USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=22 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 Set 1.1: A 78 MET CE :methyl -162:sc= 0 (180deg=0) USER MOD Set 1.2: B 96 ASN : amide:sc= -3.61! C(o=-3.6!,f=-9.1!) USER MOD Set 2.1: A 96 ASN : amide:sc= -3.54! C(o=-3.5!,f=-8.8!) USER MOD Set 2.2: B 78 MET CE :methyl -166:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 145:sc= -0.0819 (180deg=-1.31) USER MOD Single : A 57 THR OG1 : rot -60:sc= 1.28 USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= -0.0113 (180deg=-0.137) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00386 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=0.55) USER MOD Single : A 71 SER OG : rot 93:sc= 1.24 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 171:sc=-0.000341 (180deg=-0.112) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -0.0258 (180deg=-0.22) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0586) USER MOD Single : A 86 LYS NZ :NH3+ 165:sc= -0.0453 (180deg=-0.292) USER MOD Single : A 91 MET CE :methyl 158:sc= -0.534 (180deg=-1.54) USER MOD Single : B 46 MET CE :methyl 145:sc= -0.09 (180deg=-1.32) USER MOD Single : B 57 THR OG1 : rot -91:sc= 1.23 USER MOD Single : B 60 LYS NZ :NH3+ 170:sc=-0.00872 (180deg=-0.124) USER MOD Single : B 62 SER OG : rot 180:sc= 0.004 USER MOD Single : B 67 ASN : amide:sc= 0 K(o=0,f=0.56) USER MOD Single : B 71 SER OG : rot 84:sc= 1.23 USER MOD Single : B 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 LYS NZ :NH3+ 171:sc= -0.0013 (180deg=-0.107) USER MOD Single : B 82 LYS NZ :NH3+ -167:sc= -0.0134 (180deg=-0.211) USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0368) USER MOD Single : B 86 LYS NZ :NH3+ 165:sc= -0.053 (180deg=-0.369) USER MOD Single : B 91 MET CE :methyl 155:sc= -0.601 (180deg=-1.75) USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 42 -10.022 -10.110 5.430 1.00 0.00 N ATOM 101 CA GLY A 42 -9.562 -8.798 5.825 1.00 0.00 C ATOM 102 C GLY A 42 -10.678 -7.775 5.873 1.00 0.00 C ATOM 103 O GLY A 42 -11.478 -7.682 4.939 1.00 0.00 O ATOM 0 HA2 GLY A 42 -9.092 -8.863 6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.796 -8.461 5.127 1.00 0.00 H new ATOM 107 N PRO A 43 -10.767 -6.998 6.965 1.00 0.00 N ATOM 108 CA PRO A 43 -11.735 -5.906 7.080 1.00 0.00 C ATOM 109 C PRO A 43 -11.430 -4.783 6.095 1.00 0.00 C ATOM 110 O PRO A 43 -10.419 -4.841 5.396 1.00 0.00 O ATOM 111 CB PRO A 43 -11.565 -5.421 8.521 1.00 0.00 C ATOM 112 CG PRO A 43 -10.192 -5.845 8.909 1.00 0.00 C ATOM 113 CD PRO A 43 -9.938 -7.130 8.175 1.00 0.00 C ATOM 0 HA PRO A 43 -12.751 -6.228 6.853 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.678 -4.339 8.590 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.315 -5.862 9.177 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.457 -5.087 8.637 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.117 -5.989 9.987 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.883 -7.251 7.929 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.228 -7.997 8.769 1.00 0.00 H new ATOM 121 N ILE A 44 -12.275 -3.757 6.052 1.00 0.00 N ATOM 122 CA ILE A 44 -12.156 -2.705 5.038 1.00 0.00 C ATOM 123 C ILE A 44 -10.745 -2.103 4.987 1.00 0.00 C ATOM 124 O ILE A 44 -10.222 -1.832 3.904 1.00 0.00 O ATOM 125 CB ILE A 44 -13.207 -1.591 5.243 1.00 0.00 C ATOM 126 CG1 ILE A 44 -13.109 -0.994 6.648 1.00 0.00 C ATOM 127 CG2 ILE A 44 -14.606 -2.140 4.993 1.00 0.00 C ATOM 128 CD1 ILE A 44 -14.128 0.091 6.913 1.00 0.00 C ATOM 0 H ILE A 44 -13.049 -3.629 6.704 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.348 -3.185 4.078 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.006 -0.795 4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -13.237 -1.789 7.382 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.109 -0.585 6.792 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.340 -1.347 5.140 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -14.674 -2.512 3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -14.807 -2.954 5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.001 0.469 7.927 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.986 0.905 6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.132 -0.318 6.801 1.00 0.00 H new ATOM 140 N ARG A 45 -10.126 -1.927 6.154 1.00 0.00 N ATOM 141 CA ARG A 45 -8.743 -1.456 6.230 1.00 0.00 C ATOM 142 C ARG A 45 -7.818 -2.345 5.405 1.00 0.00 C ATOM 143 O ARG A 45 -7.088 -1.875 4.530 1.00 0.00 O ATOM 144 CB ARG A 45 -8.262 -1.456 7.681 1.00 0.00 C ATOM 145 CG ARG A 45 -8.820 -0.326 8.528 1.00 0.00 C ATOM 146 CD ARG A 45 -8.450 -0.513 9.991 1.00 0.00 C ATOM 147 NE ARG A 45 -7.011 -0.719 10.170 1.00 0.00 N ATOM 148 CZ ARG A 45 -6.480 -1.747 10.837 1.00 0.00 C ATOM 149 NH1 ARG A 45 -7.267 -2.639 11.432 1.00 0.00 N ATOM 150 NH2 ARG A 45 -5.161 -1.878 10.913 1.00 0.00 N ATOM 0 H ARG A 45 -10.560 -2.103 7.060 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.716 -0.442 5.831 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.533 -2.406 8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.174 -1.397 7.690 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.433 0.628 8.170 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.904 -0.289 8.424 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.765 0.362 10.559 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.992 -1.368 10.396 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.375 -0.035 9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.281 -2.540 11.380 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.857 -3.422 11.940 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.554 -1.194 10.462 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.755 -2.663 11.422 1.00 0.00 H new ATOM 164 N MET A 46 -7.877 -3.639 5.681 1.00 0.00 N ATOM 165 CA MET A 46 -7.004 -4.603 5.032 1.00 0.00 C ATOM 166 C MET A 46 -7.385 -4.792 3.568 1.00 0.00 C ATOM 167 O MET A 46 -6.577 -5.266 2.774 1.00 0.00 O ATOM 168 CB MET A 46 -7.049 -5.942 5.768 1.00 0.00 C ATOM 169 CG MET A 46 -6.335 -5.924 7.112 1.00 0.00 C ATOM 170 SD MET A 46 -6.575 -7.444 8.054 1.00 0.00 S ATOM 171 CE MET A 46 -5.911 -8.664 6.922 1.00 0.00 C ATOM 0 H MET A 46 -8.525 -4.047 6.355 1.00 0.00 H new ATOM 0 HA MET A 46 -5.987 -4.214 5.069 1.00 0.00 H new ATOM 0 HB2 MET A 46 -8.090 -6.227 5.923 1.00 0.00 H new ATOM 0 HB3 MET A 46 -6.599 -6.709 5.137 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.269 -5.768 6.949 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.695 -5.078 7.698 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.419 -9.455 7.488 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.721 -9.091 6.331 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.188 -8.189 6.258 1.00 0.00 H new ATOM 181 N VAL A 47 -8.613 -4.416 3.213 1.00 0.00 N ATOM 182 CA VAL A 47 -9.057 -4.488 1.829 1.00 0.00 C ATOM 183 C VAL A 47 -8.287 -3.487 0.979 1.00 0.00 C ATOM 184 O VAL A 47 -7.782 -3.828 -0.087 1.00 0.00 O ATOM 185 CB VAL A 47 -10.572 -4.227 1.698 1.00 0.00 C ATOM 186 CG1 VAL A 47 -10.996 -4.214 0.237 1.00 0.00 C ATOM 187 CG2 VAL A 47 -11.356 -5.277 2.468 1.00 0.00 C ATOM 0 H VAL A 47 -9.313 -4.060 3.864 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.860 -5.499 1.474 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.788 -3.247 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.068 -4.028 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.458 -3.427 -0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.766 -5.178 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.423 -5.081 2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.129 -6.266 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.078 -5.239 3.521 1.00 0.00 H new ATOM 197 N LEU A 48 -8.177 -2.256 1.467 1.00 0.00 N ATOM 198 CA LEU A 48 -7.390 -1.241 0.775 1.00 0.00 C ATOM 199 C LEU A 48 -5.914 -1.628 0.767 1.00 0.00 C ATOM 200 O LEU A 48 -5.199 -1.363 -0.201 1.00 0.00 O ATOM 201 CB LEU A 48 -7.566 0.142 1.418 1.00 0.00 C ATOM 202 CG LEU A 48 -8.824 0.924 1.008 1.00 0.00 C ATOM 203 CD1 LEU A 48 -8.910 1.060 -0.504 1.00 0.00 C ATOM 204 CD2 LEU A 48 -10.082 0.270 1.556 1.00 0.00 C ATOM 0 H LEU A 48 -8.618 -1.939 2.330 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.752 -1.185 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.577 0.018 2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.692 0.747 1.175 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.747 1.922 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.809 1.617 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.032 1.591 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.951 0.069 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.955 0.846 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.163 -0.745 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.032 0.240 2.644 1.00 0.00 H new ATOM 216 N ALA A 49 -5.471 -2.267 1.845 1.00 0.00 N ATOM 217 CA ALA A 49 -4.088 -2.715 1.962 1.00 0.00 C ATOM 218 C ALA A 49 -3.754 -3.783 0.922 1.00 0.00 C ATOM 219 O ALA A 49 -2.779 -3.654 0.179 1.00 0.00 O ATOM 220 CB ALA A 49 -3.823 -3.244 3.362 1.00 0.00 C ATOM 0 H ALA A 49 -6.053 -2.487 2.653 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.443 -1.856 1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.787 -3.575 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.004 -2.453 4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.488 -4.084 3.566 1.00 0.00 H new ATOM 226 N ILE A 50 -4.569 -4.834 0.863 1.00 0.00 N ATOM 227 CA ILE A 50 -4.338 -5.918 -0.086 1.00 0.00 C ATOM 228 C ILE A 50 -4.577 -5.433 -1.512 1.00 0.00 C ATOM 229 O ILE A 50 -3.968 -5.927 -2.458 1.00 0.00 O ATOM 230 CB ILE A 50 -5.223 -7.156 0.212 1.00 0.00 C ATOM 231 CG1 ILE A 50 -4.801 -8.337 -0.669 1.00 0.00 C ATOM 232 CG2 ILE A 50 -6.698 -6.837 0.007 1.00 0.00 C ATOM 233 CD1 ILE A 50 -5.576 -9.609 -0.398 1.00 0.00 C ATOM 0 H ILE A 50 -5.389 -4.957 1.457 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.298 -6.226 0.023 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.081 -7.431 1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.928 -8.061 -1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.739 -8.530 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.295 -7.723 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.992 -6.029 0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.864 -6.531 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.221 -10.399 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.429 -9.911 0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.637 -9.434 -0.578 1.00 0.00 H new ATOM 245 N LEU A 51 -5.457 -4.450 -1.652 1.00 0.00 N ATOM 246 CA LEU A 51 -5.722 -3.834 -2.941 1.00 0.00 C ATOM 247 C LEU A 51 -4.462 -3.164 -3.468 1.00 0.00 C ATOM 248 O LEU A 51 -4.023 -3.435 -4.584 1.00 0.00 O ATOM 249 CB LEU A 51 -6.831 -2.794 -2.809 1.00 0.00 C ATOM 250 CG LEU A 51 -7.276 -2.152 -4.117 1.00 0.00 C ATOM 251 CD1 LEU A 51 -8.246 -3.061 -4.858 1.00 0.00 C ATOM 252 CD2 LEU A 51 -7.895 -0.797 -3.845 1.00 0.00 C ATOM 0 H LEU A 51 -6.001 -4.062 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.038 -4.610 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.695 -3.265 -2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.492 -2.008 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.404 -2.009 -4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.552 -2.584 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.758 -4.010 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.124 -3.240 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.210 -0.345 -4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.760 -0.916 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.161 -0.152 -3.361 1.00 0.00 H new ATOM 264 N ALA A 52 -3.882 -2.295 -2.645 1.00 0.00 N ATOM 265 CA ALA A 52 -2.658 -1.591 -3.001 1.00 0.00 C ATOM 266 C ALA A 52 -1.571 -2.579 -3.397 1.00 0.00 C ATOM 267 O ALA A 52 -0.832 -2.358 -4.358 1.00 0.00 O ATOM 268 CB ALA A 52 -2.195 -0.727 -1.844 1.00 0.00 C ATOM 0 H ALA A 52 -4.245 -2.062 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.863 -0.947 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.279 -0.206 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.968 0.002 -1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.004 -1.355 -0.974 1.00 0.00 H new ATOM 274 N PHE A 53 -1.491 -3.674 -2.651 1.00 0.00 N ATOM 275 CA PHE A 53 -0.600 -4.771 -2.988 1.00 0.00 C ATOM 276 C PHE A 53 -0.928 -5.295 -4.385 1.00 0.00 C ATOM 277 O PHE A 53 -0.087 -5.266 -5.277 1.00 0.00 O ATOM 278 CB PHE A 53 -0.733 -5.887 -1.945 1.00 0.00 C ATOM 279 CG PHE A 53 0.070 -7.122 -2.251 1.00 0.00 C ATOM 280 CD1 PHE A 53 1.446 -7.129 -2.093 1.00 0.00 C ATOM 281 CD2 PHE A 53 -0.557 -8.278 -2.688 1.00 0.00 C ATOM 282 CE1 PHE A 53 2.182 -8.267 -2.368 1.00 0.00 C ATOM 283 CE2 PHE A 53 0.174 -9.417 -2.965 1.00 0.00 C ATOM 284 CZ PHE A 53 1.545 -9.411 -2.805 1.00 0.00 C ATOM 0 H PHE A 53 -2.038 -3.824 -1.803 1.00 0.00 H new ATOM 0 HA PHE A 53 0.430 -4.415 -2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.425 -5.499 -0.974 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.784 -6.164 -1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.949 -6.237 -1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.630 -8.289 -2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.254 -8.261 -2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.327 -10.311 -3.306 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.119 -10.300 -3.021 1.00 0.00 H new ATOM 294 N LEU A 54 -2.172 -5.715 -4.574 1.00 0.00 N ATOM 295 CA LEU A 54 -2.629 -6.289 -5.843 1.00 0.00 C ATOM 296 C LEU A 54 -2.738 -5.241 -6.954 1.00 0.00 C ATOM 297 O LEU A 54 -3.275 -5.517 -8.025 1.00 0.00 O ATOM 298 CB LEU A 54 -3.988 -6.972 -5.653 1.00 0.00 C ATOM 299 CG LEU A 54 -3.996 -8.174 -4.704 1.00 0.00 C ATOM 300 CD1 LEU A 54 -5.418 -8.675 -4.494 1.00 0.00 C ATOM 301 CD2 LEU A 54 -3.115 -9.291 -5.246 1.00 0.00 C ATOM 0 H LEU A 54 -2.895 -5.670 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.880 -7.020 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.697 -6.233 -5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.350 -7.299 -6.628 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.594 -7.855 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.407 -9.529 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.024 -7.879 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.843 -8.976 -5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.134 -10.136 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.488 -9.608 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.092 -8.930 -5.349 1.00 0.00 H new ATOM 313 N ARG A 55 -2.281 -4.026 -6.694 1.00 0.00 N ATOM 314 CA ARG A 55 -2.200 -3.023 -7.745 1.00 0.00 C ATOM 315 C ARG A 55 -0.759 -2.686 -8.086 1.00 0.00 C ATOM 316 O ARG A 55 -0.388 -2.635 -9.259 1.00 0.00 O ATOM 317 CB ARG A 55 -2.964 -1.759 -7.359 1.00 0.00 C ATOM 318 CG ARG A 55 -4.451 -1.997 -7.186 1.00 0.00 C ATOM 319 CD ARG A 55 -5.027 -2.781 -8.354 1.00 0.00 C ATOM 320 NE ARG A 55 -4.761 -2.141 -9.638 1.00 0.00 N ATOM 321 CZ ARG A 55 -4.240 -2.777 -10.690 1.00 0.00 C ATOM 322 NH1 ARG A 55 -3.864 -4.051 -10.590 1.00 0.00 N ATOM 323 NH2 ARG A 55 -4.070 -2.132 -11.835 1.00 0.00 N ATOM 0 H ARG A 55 -1.964 -3.713 -5.776 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.665 -3.450 -8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.554 -1.363 -6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.810 -0.999 -8.125 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.628 -2.541 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.966 -1.041 -7.098 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.604 -3.786 -8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.103 -2.888 -8.221 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.986 -1.151 -9.738 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.973 -4.547 -9.706 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.467 -4.530 -11.398 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.337 -1.151 -11.912 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.672 -2.617 -12.639 1.00 0.00 H new ATOM 337 N PHE A 56 0.062 -2.471 -7.069 1.00 0.00 N ATOM 338 CA PHE A 56 1.450 -2.101 -7.297 1.00 0.00 C ATOM 339 C PHE A 56 2.281 -3.330 -7.649 1.00 0.00 C ATOM 340 O PHE A 56 3.393 -3.215 -8.161 1.00 0.00 O ATOM 341 CB PHE A 56 2.027 -1.385 -6.077 1.00 0.00 C ATOM 342 CG PHE A 56 3.101 -0.394 -6.430 1.00 0.00 C ATOM 343 CD1 PHE A 56 2.762 0.864 -6.901 1.00 0.00 C ATOM 344 CD2 PHE A 56 4.441 -0.716 -6.298 1.00 0.00 C ATOM 345 CE1 PHE A 56 3.738 1.782 -7.233 1.00 0.00 C ATOM 346 CE2 PHE A 56 5.421 0.199 -6.628 1.00 0.00 C ATOM 347 CZ PHE A 56 5.070 1.449 -7.097 1.00 0.00 C ATOM 0 H PHE A 56 -0.205 -2.545 -6.087 1.00 0.00 H new ATOM 0 HA PHE A 56 1.487 -1.412 -8.141 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.223 -0.869 -5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.435 -2.125 -5.388 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.721 1.130 -7.010 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.723 -1.693 -5.933 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.459 2.759 -7.599 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.463 -0.063 -6.519 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.836 2.164 -7.357 1.00 0.00 H new ATOM 357 N THR A 57 1.735 -4.510 -7.380 1.00 0.00 N ATOM 358 CA THR A 57 2.383 -5.750 -7.791 1.00 0.00 C ATOM 359 C THR A 57 1.755 -6.257 -9.084 1.00 0.00 C ATOM 360 O THR A 57 2.109 -7.328 -9.581 1.00 0.00 O ATOM 361 CB THR A 57 2.284 -6.854 -6.710 1.00 0.00 C ATOM 362 OG1 THR A 57 0.926 -7.279 -6.547 1.00 0.00 O ATOM 363 CG2 THR A 57 2.812 -6.360 -5.373 1.00 0.00 C ATOM 0 H THR A 57 0.853 -4.635 -6.883 1.00 0.00 H new ATOM 0 HA THR A 57 3.439 -5.526 -7.942 1.00 0.00 H new ATOM 0 HB THR A 57 2.892 -7.694 -7.045 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.375 -6.516 -6.275 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.730 -7.156 -4.633 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.857 -6.070 -5.479 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.228 -5.500 -5.047 1.00 0.00 H new ATOM 371 N ALA A 58 0.853 -5.439 -9.632 1.00 0.00 N ATOM 372 CA ALA A 58 0.022 -5.813 -10.775 1.00 0.00 C ATOM 373 C ALA A 58 -0.935 -6.934 -10.388 1.00 0.00 C ATOM 374 O ALA A 58 -1.226 -7.111 -9.205 1.00 0.00 O ATOM 375 CB ALA A 58 0.871 -6.202 -11.977 1.00 0.00 C ATOM 0 H ALA A 58 0.679 -4.493 -9.292 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.567 -4.943 -11.066 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.221 -6.474 -12.809 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.498 -5.359 -12.267 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.502 -7.052 -11.717 1.00 0.00 H new ATOM 381 N ILE A 59 -1.423 -7.676 -11.387 1.00 0.00 N ATOM 382 CA ILE A 59 -2.411 -8.736 -11.174 1.00 0.00 C ATOM 383 C ILE A 59 -3.796 -8.127 -10.956 1.00 0.00 C ATOM 384 O ILE A 59 -3.936 -7.076 -10.334 1.00 0.00 O ATOM 385 CB ILE A 59 -2.038 -9.655 -9.977 1.00 0.00 C ATOM 386 CG1 ILE A 59 -0.693 -10.344 -10.232 1.00 0.00 C ATOM 387 CG2 ILE A 59 -3.126 -10.692 -9.723 1.00 0.00 C ATOM 388 CD1 ILE A 59 -0.208 -11.185 -9.070 1.00 0.00 C ATOM 0 H ILE A 59 -1.145 -7.559 -12.361 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.421 -9.356 -12.070 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.950 -9.032 -9.087 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.781 -10.977 -11.115 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.057 -9.585 -10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.839 -11.321 -8.881 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.064 -10.186 -9.495 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.253 -11.311 -10.611 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.749 -11.640 -9.325 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.086 -10.554 -8.190 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.937 -11.967 -8.858 1.00 0.00 H new ATOM 400 N LYS A 60 -4.815 -8.766 -11.509 1.00 0.00 N ATOM 401 CA LYS A 60 -6.178 -8.294 -11.341 1.00 0.00 C ATOM 402 C LYS A 60 -6.714 -8.713 -9.977 1.00 0.00 C ATOM 403 O LYS A 60 -6.812 -9.908 -9.686 1.00 0.00 O ATOM 404 CB LYS A 60 -7.080 -8.845 -12.449 1.00 0.00 C ATOM 405 CG LYS A 60 -8.516 -8.353 -12.360 1.00 0.00 C ATOM 406 CD LYS A 60 -9.372 -8.917 -13.480 1.00 0.00 C ATOM 407 CE LYS A 60 -10.817 -8.459 -13.364 1.00 0.00 C ATOM 408 NZ LYS A 60 -10.953 -6.983 -13.490 1.00 0.00 N ATOM 0 H LYS A 60 -4.724 -9.609 -12.076 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.176 -7.206 -11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.667 -8.563 -13.417 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.074 -9.934 -12.404 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.940 -8.640 -11.398 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.531 -7.264 -12.403 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.966 -8.604 -14.442 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.332 -10.006 -13.457 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.413 -8.944 -14.137 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.221 -8.778 -12.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.960 -6.732 -13.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.537 -6.523 -12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.457 -6.660 -14.346 1.00 0.00 H new ATOM 422 N PRO A 61 -7.049 -7.740 -9.116 1.00 0.00 N ATOM 423 CA PRO A 61 -7.631 -8.021 -7.806 1.00 0.00 C ATOM 424 C PRO A 61 -8.949 -8.768 -7.939 1.00 0.00 C ATOM 425 O PRO A 61 -9.866 -8.309 -8.625 1.00 0.00 O ATOM 426 CB PRO A 61 -7.860 -6.636 -7.192 1.00 0.00 C ATOM 427 CG PRO A 61 -6.981 -5.715 -7.966 1.00 0.00 C ATOM 428 CD PRO A 61 -6.881 -6.296 -9.347 1.00 0.00 C ATOM 0 HA PRO A 61 -6.986 -8.653 -7.196 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.906 -6.339 -7.269 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.603 -6.628 -6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.401 -4.709 -7.996 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.997 -5.636 -7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.653 -5.901 -10.007 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.920 -6.071 -9.810 1.00 0.00 H new ATOM 436 N SER A 62 -9.023 -9.927 -7.301 1.00 0.00 N ATOM 437 CA SER A 62 -10.208 -10.768 -7.350 1.00 0.00 C ATOM 438 C SER A 62 -11.441 -10.005 -6.865 1.00 0.00 C ATOM 439 O SER A 62 -11.354 -9.145 -5.982 1.00 0.00 O ATOM 440 CB SER A 62 -9.972 -12.012 -6.498 1.00 0.00 C ATOM 441 OG SER A 62 -8.734 -12.621 -6.834 1.00 0.00 O ATOM 0 H SER A 62 -8.265 -10.309 -6.736 1.00 0.00 H new ATOM 0 HA SER A 62 -10.393 -11.066 -8.382 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.976 -11.742 -5.442 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.785 -12.722 -6.648 1.00 0.00 H new ATOM 0 HG SER A 62 -8.599 -13.416 -6.277 1.00 0.00 H new ATOM 447 N LEU A 63 -12.587 -10.335 -7.458 1.00 0.00 N ATOM 448 CA LEU A 63 -13.824 -9.584 -7.254 1.00 0.00 C ATOM 449 C LEU A 63 -14.278 -9.592 -5.803 1.00 0.00 C ATOM 450 O LEU A 63 -15.031 -8.717 -5.394 1.00 0.00 O ATOM 451 CB LEU A 63 -14.938 -10.125 -8.146 1.00 0.00 C ATOM 452 CG LEU A 63 -14.699 -9.972 -9.650 1.00 0.00 C ATOM 453 CD1 LEU A 63 -15.870 -10.537 -10.434 1.00 0.00 C ATOM 454 CD2 LEU A 63 -14.473 -8.511 -10.011 1.00 0.00 C ATOM 0 H LEU A 63 -12.684 -11.128 -8.092 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.609 -8.551 -7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.080 -11.182 -7.922 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -15.867 -9.617 -7.888 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.803 -10.533 -9.914 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -15.683 -10.420 -11.502 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.988 -11.595 -10.200 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -16.781 -10.002 -10.164 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.305 -8.423 -11.084 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -15.350 -7.927 -9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.602 -8.134 -9.475 1.00 0.00 H new ATOM 466 N GLY A 64 -13.829 -10.574 -5.031 1.00 0.00 N ATOM 467 CA GLY A 64 -14.122 -10.578 -3.610 1.00 0.00 C ATOM 468 C GLY A 64 -13.570 -9.337 -2.934 1.00 0.00 C ATOM 469 O GLY A 64 -14.256 -8.680 -2.144 1.00 0.00 O ATOM 0 H GLY A 64 -13.271 -11.362 -5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -15.200 -10.629 -3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.693 -11.468 -3.150 1.00 0.00 H new ATOM 473 N LEU A 65 -12.336 -8.995 -3.284 1.00 0.00 N ATOM 474 CA LEU A 65 -11.691 -7.803 -2.759 1.00 0.00 C ATOM 475 C LEU A 65 -12.362 -6.560 -3.323 1.00 0.00 C ATOM 476 O LEU A 65 -12.583 -5.594 -2.605 1.00 0.00 O ATOM 477 CB LEU A 65 -10.192 -7.781 -3.098 1.00 0.00 C ATOM 478 CG LEU A 65 -9.327 -8.863 -2.432 1.00 0.00 C ATOM 479 CD1 LEU A 65 -9.618 -8.950 -0.941 1.00 0.00 C ATOM 480 CD2 LEU A 65 -9.523 -10.217 -3.101 1.00 0.00 C ATOM 0 H LEU A 65 -11.761 -9.532 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.794 -7.816 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.084 -7.874 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.793 -6.805 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.283 -8.576 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.993 -9.723 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.401 -7.991 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.668 -9.199 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.898 -10.961 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.569 -10.513 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.243 -10.148 -4.152 1.00 0.00 H new ATOM 492 N ILE A 66 -12.698 -6.604 -4.609 1.00 0.00 N ATOM 493 CA ILE A 66 -13.362 -5.484 -5.278 1.00 0.00 C ATOM 494 C ILE A 66 -14.742 -5.226 -4.671 1.00 0.00 C ATOM 495 O ILE A 66 -15.194 -4.080 -4.568 1.00 0.00 O ATOM 496 CB ILE A 66 -13.507 -5.748 -6.794 1.00 0.00 C ATOM 497 CG1 ILE A 66 -12.133 -5.987 -7.423 1.00 0.00 C ATOM 498 CG2 ILE A 66 -14.216 -4.592 -7.490 1.00 0.00 C ATOM 499 CD1 ILE A 66 -11.200 -4.796 -7.331 1.00 0.00 C ATOM 0 H ILE A 66 -12.521 -7.407 -5.213 1.00 0.00 H new ATOM 0 HA ILE A 66 -12.738 -4.602 -5.132 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.116 -6.642 -6.925 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.665 -6.842 -6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.266 -6.252 -8.472 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.303 -4.807 -8.555 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -15.211 -4.465 -7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -13.642 -3.676 -7.350 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -10.247 -5.043 -7.799 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.646 -3.944 -7.844 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.035 -4.543 -6.284 1.00 0.00 H new ATOM 511 N ASN A 67 -15.403 -6.298 -4.265 1.00 0.00 N ATOM 512 CA ASN A 67 -16.700 -6.199 -3.615 1.00 0.00 C ATOM 513 C ASN A 67 -16.578 -5.529 -2.254 1.00 0.00 C ATOM 514 O ASN A 67 -17.404 -4.690 -1.897 1.00 0.00 O ATOM 515 CB ASN A 67 -17.341 -7.581 -3.480 1.00 0.00 C ATOM 516 CG ASN A 67 -18.331 -7.867 -4.594 1.00 0.00 C ATOM 517 OD1 ASN A 67 -17.962 -8.349 -5.665 1.00 0.00 O ATOM 518 ND2 ASN A 67 -19.599 -7.579 -4.346 1.00 0.00 N ATOM 0 H ASN A 67 -15.060 -7.252 -4.375 1.00 0.00 H new ATOM 0 HA ASN A 67 -17.344 -5.580 -4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -16.561 -8.343 -3.485 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -17.849 -7.651 -2.518 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -20.310 -7.756 -5.055 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -19.865 -7.180 -3.446 1.00 0.00 H new ATOM 525 N ARG A 68 -15.533 -5.868 -1.502 1.00 0.00 N ATOM 526 CA ARG A 68 -15.313 -5.246 -0.200 1.00 0.00 C ATOM 527 C ARG A 68 -14.790 -3.832 -0.388 1.00 0.00 C ATOM 528 O ARG A 68 -15.059 -2.941 0.416 1.00 0.00 O ATOM 529 CB ARG A 68 -14.334 -6.056 0.650 1.00 0.00 C ATOM 530 CG ARG A 68 -14.858 -7.420 1.058 1.00 0.00 C ATOM 531 CD ARG A 68 -13.956 -8.076 2.091 1.00 0.00 C ATOM 532 NE ARG A 68 -14.490 -9.362 2.532 1.00 0.00 N ATOM 533 CZ ARG A 68 -14.510 -9.774 3.798 1.00 0.00 C ATOM 534 NH1 ARG A 68 -13.951 -9.041 4.755 1.00 0.00 N ATOM 535 NH2 ARG A 68 -15.077 -10.935 4.104 1.00 0.00 N ATOM 0 H ARG A 68 -14.834 -6.561 -1.768 1.00 0.00 H new ATOM 0 HA ARG A 68 -16.267 -5.217 0.326 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -13.406 -6.186 0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.091 -5.488 1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -15.864 -7.318 1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -14.932 -8.060 0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.962 -8.220 1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.844 -7.414 2.950 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.873 -9.986 1.822 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.502 -8.155 4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.971 -9.364 5.722 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.495 -11.507 3.371 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.095 -11.254 5.073 1.00 0.00 H new ATOM 549 N TRP A 69 -14.049 -3.656 -1.468 1.00 0.00 N ATOM 550 CA TRP A 69 -13.519 -2.367 -1.883 1.00 0.00 C ATOM 551 C TRP A 69 -14.637 -1.330 -1.973 1.00 0.00 C ATOM 552 O TRP A 69 -14.597 -0.296 -1.308 1.00 0.00 O ATOM 553 CB TRP A 69 -12.829 -2.569 -3.234 1.00 0.00 C ATOM 554 CG TRP A 69 -12.252 -1.350 -3.876 1.00 0.00 C ATOM 555 CD1 TRP A 69 -11.204 -0.600 -3.439 1.00 0.00 C ATOM 556 CD2 TRP A 69 -12.670 -0.774 -5.112 1.00 0.00 C ATOM 557 NE1 TRP A 69 -10.940 0.407 -4.337 1.00 0.00 N ATOM 558 CE2 TRP A 69 -11.833 0.322 -5.370 1.00 0.00 C ATOM 559 CE3 TRP A 69 -13.676 -1.081 -6.023 1.00 0.00 C ATOM 560 CZ2 TRP A 69 -11.969 1.108 -6.506 1.00 0.00 C ATOM 561 CZ3 TRP A 69 -13.814 -0.302 -7.150 1.00 0.00 C ATOM 562 CH2 TRP A 69 -12.963 0.780 -7.385 1.00 0.00 C ATOM 0 H TRP A 69 -13.793 -4.420 -2.094 1.00 0.00 H new ATOM 0 HA TRP A 69 -12.802 -1.990 -1.154 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -12.028 -3.297 -3.103 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -13.550 -3.009 -3.923 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -10.660 -0.771 -2.522 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -10.200 1.103 -4.248 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -14.338 -1.917 -5.