USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 840 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 CYS SG : rot 152:sc= -0.71 USER MOD Set 1.2: A 41 GLN :FLIP amide:sc= -1.07 F(o=-2.4!,f=-1.8) USER MOD Single : A 8 ASN : amide:sc= -1.42 K(o=-1.4,f=-7.1!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 16 ASN : amide:sc= -1.72 K(o=-1.7,f=-4.5!) USER MOD Single : A 26 MET CE :methyl -153:sc= -0.0988 (180deg=-0.234) USER MOD Single : A 30 TYR OH : rot -121:sc= 0.0153 USER MOD Single : A 34 CYS SG : rot 180:sc= -1.16 USER MOD Single : A 38 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.4!) USER MOD Single : A 39 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.9) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.856 K(o=0.86,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -5.46! C(o=-5.5!,f=-7.8!) USER MOD Single : A 70 SER OG : rot 82:sc= -0.811 USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 80 THR OG1 : rot 135:sc= 1.28 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS :FLIP no HE2:sc= 0.0608 F(o=-0.96,f=0.061) USER MOD Single : A 84 CYS SG : rot 97:sc= -1.98! USER MOD Single : A 85 LYS NZ :NH3+ 147:sc= 1.18 (180deg=0.157) USER MOD Single : A 92 TYR OH : rot -8:sc= 0.598 USER MOD Single : A 93 GLN : amide:sc= -0.149 K(o=-0.15,f=-2.1!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.817 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -10.9! C(o=-11!,f=-11!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 -9.580 -6.053 -0.955 1.00 0.00 N ATOM 67 CA ASN A 8 -8.312 -6.538 -0.423 1.00 0.00 C ATOM 68 C ASN A 8 -7.603 -5.448 0.373 1.00 0.00 C ATOM 69 O ASN A 8 -6.964 -5.721 1.390 1.00 0.00 O ATOM 70 CB ASN A 8 -7.411 -7.024 -1.560 1.00 0.00 C ATOM 71 CG ASN A 8 -7.505 -6.142 -2.789 1.00 0.00 C ATOM 72 OD1 ASN A 8 -8.035 -5.032 -2.732 1.00 0.00 O ATOM 73 ND2 ASN A 8 -6.991 -6.634 -3.911 1.00 0.00 N ATOM 0 HA ASN A 8 -8.523 -7.372 0.246 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.378 -7.052 -1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.686 -8.045 -1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.026 -6.087 -4.771 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.561 -7.559 -3.912 1.00 0.00 H new ATOM 80 N VAL A 9 -7.719 -4.209 -0.096 1.00 0.00 N ATOM 81 CA VAL A 9 -7.091 -3.076 0.573 1.00 0.00 C ATOM 82 C VAL A 9 -7.902 -2.635 1.786 1.00 0.00 C ATOM 83 O VAL A 9 -9.132 -2.592 1.741 1.00 0.00 O ATOM 84 CB VAL A 9 -6.927 -1.880 -0.384 1.00 0.00 C ATOM 85 CG1 VAL A 9 -6.097 -0.785 0.268 1.00 0.00 C ATOM 86 CG2 VAL A 9 -6.298 -2.329 -1.694 1.00 0.00 C ATOM 0 H VAL A 9 -8.242 -3.965 -0.937 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.106 -3.408 0.900 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.914 -1.473 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.992 0.052 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.593 -0.445 1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.111 -1.176 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.189 -1.472 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.317 -2.762 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.936 -3.076 -2.167 1.00 0.00 H new ATOM 96 N ARG A 10 -7.205 -2.307 2.869 1.00 0.00 N ATOM 97 CA ARG A 10 -7.861 -1.870 4.096 1.00 0.00 C ATOM 98 C ARG A 10 -7.773 -0.354 4.248 1.00 0.00 C ATOM 99 O ARG A 10 -6.804 0.269 3.814 1.00 0.00 O ATOM 100 CB ARG A 10 -7.227 -2.552 5.310 1.00 0.00 C ATOM 101 CG ARG A 10 -7.621 -4.013 5.461 1.00 0.00 C ATOM 102 CD ARG A 10 -8.873 -4.166 6.312 1.00 0.00 C ATOM 103 NE ARG A 10 -9.433 -5.512 6.222 1.00 0.00 N ATOM 104 CZ ARG A 10 -10.204 -5.922 5.221 1.00 0.00 C ATOM 105 NH1 ARG A 10 -10.504 -5.095 4.229 1.00 0.00 N ATOM 106 NH2 ARG A 10 -10.676 -7.162 5.211 1.00 0.00 N ATOM 0 H ARG A 10 -6.187 -2.335 2.922 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.912 -2.153 4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.142 -2.483 5.230 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.515 -2.011 6.212 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.793 -4.448 4.477 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.800 -4.567 5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.635 -3.941 7.352 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.620 -3.440 5.992 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.220 -6.173 6.969 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.143 -4.141 4.233 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.096 -5.413 3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.447 -7.801 5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.268 -7.476 4.442 1.00 0.00 H new ATOM 120 N VAL A 11 -8.792 0.233 4.868 1.00 0.00 N ATOM 121 CA VAL A 11 -8.830 1.676 5.078 1.00 0.00 C ATOM 122 C VAL A 11 -8.531 2.027 6.531 1.00 0.00 C ATOM 123 O VAL A 11 -9.373 1.843 7.410 1.00 0.00 O ATOM 124 CB VAL A 11 -10.200 2.264 4.690 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.232 3.761 4.953 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.515 1.962 3.233 1.00 0.00 C ATOM 0 H VAL A 11 -9.602 -0.268 5.233 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.063 2.110 4.437 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.966 1.795 5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.207 4.159 4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.054 3.948 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.457 4.251 4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.486 2.384 2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.748 2.402 2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.537 0.883 3.082 1.00 0.00 H new ATOM 136 N ILE A 12 -7.328 2.534 6.776 1.00 0.00 N ATOM 137 CA ILE A 12 -6.919 2.913 8.123 1.00 0.00 C ATOM 138 C ILE A 12 -7.347 4.341 8.446 1.00 0.00 C ATOM 139 O ILE A 12 -7.181 5.251 7.633 1.00 0.00 O ATOM 140 CB ILE A 12 -5.394 2.794 8.303 1.00 0.00 C ATOM 141 CG1 ILE A 12 -4.928 1.376 7.965 1.00 0.00 C ATOM 142 CG2 ILE A 12 -4.998 3.163 9.724 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.477 0.321 8.901 1.00 0.00 C ATOM 0 H ILE A 12 -6.619 2.692 6.060 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.413 2.224 8.808 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.907 3.489 7.619 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.228 1.137 6.945 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.839 1.344 7.993 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.917 3.074 9.835 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.301 4.189 9.931 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.492 2.491 10.426 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.106 -0.659 8.602 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.155 0.536 9.920 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.566 0.326 8.856 1.00 0.00 H new ATOM 155 N THR A 13 -7.897 4.532 9.641 1.00 0.00 N ATOM 156 CA THR A 13 -8.349 5.848 10.073 1.00 0.00 C ATOM 157 C THR A 13 -7.554 6.333 11.280 1.00 0.00 C ATOM 158 O THR A 13 -6.595 5.688 11.704 1.00 0.00 O ATOM 159 CB THR A 13 -9.847 5.839 10.430 1.00 0.00 C ATOM 160 OG1 THR A 13 -10.111 4.834 11.415 1.00 0.00 O ATOM 161 CG2 THR A 13 -10.696 5.580 9.194 1.00 0.00 C ATOM 0 H THR A 13 -8.040 3.791 10.327 1.00 0.00 H new ATOM 0 HA THR A 13 -8.187 6.528 9.237 1.00 0.00 H new ATOM 0 HB THR A 13 -10.107 6.818 10.832 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.065 4.837 11.637 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.750 5.578 9.471 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.515 6.363 8.458 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.431 4.613 8.767 1.00 0.00 H new ATOM 169 N ASP A 14 -7.958 7.473 11.830 1.00 0.00 N ATOM 170 CA ASP A 14 -7.284 8.044 12.990 1.00 0.00 C ATOM 171 C ASP A 14 -7.449 7.145 14.211 1.00 0.00 C ATOM 172 O ASP A 14 -6.897 7.421 15.275 1.00 0.00 O ATOM 173 CB ASP A 14 -7.834 9.439 13.290 1.00 0.00 C ATOM 174 CG ASP A 14 -9.314 9.556 12.985 1.00 0.00 C ATOM 175 OD1 ASP A 14 -10.063 8.608 13.303 1.00 0.00 O ATOM 176 OD2 ASP A 14 -9.724 10.597 12.429 1.00 0.00 O ATOM 0 H ASP A 14 -8.749 8.020 11.491 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.221 8.123 12.760 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.663 9.676 14.340 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.286 10.176 12.703 1.00 0.00 H new ATOM 181 N GLU A 15 -8.213 6.069 14.049 1.00 0.00 N ATOM 182 CA GLU A 15 -8.452 5.131 15.139 1.00 0.00 C ATOM 183 C GLU A 15 -7.877 3.756 14.810 1.00 0.00 C ATOM 184 O GLU A 15 -7.240 3.121 15.649 1.00 0.00 O ATOM 185 CB GLU A 15 -9.951 5.015 15.423 1.00 0.00 C ATOM 186 CG GLU A 15 -10.494 6.132 16.297 1.00 0.00 C ATOM 187 CD GLU A 15 -12.007 6.227 16.252 1.00 0.00 C ATOM 188 OE1 GLU A 15 -12.670 5.173 16.347 1.00 0.00 O ATOM 189 OE2 GLU A 15 -12.527 7.355 16.122 1.00 0.00 O ATOM 0 H GLU A 15 -8.677 5.826 13.174 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.950 5.512 16.028 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.492 5.010 14.477 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.147 4.058 15.907 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.175 5.970 17.327 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.065 7.081 15.975 1.00 0.00 H new ATOM 196 N ASN A 16 -8.109 3.303 13.582 1.00 0.00 N ATOM 197 CA ASN A 16 -7.616 2.004 13.141 1.00 0.00 C ATOM 198 C ASN A 16 -6.103 1.908 13.315 1.00 0.00 C ATOM 199 O ASN A 16 -5.549 0.815 13.424 1.00 0.00 O ATOM 200 CB ASN A 16 -7.989 1.763 11.677 1.00 0.00 C ATOM 201 CG ASN A 16 -8.186 0.293 11.364 1.00 0.00 C ATOM 202 OD1 ASN A 16 -7.874 -0.574 12.181 1.00 0.00 O ATOM 203 ND2 ASN A 16 -8.707 0.005 10.177 1.00 0.00 N ATOM 0 H ASN A 16 -8.635 3.817 12.875 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.084 1.237 13.759 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.904 2.307 11.444 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.206 2.167 11.035 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.863 -0.967 9.911 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.951 0.756 9.531 1.00 0.00 H new ATOM 210 N TRP A 17 -5.443 3.060 13.339 1.00 0.00 N ATOM 211 CA TRP A 17 -3.994 3.107 13.501 1.00 0.00 C ATOM 212 C TRP A 17 -3.519 2.032 14.473 1.00 0.00 C ATOM 213 O TRP A 17 -2.632 1.241 14.153 1.00 0.00 O ATOM 214 CB TRP A 17 -3.559 4.487 13.995 1.00 0.00 C ATOM 215 CG TRP A 17 -4.035 4.799 15.381 1.00 0.00 C ATOM 216 CD1 TRP A 17 -5.277 5.238 15.742 1.00 0.00 C ATOM 217 CD2 TRP A 17 -3.276 4.696 16.591 1.00 0.00 C ATOM 218 NE1 TRP A 17 -5.336 5.415 17.104 1.00 0.00 N ATOM 219 CE2 TRP A 17 -4.122 5.088 17.648 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.966 4.309 16.885 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -3.697 5.105 18.974 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -1.546 4.327 18.202 1.00 0.00 C ATOM 223 CH2 TRP A 17 -2.409 4.722 19.233 1.00 0.00 C ATOM 0 H TRP A 17 -5.887 3.974 13.248 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.539 2.918 12.529 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.471 4.548 13.970 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.936 5.246 13.310 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -6.093 5.419 15.058 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.151 5.737 17.625 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -1.294 4.001 16.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -4.360 5.410 19.