USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 74 MET CE :methyl 174:sc= -4.21! (180deg=-3.77!) USER MOD Set 1.2: A 91 ASN : amide:sc= -4.04! C(o=-8.3!,f=-11!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.999 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.78! X(o=-0.78!,f=-1.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -98:sc= 0.105 USER MOD Single : A 31 GLN : amide:sc= -0.0799 K(o=-0.08,f=-0.65) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00239) USER MOD Single : A 59 TYR OH : rot 117:sc= -2.25! USER MOD Single : A 62 CYS SG : rot 109:sc= -0.327! USER MOD Single : A 64 TYR OH : rot 23:sc= -0.194 USER MOD Single : A 65 GLN : amide:sc= -5.45! C(o=-5.5!,f=-6!) USER MOD Single : A 67 GLN : amide:sc= -7.73! C(o=-7.7!,f=-8.1!) USER MOD Single : A 69 THR OG1 : rot -160:sc= -0.943 USER MOD Single : A 72 SER OG : rot -15:sc= 0.00382 USER MOD Single : A 76 ASN : amide:sc= -3.82! C(o=-3.8!,f=-3.9!) USER MOD Single : A 78 ASN : amide:sc= -7.47! C(o=-7.5!,f=-15!) USER MOD Single : A 94 SER OG : rot 86:sc= 0.34 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -6.07! C(o=-6.1!,f=-6.2!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N SER A 14 1.790 10.226 -7.129 1.00 0.00 N ATOM 90 CA SER A 14 1.780 11.514 -6.456 1.00 0.00 C ATOM 91 C SER A 14 2.683 12.500 -7.200 1.00 0.00 C ATOM 92 O SER A 14 2.401 13.696 -7.242 1.00 0.00 O ATOM 93 CB SER A 14 2.229 11.378 -5.000 1.00 0.00 C ATOM 94 OG SER A 14 1.325 12.014 -4.101 1.00 0.00 O ATOM 0 HA SER A 14 0.758 11.894 -6.459 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.312 10.322 -4.744 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.222 11.813 -4.885 1.00 0.00 H new ATOM 0 HG SER A 14 1.646 11.903 -3.182 1.00 0.00 H new ATOM 100 N LEU A 15 3.751 11.961 -7.769 1.00 0.00 N ATOM 101 CA LEU A 15 4.698 12.778 -8.510 1.00 0.00 C ATOM 102 C LEU A 15 4.044 13.259 -9.807 1.00 0.00 C ATOM 103 O LEU A 15 4.550 14.170 -10.461 1.00 0.00 O ATOM 104 CB LEU A 15 6.007 12.018 -8.727 1.00 0.00 C ATOM 105 CG LEU A 15 6.998 12.041 -7.561 1.00 0.00 C ATOM 106 CD1 LEU A 15 7.356 10.622 -7.116 1.00 0.00 C ATOM 107 CD2 LEU A 15 8.240 12.862 -7.913 1.00 0.00 C ATOM 0 H LEU A 15 3.982 10.968 -7.732 1.00 0.00 H new ATOM 0 HA LEU A 15 4.964 13.667 -7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.767 10.979 -8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.502 12.430 -9.606 1.00 0.00 H new ATOM 0 HG LEU A 15 6.517 12.531 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.062 10.668 -6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.453 10.102 -6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.809 10.083 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.928 12.862 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.732 12.423 -8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.946 13.886 -8.142 1.00 0.00 H new ATOM 119 N ARG A 16 2.929 12.626 -10.140 1.00 0.00 N ATOM 120 CA ARG A 16 2.200 12.979 -11.347 1.00 0.00 C ATOM 121 C ARG A 16 1.079 13.967 -11.021 1.00 0.00 C ATOM 122 O ARG A 16 1.126 15.124 -11.435 1.00 0.00 O ATOM 123 CB ARG A 16 1.600 11.737 -12.010 1.00 0.00 C ATOM 124 CG ARG A 16 2.645 11.010 -12.859 1.00 0.00 C ATOM 125 CD ARG A 16 2.414 9.498 -12.836 1.00 0.00 C ATOM 126 NE ARG A 16 1.202 9.159 -13.614 1.00 0.00 N ATOM 127 CZ ARG A 16 0.481 8.043 -13.436 1.00 0.00 C ATOM 128 NH1 ARG A 16 0.847 7.151 -12.505 1.00 0.00 N ATOM 129 NH2 ARG A 16 -0.604 7.819 -14.189 1.00 0.00 N ATOM 0 H ARG A 16 2.512 11.871 -9.595 1.00 0.00 H new ATOM 0 HA ARG A 16 2.905 13.441 -12.038 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.214 11.063 -11.245 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.755 12.026 -12.635 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.601 11.373 -13.886 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.644 11.235 -12.484 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.280 8.983 -13.253 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.304 9.154 -11.807 1.00 0.00 H new ATOM 0 HE ARG A 16 0.896 9.816 -14.331 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.674 7.322 -11.932 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.299 6.302 -12.369 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.882 8.498 -14.898 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.152 6.970 -14.053 1.00 0.00 H new ATOM 143 N SER A 17 0.096 13.474 -10.281 1.00 0.00 N ATOM 144 CA SER A 17 -1.035 14.300 -9.894 1.00 0.00 C ATOM 145 C SER A 17 -0.567 15.726 -9.601 1.00 0.00 C ATOM 146 O SER A 17 0.239 15.945 -8.697 1.00 0.00 O ATOM 147 CB SER A 17 -1.752 13.715 -8.675 1.00 0.00 C ATOM 148 OG SER A 17 -2.269 12.412 -8.934 1.00 0.00 O ATOM 0 H SER A 17 0.060 12.514 -9.940 1.00 0.00 H new ATOM 0 HA SER A 17 -1.742 14.321 -10.723 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.060 13.670 -7.834 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.567 14.377 -8.382 1.00 0.00 H new ATOM 0 HG SER A 17 -2.718 12.073 -8.132 1.00 0.00 H new ATOM 154 N VAL A 18 -1.091 16.660 -10.381 1.00 0.00 N ATOM 155 CA VAL A 18 -0.736 18.059 -10.216 1.00 0.00 C ATOM 156 C VAL A 18 -1.951 18.831 -9.696 1.00 0.00 C ATOM 157 O VAL A 18 -3.024 18.782 -10.295 1.00 0.00 O ATOM 158 CB VAL A 18 -0.190 18.619 -11.531 1.00 0.00 C ATOM 159 CG1 VAL A 18 1.334 18.490 -11.590 1.00 0.00 C ATOM 160 CG2 VAL A 18 -0.845 17.935 -12.732 1.00 0.00 C ATOM 0 H VAL A 18 -1.759 16.475 -11.129 1.00 0.00 H new ATOM 0 HA VAL A 18 0.058 18.167 -9.478 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.439 19.679 -11.573 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.697 18.895 -12.534 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.778 19.044 -10.763 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.613 17.439 -11.515 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.439 18.352 -13.654 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.641 16.865 -12.697 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.922 18.101 -12.702 1.00 0.00 H new ATOM 170 N PHE A 19 -1.741 19.525 -8.588 1.00 0.00 N ATOM 171 CA PHE A 19 -2.805 20.306 -7.981 1.00 0.00 C ATOM 172 C PHE A 19 -3.015 21.623 -8.731 1.00 0.00 C ATOM 173 O PHE A 19 -2.060 22.357 -8.982 1.00 0.00 O ATOM 174 CB PHE A 19 -2.372 20.613 -6.546 1.00 0.00 C ATOM 175 CG PHE A 19 -3.129 21.777 -5.903 1.00 0.00 C ATOM 176 CD1 PHE A 19 -2.775 23.059 -6.188 1.00 0.00 C ATOM 177 CD2 PHE A 19 -4.157 21.530 -5.047 1.00 0.00 C ATOM 178 CE1 PHE A 19 -3.478 24.139 -5.592 1.00 0.00 C ATOM 179 CE2 PHE A 19 -4.859 22.610 -4.450 1.00 0.00 C ATOM 180 CZ PHE A 19 -4.505 23.892 -4.735 1.00 0.00 C ATOM 0 H PHE A 19 -0.849 19.563 -8.094 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.741 19.748 -8.013 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.513 19.721 -5.936 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.306 20.839 -6.540 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.959 23.255 -6.868 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.439 20.512 -4.822 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.197 25.157 -5.819 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.674 22.414 -3.769 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.039 24.714 -4.281 1.00 0.00 H new ATOM 190 N VAL A 20 -4.270 21.883 -9.067 1.00 0.00 N ATOM 191 CA VAL A 20 -4.617 23.098 -9.783 1.00 0.00 C ATOM 192 C VAL A 20 -5.526 23.961 -8.904 1.00 0.00 C ATOM 193 O VAL A 20 -6.482 23.460 -8.315 1.00 0.00 O ATOM 194 CB VAL A 20 -5.247 22.749 -11.133 1.00 0.00 C ATOM 195 CG1 VAL A 20 -6.763 22.591 -11.006 1.00 0.00 C ATOM 196 CG2 VAL A 20 -4.891 23.796 -12.191 1.00 0.00 C ATOM 0 H VAL A 20 -5.059 21.272 -8.856 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.723 23.682 -9.999 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.837 21.792 -11.457 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.186 22.343 -11.980 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.988 21.792 -10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.197 23.525 -10.649 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.351 23.524 -13.141 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.259 24.772 -11.875 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.808 23.838 -12.311 1.00 0.00 H new ATOM 206 N GLY A 21 -5.195 25.242 -8.845 1.00 0.00 N ATOM 207 CA GLY A 21 -5.969 26.179 -8.048 1.00 0.00 C ATOM 208 C GLY A 21 -5.767 27.614 -8.539 1.00 0.00 C ATOM 209 O GLY A 21 -4.975 27.857 -9.448 1.00 0.00 O ATOM 0 H GLY A 21 -4.401 25.654 -9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.026 25.919 -8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.672 26.104 -7.002 1.00 0.00 H new ATOM 213 N ASN A 22 -6.497 28.527 -7.915 1.00 0.00 N ATOM 214 CA ASN A 22 -6.407 29.931 -8.277 1.00 0.00 C ATOM 215 C ASN A 22 -7.094 30.151 -9.626 1.00 0.00 C ATOM 216 O ASN A 22 -6.803 31.121 -10.324 1.00 0.00 O ATOM 217 CB ASN A 22 -4.949 30.374 -8.411 1.00 0.00 C ATOM 218 CG ASN A 22 -4.827 31.897 -8.326 1.00 0.00 C ATOM 219 OD1 ASN A 22 -4.686 32.476 -7.262 1.00 0.00 O ATOM 220 ND2 ASN A 22 -4.891 32.511 -9.504 1.00 0.00 N ATOM 0 H ASN A 22 -7.153 28.322 -7.161 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.889 30.513 -7.491 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.352 29.914 -7.624 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.546 30.026 -9.362 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.821 33.527 -9.554 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.010 31.966 -10.358 1.00 0.00 H new ATOM 227 N ILE A 23 -7.993 29.234 -9.952 1.00 0.00 N ATOM 228 CA ILE A 23 -8.724 29.315 -11.206 1.00 0.00 C ATOM 229 C ILE A 23 -10.130 29.854 -10.937 1.00 0.00 C ATOM 230 O ILE A 23 -10.752 29.504 -9.935 1.00 0.00 O ATOM 231 CB ILE A 23 -8.709 27.964 -11.923 1.00 0.00 C ATOM 232 CG1 ILE A 23 -7.427 27.191 -11.610 1.00 0.00 C ATOM 233 CG2 ILE A 23 -8.920 28.140 -13.428 1.00 0.00 C ATOM 234 CD1 ILE A 23 -7.510 25.755 -12.133 1.00 0.00 C ATOM 0 H ILE A 23 -8.232 28.431 -9.370 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.239 30.015 -11.886 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.542 27.369 -11.549 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.574 27.697 -12.061 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.258 27.180 -10.533 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.905 27.164 -13.914 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.882 28.620 -13.607 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.123 28.761 -13.837 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.586 25.228 -11.897 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.350 25.244 -11.662 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.654 25.769 -13.213 1.00 0.00 H new ATOM 246 N PRO A 24 -10.603 30.720 -11.873 1.00 0.00 N