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -11.314 1.947 -6.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -14.592 -0.531 -7.863 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -13.093 1.370 -8.280 1.00 0.00 H new ATOM 573 N GLY A 70 -15.651 -1.635 -2.771 1.00 0.00 N ATOM 574 CA GLY A 70 -16.794 -0.752 -2.900 1.00 0.00 C ATOM 575 C GLY A 70 -17.717 -0.788 -1.693 1.00 0.00 C ATOM 576 O GLY A 70 -18.681 -0.025 -1.623 1.00 0.00 O ATOM 0 H GLY A 70 -15.703 -2.483 -3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.442 0.269 -3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.359 -1.028 -3.790 1.00 0.00 H new ATOM 580 N SER A 71 -17.433 -1.672 -0.743 1.00 0.00 N ATOM 581 CA SER A 71 -18.219 -1.752 0.483 1.00 0.00 C ATOM 582 C SER A 71 -17.723 -0.735 1.504 1.00 0.00 C ATOM 583 O SER A 71 -18.421 -0.419 2.472 1.00 0.00 O ATOM 584 CB SER A 71 -18.168 -3.162 1.074 1.00 0.00 C ATOM 585 OG SER A 71 -18.816 -4.098 0.225 1.00 0.00 O ATOM 0 H SER A 71 -16.666 -2.342 -0.798 1.00 0.00 H new ATOM 0 HA SER A 71 -19.255 -1.522 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.130 -3.460 1.223 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.644 -3.166 2.054 1.00 0.00 H new ATOM 0 HG SER A 71 -18.159 -4.499 -0.382 1.00 0.00 H new ATOM 591 N VAL A 72 -16.514 -0.231 1.291 1.00 0.00 N ATOM 592 CA VAL A 72 -15.978 0.823 2.134 1.00 0.00 C ATOM 593 C VAL A 72 -16.727 2.118 1.833 1.00 0.00 C ATOM 594 O VAL A 72 -16.836 2.519 0.673 1.00 0.00 O ATOM 595 CB VAL A 72 -14.463 1.026 1.910 1.00 0.00 C ATOM 596 CG1 VAL A 72 -13.880 1.937 2.979 1.00 0.00 C ATOM 597 CG2 VAL A 72 -13.733 -0.312 1.886 1.00 0.00 C ATOM 0 H VAL A 72 -15.890 -0.536 0.544 1.00 0.00 H new ATOM 0 HA VAL A 72 -16.114 0.536 3.177 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.325 1.504 0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.812 2.067 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.375 2.907 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.034 1.490 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -12.668 -0.143 1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -13.881 -0.824 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.127 -0.927 1.077 1.00 0.00 H new ATOM 607 N GLY A 73 -17.244 2.763 2.872 1.00 0.00 N ATOM 608 CA GLY A 73 -18.144 3.894 2.688 1.00 0.00 C ATOM 609 C GLY A 73 -17.450 5.195 2.316 1.00 0.00 C ATOM 610 O GLY A 73 -17.797 6.239 2.860 1.00 0.00 O ATOM 0 H GLY A 73 -17.057 2.524 3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.865 3.646 1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -18.708 4.047 3.608 1.00 0.00 H new ATOM 614 N LYS A 74 -16.502 5.107 1.371 1.00 0.00 N ATOM 615 CA LYS A 74 -15.727 6.240 0.806 1.00 0.00 C ATOM 616 C LYS A 74 -15.090 7.184 1.842 1.00 0.00 C ATOM 617 O LYS A 74 -13.872 7.330 1.857 1.00 0.00 O ATOM 618 CB LYS A 74 -16.525 7.024 -0.252 1.00 0.00 C ATOM 619 CG LYS A 74 -17.873 7.566 0.195 1.00 0.00 C ATOM 620 CD LYS A 74 -18.477 8.469 -0.866 1.00 0.00 C ATOM 621 CE LYS A 74 -17.548 9.629 -1.176 1.00 0.00 C ATOM 622 NZ LYS A 74 -18.222 10.716 -1.936 1.00 0.00 N ATOM 0 H LYS A 74 -16.238 4.212 0.958 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.884 5.757 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -15.914 7.860 -0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.684 6.375 -1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -18.551 6.738 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -17.755 8.121 1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -18.666 7.896 -1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -19.439 8.849 -0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.154 10.033 -0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.696 9.264 -1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.544 11.482 -2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.575 10.341 -2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.019 11.086 -1.380 1.00 0.00 H new ATOM 636 N LYS A 75 -15.889 7.829 2.681 1.00 0.00 N ATOM 637 CA LYS A 75 -15.370 8.705 3.728 1.00 0.00 C ATOM 638 C LYS A 75 -14.370 7.943 4.588 1.00 0.00 C ATOM 639 O LYS A 75 -13.242 8.387 4.808 1.00 0.00 O ATOM 640 CB LYS A 75 -16.530 9.229 4.583 1.00 0.00 C ATOM 641 CG LYS A 75 -16.113 10.268 5.607 1.00 0.00 C ATOM 642 CD LYS A 75 -15.541 9.642 6.865 1.00 0.00 C ATOM 643 CE LYS A 75 -15.033 10.698 7.830 1.00 0.00 C ATOM 644 NZ LYS A 75 -16.125 11.585 8.309 1.00 0.00 N ATOM 0 H LYS A 75 -16.907 7.762 2.658 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.860 9.555 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -17.286 9.661 3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -16.997 8.390 5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.371 10.932 5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.974 10.882 5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.307 9.039 7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.726 8.968 6.599 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.560 10.212 8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.267 11.298 7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.769 12.190 9.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.458 12.181 7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.913 11.006 8.662 1.00 0.00 H new ATOM 658 N GLU A 76 -14.817 6.802 5.077 1.00 0.00 N ATOM 659 CA GLU A 76 -13.965 5.870 5.808 1.00 0.00 C ATOM 660 C GLU A 76 -12.686 5.567 5.025 1.00 0.00 C ATOM 661 O GLU A 76 -11.590 5.567 5.585 1.00 0.00 O ATOM 662 CB GLU A 76 -14.730 4.573 6.068 1.00 0.00 C ATOM 663 CG GLU A 76 -13.963 3.564 6.904 1.00 0.00 C ATOM 664 CD GLU A 76 -13.747 4.021 8.330 1.00 0.00 C ATOM 665 OE1 GLU A 76 -14.739 4.114 9.084 1.00 0.00 O ATOM 666 OE2 GLU A 76 -12.586 4.265 8.714 1.00 0.00 O ATOM 0 H GLU A 76 -15.783 6.490 4.981 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.685 6.329 6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.667 4.810 6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.988 4.117 5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.505 2.618 6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.996 3.375 6.438 1.00 0.00 H new ATOM 673 N ALA A 77 -12.833 5.327 3.722 1.00 0.00 N ATOM 674 CA ALA A 77 -11.693 5.029 2.860 1.00 0.00 C ATOM 675 C ALA A 77 -10.716 6.196 2.836 1.00 0.00 C ATOM 676 O ALA A 77 -9.507 5.997 2.804 1.00 0.00 O ATOM 677 CB ALA A 77 -12.154 4.697 1.447 1.00 0.00 C ATOM 0 H ALA A 77 -13.733 5.334 3.241 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.182 4.158 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.287 4.479 0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.810 3.827 1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.695 5.547 1.032 1.00 0.00 H new ATOM 683 N MET A 78 -11.251 7.413 2.861 1.00 0.00 N ATOM 684 CA MET A 78 -10.425 8.614 2.895 1.00 0.00 C ATOM 685 C MET A 78 -9.541 8.611 4.131 1.00 0.00 C ATOM 686 O MET A 78 -8.353 8.920 4.050 1.00 0.00 O ATOM 687 CB MET A 78 -11.293 9.875 2.879 1.00 0.00 C ATOM 688 CG MET A 78 -12.059 10.071 1.583 1.00 0.00 C ATOM 689 SD MET A 78 -13.102 11.541 1.607 1.00 0.00 S ATOM 690 CE MET A 78 -13.740 11.511 -0.066 1.00 0.00 C ATOM 0 H MET A 78 -12.255 7.593 2.858 1.00 0.00 H new ATOM 0 HA MET A 78 -9.795 8.616 2.005 1.00 0.00 H new ATOM 0 HB2 MET A 78 -12.001 9.829 3.706 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.659 10.745 3.051 1.00 0.00 H new ATOM 0 HG2 MET A 78 -11.353 10.145 0.756 1.00 0.00 H new ATOM 0 HG3 MET A 78 -12.679 9.194 1.396 1.00 0.00 H new ATOM 0 HE1 MET A 78 -14.135 12.494 -0.323 1.00 0.00 H new ATOM 0 HE2 MET A 78 -12.938 11.250 -0.757 1.00 0.00 H new ATOM 0 HE3 MET A 78 -14.536 10.770 -0.139 1.00 0.00 H new ATOM 700 N GLU A 79 -10.125 8.248 5.268 1.00 0.00 N ATOM 701 CA GLU A 79 -9.375 8.139 6.514 1.00 0.00 C ATOM 702 C GLU A 79 -8.350 7.015 6.429 1.00 0.00 C ATOM 703 O GLU A 79 -7.208 7.165 6.869 1.00 0.00 O ATOM 704 CB GLU A 79 -10.311 7.884 7.693 1.00 0.00 C ATOM 705 CG GLU A 79 -11.245 9.040 7.992 1.00 0.00 C ATOM 706 CD GLU A 79 -11.988 8.854 9.297 1.00 0.00 C ATOM 707 OE1 GLU A 79 -11.432 9.219 10.358 1.00 0.00 O ATOM 708 OE2 GLU A 79 -13.124 8.340 9.277 1.00 0.00 O ATOM 0 H GLU A 79 -11.117 8.024 5.352 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.857 9.085 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.904 6.993 7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.714 7.672 8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.672 9.966 8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.963 9.144 7.179 1.00 0.00 H new ATOM 715 N ILE A 80 -8.775 5.891 5.863 1.00 0.00 N ATOM 716 CA ILE A 80 -7.909 4.731 5.689 1.00 0.00 C ATOM 717 C ILE A 80 -6.702 5.081 4.823 1.00 0.00 C ATOM 718 O ILE A 80 -5.557 4.893 5.233 1.00 0.00 O ATOM 719 CB ILE A 80 -8.683 3.553 5.049 1.00 0.00 C ATOM 720 CG1 ILE A 80 -9.764 3.049 6.009 1.00 0.00 C ATOM 721 CG2 ILE A 80 -7.738 2.421 4.662 1.00 0.00 C ATOM 722 CD1 ILE A 80 -10.665 1.989 5.415 1.00 0.00 C ATOM 0 H ILE A 80 -9.724 5.758 5.514 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.561 4.428 6.677 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.162 3.913 4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.285 2.646 6.901 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.375 3.893 6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.309 1.607 4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.006 2.788 3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.223 2.057 5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.404 1.683 6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.174 2.393 4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.067 1.126 5.121 1.00 0.00 H new ATOM 734 N ILE A 81 -6.970 5.617 3.641 1.00 0.00 N ATOM 735 CA ILE A 81 -5.917 5.957 2.691 1.00 0.00 C ATOM 736 C ILE A 81 -5.033 7.088 3.221 1.00 0.00 C ATOM 737 O ILE A 81 -3.821 7.091 3.003 1.00 0.00 O ATOM 738 CB ILE A 81 -6.510 6.351 1.316 1.00 0.00 C ATOM 739 CG1 ILE A 81 -7.288 5.175 0.711 1.00 0.00 C ATOM 740 CG2 ILE A 81 -5.417 6.807 0.360 1.00 0.00 C ATOM 741 CD1 ILE A 81 -6.442 3.942 0.460 1.00 0.00 C ATOM 0 H ILE A 81 -7.913 5.827 3.314 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.300 5.068 2.563 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.196 7.184 1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -8.107 4.911 1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.736 5.494 -0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.861 7.078 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.904 7.672 0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.702 5.998 0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.063 3.155 0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.638 4.187 -0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.015 3.596 1.401 1.00 0.00 H new ATOM 753 N LYS A 82 -5.634 8.035 3.933 1.00 0.00 N ATOM 754 CA LYS A 82 -4.888 9.157 4.497 1.00 0.00 C ATOM 755 C LYS A 82 -3.854 8.663 5.505 1.00 0.00 C ATOM 756 O LYS A 82 -2.682 9.039 5.444 1.00 0.00 O ATOM 757 CB LYS A 82 -5.841 10.149 5.170 1.00 0.00 C ATOM 758 CG LYS A 82 -5.163 11.416 5.667 1.00 0.00 C ATOM 759 CD LYS A 82 -4.559 12.213 4.521 1.00 0.00 C ATOM 760 CE LYS A 82 -3.893 13.486 5.016 1.00 0.00 C ATOM 761 NZ LYS A 82 -4.863 14.407 5.661 1.00 0.00 N ATOM 0 H LYS A 82 -6.634 8.049 4.134 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.369 9.663 3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.624 10.422 4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.328 9.656 6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.888 12.033 6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.382 11.155 6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.827 11.599 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.338 12.465 3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.107 13.231 5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.413 13.993 4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.419 15.337 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.700 14.511 5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.150 14.019 6.582 1.00 0.00 H new ATOM 775 N LYS A 83 -4.292 7.807 6.419 1.00 0.00 N ATOM 776 CA LYS A 83 -3.409 7.253 7.438 1.00 0.00 C ATOM 777 C LYS A 83 -2.420 6.277 6.806 1.00 0.00 C ATOM 778 O LYS A 83 -1.303 6.091 7.297 1.00 0.00 O ATOM 779 CB LYS A 83 -4.236 6.559 8.522 1.00 0.00 C ATOM 780 CG LYS A 83 -3.419 6.064 9.705 1.00 0.00 C ATOM 781 CD LYS A 83 -4.315 5.531 10.813 1.00 0.00 C ATOM 782 CE LYS A 83 -5.130 4.332 10.355 1.00 0.00 C ATOM 783 NZ LYS A 83 -6.058 3.856 11.413 1.00 0.00 N ATOM 0 H LYS A 83 -5.257 7.480 6.476 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.843 8.063 7.898 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.996 7.252 8.884 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.761 5.713 8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.738 5.279 9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.805 6.878 10.091 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.704 5.249 11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.988 6.321 11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.700 4.599 9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.457 3.523 10.