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.973 18.387 -4.586 1.00 0.00 H new ATOM 104 N TRP A 10 -6.423 15.452 -3.863 1.00 0.00 N ATOM 105 CA TRP A 10 -7.017 14.283 -4.502 1.00 0.00 C ATOM 106 C TRP A 10 -6.501 14.121 -5.927 1.00 0.00 C ATOM 107 O TRP A 10 -6.002 15.071 -6.530 1.00 0.00 O ATOM 108 CB TRP A 10 -8.542 14.400 -4.509 1.00 0.00 C ATOM 109 CG TRP A 10 -9.155 14.262 -3.148 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.724 15.254 -2.402 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.257 13.064 -2.372 1.00 0.00 C ATOM 112 NE1 TRP A 10 -10.175 14.744 -1.208 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.901 13.403 -1.165 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.870 11.737 -2.578 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -10.163 12.463 -0.172 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -9.131 10.806 -1.592 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.773 11.172 -0.401 1.00 0.00 C ATOM 0 H TRP A 10 -6.888 16.333 -4.080 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.730 13.401 -3.929 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.823 15.365 -4.930 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -8.955 13.634 -5.165 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.807 16.287 -2.705 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.639 15.278 -0.473 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.375 11.445 -3.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.657 12.743 0.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.835 9.778 -1.741 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.963 10.420 0.351 1.00 0.00 H new ATOM 128 N LYS A 11 -6.623 12.910 -6.462 1.00 0.00 N ATOM 129 CA LYS A 11 -6.170 12.623 -7.818 1.00 0.00 C ATOM 130 C LYS A 11 -7.139 11.684 -8.528 1.00 0.00 C ATOM 131 O LYS A 11 -7.797 10.847 -7.908 1.00 0.00 O ATOM 132 CB LYS A 11 -4.771 12.004 -7.790 1.00 0.00 C ATOM 133 CG LYS A 11 -4.680 10.746 -6.943 1.00 0.00 C ATOM 134 CD LYS A 11 -4.422 11.075 -5.482 1.00 0.00 C ATOM 135 CE LYS A 11 -2.957 11.399 -5.233 1.00 0.00 C ATOM 136 NZ LYS A 11 -2.147 10.168 -5.017 1.00 0.00 N ATOM 0 H LYS A 11 -7.032 12.112 -5.977 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.134 13.563 -8.369 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.466 11.768 -8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.064 12.741 -7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.607 10.179 -7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.880 10.109 -7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.039 11.923 -5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.720 10.231 -4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.558 11.952 -6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.871 12.048 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.154 10.430 -4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.512 9.653 -4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.208 9.560 -5.859 1.00 0.00 H new ATOM 150 N PRO A 12 -7.230 11.821 -9.859 1.00 0.00 N ATOM 151 CA PRO A 12 -8.115 10.991 -10.682 1.00 0.00 C ATOM 152 C PRO A 12 -7.641 9.545 -10.766 1.00 0.00 C ATOM 153 O PRO A 12 -6.620 9.251 -11.385 1.00 0.00 O ATOM 154 CB PRO A 12 -8.047 11.657 -12.059 1.00 0.00 C ATOM 155 CG PRO A 12 -6.730 12.354 -12.078 1.00 0.00 C ATOM 156 CD PRO A 12 -6.476 12.797 -10.663 1.00 0.00 C ATOM 0 HA PRO A 12 -9.122 10.936 -10.269 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.116 10.920 -12.859 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.869 12.359 -12.200 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.941 11.688 -12.426 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.749 13.207 -12.757 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.413 12.781 -10.422 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.826 13.815 -10.492 1.00 0.00 H new ATOM 164 N GLY A 13 -8.391 8.644 -10.137 1.00 0.00 N ATOM 165 CA GLY A 13 -8.030 7.238 -10.154 1.00 0.00 C ATOM 166 C GLY A 13 -7.576 6.740 -8.796 1.00 0.00 C ATOM 167 O GLY A 13 -6.689 5.891 -8.703 1.00 0.00 O ATOM 0 H GLY A 13 -9.241 8.862 -9.617 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.886 6.650 -10.486 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.233 7.079 -10.881 1.00 0.00 H new ATOM 171 N ASP A 14 -8.184 7.270 -7.740 1.00 0.00 N ATOM 172 CA ASP A 14 -7.837 6.874 -6.380 1.00 0.00 C ATOM 173 C ASP A 14 -9.088 6.523 -5.580 1.00 0.00 C ATOM 174 O ASP A 14 -9.978 7.354 -5.407 1.00 0.00 O ATOM 175 CB ASP A 14 -7.067 7.996 -5.681 1.00 0.00 C ATOM 176 CG ASP A 14 -5.571 7.899 -5.906 1.00 0.00 C ATOM 177 OD1 ASP A 14 -5.155 7.770 -7.076 1.00 0.00 O ATOM 178 OD2 ASP A 14 -4.817 7.951 -4.912 1.00 0.00 O ATOM 0 H ASP A 14 -8.919 7.975 -7.800 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.204 5.989 -6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.424 8.959 -6.045 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.273 7.963 -4.611 1.00 0.00 H new ATOM 183 N GLU A 15 -9.146 5.287 -5.095 1.00 0.00 N ATOM 184 CA GLU A 15 -10.289 4.826 -4.315 1.00 0.00 C ATOM 185 C GLU A 15 -10.514 5.720 -3.099 1.00 0.00 C ATOM 186 O GLU A 15 -9.613 5.910 -2.280 1.00 0.00 O ATOM 187 CB GLU A 15 -10.078 3.379 -3.866 1.00 0.00 C ATOM 188 CG GLU A 15 -9.789 2.422 -5.011 1.00 0.00 C ATOM 189 CD GLU A 15 -8.913 1.258 -4.591 1.00 0.00 C ATOM 190 OE1 GLU A 15 -9.343 0.478 -3.715 1.00 0.00 O ATOM 191 OE2 GLU A 15 -7.798 1.127 -5.137 1.00 0.00 O ATOM 0 H GLU A 15 -8.416 4.587 -5.228 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.174 4.876 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.251 3.344 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.967 3.039 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.730 2.040 -5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.301 2.966 -5.820 1.00 0.00 H new ATOM 198 N CYS A 16 -11.719 6.267 -2.989 1.00 0.00 N ATOM 199 CA CYS A 16 -12.063 7.142 -1.874 1.00 0.00 C ATOM 200 C CYS A 16 -13.542 7.020 -1.522 1.00 0.00 C ATOM 201 O CYS A 16 -14.339 6.515 -2.313 1.00 0.00 O ATOM 202 CB CYS A 16 -11.726 8.594 -2.216 1.00 0.00 C ATOM 203 SG CYS A 16 -12.341 9.135 -3.828 1.00 0.00 S ATOM 0 H CYS A 16 -12.475 6.120 -3.658 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.476 6.834 -1.009 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.140 9.243 -1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.644 8.720 -2.191 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.308 