USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1018 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 Single : A 46 MET CE :methyl -165:sc= 0 (180deg=-0.166) USER MOD Single : A 57 THR OG1 : rot -47:sc= 1.25 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00914 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 71 SER OG : rot 63:sc= 1.22 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0877) USER MOD Single : A 78 MET CE :methyl 159:sc= -0.132 (180deg=-0.665) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.0216 (180deg=-0.243) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -142:sc= 0 (180deg=-1) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 179:sc= -1.3 (180deg=-1.32) USER MOD Single : A 96 ASN : amide:sc= 0.563 K(o=0.56,f=-0.11) USER MOD Single : B 46 MET CE :methyl -165:sc= 0 (180deg=-0.154) USER MOD Single : B 57 THR OG1 : rot -49:sc= 1.2 USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 SER OG : rot 180:sc= 0.00376 USER MOD Single : B 67 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : B 71 SER OG : rot 76:sc= 1.27 USER MOD Single : B 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.089) USER MOD Single : B 78 MET CE :methyl 161:sc= -0.134 (180deg=-0.621) USER MOD Single : B 82 LYS NZ :NH3+ -167:sc= -0.0415 (180deg=-0.253) USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.996) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 MET CE :methyl 178:sc= -1.34 (180deg=-1.36) USER MOD Single : B 96 ASN : amide:sc= 0.469 K(o=0.47,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 42 -8.965 9.484 -6.312 1.00 0.00 N ATOM 101 CA GLY A 42 -8.675 8.072 -6.342 1.00 0.00 C ATOM 102 C GLY A 42 -9.918 7.221 -6.488 1.00 0.00 C ATOM 103 O GLY A 42 -10.800 7.258 -5.626 1.00 0.00 O ATOM 0 HA2 GLY A 42 -7.997 7.862 -7.170 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.155 7.793 -5.426 1.00 0.00 H new ATOM 107 N PRO A 43 -10.036 6.468 -7.594 1.00 0.00 N ATOM 108 CA PRO A 43 -11.077 5.448 -7.752 1.00 0.00 C ATOM 109 C PRO A 43 -10.895 4.324 -6.734 1.00 0.00 C ATOM 110 O PRO A 43 -9.940 4.347 -5.962 1.00 0.00 O ATOM 111 CB PRO A 43 -10.870 4.927 -9.179 1.00 0.00 C ATOM 112 CG PRO A 43 -10.051 5.970 -9.859 1.00 0.00 C ATOM 113 CD PRO A 43 -9.186 6.568 -8.790 1.00 0.00 C ATOM 0 HA PRO A 43 -12.080 5.843 -7.589 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.359 3.964 -9.177 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.823 4.781 -9.687 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.446 5.535 -10.655 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.685 6.728 -10.319 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.252 6.019 -8.670 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.922 7.601 -9.014 1.00 0.00 H new ATOM 121 N ILE A 44 -11.781 3.333 -6.746 1.00 0.00 N ATOM 122 CA ILE A 44 -11.788 2.297 -5.707 1.00 0.00 C ATOM 123 C ILE A 44 -10.414 1.633 -5.526 1.00 0.00 C ATOM 124 O ILE A 44 -9.986 1.377 -4.396 1.00 0.00 O ATOM 125 CB ILE A 44 -12.862 1.220 -5.976 1.00 0.00 C ATOM 126 CG1 ILE A 44 -12.658 0.560 -7.341 1.00 0.00 C ATOM 127 CG2 ILE A 44 -14.253 1.835 -5.883 1.00 0.00 C ATOM 128 CD1 ILE A 44 -13.638 -0.557 -7.621 1.00 0.00 C ATOM 0 H ILE A 44 -12.502 3.221 -7.458 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.035 2.811 -4.778 1.00 0.00 H new ATOM 0 HB ILE A 44 -12.765 0.445 -5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.750 1.317 -8.120 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -11.643 0.166 -7.398 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.003 1.068 -6.074 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -14.402 2.248 -4.885 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -14.350 2.630 -6.623 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.436 -0.980 -8.605 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.531 -1.333 -6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.654 -0.164 -7.597 1.00 0.00 H new ATOM 140 N ARG A 45 -9.714 1.387 -6.632 1.00 0.00 N ATOM 141 CA ARG A 45 -8.375 0.804 -6.573 1.00 0.00 C ATOM 142 C ARG A 45 -7.426 1.714 -5.799 1.00 0.00 C ATOM 143 O ARG A 45 -6.710 1.270 -4.900 1.00 0.00 O ATOM 144 CB ARG A 45 -7.823 0.567 -7.980 1.00 0.00 C ATOM 145 CG ARG A 45 -8.582 -0.481 -8.778 1.00 0.00 C ATOM 146 CD ARG A 45 -7.970 -0.668 -10.156 1.00 0.00 C ATOM 147 NE ARG A 45 -8.681 -1.671 -10.947 1.00 0.00 N ATOM 148 CZ ARG A 45 -8.198 -2.214 -12.065 1.00 0.00 C ATOM 149 NH1 ARG A 45 -6.996 -1.870 -12.508 1.00 0.00 N ATOM 150 NH2 ARG A 45 -8.914 -3.105 -12.738 1.00 0.00 N ATOM 0 H ARG A 45 -10.050 1.581 -7.575 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.451 -0.153 -6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.841 1.509 -8.529 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.779 0.263 -7.902 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.572 -1.429 -8.241 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.625 -0.182 -8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.979 0.284 -10.687 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.926 -0.964 -10.051 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.600 -1.973 -10.625 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.439 -1.188 -11.993 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.629 -2.287 -13.364 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.837 -3.377 -12.401 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.541 -3.518 -13.593 1.00 0.00 H new ATOM 164 N MET A 46 -7.444 2.993 -6.143 1.00 0.00 N ATOM 165 CA MET A 46 -6.577 3.967 -5.500 1.00 0.00 C ATOM 166 C MET A 46 -7.007 4.211 -4.065 1.00 0.00 C ATOM 167 O MET A 46 -6.187 4.558 -3.228 1.00 0.00 O ATOM 168 CB MET A 46 -6.563 5.290 -6.267 1.00 0.00 C ATOM 169 CG MET A 46 -5.845 5.222 -7.604 1.00 0.00 C ATOM 170 SD MET A 46 -6.700 4.198 -8.819 1.00 0.00 S ATOM 171 CE MET A 46 -5.630 4.433 -10.232 1.00 0.00 C ATOM 0 H MET A 46 -8.051 3.380 -6.865 1.00 0.00 H new ATOM 0 HA MET A 46 -5.568 3.554 -5.502 1.00 0.00 H new ATOM 0 HB2 MET A 46 -7.591 5.612 -6.434 1.00 0.00 H new ATOM 0 HB3 MET A 46 -6.087 6.051 -5.649 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.735 6.231 -8.002 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.840 4.829 -7.450 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.140 4.096 -11.135 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.382 5.490 -10.329 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.715 3.857 -10.095 1.00 0.00 H new ATOM 181 N VAL A 47 -8.292 4.030 -3.784 1.00 0.00 N ATOM 182 CA VAL A 47 -8.792 4.158 -2.422 1.00 0.00 C ATOM 183 C VAL A 47 -8.074 3.179 -1.507 1.00 0.00 C ATOM 184 O VAL A 47 -7.609 3.552 -0.435 1.00 0.00 O ATOM 185 CB VAL A 47 -10.314 3.922 -2.335 1.00 0.00 C ATOM 186 CG1 VAL A 47 -10.786 3.950 -0.889 1.00 0.00 C ATOM 187 CG2 VAL A 47 -11.057 4.964 -3.150 1.00 0.00 C ATOM 0 H VAL A 47 -9.003 3.795 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.594 5.181 -2.102 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.529 2.935 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.862 3.781 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.278 3.168 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.557 4.921 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.130 4.784 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.829 5.958 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.747 4.899 -4.193 1.00 0.00 H new ATOM 197 N LEU A 48 -7.961 1.932 -1.952 1.00 0.00 N ATOM 198 CA LEU A 48 -7.251 0.914 -1.182 1.00 0.00 C ATOM 199 C LEU A 48 -5.751 1.211 -1.131 1.00 0.00 C ATOM 200 O LEU A 48 -5.083 0.903 -0.143 1.00 0.00 O ATOM 201 CB LEU A 48 -7.508 -0.485 -1.754 1.00 0.00 C ATOM 202 CG LEU A 48 -8.789 -1.174 -1.258 1.00 0.00 C ATOM 203 CD1 LEU A 48 -10.024 -0.359 -1.604 1.00 0.00 C ATOM 204 CD2 LEU A 48 -8.902 -2.570 -1.845 1.00 0.00 C ATOM 0 H LEU A 48 -8.349 1.602 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.635 0.939 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.552 -0.412 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.656 -1.121 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.727 -1.250 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.913 -0.873 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.955 0.623 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.091 -0.241 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.815 -3.044 -1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.933 -2.506 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.040 -3.164 -1.541 1.00 0.00 H new ATOM 216 N ALA A 49 -5.231 1.818 -2.193 1.00 0.00 N ATOM 217 CA ALA A 49 -3.830 2.230 -2.229 1.00 0.00 C ATOM 218 C ALA A 49 -3.560 3.340 -1.216 1.00 0.00 C ATOM 219 O ALA A 49 -2.625 3.256 -0.416 1.00 0.00 O ATOM 220 CB ALA A 49 -3.450 2.687 -3.628 1.00 0.00 C ATOM 0 H ALA A 49 -5.757 2.036 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.216 1.370 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.403 2.991 -3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.598 1.867 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.076 3.531 -3.918 1.00 0.00 H new ATOM 226 N ILE A 50 -4.393 4.375 -1.250 1.00 0.00 N ATOM 227 CA ILE A 50 -4.279 5.489 -0.320 1.00 0.00 C ATOM 228 C ILE A 50 -4.601 5.015 1.096 1.00 0.00 C ATOM 229 O ILE A 50 -4.078 5.542 2.079 1.00 0.00 O ATOM 230 CB ILE A 50 -5.223 6.651 -0.714 1.00 0.00 C ATOM 231 CG1 ILE A 50 -4.973 7.076 -2.168 1.00 0.00 C ATOM 232 CG2 ILE A 50 -5.035 7.836 0.226 1.00 0.00 C ATOM 233 CD1 ILE A 50 -5.889 8.183 -2.648 1.00 0.00 C ATOM 0 H ILE A 50 -5.159 4.464 -1.917 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.255 5.859 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.252 6.302 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.938 7.404 -2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.096 6.209 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.707 8.643 -0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.260 7.529 1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.004 8.184 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.652 8.428 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.925 7.852 -2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.750 9.066 -2.025 1.00 0.00 H new ATOM 245 N LEU A 51 -5.462 4.009 1.182 1.00 0.00 N ATOM 246 CA LEU A 51 -5.789 3.374 2.448 1.00 0.00 C ATOM 247 C LEU A 51 -4.528 2.820 3.095 1.00 0.00 C ATOM 248 O LEU A 51 -4.198 3.182 4.221 1.00 0.00 O ATOM 249 CB LEU A 51 -6.792 2.241 2.230 1.00 0.00 C ATOM 250 CG LEU A 51 -7.297 1.561 3.500 1.00 0.00 C ATOM 251 CD1 LEU A 51 -8.347 2.423 4.188 1.00 0.00 C ATOM 252 CD2 LEU A 51 -7.848 0.182 3.175 1.00 0.00 C ATOM 0 H LEU A 51 -5.950 3.613 0.379 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.233 4.121 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.649 2.637 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.330 1.487 1.593 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.461 1.440 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.695 1.921 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.910 3.386 4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.188 2.580 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.205 -0.292 4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.674 0.277 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.061 -0.429 2.733 1.00 0.00 H new ATOM 264 N ALA A 52 -3.822 1.953 2.366 1.00 0.00 N ATOM 265 CA ALA A 52 -2.588 1.346 2.861 1.00 0.00 C ATOM 266 C ALA A 52 -1.581 2.414 3.256 1.00 0.00 C ATOM 267 O ALA A 52 -0.878 2.280 4.260 1.00 0.00 O ATOM 268 CB ALA A 52 -1.986 0.425 1.816 1.00 0.00 C ATOM 0 H ALA A 52 -4.087 1.656 1.427 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.835 0.758 3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.068 -0.016 2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.696 -0.367 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.761 0.995 0.915 1.00 0.00 H new ATOM 274 N PHE A 53 -1.520 3.471 2.455 1.00 0.00 N ATOM 275 CA PHE A 53 -0.705 4.631 2.775 1.00 0.00 C ATOM 276 C PHE A 53 -1.046 5.126 4.178 1.00 0.00 C ATOM 277 O PHE A 53 -0.200 5.139 5.064 1.00 0.00 O ATOM 278 CB PHE A 53 -0.945 5.730 1.731 1.00 0.00 C ATOM 279 CG PHE A 53 -0.213 7.019 1.988 1.00 0.00 C ATOM 280 CD1 PHE A 53 -0.860 8.091 2.582 1.00 0.00 C ATOM 281 CD2 PHE A 53 1.115 7.165 1.622 1.00 0.00 C ATOM 282 CE1 PHE A 53 -0.198 9.282 2.807 1.00 0.00 C ATOM 283 CE2 PHE A 53 1.783 8.355 1.846 1.00 0.00 C ATOM 284 CZ PHE A 53 1.125 9.414 2.439 1.00 0.00 C ATOM 0 H PHE A 53 -2.029 3.546 1.575 1.00 0.00 H new ATOM 0 HA PHE A 53 0.350 4.359 2.754 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.651 5.351 0.752 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.014 5.939 1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.896 7.994 2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.634 6.340 1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.715 10.109 3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.819 8.456 1.557 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.645 10.344 2.614 1.00 0.00 H new ATOM 294 N LEU A 54 -2.306 5.468 4.387 1.00 0.00 N ATOM 295 CA LEU A 54 -2.772 5.995 5.670 1.00 0.00 C ATOM 296 C LEU A 54 -2.782 4.922 6.765 1.00 0.00 C ATOM 297 O LEU A 54 -3.039 5.218 7.931 1.00 0.00 O ATOM 298 CB LEU A 54 -4.174 6.587 5.509 1.00 0.00 C ATOM 299 CG LEU A 54 -4.277 7.746 4.516 1.00 0.00 C ATOM 300 CD1 LEU A 54 -5.729 8.130 4.295 1.00 0.00 C ATOM 301 CD2 LEU A 54 -3.483 8.945 5.014 1.00 0.00 C ATOM 0 H LEU A 54 -3.036 5.391 3.679 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.074 6.773 5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.852 5.795 5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.521 6.931 6.483 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.856 7.422 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.783 8.956 3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.275 7.274 3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.173 8.436 5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.567 9.761 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.877 