USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=20 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 -147:sc= 0 (180deg=0) USER MOD Set 1.2: B 96 ASN : amide:sc= -0.356 K(o=-0.36,f=-2.3!) USER MOD Set 2.1: A 96 ASN : amide:sc= -0.361 K(o=-0.36,f=-2.5!) USER MOD Set 2.2: B 78 MET CE :methyl -145:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -105:sc= -0.572 (180deg=-1.56) USER MOD Single : A 57 THR OG1 : rot -47:sc= 1.15 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= 1.13 (180deg=0.982) USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0207) USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= -1.58! (180deg=-2.85!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -151:sc= -0.0222 (180deg=-1.24) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -166:sc= -1.51 (180deg=-2.34) USER MOD Single : B 46 MET CE :methyl -105:sc= -0.531 (180deg=-1.46) USER MOD Single : B 57 THR OG1 : rot -50:sc= 1.2 USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 74 LYS NZ :NH3+ -170:sc= 1.15 (180deg=1.03) USER MOD Single : B 75 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0134) USER MOD Single : B 82 LYS NZ :NH3+ -158:sc= -1.6! (180deg=-2.89!) USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 LYS NZ :NH3+ -151:sc= -0.0326 (180deg=-1.23) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 MET CE :methyl -166:sc= -1.41 (180deg=-2.3) USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 42 -9.451 10.857 -5.816 1.00 0.00 N ATOM 101 CA GLY A 42 -8.949 9.594 -6.299 1.00 0.00 C ATOM 102 C GLY A 42 -10.048 8.562 -6.424 1.00 0.00 C ATOM 103 O GLY A 42 -10.890 8.446 -5.527 1.00 0.00 O ATOM 0 HA2 GLY A 42 -8.475 9.739 -7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.180 9.225 -5.620 1.00 0.00 H new ATOM 107 N PRO A 43 -10.083 7.816 -7.540 1.00 0.00 N ATOM 108 CA PRO A 43 -11.049 6.733 -7.741 1.00 0.00 C ATOM 109 C PRO A 43 -10.848 5.591 -6.746 1.00 0.00 C ATOM 110 O PRO A 43 -9.899 5.615 -5.962 1.00 0.00 O ATOM 111 CB PRO A 43 -10.772 6.248 -9.169 1.00 0.00 C ATOM 112 CG PRO A 43 -9.977 7.331 -9.810 1.00 0.00 C ATOM 113 CD PRO A 43 -9.201 7.983 -8.705 1.00 0.00 C ATOM 0 HA PRO A 43 -12.073 7.075 -7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.221 5.307 -9.164 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.701 6.070 -9.710 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.309 6.927 -10.570 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.627 8.051 -10.307 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.235 7.502 -8.552 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.004 9.034 -8.915 1.00 0.00 H new ATOM 121 N ILE A 44 -11.718 4.589 -6.798 1.00 0.00 N ATOM 122 CA ILE A 44 -11.713 3.502 -5.813 1.00 0.00 C ATOM 123 C ILE A 44 -10.325 2.871 -5.637 1.00 0.00 C ATOM 124 O ILE A 44 -9.913 2.563 -4.515 1.00 0.00 O ATOM 125 CB ILE A 44 -12.737 2.408 -6.183 1.00 0.00 C ATOM 126 CG1 ILE A 44 -12.477 1.872 -7.595 1.00 0.00 C ATOM 127 CG2 ILE A 44 -14.152 2.957 -6.066 1.00 0.00 C ATOM 128 CD1 ILE A 44 -13.463 0.812 -8.032 1.00 0.00 C ATOM 0 H ILE A 44 -12.440 4.502 -7.513 1.00 0.00 H new ATOM 0 HA ILE A 44 -11.996 3.954 -4.863 1.00 0.00 H new ATOM 0 HB ILE A 44 -12.626 1.578 -5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.511 2.701 -8.301 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -11.469 1.459 -7.638 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -14.867 2.178 -6.329 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -14.332 3.284 -5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -14.271 3.803 -6.743 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.217 0.480 -9.041 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.413 -0.036 -7.348 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.471 1.227 -8.022 1.00 0.00 H new ATOM 140 N ARG A 45 -9.599 2.713 -6.740 1.00 0.00 N ATOM 141 CA ARG A 45 -8.261 2.125 -6.708 1.00 0.00 C ATOM 142 C ARG A 45 -7.322 2.973 -5.859 1.00 0.00 C ATOM 143 O ARG A 45 -6.583 2.461 -5.017 1.00 0.00 O ATOM 144 CB ARG A 45 -7.703 2.004 -8.126 1.00 0.00 C ATOM 145 CG ARG A 45 -8.620 1.249 -9.075 1.00 0.00 C ATOM 146 CD ARG A 45 -8.036 1.168 -10.475 1.00 0.00 C ATOM 147 NE ARG A 45 -8.945 0.507 -11.410 1.00 0.00 N ATOM 148 CZ ARG A 45 -8.708 0.367 -12.714 1.00 0.00 C ATOM 149 NH1 ARG A 45 -7.588 0.841 -13.248 1.00 0.00 N ATOM 150 NH2 ARG A 45 -9.596 -0.246 -13.483 1.00 0.00 N ATOM 0 H ARG A 45 -9.915 2.985 -7.671 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.336 1.132 -6.265 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.524 3.003 -8.524 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.738 1.499 -8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.790 0.242 -8.693 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.591 1.744 -9.114 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.814 2.173 -10.834 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.091 0.625 -10.443 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.817 0.128 -11.040 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.903 1.315 -12.659 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.413 0.731 -14.247 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.458 -0.609 -13.077 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.417 -0.355 -14.481 1.00 0.00 H new ATOM 164 N MET A 46 -7.377 4.278 -6.074 1.00 0.00 N ATOM 165 CA MET A 46 -6.534 5.210 -5.344 1.00 0.00 C ATOM 166 C MET A 46 -6.965 5.316 -3.888 1.00 0.00 C ATOM 167 O MET A 46 -6.146 5.599 -3.020 1.00 0.00 O ATOM 168 CB MET A 46 -6.560 6.586 -6.007 1.00 0.00 C ATOM 169 CG MET A 46 -5.603 6.711 -7.180 1.00 0.00 C ATOM 170 SD MET A 46 -5.771 8.276 -8.056 1.00 0.00 S ATOM 171 CE MET A 46 -5.349 9.423 -6.752 1.00 0.00 C ATOM 0 H MET A 46 -8.000 4.717 -6.752 1.00 0.00 H new ATOM 0 HA MET A 46 -5.513 4.828 -5.367 1.00 0.00 H new ATOM 0 HB2 MET A 46 -7.573 6.796 -6.351 1.00 0.00 H new ATOM 0 HB3 MET A 46 -6.312 7.344 -5.264 1.00 0.00 H new ATOM 0 HG2 MET A 46 -4.579 6.610 -6.820 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.779 5.890 -7.875 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.254 9.907 -6.386 1.00 0.00 H new ATOM 0 HE2 MET A 46 -4.870 8.884 -5.934 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.665 10.178 -7.139 1.00 0.00 H new ATOM 181 N VAL A 47 -8.248 5.082 -3.627 1.00 0.00 N ATOM 182 CA VAL A 47 -8.766 5.096 -2.262 1.00 0.00 C ATOM 183 C VAL A 47 -8.093 4.014 -1.427 1.00 0.00 C ATOM 184 O VAL A 47 -7.619 4.275 -0.323 1.00 0.00 O ATOM 185 CB VAL A 47 -10.295 4.888 -2.226 1.00 0.00 C ATOM 186 CG1 VAL A 47 -10.811 4.882 -0.793 1.00 0.00 C ATOM 187 CG2 VAL A 47 -10.996 5.963 -3.037 1.00 0.00 C ATOM 0 H VAL A 47 -8.947 4.881 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.543 6.078 -1.844 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.515 3.917 -2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.891 4.734 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.335 4.073 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.577 5.835 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.073 5.801 -3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.762 6.943 -2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.657 5.917 -4.072 1.00 0.00 H new ATOM 197 N LEU A 48 -8.036 2.805 -1.969 1.00 0.00 N ATOM 198 CA LEU A 48 -7.386 1.695 -1.285 1.00 0.00 C ATOM 199 C LEU A 48 -5.891 1.962 -1.127 1.00 0.00 C ATOM 200 O LEU A 48 -5.297 1.644 -0.094 1.00 0.00 O ATOM 201 CB LEU A 48 -7.621 0.384 -2.045 1.00 0.00 C ATOM 202 CG LEU A 48 -9.081 -0.077 -2.111 1.00 0.00 C ATOM 203 CD1 LEU A 48 -9.196 -1.375 -2.893 1.00 0.00 C ATOM 204 CD2 LEU A 48 -9.656 -0.249 -0.713 1.00 0.00 C ATOM 0 H LEU A 48 -8.431 2.568 -2.879 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.824 1.601 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.247 0.500 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.029 -0.401 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.657 0.691 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.240 -1.687 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.827 -1.222 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.603 -2.148 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.693 -0.577 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.076 -0.995 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.611 0.702 -0.182 1.00 0.00 H new ATOM 216 N ALA A 49 -5.295 2.569 -2.148 1.00 0.00 N ATOM 217 CA ALA A 49 -3.876 2.901 -2.124 1.00 0.00 C ATOM 218 C ALA A 49 -3.564 3.958 -1.064 1.00 0.00 C ATOM 219 O ALA A 49 -2.644 3.790 -0.261 1.00 0.00 O ATOM 220 CB ALA A 49 -3.426 3.376 -3.496 1.00 0.00 C ATOM 0 H ALA A 49 -5.775 2.842 -3.005 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.325 1.998 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.364 3.621 -3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.596 2.586 -4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.995 4.262 -3.779 1.00 0.00 H new ATOM 226 N ILE A 50 -4.338 5.041 -1.055 1.00 0.00 N ATOM 227 CA ILE A 50 -4.103 6.133 -0.116 1.00 0.00 C ATOM 228 C ILE A 50 -4.482 5.715 1.302 1.00 0.00 C ATOM 229 O ILE A 50 -3.935 6.230 2.277 1.00 0.00 O ATOM 230 CB ILE A 50 -4.868 7.425 -0.511 1.00 0.00 C ATOM 231 CG1 ILE A 50 -4.394 8.610 0.339 1.00 0.00 C ATOM 232 CG2 ILE A 50 -6.371 7.238 -0.363 1.00 0.00 C ATOM 233 CD1 ILE A 50 -5.016 9.934 -0.055 1.00 0.00 C ATOM 0 H ILE A 50 -5.128 5.185 -1.684 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.037 6.358 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.653 7.636 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.623 8.409 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.310 8.691 0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.882 8.158 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.702 6.425 -1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.607 6.996 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.632 10.723 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.765 10.160 -1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.099 9.873 0.051 1.00 0.00 H new ATOM 245 N LEU A 51 -5.411 4.772 1.417 1.00 0.00 N ATOM 246 CA LEU A 51 -5.796 4.261 2.719 1.00 0.00 C ATOM 247 C LEU A 51 -4.622 3.533 3.351 1.00 0.00 C ATOM 248 O LEU A 51 -4.220 3.856 4.465 1.00 0.00 O ATOM 249 CB LEU A 51 -6.987 3.312 2.626 1.00 0.00 C ATOM 250 CG LEU A 51 -7.600 2.946 3.977 1.00 0.00 C ATOM 251 CD1 LEU A 51 -8.548 4.037 4.446 1.00 0.00 C ATOM 252 CD2 LEU A 51 -8.310 1.613 3.903 1.00 0.00 C ATOM 0 H LEU A 51 -5.905 4.352 0.630 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.088 5.111 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.755 3.770 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.671 2.398 2.123 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.793 2.857 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.975 3.759 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.002 4.975 4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.349 4.161 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.738 1.374 4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.106 1.665 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.599 0.837 3.619 1.00 0.00 H new ATOM 264 N ALA A 52 -4.067 2.561 2.624 1.00 0.00 N ATOM 265 CA ALA A 52 -2.910 1.809 3.102 1.00 0.00 C ATOM 266 C ALA A 52 -1.765 2.751 3.420 1.00 0.00 C ATOM 267 O ALA A 52 -1.054 2.571 4.412 1.00 0.00 O ATOM 268 CB ALA A 52 -2.464 0.788 2.074 1.00 0.00 C ATOM 0 H ALA A 52 -4.401 2.278 1.703 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.203 1.281 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.601 0.242 2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.278 0.090 1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.192 1.297 1.150 1.00 0.00 H new ATOM 274 N PHE A 53 -1.597 3.752 2.565 1.00 0.00 N ATOM 275 CA PHE A 53 -0.644 4.820 2.803 1.00 0.00 C ATOM 276 C PHE A 53 -0.855 5.402 4.197 1.00 0.00 C ATOM 277 O PHE A 53 0.022 5.316 5.049 1.00 0.00 O ATOM 278 CB PHE A 53 -0.809 5.903 1.729 1.00 0.00 C ATOM 279 CG PHE A 53 -0.007 7.152 1.966 1.00 0.00 C ATOM 280 CD1 PHE A 53 1.368 7.152 1.810 1.00 0.00 C ATOM 281 CD2 PHE A 53 -0.636 8.331 2.335 1.00 0.00 C ATOM 282 CE1 PHE A 53 2.102 8.304 2.019 1.00 0.00 C ATOM 283 CE2 PHE A 53 0.093 9.485 2.546 1.00 0.00 C ATOM 284 CZ PHE A 53 1.464 9.471 2.388 1.00 0.00 C ATOM 0 H PHE A 53 -2.117 3.843 1.692 1.00 0.00 H new ATOM 0 HA PHE A 53 0.370 4.425 2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.526 5.484 0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.863 6.172 1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.873 6.242 1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.709 8.347 2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.175 8.291 1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.409 10.397 2.834 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.037 10.372 2.553 1.00 0.00 H new ATOM 294 N LEU A 54 -2.041 5.939 4.435 1.00 0.00 N ATOM 295 CA LEU A 54 -2.372 6.563 5.715 1.00 0.00 C ATOM 296 C LEU A 54 -2.330 5.560 6.873 1.00 0.00 C ATOM 297 O LEU A 54 -2.155 5.946 8.025 1.00 0.00 O ATOM 298 CB LEU A 54 -3.754 7.220 5.637 1.00 0.00 C ATOM 299 CG LEU A 54 -3.864 8.390 4.655 1.00 0.00 C ATOM 300 CD1 LEU A 54 -5.308 8.848 4.523 1.00 0.00 C ATOM 301 CD2 LEU A 54 -2.980 9.547 5.099 1.00 0.00 C ATOM 0 H LEU A 54 -2.800 5.957 3.754 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.617 7.323 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.484 6.461 5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.027 7.574 6.631 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.521 8.047 3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.363 9.680 3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.919 8.023 4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.678 9.170 5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.072 10.369 4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.292 9.885 6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.942 9.217 5.140 1.00 0.00 H new ATOM 313 N ARG A 55 -2.488 4.277 6.571 1.00 0.00 N ATOM 314 CA ARG A 55 -2.433 3.243 7.600 1.00 0.00 C ATOM 315 C ARG A 55 -1.009 3.040 8.096 1.00 0.00 C ATOM 316 O ARG A 55 -0.772 2.920 9.297 1.00 0.00 O ATOM 317 CB ARG A 55 -2.970 1.910 7.073 1.00 0.00 C ATOM 318 CG ARG A 55 -4.436 1.939 6.684 1.00 0.00 C ATOM 319 CD ARG A 55 -5.334 2.227 7.876 1.00 0.00 C ATOM 320 NE ARG A 55 -5.141 1.267 8.959 1.00 0.00 N ATOM 321 CZ ARG A 55 -6.038 1.026 9.912 1.00 0.00 C ATOM 322 NH1 ARG A 55 -7.216 1.637 9.895 1.00 0.00 N ATOM 323 NH2 ARG A 55 -5.759 0.162 10.876 1.00 0.00 N ATOM 0 H ARG A 55 -2.654 3.928 5.627 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.058 3.581 8.426 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.381 1.612 6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.823 1.145 7.836 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.593 2.699 5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.714 0.981 6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.133 3.233 8.245 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.376 2.207 7.557 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.263 0.748 8.987 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.438 2.296 9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.899 1.448 10.628 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.858 -0.317 10.887 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.445 -0.025 11.608 1.00 0.00 H new ATOM 337 N PHE A 56 -0.063 2.998 7.170 1.00 0.00 N ATOM 338 CA PHE A 56 1.319 2.706 7.518 1.00 0.00 C ATOM 339 C PHE A 56 2.150 3.973 7.686 1.00 0.00 C ATOM 340 O PHE A 56 3.245 3.929 8.247 1.00 0.00 O ATOM 341 CB PHE A 56 1.944 1.784 6.470 1.00 0.00 C ATOM 342 CG PHE A 56 1.514 0.353 6.617 1.00 0.00 C ATOM 343 CD1 PHE A 56 2.265 -0.530 7.375 1.00 0.00 C ATOM 344 CD2 PHE A 56 0.358 -0.108 6.007 1.00 0.00 C ATOM 345 CE1 PHE A 56 1.872 -1.846 7.523 1.00 0.00 C ATOM 346 CE2 PHE A 56 -0.039 -1.423 6.150 1.00 0.00 C ATOM 347 CZ PHE A 56 0.719 -2.293 6.910 1.00 0.00 C ATOM 0 H PHE A 56 -0.226 3.162 6.176 1.00 0.00 H new ATOM 0 HA PHE A 56 1.315 2.198 8.482 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.674 2.138 5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.030 1.841 6.545 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.169 -0.186 7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.239 0.569 5.413 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.466 -2.524 8.118 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.941 -1.771 5.668 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.410 -3.321 7.024 1.00 0.00 H new ATOM 357 N THR A 57 1.638 5.100 7.214 1.00 0.00 N ATOM 358 CA THR A 57 2.365 6.359 7.363 1.00 0.00 C ATOM 359 C THR A 57 1.814 7.192 8.513 1.00 0.00 C ATOM 360 O THR A 57 2.522 8.018 9.093 1.00 0.00 O ATOM 361 CB THR A 57 2.342 7.205 6.072 1.00 0.00 C ATOM 362 OG1 THR A 57 1.002 7.593 5.756 1.00 0.00 O ATOM 363 CG2 THR A 57 2.931 6.432 4.902 1.00 0.00 C ATOM 0 H THR A 57 0.741 5.173 6.734 1.00 0.00 H new ATOM 0 HA THR A 57 3.397 6.083 7.579 1.00 0.00 H new ATOM 0 HB THR A 57 2.948 8.094 6.246 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.412 6.813 5.821 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.902 7.051 4.005 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.964 6.165 5.126 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.349 5.525 4.735 1.00 0.00 H new ATOM 371 N ALA A 58 0.562 6.955 8.855 1.00 0.00 N ATOM 372 CA ALA A 58 -0.110 7.740 9.876 1.00 0.00 C ATOM 373 C ALA A 58 -0.807 6.834 10.878 1.00 0.00 C ATOM 374 O ALA A 58 -0.528 5.635 10.937 1.00 0.00 O ATOM 375 CB ALA A 58 -1.105 8.696 9.234 1.00 0.00 C ATOM 0 H ALA A 58 -0.013 6.222 8.440 1.00 0.00 H new ATOM 0 HA ALA A 58 0.638 8.325 10.412 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.602 9.279 10.010 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.578 9.368 8.556 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.848 8.127 8.675 1.00 0.00 