9.987 -3.660 1.00 0.00 H new ATOM 209 N PHE A 17 -13.901 7.483 -0.330 1.00 0.00 N ATOM 210 CA PHE A 17 -15.284 7.423 0.129 1.00 0.00 C ATOM 211 C PHE A 17 -15.982 8.766 -0.069 1.00 0.00 C ATOM 212 O PHE A 17 -15.602 9.769 0.533 1.00 0.00 O ATOM 213 CB PHE A 17 -15.338 7.021 1.604 1.00 0.00 C ATOM 214 CG PHE A 17 -15.428 5.537 1.818 1.00 0.00 C ATOM 215 CD1 PHE A 17 -14.287 4.750 1.800 1.00 0.00 C ATOM 216 CD2 PHE A 17 -16.653 4.928 2.038 1.00 0.00 C ATOM 217 CE1 PHE A 17 -14.368 3.385 1.995 1.00 0.00 C ATOM 218 CE2 PHE A 17 -16.740 3.563 2.235 1.00 0.00 C ATOM 219 CZ PHE A 17 -15.595 2.790 2.214 1.00 0.00 C ATOM 0 H PHE A 17 -13.254 7.904 0.336 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.804 6.671 -0.465 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.449 7.399 2.108 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.198 7.500 2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.324 5.209 1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -17.551 5.528 2.056 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.472 2.783 1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -17.701 3.101 2.405 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.659 1.723 2.368 1.00 0.00 H new ATOM 229 N ALA A 18 -17.003 8.775 -0.919 1.00 0.00 N ATOM 230 CA ALA A 18 -17.755 9.993 -1.197 1.00 0.00 C ATOM 231 C ALA A 18 -19.173 9.900 -0.644 1.00 0.00 C ATOM 232 O ALA A 18 -19.842 8.876 -0.789 1.00 0.00 O ATOM 233 CB ALA A 18 -17.787 10.264 -2.694 1.00 0.00 C ATOM 0 H ALA A 18 -17.329 7.953 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.252 10.823 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.352 11.176 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.769 10.383 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.264 9.428 -3.205 1.00 0.00 H new ATOM 239 N LEU A 19 -19.627 10.975 -0.009 1.00 0.00 N ATOM 240 CA LEU A 19 -20.967 11.015 0.566 1.00 0.00 C ATOM 241 C LEU A 19 -22.024 11.160 -0.524 1.00 0.00 C ATOM 242 O LEU A 19 -21.859 11.940 -1.463 1.00 0.00 O ATOM 243 CB LEU A 19 -21.082 12.172 1.561 1.00 0.00 C ATOM 244 CG LEU A 19 -22.044 11.959 2.730 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.435 11.019 3.758 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.407 13.291 3.371 1.00 0.00 C ATOM 0 H LEU A 19 -19.087 11.830 0.121 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.139 10.075 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.091 12.377 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.395 13.063 1.017 1.00 0.00 H new ATOM 0 HG LEU A 19 -22.956 11.502 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -22.134 10.879 4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.227 10.056 3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.507 11.447 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -23.092 13.120 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.503 13.775 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.886 13.932 2.631 1.00 0.00 H new ATOM 258 N TYR A 20 -23.110 10.406 -0.392 1.00 0.00 N ATOM 259 CA TYR A 20 -24.194 10.450 -1.365 1.00 0.00 C ATOM 260 C TYR A 20 -24.994 11.742 -1.231 1.00 0.00 C ATOM 261 O TYR A 20 -24.846 12.479 -0.256 1.00 0.00 O ATOM 262 CB TYR A 20 -25.117 9.244 -1.187 1.00 0.00 C ATOM 263 CG TYR A 20 -25.782 8.795 -2.468 1.00 0.00 C ATOM 264 CD1 TYR A 20 -25.053 8.669 -3.645 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.138 8.496 -2.502 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.657 8.260 -4.818 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.750 8.084 -3.671 1.00 0.00 C ATOM 268 CZ TYR A 20 -27.005 7.968 -4.826 1.00 0.00 C ATOM 269 OH TYR A 20 -27.609 7.559 -5.993 1.00 0.00 O ATOM 0 H TYR A 20 -23.262 9.757 0.380 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.755 10.418 -2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.541 8.414 -0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.886 9.491 -0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -23.997 8.895 -3.642 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.724 8.587 -1.600 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.077 8.169 -5.724 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.805 7.854 -3.680 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.561 7.393 -5.828 1.00 0.00 H new ATOM 279 N TRP A 21 -25.842 12.010 -2.218 1.00 0.00 N ATOM 280 CA TRP A 21 -26.668 13.212 -2.211 1.00 0.00 C ATOM 281 C TRP A 21 -28.114 12.878 -1.861 1.00 0.00 C ATOM 282 O TRP A 21 -28.959 13.767 -1.766 1.00 0.00 O ATOM 283 CB TRP A 21 -26.606 13.905 -3.573 1.00 0.00 C ATOM 284 CG TRP A 21 -27.167 13.075 -4.688 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.471 12.250 -5.525 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.539 12.991 -5.087 1.00 0.00 C ATOM 287 NE1 TRP A 21 -27.329 11.659 -6.421 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.603 12.096 -6.173 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.720 13.584 -4.633 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.801 11.782 -6.810 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.909 13.271 -5.266 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.942 12.377 -6.344 1.00 0.00 C ATOM 0 H TRP A 21 -25.975 11.411 -3.033 1.00 0.00 H new ATOM 0 HA TRP A 21 -26.277 13.887 -1.449 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -27.154 14.846 -3.519 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.569 14.152 -3.800 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.404 12.086 -5.488 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -27.060 11.001 -7.153 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.704 14.274 -3.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.829 11.094 -7.