9.268 5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.435 8.666 5.126 1.00 0.00 H new ATOM 313 N ARG A 55 -2.515 3.680 6.387 1.00 0.00 N ATOM 314 CA ARG A 55 -2.450 2.583 7.346 1.00 0.00 C ATOM 315 C ARG A 55 -1.058 2.444 7.930 1.00 0.00 C ATOM 316 O ARG A 55 -0.898 2.100 9.099 1.00 0.00 O ATOM 317 CB ARG A 55 -2.845 1.264 6.687 1.00 0.00 C ATOM 318 CG ARG A 55 -4.322 1.158 6.388 1.00 0.00 C ATOM 319 CD ARG A 55 -5.137 1.041 7.664 1.00 0.00 C ATOM 320 NE ARG A 55 -4.715 -0.100 8.475 1.00 0.00 N ATOM 321 CZ ARG A 55 -4.867 -0.174 9.796 1.00 0.00 C ATOM 322 NH1 ARG A 55 -5.390 0.844 10.470 1.00 0.00 N ATOM 323 NH2 ARG A 55 -4.477 -1.260 10.446 1.00 0.00 N ATOM 0 H ARG A 55 -2.339 3.405 5.421 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.151 2.815 8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.285 1.149 5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.554 0.440 7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.645 2.035 5.827 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.506 0.289 5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.036 1.957 8.245 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.193 0.938 7.413 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.277 -0.889 7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.678 1.689 9.976 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.504 0.781 11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.061 -2.038 9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.593 -1.318 11.458 1.00 0.00 H new ATOM 337 N PHE A 56 -0.054 2.696 7.110 1.00 0.00 N ATOM 338 CA PHE A 56 1.324 2.514 7.530 1.00 0.00 C ATOM 339 C PHE A 56 2.050 3.844 7.691 1.00 0.00 C ATOM 340 O PHE A 56 3.136 3.895 8.268 1.00 0.00 O ATOM 341 CB PHE A 56 2.059 1.607 6.542 1.00 0.00 C ATOM 342 CG PHE A 56 1.676 0.160 6.674 1.00 0.00 C ATOM 343 CD1 PHE A 56 0.565 -0.343 6.015 1.00 0.00 C ATOM 344 CD2 PHE A 56 2.425 -0.697 7.466 1.00 0.00 C ATOM 345 CE1 PHE A 56 0.208 -1.671 6.144 1.00 0.00 C ATOM 346 CE2 PHE A 56 2.073 -2.027 7.596 1.00 0.00 C ATOM 347 CZ PHE A 56 0.963 -2.514 6.935 1.00 0.00 C ATOM 0 H PHE A 56 -0.166 3.027 6.152 1.00 0.00 H new ATOM 0 HA PHE A 56 1.315 2.036 8.509 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.849 1.941 5.526 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.133 1.708 6.695 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.028 0.311 5.393 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.293 -0.321 7.987 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.661 -2.050 5.627 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.666 -2.685 8.214 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.686 -3.553 7.037 1.00 0.00 H new ATOM 357 N THR A 57 1.453 4.921 7.196 1.00 0.00 N ATOM 358 CA THR A 57 2.059 6.245 7.344 1.00 0.00 C ATOM 359 C THR A 57 1.279 7.086 8.351 1.00 0.00 C ATOM 360 O THR A 57 1.580 8.262 8.566 1.00 0.00 O ATOM 361 CB THR A 57 2.142 7.009 6.001 1.00 0.00 C ATOM 362 OG1 THR A 57 0.841 7.445 5.595 1.00 0.00 O ATOM 363 CG2 THR A 57 2.736 6.131 4.909 1.00 0.00 C ATOM 0 H THR A 57 0.564 4.909 6.696 1.00 0.00 H new ATOM 0 HA THR A 57 3.075 6.082 7.704 1.00 0.00 H new ATOM 0 HB THR A 57 2.788 7.874 6.151 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.204 6.706 5.688 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.783 6.693 3.976 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.741 5.822 5.197 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.110 5.249 4.771 1.00 0.00 H new ATOM 371 N ALA A 58 0.280 6.471 8.972 1.00 0.00 N ATOM 372 CA ALA A 58 -0.582 7.161 9.920 1.00 0.00 C ATOM 373 C ALA A 58 -1.370 6.158 10.747 1.00 0.00 C ATOM 374 O ALA A 58 -1.410 4.969 10.423 1.00 0.00 O ATOM 375 CB ALA A 58 -1.535 8.095 9.186 1.00 0.00 C ATOM 0 H ALA A 58 0.047 5.488 8.834 1.00 0.00 H new ATOM 0 HA ALA A 58 0.044 7.752 10.589 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.173 8.604 9.908 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.961 8.833 8.625 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.153 7.517 8.499 1.00 0.00 H new ATOM 381 N ILE A 59 -1.988 6.636 11.818 1.00 0.00 N ATOM 382 CA ILE A 59 -2.846 5.796 12.641 1.00 0.00 C ATOM 383 C ILE A 59 -4.269 6.352 12.620 1.00 0.00 C ATOM 384 O ILE A 59 -4.898 6.571 13.660 1.00 0.00 O ATOM 385 CB ILE A 59 -2.356 5.696 14.102 1.00 0.00 C ATOM 386 CG1 ILE A 59 -0.844 5.431 14.168 1.00 0.00 C ATOM 387 CG2 ILE A 59 -3.115 4.586 14.808 1.00 0.00 C ATOM 388 CD1 ILE A 59 -0.422 4.101 13.578 1.00 0.00 C ATOM 0 H ILE A 59 -1.911 7.602 12.137 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.818 4.791 12.220 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.545 6.647 14.599 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.323 6.231 13.642 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.524 5.472 15.209 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.773 4.511 15.840 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.182 4.809 14.795 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.936 3.640 14.297 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.659 3.991 13.664 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.913 3.291 14.118 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.708 4.062 12.527 1.00 0.00 H new ATOM 400 N LYS A 60 -4.750 6.586 11.412 1.00 0.00 N ATOM 401 CA LYS A 60 -6.073 7.157 11.176 1.00 0.00 C ATOM 402 C LYS A 60 -6.275 7.426 9.689 1.00 0.00 C ATOM 403 O LYS A 60 -5.697 8.367 9.139 1.00 0.00 O ATOM 404 CB LYS A 60 -6.264 8.469 11.947 1.00 0.00 C ATOM 405 CG LYS A 60 -7.654 9.068 11.787 1.00 0.00 C ATOM 406 CD LYS A 60 -8.722 8.160 12.374 1.00 0.00 C ATOM 407 CE LYS A 60 -10.115 8.739 12.192 1.00 0.00 C ATOM 408 NZ LYS A 60 -11.146 7.901 12.857 1.00 0.00 N ATOM 0 H LYS A 60 -4.232 6.385 10.557 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.807 6.432 11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.073 8.291 13.005 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.523 9.193 11.607 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.691 10.040 12.278 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.859 9.237 10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.670 7.181 11.897 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.527 8.008 13.436 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.146 9.749 12.601 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.341 8.819 11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.084 8.325 12.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.132 6.945 12.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.944 7.846 13.876 1.00 0.00 H new ATOM 422 N PRO A 61 -7.074 6.595 9.011 1.00 0.00 N ATOM 423 CA PRO A 61 -7.453 6.830 7.624 1.00 0.00 C ATOM 424 C PRO A 61 -8.542 7.897 7.520 1.00 0.00 C ATOM 425 O PRO A 61 -9.513 7.883 8.279 1.00 0.00 O ATOM 426 CB PRO A 61 -7.982 5.468 7.145 1.00 0.00 C ATOM 427 CG PRO A 61 -7.772 4.516 8.283 1.00 0.00 C ATOM 428 CD PRO A 61 -7.660 5.354 9.524 1.00 0.00 C ATOM 0 HA PRO A 61 -6.619 7.195 7.025 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.037 5.531 6.880 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.449 5.134 6.255 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.604 3.816 8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.870 3.924 8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.631 5.525 9.989 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.025 4.885 10.276 1.00 0.00 H new ATOM 436 N SER A 62 -8.360 8.824 6.587 1.00 0.00 N ATOM 437 CA SER A 62 -9.293 9.924 6.384 1.00 0.00 C ATOM 438 C SER A 62 -10.691 9.401 6.048 1.00 0.00 C ATOM 439 O SER A 62 -10.845 8.465 5.258 1.00 0.00 O ATOM 440 CB SER A 62 -8.781 10.809 5.251 1.00 0.00 C ATOM 441 OG SER A 62 -7.397 11.084 5.406 1.00 0.00 O ATOM 0 H SER A 62 -7.563 8.834 5.951 1.00 0.00 H new ATOM 0 HA SER A 62 -9.363 10.503 7.305 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.953 10.316 4.294 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.341 11.744 5.233 1.00 0.00 H new ATOM 0 HG SER A 62 -7.091 11.651 4.667 1.00 0.00 H new ATOM 447 N LEU A 63 -11.702 10.032 6.644 1.00 0.00 N ATOM 448 CA LEU A 63 -13.087 9.575 6.541 1.00 0.00 C ATOM 449 C LEU A 63 -13.601 9.606 5.105 1.00 0.00 C ATOM 450 O LEU A 63 -14.506 8.851 4.752 1.00 0.00 O ATOM 451 CB LEU A 63 -13.991 10.424 7.437 1.00 0.00 C ATOM 452 CG LEU A 63 -13.688 10.343 8.934 1.00 0.00 C ATOM 453 CD1 LEU A 63 -14.619 11.255 9.716 1.00 0.00 C ATOM 454 CD2 LEU A 63 -13.807 8.908 9.428 1.00 0.00 C ATOM 0 H LEU A 63 -11.584 10.872 7.210 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.110 8.537 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.912 11.465 7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -15.025 10.119 7.275 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.663 10.677 9.095 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -14.389 11.185 10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.484 12.284 9.383 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.652 10.951 9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.588 8.871 10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.820 8.546 9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.098 8.278 8.890 1.00 0.00 H new ATOM 466 N GLY A 64 -13.034 10.482 4.284 1.00 0.00 N ATOM 467 CA GLY A 64 -13.387 10.510 2.878 1.00 0.00 C ATOM 468 C GLY A 64 -12.992 9.221 2.191 1.00 0.00 C ATOM 469 O GLY A 64 -13.788 8.614 1.463 1.00 0.00 O ATOM 0 H GLY A 64 -12.338 11.172 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.460 10.668 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.892 11.351 2.392 1.00 0.00 H new ATOM 473 N LEU A 65 -11.763 8.789 2.445 1.00 0.00 N ATOM 474 CA LEU A 65 -11.270 7.535 1.908 1.00 0.00 C ATOM 475 C LEU A 65 -12.066 6.371 2.479 1.00 0.00 C ATOM 476 O LEU A 65 -12.402 5.448 1.759 1.00 0.00 O ATOM 477 CB LEU A 65 -9.774 7.357 2.205 1.00 0.00 C ATOM 478 CG LEU A 65 -8.809 8.109 1.275 1.00 0.00 C ATOM 479 CD1 LEU A 65 -9.001 7.673 -0.171 1.00 0.00 C ATOM 480 CD2 LEU A 65 -8.976 9.617 1.403 1.00 0.00 C ATOM 0 H LEU A 65 -11.090 9.294 3.022 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.398 7.554 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.586 7.680 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.538 6.294 2.158 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.794 7.857 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.307 8.219 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.809 6.603 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.024 7.884 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.279 10.119 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.997 9.894 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.772 9.920 2.430 1.00 0.00 H new ATOM 492 N ILE A 66 -12.387 6.443 3.770 1.00 0.00 N ATOM 493 CA ILE A 66 -13.189 5.410 4.432 1.00 0.00 C ATOM 494 C ILE A 66 -14.558 5.270 3.772 1.00 0.00 C ATOM 495 O ILE A 66 -15.038 4.160 3.530 1.00 0.00 O ATOM 496 CB ILE A 66 -13.379 5.726 5.933 1.00 0.00 C ATOM 497 CG1 ILE A 66 -12.029 5.702 6.646 1.00 0.00 C ATOM 498 CG2 ILE A 66 -14.348 4.746 6.587 1.00 0.00 C ATOM 499 CD1 ILE A 66 -11.372 4.336 6.664 1.00 0.00 C ATOM 0 H ILE A 66 -12.104 7.208 4.382 1.00 0.00 H new ATOM 0 HA ILE A 66 -12.646 4.470 4.332 1.00 0.00 H new ATOM 0 HB ILE A 66 -13.809 6.724 6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.359 6.411 6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.164 6.044 7.672 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.460 4.995 7.642 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -15.318 4.810 6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -13.959 3.732 6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -10.418 4.398 7.187 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.022 3.627 7.177 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.204 4.000 5.641 1.00 0.00 H new ATOM 511 N ASN A 67 -15.174 6.406 3.478 1.00 0.00 N ATOM 512 CA ASN A 67 -16.476 6.429 2.820 1.00 0.00 C ATOM 513 C ASN A 67 -16.427 5.693 1.485 1.00 0.00 C ATOM 514 O ASN A 67 -17.324 4.915 1.162 1.00 0.00 O ATOM 515 CB ASN A 67 -16.942 7.874 2.606 1.00 0.00 C ATOM 516 CG ASN A 67 -18.233 7.964 1.806 1.00 0.00 C ATOM 517 OD1 ASN A 67 -18.214 8.068 0.579 1.00 0.00 O ATOM 518 ND2 ASN A 67 -19.365 7.926 2.493 1.00 0.00 N ATOM 0 H ASN A 67 -14.792 7.329 3.685 1.00 0.00 H new ATOM 0 HA ASN A 67 -17.189 5.919 3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -17.086 8.352 3.575 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -16.160 8.431 2.089 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -20.259 7.984 2.006 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -19.342 7.839 3.509 1.00 0.00 H new ATOM 525 N ARG A 68 -15.368 5.919 0.720 1.00 0.00 N ATOM 526 CA ARG A 68 -15.251 5.296 -0.594 1.00 0.00 C ATOM 527 C ARG A 68 -14.705 3.875 -0.457 1.00 0.00 C ATOM 528 O ARG A 68 -14.935 3.023 -1.311 1.00 0.00 O ATOM 529 CB ARG A 68 -14.357 6.141 -1.501 1.00 0.00 C ATOM 530 CG ARG A 68 -14.604 5.915 -2.986 1.00 0.00 C ATOM 531 CD ARG A 68 -13.858 6.938 -3.827 1.00 0.00 C ATOM 532 NE ARG A 68 -14.173 8.304 -3.413 1.00 0.00 N ATOM 533 CZ ARG A 68 -13.325 9.329 -3.494 1.00 0.00 C ATOM 534 NH1 ARG A 68 -12.126 9.170 -4.046 1.00 0.00 N ATOM 535 NH2 ARG A 68 -13.685 10.520 -3.033 1.00 0.00 N ATOM 0 H ARG A 68 -14.586 6.521 0.980 1.00 0.00 H new ATOM 0 HA ARG A 68 -16.240 5.238 -1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.515 7.195 -1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.314 5.919 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.284 4.910 -3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.672 5.978 -3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.785 6.769 -3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.118 6.806 -4.877 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.104 8.485 -3.037 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.850 8.259 -4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.483 9.959 -4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.608 10.649 -2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.039 11.307 -3.093 1.00 0.00 H new ATOM 549 N TRP A 69 -14.001 3.644 0.640 1.00 0.00 N ATOM 550 CA TRP A 69 -13.451 2.339 0.996 1.00 0.00 C ATOM 551 C TRP A 69 -14.567 1.312 1.162 1.00 0.00 C ATOM 552 O TRP A 69 -14.544 0.252 0.541 1.00 0.00 O ATOM 553 CB TRP A 69 -12.637 2.520 2.283 1.00 0.00 C ATOM 554 CG TRP A 69 -12.264 1.279 3.033 1.00 0.00 C ATOM 555 CD1 TRP A 69 -11.268 0.397 2.740 1.00 0.00 C ATOM 556 CD2 TRP A 69 -12.860 0.822 4.247 1.00 0.00 C ATOM 557 NE1 TRP A 69 -11.202 -0.576 3.709 1.00 0.00 N ATOM 558 CE2 TRP A 69 -12.177 -0.339 4.640 1.00 0.00 C ATOM 559 CE3 TRP A 69 -13.910 1.286 5.036 1.00 0.00 C ATOM 560 CZ2 TRP A 69 -12.509 -1.039 5.793 1.00 0.00 C ATOM 561 CZ3 TRP A 69 -14.243 0.592 6.178 1.00 0.00 C ATOM 562 CH2 TRP A 69 -13.542 -0.559 6.550 1.00 0.00 C ATOM 0 H TRP A 69 -13.790 4.371 1.324 1.00 0.00 H new ATOM 0 HA TRP A 69 -12.803 1.959 0.206 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -11.720 3.052 2.031 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -13.205 3.164 2.955 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -10.625 0.454 1.874 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -10.536 -1.348 3.731 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -14.454 2.176 4.