H new ATOM 381 N ILE A 59 -1.704 7.403 11.667 1.00 0.00 N ATOM 382 CA ILE A 59 -2.438 6.630 12.656 1.00 0.00 C ATOM 383 C ILE A 59 -3.756 6.150 12.089 1.00 0.00 C ATOM 384 O ILE A 59 -3.966 4.955 11.864 1.00 0.00 O ATOM 385 CB ILE A 59 -2.689 7.439 13.951 1.00 0.00 C ATOM 386 CG1 ILE A 59 -1.363 7.931 14.547 1.00 0.00 C ATOM 387 CG2 ILE A 59 -3.448 6.597 14.967 1.00 0.00 C ATOM 388 CD1 ILE A 59 -0.405 6.818 14.923 1.00 0.00 C ATOM 0 H ILE A 59 -1.941 8.395 11.642 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.820 5.769 12.911 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.296 8.308 13.699 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.875 8.589 13.828 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.575 8.529 15.433 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.616 7.182 15.871 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.407 6.296 14.546 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.865 5.709 15.212 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.507 7.248 15.336 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.872 6.172 15.667 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.161 6.233 14.036 1.00 0.00 H new ATOM 400 N LYS A 60 -4.617 7.095 11.850 1.00 0.00 N ATOM 401 CA LYS A 60 -5.949 6.819 11.335 1.00 0.00 C ATOM 402 C LYS A 60 -6.272 7.721 10.146 1.00 0.00 C ATOM 403 O LYS A 60 -6.134 8.945 10.230 1.00 0.00 O ATOM 404 CB LYS A 60 -7.001 7.006 12.433 1.00 0.00 C ATOM 405 CG LYS A 60 -8.409 6.655 11.979 1.00 0.00 C ATOM 406 CD LYS A 60 -9.417 6.780 13.108 1.00 0.00 C ATOM 407 CE LYS A 60 -10.823 6.458 12.627 1.00 0.00 C ATOM 408 NZ LYS A 60 -11.825 6.559 13.719 1.00 0.00 N ATOM 0 H LYS A 60 -4.426 8.085 12.003 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.969 5.782 10.999 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.737 6.386 13.290 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.983 8.042 12.772 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.700 7.311 11.159 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.422 5.636 11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.144 6.105 13.919 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.391 7.792 13.512 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.095 7.140 11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.841 5.451 12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.769 6.331 13.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.581 5.890 14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.827 7.527 14.100 1.00 0.00 H new ATOM 422 N PRO A 61 -6.684 7.118 9.018 1.00 0.00 N ATOM 423 CA PRO A 61 -7.109 7.858 7.822 1.00 0.00 C ATOM 424 C PRO A 61 -8.351 8.708 8.077 1.00 0.00 C ATOM 425 O PRO A 61 -9.183 8.377 8.926 1.00 0.00 O ATOM 426 CB PRO A 61 -7.432 6.757 6.806 1.00 0.00 C ATOM 427 CG PRO A 61 -6.748 5.538 7.317 1.00 0.00 C ATOM 428 CD PRO A 61 -6.752 5.663 8.810 1.00 0.00 C ATOM 0 HA PRO A 61 -6.339 8.554 7.489 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.508 6.600 6.725 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.073 7.022 5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.269 4.635 6.999 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.730 5.471 6.933 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.653 5.234 9.249 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.902 5.150 9.261 1.00 0.00 H new ATOM 436 N SER A 62 -8.463 9.799 7.332 1.00 0.00 N ATOM 437 CA SER A 62 -9.590 10.715 7.451 1.00 0.00 C ATOM 438 C SER A 62 -10.892 10.045 7.017 1.00 0.00 C ATOM 439 O SER A 62 -10.908 9.201 6.114 1.00 0.00 O ATOM 440 CB SER A 62 -9.325 11.954 6.598 1.00 0.00 C ATOM 441 OG SER A 62 -8.045 12.495 6.884 1.00 0.00 O ATOM 0 H SER A 62 -7.777 10.074 6.629 1.00 0.00 H new ATOM 0 HA SER A 62 -9.697 11.005 8.496 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.388 11.694 5.541 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.093 12.704 6.788 1.00 0.00 H new ATOM 0 HG SER A 62 -7.893 13.287 6.327 1.00 0.00 H new ATOM 447 N LEU A 63 -11.985 10.453 7.663 1.00 0.00 N ATOM 448 CA LEU A 63 -13.293 9.832 7.473 1.00 0.00 C ATOM 449 C LEU A 63 -13.805 10.000 6.047 1.00 0.00 C ATOM 450 O LEU A 63 -14.691 9.262 5.617 1.00 0.00 O ATOM 451 CB LEU A 63 -14.306 10.414 8.460 1.00 0.00 C ATOM 452 CG LEU A 63 -13.972 10.207 9.939 1.00 0.00 C ATOM 453 CD1 LEU A 63 -15.042 10.833 10.818 1.00 0.00 C ATOM 454 CD2 LEU A 63 -13.824 8.726 10.255 1.00 0.00 C ATOM 0 H LEU A 63 -11.987 11.223 8.332 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.174 8.765 7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -14.398 11.484 8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -15.281 9.970 8.259 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.021 10.698 10.147 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -14.789 10.677 11.867 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.100 11.902 10.614 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -16.005 10.370 10.604 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.587 8.601 11.312 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.758 8.211 10.030 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.021 8.303 9.651 1.00 0.00 H new ATOM 466 N GLY A 64 -13.259 10.975 5.328 1.00 0.00 N ATOM 467 CA GLY A 64 -13.596 11.146 3.927 1.00 0.00 C ATOM 468 C GLY A 64 -13.178 9.945 3.105 1.00 0.00 C ATOM 469 O GLY A 64 -13.956 9.422 2.302 1.00 0.00 O ATOM 0 H GLY A 64 -12.588 11.651 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.670 11.301 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.107 12.040 3.541 1.00 0.00 H new ATOM 473 N LEU A 65 -11.952 9.486 3.332 1.00 0.00 N ATOM 474 CA LEU A 65 -11.443 8.303 2.657 1.00 0.00 C ATOM 475 C LEU A 65 -12.203 7.076 3.134 1.00 0.00 C ATOM 476 O LEU A 65 -12.522 6.192 2.349 1.00 0.00 O ATOM 477 CB LEU A 65 -9.937 8.117 2.911 1.00 0.00 C ATOM 478 CG LEU A 65 -9.004 9.154 2.264 1.00 0.00 C ATOM 479 CD1 LEU A 65 -9.323 9.323 0.786 1.00 0.00 C ATOM 480 CD2 LEU A 65 -9.075 10.491 2.989 1.00 0.00 C ATOM 0 H LEU A 65 -11.293 9.918 3.980 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.589 8.433 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.768 8.129 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.649 7.128 2.554 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.983 8.782 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.650 10.062 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.195 8.369 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.353 9.660 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.404 11.202 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.096 10.872 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.776 10.357 4.029 1.00 0.00 H new ATOM 492 N ILE A 66 -12.509 7.052 4.427 1.00 0.00 N ATOM 493 CA ILE A 66 -13.271 5.959 5.028 1.00 0.00 C ATOM 494 C ILE A 66 -14.667 5.863 4.410 1.00 0.00 C ATOM 495 O ILE A 66 -15.213 4.772 4.237 1.00 0.00 O ATOM 496 CB ILE A 66 -13.395 6.154 6.558 1.00 0.00 C ATOM 497 CG1 ILE A 66 -12.006 6.241 7.197 1.00 0.00 C ATOM 498 CG2 ILE A 66 -14.207 5.029 7.191 1.00 0.00 C ATOM 499 CD1 ILE A 66 -11.179 4.979 7.053 1.00 0.00 C ATOM 0 H ILE A 66 -12.239 7.783 5.085 1.00 0.00 H new ATOM 0 HA ILE A 66 -12.732 5.032 4.830 1.00 0.00 H new ATOM 0 HB ILE A 66 -13.923 7.090 6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.462 7.072 6.748 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.119 6.470 8.257 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.278 5.192 8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -15.208 5.015 6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -13.717 4.074 7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -10.210 5.122 7.532 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.699 4.147 7.528 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.032 4.759 5.996 1.00 0.00 H new ATOM 511 N ASN A 67 -15.237 7.012 4.072 1.00 0.00 N ATOM 512 CA ASN A 67 -16.558 7.061 3.454 1.00 0.00 C ATOM 513 C ASN A 67 -16.516 6.504 2.037 1.00 0.00 C ATOM 514 O ASN A 67 -17.409 5.764 1.624 1.00 0.00 O ATOM 515 CB ASN A 67 -17.088 8.498 3.433 1.00 0.00 C ATOM 516 CG ASN A 67 -18.468 8.602 2.806 1.00 0.00 C ATOM 517 OD1 ASN A 67 -18.606 8.799 1.597 1.00 0.00 O ATOM 518 ND2 ASN A 67 -19.500 8.472 3.623 1.00 0.00 N ATOM 0 H ASN A 67 -14.805 7.925 4.215 1.00 0.00 H new ATOM 0 HA ASN A 67 -17.230 6.444 4.050 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -17.126 8.882 4.452 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -16.393 9.130 2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -20.450 8.534 3.258 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -19.345 8.310 4.618 1.00 0.00 H new ATOM 525 N ARG A 68 -15.471 6.851 1.299 1.00 0.00 N ATOM 526 CA ARG A 68 -15.333 6.401 -0.084 1.00 0.00 C ATOM 527 C ARG A 68 -14.815 4.963 -0.119 1.00 0.00 C ATOM 528 O ARG A 68 -14.948 4.259 -1.119 1.00 0.00 O ATOM 529 CB ARG A 68 -14.387 7.333 -0.843 1.00 0.00 C ATOM 530 CG ARG A 68 -14.526 7.255 -2.356 1.00 0.00 C ATOM 531 CD ARG A 68 -13.600 8.244 -3.046 1.00 0.00 C ATOM 532 NE ARG A 68 -13.785 9.607 -2.548 1.00 0.00 N ATOM 533 CZ ARG A 68 -12.864 10.565 -2.643 1.00 0.00 C ATOM 534 NH1 ARG A 68 -11.716 10.333 -3.272 1.00 0.00 N ATOM 535 NH2 ARG A 68 -13.099 11.763 -2.123 1.00 0.00 N ATOM 0 H ARG A 68 -14.707 7.440 1.631 1.00 0.00 H new ATOM 0 HA ARG A 68 -16.309 6.427 -0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.570 8.359 -0.524 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.360 7.093 -0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.298 6.244 -2.693 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.558 7.461 -2.640 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.565 7.939 -2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.782 8.223 -4.120 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.672 9.838 -2.101 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.537 9.418 -3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.015 11.070 -3.342 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.984 11.950 -1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.395 12.497 -2.195 1.00 0.00 H new ATOM 549 N TRP A 69 -14.241 4.550 0.999 1.00 0.00 N ATOM 550 CA TRP A 69 -13.695 3.211 1.178 1.00 0.00 C ATOM 551 C TRP A 69 -14.771 2.148 0.964 1.00 0.00 C ATOM 552 O TRP A 69 -14.572 1.182 0.229 1.00 0.00 O ATOM 553 CB TRP A 69 -13.130 3.120 2.592 1.00 0.00 C ATOM 554 CG TRP A 69 -12.330 1.895 2.884 1.00 0.00 C ATOM 555 CD1 TRP A 69 -11.336 1.357 2.126 1.00 0.00 C ATOM 556 CD2 TRP A 69 -12.435 1.079 4.050 1.00 0.00 C ATOM 557 NE1 TRP A 69 -10.811 0.255 2.755 1.00 0.00 N ATOM 558 CE2 TRP A 69 -11.473 0.064 3.940 1.00 0.00 C ATOM 559 CE3 TRP A 69 -13.256 1.111 5.175 1.00 0.00 C ATOM 560 CZ2 TRP A 69 -11.302 -0.907 4.920 1.00 0.00 C ATOM 561 CZ3 TRP A 69 -13.088 0.148 6.147 1.00 0.00 C ATOM 562 CH2 TRP A 69 -12.116 -0.848 6.013 1.00 0.00 C ATOM 0 H TRP A 69 -14.139 5.144 1.822 1.00 0.00 H new ATOM 0 HA TRP A 69 -12.911 3.030 0.443 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -12.504 3.994 2.772 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -13.958 3.170 3.300 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -11.008 1.740 1.171 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -10.052 -0.326 2.399 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -14.010 1.876 5.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -10.553 -1.679 4.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -13.717 0.163 7.025 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -12.007 -1.587 6.793 1.00 0.00 H new ATOM 573 N GLY A 70 -15.922 2.349 1.591 1.00 0.00 N ATOM 574 CA GLY A 70 -17.013 1.402 1.463 1.00 0.00 C ATOM 575 C GLY A 70 -17.764 1.548 0.152 1.00 0.00 C ATOM 576 O GLY A 70 -18.721 0.820 -0.106 1.00 0.00 O ATOM 0 H GLY A 70 -16.120 3.152 2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.620 0.388 1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.707 1.539 2.292 1.00 0.00 H new ATOM 580 N SER A 71 -17.330 2.486 -0.681 1.00 0.00 N ATOM 581 CA SER A 71 -17.965 2.717 -1.972 1.00 0.00 C ATOM 582 C SER A 71 -17.280 1.892 -3.061 1.00 0.00 C ATOM 583 O SER A 71 -17.709 1.883 -4.219 1.00 0.00 O ATOM 584 CB SER A 71 -17.916 4.206 -2.316 1.00 0.00 C ATOM 585 OG SER A 71 -18.467 4.986 -1.265 1.00 0.00 O ATOM 0 H SER A 71 -16.539 3.100 -0.485 1.00 0.00 H new ATOM 0 HA SER A 71 -19.007 2.404 -1.913 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.884 4.508 -2.496 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.468 4.389 -3.238 1.00 0.00 H new ATOM 0 HG SER A 71 -18.424 5.935 -1.505 1.00 0.00 H new ATOM 591 N VAL A 72 -16.216 1.201 -2.680 1.00 0.00 N ATOM 592 CA VAL A 72 -15.489 0.338 -3.598 1.00 0.00 C ATOM 593 C VAL A 72 -16.249 -0.972 -3.796 1.00 0.00 C ATOM 594 O VAL A 72 -16.839 -1.506 -2.849 1.00 0.00 O ATOM 595 CB VAL A 72 -14.071 0.028 -3.062 1.00 0.00 C ATOM 596 CG1 VAL A 72 -13.276 -0.801 -4.060 1.00 0.00 C ATOM 597 CG2 VAL A 72 -13.330 1.313 -2.722 1.00 0.00 C ATOM 0 H VAL A 72 -15.835 1.222 -1.734 1.00 0.00 H new ATOM 0 HA VAL A 72 -15.398 0.860 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.180 -0.558 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.284 -1.003 -3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.792 -1.743 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.181 -0.251 -4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -12.335 1.071 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -13.241 1.929 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -13.882 1.860 -1.958 1.00 0.00 H new ATOM 607 N GLY A 73 -16.264 -1.473 -5.030 1.00 0.00 N ATOM 608 CA GLY A 73 -16.853 -2.761 -5.287 1.00 0.00 C ATOM 609 C GLY A 73 -16.079 -3.845 -4.584 1.00 0.00 C ATOM 610 O GLY A 73 -14.851 -3.848 -4.619 1.00 0.00 O ATOM 0 H GLY A 73 -15.877 -1.005 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.889 -2.768 -4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.867 -2.953 -6.360 1.00 0.00 H new ATOM 614 N LYS A 74 -16.786 -4.763 -3.955 1.00 0.00 N ATOM 615 CA LYS A 74 -16.149 -5.771 -3.118 1.00 0.00 C ATOM 616 C LYS A 74 -15.336 -6.720 -3.986 1.00 0.00 C ATOM 617 O LYS A 74 -14.281 -7.206 -3.582 1.00 0.00 O ATOM 618 CB LYS A 74 -17.200 -6.538 -2.310 1.00 0.00 C ATOM 619 CG LYS A 74 -18.316 -5.651 -1.774 1.00 0.00 C ATOM 620 CD LYS A 74 -17.774 -4.544 -0.886 1.00 0.00 C ATOM 621 CE LYS A 74 -18.829 -3.492 -0.580 1.00 0.00 C ATOM 622 NZ LYS A 74 -19.181 -2.693 -1.785 1.00 0.00 N ATOM 0 H LYS A 74 -17.802 -4.835 -4.005 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.478 -5.278 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.634 -7.316 -2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.711 -7.039 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -18.865 -5.213 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -19.024 -6.258 -1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -17.409 -4.973 0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.922 -4.072 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.724 -3.978 -0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.463 -2.827 0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.770 -1.883 -1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.311 -2.348 -2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.708 -3.289 -2.455 1.00 0.00 H new ATOM 636 N LYS A 75 -15.833 -6.952 -5.194 1.00 0.00 N ATOM 637 CA LYS A 75 -15.122 -7.748 -6.180 1.00 0.00 C ATOM 638 C LYS A 75 -13.889 -7.000 -6.662 1.00 0.00 C ATOM 639 O LYS A 75 -12.791 -7.558 -6.724 1.00 0.00 O ATOM 640 CB LYS A 75 -16.034 -8.050 -7.370 1.00 0.00 C ATOM 641 CG LYS A 75 -15.343 -8.822 -8.489 1.00 0.00 C ATOM 642 CD LYS A 75 -14.759 -10.138 -7.992 1.00 0.00 C ATOM 643 CE LYS A 75 -13.891 -10.803 -9.050 1.00 0.00 C ATOM 644 NZ LYS A 75 -14.660 -11.152 -10.272 1.00 0.00 N ATOM 0 H LYS A 75 -16.734 -6.596 -5.514 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.816 -8.686 -5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -16.894 -8.623 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -16.417 -7.112 -7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.057 -9.020 -9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.548 -8.210 -8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.166 -9.958 -7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.568 -10.811 -7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.072 -10.135 -9.317 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.444 -11.706 -8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.039 -11.648 -10.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.457 -11.770 -10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.023 -10.283 -10.713 1.00 0.00 H new ATOM 658 N GLU A 76 -14.088 -5.730 -6.994 1.00 0.00 N ATOM 659 CA GLU A 76 -13.011 -4.887 -7.483 1.00 0.00 C ATOM 660 C GLU A 76 -11.910 -4.795 -6.439 1.00 0.00 C ATOM 661 O GLU A 76 -10.728 -4.917 -6.759 1.00 0.00 O ATOM 662 CB GLU A 76 -13.540 -3.490 -7.814 1.00 0.00 C ATOM 663 CG GLU A 76 -12.570 -2.653 -8.631 1.00 0.00 C ATOM 664 CD GLU A 76 -12.503 -3.085 -10.082 1.00 0.00 C ATOM 665 OE1 GLU A 76 -11.874 -4.120 -10.377 1.00 0.00 O ATOM 666 OE2 GLU A 76 -13.081 -2.386 -10.941 1.00 0.00 O ATOM 0 H GLU A 76 -14.992 -5.262 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.603 -5.330 -8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.477 -3.585 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.767 -2.966 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.869 -1.606 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.576 -2.722 -8.189 1.00 0.00 H new ATOM 673 N ALA A 77 -12.313 -4.610 -5.185 1.00 0.00 N ATOM 674 CA ALA A 77 -11.372 -4.524 -4.081 1.00 0.00 C ATOM 675 C ALA A 77 -10.524 -5.786 -3.990 1.00 0.00 C ATOM 676 O ALA A 77 -9.314 -5.711 -3.793 1.00 0.00 O ATOM 677 CB ALA A 77 -12.109 -4.284 -2.774 1.00 0.00 C ATOM 0 H ALA A 77 -13.291 -4.517 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.707 -3.681 -4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.390 -4.222 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.668 -3.350 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.799 -5.107 -2.589 1.00 0.00 H new ATOM 683 N MET A 78 -11.163 -6.943 -4.158 1.00 0.00 N ATOM 684 CA MET A 78 -10.459 -8.223 -4.106 1.00 0.00 C ATOM 685 C MET A 78 -9.355 -8.270 -5.149 1.00 0.00 C ATOM 686 O MET A 78 -8.233 -8.698 -4.866 1.00 0.00 O ATOM 687 CB MET A 78 -11.422 -9.393 -4.331 1.00 0.00 C ATOM 688 CG MET A 78 -12.368 -9.648 -3.172 1.00 0.00 C ATOM 689 SD MET A 78 -13.401 -11.103 -3.434 1.00 0.00 S ATOM 690 CE MET A 78 -14.310 -11.144 -1.891 1.00 0.00 C ATOM 0 H MET A 78 -12.165 -7.020 -4.331 1.00 0.00 H new ATOM 0 HA MET A 78 -10.020 -8.316 -3.112 1.00 0.00 H new ATOM 0 HB2 MET A 78 -12.009 -9.199 -5.229 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.842 -10.297 -4.518 1.00 0.00 H new ATOM 0 HG2 MET A 78 -11.790 -9.776 -2.257 1.00 0.00 H new ATOM 0 HG3 MET A 78 -13.005 -8.775 -3.028 1.00 0.00 H new ATOM 0 HE1 MET A 78 -14.517 -12.179 -1.618 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.717 -10.674 -1.107 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.250 -10.604 -2.008 1.00 0.00 H new ATOM 700 N GLU A 79 -9.676 -7.810 -6.348 1.00 0.00 N ATOM 701 CA GLU A 79 -8.724 -7.821 -7.443 1.00 0.00 C ATOM 702 C GLU A 79 -7.640 -6.768 -7.242 1.00 0.00 C ATOM 703 O GLU A 79 -6.467 -7.026 -7.497 1.00 0.00 O ATOM 704 CB GLU A 79 -9.443 -7.611 -8.770 1.00 0.00 C ATOM 705 CG GLU A 79 -10.458 -8.702 -9.057 1.00 0.00 C ATOM 706 CD GLU A 79 -10.977 -8.663 -10.476 1.00 0.00 C ATOM 707 OE1 GLU A 79 -12.007 -8.006 -10.724 1.00 0.00 O ATOM 708 OE2 GLU A 79 -10.357 -9.301 -11.355 1.00 0.00 O ATOM 0 H GLU A 79 -10.590 -7.424 -6.586 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.238 -8.796 -7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.946 -6.644 -8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.710 -7.579 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.002 -9.674 -8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.295 -8.603 -8.366 1.00 0.00 H new ATOM 715 N ILE A 80 -8.033 -5.592 -6.764 1.00 0.00 N ATOM 716 CA ILE A 80 -7.080 -4.517 -6.497 1.00 0.00 C ATOM 717 C ILE A 80 -6.077 -4.942 -5.430 1.00 0.00 C ATOM 718 O ILE A 80 -4.872 -4.783 -5.604 1.00 0.00 O ATOM 719 CB ILE A 80 -7.786 -3.220 -6.040 1.00 0.00 C ATOM 720 CG1 ILE A 80 -8.703 -2.695 -7.145 1.00 0.00 C ATOM 721 CG2 ILE A 80 -6.762 -2.157 -5.656 1.00 0.00 C ATOM 722 CD1 ILE A 80 -9.617 -1.578 -6.692 1.00 0.00 C ATOM 0 H ILE A 80 -9.003 -5.358 -6.553 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.560 -4.315 -7.433 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.391 -3.450 -5.163 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.092 -2.340 -7.975 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.309 -3.518 -7.525 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.279 -1.252 -5.337 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.142 -2.527 -4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.132 -1.931 -6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.239 -1.255 -7.527 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.254 -1.935 -5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.018 -0.738 -6.339 1.00 0.00 H new ATOM 734 N ILE A 81 -6.585 -5.498 -4.336 1.00 0.00 N ATOM 735 CA ILE A 81 -5.735 -5.969 -3.248 1.00 0.00 C ATOM 736 C ILE A 81 -4.789 -7.068 -3.737 1.00 0.00 C ATOM 737 O ILE A 81 -3.629 -7.132 -3.326 1.00 0.00 O ATOM 738 CB ILE A 81 -6.582 -6.485 -2.060 1.00 0.00 C ATOM 739 CG1 ILE A 81 -7.390 -5.337 -1.441 1.00 0.00 C ATOM 740 CG2 ILE A 81 -5.708 -7.152 -1.008 1.00 0.00 C ATOM 741 CD1 ILE A 81 -6.542 -4.201 -0.904 1.00 0.00 C ATOM 0 H ILE A 81 -7.584 -5.634 -4.179 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.141 -5.123 -2.902 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.275 -7.235 -2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -8.073 -4.942 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -8.002 -5.734 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.332 -7.504 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.184 -7.997 -1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.981 -6.433 -0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.189 -3.431 -0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.877 -4.579 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.950 -3.775 -1.714 1.00 0.00 H new ATOM 753 N LYS A 82 -5.288 -7.916 -4.630 1.00 0.00 N ATOM 754 CA LYS A 82 -4.473 -8.966 -5.229 1.00 0.00 C ATOM 755 C LYS A 82 -3.318 -8.355 -6.021 1.00 0.00 C ATOM 756 O LYS A 82 -2.165 -8.774 -5.888 1.00 0.00 O ATOM 757 CB LYS A 82 -5.331 -9.844 -6.146 1.00 0.00 C ATOM 758 CG LYS A 82 -4.554 -10.960 -6.835 1.00 0.00 C ATOM 759 CD LYS A 82 -4.060 -12.014 -5.851 1.00 0.00 C ATOM 760 CE LYS A 82 -5.129 -13.051 -5.525 1.00 0.00 C ATOM 761 NZ LYS A 82 -6.312 -12.468 -4.839 1.00 0.00 N ATOM 0 H LYS A 82 -6.255 -7.896 -4.955 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.063 -9.585 -4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.138 -10.284 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.795 -9.215 -6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.190 -11.434 -7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.702 -10.533 -7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.187 -12.515 -6.268 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.739 -11.526 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.452 -13.534 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.695 -13.826 -4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.786 -13.205 -4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.005 -11.699 -4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.974 -12.092 -5.548 1.00 0.00 H new ATOM 775 N LYS A 83 -3.642 -7.357 -6.835 1.00 0.00 N ATOM 776 CA LYS A 83 -2.650 -6.665 -7.650 1.00 0.00 C ATOM 777 C LYS A 83 -1.689 -5.877 -6.768 1.00 0.00 C ATOM 778 O LYS A 83 -0.497 -5.774 -7.065 1.00 0.00 O ATOM 779 CB LYS A 83 -3.345 -5.719 -8.632 1.00 0.00 C ATOM 780 CG LYS A 83 -4.316 -6.417 -9.568 1.00 0.00 C ATOM 781 CD LYS A 83 -5.148 -5.418 -10.354 1.00 0.00 C ATOM 782 CE LYS A 83 -6.217 -6.116 -11.178 1.00 0.00 C ATOM 783 NZ LYS A 83 -7.070 -5.149 -11.919 1.00 0.00 N ATOM 0 H LYS A 83 -4.593 -7.006 -6.949 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.083 -7.409 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.882 -4.955 -8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.588 -5.205 -9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.763 -7.054 -10.258 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.975 -7.067 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.617 -4.713 -9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.499 -4.839 -11.011 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.743 -6.797 -11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.842 -6.722 -10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.786 -5.667 -12.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.543 -4.515 -11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.478 -4.588 -12.564 1.00 0.00 H new ATOM 797 N PHE A 84 -2.220 -5.322 -5.686 1.00 0.00 N ATOM 798 CA PHE A 84 -1.425 -4.547 -4.746 1.00 0.00 C ATOM 799 C PHE A 84 -0.353 -5.429 -4.116 1.00 0.00 C ATOM 800 O PHE A 84 0.827 -5.077 -4.102 1.00 0.00 O ATOM 801 CB PHE A 84 -2.327 -3.951 -3.662 1.00 0.00 C ATOM 802 CG PHE A 84 -1.843 -2.634 -3.123 1.00 0.00 C ATOM 803 CD1 PHE A 84 -2.487 -1.458 -3.471 1.00 0.00 C ATOM 804 CD2 PHE A 84 -0.749 -2.569 -2.278 1.00 0.00 C ATOM 805 CE1 PHE A 84 -2.049 -0.242 -2.984 1.00 0.00 C ATOM 806 CE2 PHE A 84 -0.306 -1.356 -1.788 1.00 0.00 C ATOM 807 CZ PHE A 84 -0.957 -0.191 -2.141 1.00 0.00 C ATOM 0 H PHE A 84 -3.207 -5.396 -5.438 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.937 -3.733 -5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.329 -3.819 -4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.408 -4.661 -2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.341 -1.492 -4.131 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.236 -3.477 -1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.560 0.668 -3.262 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.549 -1.319 -1.129 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.613 0.758 -1.758 1.00 0.00 H new ATOM 817 N LYS A 85 -0.769 -6.590 -3.619 1.00 0.00 N ATOM 818 CA LYS A 85 0.157 -7.544 -3.017 1.00 0.00 C ATOM 819 C LYS A 85 1.163 -8.044 -4.048 1.00 0.00 C ATOM 820 O LYS A 85 2.309 -8.354 -3.713 1.00 0.00 O ATOM 821 CB LYS A 85 -0.598 -8.732 -2.419 1.00 0.00 C ATOM 822 CG LYS A 85 -1.522 -8.362 -1.271 1.00 0.00 C ATOM 823 CD LYS A 85 -2.206 -9.594 -0.702 1.00 0.00 C ATOM 824 CE LYS A 85 -3.120 -9.247 0.461 1.00 0.00 C ATOM 825 NZ LYS A 85 -3.826 -10.446 0.981 1.00 0.00 N ATOM 0 H LYS A 85 -1.743 -6.893 -3.621 1.00 0.00 H new ATOM 0 HA LYS A 85 0.692 -7.028 -2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.184 -9.209 -3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.124 -9.469 -2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.952 -7.864 -0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.273 -7.653 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.785 -10.083 -1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.452 -10.308 -0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.535 -8.794 1.261 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.851 -8.505 0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.741 -10.162 1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.985 -11.119 0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.247 -10.897 1.718 1.00 0.00 H new ATOM 839 N LYS A 86 0.725 -8.119 -5.299 1.00 0.00 N ATOM 840 CA LYS A 86 1.582 -8.562 -6.390 1.00 0.00 C ATOM 841 C LYS A 86 2.721 -7.572 -6.607 1.00 0.00 C ATOM 842 O LYS A 86 3.887 -7.959 -6.709 1.00 0.00 O ATOM 843 CB LYS A 86 0.768 -8.709 -7.678 1.00 0.00 C ATOM 844 CG LYS A 86 1.552 -9.310 -8.837 1.00 0.00 C ATOM 845 CD LYS A 86 1.930 -10.759 -8.571 1.00 0.00 C ATOM 846 CE LYS A 86 0.699 -11.644 -8.467 1.00 0.00 C ATOM 847 NZ LYS A 86 1.051 -13.064 -8.214 1.00 0.00 N ATOM 0 H LYS A 86 -0.224 -7.877 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 86 2.004 -9.531 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.102 -9.334 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.394 -7.729 -7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.957 -9.251 -9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.455 -8.724 -9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.574 -11.122 -9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.505 -10.823 -7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.059 -11.281 -7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.123 -11.573 -9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.182 -13.631 -8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.640 -13.420 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.578 -13.137 -7.321 1.00 0.00 H new ATOM 861 N ASP A 87 2.377 -6.292 -6.656 1.00 0.00 N ATOM 862 CA ASP A 87 3.368 -5.244 -6.867 1.00 0.00 C ATOM 863 C ASP A 87 4.287 -5.121 -5.663 1.00 0.00 C ATOM 864 O ASP A 87 5.463 -4.788 -5.804 1.00 0.00 O ATOM 865 CB ASP A 87 2.694 -3.902 -7.149 1.00 0.00 C ATOM 866 CG ASP A 87 2.968 -3.403 -8.553 1.00 0.00 C ATOM 867 OD1 ASP A 87 3.967 -2.679 -8.751 1.00 0.00 O ATOM 868 OD2 ASP A 87 2.183 -3.727 -9.469 1.00 0.00 O ATOM 0 H ASP A 87 1.420 -5.954 -6.553 1.00 0.00 H new ATOM 0 HA ASP A 87 3.964 -5.522 -7.736 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.618 -4.001 -7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.045 -3.163 -6.429 1.00 0.00 H new ATOM 873 N LEU A 88 3.747 -5.391 -4.479 1.00 0.00 N ATOM 874 CA LEU A 88 4.548 -5.401 -3.259 1.00 0.00 C ATOM 875 C LEU A 88 5.563 -6.537 -3.297 1.00 0.00 C ATOM 876 O LEU A 88 6.699 -6.379 -2.857 1.00 0.00 O ATOM 877 CB LEU A 88 3.659 -5.550 -2.024 1.00 0.00 C ATOM 878 CG LEU A 88 2.706 -4.387 -1.747 1.00 0.00 C ATOM 879 CD1 LEU A 88 1.857 -4.690 -0.525 1.00 0.00 C ATOM 880 CD2 LEU A 88 3.478 -3.089 -1.550 1.00 0.00 C ATOM 0 H LEU A 88 2.760 -5.606 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 88 5.076 -4.449 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.070 -6.461 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.300 -5.686 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 88 2.052 -4.263 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.181 -3.856 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.276 -5.595 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.504 -4.837 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.779 -2.276 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.158 -3.195 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.051 -2.866 -2.450 1.00 0.00 H new ATOM 892 N ALA A 89 5.143 -7.681 -3.830 1.00 0.00 N ATOM 893 CA ALA A 89 6.029 -8.830 -3.970 1.00 0.00 C ATOM 894 C ALA A 89 7.193 -8.491 -4.891 1.00 0.00 C ATOM 895 O ALA A 89 8.355 -8.744 -4.563 1.00 0.00 O ATOM 896 CB ALA A 89 5.263 -10.033 -4.500 1.00 0.00 C ATOM 0 H ALA A 89 4.195 -7.836 -4.172 1.00 0.00 H new ATOM 0 HA ALA A 89 6.427 -9.083 -2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.940 -10.881 -4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.461 -10.287 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.838 -9.793 -5.475 1.00 0.00 H new ATOM 902 N ALA A 90 6.870 -7.902 -6.037 1.00 0.00 N ATOM 903 CA ALA A 90 7.883 -7.457 -6.981 1.00 0.00 C ATOM 904 C ALA A 90 8.789 -6.421 -6.329 1.00 0.00 C ATOM 905 O ALA A 90 10.012 -6.530 -6.387 1.00 0.00 O ATOM 906 CB ALA A 90 7.226 -6.883 -8.228 1.00 0.00 C ATOM 0 H ALA A 90 5.911 -7.722 -6.333 1.00 0.00 H new ATOM 0 HA ALA A 90 8.490 -8.313 -7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.996 -6.554 -8.926 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.611 -7.649 -8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.600 -6.035 -7.952 1.00 0.00 H new ATOM 912 N MET A 91 8.163 -5.439 -5.686 1.00 0.00 N ATOM 913 CA MET A 91 8.870 -4.376 -4.978 1.00 0.00 C ATOM 914 C MET A 91 9.895 -4.953 -4.008 1.00 0.00 C ATOM 915 O MET A 91 11.058 -4.549 -4.002 1.00 0.00 O ATOM 916 CB MET A 91 7.860 -3.520 -4.209 1.00 0.00 C ATOM 917 CG MET A 91 8.471 -2.343 -3.471 1.00 0.00 C ATOM 918 SD MET A 91 7.277 -1.484 -2.425 1.00 0.00 S ATOM 919 CE MET A 91 5.983 -1.108 -3.608 1.00 0.00 C ATOM 0 H MET A 91 7.147 -5.358 -5.641 1.00 0.00 H new ATOM 0 HA MET A 91 9.398 -3.763 -5.709 1.00 0.00 H new ATOM 0 HB2 MET A 91 7.112 -3.146 -4.908 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.338 -4.152 -3.491 1.00 0.00 H new ATOM 0 HG2 MET A 91 9.300 -2.695 -2.857 1.00 0.00 H new ATOM 0 HG3 MET A 91 8.886 -1.641 -4.194 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.301 -0.373 -3.180 1.00 0.00 H new ATOM 0 HE2 MET A 91 6.428 -0.704 -4.518 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.432 -2.018 -3.846 1.00 0.00 H new ATOM 929 N LEU A 92 9.448 -5.910 -3.206 1.00 0.00 N ATOM 930 CA LEU A 92 10.292 -6.555 -2.211 1.00 0.00 C ATOM 931 C LEU A 92 11.533 -7.175 -2.846 1.00 0.00 C ATOM 932 O LEU A 92 12.650 -7.006 -2.352 1.00 0.00 O ATOM 933 CB LEU A 92 9.494 -7.635 -1.479 1.00 0.00 C ATOM 934 CG LEU A 92 10.283 -8.444 -0.451 1.00 0.00 C ATOM 935 CD1 LEU A 92 10.915 -7.524 0.579 1.00 0.00 C ATOM 936 CD2 LEU A 92 9.380 -9.460 0.225 1.00 0.00 C ATOM 0 H LEU A 92 8.490 -6.260 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 92 10.620 -5.793 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.651 -7.162 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.080 -8.322 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 92 11.080 -8.978 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.473 -8.117 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.592 -6.830 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.135 -6.963 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.955 -10.029 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.564 -8.943 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.971 -10.139 -0.524 1.00 0.00 H new ATOM 948 N ARG A 93 11.337 -7.887 -3.943 1.00 0.00 N ATOM 949 CA ARG A 93 12.439 -8.564 -4.609 1.00 0.00 C ATOM 950 C ARG A 93 13.440 -7.556 -5.158 1.00 0.00 C ATOM 951 O ARG A 93 14.645 -7.810 -5.166 1.00 0.00 O ATOM 952 CB ARG A 93 11.919 -9.453 -5.737 1.00 0.00 C ATOM 953 CG ARG A 93 10.896 -10.479 -5.280 1.00 0.00 C ATOM 954 CD ARG A 93 10.390 -11.317 -6.442 1.00 0.00 C ATOM 955 NE ARG A 93 9.917 -10.489 -7.550 1.00 0.00 N ATOM 956 CZ ARG A 93 8.910 -10.816 -8.358 1.00 0.00 C ATOM 957 NH1 ARG A 93 8.248 -11.954 -8.183 1.00 0.00 N ATOM 958 NH2 ARG A 93 8.572 -10.002 -9.351 1.00 0.00 N ATOM 0 H ARG A 93 10.429 -8.012 -4.391 1.00 0.00 H new ATOM 0 HA ARG A 93 12.945 -9.190 -3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.472 -8.824 -6.507 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.760 -9.971 -6.197 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.343 -11.130 -4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.057 -9.971 -4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.189 -11.970 -6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.580 -11.961 -6.099 1.00 0.00 H new ATOM 0 HE ARG A 93 10.390 -9.601 -7.716 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.510 -12.585 -7.425 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.478 -12.197 -8.806 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.083 -9.131 -9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.802 -10.248 -9.972 1.00 0.00 H new ATOM 972 N ILE A 94 12.944 -6.403 -5.597 1.00 0.00 N ATOM 973 CA ILE A 94 13.814 -5.365 -6.131 1.00 0.00 C ATOM 974 C ILE A 94 14.598 -4.692 -5.007 1.00 0.00 C ATOM 975 O ILE A 94 15.727 -4.248 -5.215 1.00 0.00 O ATOM 976 CB ILE A 94 13.034 -4.299 -6.923 1.00 0.00 C ATOM 977 CG1 ILE A 94 12.070 -4.961 -7.907 1.00 0.00 C ATOM 978 CG2 ILE A 94 14.007 -3.399 -7.674 1.00 0.00 C ATOM 979 CD1 ILE A 94 