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.595 3.038 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.513 3.577 12.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.717 4.620 11.666 1.00 0.00 H new ATOM 797 N PHE A 84 -2.845 5.664 5.709 1.00 0.00 N ATOM 798 CA PHE A 84 -1.996 4.769 4.937 1.00 0.00 C ATOM 799 C PHE A 84 -0.828 5.549 4.333 1.00 0.00 C ATOM 800 O PHE A 84 0.332 5.177 4.504 1.00 0.00 O ATOM 801 CB PHE A 84 -2.836 4.098 3.844 1.00 0.00 C ATOM 802 CG PHE A 84 -2.143 2.999 3.090 1.00 0.00 C ATOM 803 CD1 PHE A 84 -2.213 2.949 1.710 1.00 0.00 C ATOM 804 CD2 PHE A 84 -1.439 2.010 3.758 1.00 0.00 C ATOM 805 CE1 PHE A 84 -1.595 1.934 1.007 1.00 0.00 C ATOM 806 CE2 PHE A 84 -0.817 0.993 3.060 1.00 0.00 C ATOM 807 CZ PHE A 84 -0.897 0.956 1.682 1.00 0.00 C ATOM 0 H PHE A 84 -3.786 5.773 5.331 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.583 3.997 5.586 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.739 3.691 4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.154 4.860 3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.758 3.713 1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.376 2.034 4.836 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.659 1.907 -0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.269 0.228 3.591 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.413 0.161 1.134 1.00 0.00 H new ATOM 817 N LYS A 85 -1.146 6.649 3.651 1.00 0.00 N ATOM 818 CA LYS A 85 -0.130 7.542 3.096 1.00 0.00 C ATOM 819 C LYS A 85 0.782 8.085 4.194 1.00 0.00 C ATOM 820 O LYS A 85 1.970 8.321 3.966 1.00 0.00 O ATOM 821 CB LYS A 85 -0.786 8.710 2.355 1.00 0.00 C ATOM 822 CG LYS A 85 -1.550 8.308 1.104 1.00 0.00 C ATOM 823 CD LYS A 85 -2.240 9.508 0.476 1.00 0.00 C ATOM 824 CE LYS A 85 -2.978 9.133 -0.799 1.00 0.00 C ATOM 825 NZ LYS A 85 -3.778 10.267 -1.326 1.00 0.00 N ATOM 0 H LYS A 85 -2.105 6.944 3.469 1.00 0.00 H new ATOM 0 HA LYS A 85 0.470 6.963 2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.469 9.219 3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.015 9.429 2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.865 7.860 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.291 7.548 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.943 9.937 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.500 10.278 0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.260 8.813 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.634 8.285 -0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.345 9.945 -2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.410 10.622 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.140 11.029 -1.632 1.00 0.00 H new ATOM 839 N LYS A 86 0.218 8.286 5.380 1.00 0.00 N ATOM 840 CA LYS A 86 0.977 8.781 6.523 1.00 0.00 C ATOM 841 C LYS A 86 2.046 7.774 6.941 1.00 0.00 C ATOM 842 O LYS A 86 3.199 8.141 7.181 1.00 0.00 O ATOM 843 CB LYS A 86 0.031 9.078 7.693 1.00 0.00 C ATOM 844 CG LYS A 86 0.736 9.466 8.985 1.00 0.00 C ATOM 845 CD LYS A 86 1.594 10.710 8.819 1.00 0.00 C ATOM 846 CE LYS A 86 2.309 11.066 10.114 1.00 0.00 C ATOM 847 NZ LYS A 86 3.190 9.963 10.588 1.00 0.00 N ATOM 0 H LYS A 86 -0.768 8.113 5.575 1.00 0.00 H new ATOM 0 HA LYS A 86 1.478 9.704 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.643 9.884 7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.585 8.198 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.006 9.640 9.764 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.361 8.638 9.319 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.327 10.546 8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.969 11.546 8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.905 11.966 9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.572 11.297 10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.841 10.326 11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.607 9.204 10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.737 9.588 9.787 1.00 0.00 H new ATOM 861 N ASP A 87 1.664 6.504 7.012 1.00 0.00 N ATOM 862 CA ASP A 87 2.598 5.450 7.390 1.00 0.00 C ATOM 863 C ASP A 87 3.641 5.257 6.297 1.00 0.00 C ATOM 864 O ASP A 87 4.817 5.014 6.576 1.00 0.00 O ATOM 865 CB ASP A 87 1.861 4.135 7.655 1.00 0.00 C ATOM 866 CG ASP A 87 2.783 3.058 8.196 1.00 0.00 C ATOM 867 OD1 ASP A 87 3.045 2.070 7.480 1.00 0.00 O ATOM 868 OD2 ASP A 87 3.258 3.201 9.344 1.00 0.00 O ATOM 0 H ASP A 87 0.717 6.180 6.814 1.00 0.00 H new ATOM 0 HA ASP A 87 3.099 5.751 8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.054 4.310 8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.401 3.786 6.730 1.00 0.00 H new ATOM 873 N LEU A 88 3.198 5.394 5.051 1.00 0.00 N ATOM 874 CA LEU A 88 4.086 5.300 3.899 1.00 0.00 C ATOM 875 C LEU A 88 5.134 6.407 3.933 1.00 0.00 C ATOM 876 O LEU A 88 6.306 6.170 3.648 1.00 0.00 O ATOM 877 CB LEU A 88 3.283 5.388 2.599 1.00 0.00 C ATOM 878 CG LEU A 88 2.271 4.262 2.380 1.00 0.00 C ATOM 879 CD1 LEU A 88 1.411 4.553 1.161 1.00 0.00 C ATOM 880 CD2 LEU A 88 2.983 2.926 2.225 1.00 0.00 C ATOM 0 H LEU A 88 2.222 5.572 4.813 1.00 0.00 H new ATOM 0 HA LEU A 88 4.594 4.336 3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.752 6.340 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.979 5.397 1.761 1.00 0.00 H new ATOM 0 HG LEU A 88 1.623 4.205 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.696 3.743 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.873 5.489 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.046 4.636 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.247 2.137 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.655 2.969 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.558 2.714 3.126 1.00 0.00 H new ATOM 892 N ALA A 89 4.699 7.613 4.285 1.00 0.00 N ATOM 893 CA ALA A 89 5.596 8.758 4.389 1.00 0.00 C ATOM 894 C ALA A 89 6.680 8.499 5.427 1.00 0.00 C ATOM 895 O ALA A 89 7.865 8.716 5.172 1.00 0.00 O ATOM 896 CB ALA A 89 4.812 10.011 4.745 1.00 0.00 C ATOM 0 H ALA A 89 3.725 7.823 4.504 1.00 0.00 H new ATOM 0 HA ALA A 89 6.076 8.908 3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.494 10.858 4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.071 10.209 3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.308 9.866 5.701 1.00 0.00 H new ATOM 902 N ALA A 90 6.265 8.018 6.591 1.00 0.00 N ATOM 903 CA ALA A 90 7.196 7.698 7.663 1.00 0.00 C ATOM 904 C ALA A 90 8.160 6.601 7.230 1.00 0.00 C ATOM 905 O ALA A 90 9.372 6.709 7.432 1.00 0.00 O ATOM 906 CB ALA A 90 6.438 7.272 8.910 1.00 0.00 C ATOM 0 H ALA A 90 5.286 7.841 6.817 1.00 0.00 H new ATOM 0 HA ALA A 90 7.775 8.592 7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.147 7.036 9.704 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.787 8.083 9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.836 6.391 8.687 1.00 0.00 H new ATOM 912 N MET A 91 7.613 5.562 6.610 1.00 0.00 N ATOM 913 CA MET A 91 8.398 4.409 6.189 1.00 0.00 C ATOM 914 C MET A 91 9.419 4.815 5.128 1.00 0.00 C ATOM 915 O MET A 91 10.557 4.347 5.136 1.00 0.00 O ATOM 916 CB MET A 91 7.473 3.319 5.646 1.00 0.00 C ATOM 917 CG MET A 91 8.033 1.914 5.786 1.00 0.00 C ATOM 918 SD MET A 91 8.257 1.427 7.511 1.00 0.00 S ATOM 919 CE MET A 91 8.753 -0.285 7.326 1.00 0.00 C ATOM 0 H MET A 91 6.620 5.495 6.386 1.00 0.00 H new ATOM 0 HA MET A 91 8.937 4.018 7.052 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.518 3.373 6.168 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.273 3.517 4.593 1.00 0.00 H new ATOM 0 HG2 MET A 91 7.361 1.208 5.297 1.00 0.00 H new ATOM 0 HG3 MET A 91 8.990 1.855 5.268 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.291 -0.606 8.218 1.00 0.00 H new ATOM 0 HE2 MET A 91 7.868 -0.908 7.192 1.00 0.00 H new ATOM 0 HE3 MET A 91 9.402 -0.384 6.456 1.00 0.00 H new ATOM 929 N LEU A 92 9.000 5.699 4.226 1.00 0.00 N ATOM 930 CA LEU A 92 9.883 6.252 3.201 1.00 0.00 C ATOM 931 C LEU A 92 11.055 6.990 3.843 1.00 0.00 C ATOM 932 O LEU A 92 12.193 6.896 3.387 1.00 0.00 O ATOM 933 CB LEU A 92 9.095 7.208 2.299 1.00 0.00 C ATOM 934 CG LEU A 92 9.924 7.986 1.276 1.00 0.00 C ATOM 935 CD1 LEU A 92 10.637 7.036 0.329 1.00 0.00 C ATOM 936 CD2 LEU A 92 9.039 8.949 0.501 1.00 0.00 C ATOM 0 H LEU A 92 8.044 6.051 4.184 1.00 0.00 H new ATOM 0 HA LEU A 92 10.277 5.432 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.338 6.634 1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.567 7.922 2.931 1.00 0.00 H new ATOM 0 HG LEU A 92 10.678 8.563 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.221 7.610 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.301 6.385 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.902 6.431 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.643 9.496 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.263 8.390 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.575 9.653 1.192 1.00 0.00 H new ATOM 948 N ARG A 93 10.770 7.709 4.917 1.00 0.00 N ATOM 949 CA ARG A 93 11.796 8.467 5.618 1.00 0.00 C ATOM 950 C ARG A 93 12.749 7.542 6.371 1.00 0.00 C ATOM 951 O ARG A 93 13.882 7.916 6.676 1.00 0.00 O ATOM 952 CB ARG A 93 11.153 9.483 6.560 1.00 0.00 C ATOM 953 CG ARG A 93 10.382 10.561 5.817 1.00 0.00 C ATOM 954 CD ARG A 93 9.666 11.507 6.763 1.00 0.00 C ATOM 955 NE ARG A 93 8.924 12.533 6.033 1.00 0.00 N ATOM 956 CZ ARG A 93 7.838 13.145 6.500 1.00 0.00 C ATOM 957 NH1 ARG A 93 7.371 12.850 7.705 1.00 0.00 N ATOM 958 NH2 ARG A 93 7.218 14.052 5.759 1.00 0.00 N ATOM 0 H ARG A 93 9.837 7.784 5.323 1.00 0.00 H new ATOM 0 HA ARG A 93 12.386 9.010 4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.480 8.965 7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.927 9.949 7.169 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.068 11.129 5.188 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.655 10.093 5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.981 10.942 7.396 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.392 11.982 7.423 1.00 0.00 H new ATOM 0 HE ARG A 93 9.260 12.797 5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.844 12.152 8.278 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.539 13.321 8.059 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.573 14.281 4.831 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.386 14.521 6.117 1.00 0.00 H new ATOM 972 N ILE A 94 12.297 6.330 6.670 1.00 0.00 N ATOM 973 CA ILE A 94 13.184 5.334 7.254 1.00 0.00 C ATOM 974 C ILE A 94 14.063 4.721 6.164 1.00 0.00 C ATOM 975 O ILE A 94 15.187 4.298 6.429 1.00 0.00 O ATOM 976 CB ILE A 94 12.421 4.220 7.993 1.00 0.00 C ATOM 977 CG1 ILE A 94 11.282 4.810 8.824 1.00 0.00 C ATOM 978 CG2 ILE A 94 13.378 3.457 8.899 1.00 0.00 C ATOM 979 CD1 ILE A 94 10.398 3.767 9.466 1.00 0.00 C ATOM 0 H ILE A 94 11.338 6.017 6.521 1.00 0.00 H new ATOM 0 HA ILE A 94 13.801 5.847 7.992 1.00 0.00 H new ATOM 0 HB ILE A 94 11.997 3.538 7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.703 5.446 9.602 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.671 5.449 8.186 1.00 0.00 H new ATOM 0 HG21 ILE A 94 12.835 2.669 9.421 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.172 3.014 8.298 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.813 4.141 9.627 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.612 4.259 10.039 1.00 0.00 H new ATOM 0 HD12 ILE A 94 9.947 3.146 8.692 1.00 0.00 H new ATOM 0 HD13 ILE A 94 10.995 3.143 10.130 1.00 0.00 H new ATOM 991 N ILE A 95 13.545 4.686 4.932 1.00 0.00 N ATOM 992 CA ILE A 95 14.352 4.319 3.767 1.00 0.00 C ATOM 993 C ILE A 95 15.498 5.306 3.621 1.00 0.00 C ATOM 994 O ILE A 95 16.627 4.935 3.303 1.00 0.00 O ATOM 995 CB ILE A 95 13.533 4.315 2.461 1.00 0.00 C ATOM 996 CG1 ILE A 95 12.375 3.329 2.553 1.00 0.00 C ATOM 997 CG2 ILE A 95 14.431 3.935 1.294 1.00 0.00 C ATOM 998 CD1 ILE A 95 12.825 1.893 2.468 1.00 0.00 C ATOM 0 H ILE A 95 12.573 4.907 4.717 1.00 0.00 H new ATOM 0 HA ILE A 95 14.722 3.307 3.933 1.00 0.00 H new ATOM 0 HB ILE A 95 13.129 5.315 2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 95 11.845 3.484 3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 95 11.666 3.531 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 95 13.849 3.933 0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.243 4.658 1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 95 14.846 2.941 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.959 1.235 2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 95 13.330 1.726 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.512 1.678 3.287 1.00 0.00 H new ATOM 1010 N ASN A 96 15.194 6.572 3.863 1.00 0.00 N ATOM 1011 CA ASN A 96 16.214 7.607 3.886 1.00 0.00 C ATOM 1012 C ASN A 96 17.242 7.284 4.957 1.00 0.00 C ATOM 1013 O ASN A 96 18.443 7.340 4.716 1.00 0.00 O ATOM 1014 CB ASN A 96 15.595 8.984 4.154 1.00 0.00 C ATOM 1015 CG ASN A 96 14.592 9.395 3.093 1.00 0.00 C ATOM 1016 OD1 ASN A 96 14.693 8.989 1.936 1.00 0.00 O ATOM 1017 ND2 ASN A 96 13.625 10.215 3.475 1.00 0.00 N ATOM 0 H ASN A 96 14.248 6.907 4.046 1.00 0.00 H new ATOM 0 HA ASN A 96 16.699 7.637 2.910 