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.828 13.724 -4.923 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.887 12.153 -6.817 1.00 0.00 H new ATOM 303 N GLU A 22 -28.390 11.591 -1.672 1.00 0.00 N ATOM 304 CA GLU A 22 -29.736 11.142 -1.333 1.00 0.00 C ATOM 305 C GLU A 22 -29.737 10.376 -0.013 1.00 0.00 C ATOM 306 O GLU A 22 -30.795 10.079 0.543 1.00 0.00 O ATOM 307 CB GLU A 22 -30.298 10.258 -2.449 1.00 0.00 C ATOM 308 CG GLU A 22 -30.837 11.043 -3.633 1.00 0.00 C ATOM 309 CD GLU A 22 -31.891 10.277 -4.409 1.00 0.00 C ATOM 310 OE1 GLU A 22 -31.661 9.086 -4.705 1.00 0.00 O ATOM 311 OE2 GLU A 22 -32.945 10.869 -4.720 1.00 0.00 O ATOM 0 H GLU A 22 -27.701 10.842 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.369 12.022 -1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.515 9.584 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -31.096 9.637 -2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -31.263 11.982 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.014 11.298 -4.300 1.00 0.00 H new ATOM 318 N ASP A 23 -28.546 10.059 0.481 1.00 0.00 N ATOM 319 CA ASP A 23 -28.409 9.328 1.736 1.00 0.00 C ATOM 320 C ASP A 23 -27.474 10.062 2.693 1.00 0.00 C ATOM 321 O ASP A 23 -27.624 9.974 3.911 1.00 0.00 O ATOM 322 CB ASP A 23 -27.883 7.916 1.473 1.00 0.00 C ATOM 323 CG ASP A 23 -28.963 6.982 0.964 1.00 0.00 C ATOM 324 OD1 ASP A 23 -30.157 7.310 1.128 1.00 0.00 O ATOM 325 OD2 ASP A 23 -28.614 5.923 0.402 1.00 0.00 O ATOM 0 H ASP A 23 -27.661 10.296 0.032 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.394 9.261 2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -27.074 7.963 0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -27.461 7.511 2.393 1.00 0.00 H new ATOM 330 N ASN A 24 -26.510 10.785 2.133 1.00 0.00 N ATOM 331 CA ASN A 24 -25.550 11.533 2.936 1.00 0.00 C ATOM 332 C ASN A 24 -24.658 10.589 3.737 1.00 0.00 C ATOM 333 O ASN A 24 -24.188 10.932 4.821 1.00 0.00 O ATOM 334 CB ASN A 24 -26.281 12.488 3.883 1.00 0.00 C ATOM 335 CG ASN A 24 -27.240 13.406 3.151 1.00 0.00 C ATOM 336 OD1 ASN A 24 -28.383 13.039 2.879 1.00 0.00 O ATOM 337 ND2 ASN A 24 -26.777 14.609 2.829 1.00 0.00 N ATOM 0 H ASN A 24 -26.373 10.869 1.126 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.921 12.112 2.260 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -26.831 11.909 4.625 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.550 13.088 4.425 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -27.376 15.271 2.336 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -25.822 14.871 3.075 1.00 0.00 H new ATOM 344 N LYS A 25 -24.429 9.398 3.194 1.00 0.00 N ATOM 345 CA LYS A 25 -23.592 8.404 3.854 1.00 0.00 C ATOM 346 C LYS A 25 -22.350 8.099 3.023 1.00 0.00 C ATOM 347 O LYS A 25 -22.404 8.077 1.793 1.00 0.00 O ATOM 348 CB LYS A 25 -24.386 7.117 4.094 1.00 0.00 C ATOM 349 CG LYS A 25 -25.533 7.285 5.076 1.00 0.00 C ATOM 350 CD LYS A 25 -25.820 5.993 5.823 1.00 0.00 C ATOM 351 CE LYS A 25 -27.003 6.147 6.767 1.00 0.00 C ATOM 352 NZ LYS A 25 -28.302 5.972 6.061 1.00 0.00 N ATOM 0 H LYS A 25 -24.812 9.098 2.298 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.274 8.813 4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -24.782 6.761 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.710 6.347 4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -25.290 8.073 5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -26.428 7.604 4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -26.025 5.196 5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -24.938 5.695 6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -26.925 5.414 7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -26.972 7.133 7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -29.083 6.084 6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -28.389 6.687 5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -28.343 5.022 5.640 1.00 0.00 H new ATOM 366 N PHE A 26 -21.232 7.864 3.702 1.00 0.00 N ATOM 367 CA PHE A 26 -19.976 7.560 3.026 1.00 0.00 C ATOM 368 C PHE A 26 -20.058 6.218 2.304 1.00 0.00 C ATOM 369 O PHE A 26 -20.375 5.194 2.909 1.00 0.00 O ATOM 370 CB PHE A 26 -18.823 7.542 4.032 1.00 0.00 C ATOM 371 CG PHE A 26 -18.492 8.897 4.589 1.00 0.00 C ATOM 372 CD1 PHE A 26 -17.717 9.788 3.864 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.955 9.279 5.837 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.410 11.035 4.375 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.652 10.525 6.353 1.00 0.00 C ATOM 376 CZ PHE A 26 -17.879 11.405 5.620 1.00 0.00 C ATOM 0 H PHE A 26 -21.170 7.878 4.720 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.792 8.339 2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.079 6.873 4.854 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.937 7.130 3.549 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.349 9.505 2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.560 8.595 6.414 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -16.804 11.720 3.801 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -19.019 10.810 7.328 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.642 12.380 6.020 1.00 0.00 H new ATOM 386 N TYR A 27 -19.771 6.233 1.008 1.00 0.00 N ATOM 387 CA TYR A 27 -19.814 5.019 0.202 1.00 0.00 C ATOM 388 C TYR A 27 -18.561 4.891 -0.660 1.00 0.00 C ATOM 389 O TYR A 27 -18.013 5.889 -1.128 1.00 0.00 O ATOM 390 CB TYR A 27 -21.060 5.015 -0.686 1.00 0.00 C ATOM 391 CG TYR A 27 -22.356 4.959 0.089 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.555 4.006 1.081 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.383 5.859 -0.169 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.738 3.950 1.792 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.569 5.811 0.538 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.742 4.855 1.517 1.00 0.00 C ATOM 397 OH TYR A 27 -25.922 4.804 2.223 1.00 0.00 O ATOM 0 H TYR A 27 -19.506 7.072 0.493 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.855 4.166 0.879 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -21.056 5.911 -1.307 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -21.012 4.160 -1.360 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.771 3.297 1.300 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.252 6.609 -0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.876 3.202 2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.357 6.519 0.325 1.00 0.00 H new ATOM 0 HH TYR A 27 -26.523 5.511 1.907 1.00 0.00 H new ATOM 407 N ARG A 28 -18.115 3.656 -0.865 1.00 0.00 N ATOM 408 CA ARG A 28 -16.927 3.397 -1.669 1.00 0.00 C ATOM 409 C ARG A 28 -17.041 4.063 -3.037 1.00 0.00 C ATOM 410 O ARG A 28 -18.110 4.076 -3.645 1.00 0.00 O ATOM 411 CB ARG A 28 -16.720 1.891 -1.839 1.00 0.00 C ATOM 412 CG ARG A 28 -15.262 1.491 -2.000 1.00 0.00 C ATOM 413 CD ARG A 28 -14.612 1.202 -0.656 1.00 0.00 C ATOM 414 NE ARG A 28 -15.257 0.089 0.036 1.00 0.00 N ATOM 415 CZ ARG A 28 -15.000 -1.187 -0.227 1.00 0.00 C ATOM 416 NH1 ARG A 28 -14.116 -1.511 -1.161 1.00 0.00 N ATOM 417 NH2 ARG A 28 -15.628 -2.144 0.445 1.00 0.00 N ATOM 0 H ARG A 28 -18.558 2.819 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 28 -16.067 3.819 -1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -17.136 1.376 -0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -17.279 1.552 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.194 0.608 -2.636 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.718 2.290 -2.504 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.557 0.973 -0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.660 2.094 -0.031 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.942 0.304 0.761 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.631 -0.779 -1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.921 -2.492 -1.360 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.309 -1.900 1.164 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.430 -3.124 0.242 1.00 0.00 H new ATOM 431 N ALA A 29 -15.930 4.616 -3.514 1.00 0.00 N ATOM 432 CA ALA A 29 -15.905 5.282 -4.810 1.00 0.00 C ATOM 433 C ALA A 29 -14.473 5.503 -5.286 1.00 0.00 C ATOM 434 O ALA A 29 -13.521 5.056 -4.646 1.00 0.00 O ATOM 435 CB ALA A 29 -16.648 6.608 -4.737 1.00 0.00 C ATOM 0 H ALA A 29 -15.036 4.616 -3.022 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.405 4.636 -5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.621 7.094 -5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.684 6.429 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.172 7.252 -3.997 1.00 0.00 H new ATOM 441 N GLU A 30 -14.328 6.193 -6.412 1.00 0.00 N ATOM 442 CA GLU A 30 -13.011 6.471 -6.974 1.00 0.00 C ATOM 443 C GLU A 30 -13.003 7.808 -7.708 1.00 0.00 C ATOM 444 O GLU A 30 -13.768 8.016 -8.650 1.00 0.00 O ATOM 445 CB GLU A 30 -12.592 5.350 -7.928 1.00 0.00 C ATOM 446 CG GLU A 30 -11.160 5.473 -8.420 1.00 0.00 C ATOM 447 CD GLU A 30 -10.626 4.174 -8.991 1.00 0.00 C ATOM 448 OE1 GLU A 30 -10.228 3.297 -8.196 1.00 0.00 O ATOM 449 OE2 GLU A 30 -10.604 4.035 -10.232 1.00 0.00 O ATOM 0 H GLU A 30 -15.106 6.570 -6.954 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.298 6.524 -6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.713 4.391 -7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.263 5.345 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.107 6.250 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.523 5.792 -7.595 1.00 0.00 H new ATOM 456 N VAL A 31 -12.134 8.713 -7.269 1.00 0.00 N ATOM 457 CA VAL A 31 -12.025 10.030 -7.884 1.00 0.00 C ATOM 458 C VAL A 31 -11.966 9.924 -9.404 1.00 0.00 C ATOM 459 O VAL A 31 -10.951 9.516 -9.968 1.00 0.00 O ATOM 460 CB VAL A 31 -10.777 10.782 -7.384 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.680 12.151 -8.039 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.804 10.909 -5.868 1.00 0.00 C ATOM 0 H VAL A 31 -11.495 8.558 -6.489 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.916 10.588 -7.596 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.893 10.209 -7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.792 12.667 -7.673 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.612 12.033 -9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.567 12.736 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.915 11.443 -5.532 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.694 11.460 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.822 9.916 -5.420 1.00 0.00 H new ATOM 472 N GLU A 32 -13.060 10.296 -10.061 1.00 0.00 N ATOM 473 CA GLU A 32 -13.132 10.242 -11.516 1.00 0.00 C ATOM 474 C GLU A 32 -12.345 11.389 -12.143 1.00 0.00 C ATOM 475 O GLU A 32 -11.457 11.170 -12.966 1.00 0.00 O ATOM 476 CB GLU A 32 -14.589 10.296 -11.979 1.00 0.00 C ATOM 477 CG GLU A 32 -14.842 9.553 -13.281 1.00 0.00 C ATOM 478 CD GLU A 32 -14.524 8.074 -13.180 1.00 0.00 C ATOM 479 OE1 GLU A 32 -14.410 7.567 -12.045 1.00 0.00 O ATOM 480 OE2 GLU A 32 -14.391 7.423 -14.238 1.00 0.00 O ATOM 0 H GLU A 32 -13.908 10.638 -9.609 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.690 9.300 -11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.225 9.874 -11.200 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.884 11.338 -12.102 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.886 9.677 -13.569 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.238 9.998 -14.072 1.00 0.00 H new ATOM 487 N ALA A 33 -12.678 12.613 -11.747 1.00 0.00 N ATOM 488 CA ALA A 33 -12.003 13.795 -12.268 1.00 0.00 C ATOM 489 C ALA A 33 -12.249 15.006 -11.374 1.00 0.00 C ATOM 490 O ALA A 33 -13.388 15.302 -11.012 1.00 0.00 O ATOM 491 CB ALA A 33 -12.463 14.083 -13.689 1.00 0.00 C ATOM 0 H ALA A 33 -13.412 12.812 -11.067 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.931 13.596 -12.279 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.950 14.968 -14.065 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.230 13.230 -14.327 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.539 14.257 -13.695 1.00 0.00 H new ATOM 497 N LEU A 34 -11.174 15.703 -11.021 1.00 0.00 N ATOM 498 CA LEU A 34 -11.273 16.883 -10.169 1.00 0.00 C ATOM 499 C LEU A 34 -11.612 18.122 -10.991 1.00 0.00 C ATOM 500 O LEU A 34 -11.493 18.118 -12.217 1.00 0.00 O ATOM 501 CB LEU A 34 -9.961 17.101 -9.413 1.00 0.00 C ATOM 502 CG LEU A 34 -9.380 15.875 -8.708 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.881 16.035 -8.509 1.00 0.00 C ATOM 504 CD2 LEU A 34 -10.076 15.647 -7.374 1.00 0.00 C ATOM 0 H LEU A 34 -10.224 15.471 -11.312 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.076 16.716 -9.451 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.218 17.477 -10.116 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.119 17.882 -8.669 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.551 15.002 -9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.485 15.153 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.395 16.149 -9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.687 16.918 -7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.650 14.770 -6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.937 16.520 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.141 15.487 -7.542 1.00 0.00 H new ATOM 516 N HIS A 35 -12.033 19.182 -10.309 1.00 0.00 N ATOM 517 CA HIS A 35 -12.386 20.430 -10.976 1.00 0.00 C ATOM 518 C HIS A 35 -11.274 21.463 -10.821 1.00 0.00 C ATOM 519 O HIS A 35 -10.577 21.491 -9.807 1.00 0.00 O ATOM 520 CB HIS A 35 -13.695 20.983 -10.410 1.00 0.00 C ATOM 521 CG HIS A 35 -14.351 21.995 -11.298 1.00 0.00 C ATOM 522 ND1 HIS A 35 -14.982 23.122 -10.815 1.00 0.00 N ATOM 523 CD2 HIS A 35 -14.469 22.047 -12.645 1.00 0.00 C ATOM 524 CE1 