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -11.971 -1.930 6.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -15.057 0.942 6.795 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -13.822 -1.080 7.454 1.00 0.00 H new ATOM 573 N GLY A 70 -15.558 1.649 1.977 1.00 0.00 N ATOM 574 CA GLY A 70 -16.717 0.790 2.140 1.00 0.00 C ATOM 575 C GLY A 70 -17.583 0.743 0.889 1.00 0.00 C ATOM 576 O GLY A 70 -18.458 -0.113 0.760 1.00 0.00 O ATOM 0 H GLY A 70 -15.581 2.505 2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.387 -0.219 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.315 1.145 2.979 1.00 0.00 H new ATOM 580 N SER A 71 -17.332 1.662 -0.038 1.00 0.00 N ATOM 581 CA SER A 71 -18.093 1.729 -1.279 1.00 0.00 C ATOM 582 C SER A 71 -17.449 0.867 -2.364 1.00 0.00 C ATOM 583 O SER A 71 -17.965 0.761 -3.477 1.00 0.00 O ATOM 584 CB SER A 71 -18.207 3.178 -1.755 1.00 0.00 C ATOM 585 OG SER A 71 -18.866 3.985 -0.790 1.00 0.00 O ATOM 0 H SER A 71 -16.605 2.372 0.048 1.00 0.00 H new ATOM 0 HA SER A 71 -19.093 1.341 -1.084 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.212 3.579 -1.950 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.755 3.212 -2.697 1.00 0.00 H new ATOM 0 HG SER A 71 -18.332 4.014 0.031 1.00 0.00 H new ATOM 591 N VAL A 72 -16.321 0.259 -2.037 1.00 0.00 N ATOM 592 CA VAL A 72 -15.654 -0.654 -2.950 1.00 0.00 C ATOM 593 C VAL A 72 -16.361 -2.003 -2.923 1.00 0.00 C ATOM 594 O VAL A 72 -16.781 -2.467 -1.861 1.00 0.00 O ATOM 595 CB VAL A 72 -14.168 -0.847 -2.569 1.00 0.00 C ATOM 596 CG1 VAL A 72 -13.464 -1.767 -3.556 1.00 0.00 C ATOM 597 CG2 VAL A 72 -13.454 0.492 -2.486 1.00 0.00 C ATOM 0 H VAL A 72 -15.846 0.382 -1.143 1.00 0.00 H new ATOM 0 HA VAL A 72 -15.697 -0.225 -3.951 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.134 -1.317 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.421 -1.885 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.953 -2.741 -3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.514 -1.335 -4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -12.410 0.332 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -13.506 0.993 -3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -13.933 1.113 -1.729 1.00 0.00 H new ATOM 607 N GLY A 73 -16.531 -2.613 -4.093 1.00 0.00 N ATOM 608 CA GLY A 73 -17.088 -3.942 -4.149 1.00 0.00 C ATOM 609 C GLY A 73 -16.226 -4.905 -3.373 1.00 0.00 C ATOM 610 O GLY A 73 -15.020 -4.952 -3.575 1.00 0.00 O ATOM 0 H GLY A 73 -16.292 -2.207 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.098 -3.937 -3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.165 -4.268 -5.186 1.00 0.00 H new ATOM 614 N LYS A 74 -16.837 -5.665 -2.485 1.00 0.00 N ATOM 615 CA LYS A 74 -16.097 -6.533 -1.575 1.00 0.00 C ATOM 616 C LYS A 74 -15.441 -7.661 -2.338 1.00 0.00 C ATOM 617 O LYS A 74 -14.447 -8.239 -1.905 1.00 0.00 O ATOM 618 CB LYS A 74 -17.041 -7.050 -0.499 1.00 0.00 C ATOM 619 CG LYS A 74 -17.767 -5.899 0.153 1.00 0.00 C ATOM 620 CD LYS A 74 -19.216 -5.802 -0.280 1.00 0.00 C ATOM 621 CE LYS A 74 -19.732 -4.378 -0.126 1.00 0.00 C ATOM 622 NZ LYS A 74 -21.092 -4.200 -0.700 1.00 0.00 N ATOM 0 H LYS A 74 -17.850 -5.702 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.300 -5.969 -1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.760 -7.742 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.479 -7.607 0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -17.722 -6.013 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -17.256 -4.968 -0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -19.312 -6.118 -1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -19.825 -6.481 0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.750 -4.114 0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -19.042 -3.690 -0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -21.398 -3.214 -0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.073 -4.425 -1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.759 -4.836 -0.217 1.00 0.00 H new ATOM 636 N LYS A 75 -16.007 -7.942 -3.485 1.00 0.00 N ATOM 637 CA LYS A 75 -15.399 -8.860 -4.436 1.00 0.00 C ATOM 638 C LYS A 75 -14.218 -8.184 -5.125 1.00 0.00 C ATOM 639 O LYS A 75 -13.125 -8.746 -5.217 1.00 0.00 O ATOM 640 CB LYS A 75 -16.423 -9.306 -5.481 1.00 0.00 C ATOM 641 CG LYS A 75 -15.820 -10.106 -6.630 1.00 0.00 C ATOM 642 CD LYS A 75 -15.078 -11.339 -6.137 1.00 0.00 C ATOM 643 CE LYS A 75 -14.342 -12.037 -7.270 1.00 0.00 C ATOM 644 NZ LYS A 75 -15.263 -12.472 -8.353 1.00 0.00 N ATOM 0 H LYS A 75 -16.896 -7.548 -3.791 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.047 -9.739 -3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -17.188 -9.910 -4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -16.922 -8.426 -5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.611 -10.409 -7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.136 -9.472 -7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.367 -11.051 -5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.785 -12.032 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.591 -11.363 -7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.811 -12.904 -6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.743 -13.059 -9.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.043 -13.025 -7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.648 -11.636 -8.838 1.00 0.00 H new ATOM 658 N GLU A 76 -14.450 -6.963 -5.590 1.00 0.00 N ATOM 659 CA GLU A 76 -13.432 -6.201 -6.292 1.00 0.00 C ATOM 660 C GLU A 76 -12.246 -5.933 -5.377 1.00 0.00 C ATOM 661 O GLU A 76 -11.100 -6.003 -5.805 1.00 0.00 O ATOM 662 CB GLU A 76 -14.013 -4.880 -6.796 1.00 0.00 C ATOM 663 CG GLU A 76 -13.123 -4.166 -7.798 1.00 0.00 C ATOM 664 CD GLU A 76 -12.965 -4.942 -9.092 1.00 0.00 C ATOM 665 OE1 GLU A 76 -13.984 -5.176 -9.777 1.00 0.00 O ATOM 666 OE2 GLU A 76 -11.824 -5.303 -9.443 1.00 0.00 O ATOM 0 H GLU A 76 -15.342 -6.479 -5.491 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.091 -6.785 -7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.983 -5.071 -7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.188 -4.222 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.542 -3.184 -8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.141 -4.002 -7.354 1.00 0.00 H new ATOM 673 N ALA A 77 -12.534 -5.638 -4.112 1.00 0.00 N ATOM 674 CA ALA A 77 -11.499 -5.397 -3.120 1.00 0.00 C ATOM 675 C ALA A 77 -10.578 -6.603 -2.996 1.00 0.00 C ATOM 676 O ALA A 77 -9.365 -6.451 -2.867 1.00 0.00 O ATOM 677 CB ALA A 77 -12.125 -5.057 -1.776 1.00 0.00 C ATOM 0 H ALA A 77 -13.485 -5.561 -3.751 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.899 -4.548 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.338 -4.879 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.737 -4.161 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.749 -5.887 -1.445 1.00 0.00 H new ATOM 683 N MET A 78 -11.158 -7.800 -3.053 1.00 0.00 N ATOM 684 CA MET A 78 -10.374 -9.031 -3.019 1.00 0.00 C ATOM 685 C MET A 78 -9.425 -9.071 -4.204 1.00 0.00 C ATOM 686 O MET A 78 -8.248 -9.403 -4.065 1.00 0.00 O ATOM 687 CB MET A 78 -11.280 -10.265 -3.054 1.00 0.00 C ATOM 688 CG MET A 78 -12.209 -10.392 -1.859 1.00 0.00 C ATOM 689 SD MET A 78 -13.239 -11.871 -1.935 1.00 0.00 S ATOM 690 CE MET A 78 -11.993 -13.157 -1.862 1.00 0.00 C ATOM 0 H MET A 78 -12.166 -7.943 -3.123 1.00 0.00 H new ATOM 0 HA MET A 78 -9.807 -9.043 -2.088 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.879 -10.236 -3.964 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.657 -11.157 -3.111 1.00 0.00 H new ATOM 0 HG2 MET A 78 -11.617 -10.413 -0.944 1.00 0.00 H new ATOM 0 HG3 MET A 78 -12.848 -9.511 -1.805 1.00 0.00 H new ATOM 0 HE1 MET A 78 -12.451 -14.088 -1.528 1.00 0.00 H new ATOM 0 HE2 MET A 78 -11.559 -13.300 -2.852 1.00 0.00 H new ATOM 0 HE3 MET A 78 -11.210 -12.866 -1.161 1.00 0.00 H new ATOM 700 N GLU A 79 -9.952 -8.717 -5.369 1.00 0.00 N ATOM 701 CA GLU A 79 -9.164 -8.686 -6.591 1.00 0.00 C ATOM 702 C GLU A 79 -8.076 -7.617 -6.508 1.00 0.00 C ATOM 703 O GLU A 79 -6.929 -7.853 -6.892 1.00 0.00 O ATOM 704 CB GLU A 79 -10.069 -8.426 -7.795 1.00 0.00 C ATOM 705 CG GLU A 79 -11.155 -9.474 -7.973 1.00 0.00 C ATOM 706 CD GLU A 79 -11.970 -9.260 -9.231 1.00 0.00 C ATOM 707 OE1 GLU A 79 -11.387 -9.318 -10.335 1.00 0.00 O ATOM 708 OE2 GLU A 79 -13.197 -9.050 -9.132 1.00 0.00 O ATOM 0 H GLU A 79 -10.928 -8.446 -5.492 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.682 -9.656 -6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.535 -7.447 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.459 -8.389 -8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.698 -10.463 -8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.818 -9.456 -7.108 1.00 0.00 H new ATOM 715 N ILE A 80 -8.445 -6.446 -5.996 1.00 0.00 N ATOM 716 CA ILE A 80 -7.507 -5.340 -5.837 1.00 0.00 C ATOM 717 C ILE A 80 -6.377 -5.726 -4.891 1.00 0.00 C ATOM 718 O ILE A 80 -5.207 -5.614 -5.243 1.00 0.00 O ATOM 719 CB ILE A 80 -8.200 -4.067 -5.294 1.00 0.00 C ATOM 720 CG1 ILE A 80 -9.308 -3.607 -6.244 1.00 0.00 C ATOM 721 CG2 ILE A 80 -7.181 -2.950 -5.096 1.00 0.00 C ATOM 722 CD1 ILE A 80 -10.165 -2.490 -5.686 1.00 0.00 C ATOM 0 H ILE A 80 -9.393 -6.239 -5.683 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.107 -5.123 -6.827 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.649 -4.308 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.857 -3.275 -7.179 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.946 -4.458 -6.482 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.684 -2.062 -4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.422 -3.272 -4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.707 -2.716 -6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.928 -2.218 -6.415 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.645 -2.824 -4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.540 -1.623 -5.474 1.00 0.00 H new ATOM 734 N ILE A 81 -6.740 -6.195 -3.702 1.00 0.00 N ATOM 735 CA ILE A 81 -5.762 -6.574 -2.687 1.00 0.00 C ATOM 736 C ILE A 81 -4.840 -7.680 -3.196 1.00 0.00 C ATOM 737 O ILE A 81 -3.635 -7.655 -2.946 1.00 0.00 O ATOM 738 CB ILE A 81 -6.457 -7.026 -1.380 1.00 0.00 C ATOM 739 CG1 ILE A 81 -7.199 -5.851 -0.731 1.00 0.00 C ATOM 740 CG2 ILE A 81 -5.455 -7.626 -0.404 1.00 0.00 C ATOM 741 CD1 ILE A 81 -6.304 -4.684 -0.361 1.00 0.00 C ATOM 0 H ILE A 81 -7.711 -6.323 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.160 -5.691 -2.472 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.182 -7.798 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.972 -5.500 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.705 -6.206 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.972 -7.934 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.976 -8.492 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.698 -6.882 -0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.904 -3.895 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.547 -5.017 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.817 -4.300 -1.258 1.00 0.00 H new ATOM 753 N LYS A 82 -5.406 -8.635 -3.923 1.00 0.00 N ATOM 754 CA LYS A 82 -4.627 -9.727 -4.496 1.00 0.00 C ATOM 755 C LYS A 82 -3.551 -9.188 -5.439 1.00 0.00 C ATOM 756 O LYS A 82 -2.370 -9.517 -5.307 1.00 0.00 O ATOM 757 CB LYS A 82 -5.553 -10.695 -5.238 1.00 0.00 C ATOM 758 CG LYS A 82 -4.832 -11.867 -5.885 1.00 0.00 C ATOM 759 CD LYS A 82 -5.810 -12.851 -6.513 1.00 0.00 C ATOM 760 CE LYS A 82 -6.695 -13.519 -5.468 1.00 0.00 C ATOM 761 NZ LYS A 82 -5.902 -14.297 -4.479 1.00 0.00 N ATOM 0 H LYS A 82 -6.404 -8.676 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.130 -10.263 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.295 -11.080 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.095 -10.145 -6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.147 -11.497 -6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.228 -12.381 -5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.435 -12.329 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.256 -13.614 -7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.278 -12.759 -4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.405 -14.181 -5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.538 -14.907 -3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.205 -14.886 -4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.407 -13.643 -3.839 1.00 0.00 H new ATOM 775 N LYS A 83 -3.962 -8.341 -6.373 1.00 0.00 N ATOM 776 CA LYS A 83 -3.038 -7.763 -7.342 1.00 0.00 C ATOM 777 C LYS A 83 -2.116 -6.743 -6.676 1.00 0.00 C ATOM 778 O LYS A 83 -0.999 -6.501 -7.142 1.00 0.00 O ATOM 779 CB LYS A 83 -3.815 -7.125 -8.495 1.00 0.00 C ATOM 780 CG LYS A 83 -4.563 -8.146 -9.341 1.00 0.00 C ATOM 781 CD LYS A 83 -5.373 -7.492 -10.449 1.00 0.00 C ATOM 782 CE LYS A 83 -6.581 -6.744 -9.905 1.00 0.00 C ATOM 783 NZ LYS A 83 -7.390 -6.133 -10.992 1.00 0.00 N ATOM 0 H LYS A 83 -4.930 -8.038 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.414 -8.561 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.526 -6.403 -8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.124 -6.571 -9.130 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.850 -8.845 -9.779 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.228 -8.727 -8.702 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.738 -6.801 -11.003 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.705 -8.254 -11.154 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.204 -7.429 -9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.247 -5.965 -9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.203 -5.633 -10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.803 -5.460 -11.