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -0.535 4.031 18.440 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.051 4.724 20.252 1.00 0.00 H new ATOM 234 N ARG A 18 -4.116 2.010 15.660 1.00 0.00 N ATOM 235 CA ARG A 18 -3.753 1.033 16.679 1.00 0.00 C ATOM 236 C ARG A 18 -3.444 -0.322 16.048 1.00 0.00 C ATOM 237 O ARG A 18 -2.438 -0.952 16.371 1.00 0.00 O ATOM 238 CB ARG A 18 -4.882 0.885 17.701 1.00 0.00 C ATOM 239 CG ARG A 18 -5.151 2.151 18.498 1.00 0.00 C ATOM 240 CD ARG A 18 -5.949 1.857 19.758 1.00 0.00 C ATOM 241 NE ARG A 18 -6.033 3.021 20.637 1.00 0.00 N ATOM 242 CZ ARG A 18 -6.923 3.140 21.615 1.00 0.00 C ATOM 243 NH1 ARG A 18 -7.801 2.172 21.839 1.00 0.00 N ATOM 244 NH2 ARG A 18 -6.937 4.229 22.373 1.00 0.00 N ATOM 0 H ARG A 18 -4.853 2.657 15.940 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.857 1.392 17.186 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.794 0.592 17.182 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.634 0.078 18.390 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.205 2.621 18.767 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.696 2.863 17.879 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.954 1.536 19.484 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.486 1.029 20.296 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.372 3.784 20.491 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.794 1.333 21.259 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.483 2.266 22.591 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.263 4.976 22.205 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.621 4.319 23.124 1.00 0.00 H new ATOM 258 N GLU A 19 -4.317 -0.762 15.147 1.00 0.00 N ATOM 259 CA GLU A 19 -4.137 -2.042 14.472 1.00 0.00 C ATOM 260 C GLU A 19 -2.739 -2.147 13.868 1.00 0.00 C ATOM 261 O GLU A 19 -2.092 -3.192 13.952 1.00 0.00 O ATOM 262 CB GLU A 19 -5.192 -2.220 13.378 1.00 0.00 C ATOM 263 CG GLU A 19 -6.560 -2.611 13.910 1.00 0.00 C ATOM 264 CD GLU A 19 -6.616 -4.055 14.370 1.00 0.00 C ATOM 265 OE1 GLU A 19 -5.562 -4.592 14.769 1.00 0.00 O ATOM 266 OE2 GLU A 19 -7.715 -4.648 14.331 1.00 0.00 O ATOM 0 H GLU A 19 -5.155 -0.252 14.868 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.255 -2.834 15.212 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.282 -1.290 12.817 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.852 -2.983 12.678 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.822 -1.958 14.742 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.307 -2.452 13.132 1.00 0.00 H new ATOM 273 N LEU A 20 -2.281 -1.059 13.259 1.00 0.00 N ATOM 274 CA LEU A 20 -0.961 -1.028 12.640 1.00 0.00 C ATOM 275 C LEU A 20 0.115 -1.464 13.630 1.00 0.00 C ATOM 276 O LEU A 20 1.235 -1.797 13.239 1.00 0.00 O ATOM 277 CB LEU A 20 -0.653 0.378 12.121 1.00 0.00 C ATOM 278 CG LEU A 20 -1.705 1.000 11.203 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.505 2.504 11.103 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.654 0.360 9.823 1.00 0.00 C ATOM 0 H LEU A 20 -2.804 -0.187 13.181 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.963 -1.726 11.803 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.512 1.037 12.978 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.295 0.346 11.584 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.689 0.813 11.632 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.263 2.929 10.445 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.593 2.949 12.094 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.515 2.713 10.698 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.410 0.815 9.183 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.667 0.515 9.386 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.848 -0.709 9.910 1.00 0.00 H new ATOM 292 N LEU A 21 -0.232 -1.461 14.912 1.00 0.00 N ATOM 293 CA LEU A 21 0.704 -1.859 15.958 1.00 0.00 C ATOM 294 C LEU A 21 0.640 -3.363 16.203 1.00 0.00 C ATOM 295 O LEU A 21 1.017 -3.844 17.271 1.00 0.00 O ATOM 296 CB LEU A 21 0.399 -1.107 17.255 1.00 0.00 C ATOM 297 CG LEU A 21 0.386 0.419 17.158 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.097 1.033 18.463 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.768 0.943 16.799 1.00 0.00 C ATOM 0 H LEU A 21 -1.154 -1.188 15.252 1.00 0.00 H new ATOM 0 HA LEU A 21 1.711 -1.606 15.626 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.573 -1.436 17.623 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.137 -1.397 18.002 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.306 0.707 16.367 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.099 2.119 18.375 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.107 0.684 18.677 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.569 0.736 19.273 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.739 2.031 16.734 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.481 0.644 17.567 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.075 0.530 15.838 1.00 0.00 H new ATOM 311 N GLU A 22 0.161 -4.100 15.205 1.00 0.00 N ATOM 312 CA GLU A 22 0.049 -5.550 15.313 1.00 0.00 C ATOM 313 C GLU A 22 0.272 -6.215 13.957 1.00 0.00 C ATOM 314 O GLU A 22 -0.323 -5.821 12.955 1.00 0.00 O ATOM 315 CB GLU A 22 -1.324 -5.939 15.864 1.00 0.00 C ATOM 316 CG GLU A 22 -1.530 -5.546 17.318 1.00 0.00 C ATOM 317 CD GLU A 22 -2.994 -5.394 17.680 1.00 0.00 C ATOM 318 OE1 GLU A 22 -3.811 -5.156 16.765 1.00 0.00 O ATOM 319 OE2 GLU A 22 -3.324 -5.515 18.878 1.00 0.00 O ATOM 0 H GLU A 22 -0.155 -3.717 14.314 1.00 0.00 H new ATOM 0 HA GLU A 22 0.820 -5.898 16.001 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.097 -5.468 15.256 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.454 -7.017 15.766 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.077 -6.300 17.962 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.012 -4.607 17.513 1.00 0.00 H new ATOM 326 N GLY A 23 1.134 -7.227 13.935 1.00 0.00 N ATOM 327 CA GLY A 23 1.421 -7.930 12.699 1.00 0.00 C ATOM 328 C GLY A 23 1.913 -7.002 11.605 1.00 0.00 C ATOM 329 O GLY A 23 1.992 -5.789 11.799 1.00 0.00 O ATOM 0 H GLY A 23 1.639 -7.572 14.751 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.173 -8.696 12.887 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.521 -8.443 12.359 1.00 0.00 H new ATOM 333 N ASP A 24 2.247 -7.574 10.453 1.00 0.00 N ATOM 334 CA ASP A 24 2.735 -6.790 9.324 1.00 0.00 C ATOM 335 C ASP A 24 1.610 -5.960 8.713 1.00 0.00 C ATOM 336 O ASP A 24 0.465 -6.404 8.644 1.00 0.00 O ATOM 337 CB ASP A 24 3.342 -7.708 8.263 1.00 0.00 C ATOM 338 CG ASP A 24 4.484 -8.544 8.806 1.00 0.00 C ATOM 339 OD1 ASP A 24 5.572 -7.979 9.043 1.00 0.00 O ATOM 340 OD2 ASP A 24 4.291 -9.764 8.993 1.00 0.00 O ATOM 0 H ASP A 24 2.189 -8.577 10.277 1.00 0.00 H new ATOM 0 HA ASP A 24 3.506 -6.112 9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.567 -8.367 7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.701 -7.106 7.428 1.00 0.00 H new ATOM 345 N TRP A 25 1.946 -4.753 8.272 1.00 0.00 N ATOM 346 CA TRP A 25 0.964 -3.860 7.667 1.00 0.00 C ATOM 347 C TRP A 25 1.614 -2.970 6.613 1.00 0.00 C ATOM 348 O TRP A 25 2.588 -2.271 6.893 1.00 0.00 O ATOM 349 CB TRP A 25 0.299 -2.998 8.741 1.00 0.00 C ATOM 350 CG TRP A 25 -0.837 -3.685 9.435 1.00 0.00 C ATOM 351 CD1 TRP A 25 -0.748 -4.586 10.458 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.233 -3.529 9.156 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.004 -5.000 10.831 1.00 0.00 N ATOM 354 CE2 TRP A 25 -2.932 -4.365 10.049 1.00 0.00 C ATOM 355 CE3 TRP A 25 -2.960 -2.763 8.241 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.321 -4.455 10.050 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.339 -2.854 8.243 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.008 -3.694 9.143 1.00 0.00 C ATOM 0 H TRP A 25 2.890 -4.370 8.322 1.00 0.00 H new ATOM 0 HA TRP A 25 0.204 -4.472 7.180 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.047 -2.711 9.480 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.067 -2.079 8.284 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.174 -4.923 10.908 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.212 -5.671 11.570 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -2.453 -2.111 7.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.839 -5.103 10.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.911 -2.268 7.539 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.087 -3.742 9.121 1.00 0.00 H new ATOM 369 N MET A 26 1.069 -3.000 5.402 1.00 0.00 N ATOM 370 CA MET A 26 1.596 -2.193 4.307 1.00 0.00 C ATOM 371 C MET A 26 0.708 -0.980 4.048 1.00 0.00 C ATOM 372 O MET A 26 -0.416 -1.114 3.563 1.00 0.00 O ATOM 373 CB MET A 26 1.712 -3.035 3.035 1.00 0.00 C ATOM 374 CG MET A 26 3.019 -3.805 2.932 1.00 0.00 C ATOM 375 SD MET A 26 4.455 -2.721 2.817 1.00 0.00 S ATOM 376 CE MET A 26 4.655 -2.612 1.040 1.00 0.00 C ATOM 0 H MET A 26 0.263 -3.574 5.154 1.00 0.00 H new ATOM 0 HA MET A 26 2.587 -1.841 4.593 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.881 -3.740 2.999 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.615 -2.383 2.167 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.125 -4.451 3.803 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.987 -4.453 2.056 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.700 -2.412 0.803 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.353 -3.553 0.581 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.034 -1.804 0.653 1.00 0.00 H new ATOM 386 N ILE A 27 1.219 0.202 4.376 1.00 0.00 N ATOM 387 CA ILE A 27 0.471 1.438 4.178 1.00 0.00 C ATOM 388 C ILE A 27 1.091 2.284 3.072 1.00 0.00 C ATOM 389 O ILE A 27 2.302 2.246 2.853 1.00 0.00 O ATOM 390 CB ILE A 27 0.409 2.271 5.472 1.00 0.00 C ATOM 391 CG1 ILE A 27 -0.070 1.405 6.639 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.507 3.471 5.285 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.289 1.968 7.996 1.00 0.00 C ATOM 0 H ILE A 27 2.147 0.330 4.780 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.541 1.152 3.890 1.00 0.00 H new ATOM 0 HB ILE A 27 1.411 2.635 5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.152 1.292 6.576 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.361 0.409 6.542 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.541 4.050 6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.127 4.097 4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.511 3.127 5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.082 1.303 8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.372 2.056 8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.165 2.952 8.113 1.00 0.00 H new ATOM 405 N GLU A 28 0.253 3.048 2.378 1.00 0.00 N ATOM 406 CA GLU A 28 0.720 3.904 1.294 1.00 0.00 C ATOM 407 C GLU A 28 -0.059 5.216 1.264 1.00 0.00 C ATOM 408 O GLU A 28 -1.224 5.250 0.868 1.00 0.00 O ATOM 409 CB GLU A 28 0.583 3.185 -0.049 1.00 0.00 C ATOM 410 CG GLU A 28 -0.848 2.803 -0.392 1.00 0.00 C ATOM 411 CD GLU A 28 -1.550 3.858 -1.224 1.00 0.00 C ATOM 412 OE1 GLU A 28 -0.853 4.630 -1.915 1.00 0.00 O ATOM 413 OE2 GLU A 28 -2.797 3.913 -1.183 1.00 0.00 O ATOM 0 H GLU A 28 -0.752 3.092 2.547 1.00 0.00 H new ATOM 0 HA GLU A 28 1.772 4.130 1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.978 3.826 -0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.197 2.284 -0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.848 1.858 -0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.407 2.641 0.529 1.00 0.00 H new ATOM 420 N PHE A 29 0.594 6.295 1.684 1.00 0.00 N ATOM 421 CA PHE A 29 -0.037 7.609 1.707 1.00 0.00 C ATOM 422 C PHE A 29 -0.202 8.158 0.293 1.00 0.00 C ATOM 423 O PHE A 29 0.779 8.463 -0.385 1.00 0.00 O ATOM 424 CB PHE A 29 0.792 8.582 2.549 1.00 0.00 C ATOM 425 CG PHE A 29 0.701 8.323 4.026 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.447 7.313 4.613 1.00 0.00 C ATOM 427 CD2 PHE A 29 -0.130 9.089 4.827 1.00 0.00 C ATOM 428 CE1 PHE A 29 1.366 7.073 5.971 1.00 0.00 C ATOM 429 CE2 PHE A 29 -0.214 8.854 6.186 1.00 0.00 C ATOM 430 CZ PHE A 29 0.533 7.843 6.759 1.00 0.00 C ATOM 0 H PHE A 29 1.559 6.285 2.013 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.025 7.502 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.836 8.519 2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.460 9.600 2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.099 6.707 4.002 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.719 9.879 4.384 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.954 6.284 6.416 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.863 9.460 6.800 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.466 7.655 7.820 1.00 0.00 H new ATOM 440 N TYR A 30 -1.450 8.279 -0.146 1.00 0.00 N ATOM 441 CA TYR A 30 -1.746 8.787 -1.480 1.00 0.00 C ATOM 442 C TYR A 30 -2.662 10.004 -1.409 1.00 0.00 C ATOM 443 O TYR A 30 -3.186 10.340 -0.347 1.00 0.00 O ATOM 444 CB TYR A 30 -2.395 7.695 -2.333 1.00 0.00 C ATOM 445 CG TYR A 30 -3.876 7.531 -2.080 1.00 0.00 C ATOM 446 CD1 TYR A 30 -4.803 8.361 -2.699 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.350 6.544 -1.224 1.00 0.00 C ATOM 448 CE1 TYR A 30 -6.158 8.214 -2.470 1.00 0.00 C ATOM 449 CE2 TYR A 30 -5.702 6.389 -0.990 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.602 7.227 -1.616 1.00 0.00 C ATOM 451 OH TYR A 30 -7.951 7.077 -1.386 1.00 0.00 O ATOM 0 H TYR A 30 -2.273 8.032 0.403 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.806 9.089 -1.942 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.238 7.927 -3.386 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.894 6.747 -2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.459 9.134 -3.370 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.648 5.886 -0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.865 8.869 -2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.053 5.617 -0.321 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.134 7.186 -0.429 1.00 0.00 H new ATOM 461 N ALA A 31 -2.852 10.662 -2.549 1.00 0.00 N ATOM 462 CA ALA A 31 -3.707 11.840 -2.618 1.00 0.00 C ATOM 463 C ALA A 31 -4.480 11.881 -3.932 1.00 0.00 C ATOM 464 O ALA A 31 -3.947 11.591 -5.003 1.00 0.00 O ATOM 465 CB ALA A 31 -2.877 13.105 -2.452 1.00 0.00 C ATOM 0 H ALA A 31 -2.425 10.398 -3.437 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.429 11.783 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.528 13.977 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.375 13.086 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.133 13.159 -3.246 1.00 0.00 H new ATOM 471 N PRO A 32 -5.767 12.250 -3.850 1.00 0.00 N ATOM 472 CA PRO A 32 -6.641 12.337 -5.024 1.00 0.00 C ATOM 473 C PRO A 32 -6.266 13.496 -5.941 1.00 0.00 C ATOM 474 O PRO A 32 -6.832 13.652 -7.023 1.00 0.00 O ATOM 475 CB PRO A 32 -8.028 12.563 -4.417 1.00 0.00 C ATOM 476 CG PRO A 32 -7.764 13.195 -3.094 1.00 0.00 C ATOM 477 CD PRO A 32 -6.468 12.610 -2.606 1.00 0.00 C ATOM 0 HA PRO A 32 -6.574 11.447 -5.649 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.637 13.209 -5.050 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.569 11.624 -4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.692 14.279 -3.187 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.574 12.988 -2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.899 13.329 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.634 11.739 -1.972 1.00 0.00 H new ATOM 485 N TRP A 33 -5.308 14.305 -5.502 1.00 0.00 N ATOM 486 CA TRP A 33 -4.857 15.450 -6.285 1.00 0.00 C ATOM 487 C TRP A 33 -3.380 15.321 -6.638 1.00 0.00 C ATOM 488 O TRP A 33 -2.717 16.311 -6.947 1.00 0.00 O ATOM 489 CB TRP A 33 -5.098 16.749 -5.514 1.00 0.00 C ATOM 490 CG TRP A 33 -5.090 16.566 -4.026 1.00 0.00 C ATOM 491 CD1 TRP A 33 -6.177 16.487 -3.204 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.938 16.441 -3.185 1.00 0.00 C ATOM 493 NE1 TRP A 33 -5.770 16.321 -1.902 1.00 0.00 N ATOM 494 CE2 TRP A 33 -4.402 16.289 -1.864 1.00 0.00 C ATOM 495 CE3 TRP A 33 -2.560 16.442 -3.419 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -3.536 16.140 -0.784 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -1.702 16.294 -2.346 1.00 0.00 C ATOM 498 CH2 TRP A 33 -2.192 16.144 -1.042 1.00 0.00 C ATOM 0 H TRP A 33 -4.829 14.189 -4.609 1.00 0.00 H new ATOM 0 HA TRP A 33 -5.432 15.473 -7.211 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.331 17.474 -5.788 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -6.057 17.170 -5.816 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -7.205 16.546 -3.529 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -6.387 16.235 -1.095 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.173 16.556 -4.