HIS A 35 -15.463 23.822 -11.827 1.00 0.00 C ATOM 525 NE2 HIS A 35 -15.164 23.192 -12.949 1.00 0.00 N ATOM 0 H HIS A 35 -12.138 19.202 -9.295 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.518 20.221 -12.038 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.386 20.157 -10.242 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.498 21.437 -9.439 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.088 21.323 -13.350 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -16.008 24.751 -11.750 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.409 23.505 -13.888 1.00 0.00 H new ATOM 534 N SER A 36 -11.115 22.310 -11.833 1.00 0.00 N ATOM 535 CA SER A 36 -10.084 23.342 -11.810 1.00 0.00 C ATOM 536 C SER A 36 -10.272 24.271 -10.615 1.00 0.00 C ATOM 537 O SER A 36 -9.356 24.465 -9.816 1.00 0.00 O ATOM 538 CB SER A 36 -10.114 24.150 -13.109 1.00 0.00 C ATOM 539 OG SER A 36 -9.728 23.353 -14.215 1.00 0.00 O ATOM 0 H SER A 36 -11.686 22.302 -12.678 1.00 0.00 H new ATOM 0 HA SER A 36 -9.115 22.852 -11.717 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.117 24.543 -13.273 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.446 25.007 -13.023 1.00 0.00 H new ATOM 0 HG SER A 36 -9.757 23.892 -15.033 1.00 0.00 H new ATOM 545 N SER A 37 -11.467 24.843 -10.499 1.00 0.00 N ATOM 546 CA SER A 37 -11.775 25.755 -9.404 1.00 0.00 C ATOM 547 C SER A 37 -11.164 25.260 -8.097 1.00 0.00 C ATOM 548 O SER A 37 -10.551 26.026 -7.355 1.00 0.00 O ATOM 549 CB SER A 37 -13.289 25.905 -9.249 1.00 0.00 C ATOM 550 OG SER A 37 -13.608 26.765 -8.169 1.00 0.00 O ATOM 0 H SER A 37 -12.237 24.691 -11.150 1.00 0.00 H new ATOM 0 HA SER A 37 -11.343 26.728 -9.640 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.715 26.301 -10.171 1.00 0.00 H new ATOM 0 HB3 SER A 37 -13.740 24.926 -9.084 1.00 0.00 H new ATOM 0 HG SER A 37 -14.522 27.101 -8.277 1.00 0.00 H new ATOM 556 N GLY A 38 -11.337 23.971 -7.821 1.00 0.00 N ATOM 557 CA GLY A 38 -10.799 23.394 -6.603 1.00 0.00 C ATOM 558 C GLY A 38 -11.811 23.371 -5.475 1.00 0.00 C ATOM 559 O GLY A 38 -11.477 23.658 -4.326 1.00 0.00 O ATOM 0 H GLY A 38 -11.840 23.316 -8.419 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.462 22.377 -6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.924 23.964 -6.290 1.00 0.00 H new ATOM 563 N MET A 39 -13.053 23.029 -5.803 1.00 0.00 N ATOM 564 CA MET A 39 -14.117 22.970 -4.808 1.00 0.00 C ATOM 565 C MET A 39 -14.767 21.589 -4.788 1.00 0.00 C ATOM 566 O MET A 39 -14.830 20.937 -3.746 1.00 0.00 O ATOM 567 CB MET A 39 -15.173 24.039 -5.096 1.00 0.00 C ATOM 568 CG MET A 39 -14.771 25.430 -4.634 1.00 0.00 C ATOM 569 SD MET A 39 -16.190 26.506 -4.353 1.00 0.00 S ATOM 570 CE MET A 39 -15.927 27.749 -5.616 1.00 0.00 C ATOM 0 H MET A 39 -13.347 22.789 -6.750 1.00 0.00 H new ATOM 0 HA MET A 39 -13.676 23.159 -3.829 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.370 24.064 -6.168 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.106 23.758 -4.607 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.193 25.350 -3.713 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.119 25.883 -5.381 1.00 0.00 H new ATOM 0 HE1 MET A 39 -16.726 28.489 -5.570 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.968 28.240 -5.449 1.00 0.00 H new ATOM 0 HE3 MET A 39 -15.927 27.276 -6.598 1.00 0.00 H new ATOM 580 N THR A 40 -15.248 21.150 -5.947 1.00 0.00 N ATOM 581 CA THR A 40 -15.894 19.848 -6.061 1.00 0.00 C ATOM 582 C THR A 40 -15.217 18.990 -7.124 1.00 0.00 C ATOM 583 O THR A 40 -14.379 19.474 -7.885 1.00 0.00 O ATOM 584 CB THR A 40 -17.388 19.991 -6.409 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.536 20.629 -7.682 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.116 20.797 -5.344 1.00 0.00 C ATOM 0 H THR A 40 -15.202 21.677 -6.819 1.00 0.00 H new ATOM 0 HA THR A 40 -15.799 19.362 -5.090 1.00 0.00 H new ATOM 0 HB THR A 40 -17.826 18.994 -6.451 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.398 20.378 -8.076 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.169 20.885 -5.611 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.026 20.293 -4.382 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.675 21.791 -5.275 1.00 0.00 H new ATOM 594 N ALA A 41 -15.586 17.714 -7.171 1.00 0.00 N ATOM 595 CA ALA A 41 -15.015 16.790 -8.143 1.00 0.00 C ATOM 596 C ALA A 41 -15.991 15.663 -8.467 1.00 0.00 C ATOM 597 O ALA A 41 -16.887 15.359 -7.680 1.00 0.00 O ATOM 598 CB ALA A 41 -13.703 16.221 -7.623 1.00 0.00 C ATOM 0 H ALA A 41 -16.277 17.297 -6.548 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.820 17.343 -9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.288 15.533 -8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.998 17.034 -7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.882 15.689 -6.689 1.00 0.00 H new ATOM 604 N VAL A 42 -15.811 15.047 -9.631 1.00 0.00 N ATOM 605 CA VAL A 42 -16.675 13.954 -10.059 1.00 0.00 C ATOM 606 C VAL A 42 -16.126 12.608 -9.600 1.00 0.00 C ATOM 607 O VAL A 42 -15.083 12.156 -10.075 1.00 0.00 O ATOM 608 CB VAL A 42 -16.839 13.934 -11.590 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.759 12.800 -12.014 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.364 15.273 -12.086 1.00 0.00 C ATOM 0 H VAL A 42 -15.074 15.287 -10.294 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.649 14.122 -9.599 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.862 13.763 -12.041 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.863 12.802 -13.099 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.336 11.849 -11.692 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.739 12.935 -11.556 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.474 15.242 -13.170 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.332 15.476 -11.629 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.662 16.062 -11.815 1.00 0.00 H new ATOM 620 N VAL A 43 -16.834 11.970 -8.674 1.00 0.00 N ATOM 621 CA VAL A 43 -16.419 10.674 -8.151 1.00 0.00 C ATOM 622 C VAL A 43 -17.411 9.582 -8.538 1.00 0.00 C ATOM 623 O VAL A 43 -18.623 9.759 -8.419 1.00 0.00 O ATOM 624 CB VAL A 43 -16.279 10.705 -6.618 1.00 0.00 C ATOM 625 CG1 VAL A 43 -15.230 11.723 -6.198 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.620 11.011 -5.967 1.00 0.00 C ATOM 0 H VAL A 43 -17.699 12.330 -8.270 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.447 10.452 -8.592 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.952 9.721 -6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.145 