ATOM 247 CA PRO A 24 -11.925 31.310 -11.747 1.00 0.00 C ATOM 248 C PRO A 24 -13.015 30.292 -12.088 1.00 0.00 C ATOM 249 O PRO A 24 -12.763 29.088 -12.098 1.00 0.00 O ATOM 250 CB PRO A 24 -11.913 32.505 -12.687 1.00 0.00 C ATOM 251 CG PRO A 24 -10.758 32.269 -13.646 1.00 0.00 C ATOM 252 CD PRO A 24 -9.895 31.157 -13.072 1.00 0.00 C ATOM 0 HA PRO A 24 -12.150 31.624 -10.728 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.857 32.588 -13.225 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.778 33.435 -12.135 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.131 31.992 -14.632 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.173 33.180 -13.771 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.778 30.339 -13.783 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.894 31.516 -12.832 1.00 0.00 H new ATOM 260 N TYR A 25 -14.203 30.813 -12.358 1.00 0.00 N ATOM 261 CA TYR A 25 -15.332 29.964 -12.698 1.00 0.00 C ATOM 262 C TYR A 25 -15.495 29.850 -14.215 1.00 0.00 C ATOM 263 O TYR A 25 -16.332 29.089 -14.698 1.00 0.00 O ATOM 264 CB TYR A 25 -16.568 30.653 -12.115 1.00 0.00 C ATOM 265 CG TYR A 25 -16.725 30.473 -10.604 1.00 0.00 C ATOM 266 CD1 TYR A 25 -15.692 30.817 -9.756 1.00 0.00 C ATOM 267 CD2 TYR A 25 -17.901 29.967 -10.088 1.00 0.00 C ATOM 268 CE1 TYR A 25 -15.840 30.648 -8.334 1.00 0.00 C ATOM 269 CE2 TYR A 25 -18.049 29.798 -8.666 1.00 0.00 C ATOM 270 CZ TYR A 25 -17.011 30.147 -7.859 1.00 0.00 C ATOM 271 OH TYR A 25 -17.151 29.987 -6.515 1.00 0.00 O ATOM 0 H TYR A 25 -14.408 31.812 -12.348 1.00 0.00 H new ATOM 0 HA TYR A 25 -15.188 28.958 -12.303 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -16.518 31.718 -12.341 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -17.457 30.263 -12.611 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -14.772 31.213 -10.159 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -18.710 29.698 -10.751 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -15.039 30.913 -7.660 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -18.964 29.403 -8.249 1.00 0.00 H new ATOM 0 HH TYR A 25 -18.039 29.621 -6.320 1.00 0.00 H new ATOM 281 N GLU A 26 -14.681 30.618 -14.925 1.00 0.00 N ATOM 282 CA GLU A 26 -14.725 30.613 -16.377 1.00 0.00 C ATOM 283 C GLU A 26 -13.747 29.576 -16.934 1.00 0.00 C ATOM 284 O GLU A 26 -13.755 29.289 -18.130 1.00 0.00 O ATOM 285 CB GLU A 26 -14.428 32.004 -16.940 1.00 0.00 C ATOM 286 CG GLU A 26 -15.668 32.602 -17.607 1.00 0.00 C ATOM 287 CD GLU A 26 -15.680 34.127 -17.478 1.00 0.00 C ATOM 288 OE1 GLU A 26 -15.480 34.601 -16.338 1.00 0.00 O ATOM 289 OE2 GLU A 26 -15.888 34.783 -18.521 1.00 0.00 O ATOM 0 H GLU A 26 -13.987 31.248 -14.521 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.733 30.339 -16.689 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.090 32.660 -16.138 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.616 31.941 -17.664 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.689 32.323 -18.660 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.567 32.188 -17.150 1.00 0.00 H new ATOM 296 N ALA A 27 -12.927 29.044 -16.040 1.00 0.00 N ATOM 297 CA ALA A 27 -11.944 28.045 -16.426 1.00 0.00 C ATOM 298 C ALA A 27 -12.345 26.689 -15.843 1.00 0.00 C ATOM 299 O ALA A 27 -12.045 26.392 -14.688 1.00 0.00 O ATOM 300 CB ALA A 27 -10.555 28.490 -15.965 1.00 0.00 C ATOM 0 H ALA A 27 -12.923 29.286 -15.049 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.909 27.940 -17.510 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.818 27.741 -16.255 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.305 29.443 -16.431 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.550 28.603 -14.881 1.00 0.00 H new ATOM 306 N THR A 28 -13.018 25.901 -16.669 1.00 0.00 N ATOM 307 CA THR A 28 -13.463 24.583 -16.250 1.00 0.00 C ATOM 308 C THR A 28 -12.397 23.533 -16.571 1.00 0.00 C ATOM 309 O THR A 28 -11.393 23.838 -17.212 1.00 0.00 O ATOM 310 CB THR A 28 -14.811 24.304 -16.918 1.00 0.00 C ATOM 311 OG1 THR A 28 -14.612 24.691 -18.275 1.00 0.00 O ATOM 312 CG2 THR A 28 -15.915 25.240 -16.422 1.00 0.00 C ATOM 0 H THR A 28 -13.266 26.150 -17.627 1.00 0.00 H new ATOM 0 HA THR A 28 -13.604 24.538 -15.170 1.00 0.00 H new ATOM 0 HB THR A 28 -15.101 23.270 -16.732 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.965 25.595 -18.412 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.850 25.000 -16.928 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.041 25.116 -15.347 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.641 26.273 -16.638 1.00 0.00 H new ATOM 320 N GLU A 29 -12.653 22.317 -16.110 1.00 0.00 N ATOM 321 CA GLU A 29 -11.728 21.220 -16.341 1.00 0.00 C ATOM 322 C GLU A 29 -11.510 21.016 -17.841 1.00 0.00 C ATOM 323 O GLU A 29 -10.432 20.601 -18.264 1.00 0.00 O ATOM 324 CB GLU A 29 -12.227 19.934 -15.679 1.00 0.00 C ATOM 325 CG GLU A 29 -11.561 19.724 -14.317 1.00 0.00 C ATOM 326 CD GLU A 29 -11.647 18.259 -13.885 1.00 0.00 C ATOM 327 OE1 GLU A 29 -12.238 17.473 -14.658 1.00 0.00 O ATOM 328 OE2 GLU A 29 -11.121 17.957 -12.792 1.00 0.00 O ATOM 0 H GLU A 29 -13.487 22.068 -15.578 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.771 21.476 -15.887 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.309 19.981 -15.555 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.016 19.082 -16.326 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.516 20.031 -14.368 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.043 20.356 -13.571 1.00 0.00 H new ATOM 335 N GLU A 30 -12.550 21.316 -18.604 1.00 0.00 N ATOM 336 CA GLU A 30 -12.486 21.170 -20.048 1.00 0.00 C ATOM 337 C GLU A 30 -11.403 22.084 -20.626 1.00 0.00 C ATOM 338 O GLU A 30 -10.753 21.736 -21.611 1.00 0.00 O ATOM 339 CB GLU A 30 -13.845 21.457 -20.690 1.00 0.00 C ATOM 340 CG GLU A 30 -14.351 20.242 -21.469 1.00 0.00 C ATOM 341 CD GLU A 30 -14.927 19.185 -20.523 1.00 0.00 C ATOM 342 OE1 GLU A 30 -14.110 18.510 -19.861 1.00 0.00 O ATOM 343 OE2 GLU A 30 -16.172 19.077 -20.483 1.00 0.00 O ATOM 0 H GLU A 30 -13.442 21.660 -18.249 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.224 20.137 -20.278 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.567 21.725 -19.918 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.761 22.313 -21.359 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.116 20.554 -22.180 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.534 19.811 -22.048 1.00 0.00 H new ATOM 350 N GLN A 31 -11.243 23.235 -19.990 1.00 0.00 N ATOM 351 CA GLN A 31 -10.250 24.201 -20.428 1.00 0.00 C ATOM 352 C GLN A 31 -8.879 23.854 -19.847 1.00 0.00 C ATOM 353 O GLN A 31 -7.874 23.886 -20.555 1.00 0.00 O ATOM 354 CB GLN A 31 -10.664 25.624 -20.046 1.00 0.00 C ATOM 355 CG GLN A 31 -11.879 26.078 -20.857 1.00 0.00 C ATOM 356 CD GLN A 31 -11.652 27.471 -21.450 1.00 0.00 C ATOM 357 OE1 GLN A 31 -10.868 27.665 -22.364 1.00 0.00 O ATOM 358 NE2 GLN A 31 -12.381 28.426 -20.880 1.00 0.00 N ATOM 0 H GLN A 31 -11.785 23.521 -19.174 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.183 24.157 -21.515 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.896 25.666 -18.982 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.832 26.307 -20.217 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.073 25.365 -21.658 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.763 26.090 -20.219 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.019 28.195 -20.118 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.302 29.390 -21.204 1.00 0.00 H new ATOM 367 N LEU A 32 -8.881 23.529 -18.562 1.00 0.00 N ATOM 368 CA LEU A 32 -7.649 23.176 -17.877 1.00 0.00 C ATOM 369 C LEU A 32 -7.001 21.984 -18.585 1.00 0.00 C ATOM 370 O LEU A 32 -5.809 22.010 -18.888 1.00 0.00 O ATOM 371 CB LEU A 32 -7.912 22.939 -16.389 1.00 0.00 C ATOM 372 CG LEU A 32 -7.988 24.192 -15.514 1.00 0.00 C ATOM 373 CD1 LEU A 32 -8.850 25.270 -16.174 1.00 0.00 C ATOM 374 CD2 LEU A 32 -8.479 23.848 -14.106 1.00 0.00 C ATOM 0 H LEU A 32 -9.716 23.503 -17.977 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.937 24.000 -17.923 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.850 22.392 -16.289 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.124 22.295 -15.999 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.982 24.601 -15.414 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.888 26.150 -15.532 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.418 25.542 -17.137 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.859 24.887 -16.324 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.524 24.756 -13.504 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.472 23.403 -14.166 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.791 23.140 -13.644 1.00 0.00 H new ATOM 386 N LYS A 33 -7.815 20.966 -18.827 1.00 0.00 N ATOM 387 CA LYS A 33 -7.336 19.767 -19.493 1.00 0.00 C ATOM 388 C LYS A 33 -6.721 20.148 -20.841 1.00 0.00 C ATOM 389 O LYS A 33 -5.711 19.578 -21.250 1.00 0.00 O ATOM 390 CB LYS A 33 -8.456 18.730 -19.599 1.00 0.00 C ATOM 391 CG LYS A 33 -7.894 17.308 -19.533 1.00 0.00 C ATOM 392 CD LYS A 33 -8.876 16.362 -18.839 1.00 0.00 C ATOM 393 CE LYS A 33 -9.945 15.868 -19.816 1.00 0.00 C ATOM 394 NZ LYS A 33 -11.224 15.633 -19.110 1.00 0.00 N ATOM 0 H LYS A 33 -8.803 20.947 -18.574 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.549 19.294 -18.906 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.173 18.880 -18.791 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.997 18.868 -20.535 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.687 16.948 -20.541 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.946 17.312 -18.995 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.335 15.511 -18.425 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.351 16.875 -18.003 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.090 16.603 -20.608 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.612 14.947 -20.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.938 15.298 -19.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.085 14.915 -18.