1.00 0.00 H new ATOM 0 HB2 ASN A 96 15.104 8.973 5.127 1.00 0.00 H new ATOM 0 HB3 ASN A 96 16.388 9.730 4.206 1.00 0.00 H new ATOM 0 HD21 ASN A 96 12.929 10.533 2.800 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.576 10.529 4.444 1.00 0.00 H new ATOM 1024 N ALA A 97 16.754 6.889 6.126 1.00 0.00 N ATOM 1025 CA ALA A 97 17.616 6.550 7.254 1.00 0.00 C ATOM 1026 C ALA A 97 18.346 5.220 7.047 1.00 0.00 C ATOM 1027 O ALA A 97 19.076 4.765 7.925 1.00 0.00 O ATOM 1028 CB ALA A 97 16.800 6.501 8.536 1.00 0.00 C ATOM 0 H ALA A 97 15.757 6.795 6.320 1.00 0.00 H new ATOM 0 HA ALA A 97 18.374 7.329 7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 97 17.451 6.247 9.372 1.00 0.00 H new ATOM 0 HB2 ALA A 97 16.343 7.475 8.714 1.00 0.00 H new ATOM 0 HB3 ALA A 97 16.020 5.746 8.442 1.00 0.00 H new ATOM 1034 N ARG A 98 18.142 4.591 5.894 1.00 0.00 N ATOM 1035 CA ARG A 98 18.840 3.351 5.570 1.00 0.00 C ATOM 1036 C ARG A 98 20.234 3.647 5.037 1.00 0.00 C ATOM 1037 O ARG A 98 21.108 2.781 5.050 1.00 0.00 O ATOM 1038 CB ARG A 98 18.070 2.538 4.526 1.00 0.00 C ATOM 1039 CG ARG A 98 16.716 2.022 4.987 1.00 0.00 C ATOM 1040 CD ARG A 98 16.842 0.963 6.069 1.00 0.00 C ATOM 1041 NE ARG A 98 16.925 1.538 7.411 1.00 0.00 N ATOM 1042 CZ ARG A 98 16.928 0.807 8.526 1.00 0.00 C ATOM 1043 NH1 ARG A 98 16.914 -0.518 8.450 1.00 0.00 N ATOM 1044 NH2 ARG A 98 16.952 1.398 9.714 1.00 0.00 N ATOM 0 H ARG A 98 17.502 4.918 5.170 1.00 0.00 H new ATOM 0 HA ARG A 98 18.914 2.769 6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 98 17.924 3.157 3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 98 18.683 1.688 4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.121 2.854 5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 98 16.179 1.606 4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 98 15.984 0.292 6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 98 17.730 0.360 5.880 1.00 0.00 H new ATOM 0 HE ARG A 98 16.984 2.553 7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 98 16.901 -0.976 7.539 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.916 -1.078 9.303 1.00 0.00 H new ATOM 0 HH21 ARG A 98 16.968 2.416 9.777 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.954 0.834 10.564 1.00 0.00 H new ATOM 1288 N GLY B 42 9.794 -10.366 -5.459 1.00 0.00 N ATOM 1289 CA GLY B 42 9.355 -9.052 -5.870 1.00 0.00 C ATOM 1290 C GLY B 42 10.488 -8.050 -5.933 1.00 0.00 C ATOM 1291 O GLY B 42 11.296 -7.967 -5.005 1.00 0.00 O ATOM 0 HA2 GLY B 42 8.882 -9.121 -6.850 1.00 0.00 H new ATOM 0 HA3 GLY B 42 8.596 -8.693 -5.175 1.00 0.00 H new ATOM 1295 N PRO B 43 10.588 -7.286 -7.033 1.00 0.00 N ATOM 1296 CA PRO B 43 11.575 -6.213 -7.163 1.00 0.00 C ATOM 1297 C PRO B 43 11.289 -5.072 -6.192 1.00 0.00 C ATOM 1298 O PRO B 43 10.277 -5.104 -5.492 1.00 0.00 O ATOM 1299 CB PRO B 43 11.413 -5.747 -8.612 1.00 0.00 C ATOM 1300 CG PRO B 43 10.031 -6.147 -8.992 1.00 0.00 C ATOM 1301 CD PRO B 43 9.755 -7.418 -8.241 1.00 0.00 C ATOM 0 HA PRO B 43 12.587 -6.547 -6.932 1.00 0.00 H new ATOM 0 HB2 PRO B 43 11.550 -4.669 -8.698 1.00 0.00 H new ATOM 0 HB3 PRO B 43 12.152 -6.215 -9.262 1.00 0.00 H new ATOM 0 HG2 PRO B 43 9.312 -5.372 -8.727 1.00 0.00 H new ATOM 0 HG3 PRO B 43 9.950 -6.302 -10.068 1.00 0.00 H new ATOM 0 HD2 PRO B 43 8.698 -7.517 -7.992 1.00 0.00 H new ATOM 0 HD3 PRO B 43 10.029 -8.297 -8.824 1.00 0.00 H new ATOM 1309 N ILE B 44 12.153 -4.062 -6.162 1.00 0.00 N ATOM 1310 CA ILE B 44 12.052 -2.993 -5.162 1.00 0.00 C ATOM 1311 C ILE B 44 10.651 -2.366 -5.118 1.00 0.00 C ATOM 1312 O ILE B 44 10.132 -2.075 -4.037 1.00 0.00 O ATOM 1313 CB ILE B 44 13.122 -1.901 -5.383 1.00 0.00 C ATOM 1314 CG1 ILE B 44 13.036 -1.322 -6.795 1.00 0.00 C ATOM 1315 CG2 ILE B 44 14.510 -2.473 -5.123 1.00 0.00 C ATOM 1316 CD1 ILE B 44 14.071 -0.257 -7.072 1.00 0.00 C ATOM 0 H ILE B 44 12.930 -3.957 -6.814 1.00 0.00 H new ATOM 0 HA ILE B 44 12.235 -3.463 -4.196 1.00 0.00 H new ATOM 0 HB ILE B 44 12.935 -1.090 -4.679 1.00 0.00 H new ATOM 0 HG12 ILE B 44 13.154 -2.129 -7.518 1.00 0.00 H new ATOM 0 HG13 ILE B 44 12.042 -0.900 -6.947 1.00 0.00 H new ATOM 0 HG21 ILE B 44 15.259 -1.697 -5.281 1.00 0.00 H new ATOM 0 HG22 ILE B 44 14.569 -2.831 -4.095 1.00 0.00 H new ATOM 0 HG23 ILE B 44 14.696 -3.301 -5.807 1.00 0.00 H new ATOM 0 HD11 ILE B 44 13.952 0.110 -8.092 1.00 0.00 H new ATOM 0 HD12 ILE B 44 13.940 0.568 -6.372 1.00 0.00 H new ATOM 0 HD13 ILE B 44 15.069 -0.679 -6.952 1.00 0.00 H new ATOM 1328 N ARG B 45 10.033 -2.195 -6.287 1.00 0.00 N ATOM 1329 CA ARG B 45 8.658 -1.700 -6.368 1.00 0.00 C ATOM 1330 C ARG B 45 7.719 -2.563 -5.532 1.00 0.00 C ATOM 1331 O ARG B 45 6.997 -2.071 -4.662 1.00 0.00 O ATOM 1332 CB ARG B 45 8.176 -1.710 -7.818 1.00 0.00 C ATOM 1333 CG ARG B 45 8.751 -0.600 -8.679 1.00 0.00 C ATOM 1334 CD ARG B 45 8.378 -0.801 -10.139 1.00 0.00 C ATOM 1335 NE ARG B 45 6.935 -0.981 -10.315 1.00 0.00 N ATOM 1336 CZ ARG B 45 6.384 -2.007 -10.966 1.00 0.00 C ATOM 1337 NH1 ARG B 45 7.149 -2.919 -11.557 1.00 0.00 N ATOM 1338 NH2 ARG B 45 5.063 -2.113 -11.034 1.00 0.00 N ATOM 0 H ARG B 45 10.463 -2.392 -7.191 1.00 0.00 H new ATOM 0 HA ARG B 45 8.649 -0.681 -5.982 1.00 0.00 H new ATOM 0 HB2 ARG B 45 8.432 -2.670 -8.266 1.00 0.00 H new ATOM 0 HB3 ARG B 45 7.089 -1.634 -7.827 1.00 0.00 H new ATOM 0 HG2 ARG B 45 8.379 0.364 -8.333 1.00 0.00 H new ATOM 0 HG3 ARG B 45 9.836 -0.578 -8.576 1.00 0.00 H new ATOM 0 HD2 ARG B 45 8.710 0.059 -10.720 1.00 0.00 H new ATOM 0 HD3 ARG B 45 8.903 -1.672 -10.531 1.00 0.00 H new ATOM 0 HE ARG B 45 6.313 -0.278 -9.915 1.00 0.00 H new ATOM 0 HH11 ARG B 45 8.165 -2.837 -11.515 1.00 0.00 H new ATOM 0 HH12 ARG B 45 6.720 -3.701 -12.053 1.00 0.00 H new ATOM 0 HH21 ARG B 45 4.471 -1.411 -10.589 1.00 0.00 H new ATOM 0 HH22 ARG B 45 4.639 -2.896 -11.531 1.00 0.00 H new ATOM 1352 N MET B 46 7.757 -3.861 -5.790 1.00 0.00 N ATOM 1353 CA MET B 46 6.868 -4.801 -5.129 1.00 0.00 C ATOM 1354 C MET B 46 7.247 -4.978 -3.663 1.00 0.00 C ATOM 1355 O MET B 46 6.432 -5.428 -2.861 1.00 0.00 O ATOM 1356 CB MET B 46 6.889 -6.151 -5.847 1.00 0.00 C ATOM 1357 CG MET B 46 6.177 -6.137 -7.191 1.00 0.00 C ATOM 1358 SD MET B 46 6.394 -7.672 -8.113 1.00 0.00 S ATOM 1359 CE MET B 46 5.706 -8.866 -6.966 1.00 0.00 C ATOM 0 H MET B 46 8.399 -4.289 -6.457 1.00 0.00 H new ATOM 0 HA MET B 46 5.858 -4.394 -5.172 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.924 -6.457 -5.997 1.00 0.00 H new ATOM 0 HB3 MET B 46 6.424 -6.901 -5.207 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.113 -5.962 -7.032 1.00 0.00 H new ATOM 0 HG3 MET B 46 6.552 -5.305 -7.787 1.00 0.00 H new ATOM 0 HE1 MET B 46 5.202 -9.656 -7.522 1.00 0.00 H new ATOM 0 HE2 MET B 46 6.507 -9.299 -6.367 1.00 0.00 H new ATOM 0 HE3 MET B 46 4.990 -8.370 -6.311 1.00 0.00 H new ATOM 1369 N VAL B 47 8.482 -4.620 -3.314 1.00 0.00 N ATOM 1370 CA VAL B 47 8.927 -4.684 -1.930 1.00 0.00 C ATOM 1371 C VAL B 47 8.175 -3.660 -1.092 1.00 0.00 C ATOM 1372 O VAL B 47 7.666 -3.981 -0.021 1.00 0.00 O ATOM 1373 CB VAL B 47 10.446 -4.448 -1.804 1.00 0.00 C ATOM 1374 CG1 VAL B 47 10.872 -4.425 -0.343 1.00 0.00 C ATOM 1375 CG2 VAL B 47 11.210 -5.521 -2.561 1.00 0.00 C ATOM 0 H VAL B 47 9.187 -4.284 -3.970 1.00 0.00 H new ATOM 0 HA VAL B 47 8.714 -5.688 -1.562 1.00 0.00 H new ATOM 0 HB VAL B 47 10.678 -3.477 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL B 47 11.947 -4.257 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL B 47 10.348 -3.622 0.176 1.00 0.00 H new ATOM 0 HG13 VAL B 47 10.626 -5.379 0.123 1.00 0.00 H new ATOM 0 HG21 VAL B 47 12.281 -5.342 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL B 47 10.967 -6.500 -2.149 1.00 0.00 H new ATOM 0 HG23 VAL B 47 10.931 -5.491 -3.614 1.00 0.00 H new ATOM 1385 N LEU B 48 8.086 -2.434 -1.594 1.00 0.00 N ATOM 1386 CA LEU B 48 7.317 -1.398 -0.914 1.00 0.00 C ATOM 1387 C LEU B 48 5.834 -1.758 -0.900 1.00 0.00 C ATOM 1388 O LEU B 48 5.124 -1.470 0.064 1.00 0.00 O ATOM 1389 CB LEU B 48 7.515 -0.025 -1.573 1.00 0.00 C ATOM 1390 CG LEU B 48 8.787 0.741 -1.175 1.00 0.00 C ATOM 1391 CD1 LEU B 48 8.879 0.894 0.337 1.00 0.00 C ATOM 1392 CD2 LEU B 48 10.033 0.060 -1.714 1.00 0.00 C ATOM 0 H LEU B 48 8.532 -2.134 -2.461 1.00 0.00 H new ATOM 0 HA LEU B 48 7.682 -1.338 0.111 1.00 0.00 H new ATOM 0 HB2 LEU B 48 7.521 -0.162 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU B 48 6.652 0.597 -1.335 1.00 0.00 H new ATOM 0 HG LEU B 48 8.724 1.734 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU B 48 9.787 1.439 0.593 1.00 0.00 H new ATOM 0 HD12 LEU B 48 8.011 1.444 0.701 1.00 0.00 H new ATOM 0 HD13 LEU B 48 8.904 -0.092 0.802 1.00 0.00 H new ATOM 0 HD21 LEU B 48 10.915 0.626 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU B 48 10.098 -0.951 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.982 0.016 -2.802 1.00 0.00 H new ATOM 1404 N ALA B 49 5.380 -2.401 -1.972 1.00 0.00 N ATOM 1405 CA ALA B 49 3.989 -2.825 -2.081 1.00 0.00 C ATOM 1406 C ALA B 49 3.638 -3.873 -1.026 1.00 0.00 C ATOM 1407 O ALA B 49 2.666 -3.716 -0.284 1.00 0.00 O ATOM 1408 CB ALA B 49 3.713 -3.367 -3.473 1.00 0.00 C ATOM 0 H ALA B 49 5.957 -2.640 -2.779 1.00 0.00 H new ATOM 0 HA ALA B 49 3.360 -1.953 -1.906 1.00 0.00 H new ATOM 0 HB1 ALA B 49 2.671 -3.680 -3.542 1.00 0.00 H new ATOM 0 HB2 ALA B 49 3.907 -2.589 -4.211 1.00 0.00 H new ATOM 0 HB3 ALA B 49 4.362 -4.221 -3.666 1.00 0.00 H new ATOM 1414 N ILE B 50 4.432 -4.940 -0.957 1.00 0.00 N ATOM 1415 CA ILE B 50 4.183 -6.006 0.007 1.00 0.00 C ATOM 1416 C ILE B 50 4.433 -5.507 1.427 1.00 0.00 C ATOM 1417 O ILE B 50 3.817 -5.979 2.379 1.00 0.00 O ATOM 1418 CB ILE B 50 5.047 -7.263 -0.276 1.00 0.00 C ATOM 1419 CG1 ILE B 50 4.605 -8.427 0.619 1.00 0.00 C ATOM 1420 CG2 ILE B 50 6.527 -6.968 -0.073 1.00 0.00 C ATOM 1421 CD1 ILE B 50 5.358 -9.717 0.364 1.00 0.00 C ATOM 0 H ILE B 50 5.247 -5.088 -1.553 1.00 0.00 H new ATOM 0 HA ILE B 50 3.137 -6.296 -0.095 1.00 0.00 H new ATOM 0 HB ILE B 50 4.900 -7.547 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.737 -8.141 1.662 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.540 -8.604 0.469 1.00 0.00 H new ATOM 0 HG21 ILE B 50 7.109 -7.867 -0.278 1.00 0.00 H new ATOM 0 HG22 ILE B 50 6.836 -6.173 -0.752 1.00 0.00 H new ATOM 0 HG23 ILE B 50 6.697 -6.653 0.956 1.00 0.00 H new ATOM 0 HD11 ILE B 50 4.989 -10.493 1.035 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.206 -10.029 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE B 50 6.422 -9.559 0.542 1.00 0.00 H new ATOM 1433 N LEU B 51 5.330 -4.539 1.554 1.00 0.00 N ATOM 1434 CA LEU B 51 5.607 -3.912 2.835 1.00 0.00 C ATOM 1435 C LEU B 51 4.360 -3.214 3.354 1.00 0.00 C ATOM 1436 O LEU B 51 3.917 -3.462 4.475 1.00 0.00 O ATOM 1437 CB LEU B 51 6.733 -2.895 2.689 1.00 0.00 C ATOM 1438 CG LEU B 51 7.193 -2.244 3.989 1.00 0.00 C ATOM 1439 CD1 LEU B 51 8.149 -3.159 4.740 1.00 0.00 C ATOM 1440 CD2 LEU B 51 7.834 -0.900 3.700 1.00 0.00 C ATOM 0 H LEU B 51 5.881 -4.170 0.779 1.00 0.00 H new ATOM 0 HA LEU B 51 5.910 -4.684 3.542 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.588 -3.388 2.226 1.00 0.00 H new ATOM 0 HB3 LEU B 51 6.407 -2.112 2.005 1.00 0.00 H new ATOM 0 HG LEU B 51 6.324 -2.079 4.626 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.465 -2.675 5.664 1.00 0.00 H new ATOM 0 HD12 LEU B 51 7.646 -4.097 4.975 1.00 0.00 H new ATOM 0 HD13 LEU B 51 9.022 -3.361 4.120 1.00 0.00 H new ATOM 0 HD21 LEU B 51 8.159 -0.443 4.635 1.00 0.00 H new ATOM 0 HD22 LEU B 51 8.695 -1.040 3.046 1.00 0.00 H new ATOM 0 HD23 LEU B 51 7.109 -0.249 3.211 1.00 0.00 H new ATOM 1452 N ALA B 52 3.794 -2.346 2.520 1.00 0.00 N ATOM 1453 CA ALA B 52 2.584 -1.616 2.869 1.00 0.00 C ATOM 1454 C ALA B 52 1.480 -2.578 3.277 1.00 0.00 C ATOM 1455 O ALA B 52 0.746 -2.331 4.236 1.00 0.00 O ATOM 1456 CB ALA B 52 2.134 -0.757 1.703 1.00 0.00 C ATOM 0 H ALA B 52 4.159 -2.132 1.592 1.00 0.00 H new ATOM 0 HA ALA B 52 2.803 -0.966 3.716 1.00 0.00 H new ATOM 0 HB1 ALA B 52 1.228 -0.217 1.978 1.00 0.00 H new ATOM 0 HB2 ALA B 52 2.920 -0.044 1.452 1.00 0.00 H new ATOM 0 HB3 ALA B 52 1.930 -1.392 0.841 1.00 0.00 H new ATOM 1462 N PHE B 53 1.381 -3.681 2.546 1.00 0.00 N ATOM 1463 CA PHE B 53 0.471 -4.758 2.898 1.00 0.00 C ATOM 1464 C PHE B 53 0.790 -5.271 4.300 1.00 0.00 C ATOM 1465 O PHE B 53 -0.049 -5.217 5.194 1.00 0.00 O ATOM 1466 CB PHE B 53 0.583 -5.891 1.869 1.00 0.00 C ATOM 1467 CG PHE B 53 -0.241 -7.107 2.192 1.00 0.00 C ATOM 1468 CD1 PHE B 53 -1.616 -7.093 2.033 1.00 0.00 C ATOM 1469 CD2 PHE B 53 0.365 -8.269 2.644 1.00 0.00 C ATOM 1470 CE1 PHE B 53 -2.373 -8.214 2.321 1.00 0.00 C ATOM 1471 CE2 PHE B 53 -0.386 -9.392 2.935 1.00 0.00 C ATOM 1472 CZ PHE B 53 -1.756 -9.364 2.773 1.00 0.00 C ATOM 0 H PHE B 53 1.925 -3.852 1.700 1.00 0.00 H new ATOM 0 HA PHE B 53 -0.552 -4.383 2.892 1.00 0.00 H new ATOM 0 HB2 PHE B 53 0.280 -5.511 0.893 1.00 0.00 H new ATOM 0 HB3 PHE B 53 1.629 -6.187 1.785 1.00 0.00 H new ATOM 0 HD1 PHE B 53 -2.103 -6.196 1.680 1.00 0.00 H new ATOM 0 HD2 PHE B 53 1.437 -8.297 2.770 1.00 0.00 H new ATOM 0 HE1 PHE B 53 -3.445 -8.190 2.193 1.00 0.00 H new ATOM 0 HE2 PHE B 53 0.099 -10.290 3.289 1.00 0.00 H new ATOM 0 HZ PHE B 53 -2.345 -10.240 2.999 1.00 0.00 H new ATOM 1482 N LEU B 54 2.027 -5.711 4.493 1.00 0.00 N ATOM 1483 CA LEU B 54 2.475 -6.278 5.768 1.00 0.00 C ATOM 1484 C LEU B 54 2.602 -5.219 6.867 1.00 0.00 C ATOM 1485 O LEU B 54 3.133 -5.491 7.942 1.00 0.00 O ATOM 1486 CB LEU B 54 3.822 -6.986 5.588 1.00 0.00 C ATOM 1487 CG LEU B 54 3.810 -8.198 4.652 1.00 0.00 C ATOM 1488 CD1 LEU B 54 5.222 -8.726 4.446 1.00 0.00 C ATOM 1489 CD2 LEU B 54 2.909 -9.291 5.207 1.00 0.00 C ATOM 0 H LEU B 54 2.750 -5.687 3.774 1.00 0.00 H new ATOM 0 HA LEU B 54 1.714 -6.993 6.081 1.00 0.00 H new ATOM 0 HB2 LEU B 54 4.545 -6.263 5.209 1.00 0.00 H new ATOM 0 HB3 LEU B 54 4.177 -7.308 6.567 1.00 0.00 H new ATOM 0 HG LEU B 54 3.415 -7.883 3.686 1.00 0.00 H new ATOM 0 HD11 LEU B 54 5.195 -9.587 3.778 1.00 0.00 H new ATOM 0 HD12 LEU B 54 5.842 -7.945 4.006 1.00 0.00 H new ATOM 0 HD13 LEU B 54 5.642 -9.025 5.406 1.00 0.00 H new ATOM 0 HD21 LEU B 54 2.912 -10.145 4.529 1.00 0.00 H new ATOM 0 HD22 LEU B 54 3.275 -9.603 6.185 1.00 0.00 H new ATOM 0 HD23 LEU B 54 1.893 -8.910 5.305 1.00 0.00 H new ATOM 1501 N ARG B 55 2.168 -4.000 6.591 1.00 0.00 