11.166 -3.983 -8.622 1.00 0.00 C ATOM 0 H ILE A 94 11.952 -6.167 -5.593 1.00 0.00 H new ATOM 0 HA ILE A 94 14.503 -5.855 -6.818 1.00 0.00 H new ATOM 0 HB ILE A 94 12.455 -3.697 -6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.645 -5.518 -8.647 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.456 -5.684 -7.370 1.00 0.00 H new ATOM 0 HG21 ILE A 94 13.450 -2.647 -8.233 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.670 -2.906 -6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.599 -3.999 -8.365 1.00 0.00 H new ATOM 0 HD11 ILE A 94 10.510 -4.525 -9.303 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.564 -3.443 -7.891 1.00 0.00 H new ATOM 0 HD13 ILE A 94 11.771 -3.275 -9.188 1.00 0.00 H new ATOM 991 N ILE A 95 14.001 -4.620 -3.816 1.00 0.00 N ATOM 992 CA ILE A 95 14.723 -4.159 -2.632 1.00 0.00 C ATOM 993 C ILE A 95 15.966 -5.020 -2.437 1.00 0.00 C ATOM 994 O ILE A 95 17.082 -4.519 -2.292 1.00 0.00 O ATOM 995 CB ILE A 95 13.870 -4.250 -1.345 1.00 0.00 C ATOM 996 CG1 ILE A 95 12.607 -3.406 -1.461 1.00 0.00 C ATOM 997 CG2 ILE A 95 14.687 -3.785 -0.151 1.00 0.00 C ATOM 998 CD1 ILE A 95 12.883 -1.924 -1.423 1.00 0.00 C ATOM 0 H ILE A 95 13.027 -4.873 -3.648 1.00 0.00 H new ATOM 0 HA ILE A 95 14.980 -3.113 -2.799 1.00 0.00 H new ATOM 0 HB ILE A 95 13.576 -5.290 -1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 95 12.097 -3.651 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 95 11.928 -3.664 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 95 14.081 -3.851 0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.568 -4.418 -0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 95 14.999 -2.752 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.944 -1.377 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 95 13.366 -1.668 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.538 -1.655 -2.251 1.00 0.00 H new ATOM 1010 N ASN A 96 15.752 -6.332 -2.468 1.00 0.00 N ATOM 1011 CA ASN A 96 16.832 -7.303 -2.326 1.00 0.00 C ATOM 1012 C ASN A 96 17.762 -7.252 -3.525 1.00 0.00 C ATOM 1013 O ASN A 96 18.914 -7.662 -3.445 1.00 0.00 O ATOM 1014 CB ASN A 96 16.275 -8.718 -2.177 1.00 0.00 C ATOM 1015 CG ASN A 96 15.556 -8.933 -0.858 1.00 0.00 C ATOM 1016 OD1 ASN A 96 16.165 -9.330 0.132 1.00 0.00 O ATOM 1017 ND2 ASN A 96 14.258 -8.676 -0.831 1.00 0.00 N ATOM 0 H ASN A 96 14.830 -6.750 -2.592 1.00 0.00 H new ATOM 0 HA ASN A 96 17.392 -7.045 -1.427 1.00 0.00 H new ATOM 0 HB2 ASN A 96 15.587 -8.921 -2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 96 17.091 -9.435 -2.261 1.00 0.00 H new ATOM 0 HD21 ASN A 96 13.730 -8.806 0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.786 -8.348 -1.673 1.00 0.00 H new ATOM 1024 N ALA A 97 17.263 -6.735 -4.635 1.00 0.00 N ATOM 1025 CA ALA A 97 18.070 -6.595 -5.833 1.00 0.00 C ATOM 1026 C ALA A 97 18.915 -5.325 -5.768 1.00 0.00 C ATOM 1027 O ALA A 97 19.510 -4.910 -6.762 1.00 0.00 O ATOM 1028 CB ALA A 97 17.191 -6.589 -7.073 1.00 0.00 C ATOM 0 H ALA A 97 16.302 -6.405 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 97 18.742 -7.451 -5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 97 17.815 -6.483 -7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 97 16.635 -7.525 -7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 97 16.492 -5.755 -7.019 1.00 0.00 H new ATOM 1034 N ARG A 98 18.953 -4.705 -4.594 1.00 0.00 N ATOM 1035 CA ARG A 98 19.750 -3.504 -4.375 1.00 0.00 C ATOM 1036 C ARG A 98 20.692 -3.691 -3.189 1.00 0.00 C ATOM 1037 O ARG A 98 21.030 -2.731 -2.493 1.00 0.00 O ATOM 1038 CB ARG A 98 18.838 -2.295 -4.130 1.00 0.00 C ATOM 1039 CG ARG A 98 17.974 -1.902 -5.322 1.00 0.00 C ATOM 1040 CD ARG A 98 18.790 -1.252 -6.433 1.00 0.00 C ATOM 1041 NE ARG A 98 19.715 -2.185 -7.078 1.00 0.00 N ATOM 1042 CZ ARG A 98 20.751 -1.810 -7.828 1.00 0.00 C ATOM 1043 NH1 ARG A 98 21.014 -0.522 -8.008 1.00 0.00 N ATOM 1044 NH2 ARG A 98 21.532 -2.727 -8.391 1.00 0.00 N ATOM 0 H ARG A 98 18.436 -5.018 -3.772 1.00 0.00 H new ATOM 0 HA ARG A 98 20.346 -3.324 -5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 98 18.188 -2.512 -3.282 1.00 0.00 H new ATOM 0 HB3 ARG A 98 19.455 -1.442 -3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 98 17.472 -2.787 -5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.196 -1.213 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.113 -0.842 -7.183 1.00 0.00 H new ATOM 0 HD3 ARG A 98 19.354 -0.415 -6.021 1.00 0.00 H new ATOM 0 HE ARG A 98 19.557 -3.184 -6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 98 20.422 0.185 -7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.808 -0.239 -8.583 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.339 -3.718 -8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.325 -2.439 -8.965 1.00 0.00 H new ATOM 1288 N GLY B 42 9.939 10.499 5.873 1.00 0.00 N ATOM 1289 CA GLY B 42 9.407 9.243 6.336 1.00 0.00 C ATOM 1290 C GLY B 42 10.481 8.183 6.446 1.00 0.00 C ATOM 1291 O GLY B 42 11.327 8.068 5.552 1.00 0.00 O ATOM 0 HA2 GLY B 42 8.935 9.385 7.308 1.00 0.00 H new ATOM 0 HA3 GLY B 42 8.630 8.903 5.651 1.00 0.00 H new ATOM 1295 N PRO B 43 10.494 7.415 7.547 1.00 0.00 N ATOM 1296 CA PRO B 43 11.431 6.303 7.727 1.00 0.00 C ATOM 1297 C PRO B 43 11.196 5.185 6.714 1.00 0.00 C ATOM 1298 O PRO B 43 10.246 5.247 5.932 1.00 0.00 O ATOM 1299 CB PRO B 43 11.144 5.798 9.149 1.00 0.00 C ATOM 1300 CG PRO B 43 10.378 6.893 9.809 1.00 0.00 C ATOM 1301 CD PRO B 43 9.619 7.586 8.716 1.00 0.00 C ATOM 0 HA PRO B 43 12.463 6.621 7.580 1.00 0.00 H new ATOM 0 HB2 PRO B 43 10.569 4.872 9.129 1.00 0.00 H new ATOM 0 HB3 PRO B 43 12.069 5.587 9.685 1.00 0.00 H new ATOM 0 HG2 PRO B 43 9.699 6.494 10.563 1.00 0.00 H new ATOM 0 HG3 PRO B 43 11.048 7.586 10.318 1.00 0.00 H new ATOM 0 HD2 PRO B 43 8.639 7.135 8.556 1.00 0.00 H new ATOM 0 HD3 PRO B 43 9.452 8.639 8.945 1.00 0.00 H new ATOM 1309 N ILE B 44 12.037 4.158 6.747 1.00 0.00 N ATOM 1310 CA ILE B 44 12.000 3.086 5.747 1.00 0.00 C ATOM 1311 C ILE B 44 10.595 2.496 5.563 1.00 0.00 C ATOM 1312 O ILE B 44 10.176 2.213 4.438 1.00 0.00 O ATOM 1313 CB ILE B 44 12.993 1.960 6.102 1.00 0.00 C ATOM 1314 CG1 ILE B 44 12.722 1.415 7.508 1.00 0.00 C ATOM 1315 CG2 ILE B 44 14.423 2.470 5.991 1.00 0.00 C ATOM 1316 CD1 ILE B 44 13.678 0.322 7.929 1.00 0.00 C ATOM 0 H ILE B 44 12.759 4.041 7.458 1.00 0.00 H new ATOM 0 HA ILE B 44 12.294 3.543 4.802 1.00 0.00 H new ATOM 0 HB ILE B 44 12.856 1.143 5.394 1.00 0.00 H new ATOM 0 HG12 ILE B 44 12.783 2.235 8.224 1.00 0.00 H new ATOM 0 HG13 ILE B 44 11.703 1.030 7.549 1.00 0.00 H new ATOM 0 HG21 ILE B 44 15.116 1.668 6.244 1.00 0.00 H new ATOM 0 HG22 ILE B 44 14.612 2.805 4.971 1.00 0.00 H new ATOM 0 HG23 ILE B 44 14.567 3.303 6.679 1.00 0.00 H new ATOM 0 HD11 ILE B 44 13.425 -0.015 8.934 1.00 0.00 H new ATOM 0 HD12 ILE B 44 13.601 -0.515 7.236 1.00 0.00 H new ATOM 0 HD13 ILE B 44 14.698 0.707 7.921 1.00 0.00 H new ATOM 1328 N ARG B 45 9.866 2.342 6.665 1.00 0.00 N ATOM 1329 CA ARG B 45 8.514 1.789 6.624 1.00 0.00 C ATOM 1330 C ARG B 45 7.598 2.676 5.790 1.00 0.00 C ATOM 1331 O ARG B 45 6.844 2.196 4.942 1.00 0.00 O ATOM 1332 CB ARG B 45 7.953 1.661 8.040 1.00 0.00 C ATOM 1333 CG ARG B 45 8.850 0.868 8.978 1.00 0.00 C ATOM 1334 CD ARG B 45 8.264 0.781 10.377 1.00 0.00 C ATOM 1335 NE ARG B 45 9.158 0.082 11.300 1.00 0.00 N ATOM 1336 CZ ARG B 45 8.923 -0.065 12.603 1.00 0.00 C ATOM 1337 NH1 ARG B 45 7.817 0.429 13.143 1.00 0.00 N ATOM 1338 NH2 ARG B 45 9.795 -0.713 13.363 1.00 0.00 N ATOM 0 H ARG B 45 10.189 2.593 7.599 1.00 0.00 H new ATOM 0 HA ARG B 45 8.562 0.801 6.165 1.00 0.00 H new ATOM 0 HB2 ARG B 45 7.800 2.658 8.453 1.00 0.00 H new ATOM 0 HB3 ARG B 45 6.975 1.181 7.993 1.00 0.00 H new ATOM 0 HG2 ARG B 45 8.994 -0.137 8.581 1.00 0.00 H new ATOM 0 HG3 ARG B 45 9.833 1.337 9.024 1.00 0.00 H new ATOM 0 HD2 ARG B 45 8.068 1.786 10.752 1.00 0.00 H new ATOM 0 HD3 ARG B 45 7.306 0.263 10.338 1.00 0.00 H new ATOM 0 HE ARG B 45 10.016 -0.319 10.922 1.00 0.00 H new ATOM 0 HH11 ARG B 45 7.142 0.924 12.560 1.00 0.00 H new ATOM 0 HH12 ARG B 45 7.641 0.314 14.141 1.00 0.00 H new ATOM 0 HH21 ARG B 45 10.644 -1.098 12.950 1.00 0.00 H new ATOM 0 HH22 ARG B 45 9.617 -0.826 14.361 1.00 0.00 H new ATOM 1352 N MET B 46 7.687 3.975 6.028 1.00 0.00 N ATOM 1353 CA MET B 46 6.871 4.941 5.312 1.00 0.00 C ATOM 1354 C MET B 46 7.305 5.059 3.859 1.00 0.00 C ATOM 1355 O MET B 46 6.494 5.381 2.997 1.00 0.00 O ATOM 1356 CB MET B 46 6.934 6.305 5.997 1.00 0.00 C ATOM 1357 CG MET B 46 5.978 6.436 7.170 1.00 0.00 C ATOM 1358 SD MET B 46 6.190 7.977 8.077 1.00 0.00 S ATOM 1359 CE MET B 46 5.802 9.160 6.793 1.00 0.00 C ATOM 0 H MET B 46 8.319 4.385 6.715 1.00 0.00 H new ATOM 0 HA MET B 46 5.840 4.586 5.328 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.952 6.481 6.346 1.00 0.00 H new ATOM 0 HB3 MET B 46 6.709 7.081 5.266 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.953 6.373 6.806 1.00 0.00 H new ATOM 0 HG3 MET B 46 6.127 5.597 7.849 1.00 0.00 H new ATOM 0 HE1 MET B 46 6.721 9.625 6.437 1.00 0.00 H new ATOM 0 HE2 MET B 46 5.309 8.650 5.965 