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.912 16.025 0.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.635 16.294 -2.515 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.496 16.029 -0.225 1.00 0.00 H new ATOM 509 N CYS A 34 -2.869 14.095 -6.589 1.00 0.00 N ATOM 510 CA CYS A 34 -1.469 13.837 -6.902 1.00 0.00 C ATOM 511 C CYS A 34 -1.342 12.964 -8.147 1.00 0.00 C ATOM 512 O CYS A 34 -2.026 11.952 -8.297 1.00 0.00 O ATOM 513 CB CYS A 34 -0.775 13.161 -5.718 1.00 0.00 C ATOM 514 SG CYS A 34 0.996 13.505 -5.606 1.00 0.00 S ATOM 0 H CYS A 34 -3.404 13.265 -6.335 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.985 14.793 -7.099 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.256 13.485 -4.795 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.921 12.083 -5.792 1.00 0.00 H new ATOM 0 HG CYS A 34 1.493 12.892 -4.573 1.00 0.00 H new ATOM 520 N PRO A 35 -0.447 13.364 -9.062 1.00 0.00 N ATOM 521 CA PRO A 35 -0.211 12.634 -10.311 1.00 0.00 C ATOM 522 C PRO A 35 0.481 11.295 -10.077 1.00 0.00 C ATOM 523 O PRO A 35 0.105 10.280 -10.662 1.00 0.00 O ATOM 524 CB PRO A 35 0.699 13.574 -11.105 1.00 0.00 C ATOM 525 CG PRO A 35 1.389 14.397 -10.072 1.00 0.00 C ATOM 526 CD PRO A 35 0.403 14.561 -8.948 1.00 0.00 C ATOM 0 HA PRO A 35 -1.142 12.388 -10.822 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.414 13.016 -11.709 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.123 14.198 -11.789 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.298 13.906 -9.725 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.684 15.365 -10.477 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.902 14.609 -7.980 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.178 15.478 -9.053 1.00 0.00 H new ATOM 534 N ALA A 36 1.495 11.300 -9.217 1.00 0.00 N ATOM 535 CA ALA A 36 2.238 10.086 -8.904 1.00 0.00 C ATOM 536 C ALA A 36 1.304 8.980 -8.423 1.00 0.00 C ATOM 537 O ALA A 36 1.448 7.821 -8.812 1.00 0.00 O ATOM 538 CB ALA A 36 3.302 10.374 -7.856 1.00 0.00 C ATOM 0 H ALA A 36 1.820 12.132 -8.725 1.00 0.00 H new ATOM 0 HA ALA A 36 2.726 9.743 -9.816 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.849 9.458 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.993 11.126 -8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.827 10.744 -6.948 1.00 0.00 H new ATOM 544 N CYS A 37 0.349 9.346 -7.575 1.00 0.00 N ATOM 545 CA CYS A 37 -0.608 8.384 -7.039 1.00 0.00 C ATOM 546 C CYS A 37 -1.434 7.758 -8.158 1.00 0.00 C ATOM 547 O CYS A 37 -1.762 6.573 -8.111 1.00 0.00 O ATOM 548 CB CYS A 37 -1.530 9.062 -6.026 1.00 0.00 C ATOM 549 SG CYS A 37 -3.139 8.257 -5.838 1.00 0.00 S ATOM 0 H CYS A 37 0.217 10.302 -7.244 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.050 7.593 -6.538 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.032 9.086 -5.057 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.687 10.097 -6.329 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.592 8.468 -4.638 1.00 0.00 H new ATOM 555 N GLN A 38 -1.768 8.563 -9.162 1.00 0.00 N ATOM 556 CA GLN A 38 -2.558 8.088 -10.291 1.00 0.00 C ATOM 557 C GLN A 38 -1.885 6.895 -10.963 1.00 0.00 C ATOM 558 O GLN A 38 -2.524 6.144 -11.699 1.00 0.00 O ATOM 559 CB GLN A 38 -2.761 9.213 -11.308 1.00 0.00 C ATOM 560 CG GLN A 38 -3.265 10.507 -10.691 1.00 0.00 C ATOM 561 CD GLN A 38 -4.776 10.624 -10.732 1.00 0.00 C ATOM 562 OE1 GLN A 38 -5.458 9.797 -11.339 1.00 0.00 O ATOM 563 NE2 GLN A 38 -5.309 11.654 -10.085 1.00 0.00 N ATOM 0 H GLN A 38 -1.504 9.547 -9.216 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.529 7.769 -9.913 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.817 9.406 -11.817 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.470 8.882 -12.067 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.928 10.567 -9.656 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.825 11.353 -11.219 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.707 12.315 -9.595 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.321 11.784 -10.078 1.00 0.00 H new ATOM 572 N ASN A 39 -0.593 6.728 -10.703 1.00 0.00 N ATOM 573 CA ASN A 39 0.167 5.626 -11.284 1.00 0.00 C ATOM 574 C ASN A 39 0.256 4.455 -10.310 1.00 0.00 C ATOM 575 O ASN A 39 0.317 3.295 -10.721 1.00 0.00 O ATOM 576 CB ASN A 39 1.572 6.094 -11.666 1.00 0.00 C ATOM 577 CG ASN A 39 1.634 6.645 -13.078 1.00 0.00 C ATOM 578 OD1 ASN A 39 1.005 6.112 -13.992 1.00 0.00 O ATOM 579 ND2 ASN A 39 2.396 7.717 -13.261 1.00 0.00 N ATOM 0 H ASN A 39 -0.050 7.341 -10.094 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.353 5.291 -12.181 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.900 6.861 -10.965 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.268 5.260 -11.574 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.478 8.132 -14.189 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.900 8.125 -12.473 1.00 0.00 H new ATOM 586 N LEU A 40 0.262 4.765 -9.019 1.00 0.00 N ATOM 587 CA LEU A 40 0.343 3.738 -7.985 1.00 0.00 C ATOM 588 C LEU A 40 -1.016 3.082 -7.763 1.00 0.00 C ATOM 589 O LEU A 40 -1.096 1.903 -7.417 1.00 0.00 O ATOM 590 CB LEU A 40 0.850 4.344 -6.675 1.00 0.00 C ATOM 591 CG LEU A 40 1.180 3.351 -5.560 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.409 2.532 -5.923 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.393 4.081 -4.242 1.00 0.00 C ATOM 0 H LEU A 40 0.212 5.719 -8.662 1.00 0.00 H new ATOM 0 HA LEU A 40 1.045 2.974 -8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.745 4.928 -6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.097 5.039 -6.304 1.00 0.00 H new ATOM 0 HG LEU A 40 0.336 2.671 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.629 1.831 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.220 1.980 -6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.260 3.198 -6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.627 3.359 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.219 4.785 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.486 4.623 -3.976 1.00 0.00 H new ATOM 605 N GLN A 41 -2.080 3.852 -7.966 1.00 0.00 N ATOM 606 CA GLN A 41 -3.435 3.344 -7.788 1.00 0.00 C ATOM 607 C GLN A 41 -3.537 1.893 -8.250 1.00 0.00 C ATOM 608 O GLN A 41 -3.923 1.002 -7.494 1.00 0.00 O ATOM 609 CB GLN A 41 -4.432 4.209 -8.561 1.00 0.00 C ATOM 610 CG GLN A 41 -4.998 5.360 -7.746 1.00 0.00 C ATOM 611 CD GLN A 41 -5.431 4.934 -6.357 1.00 0.00 C ATOM 612 OE1 GLN A 41 -4.507 4.990 -5.406 1.00 0.00 O flip ATOM 613 NE2 GLN A 41 -6.584 4.559 -6.142 1.00 0.00 N flip ATOM 0 H GLN A 41 -2.030 4.829 -8.254 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.676 3.386 -6.726 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.941 4.610 -9.448 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.253 3.581 -8.907 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.247 6.146 -7.663 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.851 5.788 -8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.262 4.532 -6.904 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.861 4.276 -5.202 1.00 0.00 H new ATOM 622 N PRO A 42 -3.184 1.650 -9.521 1.00 0.00 N ATOM 623 CA PRO A 42 -3.227 0.309 -10.112 1.00 0.00 C ATOM 624 C PRO A 42 -2.159 -0.613 -9.535 1.00 0.00 C ATOM 625 O PRO A 42 -2.436 -1.764 -9.200 1.00 0.00 O ATOM 626 CB PRO A 42 -2.966 0.568 -11.597 1.00 0.00 C ATOM 627 CG PRO A 42 -2.201 1.846 -11.631 1.00 0.00 C ATOM 628 CD PRO A 42 -2.714 2.665 -10.479 1.00 0.00 C ATOM 0 HA PRO A 42 -4.173 -0.194 -9.913 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.397 -0.246 -12.047 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.899 0.650 -12.154 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.131 1.663 -11.534 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.351 2.366 -12.577 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.931 3.290 -10.050 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.520 3.331 -10.787 1.00 0.00 H new ATOM 636 N GLU A 43 -0.938 -0.099 -9.422 1.00 0.00 N ATOM 637 CA GLU A 43 0.171 -0.879 -8.885 1.00 0.00 C ATOM 638 C GLU A 43 -0.194 -1.487 -7.534 1.00 0.00 C ATOM 639 O GLU A 43 0.199 -2.611 -7.222 1.00 0.00 O ATOM 640 CB GLU A 43 1.417 -0.002 -8.742 1.00 0.00 C ATOM 641 CG GLU A 43 2.304 0.001 -9.976 1.00 0.00 C ATOM 642 CD GLU A 43 1.762 0.886 -11.081 1.00 0.00 C ATOM 643 OE1 GLU A 43 0.819 0.457 -11.777 1.00 0.00 O ATOM 644 OE2 GLU A 43 2.283 2.009 -11.250 1.00 0.00 O ATOM 0 H GLU A 43 -0.692 0.853 -9.695 1.00 0.00 H new ATOM 0 HA GLU A 43 0.383 -1.689 -9.582 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.108 1.020 -8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.999 -0.348 -7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.302 0.340 -9.700 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.405 -1.018 -10.349 1.00 0.00 H new ATOM 651 N TRP A 44 -0.947 -0.736 -6.739 1.00 0.00 N ATOM 652 CA TRP A 44 -1.365 -1.201 -5.421 1.00 0.00 C ATOM 653 C TRP A 44 -2.374 -2.337 -5.539 1.00 0.00 C ATOM 654 O TRP A 44 -2.125 -3.451 -5.079 1.00 0.00 O ATOM 655 CB TRP A 44 -1.969 -0.047 -4.619 1.00 0.00 C ATOM 656 CG TRP A 44 -1.815 -0.209 -3.137 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.808 -0.175 -2.201 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.594 -0.427 -2.421 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.279 -0.360 -0.946 1.00 0.00 N ATOM 660 CE2 TRP A 44 -0.922 -0.517 -1.055 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.744 -0.557 -2.802 1.00 0.00 C ATOM 662 CZ2 TRP A 44 0.039 -0.730 -0.071 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.698 -0.768 -1.824 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.342 -0.853 -0.472 1.00 0.00 C ATOM 0 H TRP A 44 -1.281 0.196 -6.983 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.484 -1.576 -4.899 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.497 0.886 -4.926 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.029 0.038 -4.860 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.856 -0.025 -2.415 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.810 -0.378 -0.075 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.028 -0.494 -3.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.234 -0.796 0.