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.730 -6.878 -11.633 1.00 0.00 H new ATOM 797 N PHE A 84 -2.591 -6.156 -5.586 1.00 0.00 N ATOM 798 CA PHE A 84 -1.792 -5.238 -4.787 1.00 0.00 C ATOM 799 C PHE A 84 -0.617 -5.994 -4.175 1.00 0.00 C ATOM 800 O PHE A 84 0.534 -5.565 -4.266 1.00 0.00 O ATOM 801 CB PHE A 84 -2.659 -4.618 -3.685 1.00 0.00 C ATOM 802 CG PHE A 84 -2.150 -3.310 -3.154 1.00 0.00 C ATOM 803 CD1 PHE A 84 -2.734 -2.119 -3.552 1.00 0.00 C ATOM 804 CD2 PHE A 84 -1.098 -3.268 -2.255 1.00 0.00 C ATOM 805 CE1 PHE A 84 -2.279 -0.911 -3.064 1.00 0.00 C ATOM 806 CE2 PHE A 84 -0.638 -2.062 -1.764 1.00 0.00 C ATOM 807 CZ PHE A 84 -1.230 -0.882 -2.169 1.00 0.00 C ATOM 0 H PHE A 84 -3.536 -6.302 -5.232 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.410 -4.437 -5.421 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.667 -4.471 -4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.736 -5.326 -2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.556 -2.136 -4.253 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.632 -4.188 -1.934 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.744 0.010 -3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.184 -2.042 -1.064 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.872 0.062 -1.786 1.00 0.00 H new ATOM 817 N LYS A 85 -0.924 -7.140 -3.573 1.00 0.00 N ATOM 818 CA LYS A 85 0.092 -8.009 -2.992 1.00 0.00 C ATOM 819 C LYS A 85 1.088 -8.469 -4.052 1.00 0.00 C ATOM 820 O LYS A 85 2.277 -8.638 -3.769 1.00 0.00 O ATOM 821 CB LYS A 85 -0.557 -9.231 -2.335 1.00 0.00 C ATOM 822 CG LYS A 85 -1.441 -8.901 -1.143 1.00 0.00 C ATOM 823 CD LYS A 85 -1.987 -10.165 -0.498 1.00 0.00 C ATOM 824 CE LYS A 85 -2.797 -9.849 0.747 1.00 0.00 C ATOM 825 NZ LYS A 85 -3.318 -11.078 1.397 1.00 0.00 N ATOM 0 H LYS A 85 -1.877 -7.489 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 85 0.625 -7.435 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.153 -9.757 -3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.227 -9.916 -2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.870 -8.333 -0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.267 -8.267 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.612 -10.699 -1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.162 -10.828 -0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.175 -9.300 1.454 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.630 -9.198 0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.276 -10.899 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.350 -11.851 0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.693 -11.346 2.184 1.00 0.00 H new ATOM 839 N LYS A 86 0.594 -8.673 -5.269 1.00 0.00 N ATOM 840 CA LYS A 86 1.437 -9.109 -6.376 1.00 0.00 C ATOM 841 C LYS A 86 2.475 -8.050 -6.737 1.00 0.00 C ATOM 842 O LYS A 86 3.639 -8.377 -6.981 1.00 0.00 O ATOM 843 CB LYS A 86 0.587 -9.449 -7.604 1.00 0.00 C ATOM 844 CG LYS A 86 -0.338 -10.640 -7.402 1.00 0.00 C ATOM 845 CD LYS A 86 0.435 -11.892 -7.022 1.00 0.00 C ATOM 846 CE LYS A 86 -0.484 -13.091 -6.864 1.00 0.00 C ATOM 847 NZ LYS A 86 0.260 -14.310 -6.451 1.00 0.00 N ATOM 0 H LYS A 86 -0.388 -8.543 -5.514 1.00 0.00 H new ATOM 0 HA LYS A 86 1.964 -10.006 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.011 -8.578 -7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.248 -9.653 -8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.064 -10.409 -6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.901 -10.823 -8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.183 -12.104 -7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.972 -11.719 -6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.251 -12.865 -6.123 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.998 -13.281 -7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.403 -15.105 -6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.975 -14.541 -7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.729 -14.138 -5.539 1.00 0.00 H new ATOM 861 N ASP A 87 2.065 -6.785 -6.759 1.00 0.00 N ATOM 862 CA ASP A 87 2.989 -5.703 -7.092 1.00 0.00 C ATOM 863 C ASP A 87 3.969 -5.483 -5.949 1.00 0.00 C ATOM 864 O ASP A 87 5.142 -5.184 -6.171 1.00 0.00 O ATOM 865 CB ASP A 87 2.241 -4.404 -7.402 1.00 0.00 C ATOM 866 CG ASP A 87 3.157 -3.334 -7.975 1.00 0.00 C ATOM 867 OD1 ASP A 87 3.764 -3.575 -9.041 1.00 0.00 O ATOM 868 OD2 ASP A 87 3.252 -2.235 -7.389 1.00 0.00 O ATOM 0 H ASP A 87 1.112 -6.485 -6.553 1.00 0.00 H new ATOM 0 HA ASP A 87 3.539 -5.994 -7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.438 -4.610 -8.110 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.774 -4.030 -6.491 1.00 0.00 H new ATOM 873 N LEU A 88 3.483 -5.654 -4.723 1.00 0.00 N ATOM 874 CA LEU A 88 4.339 -5.592 -3.544 1.00 0.00 C ATOM 875 C LEU A 88 5.435 -6.643 -3.640 1.00 0.00 C ATOM 876 O LEU A 88 6.605 -6.369 -3.371 1.00 0.00 O ATOM 877 CB LEU A 88 3.526 -5.821 -2.269 1.00 0.00 C ATOM 878 CG LEU A 88 2.501 -4.740 -1.932 1.00 0.00 C ATOM 879 CD1 LEU A 88 1.732 -5.120 -0.678 1.00 0.00 C ATOM 880 CD2 LEU A 88 3.179 -3.390 -1.752 1.00 0.00 C ATOM 0 H LEU A 88 2.500 -5.837 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 88 4.787 -4.599 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.005 -6.774 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.217 -5.914 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 88 1.800 -4.659 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.004 -4.342 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.214 -6.065 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.426 -5.226 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.430 -2.636 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.904 -3.452 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.690 -3.114 -2.674 1.00 0.00 H new ATOM 892 N ALA A 89 5.040 -7.846 -4.037 1.00 0.00 N ATOM 893 CA ALA A 89 5.975 -8.945 -4.216 1.00 0.00 C ATOM 894 C ALA A 89 6.989 -8.619 -5.303 1.00 0.00 C ATOM 895 O ALA A 89 8.175 -8.914 -5.167 1.00 0.00 O ATOM 896 CB ALA A 89 5.223 -10.218 -4.560 1.00 0.00 C ATOM 0 H ALA A 89 4.070 -8.085 -4.242 1.00 0.00 H new ATOM 0 HA ALA A 89 6.515 -9.095 -3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.932 -11.035 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.534 -10.463 -3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.663 -10.071 -5.483 1.00 0.00 H new ATOM 902 N ALA A 90 6.513 -7.997 -6.374 1.00 0.00 N ATOM 903 CA ALA A 90 7.372 -7.614 -7.482 1.00 0.00 C ATOM 904 C ALA A 90 8.408 -6.593 -7.030 1.00 0.00 C ATOM 905 O ALA A 90 9.596 -6.737 -7.318 1.00 0.00 O ATOM 906 CB ALA A 90 6.540 -7.061 -8.629 1.00 0.00 C ATOM 0 H ALA A 90 5.532 -7.747 -6.497 1.00 0.00 H new ATOM 0 HA ALA A 90 7.899 -8.501 -7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.197 -6.778 -9.452 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.839 -7.823 -8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.988 -6.185 -8.289 1.00 0.00 H new ATOM 912 N MET A 91 7.953 -5.575 -6.303 1.00 0.00 N ATOM 913 CA MET A 91 8.842 -4.534 -5.793 1.00 0.00 C ATOM 914 C MET A 91 9.850 -5.119 -4.811 1.00 0.00 C ATOM 915 O MET A 91 11.017 -4.729 -4.800 1.00 0.00 O ATOM 916 CB MET A 91 8.043 -3.416 -5.117 1.00 0.00 C ATOM 917 CG MET A 91 7.091 -2.686 -6.053 1.00 0.00 C ATOM 918 SD MET A 91 7.920 -1.974 -7.490 1.00 0.00 S ATOM 919 CE MET A 91 9.031 -0.802 -6.715 1.00 0.00 C ATOM 0 H MET A 91 6.972 -5.449 -6.054 1.00 0.00 H new ATOM 0 HA MET A 91 9.382 -4.112 -6.641 1.00 0.00 H new ATOM 0 HB2 MET A 91 7.471 -3.840 -4.291 1.00 0.00 H new ATOM 0 HB3 MET A 91 8.738 -2.695 -4.687 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.321 -3.379 -6.391 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.586 -1.893 -5.502 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.622 -0.299 -7.481 1.00 0.00 H new ATOM 0 HE2 MET A 91 8.452 -0.064 -6.161 1.00 0.00 H new ATOM 0 HE3 MET A 91 9.697 -1.329 -6.031 1.00 0.00 H new ATOM 929 N LEU A 92 9.388 -6.060 -3.994 1.00 0.00 N ATOM 930 CA LEU A 92 10.250 -6.766 -3.050 1.00 0.00 C ATOM 931 C LEU A 92 11.374 -7.488 -3.787 1.00 0.00 C ATOM 932 O LEU A 92 12.550 -7.413 -3.401 1.00 0.00 O ATOM 933 CB LEU A 92 9.420 -7.771 -2.244 1.00 0.00 C ATOM 934 CG LEU A 92 10.216 -8.692 -1.318 1.00 0.00 C ATOM 935 CD1 LEU A 92 11.013 -7.882 -0.313 1.00 0.00 C ATOM 936 CD2 LEU A 92 9.283 -9.659 -0.606 1.00 0.00 C ATOM 0 H LEU A 92 8.412 -6.354 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 92 10.695 -6.039 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.696 -7.219 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.852 -8.388 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 92 10.917 -9.268 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.572 -8.556 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.707 -7.228 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.333 -7.279 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.863 -10.308 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.560 -9.098 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.756 -10.265 -1.343 1.00 0.00 H new ATOM 948 N ARG A 93 11.005 -8.177 -4.858 1.00 0.00 N ATOM 949 CA ARG A 93 11.969 -8.885 -5.680 1.00 0.00 C ATOM 950 C ARG A 93 13.015 -7.927 -6.231 1.00 0.00 C ATOM 951 O ARG A 93 14.187 -8.276 -6.328 1.00 0.00 O ATOM 952 CB ARG A 93 11.275 -9.616 -6.823 1.00 0.00 C ATOM 953 CG ARG A 93 10.421 -10.782 -6.363 1.00 0.00 C ATOM 954 CD ARG A 93 9.798 -11.508 -7.539 1.00 0.00 C ATOM 955 NE ARG A 93 10.809 -12.058 -8.441 1.00 0.00 N ATOM 956 CZ ARG A 93 10.533 -12.840 -9.484 1.00 0.00 C ATOM 957 NH1 ARG A 93 9.277 -13.162 -9.761 1.00 0.00 N ATOM 958 NH2 ARG A 93 11.517 -13.298 -10.248 1.00 0.00 N ATOM 0 H ARG A 93 10.040 -8.259 -5.177 1.00 0.00 H new ATOM 0 HA ARG A 93 12.468 -9.621 -5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.649 -8.910 -7.369 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.028 -9.980 -7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.031 -11.477 -5.786 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.636 -10.420 -5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.162 -12.314 -7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.156 -10.821 -8.090 1.00 0.00 H new ATOM 0 HE ARG A 93 11.786 -11.829 -8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.519 -12.811 -9.175 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.068 -13.761 -10.560 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.484 -13.051 -10.037 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.306 -13.897 -11.047 1.00 0.00 H new ATOM 972 N ILE A 94 12.590 -6.714 -6.576 1.00 0.00 N ATOM 973 CA ILE A 94 13.507 -5.709 -7.098 1.00 0.00 C ATOM 974 C ILE A 94 14.464 -5.230 -6.006 1.00 0.00 C ATOM 975 O ILE A 94 15.638 -4.973 -6.278 1.00 0.00 O ATOM 976 CB ILE A 94 12.765 -4.496 -7.690 1.00 0.00 C ATOM 977 CG1 ILE A 94 11.649 -4.953 -8.631 1.00 0.00 C ATOM 978 CG2 ILE A 94 13.744 -3.606 -8.444 1.00 0.00 C ATOM 979 CD1 ILE A 94 10.803 -3.819 -9.169 1.00 0.00 C ATOM 0 H ILE A 94 11.620 -6.406 -6.503 1.00 0.00 H new ATOM 0 HA ILE A 94 14.071 -6.187 -7.899 1.00 0.00 H new ATOM 0 HB ILE A 94 12.320 -3.930 -6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.091 -5.494 -9.468 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.005 -5.655 -8.102 1.00 0.00 H new ATOM 0 HG21 ILE A 94 13.212 -2.750 -8.860 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.517 -3.255 -7.761 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.204 -4.174 -9.252 1.00 0.00 H new ATOM 0 HD11 ILE A 94 10.033 -4.220 -9.828 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.332 -3.292 -8.340 1.00 0.00 H new ATOM 0 HD13 ILE A 94 11.434 -3.127 -9.727 1.00 0.00 H new ATOM 991 N ILE A 95 13.961 -5.120 -4.772 1.00 0.00 N ATOM 992 CA ILE A 95 14.799 -4.768 -3.623 1.00 0.00 C ATOM 993 C ILE A 95 16.018 -5.684 -3.566 1.00 0.00 C ATOM 994 O ILE A 95 17.165 -5.226 -3.548 1.00 0.00 O ATOM 995 CB ILE A 95 14.031 -4.892 -2.283 1.00 0.00 C ATOM 996 CG1 ILE A 95 12.864 -3.912 -2.234 1.00 0.00 C ATOM 997 CG2 ILE A 95 14.968 -4.628 -1.115 1.00 0.00 C ATOM 998 CD1 ILE A 95 13.303 -2.486 -2.027 1.00 0.00 C ATOM 0 H ILE A 95 12.978 -5.270 -4.544 1.00 0.00 H new ATOM 0 HA ILE A 95 15.102 -3.729 -3.756 1.00 0.00 H new ATOM 0 HB ILE A 95 13.639 -5.906 -2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 95 12.299 -3.981 -3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.189 -4.199 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 95 14.417 -4.718 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.781 -5.354 -1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.379 -3.622 -1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.428 -1.836 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 95 13.844 -2.405 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.955 -2.184 -2.846 1.00 0.00 H new ATOM 1010 N ASN A 96 15.762 -6.986 -3.578 1.00 0.00 N ATOM 1011 CA ASN A 96 16.832 -7.968 -3.444 1.00 0.00 C ATOM 1012 C ASN A 96 17.514 -8.226 -4.787 1.00 0.00 C ATOM 1013 O ASN A 96 18.614 -8.775 -4.836 1.00 0.00 O ATOM 1014 CB ASN A 96 16.279 -9.275 -2.861 1.00 0.00 C ATOM 1015 CG ASN A 96 17.302 -10.065 -2.057 1.00 0.00 C ATOM 1016 OD1 ASN A 96 16.948 -10.756 -1.101 1.00 0.00 O ATOM 1017 ND2 ASN A 96 18.569 -9.982 -2.429 