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.549 16.520 -18.675 1.00 0.00 H new ATOM 408 N ASP A 34 -7.356 21.111 -21.494 1.00 0.00 N ATOM 409 CA ASP A 34 -6.884 21.575 -22.787 1.00 0.00 C ATOM 410 C ASP A 34 -5.523 22.253 -22.616 1.00 0.00 C ATOM 411 O ASP A 34 -4.644 22.112 -23.464 1.00 0.00 O ATOM 412 CB ASP A 34 -7.849 22.597 -23.391 1.00 0.00 C ATOM 413 CG ASP A 34 -8.147 22.404 -24.879 1.00 0.00 C ATOM 414 OD1 ASP A 34 -7.166 22.302 -25.646 1.00 0.00 O ATOM 415 OD2 ASP A 34 -9.350 22.363 -25.216 1.00 0.00 O ATOM 0 H ASP A 34 -8.193 21.582 -21.151 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.812 20.712 -23.449 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.788 22.557 -22.840 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.436 23.595 -23.245 1.00 0.00 H new ATOM 420 N ILE A 35 -5.392 22.974 -21.512 1.00 0.00 N ATOM 421 CA ILE A 35 -4.154 23.674 -21.218 1.00 0.00 C ATOM 422 C ILE A 35 -3.053 22.653 -20.925 1.00 0.00 C ATOM 423 O ILE A 35 -1.950 22.753 -21.459 1.00 0.00 O ATOM 424 CB ILE A 35 -4.366 24.690 -20.094 1.00 0.00 C ATOM 425 CG1 ILE A 35 -5.528 25.631 -20.417 1.00 0.00 C ATOM 426 CG2 ILE A 35 -3.075 25.455 -19.795 1.00 0.00 C ATOM 427 CD1 ILE A 35 -6.315 25.984 -19.153 1.00 0.00 C ATOM 0 H ILE A 35 -6.123 23.088 -20.810 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.830 24.254 -22.082 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.635 24.146 -19.189 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.146 26.542 -20.878 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.191 25.160 -21.143 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.254 26.171 -18.992 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.299 24.753 -19.490 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.752 25.987 -20.690 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.135 26.654 -19.410 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.716 25.073 -18.708 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.655 26.476 -18.439 1.00 0.00 H new ATOM 439 N PHE A 36 -3.391 21.694 -20.075 1.00 0.00 N ATOM 440 CA PHE A 36 -2.445 20.655 -19.704 1.00 0.00 C ATOM 441 C PHE A 36 -2.148 19.735 -20.890 1.00 0.00 C ATOM 442 O PHE A 36 -1.068 19.152 -20.973 1.00 0.00 O ATOM 443 CB PHE A 36 -3.096 19.835 -18.588 1.00 0.00 C ATOM 444 CG PHE A 36 -3.025 20.494 -17.209 1.00 0.00 C ATOM 445 CD1 PHE A 36 -3.420 21.786 -17.052 1.00 0.00 C ATOM 446 CD2 PHE A 36 -2.566 19.788 -16.141 1.00 0.00 C ATOM 447 CE1 PHE A 36 -3.353 22.398 -15.772 1.00 0.00 C ATOM 448 CE2 PHE A 36 -2.500 20.400 -14.861 1.00 0.00 C ATOM 449 CZ PHE A 36 -2.895 21.692 -14.704 1.00 0.00 C ATOM 0 H PHE A 36 -4.307 21.615 -19.633 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.505 21.105 -19.383 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.141 19.660 -18.842 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.612 18.859 -18.538 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.784 22.346 -17.900 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.252 18.762 -16.266 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.666 23.424 -15.647 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.136 19.840 -14.012 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.845 22.157 -13.731 1.00 0.00 H new ATOM 459 N SER A 37 -3.126 19.633 -21.778 1.00 0.00 N ATOM 460 CA SER A 37 -2.982 18.794 -22.956 1.00 0.00 C ATOM 461 C SER A 37 -1.825 19.298 -23.821 1.00 0.00 C ATOM 462 O SER A 37 -1.140 18.509 -24.469 1.00 0.00 O ATOM 463 CB SER A 37 -4.278 18.761 -23.769 1.00 0.00 C ATOM 464 OG SER A 37 -4.062 19.117 -25.132 1.00 0.00 O ATOM 0 H SER A 37 -4.021 20.117 -21.706 1.00 0.00 H new ATOM 0 HA SER A 37 -2.764 17.778 -22.627 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.712 17.762 -23.719 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.002 19.445 -23.326 1.00 0.00 H new ATOM 0 HG SER A 37 -4.912 19.082 -25.618 1.00 0.00 H new ATOM 470 N GLU A 38 -1.644 20.611 -23.803 1.00 0.00 N ATOM 471 CA GLU A 38 -0.582 21.230 -24.577 1.00 0.00 C ATOM 472 C GLU A 38 0.785 20.843 -24.008 1.00 0.00 C ATOM 473 O GLU A 38 1.813 21.073 -24.642 1.00 0.00 O ATOM 474 CB GLU A 38 -0.748 22.750 -24.618 1.00 0.00 C ATOM 475 CG GLU A 38 -2.226 23.142 -24.569 1.00 0.00 C ATOM 476 CD GLU A 38 -2.530 24.263 -25.565 1.00 0.00 C ATOM 477 OE1 GLU A 38 -1.892 24.255 -26.640 1.00 0.00 O ATOM 478 OE2 GLU A 38 -3.393 25.102 -25.229 1.00 0.00 O ATOM 0 H GLU A 38 -2.215 21.263 -23.265 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.645 20.863 -25.601 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.221 23.200 -23.777 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.293 23.145 -25.527 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.844 22.273 -24.795 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.487 23.466 -23.561 1.00 0.00 H new ATOM 485 N VAL A 39 0.752 20.260 -22.819 1.00 0.00 N ATOM 486 CA VAL A 39 1.975 19.839 -22.157 1.00 0.00 C ATOM 487 C VAL A 39 2.118 18.321 -22.278 1.00 0.00 C ATOM 488 O VAL A 39 3.172 17.766 -21.970 1.00 0.00 O ATOM 489 CB VAL A 39 1.980 20.326 -20.707 1.00 0.00 C ATOM 490 CG1 VAL A 39 3.316 20.015 -20.029 1.00 0.00 C ATOM 491 CG2 VAL A 39 1.660 21.820 -20.629 1.00 0.00 C ATOM 0 H VAL A 39 -0.103 20.069 -22.297 1.00 0.00 H new ATOM 0 HA VAL A 39 2.844 20.287 -22.639 1.00 0.00 H new ATOM 0 HB VAL A 39 1.199 19.788 -20.170 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.293 20.372 -18.999 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.486 18.938 -20.037 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.122 20.513 -20.568 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.670 22.140 -19.587 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.408 22.382 -21.189 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.674 22.004 -21.056 1.00 0.00 H new ATOM 501 N GLY A 40 1.043 17.691 -22.728 1.00 0.00 N ATOM 502 CA GLY A 40 1.035 16.247 -22.894 1.00 0.00 C ATOM 503 C GLY A 40 -0.370 15.679 -22.684 1.00 0.00 C ATOM 504 O GLY A 40 -1.298 16.414 -22.351 1.00 0.00 O ATOM 0 H GLY A 40 0.171 18.154 -22.983 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.390 15.990 -23.892 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.725 15.792 -22.184 1.00 0.00 H new ATOM 508 N PRO A 41 -0.485 14.340 -22.893 1.00 0.00 N ATOM 509 CA PRO A 41 -1.761 13.664 -22.731 1.00 0.00 C ATOM 510 C PRO A 41 -2.108 13.498 -21.250 1.00 0.00 C ATOM 511 O PRO A 41 -1.384 12.834 -20.509 1.00 0.00 O ATOM 512 CB PRO A 41 -1.599 12.338 -23.455 1.00 0.00 C ATOM 513 CG PRO A 41 -0.101 12.120 -23.596 1.00 0.00 C ATOM 514 CD PRO A 41 0.593 13.437 -23.288 1.00 0.00 C ATOM 0 HA PRO A 41 -2.593 14.231 -23.148 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.060 11.527 -22.892 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.083 12.364 -24.431 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.237 11.341 -22.912 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.143 11.787 -24.605 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.326 13.321 -22.489 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.128 13.816 -24.159 1.00 0.00 H new ATOM 522 N VAL A 42 -3.217 14.111 -20.863 1.00 0.00 N ATOM 523 CA VAL A 42 -3.670 14.039 -19.484 1.00 0.00 C ATOM 524 C VAL A 42 -4.503 12.771 -19.291 1.00 0.00 C ATOM 525 O VAL A 42 -5.505 12.572 -19.977 1.00 0.00 O ATOM 526 CB VAL A 42 -4.428 15.316 -19.115 1.00 0.00 C ATOM 527 CG1 VAL A 42 -3.532 16.547 -19.257 1.00 0.00 C ATOM 528 CG2 VAL A 42 -5.698 15.461 -19.957 1.00 0.00 C ATOM 0 H VAL A 42 -3.815 14.660 -21.480 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.820 13.975 -18.805 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.726 15.239 -18.069 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.096 17.440 -18.989 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.671 16.449 -18.595 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.189 16.631 -20.288 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.219 16.376 -19.676 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.431 15.505 -21.013 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.350 14.605 -19.783 1.00 0.00 H new ATOM 538 N VAL A 43 -4.059 11.946 -18.354 1.00 0.00 N ATOM 539 CA VAL A 43 -4.752 10.703 -18.062 1.00 0.00 C ATOM 540 C VAL A 43 -6.155 11.016 -17.540 1.00 0.00 C ATOM 541 O VAL A 43 -7.147 10.748 -18.215 1.00 0.00 O ATOM 542 CB VAL A 43 -3.926 9.860 -17.088 1.00 0.00 C ATOM 543 CG1 VAL A 43 -4.819 8.897 -16.303 1.00 0.00 C ATOM 544 CG2 VAL A 43 -2.816 9.105 -17.821 1.00 0.00 C ATOM 0 H VAL A 43 -3.228 12.114 -17.787 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.868 10.109 -18.968 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.455 10.537 -16.375 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.207 8.310 -15.618 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.556 9.465 -15.735 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.331 8.229 -16.996 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.244 8.514 -17.106 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.257 8.444 -18.567 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.155 9.818 -18.313 1.00 0.00 H new ATOM 554 N SER A 44 -6.194 11.581 -16.341 1.00 0.00 N ATOM 555 CA SER A 44 -7.459 11.934 -15.721 1.00 0.00 C ATOM 556 C SER A 44 -7.367 13.329 -15.101 1.00 0.00 C ATOM 557 O SER A 44 -6.274 13.873 -14.946 1.00 0.00 O ATOM 558 CB SER A 44 -7.858 10.906 -14.659 1.00 0.00 C ATOM 559 OG SER A 44 -8.663 9.864 -15.201 1.00 0.00 O ATOM 0 H SER A 44 -5.369 11.803 -15.783 1.00 0.00 H new ATOM 0 HA SER A 44 -8.229 11.937 -16.493 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.960 10.477 -14.215 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.403 11.405 -13.858 1.00 0.00 H new ATOM 0 HG SER A 44 -8.895 9.228 -14.493 1.00 0.00 H new ATOM 565 N PHE A 45 -8.528 13.870 -14.762 1.00 0.00 N ATOM 566 CA PHE A 45 -8.591 15.192 -14.162 1.00 0.00 C ATOM 567 C PHE A 45 -9.935 15.413 -13.465 1.00 0.00 C ATOM 568 O PHE A 45 -10.974 15.483 -14.119 1.00 0.00 O ATOM 569 CB PHE A 45 -8.447 16.206 -15.298 1.00 0.00 C ATOM 570 CG PHE A 45 -7.970 17.586 -14.843 1.00 0.00 C ATOM 571 CD1 PHE A 45 -8.119 17.963 -13.545 1.00 0.00 C ATOM 572 CD2 PHE A 45 -7.397 18.437 -15.736 1.00 0.00 C ATOM 573 CE1 PHE A 45 -7.676 19.245 -13.122 1.00 0.00 C ATOM 574 CE2 PHE A 45 -6.955 19.718 -15.314 1.00 0.00 C ATOM 575 CZ PHE A 45 -7.104 20.095 -14.016 1.00 0.00 C ATOM 0 H PHE A 45 -9.433 13.417 -14.891 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.803 15.301 -13.417 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.745 15.815 -16.034 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -9.409 16.313 -15.800 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.574 17.288 -12.836 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.278 18.138 -16.767 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.794 19.544 -12.091 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.500 20.393 -16.024 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.768 21.070 -13.695 1.00 0.00 H new ATOM 585 N ARG A 46 -9.871 15.518 -12.146 1.00 0.00 N ATOM 586 CA ARG A 46 -11.070 15.730 -11.352 1.00 0.00 C ATOM 587 C ARG A 46 -10.846 16.859 -10.344 1.00 0.00 C ATOM 588 O ARG A 46 -9.871 16.842 -9.594 1.00 0.00 O ATOM 589 CB ARG A 46 -11.467 14.457 -10.603 1.00 0.00 C ATOM 590 CG ARG A 46 -12.988 14.290 -10.572 1.00 0.00 C ATOM 591 CD ARG A 46 -13.376 12.812 -10.507 1.00 0.00 C ATOM 592 NE ARG A 46 -13.985 12.506 -9.194 1.00 0.00 N ATOM 593 