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.735 -0.869 -2.107 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.110 -1.019 0.268 1.00 0.00 H new ATOM 675 N GLU A 45 -3.514 -2.049 -6.159 1.00 0.00 N ATOM 676 CA GLU A 45 -4.561 -3.049 -6.337 1.00 0.00 C ATOM 677 C GLU A 45 -3.965 -4.393 -6.744 1.00 0.00 C ATOM 678 O GLU A 45 -4.323 -5.435 -6.194 1.00 0.00 O ATOM 679 CB GLU A 45 -5.567 -2.584 -7.392 1.00 0.00 C ATOM 680 CG GLU A 45 -6.658 -1.683 -6.837 1.00 0.00 C ATOM 681 CD GLU A 45 -7.779 -1.445 -7.830 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.530 -1.573 -9.047 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.905 -1.131 -7.390 1.00 0.00 O ATOM 0 H GLU A 45 -3.736 -1.132 -6.546 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.076 -3.173 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.034 -2.052 -8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.028 -3.458 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.068 -2.131 -5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.223 -0.726 -6.550 1.00 0.00 H new ATOM 690 N SER A 46 -3.055 -4.362 -7.712 1.00 0.00 N ATOM 691 CA SER A 46 -2.413 -5.578 -8.197 1.00 0.00 C ATOM 692 C SER A 46 -1.598 -6.240 -7.090 1.00 0.00 C ATOM 693 O SER A 46 -1.467 -7.463 -7.047 1.00 0.00 O ATOM 694 CB SER A 46 -1.510 -5.262 -9.391 1.00 0.00 C ATOM 695 OG SER A 46 -2.275 -5.043 -10.564 1.00 0.00 O ATOM 0 H SER A 46 -2.746 -3.508 -8.176 1.00 0.00 H new ATOM 0 HA SER A 46 -3.193 -6.270 -8.514 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.910 -4.378 -9.174 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.816 -6.086 -9.554 1.00 0.00 H new ATOM 0 HG SER A 46 -1.676 -4.841 -11.313 1.00 0.00 H new ATOM 701 N PHE A 47 -1.051 -5.422 -6.197 1.00 0.00 N ATOM 702 CA PHE A 47 -0.247 -5.926 -5.090 1.00 0.00 C ATOM 703 C PHE A 47 -1.124 -6.621 -4.053 1.00 0.00 C ATOM 704 O PHE A 47 -0.877 -7.769 -3.683 1.00 0.00 O ATOM 705 CB PHE A 47 0.530 -4.783 -4.434 1.00 0.00 C ATOM 706 CG PHE A 47 0.870 -5.039 -2.993 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.178 -6.317 -2.556 1.00 0.00 C ATOM 708 CD2 PHE A 47 0.881 -4.001 -2.075 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.492 -6.556 -1.232 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.194 -4.233 -0.749 1.00 0.00 C ATOM 711 CZ PHE A 47 1.498 -5.513 -0.327 1.00 0.00 C ATOM 0 H PHE A 47 -1.150 -4.407 -6.218 1.00 0.00 H new ATOM 0 HA PHE A 47 0.459 -6.654 -5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.451 -4.613 -4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.058 -3.868 -4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.173 -7.137 -3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.642 -2.999 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.732 -7.557 -0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.201 -3.415 -0.044 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.740 -5.698 0.709 1.00 0.00 H new ATOM 721 N ALA A 48 -2.150 -5.916 -3.587 1.00 0.00 N ATOM 722 CA ALA A 48 -3.066 -6.464 -2.594 1.00 0.00 C ATOM 723 C ALA A 48 -3.588 -7.831 -3.024 1.00 0.00 C ATOM 724 O ALA A 48 -4.096 -8.596 -2.206 1.00 0.00 O ATOM 725 CB ALA A 48 -4.224 -5.506 -2.358 1.00 0.00 C ATOM 0 H ALA A 48 -2.368 -4.964 -3.881 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.517 -6.590 -1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.900 -5.928 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.839 -4.552 -1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.764 -5.351 -3.292 1.00 0.00 H new ATOM 731 N GLU A 49 -3.459 -8.130 -4.313 1.00 0.00 N ATOM 732 CA GLU A 49 -3.919 -9.405 -4.851 1.00 0.00 C ATOM 733 C GLU A 49 -3.233 -10.572 -4.147 1.00 0.00 C ATOM 734 O GLU A 49 -3.893 -11.447 -3.585 1.00 0.00 O ATOM 735 CB GLU A 49 -3.654 -9.475 -6.356 1.00 0.00 C ATOM 736 CG GLU A 49 -4.401 -8.422 -7.156 1.00 0.00 C ATOM 737 CD GLU A 49 -4.343 -8.673 -8.650 1.00 0.00 C ATOM 738 OE1 GLU A 49 -3.392 -9.346 -9.101 1.00 0.00 O ATOM 739 OE2 GLU A 49 -5.247 -8.198 -9.368 1.00 0.00 O ATOM 0 H GLU A 49 -3.040 -7.507 -5.004 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.992 -9.478 -4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.584 -9.363 -6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.936 -10.463 -6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.443 -8.399 -6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.979 -7.440 -6.940 1.00 0.00 H new ATOM 746 N TRP A 50 -1.906 -10.579 -4.183 1.00 0.00 N ATOM 747 CA TRP A 50 -1.129 -11.638 -3.549 1.00 0.00 C ATOM 748 C TRP A 50 -0.726 -11.245 -2.132 1.00 0.00 C ATOM 749 O TRP A 50 -0.070 -12.012 -1.428 1.00 0.00 O ATOM 750 CB TRP A 50 0.117 -11.952 -4.379 1.00 0.00 C ATOM 751 CG TRP A 50 0.909 -10.733 -4.744 1.00 0.00 C ATOM 752 CD1 TRP A 50 0.963 -10.126 -5.966 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.762 -9.975 -3.879 1.00 0.00 C ATOM 754 NE1 TRP A 50 1.798 -9.036 -5.913 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.300 -8.921 -4.644 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.122 -10.082 -2.533 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.179 -7.984 -4.106 1.00 0.00 C ATOM 758 CZ3 TRP A 50 2.994 -9.151 -2.001 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.514 -8.113 -2.785 1.00 0.00 C ATOM 0 H TRP A 50 -1.345 -9.863 -4.645 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.754 -12.529 -3.494 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.754 -12.637 -3.820 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.183 -12.468 -5.291 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.428 -10.454 -6.845 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.010 -8.413 -6.693 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.726 -10.878 -1.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.582 -7.184 -4.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.280 -9.225 -0.962 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.192 -7.401 -2.339 1.00 0.00 H new ATOM 770 N GLY A 51 -1.124 -10.045 -1.720 1.00 0.00 N ATOM 771 CA GLY A 51 -0.794 -9.572 -0.388 1.00 0.00 C ATOM 772 C GLY A 51 -1.116 -10.592 0.686 1.00 0.00 C ATOM 773 O GLY A 51 -0.215 -11.194 1.268 1.00 0.00 O ATOM 0 H GLY A 51 -1.668 -9.393 -2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.267 -9.327 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.342 -8.652 -0.187 1.00 0.00 H new ATOM 777 N GLU A 52 -2.405 -10.784 0.949 1.00 0.00 N ATOM 778 CA GLU A 52 -2.843 -11.737 1.963 1.00 0.00 C ATOM 779 C GLU A 52 -2.262 -13.122 1.695 1.00 0.00 C ATOM 780 O GLU A 52 -2.115 -13.933 2.609 1.00 0.00 O ATOM 781 CB GLU A 52 -4.371 -11.810 2.000 1.00 0.00 C ATOM 782 CG GLU A 52 -4.976 -12.499 0.788 1.00 0.00 C ATOM 783 CD GLU A 52 -4.917 -11.641 -0.461 1.00 0.00 C ATOM 784 OE1 GLU A 52 -3.826 -11.536 -1.059 1.00 0.00 O ATOM 785 OE2 GLU A 52 -5.964 -11.074 -0.840 1.00 0.00 O ATOM 0 H GLU A 52 -3.163 -10.293 0.475 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.480 -11.391 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.679 -12.340 2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.773 -10.799 2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.449 -13.435 0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.014 -12.754 1.000 1.00 0.00 H new ATOM 792 N ASP A 53 -1.935 -13.386 0.435 1.00 0.00 N ATOM 793 CA ASP A 53 -1.370 -14.672 0.045 1.00 0.00 C ATOM 794 C ASP A 53 0.015 -14.865 0.654 1.00 0.00 C ATOM 795 O ASP A 53 0.400 -15.980 1.010 1.00 0.00 O ATOM 796 CB ASP A 53 -1.289 -14.777 -1.479 1.00 0.00 C ATOM 797 CG ASP A 53 -2.492 -15.481 -2.075 1.00 0.00 C ATOM 798 OD1 ASP A 53 -3.628 -15.166 -1.664 1.00 0.00 O ATOM 799 OD2 ASP A 53 -2.297 -16.348 -2.953 1.00 0.00 O ATOM 0 H ASP A 53 -2.052 -12.726 -0.334 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.025 -15.457 0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.209 -13.777 -1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.383 -15.315 -1.756 1.00 0.00 H new ATOM 804 N LEU A 54 0.762 -13.772 0.771 1.00 0.00 N ATOM 805 CA LEU A 54 2.105 -13.820 1.337 1.00 0.00 C ATOM 806 C LEU A 54 2.071 -13.583 2.844 1.00 0.00 C ATOM 807 O LEU A 54 3.110 -13.401 3.476 1.00 0.00 O ATOM 808 CB LEU A 54 3.000 -12.776 0.666 1.00 0.00 C ATOM 809 CG LEU A 54 3.283 -12.991 -0.821 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.168 -11.879 -1.363 1.00 0.00 C ATOM 811 CD2 LEU A 54 3.931 -14.349 -1.050 1.00 0.00 C ATOM 0 H LEU A 54 0.460 -12.842 0.481 1.00 0.00 H new ATOM 0 HA LEU A 54 2.514 -14.814 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.537 -11.797 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.952 -12.748 1.196 1.00 0.00 H new ATOM 0 HG LEU A 54 2.335 -12.967 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.358 -12.049 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.667 -10.920 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.114 -11.870 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.125 -14.485 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.871 -14.401 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.262 -15.135 -0.700 1.00 0.00 H new ATOM 823 N GLU A 55 0.868 -13.590 3.411 1.00 0.00 N ATOM 824 CA GLU A 55 0.700 -13.378 4.844 1.00 0.00 C ATOM 825 C GLU A 55 1.026 -11.935 5.222 1.00 0.00 C ATOM 826 O GLU A 55 1.863 -11.683 6.089 1.00 0.00 O ATOM 827 CB GLU A 55 1.592 -14.338 5.633 1.00 0.00 C ATOM 828 CG GLU A 55 1.035 -14.703 6.999 1.00 0.00 C ATOM 829 CD GLU A 55 1.949 -15.633 7.772 1.00 0.00 C ATOM 830 OE1 GLU A 55 2.969 -15.152 8.308 1.00 0.00 O ATOM 831 OE2 GLU A 55 1.644 -16.842 7.841 1.00 0.00 O ATOM 0 H GLU A 55 -0.003 -13.740 2.901 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.342 -13.575 5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.733 -15.250 5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.575 -13.885 5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.876 -13.793 7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.061 -15.177 6.875 1.00 0.00 H new ATOM 838 N VAL A 56 0.358 -10.992 4.565 1.00 0.00 N ATOM 839 CA VAL A 56 0.575 -9.575 4.832 1.00 0.00 C ATOM 840 C VAL A 56 -0.694 -8.768 4.585 1.00 0.00 C ATOM 841 O VAL A 56 -1.441 -9.040 3.645 1.00 0.00 O ATOM 842 CB VAL A 56 1.710 -9.007 3.958 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.173 -8.571 2.604 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.398 -7.850 4.666 1.00 0.00 C ATOM 0 H VAL A 56 -0.338 -11.184 3.844 1.00 0.00 H new ATOM 0 HA VAL A 56 0.857 -9.490 5.882 1.00 0.00 H new ATOM 0 HB VAL A 56 2.448 -9.793 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.988 -8.173 2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.730 -9.427 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.415 -7.800 2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.197 -7.461 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.673 -7.060 4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.818 -8.199 5.609 1.00 0.00 H new ATOM 854 N ASN A 57 -0.933 -7.775 5.435 1.00 0.00 N ATOM 855 CA ASN A 57 -2.113 -6.928 5.309 1.00 0.00 C ATOM 856 C ASN A 57 -1.769 -5.618 4.606 1.00 0.00 C ATOM 857 O ASN A 57 -0.749 -4.994 4.898 1.00 0.00 O ATOM 858 CB ASN A 57 -2.708 -6.638 6.688 1.00 0.00 C ATOM 859 CG ASN A 57 -2.814 -7.884 7.545 1.00 0.00 C ATOM 860 OD1 ASN A 57 -3.696 -8.718 7.341 1.00 0.00 O ATOM 861 ND2 ASN A 57 -1.913 -8.016 8.512 1.00 0.00 N ATOM 0 H ASN A 57 -0.325 -7.537 6.219 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.850 -7.461 4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.090 -5.900 7.199 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.698 -6.197 6.568 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.935 -8.834 9.121 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.199 -7.300 8.645 1.00 0.00 H new ATOM 868 N ILE A 58 -2.628 -5.208 3.678 1.00 0.00 N ATOM 869 CA ILE A 58 -2.417 -3.972 2.935 1.00 0.00 C ATOM 870 C ILE A 58 -3.516 -2.957 3.231 1.00 0.00 C ATOM 871 O ILE A 58 -4.696 -3.302 3.281 1.00 0.00 O ATOM 872 CB ILE A 58 -2.367 -4.229 1.417 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.256 -5.227 1.084 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.158 -2.924 0.665 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.693 -6.672 1.177 1.00 0.00 C ATOM 0 H ILE A 58 -3.476 -5.714 3.423 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.457 -3.570 3.259 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.320 -4.656 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.892 -5.030 0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.418 -5.065 1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.125 -3.123 -0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.981 -2.243 0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.218 -2.470 0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.855 -7.322 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.029 -6.886 2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.511 -6.850 0.479 1.00 0.00 H new ATOM 887 N ALA A 59 -3.120 -1.704 3.426 1.00 0.00 N ATOM 888 CA ALA A 59 -4.071 -0.638 3.713 1.00 0.00 C ATOM 889 C ALA A 59 -3.649 0.669 3.049 1.00 0.00 C ATOM 890 O ALA A 59 -2.460 0.920 2.850 1.00 0.00 O ATOM 891 CB ALA A 59 -4.212 -0.447 5.216 1.00 0.00 C ATOM 0 H ALA A 59 -2.146 -1.402 3.390 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.038 -0.928 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.925 0.352 5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.568 -1.373 5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.244 -0.184 5.642 1.00 0.00 H new ATOM 897 N LYS A 60 -4.630 1.498 2.708 1.00 0.00 N ATOM 898 CA LYS A 60 -4.361 2.779 2.067 1.00 0.00 C ATOM 899 C LYS A 60 -4.838 3.935 2.940 1.00 0.00 C ATOM 900 O LYS A 60 -5.957 3.917 3.455 1.00 0.00 O ATOM 901 CB LYS A 60 -5.045 2.842 0.700 1.00 0.00 C ATOM 902 CG LYS A 60 -6.535 3.131 0.778 1.00 0.00 C ATOM 903 CD LYS A 60 -7.239 2.783 -0.523 1.00 0.00 C ATOM 904 CE LYS A 60 -8.746 2.694 -0.334 1.00 0.00 C ATOM 905 NZ LYS A 60 -9.448 2.400 -1.614 1.00 0.00 N ATOM 0 H LYS A 60 -5.619 1.305 2.865 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.283 2.870 1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.565 3.613 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.894 1.894 0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.975 2.560 1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.691 4.185 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.009 3.537 -1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.862 1.832 -0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.976 1.915 0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.117 3.633 0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.473 2.347 -1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.250 3.156 -2.