11.731 -5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.268 11.456 -6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.524 12.713 -6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.503 11.029 -4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.978 11.982 -6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.342 10.241 -6.241 1.00 0.00 H new ATOM 636 N LYS A 44 -16.887 8.452 -9.001 1.00 0.00 N ATOM 637 CA LYS A 44 -17.725 7.329 -9.405 1.00 0.00 C ATOM 638 C LYS A 44 -17.824 6.295 -8.287 1.00 0.00 C ATOM 639 O LYS A 44 -16.810 5.825 -7.772 1.00 0.00 O ATOM 640 CB LYS A 44 -17.164 6.676 -10.670 1.00 0.00 C ATOM 641 CG LYS A 44 -18.177 5.824 -11.415 1.00 0.00 C ATOM 642 CD LYS A 44 -17.530 5.059 -12.557 1.00 0.00 C ATOM 643 CE LYS A 44 -18.335 3.823 -12.927 1.00 0.00 C ATOM 644 NZ LYS A 44 -17.573 2.912 -13.825 1.00 0.00 N ATOM 0 H LYS A 44 -15.885 8.290 -9.106 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.725 7.710 -9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.795 7.455 -11.338 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.309 6.056 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.642 5.122 -10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.971 6.460 -11.806 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.440 5.710 -13.427 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.520 4.765 -12.273 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.615 3.288 -12.020 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.260 4.126 -13.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.156 2.082 -14.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.327 3.415 -14.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.702 2.602 -13.348 1.00 0.00 H new ATOM 658 N PHE A 45 -19.052 5.945 -7.919 1.00 0.00 N ATOM 659 CA PHE A 45 -19.283 4.966 -6.863 1.00 0.00 C ATOM 660 C PHE A 45 -18.954 3.556 -7.347 1.00 0.00 C ATOM 661 O PHE A 45 -18.820 3.314 -8.547 1.00 0.00 O ATOM 662 CB PHE A 45 -20.736 5.028 -6.390 1.00 0.00 C ATOM 663 CG PHE A 45 -21.044 6.241 -5.559 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.552 6.357 -4.269 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.828 7.264 -6.068 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.833 7.473 -3.503 1.00 0.00 C ATOM 667 CE2 PHE A 45 -22.112 8.382 -5.306 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.615 8.486 -4.022 1.00 0.00 C ATOM 0 H PHE A 45 -19.902 6.324 -8.336 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.625 5.208 -6.028 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.394 5.016 -7.259 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -20.959 4.133 -5.809 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -19.942 5.567 -3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -22.221 7.187 -7.071 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.441 7.553 -2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.722 9.174 -5.715 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.837 9.358 -3.425 1.00 0.00 H new ATOM 678 N THR A 46 -18.823 2.629 -6.403 1.00 0.00 N ATOM 679 CA THR A 46 -18.508 1.244 -6.731 1.00 0.00 C ATOM 680 C THR A 46 -19.723 0.344 -6.542 1.00 0.00 C ATOM 681 O THR A 46 -19.921 -0.614 -7.290 1.00 0.00 O ATOM 682 CB THR A 46 -17.349 0.711 -5.867 1.00 0.00 C ATOM 683 OG1 THR A 46 -16.496 1.792 -5.472 1.00 0.00 O ATOM 684 CG2 THR A 46 -16.540 -0.328 -6.627 1.00 0.00 C ATOM 0 H THR A 46 -18.930 2.812 -5.405 1.00 0.00 H new ATOM 0 HA THR A 46 -18.207 1.228 -7.779 1.00 0.00 H new ATOM 0 HB THR A 46 -17.773 0.240 -4.980 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.763 1.446 -4.922 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.728 -0.689 -5.996 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.185 -1.163 -6.901 1.00 0.00 H new ATOM 0 HG23 THR A 46 -16.126 0.122 -7.529 1.00 0.00 H new ATOM 692 N ASP A 47 -20.535 0.657 -5.539 1.00 0.00 N ATOM 693 CA ASP A 47 -21.734 -0.123 -5.252 1.00 0.00 C ATOM 694 C ASP A 47 -22.549 -0.352 -6.521 1.00 0.00 C ATOM 695 O ASP A 47 -23.051 -1.451 -6.759 1.00 0.00 O ATOM 696 CB ASP A 47 -22.590 0.586 -4.202 1.00 0.00 C ATOM 697 CG ASP A 47 -21.879 0.720 -2.870 1.00 0.00 C ATOM 698 OD1 ASP A 47 -21.765 -0.296 -2.153 1.00 0.00 O ATOM 699 OD2 ASP A 47 -21.436 1.841 -2.545 1.00 0.00 O ATOM 0 H ASP A 47 -20.385 1.446 -4.910 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.423 -1.092 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.861 1.577 -4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.519 0.033 -4.061 1.00 0.00 H new ATOM 704 N TYR A 48 -22.677 0.692 -7.332 1.00 0.00 N ATOM 705 CA TYR A 48 -23.434 0.606 -8.575 1.00 0.00 C ATOM 706 C TYR A 48 -22.558 0.960 -9.773 1.00 0.00 C ATOM 707 O TYR A 48 -22.510 0.227 -10.760 1.00 0.00 O ATOM 708 CB TYR A 48 -24.647 1.537 -8.524 1.00 0.00 C ATOM 709 CG TYR A 48 -25.523 1.323 -7.310 1.00 0.00 C ATOM 710 CD1 TYR A 48 -25.206 1.904 -6.089 1.00 0.00 C ATOM 711 CD2 TYR A 48 -26.669 0.541 -7.385 1.00 0.00 C ATOM 712 CE1 TYR A 48 -26.003 1.711 -4.977 1.00 0.00 C ATOM 713 CE2 TYR A 48 -27.473 0.343 -6.279 1.00 0.00 C ATOM 714 CZ TYR A 48 -27.136 0.930 -5.077 1.00 0.00 C ATOM 715 OH TYR A 48 -27.933 0.736 -3.973 1.00 0.00 O ATOM 0 H TYR A 48 -22.266 1.608 -7.151 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.777 -0.422 -8.690 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.302 2.571 -8.535 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.245 1.391 -9.424 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -24.321 2.517 -6.007 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -26.936 0.080 -8.324 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -25.741 2.169 -4.035 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -28.360 -0.268 -6.355 1.00 0.00 H new ATOM 0 HH TYR A 48 -28.691 0.163 -4.213 1.00 0.00 H new ATOM 725 N GLY A 49 -21.865 2.091 -9.677 1.00 0.00 N ATOM 726 CA GLY A 49 -20.999 2.524 -10.758 1.00 0.00 C ATOM 727 C GLY A 49 -21.480 3.806 -11.409 1.00 0.00 C ATOM 728 O GLY A 49 -21.367 3.974 -12.622 1.00 0.00 O ATOM 0 H GLY A 49 -21.888 2.715 -8.870 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.990 2.672 -10.374 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.942 1.738 -11.510 1.00 0.00 H new ATOM 732 N ASN A 50 -22.021 4.711 -10.600 1.00 0.00 N ATOM 733 CA ASN A 50 -22.523 5.984 -11.105 1.00 0.00 C ATOM 734 C ASN A 50 -21.653 7.142 -10.624 1.00 0.00 C ATOM 735 O ASN A 50 -20.844 6.986 -9.709 1.00 