1.00 0.00 N ATOM 0 H ASN A 96 14.829 -7.385 -3.678 1.00 0.00 H new ATOM 0 HA ASN A 96 17.581 -7.566 -2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 96 15.426 -9.046 -2.222 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.909 -9.898 -3.675 1.00 0.00 H new ATOM 0 HD21 ASN A 96 19.285 -10.499 -1.919 1.00 0.00 H new ATOM 0 HD22 ASN A 96 18.830 -9.401 -3.226 1.00 0.00 H new ATOM 1024 N ALA A 97 16.871 -7.821 -5.870 1.00 0.00 N ATOM 1025 CA ALA A 97 17.442 -7.985 -7.202 1.00 0.00 C ATOM 1026 C ALA A 97 18.677 -7.120 -7.366 1.00 0.00 C ATOM 1027 O ALA A 97 19.695 -7.560 -7.901 1.00 0.00 O ATOM 1028 CB ALA A 97 16.428 -7.625 -8.271 1.00 0.00 C ATOM 0 H ALA A 97 15.953 -7.376 -5.856 1.00 0.00 H new ATOM 0 HA ALA A 97 17.722 -9.032 -7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 97 16.876 -7.755 -9.256 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.557 -8.274 -8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 97 16.121 -6.587 -8.146 1.00 0.00 H new ATOM 1034 N ARG A 98 18.585 -5.891 -6.887 1.00 0.00 N ATOM 1035 CA ARG A 98 19.663 -4.935 -7.065 1.00 0.00 C ATOM 1036 C ARG A 98 20.602 -4.948 -5.871 1.00 0.00 C ATOM 1037 O ARG A 98 21.818 -4.858 -6.026 1.00 0.00 O ATOM 1038 CB ARG A 98 19.113 -3.524 -7.297 1.00 0.00 C ATOM 1039 CG ARG A 98 18.106 -3.064 -6.253 1.00 0.00 C ATOM 1040 CD ARG A 98 17.649 -1.642 -6.517 1.00 0.00 C ATOM 1041 NE ARG A 98 17.117 -1.472 -7.869 1.00 0.00 N ATOM 1042 CZ ARG A 98 17.213 -0.342 -8.567 1.00 0.00 C ATOM 1043 NH1 ARG A 98 17.908 0.681 -8.084 1.00 0.00 N ATOM 1044 NH2 ARG A 98 16.646 -0.251 -9.765 1.00 0.00 N ATOM 0 H ARG A 98 17.779 -5.534 -6.374 1.00 0.00 H new ATOM 0 HA ARG A 98 20.227 -5.231 -7.949 1.00 0.00 H new ATOM 0 HB2 ARG A 98 19.946 -2.821 -7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 98 18.642 -3.487 -8.279 1.00 0.00 H new ATOM 0 HG2 ARG A 98 17.244 -3.732 -6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.553 -3.126 -5.261 1.00 0.00 H new ATOM 0 HD2 ARG A 98 16.884 -1.368 -5.791 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.487 -0.960 -6.370 1.00 0.00 H new ATOM 0 HE ARG A 98 16.645 -2.265 -8.302 1.00 0.00 H new ATOM 0 HH11 ARG A 98 18.369 0.602 -7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 98 17.981 1.546 -8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 98 16.137 -1.047 -10.150 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.720 0.615 -10.300 1.00 0.00 H new ATOM 1288 N GLY B 42 9.317 9.367 6.230 1.00 0.00 N ATOM 1289 CA GLY B 42 9.001 7.961 6.269 1.00 0.00 C ATOM 1290 C GLY B 42 10.229 7.089 6.421 1.00 0.00 C ATOM 1291 O GLY B 42 11.111 7.106 5.559 1.00 0.00 O ATOM 0 HA2 GLY B 42 8.320 7.769 7.098 1.00 0.00 H new ATOM 0 HA3 GLY B 42 8.476 7.686 5.354 1.00 0.00 H new ATOM 1295 N PRO B 43 10.333 6.342 7.533 1.00 0.00 N ATOM 1296 CA PRO B 43 11.356 5.305 7.698 1.00 0.00 C ATOM 1297 C PRO B 43 11.151 4.177 6.690 1.00 0.00 C ATOM 1298 O PRO B 43 10.195 4.214 5.918 1.00 0.00 O ATOM 1299 CB PRO B 43 11.140 4.798 9.129 1.00 0.00 C ATOM 1300 CG PRO B 43 10.339 5.859 9.801 1.00 0.00 C ATOM 1301 CD PRO B 43 9.487 6.467 8.727 1.00 0.00 C ATOM 0 HA PRO B 43 12.366 5.681 7.532 1.00 0.00 H new ATOM 0 HB2 PRO B 43 10.613 3.844 9.134 1.00 0.00 H new ATOM 0 HB3 PRO B 43 12.090 4.640 9.639 1.00 0.00 H new ATOM 0 HG2 PRO B 43 9.724 5.440 10.598 1.00 0.00 H new ATOM 0 HG3 PRO B 43 10.986 6.608 10.258 1.00 0.00 H new ATOM 0 HD2 PRO B 43 8.542 5.936 8.611 1.00 0.00 H new ATOM 0 HD3 PRO B 43 9.244 7.507 8.944 1.00 0.00 H new ATOM 1309 N ILE B 44 12.018 3.170 6.709 1.00 0.00 N ATOM 1310 CA ILE B 44 12.005 2.126 5.680 1.00 0.00 C ATOM 1311 C ILE B 44 10.619 1.487 5.507 1.00 0.00 C ATOM 1312 O ILE B 44 10.184 1.231 4.378 1.00 0.00 O ATOM 1313 CB ILE B 44 13.060 1.030 5.958 1.00 0.00 C ATOM 1314 CG1 ILE B 44 12.846 0.388 7.330 1.00 0.00 C ATOM 1315 CG2 ILE B 44 14.461 1.618 5.858 1.00 0.00 C ATOM 1316 CD1 ILE B 44 13.805 -0.745 7.623 1.00 0.00 C ATOM 0 H ILE B 44 12.738 3.051 7.422 1.00 0.00 H new ATOM 0 HA ILE B 44 12.261 2.627 4.746 1.00 0.00 H new ATOM 0 HB ILE B 44 12.947 0.250 5.205 1.00 0.00 H new ATOM 0 HG12 ILE B 44 12.953 1.152 8.100 1.00 0.00 H new ATOM 0 HG13 ILE B 44 11.824 0.014 7.392 1.00 0.00 H new ATOM 0 HG21 ILE B 44 15.197 0.839 6.055 1.00 0.00 H new ATOM 0 HG22 ILE B 44 14.617 2.019 4.857 1.00 0.00 H new ATOM 0 HG23 ILE B 44 14.573 2.417 6.591 1.00 0.00 H new ATOM 0 HD11 ILE B 44 13.595 -1.153 8.612 1.00 0.00 H new ATOM 0 HD12 ILE B 44 13.683 -1.528 6.874 1.00 0.00 H new ATOM 0 HD13 ILE B 44 14.829 -0.372 7.594 1.00 0.00 H new ATOM 1328 N ARG B 45 9.916 1.263 6.616 1.00 0.00 N ATOM 1329 CA ARG B 45 8.566 0.704 6.563 1.00 0.00 C ATOM 1330 C ARG B 45 7.634 1.623 5.781 1.00 0.00 C ATOM 1331 O ARG B 45 6.907 1.184 4.887 1.00 0.00 O ATOM 1332 CB ARG B 45 8.009 0.489 7.972 1.00 0.00 C ATOM 1333 CG ARG B 45 8.746 -0.569 8.776 1.00 0.00 C ATOM 1334 CD ARG B 45 8.133 -0.732 10.156 1.00 0.00 C ATOM 1335 NE ARG B 45 8.825 -1.739 10.957 1.00 0.00 N ATOM 1336 CZ ARG B 45 8.333 -2.262 12.078 1.00 0.00 C ATOM 1337 NH1 ARG B 45 7.134 -1.897 12.516 1.00 0.00 N ATOM 1338 NH2 ARG B 45 9.036 -3.158 12.758 1.00 0.00 N ATOM 0 H ARG B 45 10.256 1.459 7.557 1.00 0.00 H new ATOM 0 HA ARG B 45 8.625 -0.259 6.056 1.00 0.00 H new ATOM 0 HB2 ARG B 45 8.047 1.434 8.514 1.00 0.00 H new ATOM 0 HB3 ARG B 45 6.959 0.207 7.897 1.00 0.00 H new ATOM 0 HG2 ARG B 45 8.714 -1.521 8.246 1.00 0.00 H new ATOM 0 HG3 ARG B 45 9.796 -0.292 8.871 1.00 0.00 H new ATOM 0 HD2 ARG B 45 8.160 0.225 10.678 1.00 0.00 H new ATOM 0 HD3 ARG B 45 7.084 -1.010 10.054 1.00 0.00 H new ATOM 0 HE ARG B 45 9.739 -2.060 10.638 1.00 0.00 H new ATOM 0 HH11 ARG B 45 6.586 -1.214 11.993 1.00 0.00 H new ATOM 0 HH12 ARG B 45 6.761 -2.300 13.375 1.00 0.00 H new ATOM 0 HH21 ARG B 45 9.955 -3.447 12.422 1.00 0.00 H new ATOM 0 HH22 ARG B 45 8.658 -3.558 13.617 1.00 0.00 H new ATOM 1352 N MET B 46 7.675 2.906 6.113 1.00 0.00 N ATOM 1353 CA MET B 46 6.826 3.891 5.462 1.00 0.00 C ATOM 1354 C MET B 46 7.259 4.114 4.025 1.00 0.00 C ATOM 1355 O MET B 46 6.445 4.470 3.186 1.00 0.00 O ATOM 1356 CB MET B 46 6.836 5.220 6.217 1.00 0.00 C ATOM 1357 CG MET B 46 6.117 5.178 7.555 1.00 0.00 C ATOM 1358 SD MET B 46 6.955 4.152 8.778 1.00 0.00 S ATOM 1359 CE MET B 46 5.894 4.423 10.191 1.00 0.00 C ATOM 0 H MET B 46 8.289 3.289 6.832 1.00 0.00 H new ATOM 0 HA MET B 46 5.810 3.497 5.468 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.870 5.525 6.381 1.00 0.00 H new ATOM 0 HB3 MET B 46 6.374 5.984 5.592 1.00 0.00 H new ATOM 0 HG2 MET B 46 6.025 6.192 7.943 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.105 4.801 7.405 1.00 0.00 H new ATOM 0 HE1 MET B 46 6.400 4.086 11.096 1.00 0.00 H new ATOM 0 HE2 MET B 46 5.667 5.486 10.277 1.00 0.00 H new ATOM 0 HE3 MET B 46 4.968 3.863 10.063 1.00 0.00 H new ATOM 1369 N VAL B 47 8.539 3.907 3.744 1.00 0.00 N ATOM 1370 CA VAL B 47 9.040 4.013 2.381 1.00 0.00 C ATOM 1371 C VAL B 47 8.304 3.040 1.475 1.00 0.00 C ATOM 1372 O VAL B 47 7.845 3.413 0.399 1.00 0.00 O ATOM 1373 CB VAL B 47 10.559 3.748 2.296 1.00 0.00 C ATOM 1374 CG1 VAL B 47 11.031 3.754 0.850 1.00 0.00 C ATOM 1375 CG2 VAL B 47 11.321 4.784 3.100 1.00 0.00 C ATOM 0 H VAL B 47 9.246 3.666 4.439 1.00 0.00 H new ATOM 0 HA VAL B 47 8.860 5.036 2.051 1.00 0.00 H new ATOM 0 HB VAL B 47 10.755 2.761 2.716 1.00 0.00 H new ATOM 0 HG11 VAL B 47 12.104 3.565 0.817 1.00 0.00 H new ATOM 0 HG12 VAL B 47 10.508 2.976 0.293 1.00 0.00 H new ATOM 0 HG13 VAL B 47 10.819 4.725 0.402 1.00 0.00 H new ATOM 0 HG21 VAL B 47 12.390 4.584 3.031 1.00 0.00 H new ATOM 0 HG22 VAL B 47 11.111 5.778 2.705 1.00 0.00 H new ATOM 0 HG23 VAL B 47 11.010 4.736 4.144 1.00 0.00 H new ATOM 1385 N LEU B 48 8.167 1.800 1.931 1.00 0.00 N ATOM 1386 CA LEU B 48 7.440 0.788 1.170 1.00 0.00 C ATOM 1387 C LEU B 48 5.946 1.110 1.117 1.00 0.00 C ATOM 1388 O LEU B 48 5.271 0.806 0.131 1.00 0.00 O ATOM 1389 CB LEU B 48 7.671 -0.611 1.757 1.00 0.00 C ATOM 1390 CG LEU B 48 8.938 -1.328 1.265 1.00 0.00 C ATOM 1391 CD1 LEU B 48 10.189 -0.534 1.603 1.00 0.00 C ATOM 1392 CD2 LEU B 48 9.025 -2.721 1.863 1.00 0.00 C ATOM 0 H LEU B 48 8.547 1.471 2.819 1.00 0.00 H new ATOM 0 HA LEU B 48 7.825 0.797 0.150 1.00 0.00 H new ATOM 0 HB2 LEU B 48 7.719 -0.528 2.843 1.00 0.00 H new ATOM 0 HB3 LEU B 48 6.807 -1.233 1.522 1.00 0.00 H new ATOM 0 HG LEU B 48 8.873 -1.411 0.180 1.00 0.00 H new ATOM 0 HD11 LEU B 48 11.068 -1.068 1.242 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.138 0.445 1.127 1.00 0.00 H new ATOM 0 HD13 LEU B 48 10.260 -0.409 2.683 1.00 0.00 H new ATOM 0 HD21 LEU B 48 9.928 -3.215 1.504 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.058 -2.649 2.950 1.00 0.00 H new ATOM 0 HD23 LEU B 48 8.151 -3.300 1.564 1.00 0.00 H new ATOM 1404 N ALA B 49 5.437 1.737 2.173 1.00 0.00 N ATOM 1405 CA ALA B 49 4.044 2.176 2.207 1.00 0.00 C ATOM 1406 C ALA B 49 3.794 3.282 1.185 1.00 0.00 C ATOM 1407 O ALA B 49 2.858 3.208 0.387 1.00 0.00 O ATOM 1408 CB ALA B 49 3.673 2.651 3.602 1.00 0.00 C ATOM 0 H ALA B 49 5.967 1.953 3.017 1.00 0.00 H new ATOM 0 HA ALA B 49 3.414 1.325 1.947 1.00 0.00 H new ATOM 0 HB1 ALA B 49 2.632 2.975 3.611 1.00 0.00 H new ATOM 0 HB2 ALA B 49 3.805 1.834 4.312 1.00 0.00 H new ATOM 0 HB3 ALA B 49 4.315 3.485 3.885 1.00 0.00 H new ATOM 1414 N ILE B 50 4.646 4.301 1.210 1.00 0.00 N ATOM 1415 CA ILE B 50 4.552 5.409 0.270 1.00 0.00 C ATOM 1416 C ILE B 50 4.864 4.917 -1.142 1.00 0.00 C ATOM 1417 O ILE B 50 4.350 5.444 -2.130 1.00 0.00 O ATOM 1418 CB ILE B 50 5.518 6.557 0.652 1.00 0.00 C ATOM 1419 CG1 ILE B 50 5.278 6.999 2.103 1.00 0.00 C ATOM 1420 CG2 ILE B 50 5.351 7.737 -0.299 1.00 0.00 C ATOM 1421 CD1 ILE B 50 6.216 8.092 2.573 1.00 0.00 C ATOM 0 H ILE B 50 5.414 4.381 1.876 1.00 0.00 H new ATOM 0 HA ILE B 50 3.535 5.798 0.307 1.00 0.00 H new ATOM 0 HB ILE B 50 6.540 6.189 0.567 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.250 7.348 2.201 1.00 0.00 H new ATOM 0 HG13 ILE B 50 5.385 6.135 2.759 1.00 0.00 H new ATOM 0 HG21 ILE B 50 6.038 8.534 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE B 50 5.569 7.417 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.326 8.105 -0.246 1.00 0.00 H new ATOM 0 HD11 ILE B 50 5.985 8.350 3.606 1.00 0.00 H new ATOM 0 HD12 ILE B 50 7.246 7.740 2.509 1.00 0.00 H new ATOM 0 HD13 ILE B 50 6.093 8.973 1.943 1.00 0.00 H new ATOM 1433 N LEU B 51 5.707 3.894 -1.220 1.00 0.00 N ATOM 1434 CA LEU B 51 6.022 3.242 -2.480 1.00 0.00 C ATOM 1435 C LEU B 51 4.751 2.705 -3.123 1.00 0.00 C ATOM 1436 O LEU B 51 4.425 3.063 -4.251 1.00 0.00 O ATOM 1437 CB LEU B 51 7.003 2.092 -2.254 1.00 0.00 C ATOM 1438 CG LEU B 51 7.495 1.392 -3.518 1.00 0.00 C ATOM 1439 CD1 LEU B 51 8.560 2.227 -4.214 1.00 0.00 C ATOM 1440 CD2 LEU B 51 8.018 0.006 -3.181 1.00 0.00 C ATOM 0 H LEU B 51 6.188 3.496 -0.413 1.00 0.00 H new ATOM 0 HA LEU B 51 6.480 3.976 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.867 2.476 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU B 51 6.527 1.352 -1.611 1.00 0.00 H new ATOM 0 HG LEU B 51 6.657 1.282 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.898 1.711 -5.113 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.142 3.196 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU B 51 9.405 2.374 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU B 51 8.366 -0.483 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU B 51 8.845 0.091 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU B 51 7.219 -0.586 -2.734 1.00 0.00 H new ATOM 1452 N ALA B 52 4.030 1.858 -2.384 1.00 0.00 N ATOM 1453 CA ALA B 52 2.785 1.269 -2.873 1.00 0.00 C ATOM 1454 C ALA B 52 1.797 2.351 -3.275 1.00 0.00 C ATOM 1455 O ALA B 52 1.090 2.222 -4.277 1.00 0.00 O ATOM 1456 CB ALA B 52 2.166 0.369 -1.821 1.00 0.00 C ATOM 0 H ALA B 52 4.290 1.565 -1.442 1.00 0.00 H new ATOM 0 HA ALA B 52 3.023 0.669 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA B 52 1.240 -0.058 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA B 52 2.861 -0.434 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA B 52 1.951 0.951 -0.925 1.00 0.00 H new ATOM 1462 N PHE B 53 1.756 3.417 -2.486 1.00 0.00 N ATOM 1463 CA PHE B 53 0.963 4.589 -2.816 1.00 0.00 C ATOM 1464 C PHE B 53 1.311 5.066 -4.224 1.00 0.00 C ATOM 1465 O PHE B 53 0.463 5.093 -5.107 1.00 0.00 O ATOM 1466 CB PHE B 53 1.225 5.694 -1.783 1.00 0.00 C ATOM 1467 CG PHE B 53 0.515 6.995 -2.051 1.00 0.00 C ATOM 1468 CD1 PHE B 53 1.181 8.049 -2.655 1.00 0.00 C ATOM 1469 CD2 PHE B 53 -0.810 7.168 -1.685 1.00 0.00 C ATOM 1470 CE1 PHE B 53 0.540 9.250 -2.891 1.00 0.00 C ATOM 1471 CE2 PHE B 53 -1.457 8.367 -1.920 1.00 0.00 C ATOM 1472 CZ PHE B 53 -0.780 9.409 -2.523 1.00 0.00 C ATOM 0 H PHE B 53 2.268 3.492 -1.607 1.00 0.00 H new ATOM 0 HA PHE B 53 -0.097 4.336 -2.791 1.00 0.00 H new ATOM 0 HB2 PHE B 53 0.927 5.330 -0.800 1.00 0.00 H new ATOM 0 HB3 PHE B 53 2.297 5.884 -1.740 1.00 0.00 H new ATOM 0 HD1 PHE B 53 2.215 7.930 -2.945 1.00 0.00 H new ATOM 0 HD2 PHE B 53 -1.343 6.357 -1.211 1.00 0.00 H new ATOM 0 HE1 PHE B 53 1.072 10.063 -3.363 1.00 0.00 H new ATOM 0 HE2 PHE B 53 -2.491 8.489 -1.632 1.00 0.00 H new ATOM 0 HZ PHE B 53 -1.283 10.347 -2.706 1.00 0.00 H new ATOM 1482 N LEU B 54 2.577 5.381 -4.439 1.00 0.00 N ATOM 1483 CA LEU B 54 3.052 5.888 -5.727 1.00 0.00 C ATOM 1484 C LEU B 54 3.042 4.805 -6.814 1.00 0.00 C ATOM 1485 O LEU B 54 3.306 5.086 -7.984 1.00 0.00 O ATOM 1486 CB LEU B 54 4.464 6.455 -5.571 1.00 0.00 C ATOM 1487 CG LEU B 54 4.590 7.620 -4.587 1.00 0.00 C ATOM 1488 CD1 LEU B 54 6.050 7.978 -4.371 1.00 0.00 C ATOM 1489 CD2 LEU B 54 3.818 8.831 -5.092 1.00 0.00 C ATOM 0 H LEU B 54 3.307 5.295 -3.732 1.00 0.00 H new ATOM 0 HA LEU B 54 2.368 6.675 -6.043 1.00 0.00 H new ATOM 0 HB2 LEU B 54 5.127 5.653 -5.247 1.00 0.00 H new ATOM 0 HB3 LEU B 54 4.816 6.785 -6.548 1.00 0.00 H new ATOM 0 HG LEU B 54 4.164 7.311 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU B 54 6.121 8.808 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU B 54 6.580 7.115 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU B 54 6.498 8.268 -5.321 1.00 0.00 H new ATOM 0 HD21 LEU B 54 3.919 9.650 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU B 54 4.217 9.140 -6.058 