CZ ARG A 46 -15.267 12.747 -8.886 1.00 0.00 C ATOM 594 NH1 ARG A 46 -16.082 13.300 -9.795 1.00 0.00 N ATOM 595 NH2 ARG A 46 -15.733 12.437 -7.669 1.00 0.00 N ATOM 0 H ARG A 46 -9.007 15.460 -11.607 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.876 16.002 -12.034 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.012 13.591 -11.084 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.081 14.495 -9.584 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.398 14.815 -9.709 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.426 14.746 -11.460 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.078 12.576 -11.307 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.495 12.189 -10.663 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.392 12.085 -8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.727 13.537 -10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.058 13.483 -9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.112 12.018 -6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.709 12.620 -7.435 1.00 0.00 H new ATOM 609 N LEU A 47 -11.766 17.812 -10.358 1.00 0.00 N ATOM 610 CA LEU A 47 -11.681 18.947 -9.454 1.00 0.00 C ATOM 611 C LEU A 47 -12.767 18.822 -8.383 1.00 0.00 C ATOM 612 O LEU A 47 -13.568 17.889 -8.411 1.00 0.00 O ATOM 613 CB LEU A 47 -11.737 20.261 -10.236 1.00 0.00 C ATOM 614 CG LEU A 47 -13.021 20.517 -11.027 1.00 0.00 C ATOM 615 CD1 LEU A 47 -14.248 20.456 -10.115 1.00 0.00 C ATOM 616 CD2 LEU A 47 -12.940 21.839 -11.791 1.00 0.00 C ATOM 0 H LEU A 47 -12.574 17.822 -10.981 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.721 18.952 -8.937 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.595 21.084 -9.535 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.896 20.284 -10.929 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.130 19.724 -11.767 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -15.147 20.641 -10.702 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -14.311 19.469 -9.656 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -14.161 21.214 -9.336 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.866 21.997 -12.345 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.795 22.658 -11.087 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -12.102 21.806 -12.487 1.00 0.00 H new ATOM 628 N VAL A 48 -12.759 19.776 -7.464 1.00 0.00 N ATOM 629 CA VAL A 48 -13.733 19.785 -6.386 1.00 0.00 C ATOM 630 C VAL A 48 -14.981 20.546 -6.838 1.00 0.00 C ATOM 631 O VAL A 48 -14.900 21.718 -7.204 1.00 0.00 O ATOM 632 CB VAL A 48 -13.105 20.367 -5.118 1.00 0.00 C ATOM 633 CG1 VAL A 48 -12.198 19.342 -4.435 1.00 0.00 C ATOM 634 CG2 VAL A 48 -12.341 21.656 -5.426 1.00 0.00 C ATOM 0 H VAL A 48 -12.093 20.548 -7.444 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.042 18.769 -6.143 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.912 20.613 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -11.764 19.781 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.782 18.463 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.400 19.050 -5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.905 22.049 -4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.548 21.446 -6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -13.025 22.393 -5.847 1.00 0.00 H new ATOM 644 N TYR A 49 -16.107 19.848 -6.799 1.00 0.00 N ATOM 645 CA TYR A 49 -17.370 20.444 -7.201 1.00 0.00 C ATOM 646 C TYR A 49 -18.379 20.417 -6.050 1.00 0.00 C ATOM 647 O TYR A 49 -18.735 19.348 -5.557 1.00 0.00 O ATOM 648 CB TYR A 49 -17.899 19.578 -8.347 1.00 0.00 C ATOM 649 CG TYR A 49 -17.727 20.207 -9.731 1.00 0.00 C ATOM 650 CD1 TYR A 49 -18.395 21.373 -10.047 1.00 0.00 C ATOM 651 CD2 TYR A 49 -16.906 19.608 -10.664 1.00 0.00 C ATOM 652 CE1 TYR A 49 -18.234 21.965 -11.349 1.00 0.00 C ATOM 653 CE2 TYR A 49 -16.744 20.200 -11.967 1.00 0.00 C ATOM 654 CZ TYR A 49 -17.416 21.349 -12.245 1.00 0.00 C ATOM 655 OH TYR A 49 -17.264 21.908 -13.476 1.00 0.00 O ATOM 0 H TYR A 49 -16.171 18.876 -6.495 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.228 21.484 -7.494 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.386 18.617 -8.329 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -18.957 19.377 -8.179 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -19.039 21.841 -9.317 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -16.385 18.695 -10.417 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -18.751 22.877 -11.609 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -16.104 19.742 -12.706 1.00 0.00 H new ATOM 0 HH TYR A 49 -16.651 21.361 -14.010 1.00 0.00 H new ATOM 665 N ASP A 50 -18.811 21.606 -5.657 1.00 0.00 N ATOM 666 CA ASP A 50 -19.771 21.733 -4.574 1.00 0.00 C ATOM 667 C ASP A 50 -21.161 21.347 -5.084 1.00 0.00 C ATOM 668 O ASP A 50 -21.760 22.074 -5.875 1.00 0.00 O ATOM 669 CB ASP A 50 -19.838 23.173 -4.062 1.00 0.00 C ATOM 670 CG ASP A 50 -19.139 23.416 -2.723 1.00 0.00 C ATOM 671 OD1 ASP A 50 -18.305 22.561 -2.354 1.00 0.00 O ATOM 672 OD2 ASP A 50 -19.455 24.452 -2.098 1.00 0.00 O ATOM 0 H ASP A 50 -18.514 22.490 -6.069 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.453 21.077 -3.763 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -19.395 23.830 -4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -20.885 23.460 -3.966 1.00 0.00 H new ATOM 677 N ARG A 51 -21.635 20.204 -4.608 1.00 0.00 N ATOM 678 CA ARG A 51 -22.944 19.714 -5.006 1.00 0.00 C ATOM 679 C ARG A 51 -24.045 20.559 -4.364 1.00 0.00 C ATOM 680 O ARG A 51 -25.139 20.681 -4.914 1.00 0.00 O ATOM 681 CB ARG A 51 -23.130 18.251 -4.599 1.00 0.00 C ATOM 682 CG ARG A 51 -22.322 17.322 -5.507 1.00 0.00 C ATOM 683 CD ARG A 51 -22.502 15.859 -5.094 1.00 0.00 C ATOM 684 NE ARG A 51 -21.197 15.162 -5.121 1.00 0.00 N ATOM 685 CZ ARG A 51 -20.138 15.519 -4.381 1.00 0.00 C ATOM 686 NH1 ARG A 51 -20.224 16.568 -3.551 1.00 0.00 N ATOM 687 NH2 ARG A 51 -18.994 14.828 -4.470 1.00 0.00 N ATOM 0 H ARG A 51 -21.136 19.604 -3.951 1.00 0.00 H new ATOM 0 HA ARG A 51 -23.011 19.789 -6.091 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -22.817 18.115 -3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -24.186 17.987 -4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -22.639 17.453 -6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -21.266 17.590 -5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -22.932 15.805 -4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -23.201 15.365 -5.769 1.00 0.00 H new ATOM 0 HE ARG A 51 -21.097 14.359 -5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -21.095 17.094 -3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -19.418 16.840 -2.988 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -18.928 14.030 -5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.189 15.100 -3.907 1.00 0.00 H new ATOM 701 N GLU A 52 -23.719 21.122 -3.210 1.00 0.00 N ATOM 702 CA GLU A 52 -24.667 21.952 -2.487 1.00 0.00 C ATOM 703 C GLU A 52 -24.901 23.265 -3.236 1.00 0.00 C ATOM 704 O GLU A 52 -25.995 23.826 -3.187 1.00 0.00 O ATOM 705 CB GLU A 52 -24.188 22.215 -1.058 1.00 0.00 C ATOM 706 CG GLU A 52 -25.343 22.094 -0.062 1.00 0.00 C ATOM 707 CD GLU A 52 -25.212 23.130 1.057 1.00 0.00 C ATOM 708 OE1 GLU A 52 -24.957 24.305 0.716 1.00 0.00 O ATOM 709 OE2 GLU A 52 -25.371 22.723 2.228 1.00 0.00 O ATOM 0 H GLU A 52 -22.811 21.019 -2.757 1.00 0.00 H new ATOM 0 HA GLU A 52 -25.615 21.417 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -23.403 21.506 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -23.751 23.212 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -26.292 22.232 -0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -25.356 21.091 0.365 1.00 0.00 H new ATOM 716 N THR A 53 -23.856 23.718 -3.914 1.00 0.00 N ATOM 717 CA THR A 53 -23.934 24.954 -4.672 1.00 0.00 C ATOM 718 C THR A 53 -23.918 24.661 -6.174 1.00 0.00 C ATOM 719 O THR A 53 -24.076 25.568 -6.989 1.00 0.00 O ATOM 720 CB THR A 53 -22.788 25.861 -4.219 1.00 0.00 C ATOM 721 OG1 THR A 53 -23.233 26.384 -2.970 1.00 0.00 O ATOM 722 CG2 THR A 53 -22.633 27.097 -5.106 1.00 0.00 C ATOM 0 H THR A 53 -22.950 23.250 -3.954 1.00 0.00 H new ATOM 0 HA THR A 53 -24.873 25.474 -4.483 1.00 0.00 H new ATOM 0 HB THR A 53 -21.856 25.296 -4.219 1.00 0.00 H new ATOM 0 HG1 THR A 53 -22.549 26.982 -2.603 1.00 0.00 H new ATOM 0 HG21 THR A 53 -21.806 27.706 -4.740 1.00 0.00 H new ATOM 0 HG22 THR A 53 -22.429 26.786 -6.131 1.00 0.00 H new ATOM 0 HG23 THR A 53 -23.553 27.681 -5.080 1.00 0.00 H new ATOM 730 N GLY A 54 -23.726 23.389 -6.494 1.00 0.00 N ATOM 731 CA GLY A 54 -23.688 22.965 -7.883 1.00 0.00 C ATOM 732 C GLY A 54 -22.623 23.739 -8.663 1.00 0.00 C ATOM 733 O GLY A 54 -22.615 23.721 -9.893 1.00 0.00 O ATOM 0 H GLY A 54 -23.595 22.639 -5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -23.478 21.897 -7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -24.665 23.121 -8.341 1.00 0.00 H new ATOM 737 N LYS A 55 -21.752 24.401 -7.917 1.00 0.00 N ATOM 738 CA LYS A 55 -20.686 25.180 -8.523 1.00 0.00 C ATOM 739 C LYS A 55 -19.334 24.617 -8.081 1.00 0.00 C ATOM 740 O LYS A 55 -19.192 24.148 -6.953 1.00 0.00 O ATOM 741 CB LYS A 55 -20.865 26.667 -8.212 1.00 0.00 C ATOM 742 CG LYS A 55 -22.210 27.178 -8.732 1.00 0.00 C ATOM 743 CD LYS A 55 -22.692 28.380 -7.917 1.00 0.00 C ATOM 744 CE LYS A 55 -23.026 29.562 -8.828 1.00 0.00 C ATOM 745 NZ LYS A 55 -24.471 29.579 -9.147 1.00 0.00 N ATOM 0 H LYS A 55 -21.763 24.414 -6.897 1.00 0.00 H new ATOM 0 HA LYS A 55 -20.725 25.099 -9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -20.803 26.827 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -20.055 27.237 -8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -22.115 27.460 -9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -22.950 26.380 -8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -23.573 28.102 -7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -21.922 28.673 -7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.744 30.495 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.445 29.495 -9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -24.680 30.388 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -24.730 28.696 -9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -25.020 29.665 -8.268 1.00 0.00 H new ATOM 759 N PRO A 56 -18.349 24.684 -9.016 1.00 0.00 N ATOM 760 CA PRO A 56 -17.013 24.187 -8.734 1.00 0.00 C ATOM 761 C PRO A 56 -16.254 25.147 -7.816 1.00 0.00 C ATOM 762 O PRO A 56 -16.319 26.363 -7.992 1.00 0.00 O ATOM 763 CB PRO A 56 -16.358 24.025 -10.096 1.00 0.00 C ATOM 764 CG PRO A 56 -17.178 24.871 -11.056 1.00 0.00 C ATOM 765 CD PRO A 56 -18.481 25.233 -10.363 1.00 0.00 C ATOM 0 HA PRO A 56 -17.021 23.239 -8.196 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.320 24.357 -10.072 