0.00 O ATOM 736 CB ASN A 50 -23.970 6.198 -10.657 1.00 0.00 C ATOM 737 CG ASN A 50 -24.316 7.667 -10.501 1.00 0.00 C ATOM 738 OD1 ASN A 50 -24.264 8.434 -11.462 1.00 0.00 O ATOM 739 ND2 ASN A 50 -24.670 8.065 -9.284 1.00 0.00 N ATOM 0 H ASN A 50 -22.123 4.587 -9.593 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.487 5.954 -12.194 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.643 5.744 -11.384 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.133 5.686 -9.708 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -24.913 9.042 -9.117 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -24.699 7.394 -8.516 1.00 0.00 H new ATOM 746 N TYR A 51 -21.827 8.302 -11.246 1.00 0.00 N ATOM 747 CA TYR A 51 -21.057 9.486 -10.883 1.00 0.00 C ATOM 748 C TYR A 51 -21.903 10.457 -10.065 1.00 0.00 C ATOM 749 O TYR A 51 -23.127 10.478 -10.181 1.00 0.00 O ATOM 750 CB TYR A 51 -20.532 10.184 -12.140 1.00 0.00 C ATOM 751 CG TYR A 51 -19.833 9.251 -13.103 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.495 8.919 -12.932 1.00 0.00 C ATOM 753 CD2 TYR A 51 -20.512 8.702 -14.184 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.853 8.068 -13.810 1.00 0.00 C ATOM 755 CE2 TYR A 51 -19.878 7.849 -15.066 1.00 0.00 C ATOM 756 CZ TYR A 51 -18.548 7.535 -14.876 1.00 0.00 C ATOM 757 OH TYR A 51 -17.912 6.686 -15.752 1.00 0.00 O ATOM 0 H TYR A 51 -22.494 8.448 -12.004 1.00 0.00 H new ATOM 0 HA TYR A 51 -20.212 9.166 -10.273 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.365 10.665 -12.653 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.840 10.973 -11.845 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.948 9.333 -12.098 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.553 8.946 -14.337 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.812 7.821 -13.663 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -20.421 7.430 -15.900 1.00 0.00 H new ATOM 0 HH TYR A 51 -18.542 6.399 -16.445 1.00 0.00 H new ATOM 767 N GLU A 52 -21.239 11.259 -9.238 1.00 0.00 N ATOM 768 CA GLU A 52 -21.929 12.232 -8.400 1.00 0.00 C ATOM 769 C GLU A 52 -20.984 13.353 -7.976 1.00 0.00 C ATOM 770 O GLU A 52 -19.862 13.100 -7.539 1.00 0.00 O ATOM 771 CB GLU A 52 -22.514 11.548 -7.163 1.00 0.00 C ATOM 772 CG GLU A 52 -23.874 10.914 -7.403 1.00 0.00 C ATOM 773 CD GLU A 52 -24.874 11.885 -7.999 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.720 13.105 -7.776 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.809 11.427 -8.688 1.00 0.00 O ATOM 0 H GLU A 52 -20.225 11.254 -9.131 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.740 12.666 -8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.820 10.780 -6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.601 12.280 -6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.760 10.060 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -24.263 10.531 -6.460 1.00 0.00 H new ATOM 782 N GLU A 53 -21.447 14.592 -8.111 1.00 0.00 N ATOM 783 CA GLU A 53 -20.643 15.751 -7.743 1.00 0.00 C ATOM 784 C GLU A 53 -20.593 15.920 -6.228 1.00 0.00 C ATOM 785 O GLU A 53 -21.559 16.368 -5.609 1.00 0.00 O ATOM 786 CB GLU A 53 -21.208 17.017 -8.390 1.00 0.00 C ATOM 787 CG GLU A 53 -20.422 18.274 -8.057 1.00 0.00 C ATOM 788 CD GLU A 53 -20.955 19.502 -8.769 1.00 0.00 C ATOM 789 OE1 GLU A 53 -22.168 19.776 -8.651 1.00 0.00 O ATOM 790 OE2 GLU A 53 -20.159 20.189 -9.443 1.00 0.00 O ATOM 0 H GLU A 53 -22.374 14.818 -8.472 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.628 15.587 -8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.225 16.885 -9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.241 17.149 -8.069 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.451 18.442 -6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.377 18.127 -8.328 1.00 0.00 H new ATOM 797 N VAL A 54 -19.460 15.558 -5.635 1.00 0.00 N ATOM 798 CA VAL A 54 -19.282 15.670 -4.192 1.00 0.00 C ATOM 799 C VAL A 54 -18.101 16.571 -3.852 1.00 0.00 C ATOM 800 O VAL A 54 -17.095 16.590 -4.563 1.00 0.00 O ATOM 801 CB VAL A 54 -19.064 14.289 -3.545 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.503 14.306 -2.088 1.00 0.00 C ATOM 803 CG2 VAL A 54 -19.808 13.214 -4.321 1.00 0.00 C ATOM 0 H VAL A 54 -18.651 15.184 -6.132 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.196 16.110 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 54 -17.999 14.057 -3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.341 13.322 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -18.921 15.048 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.561 14.560 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.643 12.245 -3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -20.874 13.439 -4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.441 13.186 -5.347 1.00 0.00 H new ATOM 813 N LEU A 55 -18.227 17.316 -2.759 1.00 0.00 N ATOM 814 CA LEU A 55 -17.169 18.220 -2.323 1.00 0.00 C ATOM 815 C LEU A 55 -15.948 17.440 -1.846 1.00 0.00 C ATOM 816 O LEU A 55 -16.076 16.422 -1.165 1.00 0.00 O ATOM 817 CB LEU A 55 -17.678 19.129 -1.202 1.00 0.00 C ATOM 818 CG LEU A 55 -18.349 20.429 -1.645 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.406 20.855 -0.638 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.314 21.529 -1.831 1.00 0.00 C ATOM 0 H LEU A 55 -19.052 17.312 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.875 18.833 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.388 18.564 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.838 19.380 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.839 20.253 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -19.873 21.782 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.164 20.077 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.940 21.012 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.811 22.446 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.795 21.703 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.594 21.226 -2.591 1.00 0.00 H new ATOM 832 N LEU A 56 -14.765 17.925 -2.206 1.00 0.00 N ATOM 833 CA LEU A 56 -13.520 17.274 -1.813 1.00 0.00 C ATOM 834 C LEU A 56 -13.429 17.145 -0.295 1.00 0.00 C ATOM 835 O LEU A 56 -12.761 16.250 0.222 1.00 0.00 O ATOM 836 CB LEU A 56 -12.321 18.063 -2.342 1.00 0.00 C ATOM 837 CG LEU A 56 -12.337 18.388 -3.836 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.376 19.525 -4.146 1.00 0.00 C ATOM 839 CD2 LEU A 56 -11.987 17.153 -4.654 1.00 0.00 C ATOM 0 H LEU A 56 -14.641 18.766 