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.113 1.491 -1.993 1.00 0.00 H new ATOM 919 N VAL A 61 -3.984 4.941 3.102 1.00 0.00 N ATOM 920 CA VAL A 61 -4.320 6.106 3.911 1.00 0.00 C ATOM 921 C VAL A 61 -4.503 7.345 3.041 1.00 0.00 C ATOM 922 O VAL A 61 -3.931 7.443 1.955 1.00 0.00 O ATOM 923 CB VAL A 61 -3.234 6.389 4.966 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.350 7.815 5.483 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.328 5.390 6.109 1.00 0.00 C ATOM 0 H VAL A 61 -3.054 4.972 2.683 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.258 5.879 4.418 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.257 6.277 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.575 7.996 6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.229 8.513 4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.330 7.959 5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.553 5.605 6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.308 5.468 6.580 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.190 4.380 5.722 1.00 0.00 H new ATOM 935 N ASP A 62 -5.302 8.288 3.525 1.00 0.00 N ATOM 936 CA ASP A 62 -5.560 9.523 2.792 1.00 0.00 C ATOM 937 C ASP A 62 -4.999 10.727 3.542 1.00 0.00 C ATOM 938 O ASP A 62 -5.202 10.870 4.748 1.00 0.00 O ATOM 939 CB ASP A 62 -7.062 9.702 2.565 1.00 0.00 C ATOM 940 CG ASP A 62 -7.774 8.383 2.337 1.00 0.00 C ATOM 941 OD1 ASP A 62 -7.189 7.499 1.677 1.00 0.00 O ATOM 942 OD2 ASP A 62 -8.917 8.236 2.819 1.00 0.00 O ATOM 0 H ASP A 62 -5.783 8.222 4.422 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.060 9.455 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.500 10.203 3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.222 10.351 1.704 1.00 0.00 H new ATOM 947 N VAL A 63 -4.291 11.590 2.820 1.00 0.00 N ATOM 948 CA VAL A 63 -3.701 12.782 3.416 1.00 0.00 C ATOM 949 C VAL A 63 -4.680 13.950 3.395 1.00 0.00 C ATOM 950 O VAL A 63 -4.390 15.029 3.914 1.00 0.00 O ATOM 951 CB VAL A 63 -2.410 13.195 2.685 1.00 0.00 C ATOM 952 CG1 VAL A 63 -1.332 12.137 2.864 1.00 0.00 C ATOM 953 CG2 VAL A 63 -2.689 13.439 1.209 1.00 0.00 C ATOM 0 H VAL A 63 -4.112 11.485 1.821 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.461 12.533 4.449 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.048 14.125 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.428 12.447 2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.114 12.016 3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.681 11.189 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.766 13.730 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.076 12.526 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.425 14.236 1.105 1.00 0.00 H new ATOM 963 N THR A 64 -5.844 13.729 2.792 1.00 0.00 N ATOM 964 CA THR A 64 -6.867 14.763 2.702 1.00 0.00 C ATOM 965 C THR A 64 -8.092 14.398 3.534 1.00 0.00 C ATOM 966 O THR A 64 -8.738 15.268 4.116 1.00 0.00 O ATOM 967 CB THR A 64 -7.303 14.996 1.243 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.682 15.379 1.199 1.00 0.00 O ATOM 969 CG2 THR A 64 -7.093 13.742 0.408 1.00 0.00 C ATOM 0 H THR A 64 -6.102 12.842 2.358 1.00 0.00 H new ATOM 0 HA THR A 64 -6.425 15.680 3.093 1.00 0.00 H new ATOM 0 HB THR A 64 -6.690 15.796 0.828 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.951 15.527 0.268 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.408 13.931 -0.618 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.038 13.470 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.683 12.925 0.824 1.00 0.00 H new ATOM 977 N GLU A 65 -8.404 13.107 3.585 1.00 0.00 N ATOM 978 CA GLU A 65 -9.552 12.629 4.347 1.00 0.00 C ATOM 979 C GLU A 65 -9.170 12.368 5.801 1.00 0.00 C ATOM 980 O GLU A 65 -10.002 12.477 6.700 1.00 0.00 O ATOM 981 CB GLU A 65 -10.113 11.352 3.718 1.00 0.00 C ATOM 982 CG GLU A 65 -10.379 11.473 2.227 1.00 0.00 C ATOM 983 CD GLU A 65 -11.253 10.353 1.698 1.00 0.00 C ATOM 984 OE1 GLU A 65 -12.441 10.297 2.080 1.00 0.00 O ATOM 985 OE2 GLU A 65 -10.750 9.533 0.902 1.00 0.00 O ATOM 0 H GLU A 65 -7.879 12.374 3.108 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.319 13.404 4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.412 10.535 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.041 11.086 4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.859 12.430 2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.430 11.472 1.691 1.00 0.00 H new ATOM 992 N GLN A 66 -7.905 12.024 6.021 1.00 0.00 N ATOM 993 CA GLN A 66 -7.413 11.746 7.366 1.00 0.00 C ATOM 994 C GLN A 66 -6.420 12.813 7.813 1.00 0.00 C ATOM 995 O GLN A 66 -5.205 12.660 7.681 1.00 0.00 O ATOM 996 CB GLN A 66 -6.754 10.366 7.415 1.00 0.00 C ATOM 997 CG GLN A 66 -7.571 9.277 6.739 1.00 0.00 C ATOM 998 CD GLN A 66 -9.062 9.545 6.797 1.00 0.00 C ATOM 999 OE1 GLN A 66 -9.752 9.501 5.779 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -9.567 9.824 7.993 1.00 0.00 N ATOM 0 H GLN A 66 -7.203 11.931 5.287 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.264 11.759 8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.775 10.423 6.939 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.586 10.089 8.456 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.262 9.190 5.697 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.359 8.320 7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.958 9.850 8.811 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.564 10.013 8.094 1.00 0.00 H new ATOM 1009 N PRO A 67 -6.946 13.922 8.355 1.00 0.00 N ATOM 1010 CA PRO A 67 -6.122 15.036 8.833 1.00 0.00 C ATOM 1011 C PRO A 67 -5.334 14.678 10.088 1.00 0.00 C ATOM 1012 O PRO A 67 -4.497 15.453 10.549 1.00 0.00 O ATOM 1013 CB PRO A 67 -7.149 16.129 9.140 1.00 0.00 C ATOM 1014 CG PRO A 67 -8.414 15.393 9.420 1.00 0.00 C ATOM 1015 CD PRO A 67 -8.384 14.172 8.544 1.00 0.00 C ATOM 0 HA PRO A 67 -5.370 15.331 8.101 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.843 16.730 9.996 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.266 16.810 8.297 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.480 15.117 10.472 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.283 16.012 9.197 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.880 13.325 9.018 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.890 14.347 7.594 1.00 0.00 H new ATOM 1023 N GLY A 68 -5.608 13.499 10.637 1.00 0.00 N ATOM 1024 CA GLY A 68 -4.915 13.059 11.834 1.00 0.00 C ATOM 1025 C GLY A 68 -3.749 12.141 11.525 1.00 0.00 C ATOM 1026 O GLY A 68 -2.678 12.264 12.121 1.00 0.00 O ATOM 0 H GLY A 68 -6.297 12.840 10.274 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.553 13.929 12.381 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.618 12.542 12.487 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.956 11.218 10.592 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.913 10.274 10.206 1.00 0.00 C ATOM 1032 C LEU A 69 -1.745 10.995 9.540 1.00 0.00 C ATOM 1033 O LEU A 69 -0.583 10.661 9.772 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.481 9.216 9.258 1.00 0.00 C ATOM 1035 CG LEU A 69 -4.177 8.027 9.920 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -4.910 7.192 8.881 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -3.171 7.174 10.678 1.00 0.00 C ATOM 0 H LEU A 69 -4.836 11.103 10.089 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.547 9.785 11.109 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.192 9.701 8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.668 8.837 8.639 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.908 8.409 10.632 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.400 6.350 9.370 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.659 7.807 8.382 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.198 6.820 8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.685 6.332 11.143 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.416 6.801 9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.691 7.777 11.449 1.00 0.00 H new ATOM 1049 N SER A 70 -2.062 11.987 8.714 1.00 0.00 N ATOM 1050 CA SER A 70 -1.039 12.754 8.014 1.00 0.00 C ATOM 1051 C SER A 70 0.042 13.228 8.980 1.00 0.00 C ATOM 1052 O SER A 70 1.225 12.951 8.790 1.00 0.00 O ATOM 1053 CB SER A 70 -1.669 13.956 7.306 1.00 0.00 C ATOM 1054 OG SER A 70 -2.445 13.544 6.195 1.00 0.00 O ATOM 0 H SER A 70 -3.019 12.278 8.513 1.00 0.00 H new ATOM 0 HA SER A 70 -0.577 12.104 7.271 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.296 14.507 8.007 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.886 14.638 6.974 1.00 0.00 H new ATOM 0 HG SER A 70 -3.330 13.258 6.503 1.00 0.00 H new ATOM 1060 N GLY A 71 -0.375 13.945 10.019 1.00 0.00 N ATOM 1061 CA GLY A 71 0.569 14.447 11.001 1.00 0.00 C ATOM 1062 C GLY A 71 1.145 13.345 11.867 1.00 0.00 C ATOM 1063 O GLY A 71 2.287 13.434 12.318 1.00 0.00 O ATOM 0 H GLY A 71 -1.349 14.187 10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.380 14.964 10.489 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.073 15.181 11.635 1.00 0.00 H new ATOM 1067 N ARG A 72 0.354 12.303 12.101 1.00 0.00 N ATOM 1068 CA ARG A 72 0.792 11.180 12.922 1.00 0.00 C ATOM 1069 C ARG A 72 2.086 10.581 12.378 1.00 0.00 C ATOM 1070 O ARG A 72 2.884 10.019 13.127 1.00 0.00 O ATOM 1071 CB ARG A 72 -0.296 10.106 12.976 1.00 0.00 C ATOM 1072 CG ARG A 72 0.163 8.805 13.614 1.00 0.00 C ATOM 1073 CD ARG A 72 0.314 8.947 15.121 1.00 0.00 C ATOM 1074 NE ARG A 72 -0.903 9.458 15.747 1.00 0.00 N ATOM 1075 CZ ARG A 72 -1.957 8.701 16.029 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -1.944 7.407 15.744 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -3.028 9.239 16.600 1.00 0.00 N ATOM 0 H ARG A 72 -0.593 12.213 11.734 1.00 0.00 H new ATOM 0 HA ARG A 72 0.979 11.550 13.930 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.149 10.493 13.533 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.643 9.901 11.963 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.556 8.016 13.392 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.115 8.501 13.179 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.565 7.978 15.553 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.144 9.618 15.341 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.945 10.450 15.980 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.123 6.989 15.307 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.755 6.829 15.962 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.042 10.234 16.822 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.837 8.657 16.816 1.00 0.00 H new ATOM 1091 N PHE A 73 2.285 10.706 11.070 1.00 0.00 N ATOM 1092 CA PHE A 73 3.481 10.177 10.425 1.00 0.00 C ATOM 1093 C PHE A 73 4.316 11.301 9.819 1.00 0.00 C ATOM 1094 O PHE A 73 5.474 11.100 9.453 1.00 0.00 O ATOM 1095 CB PHE A 73 3.097 9.169 9.340 1.00 0.00 C ATOM 1096 CG PHE A 73 2.564 7.875 9.885 1.00 0.00 C ATOM 1097 CD1 PHE A 73 1.253 7.780 10.322 1.00 0.00 C ATOM 1098 CD2 PHE A 73 3.374 6.753 9.960 1.00 0.00 C ATOM 1099 CE1 PHE A 73 0.760 6.590 10.824 1.00 0.00 C ATOM 1100 CE2 PHE A 73 2.887 5.561 10.461 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.578 5.479 10.893 1.00 0.00 C ATOM 0 H PHE A 73 1.634 11.169 10.436 1.00 0.00 H new ATOM 0 HA PHE A 73 4.080 9.673 11.184 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.346 9.617 8.689 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.971 8.961 8.723 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.609 8.645 10.270 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.398 6.811 9.623 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.264 6.529 11.162 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.529 4.694 10.515 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.195 4.548 11.284 1.00 0.00 H new ATOM 1111 N ILE A 74 3.718 12.483 9.716 1.00 0.00 N ATOM 1112 CA ILE A 74 4.406 13.640 9.154 1.00 0.00 C ATOM 1113 C ILE A 74 4.861 13.368 7.724 1.00 0.00 C ATOM 1114 O ILE A 74 6.017 13.605 7.375 1.00 0.00 O ATOM 1115 CB ILE A 74 5.628 14.035 10.004 1.00 0.00 C ATOM 1116 CG1 ILE A 74 5.276 13.995 11.492 1.00 0.00 C ATOM 1117 CG2 ILE A 74 6.124 15.418 9.608 1.00 0.00 C ATOM 1118 CD1 ILE A 74 5.523 12.649 12.136 1.00 0.00 C ATOM 0 H ILE A 74 2.760 12.665 10.014 1.00 0.00 H new ATOM 0 HA ILE A 74 3.692 14.463 9.155 1.00 0.00 H new ATOM 0 HB ILE A 74 6.427 13.317 9.820 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.860 14.752 12.016 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.226 14.261 11.616 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.988 15.683 10.218 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.409 15.415 8.556 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.330 16.148 9.766 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.251 12.695 13.191 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.918 11.891 11.638 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.578 12.390 12.044 1.00 0.00 H new ATOM 1130 N ILE A 75 3.943 12.871 6.902 1.00 0.00 N ATOM 1131 CA ILE A 75 4.250 12.570 5.509 1.00 0.00 C ATOM 1132 C ILE A 75 4.366 13.847 4.683 1.00 0.00 C ATOM 1133 O ILE A 75 3.376 14.345 4.150 1.00 0.00 O