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -16.352 22.980 -10.404 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -16.631 25.772 -11.334 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.375 24.321 -11.976 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -18.630 26.313 -10.338 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -19.338 24.805 -10.883 1.00 0.00 H new ATOM 773 N LYS A 57 -15.551 24.565 -6.856 1.00 0.00 N ATOM 774 CA LYS A 57 -14.780 25.353 -5.909 1.00 0.00 C ATOM 775 C LYS A 57 -13.876 26.321 -6.676 1.00 0.00 C ATOM 776 O LYS A 57 -13.934 27.531 -6.462 1.00 0.00 O ATOM 777 CB LYS A 57 -14.023 24.441 -4.942 1.00 0.00 C ATOM 778 CG LYS A 57 -14.979 23.479 -4.234 1.00 0.00 C ATOM 779 CD LYS A 57 -15.330 23.987 -2.834 1.00 0.00 C ATOM 780 CE LYS A 57 -14.847 23.011 -1.759 1.00 0.00 C ATOM 781 NZ LYS A 57 -13.648 23.545 -1.075 1.00 0.00 N ATOM 0 H LYS A 57 -15.499 23.556 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.442 25.957 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.268 23.874 -5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.496 25.045 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.889 23.366 -4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.521 22.492 -4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.875 24.965 -2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.409 24.120 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.641 22.839 -1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.615 22.047 -2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.323 22.863 -0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.892 23.703 -1.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.885 24.445 -0.612 1.00 0.00 H new ATOM 795 N GLY A 58 -13.061 25.752 -7.552 1.00 0.00 N ATOM 796 CA GLY A 58 -12.147 26.550 -8.351 1.00 0.00 C ATOM 797 C GLY A 58 -10.808 25.832 -8.532 1.00 0.00 C ATOM 798 O GLY A 58 -10.002 26.218 -9.377 1.00 0.00 O ATOM 0 H GLY A 58 -13.015 24.748 -7.726 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.591 26.751 -9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.985 27.514 -7.870 1.00 0.00 H new ATOM 802 N TYR A 59 -10.613 24.799 -7.726 1.00 0.00 N ATOM 803 CA TYR A 59 -9.386 24.024 -7.786 1.00 0.00 C ATOM 804 C TYR A 59 -9.686 22.537 -7.985 1.00 0.00 C ATOM 805 O TYR A 59 -10.792 22.080 -7.703 1.00 0.00 O ATOM 806 CB TYR A 59 -8.698 24.216 -6.433 1.00 0.00 C ATOM 807 CG TYR A 59 -9.187 23.258 -5.345 1.00 0.00 C ATOM 808 CD1 TYR A 59 -8.790 21.937 -5.359 1.00 0.00 C ATOM 809 CD2 TYR A 59 -10.025 23.716 -4.349 1.00 0.00 C ATOM 810 CE1 TYR A 59 -9.250 21.035 -4.335 1.00 0.00 C ATOM 811 CE2 TYR A 59 -10.486 22.815 -3.325 1.00 0.00 C ATOM 812 CZ TYR A 59 -10.075 21.519 -3.368 1.00 0.00 C ATOM 813 OH TYR A 59 -10.510 20.668 -2.400 1.00 0.00 O ATOM 0 H TYR A 59 -11.285 24.481 -7.028 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.766 24.352 -8.620 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.624 24.086 -6.562 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.857 25.241 -6.098 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.134 21.579 -6.138 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.335 24.750 -4.338 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.947 19.998 -4.335 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.143 23.160 -2.541 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.180 20.969 -1.528 1.00 0.00 H new ATOM 823 N GLY A 60 -8.681 21.823 -8.471 1.00 0.00 N ATOM 824 CA GLY A 60 -8.824 20.397 -8.711 1.00 0.00 C ATOM 825 C GLY A 60 -7.457 19.729 -8.873 1.00 0.00 C ATOM 826 O GLY A 60 -6.425 20.348 -8.619 1.00 0.00 O ATOM 0 H GLY A 60 -7.765 22.205 -8.705 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.362 19.937 -7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.421 20.234 -9.608 1.00 0.00 H new ATOM 830 N PHE A 61 -7.494 18.473 -9.294 1.00 0.00 N ATOM 831 CA PHE A 61 -6.271 17.714 -9.492 1.00 0.00 C ATOM 832 C PHE A 61 -6.282 17.000 -10.845 1.00 0.00 C ATOM 833 O PHE A 61 -7.299 16.436 -11.245 1.00 0.00 O ATOM 834 CB PHE A 61 -6.208 16.668 -8.377 1.00 0.00 C ATOM 835 CG PHE A 61 -6.193 17.261 -6.967 1.00 0.00 C ATOM 836 CD1 PHE A 61 -5.017 17.652 -6.406 1.00 0.00 C ATOM 837 CD2 PHE A 61 -7.356 17.398 -6.275 1.00 0.00 C ATOM 838 CE1 PHE A 61 -5.004 18.203 -5.097 1.00 0.00 C ATOM 839 CE2 PHE A 61 -7.342 17.949 -4.966 1.00 0.00 C ATOM 840 CZ PHE A 61 -6.166 18.339 -4.405 1.00 0.00 C ATOM 0 H PHE A 61 -8.352 17.962 -9.503 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.411 18.383 -9.471 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.065 16.001 -8.470 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.314 16.060 -8.514 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.094 17.543 -6.956 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.290 17.088 -6.721 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.071 18.514 -4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.265 18.058 -4.416 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.155 18.757 -3.409 1.00 0.00 H new ATOM 850 N CYS A 62 -5.138 17.048 -11.513 1.00 0.00 N ATOM 851 CA CYS A 62 -5.003 16.412 -12.813 1.00 0.00 C ATOM 852 C CYS A 62 -3.877 15.381 -12.729 1.00 0.00 C ATOM 853 O CYS A 62 -2.742 15.722 -12.399 1.00 0.00 O ATOM 854 CB CYS A 62 -4.757 17.438 -13.921 1.00 0.00 C ATOM 855 SG CYS A 62 -4.859 16.627 -15.558 1.00 0.00 S ATOM 0 H CYS A 62 -4.297 17.517 -11.178 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.934 15.910 -13.074 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.493 18.239 -13.856 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.776 17.896 -13.793 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.947 17.004 -16.162 1.00 0.00 H new ATOM 861 N GLU A 63 -4.229 14.140 -13.033 1.00 0.00 N ATOM 862 CA GLU A 63 -3.262 13.057 -12.996 1.00 0.00 C ATOM 863 C GLU A 63 -2.774 12.733 -14.409 1.00 0.00 C ATOM 864 O GLU A 63 -3.575 12.433 -15.293 1.00 0.00 O ATOM 865 CB GLU A 63 -3.852 11.817 -12.322 1.00 0.00 C ATOM 866 CG GLU A 63 -3.035 10.568 -12.659 1.00 0.00 C ATOM 867 CD GLU A 63 -3.581 9.341 -11.925 1.00 0.00 C ATOM 868 OE1 GLU A 63 -3.488 9.338 -10.678 1.00 0.00 O ATOM 869 OE2 GLU A 63 -4.079 8.435 -12.627 1.00 0.00 O ATOM 0 H GLU A 63 -5.171 13.861 -13.306 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.407 13.380 -12.402 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.873 11.961 -11.242 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.884 11.679 -12.646 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.058 10.393 -13.735 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.992 10.726 -12.384 1.00 0.00 H new ATOM 876 N TYR A 64 -1.461 12.804 -14.579 1.00 0.00 N ATOM 877 CA TYR A 64 -0.857 12.522 -15.870 1.00 0.00 C ATOM 878 C TYR A 64 -0.483 11.044 -15.988 1.00 0.00 C ATOM 879 O TYR A 64 -0.779 10.251 -15.096 1.00 0.00 O ATOM 880 CB TYR A 64 0.418 13.366 -15.932 1.00 0.00 C ATOM 881 CG TYR A 64 0.220 14.747 -16.559 1.00 0.00 C ATOM 882 CD1 TYR A 64 0.321 14.905 -17.926 1.00 0.00 C ATOM 883 CD2 TYR A 64 -0.059 15.835 -15.757 1.00 0.00 C ATOM 884 CE1 TYR A 64 0.135 16.206 -18.516 1.00 0.00 C ATOM 885 CE2 TYR A 64 -0.245 17.136 -16.347 1.00 0.00 C ATOM 886 CZ TYR A 64 -0.139 17.257 -17.698 1.00 0.00 C ATOM 887 OH TYR A 64 -0.315 18.485 -18.255 1.00 0.00 O ATOM 0 H TYR A 64 -0.799 13.053 -13.844 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.551 12.754 -16.678 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.809 13.490 -14.922 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.173 12.824 -16.502 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.539 14.054 -18.553 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.138 15.711 -14.687 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.212 16.344 -19.584 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.464 17.996 -15.731 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.568 18.384 -19.196 1.00 0.00 H new ATOM 897 N GLN A 65 0.164 10.717 -17.098 1.00 0.00 N ATOM 898 CA GLN A 65 0.582 9.348 -17.345 1.00 0.00 C ATOM 899 C GLN A 65 2.097 9.216 -17.173 1.00 0.00 C ATOM 900 O GLN A 65 2.618 8.109 -17.051 1.00 0.00 O ATOM 901 CB GLN A 65 0.146 8.883 -18.736 1.00 0.00 C ATOM 902 CG GLN A 65 -0.341 7.433 -18.702 1.00 0.00 C ATOM 903 CD GLN A 65 -1.594 7.254 -19.562 1.00 0.00 C ATOM 904 OE1 GLN A 65 -1.836 7.982 -20.510 1.00 0.00 O ATOM 905 NE2 GLN A 65 -2.374 6.248 -19.178 1.00 0.00 N ATOM 0 H GLN A 65 0.409 11.377 -17.836 1.00 0.00 H new ATOM 0 HA GLN A 65 0.095 8.703 -16.613 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.650 9.529 -19.106 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.980 8.974 -19.432 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.448 6.772 -19.061 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.557 7.142 -17.674 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.112 5.677 -18.374 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.235 6.047 -19.687 1.00 0.00 H new ATOM 914 N ASP A 66 2.762 10.362 -17.170 1.00 0.00 N ATOM 915 CA ASP A 66 4.206 10.389 -17.016 1.00 0.00 C ATOM 916 C ASP A 66 4.585 11.452 -15.982 1.00 0.00 C ATOM 917 O ASP A 66 4.073 12.570 -16.021 1.00 0.00 O ATOM 918 CB ASP A 66 4.895 10.746 -18.335 1.00 0.00 C ATOM 919 CG ASP A 66 4.071 10.461 -19.592 1.00 0.00 C ATOM 920 OD1 ASP A 66 2.963 11.032 -19.686 1.00 0.00 O ATOM 921 OD2 ASP A 66 4.567 9.678 -20.431 1.00 0.00 O ATOM 0 H ASP A 66 2.327 11.279 -17.272 1.00 0.00 H new ATOM 0 HA ASP A 66 4.529 9.398 -16.697 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.151 11.805 -18.319 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.832 10.193 -18.400 1.00 0.00 H new ATOM 926 N GLN A 67 5.478 11.066 -15.083 1.00 0.00 N ATOM 927 CA GLN A 67 5.931 11.972 -14.041 1.00 0.00 C ATOM 928 C GLN A 67 6.558 13.222 -14.661 1.00 0.00 C ATOM 929 O GLN A 67 6.257 14.342 -14.248 1.00 0.00 O ATOM 930 CB GLN A 67 6.914 11.275 -13.098 1.00 0.00 C ATOM 931 CG GLN A 67 6.255 10.961 -11.754 1.00 0.00 C ATOM 932 CD GLN A 67 7.289 10.473 -10.737 1.00 0.00 C ATOM 933 OE1 GLN A 67 8.300 11.108 -10.488 1.00 0.00 O ATOM 934 NE2 GLN A 67 6.979 9.312 -10.166 1.00 0.00 N ATOM 0 H GLN A 67 5.900 10.138 -15.054 1.00 0.00 H new ATOM 0 HA GLN A 67 5.067 12.277 -13.451 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.271 10.353 -13.556 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.785 11.911 -12.940 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.757 11.852 -11.372 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.487 10.200 -11.891 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.115 8.833 -10.421 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.605 8.901 -9.473 1.00 0.00 H new ATOM 943 N GLU A 68 7.418 12.990 -15.642 1.00 0.00 N ATOM 944 CA