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.509 16.274 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.255 18.999 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.415 17.498 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.343 18.707 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.401 19.742 -5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.672 20.414 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.365 19.236 -3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.003 17.403 -5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.992 16.804 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.715 16.367 -4.455 1.00 0.00 H new ATOM 851 N SER A 57 -14.106 18.044 0.412 1.00 0.00 N ATOM 852 CA SER A 57 -14.100 18.031 1.870 1.00 0.00 C ATOM 853 C SER A 57 -14.994 16.918 2.407 1.00 0.00 C ATOM 854 O SER A 57 -14.911 16.551 3.579 1.00 0.00 O ATOM 855 CB SER A 57 -14.567 19.383 2.415 1.00 0.00 C ATOM 856 OG SER A 57 -14.690 19.349 3.826 1.00 0.00 O ATOM 0 H SER A 57 -14.665 18.790 -0.001 1.00 0.00 H new ATOM 0 HA SER A 57 -13.079 17.846 2.203 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.858 20.159 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.526 19.647 1.969 1.00 0.00 H new ATOM 0 HG SER A 57 -14.845 18.427 4.119 1.00 0.00 H new ATOM 862 N ASN A 58 -15.849 16.383 1.541 1.00 0.00 N ATOM 863 CA ASN A 58 -16.759 15.312 1.927 1.00 0.00 C ATOM 864 C ASN A 58 -16.257 13.963 1.421 1.00 0.00 C ATOM 865 O ASN A 58 -17.032 13.017 1.273 1.00 0.00 O ATOM 866 CB ASN A 58 -18.162 15.584 1.381 1.00 0.00 C ATOM 867 CG ASN A 58 -18.787 16.826 1.987 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.361 17.298 3.041 1.00 0.00 O ATOM 869 ND2 ASN A 58 -19.803 17.362 1.321 1.00 0.00 N ATOM 0 H ASN A 58 -15.930 16.674 0.567 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.800 15.279 3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.112 15.697 0.298 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.801 14.724 1.582 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.263 18.199 1.680 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.123 16.937 0.451 1.00 0.00 H new ATOM 876 N ILE A 59 -14.958 13.882 1.158 1.00 0.00 N ATOM 877 CA ILE A 59 -14.352 12.649 0.670 1.00 0.00 C ATOM 878 C ILE A 59 -13.321 12.115 1.658 1.00 0.00 C ATOM 879 O ILE A 59 -12.447 12.850 2.119 1.00 0.00 O ATOM 880 CB ILE A 59 -13.678 12.856 -0.698 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.541 13.754 -1.587 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.428 11.516 -1.374 1.00 0.00 C ATOM 883 CD1 ILE A 59 -14.019 13.887 -3.000 1.00 0.00 C ATOM 0 H ILE A 59 -14.304 14.656 1.275 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.157 11.923 0.562 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.718 13.347 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.554 13.354 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.604 14.745 -1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -12.951 11.679 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.777 10.908 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.377 11.000 -1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.680 14.537 -3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -13.017 14.316 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -13.983 12.904 -3.469 1.00 0.00 H new ATOM 895 N LYS A 60 -13.425 10.829 1.977 1.00 0.00 N ATOM 896 CA LYS A 60 -12.500 10.193 2.908 1.00 0.00 C ATOM 897 C LYS A 60 -11.518 9.292 2.167 1.00 0.00 C ATOM 898 O LYS A 60 -11.882 8.560 1.246 1.00 0.00 O ATOM 899 CB LYS A 60 -13.271 9.379 3.949 1.00 0.00 C ATOM 900 CG LYS A 60 -14.577 10.023 4.380 1.00 0.00 C ATOM 901 CD LYS A 60 -14.359 11.040 5.488 1.00 0.00 C ATOM 902 CE LYS A 60 -14.085 12.426 4.926 1.00 0.00 C ATOM 903 NZ LYS A 60 -13.251 13.244 5.850 1.00 0.00 N ATOM 0 H LYS A 60 -14.142 10.206 1.604 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.936 10.976 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.481 8.390 3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.640 9.236 4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.043 10.511 3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.268 9.253 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.239 11.074 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.521 10.727 6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.579 12.335 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.030 12.937 4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.086 14.182 5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.745 13.353 6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.339 12.770 6.006 1.00 0.00 H new ATOM 917 N PRO A 61 -10.242 9.342 2.578 1.00 0.00 N ATOM 918 CA PRO A 61 -9.181 8.534 1.967 1.00 0.00 C ATOM 919 C PRO A 61 -9.328 7.050 2.285 1.00 0.00 C ATOM 920 O PRO A 61 -9.413 6.660 3.450 1.00 0.00 O ATOM 921 CB PRO A 61 -7.903 9.092 2.598 1.00 0.00 C ATOM 922 CG PRO A 61 -8.343 9.672 3.898 1.00 0.00 C ATOM 923 CD PRO A 61 -9.736 10.191 3.669 1.00 0.00 C ATOM 0 HA PRO A 61 -9.197 8.595 0.879 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.160 8.308 2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.445 9.849 1.961 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.332 8.918 4.685 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.675 10.473 4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.350 10.102 4.565 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.731 11.244 3.389 1.00 0.00 H new ATOM 931 N VAL A 62 -9.356 6.226 1.243 1.00 0.00 N ATOM 932 CA VAL A 62 -9.490 4.784 1.411 1.00 0.00 C ATOM 933 C VAL A 62 -8.131 4.126 1.622 1.00 0.00 C ATOM 934 O VAL A 62 -7.172 4.421 0.910 1.00 0.00 O ATOM 935 CB VAL A 62 -10.177 4.138 0.193 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.193 2.623 0.330 1.00 0.00 C ATOM 937 CG2 VAL A 62 -11.589 4.681 0.029 1.00 0.00 C ATOM 0 H VAL A 62 -9.288 6.533 0.273 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.108 4.625 2.294 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.607 4.392 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.682 2.184 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.170 2.253 0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.738 2.345 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -12.060 4.214 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.171 4.458 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.549 5.760 -0.118 1.00 0.00 H new