1.00 0.00 H new ATOM 0 HD23 LEU B 54 2.765 8.572 -5.200 1.00 0.00 H new ATOM 1501 N ARG B 55 2.750 3.571 -6.425 1.00 0.00 N ATOM 1502 CA ARG B 55 2.663 2.466 -7.375 1.00 0.00 C ATOM 1503 C ARG B 55 1.267 2.346 -7.954 1.00 0.00 C ATOM 1504 O ARG B 55 1.094 1.980 -9.117 1.00 0.00 O ATOM 1505 CB ARG B 55 3.035 1.148 -6.703 1.00 0.00 C ATOM 1506 CG ARG B 55 4.510 1.018 -6.401 1.00 0.00 C ATOM 1507 CD ARG B 55 5.323 0.872 -7.675 1.00 0.00 C ATOM 1508 NE ARG B 55 4.879 -0.268 -8.479 1.00 0.00 N ATOM 1509 CZ ARG B 55 5.028 -0.355 -9.800 1.00 0.00 C ATOM 1510 NH1 ARG B 55 5.575 0.647 -10.481 1.00 0.00 N ATOM 1511 NH2 ARG B 55 4.616 -1.439 -10.442 1.00 0.00 N ATOM 0 H ARG B 55 2.569 3.308 -5.456 1.00 0.00 H new ATOM 0 HA ARG B 55 3.365 2.678 -8.182 1.00 0.00 H new ATOM 0 HB2 ARG B 55 2.473 1.052 -5.774 1.00 0.00 H new ATOM 0 HB3 ARG B 55 2.730 0.323 -7.347 1.00 0.00 H new ATOM 0 HG2 ARG B 55 4.849 1.895 -5.849 1.00 0.00 H new ATOM 0 HG3 ARG B 55 4.677 0.153 -5.759 1.00 0.00 H new ATOM 0 HD2 ARG B 55 5.241 1.785 -8.264 1.00 0.00 H new ATOM 0 HD3 ARG B 55 6.376 0.749 -7.422 1.00 0.00 H new ATOM 0 HE ARG B 55 4.427 -1.045 -7.997 1.00 0.00 H new ATOM 0 HH11 ARG B 55 5.883 1.488 -9.992 1.00 0.00 H new ATOM 0 HH12 ARG B 55 5.687 0.575 -11.492 1.00 0.00 H new ATOM 0 HH21 ARG B 55 4.185 -2.205 -9.925 1.00 0.00 H new ATOM 0 HH22 ARG B 55 4.730 -1.507 -11.453 1.00 0.00 H new ATOM 1525 N PHE B 56 0.271 2.629 -7.136 1.00 0.00 N ATOM 1526 CA PHE B 56 -1.110 2.469 -7.551 1.00 0.00 C ATOM 1527 C PHE B 56 -1.812 3.809 -7.720 1.00 0.00 C ATOM 1528 O PHE B 56 -2.902 3.873 -8.286 1.00 0.00 O ATOM 1529 CB PHE B 56 -1.860 1.582 -6.556 1.00 0.00 C ATOM 1530 CG PHE B 56 -1.503 0.128 -6.674 1.00 0.00 C ATOM 1531 CD1 PHE B 56 -0.401 -0.389 -6.010 1.00 0.00 C ATOM 1532 CD2 PHE B 56 -2.266 -0.722 -7.459 1.00 0.00 C ATOM 1533 CE1 PHE B 56 -0.069 -1.725 -6.127 1.00 0.00 C ATOM 1534 CE2 PHE B 56 -1.940 -2.058 -7.579 1.00 0.00 C ATOM 1535 CZ PHE B 56 -0.840 -2.560 -6.913 1.00 0.00 C ATOM 0 H PHE B 56 0.392 2.970 -6.182 1.00 0.00 H new ATOM 0 HA PHE B 56 -1.110 1.984 -8.527 1.00 0.00 H new ATOM 0 HB2 PHE B 56 -1.645 1.921 -5.543 1.00 0.00 H new ATOM 0 HB3 PHE B 56 -2.933 1.700 -6.711 1.00 0.00 H new ATOM 0 HD1 PHE B 56 0.205 0.260 -5.395 1.00 0.00 H new ATOM 0 HD2 PHE B 56 -3.127 -0.334 -7.984 1.00 0.00 H new ATOM 0 HE1 PHE B 56 0.792 -2.116 -5.605 1.00 0.00 H new ATOM 0 HE2 PHE B 56 -2.544 -2.709 -8.193 1.00 0.00 H new ATOM 0 HZ PHE B 56 -0.582 -3.605 -7.006 1.00 0.00 H new ATOM 1545 N THR B 57 -1.193 4.880 -7.239 1.00 0.00 N ATOM 1546 CA THR B 57 -1.775 6.212 -7.401 1.00 0.00 C ATOM 1547 C THR B 57 -0.981 7.029 -8.416 1.00 0.00 C ATOM 1548 O THR B 57 -1.262 8.209 -8.642 1.00 0.00 O ATOM 1549 CB THR B 57 -1.842 6.992 -6.066 1.00 0.00 C ATOM 1550 OG1 THR B 57 -0.532 7.413 -5.668 1.00 0.00 O ATOM 1551 CG2 THR B 57 -2.450 6.136 -4.963 1.00 0.00 C ATOM 0 H THR B 57 -0.303 4.858 -6.741 1.00 0.00 H new ATOM 0 HA THR B 57 -2.793 6.062 -7.760 1.00 0.00 H new ATOM 0 HB THR B 57 -2.474 7.866 -6.224 1.00 0.00 H new ATOM 0 HG1 THR B 57 0.086 6.654 -5.720 1.00 0.00 H new ATOM 0 HG21 THR B 57 -2.485 6.708 -4.036 1.00 0.00 H new ATOM 0 HG22 THR B 57 -3.461 5.841 -5.246 1.00 0.00 H new ATOM 0 HG23 THR B 57 -1.840 5.245 -4.816 1.00 0.00 H new ATOM 1559 N ALA B 58 0.008 6.391 -9.031 1.00 0.00 N ATOM 1560 CA ALA B 58 0.883 7.058 -9.983 1.00 0.00 C ATOM 1561 C ALA B 58 1.656 6.035 -10.801 1.00 0.00 C ATOM 1562 O ALA B 58 1.684 4.851 -10.461 1.00 0.00 O ATOM 1563 CB ALA B 58 1.852 7.983 -9.258 1.00 0.00 C ATOM 0 H ALA B 58 0.224 5.405 -8.884 1.00 0.00 H new ATOM 0 HA ALA B 58 0.266 7.653 -10.656 1.00 0.00 H new ATOM 0 HB1 ALA B 58 2.499 8.474 -9.985 1.00 0.00 H new ATOM 0 HB2 ALA B 58 1.291 8.736 -8.705 1.00 0.00 H new ATOM 0 HB3 ALA B 58 2.460 7.402 -8.565 1.00 0.00 H new ATOM 1569 N ILE B 59 2.273 6.489 -11.881 1.00 0.00 N ATOM 1570 CA ILE B 59 3.117 5.629 -12.695 1.00 0.00 C ATOM 1571 C ILE B 59 4.549 6.159 -12.677 1.00 0.00 C ATOM 1572 O ILE B 59 5.184 6.356 -13.717 1.00 0.00 O ATOM 1573 CB ILE B 59 2.625 5.526 -14.154 1.00 0.00 C ATOM 1574 CG1 ILE B 59 1.109 5.287 -14.217 1.00 0.00 C ATOM 1575 CG2 ILE B 59 3.365 4.397 -14.852 1.00 0.00 C ATOM 1576 CD1 ILE B 59 0.662 3.971 -13.614 1.00 0.00 C ATOM 0 H ILE B 59 2.205 7.451 -12.214 1.00 0.00 H new ATOM 0 HA ILE B 59 3.073 4.628 -12.266 1.00 0.00 H new ATOM 0 HB ILE B 59 2.831 6.470 -14.659 1.00 0.00 H new ATOM 0 HG12 ILE B 59 0.602 6.102 -13.699 1.00 0.00 H new ATOM 0 HG13 ILE B 59 0.790 5.324 -15.259 1.00 0.00 H new ATOM 0 HG21 ILE B 59 3.021 4.320 -15.883 1.00 0.00 H new ATOM 0 HG22 ILE B 59 4.436 4.602 -14.841 1.00 0.00 H new ATOM 0 HG23 ILE B 59 3.170 3.459 -14.333 1.00 0.00 H new ATOM 0 HD11 ILE B 59 -0.421 3.881 -13.699 1.00 0.00 H new ATOM 0 HD12 ILE B 59 1.138 3.147 -14.146 1.00 0.00 H new ATOM 0 HD13 ILE B 59 0.947 3.937 -12.563 1.00 0.00 H new ATOM 1588 N LYS B 60 5.034 6.393 -11.471 1.00 0.00 N ATOM 1589 CA LYS B 60 6.369 6.939 -11.241 1.00 0.00 C ATOM 1590 C LYS B 60 6.580 7.216 -9.756 1.00 0.00 C ATOM 1591 O LYS B 60 6.024 8.171 -9.212 1.00 0.00 O ATOM 1592 CB LYS B 60 6.585 8.242 -12.022 1.00 0.00 C ATOM 1593 CG LYS B 60 7.986 8.820 -11.870 1.00 0.00 C ATOM 1594 CD LYS B 60 9.036 7.886 -12.448 1.00 0.00 C ATOM 1595 CE LYS B 60 10.440 8.443 -12.281 1.00 0.00 C ATOM 1596 NZ LYS B 60 11.453 7.576 -12.938 1.00 0.00 N ATOM 0 H LYS B 60 4.512 6.210 -10.614 1.00 0.00 H new ATOM 0 HA LYS B 60 7.087 6.196 -11.588 1.00 0.00 H new ATOM 0 HB2 LYS B 60 6.389 8.059 -13.079 1.00 0.00 H new ATOM 0 HB3 LYS B 60 5.858 8.981 -11.687 1.00 0.00 H new ATOM 0 HG2 LYS B 60 8.039 9.786 -12.373 1.00 0.00 H new ATOM 0 HG3 LYS B 60 8.196 8.998 -10.815 1.00 0.00 H new ATOM 0 HD2 LYS B 60 8.969 6.915 -11.957 1.00 0.00 H new ATOM 0 HD3 LYS B 60 8.834 7.722 -13.506 1.00 0.00 H new ATOM 0 HE2 LYS B 60 10.487 9.446 -12.706 1.00 0.00 H new ATOM 0 HE3 LYS B 60 10.672 8.535 -11.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 12.400 7.986 -12.805 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 11.424 6.626 -12.515 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 11.245 7.509 -13.955 1.00 0.00 H new ATOM 1610 N PRO B 61 7.364 6.376 -9.073 1.00 0.00 N ATOM 1611 CA PRO B 61 7.747 6.615 -7.687 1.00 0.00 C ATOM 1612 C PRO B 61 8.856 7.662 -7.591 1.00 0.00 C ATOM 1613 O PRO B 61 9.832 7.617 -8.347 1.00 0.00 O ATOM 1614 CB PRO B 61 8.250 5.248 -7.198 1.00 0.00 C ATOM 1615 CG PRO B 61 8.024 4.292 -8.329 1.00 0.00 C ATOM 1616 CD PRO B 61 7.926 5.122 -9.576 1.00 0.00 C ATOM 0 HA PRO B 61 6.920 7.001 -7.091 1.00 0.00 H new ATOM 0 HB2 PRO B 61 9.306 5.294 -6.932 1.00 0.00 H new ATOM 0 HB3 PRO B 61 7.710 4.931 -6.306 1.00 0.00 H new ATOM 0 HG2 PRO B 61 8.844 3.577 -8.402 1.00 0.00 H new ATOM 0 HG3 PRO B 61 7.112 3.716 -8.174 1.00 0.00 H new ATOM 0 HD2 PRO B 61 8.900 5.271 -10.043 1.00 0.00 H new ATOM 0 HD3 PRO B 61 7.282 4.659 -10.323 1.00 0.00 H new ATOM 1624 N SER B 62 8.689 8.604 -6.671 1.00 0.00 N ATOM 1625 CA SER B 62 9.642 9.689 -6.476 1.00 0.00 C ATOM 1626 C SER B 62 11.031 9.144 -6.135 1.00 0.00 C ATOM 1627 O SER B 62 11.169 8.209 -5.343 1.00 0.00 O ATOM 1628 CB SER B 62 9.142 10.593 -5.352 1.00 0.00 C ATOM 1629 OG SER B 62 7.764 10.897 -5.516 1.00 0.00 O ATOM 0 H SER B 62 7.889 8.637 -6.039 1.00 0.00 H new ATOM 0 HA SER B 62 9.725 10.259 -7.401 1.00 0.00 H new ATOM 0 HB2 SER B 62 9.298 10.103 -4.391 1.00 0.00 H new ATOM 0 HB3 SER B 62 9.722 11.516 -5.338 1.00 0.00 H new ATOM 0 HG SER B 62 7.467 11.476 -4.783 1.00 0.00 H new ATOM 1635 N LEU B 63 12.052 9.751 -6.738 1.00 0.00 N ATOM 1636 CA LEU B 63 13.430 9.275 -6.629 1.00 0.00 C ATOM 1637 C LEU B 63 13.945 9.315 -5.194 1.00 0.00 C ATOM 1638 O LEU B 63 14.845 8.556 -4.836 1.00 0.00 O ATOM 1639 CB LEU B 63 14.349 10.097 -7.534 1.00 0.00 C ATOM 1640 CG LEU B 63 14.044 10.005 -9.032 1.00 0.00 C ATOM 1641 CD1 LEU B 63 14.993 10.891 -9.823 1.00 0.00 C ATOM 1642 CD2 LEU B 63 14.135 8.563 -9.509 1.00 0.00 C ATOM 0 H LEU B 63 11.948 10.586 -7.315 1.00 0.00 H new ATOM 0 HA LEU B 63 13.435 8.234 -6.951 1.00 0.00 H new ATOM 0 HB2 LEU B 63 14.290 11.142 -7.231 1.00 0.00 H new ATOM 0 HB3 LEU B 63 15.377 9.775 -7.369 1.00 0.00 H new ATOM 0 HG LEU B 63 13.026 10.356 -9.198 1.00 0.00 H new ATOM 0 HD11 LEU B 63 14.762 10.814 -10.886 1.00 0.00 H new ATOM 0 HD12 LEU B 63 14.878 11.926 -9.501 1.00 0.00 H new ATOM 0 HD13 LEU B 63 16.020 10.569 -9.650 1.00 0.00 H new ATOM 0 HD21 LEU B 63 13.915 8.518 -10.576 1.00 0.00 H new ATOM 0 HD22 LEU B 63 15.141 8.183 -9.330 1.00 0.00 H new ATOM 0 HD23 LEU B 63 13.414 7.953 -8.964 1.00 0.00 H new ATOM 1654 N GLY B 64 13.390 10.205 -4.379 1.00 0.00 N ATOM 1655 CA GLY B 64 13.746 10.234 -2.973 1.00 0.00 C ATOM 1656 C GLY B 64 13.329 8.957 -2.275 1.00 0.00 C ATOM 1657 O GLY B 64 14.115 8.340 -1.545 1.00 0.00 O ATOM 0 H GLY B 64 12.704 10.903 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY B 64 14.822 10.372 -2.871 1.00 0.00 H new ATOM 0 HA3 GLY B 64 13.268 11.087 -2.492 1.00 0.00 H new ATOM 1661 N LEU B 65 12.094 8.545 -2.527 1.00 0.00 N ATOM 1662 CA LEU B 65 11.578 7.305 -1.980 1.00 0.00 C ATOM 1663 C LEU B 65 12.351 6.122 -2.542 1.00 0.00 C ATOM 1664 O LEU B 65 12.665 5.196 -1.816 1.00 0.00 O ATOM 1665 CB LEU B 65 10.080 7.152 -2.274 1.00 0.00 C ATOM 1666 CG LEU B 65 9.130 7.931 -1.350 1.00 0.00 C ATOM 1667 CD1 LEU B 65 9.313 7.505 0.099 1.00 0.00 C ATOM 1668 CD2 LEU B 65 9.325 9.434 -1.493 1.00 0.00 C ATOM 0 H LEU B 65 11.431 9.056 -3.110 1.00 0.00 H new ATOM 0 HA LEU B 65 11.707 7.331 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU B 65 9.897 7.469 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU B 65 9.825 6.094 -2.216 1.00 0.00 H new ATOM 0 HG LEU B 65 8.110 7.695 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU B 65 8.630 8.070 0.733 1.00 0.00 H new ATOM 0 HD12 LEU B 65 9.100 6.440 0.195 1.00 0.00 H new ATOM 0 HD13 LEU B 65 10.340 7.699 0.408 1.00 0.00 H new ATOM 0 HD21 LEU B 65 8.638 9.955 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU B 65 10.351 9.694 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU B 65 9.126 9.730 -2.523 1.00 0.00 H new ATOM 1680 N ILE B 66 12.674 6.178 -3.832 1.00 0.00 N ATOM 1681 CA ILE B 66 13.454 5.123 -4.485 1.00 0.00 C ATOM 1682 C ILE B 66 14.820 4.962 -3.824 1.00 0.00 C ATOM 1683 O ILE B 66 15.280 3.845 -3.575 1.00 0.00 O ATOM 1684 CB ILE B 66 13.650 5.422 -5.989 1.00 0.00 C ATOM 1685 CG1 ILE B 66 12.301 5.416 -6.701 1.00 0.00 C ATOM 1686 CG2 ILE B 66 14.601 4.419 -6.633 1.00 0.00 C ATOM 1687 CD1 ILE B 66 11.620 4.061 -6.708 1.00 0.00 C ATOM 0 H ILE B 66 12.408 6.945 -4.450 1.00 0.00 H new ATOM 0 HA ILE B 66 12.892 4.195 -4.377 1.00 0.00 H new ATOM 0 HB ILE B 66 14.098 6.411 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE B 66 11.644 6.140 -6.220 1.00 0.00 H new ATOM 0 HG13 ILE B 66 12.442 5.747 -7.730 1.00 0.00 H new ATOM 0 HG21 ILE B 66 14.718 4.656 -7.690 1.00 0.00 H new ATOM 0 HG22 ILE B 66 15.572 4.470 -6.140 1.00 0.00 H new ATOM 0 HG23 ILE B 66 14.194 3.413 -6.530 1.00 0.00 H new ATOM 0 HD11 ILE B 66 10.667 4.136 -7.232 1.00 0.00 H new ATOM 0 HD12 ILE B 66 12.257 3.336 -7.215 1.00 0.00 H new ATOM 0 HD13 ILE B 66 11.446 3.736 -5.682 1.00 0.00 H new ATOM 1699 N ASN B 67 15.458 6.088 -3.540 1.00 0.00 N ATOM 1700 CA ASN B 67 16.761 6.094 -2.884 1.00 0.00 C ATOM 1701 C ASN B 67 16.702 5.372 -1.543 1.00 0.00 C ATOM 1702 O ASN B 67 17.587 4.581 -1.215 1.00 0.00 O ATOM 1703 CB ASN B 67 17.252 7.531 -2.686 1.00 0.00 C ATOM 1704 CG ASN B 67 18.541 7.613 -1.884 1.00 0.00 C ATOM 1705 OD1 ASN B 67 18.517 7.741 -0.659 1.00 0.00 O ATOM 1706 ND2 ASN B 67 19.674 7.548 -2.566 1.00 0.00 N ATOM 0 H ASN B 67 15.093 7.016 -3.755 1.00 0.00 H new ATOM 0 HA ASN B 67 17.464 5.564 -3.527 1.00 0.00 H new ATOM 0 HB2 ASN B 67 17.407 7.994 -3.661 1.00 0.00 H new ATOM 0 HB3 ASN B 67 16.478 8.107 -2.179 1.00 0.00 H new ATOM 0 HD21 ASN B 67 20.567 7.604 -2.077 1.00 0.00 H new ATOM 0 HD22 ASN B 67 19.653 7.442 -3.580 1.00 0.00 H new ATOM 1713 N ARG B 68 15.649 5.625 -0.777 1.00 0.00 N ATOM 1714 CA ARG B 68 15.520 5.015 0.542 1.00 0.00 C ATOM 1715 C ARG B 68 14.948 3.602 0.418 1.00 0.00 C ATOM 1716 O ARG B 68 15.162 2.754 1.278 1.00 0.00 O ATOM 1717 CB ARG B 68 14.643 5.883 1.442 1.00 0.00 C ATOM 1718 CG ARG B 68 14.887 5.665 2.927 1.00 0.00 C ATOM 1719 CD ARG B 68 14.161 6.711 3.757 1.00 0.00 C ATOM 1720 NE ARG B 68 14.499 8.066 3.327 1.00 0.00 N ATOM 1721 CZ ARG B 68 13.670 9.107 3.404 1.00 0.00 C ATOM 1722 NH1 ARG B 68 12.471 8.976 3.964 1.00 0.00 N ATOM 1723 NH2 ARG B 68 14.049 10.283 2.925 1.00 0.00 N ATOM 0 H ARG B 68 14.880 6.241 -1.041 1.00 0.00 H new ATOM 0 HA ARG B 68 16.508 4.943 0.997 1.00 0.00 H new ATOM 0 HB2 ARG B 68 14.819 6.932 1.204 1.00 0.00 H new ATOM 0 HB3 ARG B 68 13.596 5.678 1.221 1.00 0.00 H new ATOM 0 HG2 ARG B 68 14.548 4.669 3.213 1.00 0.00 H new ATOM 0 HG3 ARG B 68 15.956 5.709 3.134 1.00 0.00 H new ATOM 0 HD2 ARG B 68 13.085 6.560 3.674 1.00 0.00 H new ATOM 0 HD3 ARG B 68 14.420 6.587 4.808 1.00 0.00 H new ATOM 0 HE ARG B 68 15.430 8.226 2.943 1.00 0.00 H new ATOM 0 HH11 ARG B 68 12.179 8.073 4.339 1.00 0.00 H new ATOM 0 HH12 ARG B 68 11.843 9.778 4.019 1.00 0.00 H new ATOM 0 HH21 ARG B 68 14.970 10.388 2.500 1.00 0.00 H new ATOM 0 HH22 ARG B 68 13.419 11.083 2.981 1.00 0.00 H new ATOM 1737 N TRP B 69 14.238 3.377 -0.678 1.00 0.00 N ATOM 1738 CA TRP B 69 13.664 2.080 -1.022 1.00 0.00 C ATOM 1739 C TRP B 69 14.761 1.030 -1.179 1.00 0.00 C ATOM 1740 O TRP B 69 14.718 -0.023 -0.548 1.00 0.00 O ATOM 1741 CB TRP B 69 12.852 2.263 -2.311 1.00 0.00 C ATOM 1742 CG TRP B 69 12.455 1.023 -3.050 1.00 0.00 C ATOM 1743 CD1 TRP B 69 11.443 0.161 -2.751 1.00 0.00 C ATOM 1744 CD2 TRP B 69 13.042 0.545 -4.261 1.00 0.00 C ATOM 1745 NE1 TRP B 69 11.360 -0.819 -3.711 1.00 0.00 N ATOM 1746 CE2 TRP B 69 12.340 -0.608 -4.643 1.00 0.00 C ATOM 1747 CE3 TRP B 69 14.102 0.981 -5.052 1.00 0.00 C ATOM 1748 CZ2 TRP B 69 12.657 -1.323 -5.790 1.00 0.00 C ATOM 1749 CZ3 TRP B 69 14.421 0.272 -6.189 1.00 0.00 C ATOM 1750 CH2 TRP B 69 13.700 -0.869 -6.549 1.00 0.00 C ATOM 0 H TRP B 69 14.040 4.103 -1.367 1.00 0.00 H new ATOM 0 HA TRP B 69 13.010 1.720 -0.228 1.00 0.00 H new ATOM 0 HB2 TRP B 69 11.945 2.814 -2.064 1.00 0.00 H