N ATOM 1502 CA ARG B 55 2.106 -2.984 7.628 1.00 0.00 C ATOM 1503 C ARG B 55 0.671 -2.619 7.965 1.00 0.00 C ATOM 1504 O ARG B 55 0.302 -2.557 9.138 1.00 0.00 O ATOM 1505 CB ARG B 55 2.891 -1.738 7.228 1.00 0.00 C ATOM 1506 CG ARG B 55 4.374 -2.003 7.057 1.00 0.00 C ATOM 1507 CD ARG B 55 4.937 -2.783 8.236 1.00 0.00 C ATOM 1508 NE ARG B 55 4.684 -2.123 9.512 1.00 0.00 N ATOM 1509 CZ ARG B 55 4.151 -2.734 10.571 1.00 0.00 C ATOM 1510 NH1 ARG B 55 3.753 -4.002 10.488 1.00 0.00 N ATOM 1511 NH2 ARG B 55 3.995 -2.069 11.707 1.00 0.00 N ATOM 0 H ARG B 55 1.857 -3.693 5.669 1.00 0.00 H new ATOM 0 HA ARG B 55 2.565 -3.408 8.521 1.00 0.00 H new ATOM 0 HB2 ARG B 55 2.488 -1.345 6.295 1.00 0.00 H new ATOM 0 HB3 ARG B 55 2.750 -0.967 7.986 1.00 0.00 H new ATOM 0 HG2 ARG B 55 4.542 -2.561 6.136 1.00 0.00 H new ATOM 0 HG3 ARG B 55 4.905 -1.057 6.958 1.00 0.00 H new ATOM 0 HD2 ARG B 55 4.496 -3.780 8.252 1.00 0.00 H new ATOM 0 HD3 ARG B 55 6.011 -2.911 8.103 1.00 0.00 H new ATOM 0 HE ARG B 55 4.929 -1.137 9.599 1.00 0.00 H new ATOM 0 HH11 ARG B 55 3.855 -4.512 9.611 1.00 0.00 H new ATOM 0 HH12 ARG B 55 3.346 -4.463 11.302 1.00 0.00 H new ATOM 0 HH21 ARG B 55 4.282 -1.092 11.770 1.00 0.00 H new ATOM 0 HH22 ARG B 55 3.588 -2.534 12.518 1.00 0.00 H new ATOM 1525 N PHE B 56 -0.146 -2.399 6.948 1.00 0.00 N ATOM 1526 CA PHE B 56 -1.526 -2.001 7.174 1.00 0.00 C ATOM 1527 C PHE B 56 -2.378 -3.211 7.545 1.00 0.00 C ATOM 1528 O PHE B 56 -3.486 -3.069 8.064 1.00 0.00 O ATOM 1529 CB PHE B 56 -2.093 -1.291 5.946 1.00 0.00 C ATOM 1530 CG PHE B 56 -3.150 -0.276 6.288 1.00 0.00 C ATOM 1531 CD1 PHE B 56 -2.788 0.983 6.744 1.00 0.00 C ATOM 1532 CD2 PHE B 56 -4.495 -0.576 6.161 1.00 0.00 C ATOM 1533 CE1 PHE B 56 -3.748 1.922 7.066 1.00 0.00 C ATOM 1534 CE2 PHE B 56 -5.459 0.360 6.482 1.00 0.00 C ATOM 1535 CZ PHE B 56 -5.085 1.610 6.935 1.00 0.00 C ATOM 0 H PHE B 56 0.119 -2.488 5.967 1.00 0.00 H new ATOM 0 HA PHE B 56 -1.549 -1.300 8.008 1.00 0.00 H new ATOM 0 HB2 PHE B 56 -1.281 -0.796 5.413 1.00 0.00 H new ATOM 0 HB3 PHE B 56 -2.515 -2.032 5.268 1.00 0.00 H new ATOM 0 HD1 PHE B 56 -1.742 1.232 6.849 1.00 0.00 H new ATOM 0 HD2 PHE B 56 -4.794 -1.552 5.807 1.00 0.00 H new ATOM 0 HE1 PHE B 56 -3.452 2.899 7.420 1.00 0.00 H new ATOM 0 HE2 PHE B 56 -6.506 0.114 6.379 1.00 0.00 H new ATOM 0 HZ PHE B 56 -5.838 2.342 7.186 1.00 0.00 H new ATOM 1545 N THR B 57 -1.854 -4.402 7.288 1.00 0.00 N ATOM 1546 CA THR B 57 -2.523 -5.624 7.715 1.00 0.00 C ATOM 1547 C THR B 57 -1.904 -6.124 9.014 1.00 0.00 C ATOM 1548 O THR B 57 -2.278 -7.180 9.528 1.00 0.00 O ATOM 1549 CB THR B 57 -2.444 -6.743 6.648 1.00 0.00 C ATOM 1550 OG1 THR B 57 -1.094 -7.192 6.490 1.00 0.00 O ATOM 1551 CG2 THR B 57 -2.966 -6.256 5.305 1.00 0.00 C ATOM 0 H THR B 57 -0.976 -4.548 6.790 1.00 0.00 H new ATOM 0 HA THR B 57 -3.575 -5.380 7.864 1.00 0.00 H new ATOM 0 HB THR B 57 -3.066 -7.569 6.993 1.00 0.00 H new ATOM 0 HG1 THR B 57 -0.655 -6.669 5.787 1.00 0.00 H new ATOM 0 HG21 THR B 57 -2.899 -7.062 4.574 1.00 0.00 H new ATOM 0 HG22 THR B 57 -4.006 -5.947 5.409 1.00 0.00 H new ATOM 0 HG23 THR B 57 -2.368 -5.410 4.967 1.00 0.00 H new ATOM 1559 N ALA B 58 -0.988 -5.316 9.553 1.00 0.00 N ATOM 1560 CA ALA B 58 -0.162 -5.693 10.698 1.00 0.00 C ATOM 1561 C ALA B 58 0.773 -6.837 10.322 1.00 0.00 C ATOM 1562 O ALA B 58 1.057 -7.033 9.141 1.00 0.00 O ATOM 1563 CB ALA B 58 -1.015 -6.050 11.906 1.00 0.00 C ATOM 0 H ALA B 58 -0.799 -4.376 9.204 1.00 0.00 H new ATOM 0 HA ALA B 58 0.445 -4.832 10.978 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -0.369 -6.325 12.739 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -1.624 -5.191 12.188 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -1.664 -6.890 11.658 1.00 0.00 H new ATOM 1569 N ILE B 59 1.248 -7.577 11.329 1.00 0.00 N ATOM 1570 CA ILE B 59 2.217 -8.655 11.128 1.00 0.00 C ATOM 1571 C ILE B 59 3.612 -8.073 10.904 1.00 0.00 C ATOM 1572 O ILE B 59 3.768 -7.030 10.272 1.00 0.00 O ATOM 1573 CB ILE B 59 1.827 -9.582 9.944 1.00 0.00 C ATOM 1574 CG1 ILE B 59 0.471 -10.246 10.210 1.00 0.00 C ATOM 1575 CG2 ILE B 59 2.895 -10.641 9.701 1.00 0.00 C ATOM 1576 CD1 ILE B 59 -0.029 -11.091 9.058 1.00 0.00 C ATOM 0 H ILE B 59 0.972 -7.445 12.302 1.00 0.00 H new ATOM 0 HA ILE B 59 2.217 -9.265 12.031 1.00 0.00 H new ATOM 0 HB ILE B 59 1.749 -8.968 9.047 1.00 0.00 H new ATOM 0 HG12 ILE B 59 0.551 -10.871 11.100 1.00 0.00 H new ATOM 0 HG13 ILE B 59 -0.266 -9.473 10.428 1.00 0.00 H new ATOM 0 HG21 ILE B 59 2.595 -11.275 8.867 1.00 0.00 H new ATOM 0 HG22 ILE B 59 3.842 -10.155 9.466 1.00 0.00 H new ATOM 0 HG23 ILE B 59 3.013 -11.251 10.597 1.00 0.00 H new ATOM 0 HD11 ILE B 59 -0.993 -11.528 9.319 1.00 0.00 H new ATOM 0 HD12 ILE B 59 -0.142 -10.467 8.171 1.00 0.00 H new ATOM 0 HD13 ILE B 59 0.687 -11.887 8.853 1.00 0.00 H new ATOM 1588 N LYS B 60 4.621 -8.724 11.461 1.00 0.00 N ATOM 1589 CA LYS B 60 5.990 -8.274 11.288 1.00 0.00 C ATOM 1590 C LYS B 60 6.515 -8.718 9.928 1.00 0.00 C ATOM 1591 O LYS B 60 6.575 -9.916 9.644 1.00 0.00 O ATOM 1592 CB LYS B 60 6.884 -8.828 12.401 1.00 0.00 C ATOM 1593 CG LYS B 60 8.329 -8.364 12.301 1.00 0.00 C ATOM 1594 CD LYS B 60 9.181 -8.926 13.427 1.00 0.00 C ATOM 1595 CE LYS B 60 10.634 -8.493 13.301 1.00 0.00 C ATOM 1596 NZ LYS B 60 10.794 -7.017 13.404 1.00 0.00 N ATOM 0 H LYS B 60 4.517 -9.562 12.034 1.00 0.00 H new ATOM 0 HA LYS B 60 6.007 -7.185 11.340 1.00 0.00 H new ATOM 0 HB2 LYS B 60 6.479 -8.526 13.367 1.00 0.00 H new ATOM 0 HB3 LYS B 60 6.857 -9.917 12.371 1.00 0.00 H new ATOM 0 HG2 LYS B 60 8.744 -8.673 11.342 1.00 0.00 H new ATOM 0 HG3 LYS B 60 8.364 -7.275 12.328 1.00 0.00 H new ATOM 0 HD2 LYS B 60 8.783 -8.593 14.386 1.00 0.00 H new ATOM 0 HD3 LYS B 60 9.123 -10.014 13.419 1.00 0.00 H new ATOM 0 HE2 LYS B 60 11.224 -8.975 14.081 1.00 0.00 H new ATOM 0 HE3 LYS B 60 11.031 -8.833 12.345 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 11.804 -6.782 13.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 10.399 -6.565 12.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 10.291 -6.671 14.246 1.00 0.00 H new ATOM 1610 N PRO B 61 6.871 -7.762 9.058 1.00 0.00 N ATOM 1611 CA PRO B 61 7.449 -8.070 7.751 1.00 0.00 C ATOM 1612 C PRO B 61 8.754 -8.839 7.891 1.00 0.00 C ATOM 1613 O PRO B 61 9.680 -8.387 8.569 1.00 0.00 O ATOM 1614 CB PRO B 61 7.702 -6.698 7.120 1.00 0.00 C ATOM 1615 CG PRO B 61 6.841 -5.752 7.883 1.00 0.00 C ATOM 1616 CD PRO B 61 6.733 -6.314 9.272 1.00 0.00 C ATOM 0 HA PRO B 61 6.792 -8.699 7.150 1.00 0.00 H new ATOM 0 HB2 PRO B 61 8.753 -6.419 7.192 1.00 0.00 H new ATOM 0 HB3 PRO B 61 7.444 -6.698 6.061 1.00 0.00 H new ATOM 0 HG2 PRO B 61 7.278 -4.754 7.900 1.00 0.00 H new ATOM 0 HG3 PRO B 61 5.858 -5.662 7.422 1.00 0.00 H new ATOM 0 HD2 PRO B 61 7.515 -5.927 9.925 1.00 0.00 H new ATOM 0 HD3 PRO B 61 5.778 -6.064 9.735 1.00 0.00 H new ATOM 1624 N SER B 62 8.805 -10.009 7.269 1.00 0.00 N ATOM 1625 CA SER B 62 9.977 -10.871 7.327 1.00 0.00 C ATOM 1626 C SER B 62 11.223 -10.136 6.833 1.00 0.00 C ATOM 1627 O SER B 62 11.151 -9.284 5.940 1.00 0.00 O ATOM 1628 CB SER B 62 9.719 -12.117 6.487 1.00 0.00 C ATOM 1629 OG SER B 62 8.468 -12.697 6.826 1.00 0.00 O ATOM 0 H SER B 62 8.038 -10.386 6.712 1.00 0.00 H new ATOM 0 HA SER B 62 10.157 -11.161 8.362 1.00 0.00 H new ATOM 0 HB2 SER B 62 9.731 -11.858 5.428 1.00 0.00 H new ATOM 0 HB3 SER B 62 10.517 -12.842 6.647 1.00 0.00 H new ATOM 0 HG SER B 62 8.317 -13.494 6.277 1.00 0.00 H new ATOM 1635 N LEU B 63 12.365 -10.483 7.427 1.00 0.00 N ATOM 1636 CA LEU B 63 13.613 -9.756 7.211 1.00 0.00 C ATOM 1637 C LEU B 63 14.064 -9.787 5.760 1.00 0.00 C ATOM 1638 O LEU B 63 14.831 -8.928 5.341 1.00 0.00 O ATOM 1639 CB LEU B 63 14.721 -10.306 8.107 1.00 0.00 C ATOM 1640 CG LEU B 63 14.488 -10.129 9.609 1.00 0.00 C ATOM 1641 CD1 LEU B 63 15.650 -10.705 10.399 1.00 0.00 C ATOM 1642 CD2 LEU B 63 14.287 -8.660 9.955 1.00 0.00 C ATOM 0 H LEU B 63 12.450 -11.272 8.068 1.00 0.00 H new ATOM 0 HA LEU B 63 13.415 -8.716 7.472 1.00 0.00 H new ATOM 0 HB2 LEU B 63 14.843 -11.368 7.897 1.00 0.00 H new ATOM 0 HB3 LEU B 63 15.659 -9.818 7.840 1.00 0.00 H new ATOM 0 HG LEU B 63 13.582 -10.671 9.879 1.00 0.00 H new ATOM 0 HD11 LEU B 63 15.467 -10.570 11.465 1.00 0.00 H new ATOM 0 HD12 LEU B 63 15.748 -11.768 10.179 1.00 0.00 H new ATOM 0 HD13 LEU B 63 16.570 -10.191 10.121 1.00 0.00 H new ATOM 0 HD21 LEU B 63 14.123 -8.558 11.028 1.00 0.00 H new ATOM 0 HD22 LEU B 63 15.173 -8.094 9.668 1.00 0.00 H new ATOM 0 HD23 LEU B 63 13.421 -8.275 9.417 1.00 0.00 H new ATOM 1654 N GLY B 64 13.599 -10.770 4.998 1.00 0.00 N ATOM 1655 CA GLY B 64 13.893 -10.794 3.578 1.00 0.00 C ATOM 1656 C GLY B 64 13.364 -9.551 2.891 1.00 0.00 C ATOM 1657 O GLY B 64 14.066 -8.913 2.099 1.00 0.00 O ATOM 0 H GLY B 64 13.028 -11.545 5.335 1.00 0.00 H new ATOM 0 HA2 GLY B 64 14.970 -10.866 3.428 1.00 0.00 H new ATOM 0 HA3 GLY B 64 13.448 -11.680 3.126 1.00 0.00 H new ATOM 1661 N LEU B 65 12.133 -9.185 3.233 1.00 0.00 N ATOM 1662 CA LEU B 65 11.509 -7.988 2.696 1.00 0.00 C ATOM 1663 C LEU B 65 12.203 -6.751 3.243 1.00 0.00 C ATOM 1664 O LEU B 65 12.448 -5.801 2.513 1.00 0.00 O ATOM 1665 CB LEU B 65 10.011 -7.934 3.037 1.00 0.00 C ATOM 1666 CG LEU B 65 9.124 -9.007 2.386 1.00 0.00 C ATOM 1667 CD1 LEU B 65 9.411 -9.117 0.896 1.00 0.00 C ATOM 1668 CD2 LEU B 65 9.296 -10.354 3.072 1.00 0.00 C ATOM 0 H LEU B 65 11.547 -9.707 3.885 1.00 0.00 H new ATOM 0 HA LEU B 65 11.610 -8.016 1.611 1.00 0.00 H new ATOM 0 HB2 LEU B 65 9.904 -8.012 4.119 1.00 0.00 H new ATOM 0 HB3 LEU B 65 9.630 -6.954 2.749 1.00 0.00 H new ATOM 0 HG LEU B 65 8.085 -8.700 2.510 1.00 0.00 H new ATOM 0 HD11 LEU B 65 8.771 -9.883 0.458 1.00 0.00 H new ATOM 0 HD12 LEU B 65 9.212 -8.159 0.415 1.00 0.00 H new ATOM 0 HD13 LEU B 65 10.456 -9.388 0.746 1.00 0.00 H new ATOM 0 HD21 LEU B 65 8.656 -11.092 2.589 1.00 0.00 H new ATOM 0 HD22 LEU B 65 10.336 -10.671 2.996 1.00 0.00 H new ATOM 0 HD23 LEU B 65 9.019 -10.265 4.123 1.00 0.00 H new ATOM 1680 N ILE B 66 12.534 -6.785 4.531 1.00 0.00 N ATOM 1681 CA ILE B 66 13.220 -5.669 5.186 1.00 0.00 C ATOM 1682 C ILE B 66 14.604 -5.444 4.574 1.00 0.00 C ATOM 1683 O ILE B 66 15.079 -4.309 4.460 1.00 0.00 O ATOM 1684 CB ILE B 66 13.360 -5.918 6.705 1.00 0.00 C ATOM 1685 CG1 ILE B 66 11.982 -6.124 7.339 1.00 0.00 C ATOM 1686 CG2 ILE B 66 14.088 -4.766 7.383 1.00 0.00 C ATOM 1687 CD1 ILE B 66 11.069 -4.917 7.231 1.00 0.00 C ATOM 0 H ILE B 66 12.339 -7.575 5.146 1.00 0.00 H new ATOM 0 HA ILE B 66 12.614 -4.776 5.030 1.00 0.00 H new ATOM 0 HB ILE B 66 13.952 -6.822 6.847 1.00 0.00 H new ATOM 0 HG12 ILE B 66 11.498 -6.977 6.864 1.00 0.00 H new ATOM 0 HG13 ILE B 66 12.111 -6.377 8.391 1.00 0.00 H new ATOM 0 HG21 ILE B 66 14.173 -4.967 8.451 1.00 0.00 H new ATOM 0 HG22 ILE B 66 15.084 -4.662 6.953 1.00 0.00 H new ATOM 0 HG23 ILE B 66 13.529 -3.843 7.231 1.00 0.00 H new ATOM 0 HD11 ILE B 66 10.112 -5.141 7.703 1.00 0.00 H new ATOM 0 HD12 ILE B 66 11.530 -4.066 7.732 1.00 0.00 H new ATOM 0 HD13 ILE B 66 10.908 -4.676 6.180 1.00 0.00 H new ATOM 1699 N ASN B 67 15.245 -6.533 4.180 1.00 0.00 N ATOM 1700 CA ASN B 67 16.543 -6.462 3.529 1.00 0.00 C ATOM 1701 C ASN B 67 16.431 -5.806 2.159 1.00 0.00 C ATOM 1702 O ASN B 67 17.276 -4.993 1.789 1.00 0.00 O ATOM 1703 CB ASN B 67 17.161 -7.855 3.407 1.00 0.00 C ATOM 1704 CG ASN B 67 18.143 -8.152 4.523 1.00 0.00 C ATOM 1705 OD1 ASN B 67 17.765 -8.623 5.596 1.00 0.00 O ATOM 1706 ND2 ASN B 67 19.415 -7.886 4.275 1.00 0.00 N ATOM 0 H ASN B 67 14.886 -7.480 4.300 1.00 0.00 H new ATOM 0 HA ASN B 67 17.197 -5.847 4.147 1.00 0.00 H new ATOM 0 HB2 ASN B 67 16.368 -8.603 3.416 1.00 0.00 H new ATOM 0 HB3 ASN B 67 17.670 -7.941 2.447 1.00 0.00 H new ATOM 0 HD21 ASN B 67 20.123 -8.071 4.986 1.00 0.00 H new ATOM 0 HD22 ASN B 67 19.688 -7.496 3.373 1.00 0.00 H new ATOM 1713 N ARG B 68 15.378 -6.133 1.414 1.00 0.00 N ATOM 1714 CA ARG B 68 15.169 -5.524 0.104 1.00 0.00 C ATOM 1715 C ARG B 68 14.668 -4.098 0.276 1.00 0.00 C ATOM 1716 O ARG B 68 14.947 -3.223 -0.540 1.00 0.00 O ATOM 1717 CB ARG B 68 14.175 -6.328 -0.737 1.00 0.00 C ATOM 1718 CG ARG B 68 14.675 -7.705 -1.129 1.00 0.00 C ATOM 1719 CD ARG B 68 13.759 -8.360 -2.152 1.00 0.00 C ATOM 1720 NE ARG B 68 14.267 -9.662 -2.575 1.00 0.00 N ATOM 1721 CZ ARG B 68 14.280 -10.088 -3.837 1.00 0.00 C ATOM 1722 NH1 ARG B 68 13.733 -9.356 -4.803 1.00 0.00 N ATOM 1723 NH2 ARG B 68 14.823 -11.262 -4.131 1.00 0.00 N ATOM 0 H ARG B 68 14.665 -6.808 1.691 1.00 0.00 H new ATOM 0 HA ARG B 68 16.123 -5.518 -0.422 1.00 0.00 H new ATOM 0 HB2 ARG B 68 13.245 -6.435 -0.179 1.00 0.00 H new ATOM 0 HB3 ARG B 68 13.941 -5.766 -1.641 1.00 0.00 H new ATOM 0 HG2 ARG B 68 15.682 -7.625 -1.539 1.00 0.00 H new ATOM 0 HG3 ARG B 68 14.741 -8.335 -0.242 1.00 0.00 H new ATOM 0 HD2 ARG B 68 12.763 -8.479 -1.726 1.00 0.00 H new ATOM 0 HD3 ARG B 68 13.658 -7.709 -3.020 1.00 0.00 H new ATOM 0 HE ARG B 68 14.636 -10.286 -1.857 1.00 0.00 H new ATOM 0 HH11 ARG B 68 13.299 -8.460 -4.580 1.00 0.00 H new ATOM 0 HH12 ARG B 68 13.748 -9.690 -5.767 1.00 0.00 H new ATOM 0 HH21 ARG B 68 15.229 -11.836 -3.392 1.00 0.00 H new ATOM 0 HH22 ARG B 68 14.835 -11.591 -5.096 1.00 0.00 H new ATOM 1737 N TRP B 69 13.936 -3.896 1.356 1.00 0.00 N ATOM 1738 CA TRP B 69 13.427 -2.594 1.754 1.00 0.00 C ATOM 1739 C TRP B 69 14.564 -1.575 1.833 1.00 0.00 C ATOM 1740 O TRP B 69 14.545 -0.549 1.156 1.00 0.00 O ATOM 1741 CB TRP B 69 12.735 -2.767 3.107 1.00 0.00 C ATOM 1742 CG TRP B 69 12.180 -1.530 3.734 1.00 0.00 C ATOM 1743 CD1 TRP B 69 11.146 -0.766 3.290 1.00 0.00 C ATOM 1744 CD2 TRP B 69 12.612 -0.945 4.962 1.00 0.00 C ATOM 1745 NE1 TRP B 69 10.900 0.254 4.177 1.00 0.00 N ATOM 1746 CE2 TRP B 69 11.792 0.166 5.210 1.00 0.00 C ATOM 1747 CE3 TRP B 69 13.613 -1.260 5.876 1.00 0.00 C ATOM 1748 CZ2 TRP B 69 11.944 0.964 6.336 1.00 0.00 C ATOM 1749 CZ3 TRP B 69 13.767 -0.469 6.993 1.00 0.00 C ATOM 1750 CH2 TRP B 69 12.933 0.629 7.218 1.00 0.00 C ATOM 0 H TRP B 69 13.673 -4.647 1.995 1.00 0.00 H new ATOM 0 HA TRP B 69 12.716 -2.215 1.020 1.00 0.00 H new ATOM 0 HB2 TRP B 69 11.922 -3.482 2.985 1.00 0.00 H new ATOM 0 HB3 TRP B 69 13.449 -3.211 3.801 1.00 0.00 H new ATOM 0 HD1 TRP B 69 10.599 -0.936 2.375 1.00 0.00 H new ATOM 0 HE1 TRP B 69 10.171 0.961 4.081 1.00 0.00 H new ATOM 0 HE3 TRP B 69 