GLU A 68 8.089 14.084 -16.323 1.00 0.00 C ATOM 945 C GLU A 68 7.064 15.011 -16.978 1.00 0.00 C ATOM 946 O GLU A 68 7.246 16.228 -16.999 1.00 0.00 O ATOM 947 CB GLU A 68 9.089 13.557 -17.354 1.00 0.00 C ATOM 948 CG GLU A 68 9.704 14.704 -18.158 1.00 0.00 C ATOM 949 CD GLU A 68 10.695 15.501 -17.307 1.00 0.00 C ATOM 950 OE1 GLU A 68 11.719 14.900 -16.916 1.00 0.00 O ATOM 951 OE2 GLU A 68 10.406 16.693 -17.067 1.00 0.00 O ATOM 0 H GLU A 68 7.665 12.060 -15.981 1.00 0.00 H new ATOM 0 HA GLU A 68 8.648 14.658 -15.583 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.877 12.999 -16.849 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.589 12.862 -18.029 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.212 14.306 -19.036 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.915 15.364 -18.518 1.00 0.00 H new ATOM 958 N THR A 69 6.008 14.401 -17.496 1.00 0.00 N ATOM 959 CA THR A 69 4.954 15.157 -18.151 1.00 0.00 C ATOM 960 C THR A 69 4.220 16.036 -17.136 1.00 0.00 C ATOM 961 O THR A 69 3.912 17.193 -17.420 1.00 0.00 O ATOM 962 CB THR A 69 4.038 14.165 -18.870 1.00 0.00 C ATOM 963 OG1 THR A 69 4.905 13.482 -19.771 1.00 0.00 O ATOM 964 CG2 THR A 69 3.024 14.859 -19.782 1.00 0.00 C ATOM 0 H THR A 69 5.860 13.392 -17.475 1.00 0.00 H new ATOM 0 HA THR A 69 5.361 15.843 -18.894 1.00 0.00 H new ATOM 0 HB THR A 69 3.509 13.560 -18.133 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.375 13.064 -20.482 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.399 14.110 -20.268 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.397 15.525 -19.189 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.552 15.437 -20.540 1.00 0.00 H new ATOM 972 N ALA A 70 3.961 15.454 -15.975 1.00 0.00 N ATOM 973 CA ALA A 70 3.269 16.170 -14.916 1.00 0.00 C ATOM 974 C ALA A 70 4.171 17.288 -14.388 1.00 0.00 C ATOM 975 O ALA A 70 3.701 18.389 -14.108 1.00 0.00 O ATOM 976 CB ALA A 70 2.856 15.187 -13.819 1.00 0.00 C ATOM 0 H ALA A 70 4.218 14.494 -15.744 1.00 0.00 H new ATOM 0 HA ALA A 70 2.359 16.633 -15.298 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.337 15.725 -13.025 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.193 14.431 -14.239 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.744 14.704 -13.410 1.00 0.00 H new ATOM 982 N LEU A 71 5.450 16.965 -14.269 1.00 0.00 N ATOM 983 CA LEU A 71 6.422 17.928 -13.780 1.00 0.00 C ATOM 984 C LEU A 71 6.613 19.029 -14.825 1.00 0.00 C ATOM 985 O LEU A 71 6.720 20.205 -14.481 1.00 0.00 O ATOM 986 CB LEU A 71 7.721 17.224 -13.384 1.00 0.00 C ATOM 987 CG LEU A 71 7.898 16.932 -11.892 1.00 0.00 C ATOM 988 CD1 LEU A 71 8.947 15.842 -11.668 1.00 0.00 C ATOM 989 CD2 LEU A 71 8.226 18.211 -11.119 1.00 0.00 C ATOM 0 H LEU A 71 5.836 16.050 -14.503 1.00 0.00 H new ATOM 0 HA LEU A 71 6.058 18.409 -12.872 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.780 16.281 -13.928 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.559 17.837 -13.716 1.00 0.00 H new ATOM 0 HG LEU A 71 6.953 16.554 -11.503 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.054 15.654 -10.600 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.633 14.926 -12.168 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.904 16.168 -12.076 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.347 17.976 -10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.151 18.641 -11.503 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.414 18.928 -11.241 1.00 0.00 H new ATOM 1001 N SER A 72 6.651 18.609 -16.081 1.00 0.00 N ATOM 1002 CA SER A 72 6.827 19.545 -17.179 1.00 0.00 C ATOM 1003 C SER A 72 5.631 20.496 -17.253 1.00 0.00 C ATOM 1004 O SER A 72 5.794 21.683 -17.527 1.00 0.00 O ATOM 1005 CB SER A 72 7.003 18.808 -18.508 1.00 0.00 C ATOM 1006 OG SER A 72 5.831 18.085 -18.877 1.00 0.00 O ATOM 0 H SER A 72 6.563 17.633 -16.363 1.00 0.00 H new ATOM 0 HA SER A 72 7.732 20.124 -16.993 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.248 19.526 -19.291 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.845 18.120 -18.432 1.00 0.00 H new ATOM 0 HG SER A 72 5.239 18.004 -18.101 1.00 0.00 H new ATOM 1012 N ALA A 73 4.455 19.937 -17.003 1.00 0.00 N ATOM 1013 CA ALA A 73 3.232 20.721 -17.039 1.00 0.00 C ATOM 1014 C ALA A 73 3.247 21.733 -15.891 1.00 0.00 C ATOM 1015 O ALA A 73 2.805 22.869 -16.055 1.00 0.00 O ATOM 1016 CB ALA A 73 2.024 19.785 -16.975 1.00 0.00 C ATOM 0 H ALA A 73 4.324 18.952 -16.775 1.00 0.00 H new ATOM 0 HA ALA A 73 3.162 21.281 -17.972 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.106 20.373 -17.002 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.045 19.105 -17.827 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.059 19.209 -16.050 1.00 0.00 H new ATOM 1022 N MET A 74 3.760 21.284 -14.755 1.00 0.00 N ATOM 1023 CA MET A 74 3.838 22.136 -13.581 1.00 0.00 C ATOM 1024 C MET A 74 4.735 23.348 -13.841 1.00 0.00 C ATOM 1025 O MET A 74 4.359 24.480 -13.541 1.00 0.00 O ATOM 1026 CB MET A 74 4.393 21.333 -12.403 1.00 0.00 C ATOM 1027 CG MET A 74 3.382 21.272 -11.256 1.00 0.00 C ATOM 1028 SD MET A 74 4.216 20.880 -9.727 1.00 0.00 S ATOM 1029 CE MET A 74 5.222 19.507 -10.266 1.00 0.00 C ATOM 0 H MET A 74 4.126 20.341 -14.623 1.00 0.00 H new ATOM 0 HA MET A 74 2.835 22.494 -13.348 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.638 20.323 -12.730 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.319 21.788 -12.052 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.866 22.228 -11.164 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.623 20.519 -11.469 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.889 19.206 -9.459 1.00 0.00 H new ATOM 0 HE2 MET A 74 4.579 18.669 -10.537 1.00 0.00 H new ATOM 0 HE3 MET A 74 5.812 19.806 -11.132 1.00 0.00 H new ATOM 1039 N ARG A 75 5.906 23.069 -14.396 1.00 0.00 N ATOM 1040 CA ARG A 75 6.860 24.122 -14.700 1.00 0.00 C ATOM 1041 C ARG A 75 6.444 24.864 -15.972 1.00 0.00 C ATOM 1042 O ARG A 75 6.785 26.032 -16.153 1.00 0.00 O ATOM 1043 CB ARG A 75 8.267 23.552 -14.888 1.00 0.00 C ATOM 1044 CG ARG A 75 9.325 24.649 -14.753 1.00 0.00 C ATOM 1045 CD ARG A 75 10.336 24.580 -15.899 1.00 0.00 C ATOM 1046 NE ARG A 75 11.702 24.826 -15.384 1.00 0.00 N ATOM 1047 CZ ARG A 75 12.743 25.176 -16.153 1.00 0.00 C ATOM 1048 NH1 ARG A 75 12.580 25.321 -17.475 1.00 0.00 N ATOM 1049 NH2 ARG A 75 13.946 25.379 -15.600 1.00 0.00 N ATOM 0 H ARG A 75 6.215 22.129 -14.643 1.00 0.00 H new ATOM 0 HA ARG A 75 6.870 24.814 -13.858 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.449 22.773 -14.148 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.346 23.084 -15.869 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.842 25.626 -14.748 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.843 24.544 -13.800 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.290 23.602 -16.378 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.087 25.319 -16.660 1.00 0.00 H new ATOM 0 HE ARG A 75 11.861 24.723 -14.382 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.664 25.165 -17.896 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.372 25.587 -18.060 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.070 25.267 -14.594 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.738 25.645 -16.185 1.00 0.00 H new ATOM 1063 N ASN A 76 5.713 24.155 -16.820 1.00 0.00 N ATOM 1064 CA ASN A 76 5.247 24.732 -18.070 1.00 0.00 C ATOM 1065 C ASN A 76 4.040 25.631 -17.792 1.00 0.00 C ATOM 1066 O ASN A 76 3.713 26.503 -18.596 1.00 0.00 O ATOM 1067 CB ASN A 76 4.810 23.643 -19.050 1.00 0.00 C ATOM 1068 CG ASN A 76 6.019 23.010 -19.742 1.00 0.00 C ATOM 1069 OD1 ASN A 76 7.158 23.191 -19.345 1.00 0.00 O ATOM 1070 ND2 ASN A 76 5.708 22.262 -20.797 1.00 0.00 N ATOM 0 H ASN A 76 5.432 23.187 -16.666 1.00 0.00 H new ATOM 0 HA ASN A 76 6.068 25.301 -18.506 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.248 22.875 -18.519 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.141 24.069 -19.797 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.445 21.798 -21.328 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.733 22.153 -21.075 1.00 0.00 H new ATOM 1077 N LEU A 77 3.411 25.388 -16.652 1.00 0.00 N ATOM 1078 CA LEU A 77 2.247 26.164 -16.259 1.00 0.00 C ATOM 1079 C LEU A 77 2.587 26.992 -15.018 1.00 0.00 C ATOM 1080 O LEU A 77 3.081 28.112 -15.131 1.00 0.00 O ATOM 1081 CB LEU A 77 1.032 25.253 -16.076 1.00 0.00 C ATOM 1082 CG LEU A 77 0.582 24.478 -17.317 1.00 0.00 C ATOM 1083 CD1 LEU A 77 -0.301 23.290 -16.930 1.00 0.00 C ATOM 1084 CD2 LEU A 77 -0.109 25.403 -18.321 1.00 0.00 C ATOM 0 H LEU A 77 3.685 24.664 -15.987 1.00 0.00 H new ATOM 0 HA LEU A 77 1.974 26.866 -17.047 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.256 24.536 -15.286 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.196 25.860 -15.728 1.00 0.00 H new ATOM 0 HG LEU A 77 1.468 24.075 -17.808 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.607 22.756 -17.830 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.259 22.617 -16.281 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.185 23.650 -16.403 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.419 24.827 -19.193 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.985 25.856 -17.856 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.583 26.186 -18.630 1.00 0.00 H new ATOM 1096 N ASN A 78 2.309 26.408 -13.862 1.00 0.00 N ATOM 1097 CA ASN A 78 2.579 27.077 -12.601 1.00 0.00 C ATOM 1098 C ASN A 78 2.712 28.582 -12.846 1.00 0.00 C ATOM 1099 O ASN A 78 3.813 29.083 -13.069 1.00 0.00 O ATOM 1100 CB ASN A 78 3.887 26.581 -11.983 1.00 0.00 C ATOM 1101 CG ASN A 78 5.072 26.863 -12.909 1.00 0.00 C ATOM 1102 OD1 ASN A 78 4.998 26.716 -14.118 1.00 0.00 O ATOM 1103 ND2 ASN A 78 6.167 27.275 -12.276 1.00 0.00 N ATOM 0 H ASN A 78 1.899 25.478 -13.772 1.00 0.00 H new ATOM 0 HA ASN A 78 1.755 26.861 -11.921 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.048 27.069 -11.022 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.819 25.511 -11.789 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.012 27.489 -12.806 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.161 27.377 -11.261 1.00 0.00 H new ATOM 1110 N GLY A 79 1.575 29.260 -12.796 1.00 0.00 N ATOM 1111 CA GLY A 79 1.552 30.697 -13.010 1.00 0.00 C ATOM 1112 C GLY A 79 1.182 31.031 -14.456 1.00 0.00 C ATOM 1113 O GLY A 79 1.498 32.112 -14.949 1.00 0.00 O ATOM 0 H GLY A 79 0.664 28.841 -12.611 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.834 31.158 -12.332 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.529 31.119 -12.774 1.00 0.00 H new ATOM 1117 N ARG A 80 0.516 30.081 -15.097 1.00 0.00 N ATOM 1118 CA ARG A 80 0.099 30.260 -16.477 1.00 0.00 C ATOM 1119 C ARG A 80 -1.228 31.019 -16.537 1.00 0.00 C ATOM 1120 O ARG A 80 -2.235 30.559 -16.001 1.00 0.00 O ATOM 1121 CB ARG