new ATOM 0 HB3 TRP B 69 13.431 2.890 -2.989 1.00 0.00 H new ATOM 0 HD1 TRP B 69 10.800 0.237 -1.886 1.00 0.00 H new ATOM 0 HE1 TRP B 69 10.680 -1.579 -3.726 1.00 0.00 H new ATOM 0 HE3 TRP B 69 14.665 1.861 -4.778 1.00 0.00 H new ATOM 0 HZ2 TRP B 69 12.101 -2.205 -6.072 1.00 0.00 H new ATOM 0 HZ3 TRP B 69 15.240 0.603 -6.811 1.00 0.00 H new ATOM 0 HH2 TRP B 69 13.972 -1.404 -7.447 1.00 0.00 H new ATOM 1761 N GLY B 70 15.759 1.341 -1.997 1.00 0.00 N ATOM 1762 CA GLY B 70 16.901 0.458 -2.151 1.00 0.00 C ATOM 1763 C GLY B 70 17.768 0.408 -0.902 1.00 0.00 C ATOM 1764 O GLY B 70 18.632 -0.460 -0.769 1.00 0.00 O ATOM 0 H GLY B 70 15.798 2.192 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY B 70 16.551 -0.547 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY B 70 17.504 0.792 -2.995 1.00 0.00 H new ATOM 1768 N SER B 71 17.534 1.338 0.017 1.00 0.00 N ATOM 1769 CA SER B 71 18.295 1.401 1.257 1.00 0.00 C ATOM 1770 C SER B 71 17.630 0.568 2.350 1.00 0.00 C ATOM 1771 O SER B 71 18.132 0.481 3.473 1.00 0.00 O ATOM 1772 CB SER B 71 18.437 2.853 1.718 1.00 0.00 C ATOM 1773 OG SER B 71 19.107 3.634 0.742 1.00 0.00 O ATOM 0 H SER B 71 16.820 2.061 -0.075 1.00 0.00 H new ATOM 0 HA SER B 71 19.286 0.989 1.067 1.00 0.00 H new ATOM 0 HB2 SER B 71 17.451 3.275 1.912 1.00 0.00 H new ATOM 0 HB3 SER B 71 18.989 2.888 2.658 1.00 0.00 H new ATOM 0 HG SER B 71 18.495 3.827 0.001 1.00 0.00 H new ATOM 1779 N VAL B 72 16.496 -0.031 2.025 1.00 0.00 N ATOM 1780 CA VAL B 72 15.812 -0.923 2.947 1.00 0.00 C ATOM 1781 C VAL B 72 16.489 -2.287 2.931 1.00 0.00 C ATOM 1782 O VAL B 72 16.888 -2.773 1.870 1.00 0.00 O ATOM 1783 CB VAL B 72 14.321 -1.090 2.569 1.00 0.00 C ATOM 1784 CG1 VAL B 72 13.601 -1.986 3.566 1.00 0.00 C ATOM 1785 CG2 VAL B 72 13.635 0.263 2.477 1.00 0.00 C ATOM 0 H VAL B 72 16.028 0.085 1.126 1.00 0.00 H new ATOM 0 HA VAL B 72 15.867 -0.486 3.944 1.00 0.00 H new ATOM 0 HB VAL B 72 14.275 -1.568 1.590 1.00 0.00 H new ATOM 0 HG11 VAL B 72 12.555 -2.086 3.276 1.00 0.00 H new ATOM 0 HG12 VAL B 72 14.070 -2.970 3.576 1.00 0.00 H new ATOM 0 HG13 VAL B 72 13.661 -1.545 4.561 1.00 0.00 H new ATOM 0 HG21 VAL B 72 12.588 0.122 2.210 1.00 0.00 H new ATOM 0 HG22 VAL B 72 13.699 0.770 3.440 1.00 0.00 H new ATOM 0 HG23 VAL B 72 14.125 0.869 1.715 1.00 0.00 H new ATOM 1795 N GLY B 73 16.651 -2.887 4.105 1.00 0.00 N ATOM 1796 CA GLY B 73 17.180 -4.226 4.171 1.00 0.00 C ATOM 1797 C GLY B 73 16.300 -5.179 3.404 1.00 0.00 C ATOM 1798 O GLY B 73 15.091 -5.202 3.605 1.00 0.00 O ATOM 0 H GLY B 73 16.425 -2.467 5.007 1.00 0.00 H new ATOM 0 HA2 GLY B 73 18.190 -4.245 3.762 1.00 0.00 H new ATOM 0 HA3 GLY B 73 17.251 -4.544 5.211 1.00 0.00 H new ATOM 1802 N LYS B 74 16.897 -5.957 2.525 1.00 0.00 N ATOM 1803 CA LYS B 74 16.144 -6.820 1.624 1.00 0.00 C ATOM 1804 C LYS B 74 15.474 -7.931 2.397 1.00 0.00 C ATOM 1805 O LYS B 74 14.487 -8.519 1.959 1.00 0.00 O ATOM 1806 CB LYS B 74 17.079 -7.361 0.552 1.00 0.00 C ATOM 1807 CG LYS B 74 17.828 -6.230 -0.108 1.00 0.00 C ATOM 1808 CD LYS B 74 19.277 -6.156 0.328 1.00 0.00 C ATOM 1809 CE LYS B 74 19.820 -4.743 0.165 1.00 0.00 C ATOM 1810 NZ LYS B 74 21.185 -4.592 0.736 1.00 0.00 N ATOM 0 H LYS B 74 17.909 -6.013 2.411 1.00 0.00 H new ATOM 0 HA LYS B 74 15.355 -6.248 1.136 1.00 0.00 H new ATOM 0 HB2 LYS B 74 17.784 -8.063 0.996 1.00 0.00 H new ATOM 0 HB3 LYS B 74 16.507 -7.912 -0.195 1.00 0.00 H new ATOM 0 HG2 LYS B 74 17.784 -6.353 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS B 74 17.334 -5.287 0.126 1.00 0.00 H new ATOM 0 HD2 LYS B 74 19.364 -6.466 1.369 1.00 0.00 H new ATOM 0 HD3 LYS B 74 19.875 -6.850 -0.262 1.00 0.00 H new ATOM 0 HE2 LYS B 74 19.841 -4.484 -0.894 1.00 0.00 H new ATOM 0 HE3 LYS B 74 19.145 -4.039 0.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 21.512 -3.614 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 21.163 -4.812 1.752 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 21.837 -5.244 0.255 1.00 0.00 H new ATOM 1824 N LYS B 75 16.031 -8.203 3.551 1.00 0.00 N ATOM 1825 CA LYS B 75 15.410 -9.103 4.509 1.00 0.00 C ATOM 1826 C LYS B 75 14.241 -8.401 5.191 1.00 0.00 C ATOM 1827 O LYS B 75 13.136 -8.942 5.282 1.00 0.00 O ATOM 1828 CB LYS B 75 16.426 -9.560 5.557 1.00 0.00 C ATOM 1829 CG LYS B 75 15.808 -10.339 6.714 1.00 0.00 C ATOM 1830 CD LYS B 75 15.044 -11.563 6.231 1.00 0.00 C ATOM 1831 CE LYS B 75 14.296 -12.239 7.369 1.00 0.00 C ATOM 1832 NZ LYS B 75 15.209 -12.682 8.453 1.00 0.00 N ATOM 0 H LYS B 75 16.922 -7.813 3.858 1.00 0.00 H new ATOM 0 HA LYS B 75 15.045 -9.981 3.976 1.00 0.00 H new ATOM 0 HB2 LYS B 75 17.179 -10.182 5.073 1.00 0.00 H new ATOM 0 HB3 LYS B 75 16.943 -8.686 5.954 1.00 0.00 H new ATOM 0 HG2 LYS B 75 16.594 -10.650 7.403 1.00 0.00 H new ATOM 0 HG3 LYS B 75 15.135 -9.688 7.271 1.00 0.00 H new ATOM 0 HD2 LYS B 75 14.338 -11.269 5.454 1.00 0.00 H new ATOM 0 HD3 LYS B 75 15.738 -12.271 5.779 1.00 0.00 H new ATOM 0 HE2 LYS B 75 13.558 -11.549 7.777 1.00 0.00 H new ATOM 0 HE3 LYS B 75 13.749 -13.099 6.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 14.676 -13.240 9.150 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 15.969 -13.266 8.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 15.623 -11.850 8.920 1.00 0.00 H new ATOM 1846 N GLU B 76 14.494 -7.182 5.648 1.00 0.00 N ATOM 1847 CA GLU B 76 13.488 -6.395 6.341 1.00 0.00 C ATOM 1848 C GLU B 76 12.306 -6.115 5.423 1.00 0.00 C ATOM 1849 O GLU B 76 11.158 -6.162 5.852 1.00 0.00 O ATOM 1850 CB GLU B 76 14.095 -5.080 6.826 1.00 0.00 C ATOM 1851 CG GLU B 76 13.223 -4.338 7.822 1.00 0.00 C ATOM 1852 CD GLU B 76 13.059 -5.093 9.124 1.00 0.00 C ATOM 1853 OE1 GLU B 76 14.082 -5.350 9.796 1.00 0.00 O ATOM 1854 OE2 GLU B 76 11.911 -5.412 9.495 1.00 0.00 O ATOM 0 H GLU B 76 15.396 -6.715 5.549 1.00 0.00 H new ATOM 0 HA GLU B 76 13.134 -6.963 7.201 1.00 0.00 H new ATOM 0 HB2 GLU B 76 15.063 -5.284 7.284 1.00 0.00 H new ATOM 0 HB3 GLU B 76 14.279 -4.436 5.966 1.00 0.00 H new ATOM 0 HG2 GLU B 76 13.660 -3.360 8.025 1.00 0.00 H new ATOM 0 HG3 GLU B 76 12.242 -4.163 7.381 1.00 0.00 H new ATOM 1861 N ALA B 77 12.599 -5.833 4.157 1.00 0.00 N ATOM 1862 CA ALA B 77 11.570 -5.582 3.162 1.00 0.00 C ATOM 1863 C ALA B 77 10.627 -6.772 3.050 1.00 0.00 C ATOM 1864 O ALA B 77 9.418 -6.600 2.923 1.00 0.00 O ATOM 1865 CB ALA B 77 12.203 -5.268 1.815 1.00 0.00 C ATOM 0 H ALA B 77 13.551 -5.773 3.797 1.00 0.00 H new ATOM 0 HA ALA B 77 10.987 -4.718 3.479 1.00 0.00 H new ATOM 0 HB1 ALA B 77 11.420 -5.082 1.080 1.00 0.00 H new ATOM 0 HB2 ALA B 77 12.833 -4.383 1.906 1.00 0.00 H new ATOM 0 HB3 ALA B 77 12.810 -6.114 1.492 1.00 0.00 H new ATOM 1871 N MET B 78 11.187 -7.979 3.119 1.00 0.00 N ATOM 1872 CA MET B 78 10.381 -9.196 3.094 1.00 0.00 C ATOM 1873 C MET B 78 9.432 -9.207 4.280 1.00 0.00 C ATOM 1874 O MET B 78 8.248 -9.516 4.143 1.00 0.00 O ATOM 1875 CB MET B 78 11.263 -10.449 3.142 1.00 0.00 C ATOM 1876 CG MET B 78 12.190 -10.607 1.950 1.00 0.00 C ATOM 1877 SD MET B 78 13.194 -12.103 2.047 1.00 0.00 S ATOM 1878 CE MET B 78 11.924 -13.367 1.974 1.00 0.00 C ATOM 0 H MET B 78 12.192 -8.139 3.192 1.00 0.00 H new ATOM 0 HA MET B 78 9.816 -9.206 2.162 1.00 0.00 H new ATOM 0 HB2 MET B 78 11.862 -10.423 4.052 1.00 0.00 H new ATOM 0 HB3 MET B 78 10.622 -11.328 3.208 1.00 0.00 H new ATOM 0 HG2 MET B 78 11.599 -10.629 1.035 1.00 0.00 H new ATOM 0 HG3 MET B 78 12.845 -9.738 1.885 1.00 0.00 H new ATOM 0 HE1 MET B 78 12.373 -14.318 1.686 1.00 0.00 H new ATOM 0 HE2 MET B 78 11.455 -13.469 2.953 1.00 0.00 H new ATOM 0 HE3 MET B 78 11.171 -13.084 1.238 1.00 0.00 H new ATOM 1888 N GLU B 79 9.966 -8.852 5.441 1.00 0.00 N ATOM 1889 CA GLU B 79 9.182 -8.798 6.664 1.00 0.00 C ATOM 1890 C GLU B 79 8.114 -7.711 6.574 1.00 0.00 C ATOM 1891 O GLU B 79 6.966 -7.925 6.970 1.00 0.00 O ATOM 1892 CB GLU B 79 10.092 -8.546 7.864 1.00 0.00 C ATOM 1893 CG GLU B 79 11.156 -9.615 8.048 1.00 0.00 C ATOM 1894 CD GLU B 79 11.973 -9.414 9.306 1.00 0.00 C ATOM 1895 OE1 GLU B 79 11.383 -9.442 10.411 1.00 0.00 O ATOM 1896 OE2 GLU B 79 13.207 -9.251 9.205 1.00 0.00 O ATOM 0 H GLU B 79 10.946 -8.596 5.560 1.00 0.00 H new ATOM 0 HA GLU B 79 8.684 -9.759 6.795 1.00 0.00 H new ATOM 0 HB2 GLU B 79 10.577 -7.577 7.746 1.00 0.00 H new ATOM 0 HB3 GLU B 79 9.484 -8.490 8.767 1.00 0.00 H new ATOM 0 HG2 GLU B 79 10.679 -10.595 8.082 1.00 0.00 H new ATOM 0 HG3 GLU B 79 11.820 -9.613 7.184 1.00 0.00 H new ATOM 1903 N ILE B 80 8.502 -6.551 6.049 1.00 0.00 N ATOM 1904 CA ILE B 80 7.584 -5.429 5.880 1.00 0.00 C ATOM 1905 C ILE B 80 6.446 -5.804 4.939 1.00 0.00 C ATOM 1906 O ILE B 80 5.279 -5.672 5.292 1.00 0.00 O ATOM 1907 CB ILE B 80 8.298 -4.174 5.323 1.00 0.00 C ATOM 1908 CG1 ILE B 80 9.417 -3.725 6.265 1.00 0.00 C ATOM 1909 CG2 ILE B 80 7.298 -3.041 5.117 1.00 0.00 C ATOM 1910 CD1 ILE B 80 10.294 -2.630 5.697 1.00 0.00 C ATOM 0 H ILE B 80 9.453 -6.364 5.732 1.00 0.00 H new ATOM 0 HA ILE B 80 7.190 -5.195 6.869 1.00 0.00 H new ATOM 0 HB ILE B 80 8.740 -4.432 4.360 1.00 0.00 H new ATOM 0 HG12 ILE B 80 8.975 -3.376 7.198 1.00 0.00 H new ATOM 0 HG13 ILE B 80 10.040 -4.585 6.510 1.00 0.00 H new ATOM 0 HG21 ILE B 80 7.816 -2.166 4.725 1.00 0.00 H new ATOM 0 HG22 ILE B 80 6.531 -3.356 4.409 1.00 0.00 H new ATOM 0 HG23 ILE B 80 6.831 -2.790 6.069 1.00 0.00 H new ATOM 0 HD11 ILE B 80 11.063 -2.366 6.423 1.00 0.00 H new ATOM 0 HD12 ILE B 80 10.766 -2.981 4.780 1.00 0.00 H new ATOM 0 HD13 ILE B 80 9.685 -1.753 5.479 1.00 0.00 H new ATOM 1922 N ILE B 81 6.800 -6.289 3.753 1.00 0.00 N ATOM 1923 CA ILE B 81 5.814 -6.658 2.743 1.00 0.00 C ATOM 1924 C ILE B 81 4.872 -7.742 3.263 1.00 0.00 C ATOM 1925 O ILE B 81 3.668 -7.697 3.015 1.00 0.00 O ATOM 1926 CB ILE B 81 6.498 -7.135 1.438 1.00 0.00 C ATOM 1927 CG1 ILE B 81 7.262 -5.981 0.778 1.00 0.00 C ATOM 1928 CG2 ILE B 81 5.485 -7.725 0.467 1.00 0.00 C ATOM 1929 CD1 ILE B 81 6.391 -4.799 0.399 1.00 0.00 C ATOM 0 H ILE B 81 7.768 -6.436 3.467 1.00 0.00 H new ATOM 0 HA ILE B 81 5.229 -5.765 2.521 1.00 0.00 H new ATOM 0 HB ILE B 81 7.208 -7.919 1.701 1.00 0.00 H new ATOM 0 HG12 ILE B 81 8.043 -5.640 1.458 1.00 0.00 H new ATOM 0 HG13 ILE B 81 7.760 -6.354 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE B 81 5.996 -8.050 -0.439 1.00 0.00 H new ATOM 0 HG22 ILE B 81 4.990 -8.578 0.931 1.00 0.00 H new ATOM 0 HG23 ILE B 81 4.742 -6.969 0.213 1.00 0.00 H new ATOM 0 HD11 ILE B 81 7.007 -4.026 -0.062 1.00 0.00 H new ATOM 0 HD12 ILE B 81 5.626 -5.122 -0.307 1.00 0.00 H new ATOM 0 HD13 ILE B 81 5.913 -4.398 1.293 1.00 0.00 H new ATOM 1941 N LYS B 82 5.422 -8.702 3.997 1.00 0.00 N ATOM 1942 CA LYS B 82 4.624 -9.774 4.579 1.00 0.00 C ATOM 1943 C LYS B 82 3.559 -9.208 5.518 1.00 0.00 C ATOM 1944 O LYS B 82 2.373 -9.516 5.388 1.00 0.00 O ATOM 1945 CB LYS B 82 5.530 -10.754 5.329 1.00 0.00 C ATOM 1946 CG LYS B 82 4.786 -11.910 5.983 1.00 0.00 C ATOM 1947 CD LYS B 82 5.745 -12.905 6.624 1.00 0.00 C ATOM 1948 CE LYS B 82 6.623 -13.595 5.589 1.00 0.00 C ATOM 1949 NZ LYS B 82 5.820 -14.370 4.608 1.00 0.00 N ATOM 0 H LYS B 82 6.419 -8.760 4.203 1.00 0.00 H new ATOM 0 HA LYS B 82 4.118 -10.306 3.773 1.00 0.00 H new ATOM 0 HB2 LYS B 82 6.266 -11.157 4.634 1.00 0.00 H new ATOM 0 HB3 LYS B 82 6.080 -10.209 6.096 1.00 0.00 H new ATOM 0 HG2 LYS B 82 4.104 -11.522 6.740 1.00 0.00 H new ATOM 0 HG3 LYS B 82 4.177 -12.420 5.236 1.00 0.00 H new ATOM 0 HD2 LYS B 82 6.375 -12.387 7.347 1.00 0.00 H new ATOM 0 HD3 LYS B 82 5.176 -13.654 7.175 1.00 0.00 H new ATOM 0 HE2 LYS B 82 7.218 -12.849 5.062 1.00 0.00 H new ATOM 0 HE3 LYS B 82 7.322 -14.262 6.093 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 6.447 -14.995 4.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 5.114 -14.943 5.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 5.336 -13.715 3.961 1.00 0.00 H new ATOM 1963 N LYS B 83 3.986 -8.358 6.443 1.00 0.00 N ATOM 1964 CA LYS B 83 3.072 -7.755 7.407 1.00 0.00 C ATOM 1965 C LYS B 83 2.166 -6.728 6.731 1.00 0.00 C ATOM 1966 O LYS B 83 1.050 -6.474 7.187 1.00 0.00 O ATOM 1967 CB LYS B 83 3.859 -7.118 8.554 1.00 0.00 C ATOM 1968 CG LYS B 83 4.587 -8.144 9.410 1.00 0.00 C ATOM 1969 CD LYS B 83 5.410 -7.499 10.517 1.00 0.00 C ATOM 1970 CE LYS B 83 6.633 -6.780 9.971 1.00 0.00 C ATOM 1971 NZ LYS B 83 7.455 -6.182 11.057 1.00 0.00 N ATOM 0 H LYS B 83 4.959 -8.070 6.547 1.00 0.00 H new ATOM 0 HA LYS B 83 2.436 -8.539 7.818 1.00 0.00 H new ATOM 0 HB2 LYS B 83 4.583 -6.414 8.145 1.00 0.00 H new ATOM 0 HB3 LYS B 83 3.177 -6.545 9.182 1.00 0.00 H new ATOM 0 HG2 LYS B 83 3.860 -8.826 9.852 1.00 0.00 H new ATOM 0 HG3 LYS B 83 5.241 -8.743 8.776 1.00 0.00 H new ATOM 0 HD2 LYS B 83 4.788 -6.792 11.066 1.00 0.00 H new ATOM 0 HD3 LYS B 83 5.726 -8.264 11.227 1.00 0.00 H new ATOM 0 HE2 LYS B 83 7.241 -7.481 9.399 1.00 0.00 H new ATOM 0 HE3 LYS B 83 6.316 -5.997 9.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 83 8.279 -5.701 10.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 83 6.883 -5.494 11.587 1.00 0.00 H new ATOM 0 HZ3 LYS B 83 7.779 -6.932 11.701 1.00 0.00 H new ATOM 1985 N PHE B 84 2.653 -6.154 5.639 1.00 0.00 N ATOM 1986 CA PHE B 84 1.869 -5.229 4.833 1.00 0.00 C ATOM 1987 C PHE B 84 0.680 -5.969 4.230 1.00 0.00 C ATOM 1988 O PHE B 84 -0.464 -5.518 4.320 1.00 0.00 O ATOM 1989 CB PHE B 84 2.747 -4.636 3.724 1.00 0.00 C ATOM 1990 CG PHE B 84 2.261 -3.324 3.182 1.00 0.00 C ATOM 1991 CD1 PHE B 84 2.868 -2.141 3.569 1.00 0.00 C ATOM 1992 CD2 PHE B 84 1.209 -3.270 2.284 1.00 0.00 C ATOM 1993 CE1 PHE B 84 2.435 -0.930 3.072 1.00 0.00 C ATOM 1994 CE2 PHE B 84 0.770 -2.060 1.783 1.00 0.00 C ATOM 1995 CZ PHE B 84 1.385 -0.888 2.177 1.00 0.00 C ATOM 0 H PHE B 84 3.597 -6.315 5.289 1.00 0.00 H new ATOM 0 HA PHE B 84 1.502 -4.416 5.459 1.00 0.00 H new ATOM 0 HB2 PHE B 84 3.758 -4.504 4.110 1.00 0.00 H new ATOM 0 HB3 PHE B 84 2.810 -5.353 2.905 1.00 0.00 H new ATOM 0 HD1 PHE B 84 3.690 -2.167 4.269 1.00 0.00 H new ATOM 0 HD2 PHE B 84 0.726 -4.184 1.972 1.00 0.00 H new ATOM 0 HE1 PHE B 84 2.917 -0.015 3.383 1.00 0.00 H new ATOM 0 HE2 PHE B 84 -0.053 -2.031 1.084 1.00 0.00 H new ATOM 0 HZ PHE B 84 1.045 0.059 1.786 1.00 0.00 H new ATOM 2005 N LYS B 85 0.965 -7.126 3.636 1.00 0.00 N ATOM 2006 CA LYS B 85 -0.067 -7.982 3.064 1.00 0.00 C ATOM 2007 C LYS B 85 -1.071 -8.413 4.129 1.00 0.00 C ATOM 2008 O LYS B 85 -2.264 -8.553 3.851 1.00 0.00 O ATOM 2009 CB LYS B 85 0.558 -9.222 2.417 1.00 0.00 C ATOM 2010 CG LYS B 85 1.449 -8.920 1.222 1.00 0.00 C ATOM 2011 CD LYS B 85 1.973 -10.198 0.588 1.00 0.00 C ATOM 2012 CE LYS B 85 2.786 -9.909 -0.663 1.00 0.00 C ATOM 2013 NZ LYS B 85 3.279 -11.155 -1.305 1.00 0.00 N ATOM 0 H LYS B 85 1.912 -7.493 3.539 1.00 0.00 H new ATOM 0 HA LYS B 85 -0.590 -7.406 2.301 1.00 0.00 H new ATOM 0 HB2 LYS B 85 1.143 -9.753 3.167 1.00 0.00 H new ATOM 0 HB3 LYS B 85 -0.240 -9.894 2.101 1.00 0.00 H new ATOM 0 HG2 LYS B 85 0.888 -8.348 0.483 1.00 0.00 H new ATOM 0 HG3 LYS B 85 2.287 -8.298 1.538 1.00 0.00 H new ATOM 0 HD2 LYS B 85 2.590 -10.735 1.308 1.00 0.00 H new ATOM 0 HD3 LYS B 85 1.136 -10.850 0.336 1.00 0.00 H new ATOM 0 HE2 LYS B 85 2.174 -9.353 -1.373 1.00 0.00 H new ATOM 0 HE3 LYS B 85 3.633 -9.273 -0.