ATOM 1134 CB ILE A 75 3.177 11.662 4.880 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.919 10.447 5.774 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.606 11.221 3.488 1.00 0.00 C ATOM 1137 CD1 ILE A 75 4.111 9.523 5.897 1.00 0.00 C ATOM 0 H ILE A 75 2.982 12.668 7.176 1.00 0.00 H new ATOM 0 HA ILE A 75 5.207 12.048 5.503 1.00 0.00 H new ATOM 0 HB ILE A 75 2.250 12.228 4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.633 10.792 6.768 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.074 9.886 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.837 10.580 3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.745 12.098 2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.544 10.669 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.856 8.684 6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.385 9.149 4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.952 10.069 6.324 1.00 0.00 H new ATOM 1149 N ASN A 76 5.583 14.371 4.582 1.00 0.00 N ATOM 1150 CA ASN A 76 5.830 15.590 3.820 1.00 0.00 C ATOM 1151 C ASN A 76 6.182 15.264 2.371 1.00 0.00 C ATOM 1152 O ASN A 76 6.838 16.051 1.689 1.00 0.00 O ATOM 1153 CB ASN A 76 6.959 16.398 4.462 1.00 0.00 C ATOM 1154 CG ASN A 76 6.447 17.402 5.476 1.00 0.00 C ATOM 1155 OD1 ASN A 76 6.105 17.043 6.603 1.00 0.00 O ATOM 1156 ND2 ASN A 76 6.392 18.668 5.079 1.00 0.00 N ATOM 0 H ASN A 76 6.414 13.971 5.018 1.00 0.00 H new ATOM 0 HA ASN A 76 4.917 16.185 3.828 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.657 15.718 4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.515 16.922 3.684 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.056 19.389 5.718 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.686 18.920 4.135 1.00 0.00 H new ATOM 1163 N ALA A 77 5.741 14.099 1.909 1.00 0.00 N ATOM 1164 CA ALA A 77 6.007 13.670 0.541 1.00 0.00 C ATOM 1165 C ALA A 77 5.118 12.493 0.152 1.00 0.00 C ATOM 1166 O ALA A 77 4.890 11.583 0.950 1.00 0.00 O ATOM 1167 CB ALA A 77 7.474 13.301 0.380 1.00 0.00 C ATOM 0 H ALA A 77 5.198 13.435 2.461 1.00 0.00 H new ATOM 0 HA ALA A 77 5.777 14.501 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.659 12.983 -0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.094 14.168 0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.722 12.488 1.062 1.00 0.00 H new ATOM 1173 N LEU A 78 4.617 12.518 -1.078 1.00 0.00 N ATOM 1174 CA LEU A 78 3.751 11.453 -1.573 1.00 0.00 C ATOM 1175 C LEU A 78 4.012 11.183 -3.052 1.00 0.00 C ATOM 1176 O LEU A 78 4.410 12.068 -3.809 1.00 0.00 O ATOM 1177 CB LEU A 78 2.282 11.824 -1.362 1.00 0.00 C ATOM 1178 CG LEU A 78 1.906 12.305 0.040 1.00 0.00 C ATOM 1179 CD1 LEU A 78 0.688 13.214 -0.016 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.648 11.120 0.959 1.00 0.00 C ATOM 0 H LEU A 78 4.795 13.264 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 78 3.974 10.546 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.019 12.605 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.670 10.954 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 78 2.742 12.877 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.435 13.546 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.909 14.080 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.155 12.668 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.382 11.481 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.830 10.521 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.547 10.508 1.025 1.00 0.00 H new ATOM 1192 N PRO A 79 3.781 9.931 -3.474 1.00 0.00 N ATOM 1193 CA PRO A 79 3.307 8.869 -2.582 1.00 0.00 C ATOM 1194 C PRO A 79 4.371 8.438 -1.578 1.00 0.00 C ATOM 1195 O PRO A 79 5.535 8.826 -1.686 1.00 0.00 O ATOM 1196 CB PRO A 79 2.979 7.721 -3.540 1.00 0.00 C ATOM 1197 CG PRO A 79 3.841 7.963 -4.730 1.00 0.00 C ATOM 1198 CD PRO A 79 3.964 9.456 -4.856 1.00 0.00 C ATOM 0 HA PRO A 79 2.460 9.192 -1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.193 6.753 -3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.923 7.720 -3.810 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.820 7.500 -4.603 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.398 7.531 -5.627 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.935 9.747 -5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.208 9.866 -5.525 1.00 0.00 H new ATOM 1206 N THR A 80 3.965 7.633 -0.601 1.00 0.00 N ATOM 1207 CA THR A 80 4.883 7.150 0.422 1.00 0.00 C ATOM 1208 C THR A 80 4.357 5.878 1.077 1.00 0.00 C ATOM 1209 O THR A 80 3.241 5.852 1.597 1.00 0.00 O ATOM 1210 CB THR A 80 5.122 8.213 1.510 1.00 0.00 C ATOM 1211 OG1 THR A 80 6.063 9.187 1.046 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.638 7.572 2.790 1.00 0.00 C ATOM 0 H THR A 80 3.006 7.302 -0.497 1.00 0.00 H new ATOM 0 HA THR A 80 5.827 6.934 -0.078 1.00 0.00 H new ATOM 0 HB THR A 80 4.171 8.701 1.724 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.736 10.086 1.261 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.799 8.343 3.544 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.906 6.853 3.157 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.579 7.061 2.587 1.00 0.00 H new ATOM 1220 N ILE A 81 5.167 4.825 1.049 1.00 0.00 N ATOM 1221 CA ILE A 81 4.782 3.550 1.642 1.00 0.00 C ATOM 1222 C ILE A 81 5.482 3.332 2.979 1.00 0.00 C ATOM 1223 O ILE A 81 6.669 3.624 3.125 1.00 0.00 O ATOM 1224 CB ILE A 81 5.110 2.372 0.706 1.00 0.00 C ATOM 1225 CG1 ILE A 81 4.241 2.435 -0.552 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.909 1.049 1.429 1.00 0.00 C ATOM 1227 CD1 ILE A 81 4.549 1.345 -1.555 1.00 0.00 C ATOM 0 H ILE A 81 6.093 4.829 0.622 1.00 0.00 H new ATOM 0 HA ILE A 81 3.704 3.588 1.801 1.00 0.00 H new ATOM 0 HB ILE A 81 6.156 2.445 0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.192 2.366 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.377 3.406 -1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.145 0.226 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.566 1.006 2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.872 0.966 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.895 1.452 -2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.588 1.426 -1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.385 0.370 -1.095 1.00 0.00 H new ATOM 1239 N TYR A 82 4.739 2.816 3.952 1.00 0.00 N ATOM 1240 CA TYR A 82 5.288 2.559 5.278 1.00 0.00 C ATOM 1241 C TYR A 82 4.949 1.147 5.744 1.00 0.00 C ATOM 1242 O TYR A 82 3.795 0.722 5.685 1.00 0.00 O ATOM 1243 CB TYR A 82 4.753 3.582 6.282 1.00 0.00 C ATOM 1244 CG TYR A 82 5.624 4.811 6.417 1.00 0.00 C ATOM 1245 CD1 TYR A 82 6.717 4.820 7.275 1.00 0.00 C ATOM 1246 CD2 TYR A 82 5.354 5.962 5.687 1.00 0.00 C ATOM 1247 CE1 TYR A 82 7.515 5.941 7.403 1.00 0.00 C ATOM 1248 CE2 TYR A 82 6.147 7.086 5.807 1.00 0.00 C ATOM 1249 CZ TYR A 82 7.226 7.071 6.667 1.00 0.00 C ATOM 1250 OH TYR A 82 8.019 8.189 6.790 1.00 0.00 O ATOM 0 H TYR A 82 3.755 2.568 3.847 1.00 0.00 H new ATOM 0 HA TYR A 82 6.372 2.652 5.218 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.752 3.888 5.978 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.658 3.105 7.258 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.947 3.936 7.852 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.509 5.978 5.014 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.360 5.932 8.075 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.924 7.972 5.231 1.00 0.00 H new ATOM 0 HH TYR A 82 7.680 8.897 6.203 1.00 0.00 H new ATOM 1260 N HIS A 83 5.963 0.424 6.209 1.00 0.00 N ATOM 1261 CA HIS A 83 5.773 -0.941 6.687 1.00 0.00 C ATOM 1262 C HIS A 83 5.675 -0.975 8.209 1.00 0.00 C ATOM 1263 O HIS A 83 6.643 -0.676 8.910 1.00 0.00 O ATOM 1264 CB HIS A 83 6.924 -1.832 6.218 1.00 0.00 C ATOM 1265 CG HIS A 83 6.629 -3.297 6.326 1.00 0.00 C ATOM 1266 ND1 HIS A 83 5.617 -4.036 5.815 1.00 0.00 N flip ATOM 1267 CD2 HIS A 83 7.425 -4.175 7.031 1.00 0.00 C flip ATOM 1268 CE1 HIS A 83 5.819 -5.334 6.215 1.00 0.00 C flip ATOM 1269 NE2 HIS A 83 6.916 -5.391 6.947 1.00 0.00 N flip ATOM 0 H HIS A 83 6.924 0.760 6.265 1.00 0.00 H new ATOM 0 HA HIS A 83 4.838 -1.319 6.272 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.159 -1.592 5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.812 -1.604 6.807 1.00 0.00 H new ATOM 0 HD1 HIS A 83 4.848 -3.693 5.240 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.324 -3.910 7.568 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.183 -6.172 5.970 1.00 0.00 H new ATOM 1278 N CYS A 84 4.502 -1.339 8.713 1.00 0.00 N ATOM 1279 CA CYS A 84 4.277 -1.410 10.153 1.00 0.00 C ATOM 1280 C CYS A 84 4.142 -2.858 10.611 1.00 0.00 C ATOM 1281 O CYS A 84 3.098 -3.484 10.428 1.00 0.00 O ATOM 1282 CB CYS A 84 3.022 -0.623 10.533 1.00 0.00 C ATOM 1283 SG CYS A 84 3.076 0.096 12.191 1.00 0.00 S ATOM 0 H CYS A 84 3.692 -1.590 8.147 1.00 0.00 H new ATOM 0 HA CYS A 84 5.139 -0.969 10.653 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.873 0.176 9.807 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.157 -1.283 10.463 1.00 0.00 H new ATOM 0 HG CYS A 84 3.449 1.339 12.113 1.00 0.00 H new ATOM 1289 N LYS A 85 5.206 -3.386 11.206 1.00 0.00 N ATOM 1290 CA LYS A 85 5.209 -4.761 11.691 1.00 0.00 C ATOM 1291 C LYS A 85 5.659 -4.824 13.147 1.00 0.00 C ATOM 1292 O LYS A 85 6.642 -4.189 13.530 1.00 0.00 O ATOM 1293 CB LYS A 85 6.125 -5.628 10.825 1.00 0.00 C ATOM 1294 CG LYS A 85 7.576 -5.615 11.272 1.00 0.00 C ATOM 1295 CD LYS A 85 8.486 -6.248 10.233 1.00 0.00 C ATOM 1296 CE LYS A 85 8.672 -7.736 10.487 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.573 -7.992 11.644 1.00 0.00 N ATOM 0 H LYS A 85 6.078 -2.882 11.364 1.00 0.00 H new ATOM 0 HA LYS A 85 4.190 -5.144 11.627 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.759 -6.655 10.838 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.069 -5.283 9.793 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.892 -4.588 11.456 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.672 -6.152 12.216 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.065 -6.097 9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.456 -5.751 10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.702 -8.197 10.673 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.083 -8.208 9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.271 -8.858 12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.549 -8.109 11.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.529 -7.188 12.303 1.00 0.00 H new ATOM 1311 N ASP A 86 4.937 -5.594 13.953 1.00 0.00 N ATOM 1312 CA ASP A 86 5.264 -5.742 15.366 1.00 0.00 C ATOM 1313 C ASP A 86 5.432 -4.379 16.030 1.00 0.00 C ATOM 1314 O ASP A 86 6.415 -4.135 16.728 1.00 0.00 O ATOM 1315 CB ASP A 86 6.542 -6.566 15.532 1.00 0.00 C ATOM 1316 CG ASP A 86 6.571 -7.333 16.839 1.00 0.00 C ATOM 1317 OD1 ASP A 86 5.484 -7.683 17.346 1.00 0.00 O ATOM 1318 OD2 ASP A 86 7.680 -7.585 17.354 1.00 0.00 O ATOM 0 H ASP A 86 4.121 -6.126 13.652 1.00 0.00 H new ATOM 0 HA ASP A 86 4.440 -6.264 15.852 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.630 -7.266 14.701 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.407 -5.904 15.483 1.00 0.00 H new ATOM 1323 N GLY A 87 4.466 -3.494 15.807 1.00 0.00 N ATOM 1324 CA GLY A 87 4.526 -2.166 16.389 1.00 0.00 C ATOM 1325 C GLY A 87 5.734 -1.381 15.917 1.00 0.00 C ATOM 1326 O GLY A 87 5.996 -0.282 16.405 1.00 0.00 O ATOM 0 H GLY A 87 3.642 -3.673 15.233 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.618 -1.619 16.133 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.552 -2.249 17.475 1.00 0.00 H new ATOM 1330 N GLU A 88 6.471 -1.946 14.966 1.00 0.00 N ATOM 1331 CA GLU A 88 7.658 -1.291 14.431 1.00 0.00 C ATOM 1332 C GLU A 88 7.355 -0.624 13.092 1.00 0.00 C ATOM 1333 O GLU A 88 6.319 -0.880 12.479 1.00 0.00 O ATOM 1334 CB GLU A 88 8.794 -2.303 14.263 1.00 0.00 C ATOM 1335 CG GLU A 88 9.152 -3.034 15.546 1.00 0.00 C ATOM 1336 CD GLU A 88 10.461 -3.791 15.441 1.00 0.00 C ATOM 1337 OE1 GLU A 88 11.526 -3.138 15.450 1.00 0.00 O ATOM 1338 OE2 GLU A 88 10.422 -5.036 15.349 1.00 0.00 O ATOM 0 H GLU A 88 6.267 -2.855 14.551 1.00 0.00 H new ATOM 0 HA GLU A 88 7.967 -0.522 15.139 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.510 -3.034 13.506 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.678 -1.786 13.891 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.217 -2.315 16.363 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.353 -3.731 15.797 1.00 0.00 H new ATOM 1345 N PHE A 89 8.267 0.233 12.645 1.00 0.00 N ATOM 1346 CA PHE A 89 8.098 0.938 11.380 1.00 0.00 C ATOM 1347 C PHE A 89 9.375 0.878 10.548 1.00 0.00 C ATOM 1348 O PHE A 89 10.466 0.671 11.080 1.00 0.00 O ATOM 1349 CB PHE A 89 7.709 2.396 11.632 1.00 0.00 C ATOM 1350 CG PHE A 89 6.376 2.553 12.306 1.00 0.00 C ATOM 1351 CD1 PHE A 89 6.271 2.495 13.687 1.00 0.00 C ATOM 1352 CD2 PHE A 89 5.227 2.759 11.560 1.00 0.00 C ATOM 1353 CE1 PHE A 89 5.046 2.638 14.309 1.00 0.00 C ATOM 1354 CE2 PHE A 89 3.998 2.903 12.177 1.00 0.00 C ATOM 1355 CZ PHE A 89 3.908 2.843 13.554 1.00 0.00 C ATOM 0 H PHE A 89 9.131 0.456 13.140 1.00 0.00 H new ATOM 0 HA PHE A 89 7.300 0.447 10.824 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.476 2.867 12.247 