A 80 -0.060 28.912 -17.184 1.00 0.00 C ATOM 1122 CG ARG A 80 -0.831 29.069 -18.496 1.00 0.00 C ATOM 1123 CD ARG A 80 -0.122 30.047 -19.435 1.00 0.00 C ATOM 1124 NE ARG A 80 -0.950 30.284 -20.639 1.00 0.00 N ATOM 1125 CZ ARG A 80 -0.467 30.720 -21.810 1.00 0.00 C ATOM 1126 NH1 ARG A 80 0.843 30.971 -21.942 1.00 0.00 N ATOM 1127 NH2 ARG A 80 -1.293 30.907 -22.848 1.00 0.00 N ATOM 0 H ARG A 80 0.255 29.185 -14.686 1.00 0.00 H new ATOM 0 HA ARG A 80 0.873 30.835 -16.985 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.922 28.484 -17.384 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.584 28.214 -16.531 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.929 28.099 -18.983 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.840 29.425 -18.289 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.063 30.989 -18.920 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.849 29.646 -19.725 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.952 30.104 -20.573 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.472 30.830 -21.151 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.211 31.303 -22.833 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.290 30.717 -22.747 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.925 31.239 -23.739 1.00 0.00 H new ATOM 1141 N GLU A 81 -1.186 32.169 -17.194 1.00 0.00 N ATOM 1142 CA GLU A 81 -2.373 32.996 -17.331 1.00 0.00 C ATOM 1143 C GLU A 81 -3.436 32.268 -18.156 1.00 0.00 C ATOM 1144 O GLU A 81 -3.114 31.600 -19.138 1.00 0.00 O ATOM 1145 CB GLU A 81 -2.028 34.351 -17.953 1.00 0.00 C ATOM 1146 CG GLU A 81 -0.863 35.012 -17.216 1.00 0.00 C ATOM 1147 CD GLU A 81 0.019 35.805 -18.183 1.00 0.00 C ATOM 1148 OE1 GLU A 81 -0.533 36.270 -19.203 1.00 0.00 O ATOM 1149 OE2 GLU A 81 1.226 35.927 -17.880 1.00 0.00 O ATOM 0 H GLU A 81 -0.349 32.547 -17.637 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.779 33.182 -16.337 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.770 34.218 -19.003 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.901 35.003 -17.920 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.248 35.676 -16.442 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.266 34.250 -16.715 1.00 0.00 H new ATOM 1156 N PHE A 82 -4.680 32.421 -17.728 1.00 0.00 N ATOM 1157 CA PHE A 82 -5.792 31.787 -18.415 1.00 0.00 C ATOM 1158 C PHE A 82 -7.127 32.186 -17.783 1.00 0.00 C ATOM 1159 O PHE A 82 -7.215 32.362 -16.569 1.00 0.00 O ATOM 1160 CB PHE A 82 -5.604 30.275 -18.268 1.00 0.00 C ATOM 1161 CG PHE A 82 -6.495 29.445 -19.194 1.00 0.00 C ATOM 1162 CD1 PHE A 82 -7.778 29.171 -18.838 1.00 0.00 C ATOM 1163 CD2 PHE A 82 -6.003 28.981 -20.375 1.00 0.00 C ATOM 1164 CE1 PHE A 82 -8.605 28.400 -19.697 1.00 0.00 C ATOM 1165 CE2 PHE A 82 -6.830 28.210 -21.234 1.00 0.00 C ATOM 1166 CZ PHE A 82 -8.114 27.936 -20.877 1.00 0.00 C ATOM 0 H PHE A 82 -4.943 32.975 -16.913 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.809 32.096 -19.460 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.561 30.028 -18.466 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.808 29.992 -17.235 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.169 29.540 -17.901 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.984 29.199 -20.659 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.624 28.182 -19.413 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.440 27.841 -22.171 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.743 27.350 -21.531 1.00 0.00 H new ATOM 1218 N ALA A 86 -4.340 33.499 -13.258 1.00 0.00 N ATOM 1219 CA ALA A 86 -3.172 32.635 -13.273 1.00 0.00 C ATOM 1220 C ALA A 86 -3.585 31.218 -12.872 1.00 0.00 C ATOM 1221 O ALA A 86 -4.451 31.038 -12.017 1.00 0.00 O ATOM 1222 CB ALA A 86 -2.098 33.212 -12.349 1.00 0.00 C ATOM 0 HA ALA A 86 -2.747 32.583 -14.275 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.222 32.564 -12.360 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.818 34.207 -12.694 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.488 33.277 -11.333 1.00 0.00 H new ATOM 1228 N LEU A 87 -2.947 30.247 -13.510 1.00 0.00 N ATOM 1229 CA LEU A 87 -3.238 28.851 -13.230 1.00 0.00 C ATOM 1230 C LEU A 87 -2.161 28.286 -12.302 1.00 0.00 C ATOM 1231 O LEU A 87 -1.092 27.883 -12.758 1.00 0.00 O ATOM 1232 CB LEU A 87 -3.400 28.066 -14.533 1.00 0.00 C ATOM 1233 CG LEU A 87 -4.829 27.936 -15.065 1.00 0.00 C ATOM 1234 CD1 LEU A 87 -5.430 26.578 -14.696 1.00 0.00 C ATOM 1235 CD2 LEU A 87 -5.701 29.098 -14.585 1.00 0.00 C ATOM 0 H LEU A 87 -2.230 30.400 -14.219 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.190 28.758 -12.708 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.790 28.544 -15.300 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.997 27.064 -14.383 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.794 27.988 -16.153 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.446 26.512 -15.086 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.823 25.782 -15.127 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.450 26.472 -13.611 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.711 28.981 -14.977 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.733 29.103 -13.495 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.281 30.039 -14.940 1.00 0.00 H new ATOM 1247 N ARG A 88 -2.480 28.275 -11.016 1.00 0.00 N ATOM 1248 CA ARG A 88 -1.553 27.766 -10.019 1.00 0.00 C ATOM 1249 C ARG A 88 -1.480 26.240 -10.092 1.00 0.00 C ATOM 1250 O ARG A 88 -2.476 25.555 -9.862 1.00 0.00 O ATOM 1251 CB ARG A 88 -1.977 28.183 -8.609 1.00 0.00 C ATOM 1252 CG ARG A 88 -1.027 29.239 -8.041 1.00 0.00 C ATOM 1253 CD ARG A 88 -1.749 30.144 -7.041 1.00 0.00 C ATOM 1254 NE ARG A 88 -0.764 30.949 -6.284 1.00 0.00 N ATOM 1255 CZ ARG A 88 -1.007 31.504 -5.089 1.00 0.00 C ATOM 1256 NH1 ARG A 88 -2.204 31.346 -4.508 1.00 0.00 N ATOM 1257 NH2 ARG A 88 -0.053 32.218 -4.475 1.00 0.00 N ATOM 0 H ARG A 88 -3.367 28.610 -10.641 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.572 28.190 -10.231 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.993 28.577 -8.633 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.989 27.310 -7.956 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.184 28.750 -7.552 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.619 29.841 -8.853 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.441 30.802 -7.567 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.342 29.540 -6.354 1.00 0.00 H new ATOM 0 HE ARG A 88 0.157 31.090 -6.698 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.930 30.803 -4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.389 31.768 -3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.858 32.339 -4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.238 32.640 -3.565 1.00 0.00 H new ATOM 1271 N VAL A 89 -0.292 25.750 -10.413 1.00 0.00 N ATOM 1272 CA VAL A 89 -0.076 24.317 -10.519 1.00 0.00 C ATOM 1273 C VAL A 89 1.093 23.914 -9.619 1.00 0.00 C ATOM 1274 O VAL A 89 2.202 24.424 -9.769 1.00 0.00 O ATOM 1275 CB VAL A 89 0.135 23.927 -11.983 1.00 0.00 C ATOM 1276 CG1 VAL A 89 0.328 22.416 -12.125 1.00 0.00 C ATOM 1277 CG2 VAL A 89 -1.025 24.416 -12.854 1.00 0.00 C ATOM 0 H VAL A 89 0.532 26.320 -10.603 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.955 23.772 -10.174 1.00 0.00 H new ATOM 0 HB VAL A 89 1.045 24.416 -12.332 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.476 22.165 -13.175 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.201 22.105 -11.551 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.555 21.899 -11.750 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.850 24.126 -13.890 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.956 23.969 -12.504 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.096 25.502 -12.789 1.00 0.00 H new ATOM 1287 N ASP A 90 0.805 23.002 -8.702 1.00 0.00 N ATOM 1288 CA ASP A 90 1.819 22.524 -7.777 1.00 0.00 C ATOM 1289 C ASP A 90 1.644 21.018 -7.569 1.00 0.00 C ATOM 1290 O ASP A 90 0.545 20.490 -7.727 1.00 0.00 O ATOM 1291 CB ASP A 90 1.688 23.208 -6.415 1.00 0.00 C ATOM 1292 CG ASP A 90 0.561 24.238 -6.314 1.00 0.00 C ATOM 1293 OD1 ASP A 90 0.488 25.090 -7.225 1.00 0.00 O ATOM 1294 OD2 ASP A 90 -0.203 24.149 -5.328 1.00 0.00 O ATOM 0 H ASP A 90 -0.116 22.581 -8.580 1.00 0.00 H new ATOM 0 HA ASP A 90 2.797 22.751 -8.202 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.530 22.443 -5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.632 23.700 -6.180 1.00 0.00 H new ATOM 1299 N ASN A 91 2.745 20.370 -7.219 1.00 0.00 N ATOM 1300 CA ASN A 91 2.728 18.936 -6.987 1.00 0.00 C ATOM 1301 C ASN A 91 1.544 18.583 -6.085 1.00 0.00 C ATOM 1302 O ASN A 91 1.441 19.083 -4.966 1.00 0.00 O ATOM 1303 CB ASN A 91 4.009 18.475 -6.289 1.00 0.00 C ATOM 1304 CG ASN A 91 4.614 17.262 -6.998 1.00 0.00 C ATOM 1305 OD1 ASN A 91 5.317 17.377 -7.988 1.00 0.00 O ATOM 1306 ND2 ASN A 91 4.304 16.097 -6.438 1.00 0.00 N ATOM 0 H ASN A 91 3.655 20.812 -7.090 1.00 0.00 H new ATOM 0 HA ASN A 91 2.646 18.440 -7.954 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.733 19.290 -6.274 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.791 18.223 -5.251 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.660 15.229 -6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.710 16.072 -5.609 1.00 0.00 H new ATOM 1313 N ALA A 92 0.679 17.725 -6.606 1.00 0.00 N ATOM 1314 CA ALA A 92 -0.494 17.300 -5.861 1.00 0.00 C ATOM 1315 C ALA A 92 -0.051 16.536 -4.612 1.00 0.00 C ATOM 1316 O ALA A 92 -0.857 16.276 -3.720 1.00 0.00 O ATOM 1317 CB ALA A 92 -1.398 16.461 -6.767 1.00 0.00 C ATOM 0 H ALA A 92 0.767 17.313 -7.535 1.00 0.00 H new ATOM 0 HA ALA A 92 -1.072 18.163 -5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.278 16.142 -6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.709 17.058 -7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.852 15.584 -7.115 1.00 0.00 H new ATOM 1323 N ALA A 93 1.230 16.199 -4.587 1.00 0.00 N ATOM 1324 CA ALA A 93 1.791 15.470 -3.462 1.00 0.00 C ATOM 1325 C ALA A 93 2.323 16.466 -2.429 1.00 0.00 C ATOM 1326 O ALA A 93 3.203 16.134 -1.637 1.00 0.00 O ATOM 1327 CB ALA A 93 2.875 14.514 -3.962 1.00 0.00 C ATOM 0 H ALA A 93 1.896 16.417 -5.328 1.00 0.00 H new ATOM 0 HA ALA A 93 1.025 14.867 -2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.296 13.967 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.440 13.809 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.663 15.083 -4.455 1.00 0.00 H new ATOM 1333 N SER A 94 1.765 17.668 -2.471 1.00 0.00 N ATOM 1334 CA SER A 94 2.173 18.714 -1.549 1.00 0.00 C ATOM 1335 C SER A 94 1.501 18.505 -0.190 1.00 0.00 C ATOM 1336 O SER A 94 0.428 17.908 -0.110 1.00 0.00 O ATOM 1337 CB SER A 94 1.833 20.099 -2.102 1.00 0.00 C ATOM 1338 OG SER A 94 2.866 20.607 -2.941 1.00 0.00 O