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 4.246 -11.005 -1.658 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 3.281 -11.927 -0.608 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 2.656 -11.407 -2.099 1.00 0.00 H new ATOM 2027 N LYS B 86 -0.579 -8.617 5.347 1.00 0.00 N ATOM 2028 CA LYS B 86 -1.428 -9.028 6.460 1.00 0.00 C ATOM 2029 C LYS B 86 -2.444 -7.947 6.819 1.00 0.00 C ATOM 2030 O LYS B 86 -3.606 -8.250 7.095 1.00 0.00 O ATOM 2031 CB LYS B 86 -0.585 -9.376 7.690 1.00 0.00 C ATOM 2032 CG LYS B 86 0.317 -10.586 7.496 1.00 0.00 C ATOM 2033 CD LYS B 86 -0.481 -11.827 7.129 1.00 0.00 C ATOM 2034 CE LYS B 86 0.417 -13.043 6.979 1.00 0.00 C ATOM 2035 NZ LYS B 86 -0.350 -14.251 6.577 1.00 0.00 N ATOM 0 H LYS B 86 0.406 -8.504 5.589 1.00 0.00 H new ATOM 0 HA LYS B 86 -1.972 -9.916 6.139 1.00 0.00 H new ATOM 0 HB2 LYS B 86 0.030 -8.515 7.953 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -1.250 -9.562 8.533 1.00 0.00 H new ATOM 0 HG2 LYS B 86 1.045 -10.376 6.712 1.00 0.00 H new ATOM 0 HG3 LYS B 86 0.879 -10.772 8.411 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -1.230 -12.019 7.897 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -1.018 -11.653 6.197 1.00 0.00 H new ATOM 0 HE2 LYS B 86 1.186 -12.837 6.235 1.00 0.00 H new ATOM 0 HE3 LYS B 86 0.929 -13.235 7.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 0.298 -15.059 6.485 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -1.067 -14.463 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -0.818 -14.077 5.665 1.00 0.00 H new ATOM 2049 N ASP B 87 -2.012 -6.690 6.820 1.00 0.00 N ATOM 2050 CA ASP B 87 -2.915 -5.586 7.142 1.00 0.00 C ATOM 2051 C ASP B 87 -3.893 -5.359 5.999 1.00 0.00 C ATOM 2052 O ASP B 87 -5.060 -5.036 6.222 1.00 0.00 O ATOM 2053 CB ASP B 87 -2.143 -4.300 7.442 1.00 0.00 C ATOM 2054 CG ASP B 87 -3.038 -3.211 8.013 1.00 0.00 C ATOM 2055 OD1 ASP B 87 -3.643 -3.437 9.084 1.00 0.00 O ATOM 2056 OD2 ASP B 87 -3.124 -2.118 7.418 1.00 0.00 O ATOM 0 H ASP B 87 -1.055 -6.410 6.605 1.00 0.00 H new ATOM 0 HA ASP B 87 -3.470 -5.858 8.040 1.00 0.00 H new ATOM 0 HB2 ASP B 87 -1.341 -4.516 8.148 1.00 0.00 H new ATOM 0 HB3 ASP B 87 -1.673 -3.939 6.527 1.00 0.00 H new ATOM 2061 N LEU B 88 -3.413 -5.551 4.773 1.00 0.00 N ATOM 2062 CA LEU B 88 -4.270 -5.484 3.595 1.00 0.00 C ATOM 2063 C LEU B 88 -5.386 -6.514 3.702 1.00 0.00 C ATOM 2064 O LEU B 88 -6.552 -6.220 3.438 1.00 0.00 O ATOM 2065 CB LEU B 88 -3.461 -5.738 2.321 1.00 0.00 C ATOM 2066 CG LEU B 88 -2.416 -4.679 1.975 1.00 0.00 C ATOM 2067 CD1 LEU B 88 -1.655 -5.085 0.724 1.00 0.00 C ATOM 2068 CD2 LEU B 88 -3.069 -3.318 1.782 1.00 0.00 C ATOM 0 H LEU B 88 -2.434 -5.754 4.570 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.701 -4.484 3.544 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.958 -6.700 2.419 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -4.154 -5.824 1.484 1.00 0.00 H new ATOM 0 HG LEU B 88 -1.714 -4.603 2.805 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.913 -4.323 0.486 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.155 -6.038 0.896 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -2.351 -5.186 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -2.306 -2.580 1.536 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -3.794 -3.374 0.970 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -3.576 -3.024 2.701 1.00 0.00 H new ATOM 2080 N ALA B 89 -5.012 -7.722 4.108 1.00 0.00 N ATOM 2081 CA ALA B 89 -5.968 -8.804 4.296 1.00 0.00 C ATOM 2082 C ALA B 89 -6.976 -8.449 5.380 1.00 0.00 C ATOM 2083 O ALA B 89 -8.170 -8.719 5.246 1.00 0.00 O ATOM 2084 CB ALA B 89 -5.240 -10.091 4.649 1.00 0.00 C ATOM 0 H ALA B 89 -4.046 -7.977 4.314 1.00 0.00 H new ATOM 0 HA ALA B 89 -6.510 -8.953 3.362 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -5.965 -10.893 4.787 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -4.556 -10.355 3.842 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -4.676 -9.949 5.571 1.00 0.00 H new ATOM 2090 N ALA B 90 -6.486 -7.828 6.446 1.00 0.00 N ATOM 2091 CA ALA B 90 -7.336 -7.416 7.552 1.00 0.00 C ATOM 2092 C ALA B 90 -8.354 -6.378 7.093 1.00 0.00 C ATOM 2093 O ALA B 90 -9.543 -6.494 7.387 1.00 0.00 O ATOM 2094 CB ALA B 90 -6.493 -6.870 8.693 1.00 0.00 C ATOM 0 H ALA B 90 -5.499 -7.599 6.566 1.00 0.00 H new ATOM 0 HA ALA B 90 -7.880 -8.290 7.911 1.00 0.00 H new ATOM 0 HB1 ALA B 90 -7.144 -6.566 9.513 1.00 0.00 H new ATOM 0 HB2 ALA B 90 -5.808 -7.643 9.041 1.00 0.00 H new ATOM 0 HB3 ALA B 90 -5.922 -6.009 8.344 1.00 0.00 H new ATOM 2100 N MET B 91 -7.881 -5.376 6.355 1.00 0.00 N ATOM 2101 CA MET B 91 -8.752 -4.323 5.838 1.00 0.00 C ATOM 2102 C MET B 91 -9.770 -4.901 4.861 1.00 0.00 C ATOM 2103 O MET B 91 -10.930 -4.492 4.845 1.00 0.00 O ATOM 2104 CB MET B 91 -7.934 -3.225 5.150 1.00 0.00 C ATOM 2105 CG MET B 91 -6.966 -2.504 6.077 1.00 0.00 C ATOM 2106 SD MET B 91 -7.779 -1.756 7.506 1.00 0.00 S ATOM 2107 CE MET B 91 -8.870 -0.575 6.717 1.00 0.00 C ATOM 0 H MET B 91 -6.899 -5.271 6.101 1.00 0.00 H new ATOM 0 HA MET B 91 -9.283 -3.883 6.683 1.00 0.00 H new ATOM 0 HB2 MET B 91 -7.372 -3.666 4.326 1.00 0.00 H new ATOM 0 HB3 MET B 91 -8.617 -2.495 4.715 1.00 0.00 H new ATOM 0 HG2 MET B 91 -6.211 -3.209 6.424 1.00 0.00 H new ATOM 0 HG3 MET B 91 -6.444 -1.729 5.516 1.00 0.00 H new ATOM 0 HE1 MET B 91 -9.462 -0.063 7.476 1.00 0.00 H new ATOM 0 HE2 MET B 91 -8.278 0.155 6.165 1.00 0.00 H new ATOM 0 HE3 MET B 91 -9.535 -1.097 6.029 1.00 0.00 H new ATOM 2117 N LEU B 92 -9.322 -5.855 4.051 1.00 0.00 N ATOM 2118 CA LEU B 92 -10.197 -6.553 3.114 1.00 0.00 C ATOM 2119 C LEU B 92 -11.334 -7.249 3.857 1.00 0.00 C ATOM 2120 O LEU B 92 -12.507 -7.162 3.466 1.00 0.00 O ATOM 2121 CB LEU B 92 -9.388 -7.578 2.315 1.00 0.00 C ATOM 2122 CG LEU B 92 -10.201 -8.491 1.397 1.00 0.00 C ATOM 2123 CD1 LEU B 92 -10.984 -7.674 0.384 1.00 0.00 C ATOM 2124 CD2 LEU B 92 -9.285 -9.480 0.695 1.00 0.00 C ATOM 0 H LEU B 92 -8.350 -6.165 4.025 1.00 0.00 H new ATOM 0 HA LEU B 92 -10.629 -5.823 2.430 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -8.655 -7.044 1.710 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -8.831 -8.200 3.015 1.00 0.00 H new ATOM 0 HG LEU B 92 -10.913 -9.049 2.005 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -11.556 -8.343 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -11.666 -7.003 0.907 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -10.293 -7.089 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -9.876 -10.125 0.044 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -8.552 -8.937 0.099 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -8.770 -10.089 1.438 1.00 0.00 H new ATOM 2136 N ARG B 93 -10.977 -7.933 4.935 1.00 0.00 N ATOM 2137 CA ARG B 93 -11.956 -8.612 5.763 1.00 0.00 C ATOM 2138 C ARG B 93 -12.983 -7.627 6.303 1.00 0.00 C ATOM 2139 O ARG B 93 -14.162 -7.949 6.391 1.00 0.00 O ATOM 2140 CB ARG B 93 -11.278 -9.346 6.914 1.00 0.00 C ATOM 2141 CG ARG B 93 -10.448 -10.532 6.463 1.00 0.00 C ATOM 2142 CD ARG B 93 -9.842 -11.260 7.645 1.00 0.00 C ATOM 2143 NE ARG B 93 -10.863 -11.783 8.551 1.00 0.00 N ATOM 2144 CZ ARG B 93 -10.600 -12.558 9.601 1.00 0.00 C ATOM 2145 NH1 ARG B 93 -9.349 -12.899 9.883 1.00 0.00 N ATOM 2146 NH2 ARG B 93 -11.592 -12.991 10.370 1.00 0.00 N ATOM 0 H ARG B 93 -10.013 -8.031 5.255 1.00 0.00 H new ATOM 0 HA ARG B 93 -12.470 -9.344 5.140 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -10.638 -8.648 7.454 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -12.039 -9.689 7.615 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -11.072 -11.219 5.891 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -9.655 -10.192 5.797 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -9.222 -12.081 7.285 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -9.187 -10.581 8.191 1.00 0.00 H new ATOM 0 HE ARG B 93 -11.836 -11.539 8.368 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -8.585 -12.567 9.294 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -9.151 -13.493 10.688 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -12.554 -12.730 10.156 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -11.392 -13.585 11.175 1.00 0.00 H new ATOM 2160 N ILE B 94 -12.536 -6.422 6.641 1.00 0.00 N ATOM 2161 CA ILE B 94 -13.435 -5.396 7.154 1.00 0.00 C ATOM 2162 C ILE B 94 -14.386 -4.911 6.058 1.00 0.00 C ATOM 2163 O ILE B 94 -15.557 -4.632 6.327 1.00 0.00 O ATOM 2164 CB ILE B 94 -12.668 -4.192 7.736 1.00 0.00 C ATOM 2165 CG1 ILE B 94 -11.562 -4.665 8.680 1.00 0.00 C ATOM 2166 CG2 ILE B 94 -13.627 -3.277 8.483 1.00 0.00 C ATOM 2167 CD1 ILE B 94 -10.694 -3.544 9.210 1.00 0.00 C ATOM 0 H ILE B 94 -11.560 -6.133 6.569 1.00 0.00 H new ATOM 0 HA ILE B 94 -14.009 -5.855 7.959 1.00 0.00 H new ATOM 0 HB ILE B 94 -12.212 -3.641 6.913 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -12.014 -5.191 9.521 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -10.932 -5.384 8.156 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -13.077 -2.429 8.891 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -14.394 -2.916 7.798 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -14.098 -3.829 9.296 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -9.932 -3.956 9.872 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -10.212 -3.032 8.377 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -11.311 -2.836 9.763 1.00 0.00 H new ATOM 2179 N ILE B 95 -13.881 -4.822 4.823 1.00 0.00 N ATOM 2180 CA ILE B 95 -14.712 -4.466 3.669 1.00 0.00 C ATOM 2181 C ILE B 95 -15.948 -5.359 3.623 1.00 0.00 C ATOM 2182 O ILE B 95 -17.087 -4.880 3.607 1.00 0.00 O ATOM 2183 CB ILE B 95 -13.945 -4.617 2.330 1.00 0.00 C ATOM 2184 CG1 ILE B 95 -12.761 -3.658 2.273 1.00 0.00 C ATOM 2185 CG2 ILE B 95 -14.878 -4.347 1.159 1.00 0.00 C ATOM 2186 CD1 ILE B 95 -13.173 -2.225 2.052 1.00 0.00 C ATOM 0 H ILE B 95 -12.901 -4.992 4.597 1.00 0.00 H new ATOM 0 HA ILE B 95 -14.996 -3.421 3.789 1.00 0.00 H new ATOM 0 HB ILE B 95 -13.570 -5.639 2.266 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.198 -3.729 3.204 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.090 -3.965 1.471 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -14.329 -4.456 0.224 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -15.704 -5.058 1.180 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.271 -3.333 1.233 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.286 -1.592 2.021 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.711 -2.143 1.108 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -13.820 -1.903 2.868 1.00 0.00 H new ATOM 2198 N ASN B 96 -15.716 -6.666 3.644 1.00 0.00 N ATOM 2199 CA ASN B 96 -16.805 -7.630 3.518 1.00 0.00 C ATOM 2200 C ASN B 96 -17.491 -7.866 4.863 1.00 0.00 C ATOM 2201 O ASN B 96 -18.602 -8.395 4.920 1.00 0.00 O ATOM 2202 CB ASN B 96 -16.277 -8.953 2.946 1.00 0.00 C ATOM 2203 CG ASN B 96 -17.320 -9.733 2.156 1.00 0.00 C ATOM 2204 OD1 ASN B 96 -16.985 -10.456 1.217 1.00 0.00 O ATOM 2205 ND2 ASN B 96 -18.583 -9.611 2.527 1.00 0.00 N ATOM 0 H ASN B 96 -14.790 -7.082 3.746 1.00 0.00 H new ATOM 0 HA ASN B 96 -17.546 -7.219 2.832 1.00 0.00 H new ATOM 0 HB2 ASN B 96 -15.424 -8.746 2.300 1.00 0.00 H new ATOM 0 HB3 ASN B 96 -15.913 -9.574 3.765 1.00 0.00 H new ATOM 0 HD21 ASN B 96 -19.312 -10.124 2.031 1.00 0.00 H new ATOM 0 HD22 ASN B 96 -18.828 -9.004 3.309 1.00 0.00 H new ATOM 2212 N ALA B 97 -16.839 -7.464 5.941 1.00 0.00 N ATOM 2213 CA ALA B 97 -17.411 -7.603 7.273 1.00 0.00 C ATOM 2214 C ALA B 97 -18.628 -6.714 7.430 1.00 0.00 C ATOM 2215 O ALA B 97 -19.653 -7.131 7.968 1.00 0.00 O ATOM 2216 CB ALA B 97 -16.391 -7.249 8.335 1.00 0.00 C ATOM 0 H ALA B 97 -15.912 -7.038 5.922 1.00 0.00 H new ATOM 0 HA ALA B 97 -17.710 -8.644 7.398 1.00 0.00 H new ATOM 0 HB1 ALA B 97 -16.840 -7.360 9.322 1.00 0.00 H new ATOM 0 HB2 ALA B 97 -15.532 -7.914 8.250 1.00 0.00 H new ATOM 0 HB3 ALA B 97 -16.066 -6.218 8.198 1.00 0.00 H new ATOM 2222 N ARG B 98 -18.512 -5.491 6.945 1.00 0.00 N ATOM 2223 CA ARG B 98 -19.571 -4.515 7.115 1.00 0.00 C ATOM 2224 C ARG B 98 -20.511 -4.518 5.923 1.00 0.00 C ATOM 2225 O ARG B 98 -21.724 -4.396 6.081 1.00 0.00 O ATOM 2226 CB ARG B 98 -18.995 -3.113 7.337 1.00 0.00 C ATOM 2227 CG ARG B 98 -17.981 -2.678 6.287 1.00 0.00 C ATOM 2228 CD ARG B 98 -17.499 -1.262 6.541 1.00 0.00 C ATOM 2229 NE ARG B 98 -16.961 -1.090 7.891 1.00 0.00 N ATOM 2230 CZ ARG B 98 -17.037 0.050 8.579 1.00 0.00 C ATOM 2231 NH1 ARG B 98 -17.711 1.082 8.085 1.00 0.00 N ATOM 2232 NH2 ARG B 98 -16.470 0.147 9.775 1.00 0.00 N ATOM 0 H ARG B 98 -17.698 -5.152 6.432 1.00 0.00 H new ATOM 0 HA ARG B 98 -20.141 -4.796 8.001 1.00 0.00 H new ATOM 0 HB2 ARG B 98 -19.815 -2.395 7.353 1.00 0.00 H new ATOM 0 HB3 ARG B 98 -18.522 -3.079 8.318 1.00 0.00 H new ATOM 0 HG2 ARG B 98 -17.131 -3.361 6.294 1.00 0.00 H new ATOM 0 HG3 ARG B 98 -18.431 -2.739 5.296 1.00 0.00 H new ATOM 0 HD2 ARG B 98 -16.731 -1.006 5.811 1.00 0.00 H new ATOM 0 HD3 ARG B 98 -18.325 -0.567 6.391 1.00 0.00 H new ATOM 0 HE ARG B 98 -16.502 -1.887 8.331 1.00 0.00 H new ATOM 0 HH11 ARG B 98 -18.171 1.003 7.178 1.00 0.00 H new ATOM 0 HH12 ARG B 98 -17.768 1.953 8.612 1.00 0.00 H new ATOM 0 HH21 ARG B 98 -15.974 -0.652 10.171 1.00 0.00 H new ATOM 0 HH22 ARG B 98 -16.530 1.020 10.299 1.00 0.00 H new