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.691 2.929 10.681 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.157 2.336 14.283 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.292 2.808 10.483 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.978 2.589 15.386 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.110 3.062 11.583 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.950 2.956 14.039 1.00 0.00 H new ATOM 1365 N ARG A 90 9.231 1.059 9.239 1.00 0.00 N ATOM 1366 CA ARG A 90 10.373 1.023 8.332 1.00 0.00 C ATOM 1367 C ARG A 90 10.002 1.597 6.968 1.00 0.00 C ATOM 1368 O ARG A 90 9.231 0.996 6.220 1.00 0.00 O ATOM 1369 CB ARG A 90 10.880 -0.411 8.173 1.00 0.00 C ATOM 1370 CG ARG A 90 11.916 -0.810 9.212 1.00 0.00 C ATOM 1371 CD ARG A 90 12.750 -1.991 8.742 1.00 0.00 C ATOM 1372 NE ARG A 90 13.697 -2.432 9.763 1.00 0.00 N ATOM 1373 CZ ARG A 90 13.347 -3.124 10.841 1.00 0.00 C ATOM 1374 NH1 ARG A 90 12.077 -3.453 11.038 1.00 0.00 N ATOM 1375 NH2 ARG A 90 14.267 -3.490 11.724 1.00 0.00 N ATOM 0 H ARG A 90 8.335 1.232 8.783 1.00 0.00 H new ATOM 0 HA ARG A 90 11.166 1.636 8.761 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.034 -1.095 8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.312 -0.527 7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.569 0.038 9.421 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.416 -1.065 10.146 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.091 -2.818 8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.293 -1.715 7.838 1.00 0.00 H new ATOM 0 HE ARG A 90 14.682 -2.195 9.641 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.367 -3.174 10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.811 -3.985 11.867 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.245 -3.240 11.575 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.997 -4.021 12.552 1.00 0.00 H new ATOM 1389 N ARG A 91 10.555 2.763 6.652 1.00 0.00 N ATOM 1390 CA ARG A 91 10.281 3.419 5.379 1.00 0.00 C ATOM 1391 C ARG A 91 10.608 2.494 4.210 1.00 0.00 C ATOM 1392 O ARG A 91 11.692 1.915 4.148 1.00 0.00 O ATOM 1393 CB ARG A 91 11.090 4.712 5.263 1.00 0.00 C ATOM 1394 CG ARG A 91 10.950 5.398 3.914 1.00 0.00 C ATOM 1395 CD ARG A 91 11.127 6.904 4.034 1.00 0.00 C ATOM 1396 NE ARG A 91 12.518 7.274 4.283 1.00 0.00 N ATOM 1397 CZ ARG A 91 12.890 8.459 4.754 1.00 0.00 C ATOM 1398 NH1 ARG A 91 11.980 9.384 5.025 1.00 0.00 N ATOM 1399 NH2 ARG A 91 14.175 8.720 4.954 1.00 0.00 N ATOM 0 H ARG A 91 11.196 3.273 7.260 1.00 0.00 H new ATOM 0 HA ARG A 91 9.218 3.659 5.343 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.773 5.401 6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 91 12.142 4.490 5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.691 4.997 3.222 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.969 5.178 3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.783 7.383 3.118 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.502 7.279 4.844 1.00 0.00 H new ATOM 0 HE ARG A 91 13.243 6.585 4.084 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.991 9.187 4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.269 10.293 5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.878 8.011 4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.460 9.630 5.316 1.00 0.00 H new ATOM 1413 N TYR A 92 9.663 2.361 3.286 1.00 0.00 N ATOM 1414 CA TYR A 92 9.848 1.505 2.121 1.00 0.00 C ATOM 1415 C TYR A 92 10.655 2.221 1.042 1.00 0.00 C ATOM 1416 O TYR A 92 10.110 2.996 0.256 1.00 0.00 O ATOM 1417 CB TYR A 92 8.493 1.073 1.558 1.00 0.00 C ATOM 1418 CG TYR A 92 8.588 0.375 0.220 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.769 -1.000 0.143 1.00 0.00 C ATOM 1420 CD2 TYR A 92 8.496 1.091 -0.968 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.857 -1.642 -1.077 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.581 0.457 -2.192 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.762 -0.909 -2.242 1.00 0.00 C ATOM 1424 OH TYR A 92 8.848 -1.545 -3.459 1.00 0.00 O ATOM 0 H TYR A 92 8.761 2.835 3.322 1.00 0.00 H new ATOM 0 HA TYR A 92 10.401 0.620 2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.008 0.407 2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.855 1.951 1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.842 -1.577 1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.356 2.161 -0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.999 -2.712 -1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.506 1.028 -3.105 1.00 0.00 H new ATOM 0 HH TYR A 92 9.105 -2.481 -3.322 1.00 0.00 H new ATOM 1434 N GLN A 93 11.957 1.955 1.011 1.00 0.00 N ATOM 1435 CA GLN A 93 12.840 2.573 0.029 1.00 0.00 C ATOM 1436 C GLN A 93 12.923 1.728 -1.237 1.00 0.00 C ATOM 1437 O GLN A 93 13.881 0.982 -1.436 1.00 0.00 O ATOM 1438 CB GLN A 93 14.237 2.768 0.620 1.00 0.00 C ATOM 1439 CG GLN A 93 14.371 4.024 1.465 1.00 0.00 C ATOM 1440 CD GLN A 93 14.803 5.230 0.654 1.00 0.00 C ATOM 1441 OE1 GLN A 93 15.072 5.123 -0.543 1.00 0.00 O ATOM 1442 NE2 GLN A 93 14.873 6.386 1.303 1.00 0.00 N ATOM 0 H GLN A 93 12.424 1.316 1.655 1.00 0.00 H new ATOM 0 HA GLN A 93 12.425 3.546 -0.233 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.488 1.901 1.231 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.963 2.807 -0.192 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.416 4.237 1.946 1.00 0.00 H new ATOM 0 HG3 GLN A 93 15.096 3.847 2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.641 6.429 2.295 1.00 0.00 H new ATOM 0 HE22 GLN A 93 15.159 7.232 0.809 1.00 0.00 H new ATOM 1451 N GLY A 94 11.912 1.849 -2.091 1.00 0.00 N ATOM 1452 CA GLY A 94 11.890 1.089 -3.328 1.00 0.00 C ATOM 1453 C GLY A 94 11.168 1.817 -4.444 1.00 0.00 C ATOM 1454 O GLY A 94 10.601 2.893 -4.247 1.00 0.00 O ATOM 0 H GLY A 94 11.107 2.460 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.913 0.878 -3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.405 0.129 -3.152 1.00 0.00 H new ATOM 1458 N PRO A 95 11.183 1.228 -5.648 1.00 0.00 N ATOM 1459 CA PRO A 95 10.530 1.811 -6.824 1.00 0.00 C ATOM 1460 C PRO A 95 9.009 1.777 -6.718 1.00 0.00 C ATOM 1461 O PRO A 95 8.306 2.306 -7.579 1.00 0.00 O ATOM 1462 CB PRO A 95 11.006 0.919 -7.973 1.00 0.00 C ATOM 1463 CG PRO A 95 11.331 -0.385 -7.331 1.00 0.00 C ATOM 1464 CD PRO A 95 11.839 -0.054 -5.955 1.00 0.00 C ATOM 0 HA PRO A 95 10.783 2.864 -6.951 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.232 0.805 -8.732 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.878 1.344 -8.469 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.450 -1.024 -7.278 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.083 -0.926 -7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.572 -0.825 -5.232 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.925 0.036 -5.939 1.00 0.00 H new ATOM 1472 N ARG A 96 8.508 1.153 -5.658 1.00 0.00 N ATOM 1473 CA ARG A 96 7.070 1.050 -5.441 1.00 0.00 C ATOM 1474 C ARG A 96 6.402 0.284 -6.579 1.00 0.00 C ATOM 1475 O ARG A 96 5.317 0.648 -7.035 1.00 0.00 O ATOM 1476 CB ARG A 96 6.450 2.443 -5.317 1.00 0.00 C ATOM 1477 CG ARG A 96 6.643 3.075 -3.948 1.00 0.00 C ATOM 1478 CD ARG A 96 6.278 4.551 -3.960 1.00 0.00 C ATOM 1479 NE ARG A 96 7.420 5.394 -4.304 1.00 0.00 N ATOM 1480 CZ ARG A 96 8.318 5.811 -3.418 1.00 0.00 C ATOM 1481 NH1 ARG A 96 8.208 5.465 -2.143 1.00 0.00 N ATOM 1482 NH2 ARG A 96 9.330 6.576 -3.808 1.00 0.00 N ATOM 0 H ARG A 96 9.076 0.711 -4.936 1.00 0.00 H new ATOM 0 HA ARG A 96 6.907 0.503 -4.512 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.887 3.095 -6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.383 2.377 -5.530 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.028 2.553 -3.215 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.681 2.958 -3.635 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.474 4.720 -4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.897 4.838 -2.980 1.00 0.00 H new ATOM 0 HE ARG A 96 7.534 5.678 -5.277 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.432 4.877 -1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.899 5.787 -1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.419 6.844 -4.788 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.019 6.896 -3.128 1.00 0.00 H new ATOM 1496 N THR A 97 7.057 -0.779 -7.035 1.00 0.00 N ATOM 1497 CA THR A 97 6.528 -1.596 -8.120 1.00 0.00 C ATOM 1498 C THR A 97 5.918 -2.888 -7.590 1.00 0.00 C ATOM 1499 O THR A 97 6.330 -3.399 -6.548 1.00 0.00 O ATOM 1500 CB THR A 97 7.623 -1.942 -9.148 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.797 -2.407 -8.474 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.968 -0.730 -10.000 1.00 0.00 C ATOM 0 H THR A 97 7.955 -1.094 -6.669 1.00 0.00 H new ATOM 0 HA THR A 97 5.753 -1.007 -8.610 1.00 0.00 H new ATOM 0 HB THR A 97 7.243 -2.728 -9.800 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.488 -2.626 -9.134 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.743 -0.999 -10.718 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.079 -0.396 -10.534 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.330 0.074 -9.359 1.00 0.00 H new ATOM 1510 N LYS A 98 4.935 -3.413 -8.313 1.00 0.00 N ATOM 1511 CA LYS A 98 4.268 -4.647 -7.916 1.00 0.00 C ATOM 1512 C LYS A 98 5.286 -5.712 -7.520 1.00 0.00 C ATOM 1513 O LYS A 98 5.269 -6.213 -6.395 1.00 0.00 O ATOM 1514 CB LYS A 98 3.390 -5.166 -9.057 1.00 0.00 C ATOM 1515 CG LYS A 98 2.258 -6.066 -8.593 1.00 0.00 C ATOM 1516 CD LYS A 98 1.900 -7.100 -9.647 1.00 0.00 C ATOM 1517 CE LYS A 98 2.688 -8.387 -9.455 1.00 0.00 C ATOM 1518 NZ LYS A 98 2.334 -9.411 -10.477 1.00 0.00 N ATOM 0 H LYS A 98 4.582 -3.003 -9.178 1.00 0.00 H new ATOM 0 HA LYS A 98 3.640 -4.430 -7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.970 -4.317 -9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.013 -5.715 -9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.547 -6.570 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.381 -5.460 -8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.832 -7.315 -9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.100 -6.694 -10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.755 -8.171 -9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.495 -8.786 -8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.892 -10.273 -10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.321 -9.636 -10.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.542 -9.040 -11.426 1.00 0.00 H new ATOM 1532 N LYS A 99 6.172 -6.052 -8.449 1.00 0.00 N ATOM 1533 CA LYS A 99 7.200 -7.055 -8.196 1.00 0.00 C ATOM 1534 C LYS A 99 7.925 -6.772 -6.885 1.00 0.00 C ATOM 1535 O LYS A 99 7.856 -7.563 -5.943 1.00 0.00 O ATOM 1536 CB LYS A 99 8.204 -7.088 -9.350 1.00 0.00 C ATOM 1537 CG LYS A 99 9.465 -7.874 -9.037 1.00 0.00 C ATOM 1538 CD LYS A 99 10.648 -7.380 -9.852 1.00 0.00 C ATOM 1539 CE LYS A 99 11.950 -7.497 -9.073 1.00 0.00 C ATOM 1540 NZ LYS A 99 12.593 -8.826 -9.265 1.00 0.00 N ATOM 0 H LYS A 99 6.199 -5.648 -9.385 1.00 0.00 H new ATOM 0 HA LYS A 99 6.713 -8.027 -8.119 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.723 -7.523 -10.226 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.478 -6.066 -9.611 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.693 -7.789 -7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.296 -8.931 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.722 -7.956 -10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.486 -6.341 -10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 99 12.636 -6.712 -9.392 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.754 -7.338 -8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.477 -8.866 -8.