ATOM 0 H SER A 94 1.034 17.940 -3.129 1.00 0.00 H new ATOM 0 HA SER A 94 3.254 18.658 -1.425 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.902 20.046 -2.666 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.666 20.789 -1.275 1.00 0.00 H new ATOM 0 HG SER A 94 2.737 20.278 -3.855 1.00 0.00 H new ATOM 1344 N GLU A 95 2.159 19.009 0.844 1.00 0.00 N ATOM 1345 CA GLU A 95 1.638 18.885 2.194 1.00 0.00 C ATOM 1346 C GLU A 95 0.363 19.716 2.350 1.00 0.00 C ATOM 1347 O GLU A 95 -0.542 19.337 3.092 1.00 0.00 O ATOM 1348 CB GLU A 95 2.690 19.296 3.227 1.00 0.00 C ATOM 1349 CG GLU A 95 2.185 19.050 4.651 1.00 0.00 C ATOM 1350 CD GLU A 95 3.352 18.930 5.633 1.00 0.00 C ATOM 1351 OE1 GLU A 95 3.783 19.990 6.135 1.00 0.00 O ATOM 1352 OE2 GLU A 95 3.787 17.780 5.858 1.00 0.00 O ATOM 0 H GLU A 95 3.048 19.504 0.774 1.00 0.00 H new ATOM 0 HA GLU A 95 1.390 17.839 2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.608 18.733 3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.936 20.350 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.531 19.868 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.588 18.138 4.677 1.00 0.00 H new ATOM 1359 N LYS A 96 0.332 20.833 1.638 1.00 0.00 N ATOM 1360 CA LYS A 96 -0.818 21.720 1.687 1.00 0.00 C ATOM 1361 C LYS A 96 -1.911 21.184 0.761 1.00 0.00 C ATOM 1362 O LYS A 96 -3.098 21.328 1.047 1.00 0.00 O ATOM 1363 CB LYS A 96 -0.398 23.158 1.376 1.00 0.00 C ATOM 1364 CG LYS A 96 0.410 23.756 2.529 1.00 0.00 C ATOM 1365 CD LYS A 96 -0.398 24.825 3.268 1.00 0.00 C ATOM 1366 CE LYS A 96 -0.374 24.584 4.779 1.00 0.00 C ATOM 1367 NZ LYS A 96 0.803 25.241 5.390 1.00 0.00 N ATOM 0 H LYS A 96 1.085 21.144 1.024 1.00 0.00 H new ATOM 0 HA LYS A 96 -1.237 21.745 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.196 23.177 0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.283 23.767 1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.697 22.967 3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.331 24.193 2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.010 25.811 3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.428 24.819 2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.288 24.971 5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.347 23.513 4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.804 25.068 6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.673 24.853 4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.760 26.265 5.212 1.00 0.00 H new ATOM 1381 N ASN A 97 -1.471 20.576 -0.331 1.00 0.00 N ATOM 1382 CA ASN A 97 -2.397 20.018 -1.302 1.00 0.00 C ATOM 1383 C ASN A 97 -3.041 18.758 -0.719 1.00 0.00 C ATOM 1384 O ASN A 97 -4.096 18.326 -1.181 1.00 0.00 O ATOM 1385 CB ASN A 97 -1.674 19.626 -2.591 1.00 0.00 C ATOM 1386 CG ASN A 97 -1.266 20.865 -3.390 1.00 0.00 C ATOM 1387 OD1 ASN A 97 -1.655 21.983 -3.093 1.00 0.00 O ATOM 1388 ND2 ASN A 97 -0.464 20.606 -4.419 1.00 0.00 N ATOM 0 H ASN A 97 -0.485 20.458 -0.565 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.148 20.776 -1.526 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.789 19.036 -2.351 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.323 18.995 -3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.137 21.367 -5.015 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.176 19.647 -4.612 1.00 0.00 H new ATOM 1395 N LYS A 98 -2.380 18.205 0.287 1.00 0.00 N ATOM 1396 CA LYS A 98 -2.875 17.004 0.937 1.00 0.00 C ATOM 1397 C LYS A 98 -4.210 17.311 1.618 1.00 0.00 C ATOM 1398 O LYS A 98 -5.113 16.476 1.627 1.00 0.00 O ATOM 1399 CB LYS A 98 -1.818 16.433 1.885 1.00 0.00 C ATOM 1400 CG LYS A 98 -2.000 16.980 3.302 1.00 0.00 C ATOM 1401 CD LYS A 98 -3.016 16.146 4.085 1.00 0.00 C ATOM 1402 CE LYS A 98 -3.688 16.982 5.176 1.00 0.00 C ATOM 1403 NZ LYS A 98 -3.404 16.414 6.513 1.00 0.00 N ATOM 0 H LYS A 98 -1.506 18.567 0.668 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.064 16.223 0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.887 15.345 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.822 16.684 1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.043 16.976 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.334 18.017 3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.772 15.755 3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.517 15.288 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.329 18.010 5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.765 17.012 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.867 16.993 7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.768 15.441 6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.377 16.408 6.677 1.00 0.00 H new ATOM 1417 N GLU A 99 -4.292 18.511 2.173 1.00 0.00 N ATOM 1418 CA GLU A 99 -5.501 18.939 2.856 1.00 0.00 C ATOM 1419 C GLU A 99 -6.670 19.007 1.871 1.00 0.00 C ATOM 1420 O GLU A 99 -7.808 18.708 2.231 1.00 0.00 O ATOM 1421 CB GLU A 99 -5.291 20.285 3.551 1.00 0.00 C ATOM 1422 CG GLU A 99 -4.679 20.095 4.940 1.00 0.00 C ATOM 1423 CD GLU A 99 -5.093 21.229 5.882 1.00 0.00 C ATOM 1424 OE1 GLU A 99 -4.925 22.397 5.471 1.00 0.00 O ATOM 1425 OE2 GLU A 99 -5.567 20.901 6.990 1.00 0.00 O ATOM 0 H GLU A 99 -3.541 19.201 2.164 1.00 0.00 H new ATOM 0 HA GLU A 99 -5.740 18.204 3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.638 20.913 2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.244 20.806 3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.998 19.139 5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.592 20.061 4.861 1.00 0.00 H new ATOM 1432 N GLU A 100 -6.350 19.401 0.647 1.00 0.00 N ATOM 1433 CA GLU A 100 -7.359 19.512 -0.392 1.00 0.00 C ATOM 1434 C GLU A 100 -7.817 18.122 -0.838 1.00 0.00 C ATOM 1435 O GLU A 100 -9.010 17.885 -1.019 1.00 0.00 O ATOM 1436 CB GLU A 100 -6.838 20.324 -1.579 1.00 0.00 C ATOM 1437 CG GLU A 100 -6.786 21.816 -1.241 1.00 0.00 C ATOM 1438 CD GLU A 100 -8.066 22.524 -1.689 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -9.065 22.415 -0.945 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -8.017 23.159 -2.765 1.00 0.00 O ATOM 0 H GLU A 100 -5.405 19.647 0.352 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.218 20.042 0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -5.843 19.975 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.482 20.165 -2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.652 21.945 -0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.924 22.273 -1.727 1.00 0.00 H new ATOM 1447 N LEU A 101 -6.843 17.238 -1.002 1.00 0.00 N ATOM 1448 CA LEU A 101 -7.131 15.877 -1.423 1.00 0.00 C ATOM 1449 C LEU A 101 -7.989 15.189 -0.360 1.00 0.00 C ATOM 1450 O LEU A 101 -8.831 14.353 -0.682 1.00 0.00 O ATOM 1451 CB LEU A 101 -5.835 15.131 -1.745 1.00 0.00 C ATOM 1452 CG LEU A 101 -5.235 15.394 -3.128 1.00 0.00 C ATOM 1453 CD1 LEU A 101 -3.818 15.960 -3.012 1.00 0.00 C ATOM 1454 CD2 LEU A 101 -5.280 14.134 -3.994 1.00 0.00 C ATOM 0 H LEU A 101 -5.854 17.438 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.709 15.878 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.091 15.394 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.021 14.061 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.843 16.149 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.415 16.138 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.845 16.899 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.183 15.247 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.848 14.349 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.710 13.340 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.315 13.814 -4.117 1.00 0.00 H new ATOM 1466 N LYS A 102 -7.746 15.567 0.887 1.00 0.00 N ATOM 1467 CA LYS A 102 -8.486 14.997 2.000 1.00 0.00 C ATOM 1468 C LYS A 102 -9.985 15.084 1.708 1.00 0.00 C ATOM 1469 O LYS A 102 -10.762 14.255 2.179 1.00 0.00 O ATOM 1470 CB LYS A 102 -8.076 15.664 3.314 1.00 0.00 C ATOM 1471 CG LYS A 102 -8.299 14.724 4.500 1.00 0.00 C ATOM 1472 CD LYS A 102 -7.985 15.425 5.823 1.00 0.00 C ATOM 1473 CE LYS A 102 -6.960 14.631 6.635 1.00 0.00 C ATOM 1474 NZ LYS A 102 -7.400 14.504 8.042 1.00 0.00 N ATOM 0 H LYS A 102 -7.047 16.261 1.151 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.244 13.941 2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.026 15.953 3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -8.652 16.578 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.332 14.378 4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.668 13.842 4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.601 16.426 5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.901 15.543 6.402 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.829 13.641 6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.991 15.128 6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.693 13.962 8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.502 15.451 8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.314 14.010 8.077 1.00 0.00 H new ATOM 1488 N SER A 103 -10.347 16.095 0.932 1.00 0.00 N ATOM 1489 CA SER A 103 -11.739 16.301 0.571 1.00 0.00 C ATOM 1490 C SER A 103 -12.091 15.460 -0.658 1.00 0.00 C ATOM 1491 O SER A 103 -13.221 14.991 -0.790 1.00 0.00 O ATOM 1492 CB SER A 103 -12.025 17.780 0.302 1.00 0.00 C ATOM 1493 OG SER A 103 -13.138 18.254 1.055 1.00 0.00 O ATOM 0 H SER A 103 -9.700 16.781 0.543 1.00 0.00 H new ATOM 0 HA SER A 103 -12.360 15.985 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 103 -11.143 18.371 0.548 1.00 0.00 H new ATOM 0 HB3 SER A 103 -12.218 17.924 -0.761 1.00 0.00 H new ATOM 0 HG SER A 103 -13.287 19.202 0.857 1.00 0.00 H new ATOM 1499 N LEU A 104 -11.104 15.296 -1.525 1.00 0.00 N ATOM 1500 CA LEU A 104 -11.295 14.520 -2.739 1.00 0.00 C ATOM 1501 C LEU A 104 -10.956 13.054 -2.461 1.00 0.00 C ATOM 1502 O LEU A 104 -10.913 12.238 -3.380 1.00 0.00 O ATOM 1503 CB LEU A 104 -10.498 15.127 -3.895 1.00 0.00 C ATOM 1504 CG LEU A 104 -11.274 15.368 -5.191 1.00 0.00 C ATOM 1505 CD1 LEU A 104 -12.632 16.013 -4.906 1.00 0.00 C ATOM 1506 CD2 LEU A 104 -10.446 16.190 -6.181 1.00 0.00 C ATOM 0 H LEU A 104 -10.169 15.687 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.339 14.553 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -10.081 16.078 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.657 14.469 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.468 14.402 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.163 16.173 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.219 15.356 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.483 16.970 -4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.021 16.347 -7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.200 17.154 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.527 15.655 -6.419 1.00 0.00 H new