14.258 -2.110 5.712 1.00 0.00 H new ATOM 0 HZ2 TRP B 69 11.305 1.817 6.508 1.00 0.00 H new ATOM 0 HZ3 TRP B 69 14.544 -0.701 7.706 1.00 0.00 H new ATOM 0 HH2 TRP B 69 13.073 1.226 8.107 1.00 0.00 H new ATOM 1761 N GLY B 70 15.571 -1.890 2.637 1.00 0.00 N ATOM 1762 CA GLY B 70 16.734 -1.031 2.754 1.00 0.00 C ATOM 1763 C GLY B 70 17.657 -1.105 1.548 1.00 0.00 C ATOM 1764 O GLY B 70 18.644 -0.373 1.476 1.00 0.00 O ATOM 0 H GLY B 70 15.603 -2.731 3.214 1.00 0.00 H new ATOM 0 HA2 GLY B 70 16.405 -0.001 2.889 1.00 0.00 H new ATOM 0 HA3 GLY B 70 17.293 -1.307 3.648 1.00 0.00 H new ATOM 1768 N SER B 71 17.349 -1.989 0.604 1.00 0.00 N ATOM 1769 CA SER B 71 18.132 -2.096 -0.622 1.00 0.00 C ATOM 1770 C SER B 71 17.650 -1.081 -1.654 1.00 0.00 C ATOM 1771 O SER B 71 18.350 -0.786 -2.624 1.00 0.00 O ATOM 1772 CB SER B 71 18.058 -3.512 -1.199 1.00 0.00 C ATOM 1773 OG SER B 71 18.682 -4.451 -0.337 1.00 0.00 O ATOM 0 H SER B 71 16.566 -2.639 0.664 1.00 0.00 H new ATOM 0 HA SER B 71 19.172 -1.881 -0.376 1.00 0.00 H new ATOM 0 HB2 SER B 71 17.015 -3.791 -1.351 1.00 0.00 H new ATOM 0 HB3 SER B 71 18.540 -3.535 -2.176 1.00 0.00 H new ATOM 0 HG SER B 71 18.047 -4.733 0.354 1.00 0.00 H new ATOM 1779 N VAL B 72 16.452 -0.553 -1.447 1.00 0.00 N ATOM 1780 CA VAL B 72 15.935 0.499 -2.305 1.00 0.00 C ATOM 1781 C VAL B 72 16.710 1.783 -2.022 1.00 0.00 C ATOM 1782 O VAL B 72 16.835 2.195 -0.868 1.00 0.00 O ATOM 1783 CB VAL B 72 14.425 0.732 -2.081 1.00 0.00 C ATOM 1784 CG1 VAL B 72 13.858 1.639 -3.162 1.00 0.00 C ATOM 1785 CG2 VAL B 72 13.671 -0.592 -2.040 1.00 0.00 C ATOM 0 H VAL B 72 15.823 -0.836 -0.695 1.00 0.00 H new ATOM 0 HA VAL B 72 16.064 0.197 -3.344 1.00 0.00 H new ATOM 0 HB VAL B 72 14.297 1.224 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL B 72 12.793 1.792 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL B 72 14.371 2.600 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL B 72 14.003 1.176 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL B 72 12.610 -0.401 -1.881 1.00 0.00 H new ATOM 0 HG22 VAL B 72 13.808 -1.118 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL B 72 14.056 -1.205 -1.225 1.00 0.00 H new ATOM 1795 N GLY B 73 17.236 2.407 -3.070 1.00 0.00 N ATOM 1796 CA GLY B 73 18.155 3.525 -2.900 1.00 0.00 C ATOM 1797 C GLY B 73 17.484 4.842 -2.543 1.00 0.00 C ATOM 1798 O GLY B 73 17.844 5.870 -3.103 1.00 0.00 O ATOM 0 H GLY B 73 17.043 2.159 -4.040 1.00 0.00 H new ATOM 0 HA2 GLY B 73 18.873 3.274 -2.119 1.00 0.00 H new ATOM 0 HA3 GLY B 73 18.721 3.658 -3.822 1.00 0.00 H new ATOM 1802 N LYS B 74 16.538 4.784 -1.594 1.00 0.00 N ATOM 1803 CA LYS B 74 15.786 5.938 -1.043 1.00 0.00 C ATOM 1804 C LYS B 74 15.164 6.879 -2.090 1.00 0.00 C ATOM 1805 O LYS B 74 13.948 7.044 -2.107 1.00 0.00 O ATOM 1806 CB LYS B 74 16.598 6.720 0.006 1.00 0.00 C ATOM 1807 CG LYS B 74 17.953 7.236 -0.450 1.00 0.00 C ATOM 1808 CD LYS B 74 18.574 8.140 0.600 1.00 0.00 C ATOM 1809 CE LYS B 74 17.668 9.321 0.899 1.00 0.00 C ATOM 1810 NZ LYS B 74 18.365 10.401 1.648 1.00 0.00 N ATOM 0 H LYS B 74 16.259 3.900 -1.168 1.00 0.00 H new ATOM 0 HA LYS B 74 14.935 5.477 -0.542 1.00 0.00 H new ATOM 0 HB2 LYS B 74 16.001 7.569 0.339 1.00 0.00 H new ATOM 0 HB3 LYS B 74 16.749 6.077 0.873 1.00 0.00 H new ATOM 0 HG2 LYS B 74 18.617 6.395 -0.650 1.00 0.00 H new ATOM 0 HG3 LYS B 74 17.841 7.783 -1.386 1.00 0.00 H new ATOM 0 HD2 LYS B 74 18.754 7.573 1.514 1.00 0.00 H new ATOM 0 HD3 LYS B 74 19.543 8.498 0.251 1.00 0.00 H new ATOM 0 HE2 LYS B 74 17.282 9.724 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS B 74 16.810 8.979 1.477 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 17.703 11.183 1.826 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 18.711 10.027 2.554 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 19.169 10.749 1.087 1.00 0.00 H new ATOM 1824 N LYS B 75 15.973 7.502 -2.936 1.00 0.00 N ATOM 1825 CA LYS B 75 15.468 8.374 -3.993 1.00 0.00 C ATOM 1826 C LYS B 75 14.454 7.618 -4.842 1.00 0.00 C ATOM 1827 O LYS B 75 13.333 8.079 -5.066 1.00 0.00 O ATOM 1828 CB LYS B 75 16.637 8.866 -4.855 1.00 0.00 C ATOM 1829 CG LYS B 75 16.239 9.898 -5.893 1.00 0.00 C ATOM 1830 CD LYS B 75 15.653 9.264 -7.142 1.00 0.00 C ATOM 1831 CE LYS B 75 15.164 10.316 -8.121 1.00 0.00 C ATOM 1832 NZ LYS B 75 16.274 11.173 -8.612 1.00 0.00 N ATOM 0 H LYS B 75 16.989 7.420 -2.912 1.00 0.00 H new ATOM 0 HA LYS B 75 14.973 9.238 -3.550 1.00 0.00 H new ATOM 0 HB2 LYS B 75 17.401 9.293 -4.205 1.00 0.00 H new ATOM 0 HB3 LYS B 75 17.089 8.012 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS B 75 15.510 10.583 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS B 75 17.112 10.492 -6.165 1.00 0.00 H new ATOM 0 HD2 LYS B 75 16.406 8.640 -7.623 1.00 0.00 H new ATOM 0 HD3 LYS B 75 14.826 8.610 -6.866 1.00 0.00 H new ATOM 0 HE2 LYS B 75 14.680 9.828 -8.967 1.00 0.00 H new ATOM 0 HE3 LYS B 75 14.410 10.939 -7.639 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 15.931 11.775 -9.387 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 16.620 11.772 -7.835 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 17.050 10.572 -8.957 1.00 0.00 H new ATOM 1846 N GLU B 76 14.880 6.461 -5.313 1.00 0.00 N ATOM 1847 CA GLU B 76 14.011 5.536 -6.034 1.00 0.00 C ATOM 1848 C GLU B 76 12.727 5.266 -5.247 1.00 0.00 C ATOM 1849 O GLU B 76 11.633 5.278 -5.806 1.00 0.00 O ATOM 1850 CB GLU B 76 14.749 4.221 -6.279 1.00 0.00 C ATOM 1851 CG GLU B 76 13.963 3.219 -7.106 1.00 0.00 C ATOM 1852 CD GLU B 76 13.766 3.670 -8.538 1.00 0.00 C ATOM 1853 OE1 GLU B 76 14.767 3.740 -9.282 1.00 0.00 O ATOM 1854 OE2 GLU B 76 12.615 3.939 -8.935 1.00 0.00 O ATOM 0 H GLU B 76 15.839 6.131 -5.209 1.00 0.00 H new ATOM 0 HA GLU B 76 13.742 5.990 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU B 76 15.692 4.433 -6.783 1.00 0.00 H new ATOM 0 HB3 GLU B 76 14.996 3.770 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU B 76 14.483 2.261 -7.099 1.00 0.00 H new ATOM 0 HG3 GLU B 76 12.990 3.056 -6.643 1.00 0.00 H new ATOM 1861 N ALA B 77 12.871 5.041 -3.942 1.00 0.00 N ATOM 1862 CA ALA B 77 11.726 4.773 -3.075 1.00 0.00 C ATOM 1863 C ALA B 77 10.770 5.957 -3.064 1.00 0.00 C ATOM 1864 O ALA B 77 9.557 5.780 -3.018 1.00 0.00 O ATOM 1865 CB ALA B 77 12.183 4.450 -1.659 1.00 0.00 C ATOM 0 H ALA B 77 13.771 5.039 -3.462 1.00 0.00 H new ATOM 0 HA ALA B 77 11.199 3.906 -3.473 1.00 0.00 H new ATOM 0 HB1 ALA B 77 11.313 4.254 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA B 77 12.824 3.569 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA B 77 12.739 5.296 -1.254 1.00 0.00 H new ATOM 1871 N MET B 78 11.326 7.163 -3.112 1.00 0.00 N ATOM 1872 CA MET B 78 10.520 8.377 -3.161 1.00 0.00 C ATOM 1873 C MET B 78 9.635 8.374 -4.397 1.00 0.00 C ATOM 1874 O MET B 78 8.453 8.699 -4.321 1.00 0.00 O ATOM 1875 CB MET B 78 11.409 9.623 -3.159 1.00 0.00 C ATOM 1876 CG MET B 78 12.178 9.824 -1.866 1.00 0.00 C ATOM 1877 SD MET B 78 13.224 11.290 -1.900 1.00 0.00 S ATOM 1878 CE MET B 78 13.888 11.257 -0.238 1.00 0.00 C ATOM 0 H MET B 78 12.333 7.326 -3.118 1.00 0.00 H new ATOM 0 HA MET B 78 9.890 8.400 -2.272 1.00 0.00 H new ATOM 0 HB2 MET B 78 12.117 9.554 -3.985 1.00 0.00 H new ATOM 0 HB3 MET B 78 10.789 10.501 -3.343 1.00 0.00 H new ATOM 0 HG2 MET B 78 11.474 9.904 -1.038 1.00 0.00 H new ATOM 0 HG3 MET B 78 12.796 8.946 -1.675 1.00 0.00 H new ATOM 0 HE1 MET B 78 14.352 12.217 -0.012 1.00 0.00 H new ATOM 0 HE2 MET B 78 13.083 11.067 0.472 1.00 0.00 H new ATOM 0 HE3 MET B 78 14.634 10.466 -0.160 1.00 0.00 H new ATOM 1888 N GLU B 79 10.213 7.989 -5.530 1.00 0.00 N ATOM 1889 CA GLU B 79 9.460 7.877 -6.773 1.00 0.00 C ATOM 1890 C GLU B 79 8.416 6.770 -6.672 1.00 0.00 C ATOM 1891 O GLU B 79 7.277 6.929 -7.120 1.00 0.00 O ATOM 1892 CB GLU B 79 10.391 7.591 -7.949 1.00 0.00 C ATOM 1893 CG GLU B 79 11.350 8.723 -8.261 1.00 0.00 C ATOM 1894 CD GLU B 79 12.104 8.500 -9.555 1.00 0.00 C ATOM 1895 OE1 GLU B 79 11.553 8.816 -10.632 1.00 0.00 O ATOM 1896 OE2 GLU B 79 13.251 8.014 -9.509 1.00 0.00 O ATOM 0 H GLU B 79 11.201 7.749 -5.613 1.00 0.00 H new ATOM 0 HA GLU B 79 8.957 8.829 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU B 79 10.965 6.690 -7.735 1.00 0.00 H new ATOM 0 HB3 GLU B 79 9.790 7.383 -8.834 1.00 0.00 H new ATOM 0 HG2 GLU B 79 10.795 9.659 -8.324 1.00 0.00 H new ATOM 0 HG3 GLU B 79 12.062 8.829 -7.442 1.00 0.00 H new ATOM 1903 N ILE B 80 8.822 5.647 -6.094 1.00 0.00 N ATOM 1904 CA ILE B 80 7.936 4.505 -5.902 1.00 0.00 C ATOM 1905 C ILE B 80 6.737 4.888 -5.039 1.00 0.00 C ATOM 1906 O ILE B 80 5.590 4.717 -5.448 1.00 0.00 O ATOM 1907 CB ILE B 80 8.692 3.324 -5.249 1.00 0.00 C ATOM 1908 CG1 ILE B 80 9.761 2.789 -6.206 1.00 0.00 C ATOM 1909 CG2 ILE B 80 7.729 2.214 -4.846 1.00 0.00 C ATOM 1910 CD1 ILE B 80 10.644 1.720 -5.599 1.00 0.00 C ATOM 0 H ILE B 80 9.770 5.502 -5.746 1.00 0.00 H new ATOM 0 HA ILE B 80 7.579 4.194 -6.884 1.00 0.00 H new ATOM 0 HB ILE B 80 9.180 3.687 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE B 80 9.272 2.384 -7.092 1.00 0.00 H new ATOM 0 HG13 ILE B 80 10.386 3.618 -6.538 1.00 0.00 H new ATOM 0 HG21 ILE B 80 8.287 1.396 -4.390 1.00 0.00 H new ATOM 0 HG22 ILE B 80 7.004 2.603 -4.130 1.00 0.00 H new ATOM 0 HG23 ILE B 80 7.206 1.848 -5.729 1.00 0.00 H new ATOM 0 HD11 ILE B 80 11.376 1.391 -6.337 1.00 0.00 H new ATOM 0 HD12 ILE B 80 11.162 2.126 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE B 80 10.031 0.872 -5.293 1.00 0.00 H new ATOM 1922 N ILE B 81 7.015 5.432 -3.863 1.00 0.00 N ATOM 1923 CA ILE B 81 5.970 5.801 -2.917 1.00 0.00 C ATOM 1924 C ILE B 81 5.105 6.941 -3.461 1.00 0.00 C ATOM 1925 O ILE B 81 3.894 6.965 -3.243 1.00 0.00 O ATOM 1926 CB ILE B 81 6.570 6.200 -1.546 1.00 0.00 C ATOM 1927 CG1 ILE B 81 7.329 5.019 -0.928 1.00 0.00 C ATOM 1928 CG2 ILE B 81 5.484 6.685 -0.596 1.00 0.00 C ATOM 1929 CD1 ILE B 81 6.462 3.805 -0.663 1.00 0.00 C ATOM 0 H ILE B 81 7.962 5.629 -3.539 1.00 0.00 H new ATOM 0 HA ILE B 81 5.338 4.924 -2.777 1.00 0.00 H new ATOM 0 HB ILE B 81 7.270 7.019 -1.710 1.00 0.00 H new ATOM 0 HG12 ILE B 81 8.143 4.734 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE B 81 7.783 5.341 0.009 1.00 0.00 H new ATOM 0 HG21 ILE B 81 5.932 6.959 0.359 1.00 0.00 H new ATOM 0 HG22 ILE B 81 4.986 7.554 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE B 81 4.755 5.890 -0.440 1.00 0.00 H new ATOM 0 HD11 ILE B 81 7.070 3.012 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE B 81 5.663 4.073 0.028 1.00 0.00 H new ATOM 0 HD13 ILE B 81 6.029 3.456 -1.600 1.00 0.00 H new ATOM 1941 N LYS B 82 5.723 7.871 -4.182 1.00 0.00 N ATOM 1942 CA LYS B 82 4.994 8.996 -4.759 1.00 0.00 C ATOM 1943 C LYS B 82 3.951 8.506 -5.760 1.00 0.00 C ATOM 1944 O LYS B 82 2.785 8.900 -5.703 1.00 0.00 O ATOM 1945 CB LYS B 82 5.961 9.966 -5.445 1.00 0.00 C ATOM 1946 CG LYS B 82 5.305 11.239 -5.957 1.00 0.00 C ATOM 1947 CD LYS B 82 4.717 12.062 -4.822 1.00 0.00 C ATOM 1948 CE LYS B 82 4.074 13.340 -5.334 1.00 0.00 C ATOM 1949 NZ LYS B 82 5.060 14.237 -5.992 1.00 0.00 N ATOM 0 H LYS B 82 6.724 7.869 -4.380 1.00 0.00 H new ATOM 0 HA LYS B 82 4.483 9.519 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS B 82 6.750 10.234 -4.742 1.00 0.00 H new ATOM 0 HB3 LYS B 82 6.439 9.455 -6.281 1.00 0.00 H new ATOM 0 HG2 LYS B 82 6.040 11.836 -6.497 1.00 0.00 H new ATOM 0 HG3 LYS B 82 4.518 10.983 -6.667 1.00 0.00 H new ATOM 0 HD2 LYS B 82 3.975 11.469 -4.288 1.00 0.00 H new ATOM 0 HD3 LYS B 82 5.501 12.310 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS B 82 3.284 13.089 -6.042 1.00 0.00 H new ATOM 0 HE3 LYS B 82 3.603 13.866 -4.504 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 4.637 15.177 -6.128 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 5.906 14.321 -5.393 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 5.327 13.841 -6.916 1.00 0.00 H new ATOM 1963 N LYS B 83 4.374 7.634 -6.665 1.00 0.00 N ATOM 1964 CA LYS B 83 3.480 7.084 -7.676 1.00 0.00 C ATOM 1965 C LYS B 83 2.474 6.132 -7.030 1.00 0.00 C ATOM 1966 O LYS B 83 1.354 5.959 -7.518 1.00 0.00 O ATOM 1967 CB LYS B 83 4.294 6.365 -8.753 1.00 0.00 C ATOM 1968 CG LYS B 83 3.468 5.869 -9.930 1.00 0.00 C ATOM 1969 CD LYS B 83 4.351 5.305 -11.033 1.00 0.00 C ATOM 1970 CE LYS B 83 5.141 4.095 -10.561 1.00 0.00 C ATOM 1971 NZ LYS B 83 6.060 3.592 -11.613 1.00 0.00 N ATOM 0 H LYS B 83 5.333 7.291 -6.720 1.00 0.00 H new ATOM 0 HA LYS B 83 2.926 7.897 -8.145 1.00 0.00 H new ATOM 0 HB2 LYS B 83 5.064 7.042 -9.123 1.00 0.00 H new ATOM 0 HB3 LYS B 83 4.806 5.516 -8.300 1.00 0.00 H new ATOM 0 HG2 LYS B 83 2.773 5.101 -9.590 1.00 0.00 H new ATOM 0 HG3 LYS B 83 2.868 6.689 -10.326 1.00 0.00 H new ATOM 0 HD2 LYS B 83 3.733 5.025 -11.886 1.00 0.00 H new ATOM 0 HD3 LYS B 83 5.039 6.077 -11.378 1.00 0.00 H new ATOM 0 HE2 LYS B 83 5.715 4.360 -9.673 1.00 0.00 H new ATOM 0 HE3 LYS B 83 4.452 3.302 -10.271 1.00 0.00 H new ATOM 0 HZ1 LYS B 83 6.581 2.767 -11.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 83 5.510 3.316 -12.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 83 6.734 4.341 -11.872 1.00 0.00 H new ATOM 1985 N PHE B 84 2.889 5.527 -5.925 1.00 0.00 N ATOM 1986 CA PHE B 84 2.025 4.656 -5.144 1.00 0.00 C ATOM 1987 C PHE B 84 0.871 5.464 -4.550 1.00 0.00 C ATOM 1988 O PHE B 84 -0.296 5.109 -4.713 1.00 0.00 O ATOM 1989 CB PHE B 84 2.854 3.986 -4.043 1.00 0.00 C ATOM 1990 CG PHE B 84 2.143 2.908 -3.275 1.00 0.00 C ATOM 1991 CD1 PHE B 84 2.211 2.875 -1.893 1.00 0.00 C ATOM 1992 CD2 PHE B 84 1.423 1.924 -3.931 1.00 0.00 C ATOM 1993 CE1 PHE B 84 1.577 1.879 -1.179 1.00 0.00 C ATOM 1994 CE2 PHE B 84 0.784 0.927 -3.220 1.00 0.00 C ATOM 1995 CZ PHE B 84 0.863 0.905 -1.842 1.00 0.00 C ATOM 0 H PHE B 84 3.831 5.627 -5.547 1.00 0.00 H new ATOM 0 HA PHE B 84 1.599 3.882 -5.783 1.00 0.00 H new ATOM 0 HB2 PHE B 84 3.750 3.559 -4.494 1.00 0.00 H new ATOM 0 HB3 PHE B 84 3.184 4.752 -3.342 1.00 0.00 H new ATOM 0 HD1 PHE B 84 2.767 3.638 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE B 84 1.360 1.936 -5.009 1.00 0.00 H new ATOM 0 HE1 PHE B 84 1.640 1.863 -0.101 1.00 0.00 H new ATOM 0 HE2 PHE B 84 0.223 0.166 -3.742 1.00 0.00 H new ATOM 0 HZ PHE B 84 0.366 0.125 -1.284 1.00 0.00 H new ATOM 2005 N LYS B 85 1.208 6.569 -3.885 1.00 0.00 N ATOM 2006 CA LYS B 85 0.209 7.486 -3.339 1.00 0.00 C ATOM 2007 C LYS B 85 -0.697 8.030 -4.441 1.00 0.00 C ATOM 2008 O LYS B 85 -1.882 8.278 -4.215 1.00 0.00 O ATOM 2009 CB LYS B 85 0.886 8.651 -2.613 1.00 0.00 C ATOM 2010 CG LYS B 85 1.644 8.250 -1.357 1.00 0.00 C ATOM 2011 CD LYS B 85 2.355 9.447 -0.744 1.00 0.00 C ATOM 2012 CE LYS B 85 3.087 9.076 0.535 1.00 0.00 C ATOM 2013 NZ LYS B 85 3.910 10.203 1.046 1.00 0.00 N ATOM 0 H LYS B 85 2.172 6.852 -3.711 1.00 0.00 H new ATOM 0 HA LYS B 85 -0.400 6.926 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS B 85 1.577 9.139 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS B 85 0.128 9.387 -2.346 1.00 0.00 H new ATOM 0 HG2 LYS B 85 0.952 7.823 -0.631 1.00 0.00 H new ATOM 0 HG3 LYS B 85 2.371 7.475 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS B 85 3.065 9.855 -1.463 1.00 0.00 H new ATOM 0 HD3 LYS B 85 1.629 10.232 -0.532 1.00 0.00 H new ATOM 0 HE2 LYS B 85 2.364 8.780 1.295 1.00 0.00 H new ATOM 0 HE3 LYS B 85 3.727 8.213 0.