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.949 -9.574 -8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.803 -8.968 -10.274 1.00 0.00 H new ATOM 1554 N ASP A 100 8.618 -5.640 -6.830 1.00 0.00 N ATOM 1555 CA ASP A 100 9.354 -5.252 -5.632 1.00 0.00 C ATOM 1556 C ASP A 100 8.593 -5.653 -4.372 1.00 0.00 C ATOM 1557 O ASP A 100 9.089 -6.429 -3.555 1.00 0.00 O ATOM 1558 CB ASP A 100 9.609 -3.744 -5.631 1.00 0.00 C ATOM 1559 CG ASP A 100 10.818 -3.361 -4.799 1.00 0.00 C ATOM 1560 OD1 ASP A 100 10.670 -3.222 -3.567 1.00 0.00 O ATOM 1561 OD2 ASP A 100 11.912 -3.201 -5.381 1.00 0.00 O ATOM 0 H ASP A 100 8.686 -4.975 -7.601 1.00 0.00 H new ATOM 0 HA ASP A 100 10.311 -5.775 -5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.754 -3.402 -6.656 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.729 -3.230 -5.245 1.00 0.00 H new ATOM 1566 N PHE A 101 7.386 -5.117 -4.221 1.00 0.00 N ATOM 1567 CA PHE A 101 6.557 -5.418 -3.060 1.00 0.00 C ATOM 1568 C PHE A 101 6.723 -6.874 -2.635 1.00 0.00 C ATOM 1569 O PHE A 101 7.087 -7.161 -1.494 1.00 0.00 O ATOM 1570 CB PHE A 101 5.086 -5.129 -3.368 1.00 0.00 C ATOM 1571 CG PHE A 101 4.800 -3.676 -3.618 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.458 -2.693 -2.896 1.00 0.00 C ATOM 1573 CD2 PHE A 101 3.873 -3.293 -4.574 1.00 0.00 C ATOM 1574 CE1 PHE A 101 5.196 -1.355 -3.123 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.607 -1.957 -4.806 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.270 -0.987 -4.080 1.00 0.00 C ATOM 0 H PHE A 101 6.961 -4.473 -4.888 1.00 0.00 H new ATOM 0 HA PHE A 101 6.881 -4.779 -2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.786 -5.706 -4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.474 -5.473 -2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.184 -2.976 -2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.352 -4.048 -5.145 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.714 -0.598 -2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.882 -1.672 -5.554 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.065 0.058 -4.260 1.00 0.00 H new ATOM 1586 N ILE A 102 6.454 -7.788 -3.560 1.00 0.00 N ATOM 1587 CA ILE A 102 6.573 -9.214 -3.282 1.00 0.00 C ATOM 1588 C ILE A 102 7.830 -9.512 -2.470 1.00 0.00 C ATOM 1589 O ILE A 102 7.750 -9.970 -1.331 1.00 0.00 O ATOM 1590 CB ILE A 102 6.607 -10.040 -4.581 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.220 -10.076 -5.225 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.103 -11.451 -4.299 1.00 0.00 C ATOM 1593 CD1 ILE A 102 5.033 -9.045 -6.316 1.00 0.00 C ATOM 0 H ILE A 102 6.152 -7.567 -4.509 1.00 0.00 H new ATOM 0 HA ILE A 102 5.693 -9.498 -2.704 1.00 0.00 H new ATOM 0 HB ILE A 102 7.298 -9.565 -5.278 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.047 -11.069 -5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.466 -9.918 -4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.121 -12.022 -5.227 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.108 -11.406 -3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.435 -11.936 -3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.027 -9.129 -6.727 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.174 -8.047 -5.901 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.764 -9.215 -7.107 1.00 0.00 H new ATOM 1605 N ASN A 103 8.988 -9.247 -3.065 1.00 0.00 N ATOM 1606 CA ASN A 103 10.262 -9.486 -2.396 1.00 0.00 C ATOM 1607 C ASN A 103 10.323 -8.749 -1.062 1.00 0.00 C ATOM 1608 O ASN A 103 10.563 -9.353 -0.017 1.00 0.00 O ATOM 1609 CB ASN A 103 11.422 -9.042 -3.290 1.00 0.00 C ATOM 1610 CG ASN A 103 11.023 -7.937 -4.249 1.00 0.00 C ATOM 1611 OD1 ASN A 103 11.380 -6.775 -4.058 1.00 0.00 O ATOM 1612 ND2 ASN A 103 10.278 -8.296 -5.288 1.00 0.00 N ATOM 0 H ASN A 103 9.071 -8.867 -4.008 1.00 0.00 H new ATOM 0 HA ASN A 103 10.348 -10.556 -2.204 1.00 0.00 H new ATOM 0 HB2 ASN A 103 12.247 -8.698 -2.666 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.788 -9.898 -3.858 1.00 0.00 H new ATOM 0 HD21 ASN A 103 9.979 -7.596 -5.967 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.005 -9.272 -5.407 1.00 0.00 H new ATOM 1619 N PHE A 104 10.103 -7.439 -1.106 1.00 0.00 N ATOM 1620 CA PHE A 104 10.133 -6.618 0.100 1.00 0.00 C ATOM 1621 C PHE A 104 9.390 -7.303 1.243 1.00 0.00 C ATOM 1622 O PHE A 104 9.664 -7.050 2.416 1.00 0.00 O ATOM 1623 CB PHE A 104 9.515 -5.246 -0.177 1.00 0.00 C ATOM 1624 CG PHE A 104 9.496 -4.345 1.024 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.626 -3.632 1.391 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.347 -4.210 1.788 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.611 -2.801 2.496 1.00 0.00 C ATOM 1628 CE2 PHE A 104 8.326 -3.381 2.893 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.460 -2.676 3.248 1.00 0.00 C ATOM 0 H PHE A 104 9.902 -6.923 -1.963 1.00 0.00 H new ATOM 0 HA PHE A 104 11.174 -6.487 0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 104 10.073 -4.760 -0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.495 -5.381 -0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.529 -3.727 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.458 -4.759 1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.499 -2.250 2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.424 -3.284 3.479 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.446 -2.028 4.112 1.00 0.00 H new ATOM 1639 N ILE A 105 8.447 -8.171 0.891 1.00 0.00 N ATOM 1640 CA ILE A 105 7.664 -8.892 1.886 1.00 0.00 C ATOM 1641 C ILE A 105 8.281 -10.253 2.191 1.00 0.00 C ATOM 1642 O ILE A 105 8.578 -10.567 3.343 1.00 0.00 O ATOM 1643 CB ILE A 105 6.209 -9.094 1.421 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.528 -7.741 1.204 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.439 -9.925 2.436 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.473 -6.886 2.450 1.00 0.00 C ATOM 0 H ILE A 105 8.207 -8.392 -0.076 1.00 0.00 H new ATOM 0 HA ILE A 105 7.667 -8.283 2.790 1.00 0.00 H new ATOM 0 HB ILE A 105 6.217 -9.632 0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.059 -7.197 0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.513 -7.908 0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.413 -10.059 2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.915 -10.899 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.436 -9.413 3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.977 -5.942 2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.916 -7.410 3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.486 -6.688 2.801 1.00 0.00 H new ATOM 1658 N SER A 106 8.473 -11.056 1.149 1.00 0.00 N ATOM 1659 CA SER A 106 9.054 -12.384 1.305 1.00 0.00 C ATOM 1660 C SER A 106 10.531 -12.291 1.678 1.00 0.00 C ATOM 1661 O SER A 106 10.966 -12.854 2.683 1.00 0.00 O ATOM 1662 CB SER A 106 8.891 -13.190 0.015 1.00 0.00 C ATOM 1663 OG SER A 106 9.552 -14.440 0.108 1.00 0.00 O ATOM 0 H SER A 106 8.235 -10.810 0.188 1.00 0.00 H new ATOM 0 HA SER A 106 8.525 -12.892 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.832 -13.349 -0.187 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.294 -12.624 -0.825 1.00 0.00 H new ATOM 0 HG SER A 106 9.432 -14.937 -0.728 1.00 0.00 H new ATOM 1669 N ASP A 107 11.296 -11.577 0.860 1.00 0.00 N ATOM 1670 CA ASP A 107 12.725 -11.408 1.102 1.00 0.00 C ATOM 1671 C ASP A 107 12.968 -10.551 2.340 1.00 0.00 C ATOM 1672 O ASP A 107 14.066 -10.543 2.897 1.00 0.00 O ATOM 1673 CB ASP A 107 13.398 -10.772 -0.115 1.00 0.00 C ATOM 1674 CG ASP A 107 13.747 -11.791 -1.182 1.00 0.00 C ATOM 1675 OD1 ASP A 107 12.915 -12.685 -1.444 1.00 0.00 O ATOM 1676 OD2 ASP A 107 14.852 -11.694 -1.756 1.00 0.00 O ATOM 0 H ASP A 107 10.951 -11.106 0.024 1.00 0.00 H new ATOM 0 HA ASP A 107 13.159 -12.393 1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.736 -10.018 -0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.305 -10.258 0.203 1.00 0.00 H new ATOM 1681 N LYS A 108 11.937 -9.829 2.765 1.00 0.00 N ATOM 1682 CA LYS A 108 12.037 -8.968 3.938 1.00 0.00 C ATOM 1683 C LYS A 108 13.166 -7.955 3.773 1.00 0.00 C ATOM 1684 O LYS A 108 13.986 -7.775 4.673 1.00 0.00 O ATOM 1685 CB LYS A 108 12.271 -9.808 5.195 1.00 0.00 C ATOM 1686 CG LYS A 108 11.228 -10.892 5.405 1.00 0.00 C ATOM 1687 CD LYS A 108 11.791 -12.062 6.195 1.00 0.00 C ATOM 1688 CE LYS A 108 10.895 -13.287 6.090 1.00 0.00 C ATOM 1689 NZ LYS A 108 9.822 -13.278 7.122 1.00 0.00 N ATOM 0 H LYS A 108 11.022 -9.823 2.315 1.00 0.00 H new ATOM 0 HA LYS A 108 11.097 -8.426 4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.256 -10.270 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.280 -9.151 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.370 -10.475 5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.868 -11.244 4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.787 -12.306 5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.899 -11.777 7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.445 -13.324 5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.498 -14.189 6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.233 -14.129 7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.251 -13.268 8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 9.231 -12.431 7.001 1.00 0.00 H new ATOM 1703 N GLU A 109 13.200 -7.295 2.619 1.00 0.00 N ATOM 1704 CA GLU A 109 14.228 -6.300 2.339 1.00 0.00 C ATOM 1705 C GLU A 109 14.213 -5.192 3.389 1.00 0.00 C ATOM 1706 O GLU A 109 15.195 -4.469 3.557 1.00 0.00 O ATOM 1707 CB GLU A 109 14.022 -5.700 0.947 1.00 0.00 C ATOM 1708 CG GLU A 109 14.216 -6.700 -0.181 1.00 0.00 C ATOM 1709 CD GLU A 109 14.507 -6.031 -1.510 1.00 0.00 C ATOM 1710 OE1 GLU A 109 13.694 -5.184 -1.938 1.00 0.00 O ATOM 1711 OE2 GLU A 109 15.546 -6.353 -2.123 1.00 0.00 O ATOM 0 H GLU A 109 12.528 -7.432 1.864 1.00 0.00 H new ATOM 0 HA GLU A 109 15.198 -6.797 2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.016 -5.285 0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.717 -4.872 0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.037 -7.371 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.320 -7.313 -0.276 1.00 0.00 H new ATOM 1718 N TRP A 110 13.093 -5.066 4.091 1.00 0.00 N ATOM 1719 CA TRP A 110 12.950 -4.046 5.124 1.00 0.00 C ATOM 1720 C TRP A 110 14.074 -4.148 6.149 1.00 0.00 C ATOM 1721 O TRP A 110 14.500 -3.144 6.720 1.00 0.00 O ATOM 1722 CB TRP A 110 11.594 -4.182 5.820 1.00 0.00 C ATOM 1723 CG TRP A 110 11.259 -5.594 6.194 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.646 -6.527 5.408 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.515 -6.232 7.450 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.506 -7.707 6.099 1.00 0.00 N ATOM 1727 CE2 TRP A 110 11.032 -7.551 7.354 1.00 0.00 C ATOM 1728 CE3 TRP A 110 12.108 -5.817 8.646 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 11.124 -8.456 8.409 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 12.197 -6.716 9.692 1.00 0.00 C ATOM 1731 CH2 TRP A 110 11.708 -8.023 9.568 1.00 0.00 C ATOM 0 H TRP A 110 12.271 -5.657 3.964 1.00 0.00 H new ATOM 0 HA TRP A 110 13.008 -3.069 4.645 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.591 -3.565 6.719 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.816 -3.793 5.164 1.00 0.00 H new ATOM 0 HD1 TRP A 110 10.319 -6.362 4.392 1.00 0.00 H new ATOM 0 HE1 TRP A 110 10.080 -8.560 5.736 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.490 -4.812 8.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.748 -9.464 8.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 12.651 -6.406 10.621 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.794 -8.702 10.404 1.00 0.00 H new ATOM 1742 N LYS A 111 14.551 -5.366 6.378 1.00 0.00 N ATOM 1743 CA LYS A 111 15.627 -5.600 7.334 1.00 0.00 C ATOM 1744 C LYS A 111 16.783 -4.632 7.100 1.00 0.00 C ATOM 1745 O LYS A 111 17.280 -4.006 8.035 1.00 0.00 O ATOM 1746 CB LYS A 111 16.127 -7.042 7.228 1.00 0.00 C ATOM 1747 CG LYS A 111 15.432 -7.999 8.182 1.00 0.00 C ATOM 1748 CD LYS A 111 14.219 -8.647 7.536 1.00 0.00 C ATOM 1749 CE LYS A 111 13.818 -9.924 8.259 1.00 0.00 C ATOM 1750 NZ LYS A 111 14.677 -11.075 7.866 1.00 0.00 N ATOM 0 H LYS A 111 14.209 -6.208 5.914 1.00 0.00 H new ATOM 0 HA LYS A 111 15.232 -5.432 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.984 -7.393 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 111 17.199 -7.061 7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 111 16.133 -8.771 8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.124 -7.461 9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.384 -7.946 7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.438 -8.872 6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.888 -9.769 9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 111 12.776 -10.155 8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.373 -11.927 8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.591 -11.239 6.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.668 -10.865 8.101 1.00 0.00 H new ATOM 1764 N SER A 112 17.204 -4.513 5.844 1.00 0.00 N ATOM 1765 CA SER A 112 18.302 -3.623 5.488 1.00 0.00 C ATOM 1766 C SER A 112 17.936 -2.169 5.768 1.00 0.00 C ATOM 1767 O SER A 112 18.806 -1.337 6.028 1.00 0.00 O ATOM 1768 CB SER A 112 18.666 -3.793 4.012 1.00 0.00 C ATOM 1769 OG SER A 112 19.047 -5.129 3.731 1.00 0.00 O ATOM 0 H SER A 112 16.801 -5.022 5.057 1.00 0.00 H new ATOM 0 HA SER A 112 19.164 -3.887 6.101 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.815 -3.516 3.390 1.00 0.00 H new ATOM 0 HB3 SER A 112 19.482 -3.117 3.755 1.00 0.00 H new ATOM 0 HG SER A 112 19.273 -5.212 2.781 1.00 0.00 H new ATOM 1775 N ILE A 113 16.642 -1.870 5.714 1.00 0.00 N ATOM 1776 CA ILE A 113 16.160 -0.518 5.963 1.00 0.00 C ATOM 1777 C ILE A 113 15.990 -0.261 7.457 1.00 0.00 C ATOM 1778 O ILE A 113 15.459 -1.099 8.184 1.00 0.00 O ATOM 1779 CB ILE A 113 14.818 -0.259 5.254 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.960 -0.485 3.747 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.331 1.154 5.539 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.639 -0.694 3.040 1.00 0.00 C ATOM 0 H ILE A 113 15.909 -2.546 5.500 1.00 0.00 H new ATOM 0 HA ILE A 113 16.911 0.163 5.562 1.00 0.00 H new ATOM 0 HB ILE A 113 14.079 -0.961 5.640 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.467 0.373 3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.596 -1.354 3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.381 1.321 5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 113 14.195 1.282 6.613 1.00 0.00 H new ATOM 0 HG23 ILE A 113 15.067 1.872 5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.816 -0.848 1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 113 13.139 -1.569 3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 113 13.009 0.184 3.180 1.00 0.00 H new