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 4.472 9.881 1.860 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 4.548 10.536 0.295 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 3.287 10.982 1.342 1.00 0.00 H new ATOM 2027 N LYS B 86 -0.129 8.210 -5.629 1.00 0.00 N ATOM 2028 CA LYS B 86 -0.880 8.701 -6.779 1.00 0.00 C ATOM 2029 C LYS B 86 -1.966 7.705 -7.183 1.00 0.00 C ATOM 2030 O LYS B 86 -3.113 8.086 -7.425 1.00 0.00 O ATOM 2031 CB LYS B 86 0.071 8.965 -7.953 1.00 0.00 C ATOM 2032 CG LYS B 86 -0.628 9.349 -9.250 1.00 0.00 C ATOM 2033 CD LYS B 86 -1.461 10.611 -9.096 1.00 0.00 C ATOM 2034 CE LYS B 86 -2.170 10.965 -10.392 1.00 0.00 C ATOM 2035 NZ LYS B 86 -3.069 9.874 -10.851 1.00 0.00 N ATOM 0 H LYS B 86 0.855 8.022 -5.821 1.00 0.00 H new ATOM 0 HA LYS B 86 -1.366 9.637 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS B 86 0.760 9.763 -7.675 1.00 0.00 H new ATOM 0 HB3 LYS B 86 0.671 8.072 -8.128 1.00 0.00 H new ATOM 0 HG2 LYS B 86 0.116 9.499 -10.032 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -1.269 8.529 -9.573 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -2.196 10.470 -8.304 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -0.819 11.438 -8.792 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -2.750 11.877 -10.251 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -1.430 11.174 -11.165 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -3.715 10.240 -11.579 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -2.500 9.100 -11.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -3.622 9.517 -10.045 1.00 0.00 H new ATOM 2049 N ASP B 87 -1.605 6.429 -7.239 1.00 0.00 N ATOM 2050 CA ASP B 87 -2.560 5.387 -7.604 1.00 0.00 C ATOM 2051 C ASP B 87 -3.605 5.228 -6.508 1.00 0.00 C ATOM 2052 O ASP B 87 -4.784 4.999 -6.784 1.00 0.00 O ATOM 2053 CB ASP B 87 -1.847 4.054 -7.849 1.00 0.00 C ATOM 2054 CG ASP B 87 -2.789 2.983 -8.371 1.00 0.00 C ATOM 2055 OD1 ASP B 87 -3.051 2.001 -7.647 1.00 0.00 O ATOM 2056 OD2 ASP B 87 -3.268 3.117 -9.517 1.00 0.00 O ATOM 0 H ASP B 87 -0.664 6.091 -7.038 1.00 0.00 H new ATOM 0 HA ASP B 87 -3.055 5.685 -8.528 1.00 0.00 H new ATOM 0 HB2 ASP B 87 -1.038 4.203 -8.564 1.00 0.00 H new ATOM 0 HB3 ASP B 87 -1.391 3.712 -6.920 1.00 0.00 H new ATOM 2061 N LEU B 88 -3.159 5.373 -5.263 1.00 0.00 N ATOM 2062 CA LEU B 88 -4.047 5.309 -4.108 1.00 0.00 C ATOM 2063 C LEU B 88 -5.074 6.434 -4.155 1.00 0.00 C ATOM 2064 O LEU B 88 -6.250 6.222 -3.864 1.00 0.00 O ATOM 2065 CB LEU B 88 -3.239 5.399 -2.811 1.00 0.00 C ATOM 2066 CG LEU B 88 -2.248 4.258 -2.577 1.00 0.00 C ATOM 2067 CD1 LEU B 88 -1.380 4.548 -1.363 1.00 0.00 C ATOM 2068 CD2 LEU B 88 -2.984 2.938 -2.407 1.00 0.00 C ATOM 0 H LEU B 88 -2.180 5.537 -5.028 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.572 4.354 -4.136 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.690 6.341 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.933 5.433 -1.971 1.00 0.00 H new ATOM 0 HG LEU B 88 -1.601 4.179 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.681 3.726 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -0.825 5.472 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -2.012 4.655 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -2.263 2.138 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -3.656 3.004 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -3.562 2.725 -3.306 1.00 0.00 H new ATOM 2080 N ALA B 89 -4.618 7.627 -4.523 1.00 0.00 N ATOM 2081 CA ALA B 89 -5.495 8.785 -4.640 1.00 0.00 C ATOM 2082 C ALA B 89 -6.586 8.532 -5.672 1.00 0.00 C ATOM 2083 O ALA B 89 -7.766 8.768 -5.417 1.00 0.00 O ATOM 2084 CB ALA B 89 -4.689 10.020 -5.013 1.00 0.00 C ATOM 0 H ALA B 89 -3.641 7.817 -4.746 1.00 0.00 H new ATOM 0 HA ALA B 89 -5.971 8.956 -3.674 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -5.356 10.878 -5.097 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -3.943 10.214 -4.242 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -4.189 9.854 -5.967 1.00 0.00 H new ATOM 2090 N ALA B 90 -6.179 8.034 -6.833 1.00 0.00 N ATOM 2091 CA ALA B 90 -7.117 7.714 -7.899 1.00 0.00 C ATOM 2092 C ALA B 90 -8.098 6.639 -7.449 1.00 0.00 C ATOM 2093 O ALA B 90 -9.309 6.766 -7.643 1.00 0.00 O ATOM 2094 CB ALA B 90 -6.366 7.257 -9.140 1.00 0.00 C ATOM 0 H ALA B 90 -5.203 7.843 -7.060 1.00 0.00 H new ATOM 0 HA ALA B 90 -7.683 8.614 -8.141 1.00 0.00 H new ATOM 0 HB1 ALA B 90 -7.079 7.021 -9.930 1.00 0.00 H new ATOM 0 HB2 ALA B 90 -5.702 8.053 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA B 90 -5.779 6.370 -8.904 1.00 0.00 H new ATOM 2100 N MET B 91 -7.568 5.598 -6.819 1.00 0.00 N ATOM 2101 CA MET B 91 -8.373 4.464 -6.384 1.00 0.00 C ATOM 2102 C MET B 91 -9.386 4.901 -5.329 1.00 0.00 C ATOM 2103 O MET B 91 -10.533 4.452 -5.330 1.00 0.00 O ATOM 2104 CB MET B 91 -7.468 3.367 -5.826 1.00 0.00 C ATOM 2105 CG MET B 91 -8.052 1.972 -5.947 1.00 0.00 C ATOM 2106 SD MET B 91 -8.284 1.468 -7.663 1.00 0.00 S ATOM 2107 CE MET B 91 -8.812 -0.231 -7.458 1.00 0.00 C ATOM 0 H MET B 91 -6.576 5.516 -6.597 1.00 0.00 H new ATOM 0 HA MET B 91 -8.918 4.072 -7.242 1.00 0.00 H new ATOM 0 HB2 MET B 91 -6.512 3.397 -6.348 1.00 0.00 H new ATOM 0 HB3 MET B 91 -7.264 3.576 -4.776 1.00 0.00 H new ATOM 0 HG2 MET B 91 -7.393 1.261 -5.449 1.00 0.00 H new ATOM 0 HG3 MET B 91 -9.010 1.936 -5.428 1.00 0.00 H new ATOM 0 HE1 MET B 91 -9.401 -0.536 -8.323 1.00 0.00 H new ATOM 0 HE2 MET B 91 -7.938 -0.876 -7.369 1.00 0.00 H new ATOM 0 HE3 MET B 91 -9.420 -0.317 -6.557 1.00 0.00 H new ATOM 2117 N LEU B 92 -8.951 5.789 -4.439 1.00 0.00 N ATOM 2118 CA LEU B 92 -9.823 6.369 -3.420 1.00 0.00 C ATOM 2119 C LEU B 92 -10.983 7.120 -4.070 1.00 0.00 C ATOM 2120 O LEU B 92 -12.123 7.053 -3.610 1.00 0.00 O ATOM 2121 CB LEU B 92 -9.017 7.321 -2.530 1.00 0.00 C ATOM 2122 CG LEU B 92 -9.832 8.126 -1.516 1.00 0.00 C ATOM 2123 CD1 LEU B 92 -10.562 7.201 -0.556 1.00 0.00 C ATOM 2124 CD2 LEU B 92 -8.931 9.084 -0.752 1.00 0.00 C ATOM 0 H LEU B 92 -7.989 6.126 -4.403 1.00 0.00 H new ATOM 0 HA LEU B 92 -10.232 5.563 -2.810 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -8.270 6.740 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -8.476 8.018 -3.170 1.00 0.00 H new ATOM 0 HG LEU B 92 -10.576 8.708 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -11.135 7.795 0.156 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -11.238 6.555 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -9.837 6.589 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -9.526 9.649 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -8.165 8.518 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -8.456 9.772 -1.451 1.00 0.00 H new ATOM 2136 N ARG B 93 -10.688 7.820 -5.154 1.00 0.00 N ATOM 2137 CA ARG B 93 -11.701 8.589 -5.862 1.00 0.00 C ATOM 2138 C ARG B 93 -12.671 7.672 -6.602 1.00 0.00 C ATOM 2139 O ARG B 93 -13.799 8.063 -6.908 1.00 0.00 O ATOM 2140 CB ARG B 93 -11.039 9.580 -6.818 1.00 0.00 C ATOM 2141 CG ARG B 93 -10.248 10.654 -6.090 1.00 0.00 C ATOM 2142 CD ARG B 93 -9.515 11.576 -7.046 1.00 0.00 C ATOM 2143 NE ARG B 93 -8.755 12.596 -6.327 1.00 0.00 N ATOM 2144 CZ ARG B 93 -7.661 13.186 -6.801 1.00 0.00 C ATOM 2145 NH1 ARG B 93 -7.198 12.867 -8.002 1.00 0.00 N ATOM 2146 NH2 ARG B 93 -7.028 14.096 -6.068 1.00 0.00 N ATOM 0 H ARG B 93 -9.755 7.872 -5.563 1.00 0.00 H new ATOM 0 HA ARG B 93 -12.280 9.152 -5.130 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -10.375 9.040 -7.493 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -11.805 10.052 -7.434 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -10.924 11.241 -5.468 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -9.529 10.182 -5.421 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -8.841 10.992 -7.672 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -10.232 12.056 -7.712 1.00 0.00 H new ATOM 0 HE ARG B 93 -9.084 12.873 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -7.681 12.167 -8.565 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -6.359 13.321 -8.362 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -7.381 14.341 -5.143 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -6.189 14.549 -6.430 1.00 0.00 H new ATOM 2160 N ILE B 94 -12.242 6.449 -6.887 1.00 0.00 N ATOM 2161 CA ILE B 94 -13.146 5.462 -7.459 1.00 0.00 C ATOM 2162 C ILE B 94 -14.036 4.878 -6.360 1.00 0.00 C ATOM 2163 O ILE B 94 -15.168 4.472 -6.620 1.00 0.00 O ATOM 2164 CB ILE B 94 -12.402 4.325 -8.184 1.00 0.00 C ATOM 2165 CG1 ILE B 94 -11.251 4.885 -9.020 1.00 0.00 C ATOM 2166 CG2 ILE B 94 -13.372 3.568 -9.084 1.00 0.00 C ATOM 2167 CD1 ILE B 94 -10.385 3.817 -9.649 1.00 0.00 C ATOM 0 H ILE B 94 -11.288 6.121 -6.734 1.00 0.00 H new ATOM 0 HA ILE B 94 -13.754 5.976 -8.204 1.00 0.00 H new ATOM 0 HB ILE B 94 -11.992 3.644 -7.438 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -11.659 5.520 -9.806 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -10.629 5.520 -8.388 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -12.842 2.764 -9.595 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -14.175 3.146 -8.480 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -13.793 4.251 -9.821 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -9.589 4.287 -10.227 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -9.947 3.196 -8.867 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -10.993 3.196 -10.307 1.00 0.00 H new ATOM 2179 N ILE B 95 -13.516 4.850 -5.128 1.00 0.00 N ATOM 2180 CA ILE B 95 -14.327 4.512 -3.958 1.00 0.00 C ATOM 2181 C ILE B 95 -15.456 5.520 -3.823 1.00 0.00 C ATOM 2182 O ILE B 95 -16.592 5.172 -3.499 1.00 0.00 O ATOM 2183 CB ILE B 95 -13.507 4.509 -2.651 1.00 0.00 C ATOM 2184 CG1 ILE B 95 -12.366 3.502 -2.731 1.00 0.00 C ATOM 2185 CG2 ILE B 95 -14.410 4.158 -1.479 1.00 0.00 C ATOM 2186 CD1 ILE B 95 -12.843 2.075 -2.631 1.00 0.00 C ATOM 0 H ILE B 95 -12.540 5.057 -4.918 1.00 0.00 H new ATOM 0 HA ILE B 95 -14.714 3.505 -4.112 1.00 0.00 H new ATOM 0 HB ILE B 95 -13.086 5.504 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -11.832 3.638 -3.672 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -11.655 3.700 -1.929 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -13.827 4.157 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -15.209 4.895 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -14.842 3.170 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -11.989 1.401 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.353 1.928 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -13.533 1.864 -3.448 1.00 0.00 H new ATOM 2198 N ASN B 96 -15.130 6.777 -4.082 1.00 0.00 N ATOM 2199 CA ASN B 96 -16.132 7.829 -4.117 1.00 0.00 C ATOM 2200 C ASN B 96 -17.167 7.509 -5.183 1.00 0.00 C ATOM 2201 O ASN B 96 -18.367 7.589 -4.940 1.00 0.00 O ATOM 2202 CB ASN B 96 -15.489 9.190 -4.405 1.00 0.00 C ATOM 2203 CG ASN B 96 -14.481 9.603 -3.349 1.00 0.00 C ATOM 2204 OD1 ASN B 96 -14.587 9.216 -2.186 1.00 0.00 O ATOM 2205 ND2 ASN B 96 -13.503 10.404 -3.744 1.00 0.00 N ATOM 0 H ASN B 96 -14.179 7.093 -4.271 1.00 0.00 H new ATOM 0 HA ASN B 96 -16.615 7.881 -3.141 1.00 0.00 H new ATOM 0 HB2 ASN B 96 -14.996 9.155 -5.376 1.00 0.00 H new ATOM 0 HB3 ASN B 96 -16.269 9.948 -4.471 1.00 0.00 H new ATOM 0 HD21 ASN B 96 -12.803 10.722 -3.074 1.00 0.00 H new ATOM 0 HD22 ASN B 96 -13.450 10.702 -4.718 1.00 0.00 H new ATOM 2212 N ALA B 97 -16.687 7.089 -6.347 1.00 0.00 N ATOM 2213 CA ALA B 97 -17.555 6.750 -7.471 1.00 0.00 C ATOM 2214 C ALA B 97 -18.311 5.436 -7.245 1.00 0.00 C ATOM 2215 O ALA B 97 -19.052 4.982 -8.115 1.00 0.00 O ATOM 2216 CB ALA B 97 -16.738 6.672 -8.752 1.00 0.00 C ATOM 0 H ALA B 97 -15.692 6.974 -6.539 1.00 0.00 H new ATOM 0 HA ALA B 97 -18.301 7.540 -7.559 1.00 0.00 H new ATOM 0 HB1 ALA B 97 -17.392 6.419 -9.586 1.00 0.00 H new ATOM 0 HB2 ALA B 97 -16.265 7.636 -8.941 1.00 0.00 H new ATOM 0 HB3 ALA B 97 -15.970 5.906 -8.648 1.00 0.00 H new ATOM 2222 N ARG B 98 -18.116 4.820 -6.084 1.00 0.00 N ATOM 2223 CA ARG B 98 -18.836 3.597 -5.743 1.00 0.00 C ATOM 2224 C ARG B 98 -20.225 3.923 -5.209 1.00 0.00 C ATOM 2225 O ARG B 98 -21.113 3.066 -5.201 1.00 0.00 O ATOM 2226 CB ARG B 98 -18.077 2.785 -4.689 1.00 0.00 C ATOM 2227 CG ARG B 98 -16.732 2.241 -5.145 1.00 0.00 C ATOM 2228 CD ARG B 98 -16.878 1.171 -6.214 1.00 0.00 C ATOM 2229 NE ARG B 98 -16.952 1.730 -7.564 1.00 0.00 N ATOM 2230 CZ ARG B 98 -16.972 0.983 -8.668 1.00 0.00 C ATOM 2231 NH1 ARG B 98 -16.985 -0.342 -8.569 1.00 0.00 N ATOM 2232 NH2 ARG B 98 -16.984 1.556 -9.867 1.00 0.00 N ATOM 0 H ARG B 98 -17.469 5.145 -5.366 1.00 0.00 H new ATOM 0 HA ARG B 98 -18.923 3.006 -6.655 1.00 0.00 H new ATOM 0 HB2 ARG B 98 -17.920 3.413 -3.812 1.00 0.00 H new ATOM 0 HB3 ARG B 98 -18.703 1.950 -4.375 1.00 0.00 H new ATOM 0 HG2 ARG B 98 -16.124 3.058 -5.532 1.00 0.00 H new ATOM 0 HG3 ARG B 98 -16.200 1.826 -4.288 1.00 0.00 H new ATOM 0 HD2 ARG B 98 -16.033 0.486 -6.155 1.00 0.00 H new ATOM 0 HD3 ARG B 98 -17.777 0.586 -6.017 1.00 0.00 H new ATOM 0 HE ARG B 98 -16.990 2.744 -7.666 1.00 0.00 H new ATOM 0 HH11 ARG B 98 -16.980 -0.785 -7.650 1.00 0.00 H new ATOM 0 HH12 ARG B 98 -17.000 -0.916 -9.412 1.00 0.00 H new ATOM 0 HH21 ARG B 98 -16.978 2.573 -9.946 1.00 0.00 H new ATOM 0 HH22 ARG B 98 -16.999 0.979 -10.708 1.00 0.00 H new