1.00 0.00 H new ATOM 0 HE3 MET B 46 5.139 9.927 7.193 1.00 0.00 H new ATOM 1369 N VAL B 47 8.581 4.794 3.593 1.00 0.00 N ATOM 1370 CA VAL B 47 9.098 4.816 2.228 1.00 0.00 C ATOM 1371 C VAL B 47 8.395 3.767 1.375 1.00 0.00 C ATOM 1372 O VAL B 47 7.928 4.058 0.276 1.00 0.00 O ATOM 1373 CB VAL B 47 10.621 4.568 2.186 1.00 0.00 C ATOM 1374 CG1 VAL B 47 11.136 4.571 0.752 1.00 0.00 C ATOM 1375 CG2 VAL B 47 11.350 5.610 3.013 1.00 0.00 C ATOM 0 H VAL B 47 9.275 4.562 4.303 1.00 0.00 H new ATOM 0 HA VAL B 47 8.901 5.810 1.827 1.00 0.00 H new ATOM 0 HB VAL B 47 10.816 3.584 2.613 1.00 0.00 H new ATOM 0 HG11 VAL B 47 12.212 4.394 0.751 1.00 0.00 H new ATOM 0 HG12 VAL B 47 10.638 3.784 0.185 1.00 0.00 H new ATOM 0 HG13 VAL B 47 10.927 5.537 0.292 1.00 0.00 H new ATOM 0 HG21 VAL B 47 12.423 5.421 2.973 1.00 0.00 H new ATOM 0 HG22 VAL B 47 11.141 6.603 2.614 1.00 0.00 H new ATOM 0 HG23 VAL B 47 11.010 5.556 4.047 1.00 0.00 H new ATOM 1385 N LEU B 48 8.306 2.551 1.898 1.00 0.00 N ATOM 1386 CA LEU B 48 7.626 1.469 1.196 1.00 0.00 C ATOM 1387 C LEU B 48 6.138 1.779 1.044 1.00 0.00 C ATOM 1388 O LEU B 48 5.535 1.495 0.006 1.00 0.00 O ATOM 1389 CB LEU B 48 7.826 0.141 1.937 1.00 0.00 C ATOM 1390 CG LEU B 48 9.273 -0.360 1.995 1.00 0.00 C ATOM 1391 CD1 LEU B 48 9.352 -1.673 2.754 1.00 0.00 C ATOM 1392 CD2 LEU B 48 9.841 -0.525 0.593 1.00 0.00 C ATOM 0 H LEU B 48 8.695 2.289 2.804 1.00 0.00 H new ATOM 0 HA LEU B 48 8.060 1.378 0.200 1.00 0.00 H new ATOM 0 HB2 LEU B 48 7.455 0.252 2.956 1.00 0.00 H new ATOM 0 HB3 LEU B 48 7.213 -0.621 1.456 1.00 0.00 H new ATOM 0 HG LEU B 48 9.870 0.383 2.523 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.387 -2.014 2.785 1.00 0.00 H new ATOM 0 HD12 LEU B 48 8.987 -1.528 3.771 1.00 0.00 H new ATOM 0 HD13 LEU B 48 8.739 -2.421 2.252 1.00 0.00 H new ATOM 0 HD21 LEU B 48 10.869 -0.881 0.657 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.240 -1.247 0.040 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.821 0.435 0.077 1.00 0.00 H new ATOM 1404 N ALA B 49 5.560 2.387 2.075 1.00 0.00 N ATOM 1405 CA ALA B 49 4.150 2.758 2.059 1.00 0.00 C ATOM 1406 C ALA B 49 3.866 3.840 1.017 1.00 0.00 C ATOM 1407 O ALA B 49 2.941 3.710 0.213 1.00 0.00 O ATOM 1408 CB ALA B 49 3.714 3.224 3.439 1.00 0.00 C ATOM 0 H ALA B 49 6.049 2.634 2.935 1.00 0.00 H new ATOM 0 HA ALA B 49 3.575 1.874 1.783 1.00 0.00 H new ATOM 0 HB1 ALA B 49 2.659 3.498 3.414 1.00 0.00 H new ATOM 0 HB2 ALA B 49 3.863 2.419 4.159 1.00 0.00 H new ATOM 0 HB3 ALA B 49 4.307 4.089 3.735 1.00 0.00 H new ATOM 1414 N ILE B 50 4.670 4.901 1.023 1.00 0.00 N ATOM 1415 CA ILE B 50 4.465 6.013 0.102 1.00 0.00 C ATOM 1416 C ILE B 50 4.832 5.607 -1.323 1.00 0.00 C ATOM 1417 O ILE B 50 4.296 6.151 -2.290 1.00 0.00 O ATOM 1418 CB ILE B 50 5.264 7.277 0.517 1.00 0.00 C ATOM 1419 CG1 ILE B 50 4.822 8.487 -0.315 1.00 0.00 C ATOM 1420 CG2 ILE B 50 6.762 7.051 0.363 1.00 0.00 C ATOM 1421 CD1 ILE B 50 5.479 9.787 0.099 1.00 0.00 C ATOM 0 H ILE B 50 5.465 5.013 1.652 1.00 0.00 H new ATOM 0 HA ILE B 50 3.406 6.266 0.143 1.00 0.00 H new ATOM 0 HB ILE B 50 5.056 7.478 1.568 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.046 8.296 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.740 8.596 -0.235 1.00 0.00 H new ATOM 0 HG21 ILE B 50 7.298 7.952 0.660 1.00 0.00 H new ATOM 0 HG22 ILE B 50 7.071 6.219 0.996 1.00 0.00 H new ATOM 0 HG23 ILE B 50 6.990 6.820 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE B 50 5.116 10.596 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.234 10.003 1.139 1.00 0.00 H new ATOM 0 HD13 ILE B 50 6.560 9.699 -0.009 1.00 0.00 H new ATOM 1433 N LEU B 51 5.734 4.641 -1.454 1.00 0.00 N ATOM 1434 CA LEU B 51 6.103 4.141 -2.764 1.00 0.00 C ATOM 1435 C LEU B 51 4.910 3.455 -3.406 1.00 0.00 C ATOM 1436 O LEU B 51 4.518 3.803 -4.516 1.00 0.00 O ATOM 1437 CB LEU B 51 7.269 3.160 -2.687 1.00 0.00 C ATOM 1438 CG LEU B 51 7.870 2.798 -4.045 1.00 0.00 C ATOM 1439 CD1 LEU B 51 8.847 3.870 -4.496 1.00 0.00 C ATOM 1440 CD2 LEU B 51 8.543 1.445 -3.993 1.00 0.00 C ATOM 0 H LEU B 51 6.217 4.195 -0.674 1.00 0.00 H new ATOM 0 HA LEU B 51 6.416 4.993 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU B 51 8.050 3.589 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU B 51 6.930 2.247 -2.197 1.00 0.00 H new ATOM 0 HG LEU B 51 7.061 2.742 -4.773 1.00 0.00 H new ATOM 0 HD11 LEU B 51 9.266 3.597 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.326 4.824 -4.582 1.00 0.00 H new ATOM 0 HD13 LEU B 51 9.651 3.960 -3.766 1.00 0.00 H new ATOM 0 HD21 LEU B 51 8.963 1.210 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU B 51 9.341 1.464 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU B 51 7.811 0.685 -3.720 1.00 0.00 H new ATOM 1452 N ALA B 52 4.329 2.488 -2.693 1.00 0.00 N ATOM 1453 CA ALA B 52 3.153 1.775 -3.182 1.00 0.00 C ATOM 1454 C ALA B 52 2.033 2.752 -3.486 1.00 0.00 C ATOM 1455 O ALA B 52 1.320 2.608 -4.481 1.00 0.00 O ATOM 1456 CB ALA B 52 2.681 0.750 -2.170 1.00 0.00 C ATOM 0 H ALA B 52 4.655 2.183 -1.776 1.00 0.00 H new ATOM 0 HA ALA B 52 3.432 1.254 -4.098 1.00 0.00 H new ATOM 0 HB1 ALA B 52 1.804 0.233 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA B 52 3.476 0.028 -1.986 1.00 0.00 H new ATOM 0 HB3 ALA B 52 2.423 1.252 -1.237 1.00 0.00 H new ATOM 1462 N PHE B 53 1.893 3.744 -2.615 1.00 0.00 N ATOM 1463 CA PHE B 53 0.969 4.841 -2.835 1.00 0.00 C ATOM 1464 C PHE B 53 1.195 5.440 -4.219 1.00 0.00 C ATOM 1465 O PHE B 53 0.315 5.393 -5.070 1.00 0.00 O ATOM 1466 CB PHE B 53 1.163 5.902 -1.744 1.00 0.00 C ATOM 1467 CG PHE B 53 0.395 7.176 -1.961 1.00 0.00 C ATOM 1468 CD1 PHE B 53 -0.979 7.211 -1.804 1.00 0.00 C ATOM 1469 CD2 PHE B 53 1.056 8.343 -2.312 1.00 0.00 C ATOM 1470 CE1 PHE B 53 -1.681 8.387 -1.994 1.00 0.00 C ATOM 1471 CE2 PHE B 53 0.359 9.519 -2.504 1.00 0.00 C ATOM 1472 CZ PHE B 53 -1.011 9.542 -2.346 1.00 0.00 C ATOM 0 H PHE B 53 2.416 3.807 -1.741 1.00 0.00 H new ATOM 0 HA PHE B 53 -0.055 4.472 -2.785 1.00 0.00 H new ATOM 0 HB2 PHE B 53 0.868 5.475 -0.785 1.00 0.00 H new ATOM 0 HB3 PHE B 53 2.224 6.141 -1.674 1.00 0.00 H new ATOM 0 HD1 PHE B 53 -1.509 6.311 -1.530 1.00 0.00 H new ATOM 0 HD2 PHE B 53 2.129 8.332 -2.437 1.00 0.00 H new ATOM 0 HE1 PHE B 53 -2.753 8.402 -1.867 1.00 0.00 H new ATOM 0 HE2 PHE B 53 0.886 10.421 -2.778 1.00 0.00 H new ATOM 0 HZ PHE B 53 -1.558 10.461 -2.497 1.00 0.00 H new ATOM 1482 N LEU B 54 2.395 5.949 -4.451 1.00 0.00 N ATOM 1483 CA LEU B 54 2.742 6.584 -5.721 1.00 0.00 C ATOM 1484 C LEU B 54 2.672 5.601 -6.895 1.00 0.00 C ATOM 1485 O LEU B 54 2.506 6.011 -8.040 1.00 0.00 O ATOM 1486 CB LEU B 54 4.142 7.199 -5.633 1.00 0.00 C ATOM 1487 CG LEU B 54 4.284 8.351 -4.633 1.00 0.00 C ATOM 1488 CD1 LEU B 54 5.741 8.768 -4.495 1.00 0.00 C ATOM 1489 CD2 LEU B 54 3.431 9.537 -5.060 1.00 0.00 C ATOM 0 H LEU B 54 3.155 5.936 -3.771 1.00 0.00 H new ATOM 0 HA LEU B 54 2.008 7.368 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU B 54 4.850 6.415 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU B 54 4.426 7.559 -6.622 1.00 0.00 H new ATOM 0 HG LEU B 54 3.933 8.003 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU B 54 5.819 9.587 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU B 54 6.330 7.921 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU B 54 6.119 9.095 -5.464 1.00 0.00 H new ATOM 0 HD21 LEU B 54 3.545 10.346 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU B 54 3.752 9.881 -6.043 1.00 0.00 H new ATOM 0 HD23 LEU B 54 2.385 9.235 -5.105 1.00 0.00 H new ATOM 1501 N ARG B 55 2.796 4.309 -6.614 1.00 0.00 N ATOM 1502 CA ARG B 55 2.713 3.293 -7.660 1.00 0.00 C ATOM 1503 C ARG B 55 1.284 3.138 -8.161 1.00 0.00 C ATOM 1504 O ARG B 55 1.044 3.047 -9.363 1.00 0.00 O ATOM 1505 CB ARG B 55 3.215 1.937 -7.156 1.00 0.00 C ATOM 1506 CG ARG B 55 4.682 1.922 -6.769 1.00 0.00 C ATOM 1507 CD ARG B 55 5.589 2.207 -7.956 1.00 0.00 C ATOM 1508 NE ARG B 55 5.373 1.267 -9.053 1.00 0.00 N ATOM 1509 CZ ARG B 55 6.266 1.012 -10.007 1.00 0.00 C ATOM 1510 NH1 ARG B 55 7.458 1.596 -9.986 1.00 0.00 N ATOM 1511 NH2 ARG B 55 5.966 0.163 -10.980 1.00 0.00 N ATOM 0 H ARG B 55 2.954 3.940 -5.676 1.00 0.00 H new ATOM 0 HA ARG B 55 3.348 3.627 -8.481 1.00 0.00 H new ATOM 0 HB2 ARG B 55 2.620 1.640 -6.292 1.00 0.00 H new ATOM 0 HB3 ARG B 55 3.048 1.189 -7.931 1.00 0.00 H new ATOM 0 HG2 ARG B 55 4.859 2.665 -5.991 1.00 0.00 H new ATOM 0 HG3 ARG B 55 4.935 0.950 -6.345 1.00 0.00 H new ATOM 0 HD2 ARG B 55 5.413 3.223 -8.310 1.00 0.00 H new ATOM 0 HD3 ARG B 55 6.630 2.157 -7.636 1.00 0.00 H new ATOM 0 HE ARG B 55 4.481 0.774 -9.091 1.00 0.00 H new ATOM 0 HH11 ARG B 55 7.695 2.245 -9.236 1.00 0.00 H new ATOM 0 HH12 ARG B 55 8.137 1.396 -10.720 1.00 0.00 H new ATOM 0 HH21 ARG B 55 5.053 -0.292 -10.996 1.00 0.00 H new ATOM 0 HH22 ARG B 55 6.648 -0.035 -11.713 1.00 0.00 H new ATOM 1525 N PHE B 56 0.338 3.104 -7.234 1.00 0.00 N ATOM 1526 CA PHE B 56 -1.052 2.856 -7.584 1.00 0.00 C ATOM 1527 C PHE B 56 -1.849 4.147 -7.727 1.00 0.00 C ATOM 1528 O PHE B 56 -2.950 4.139 -8.275 1.00 0.00 O ATOM 1529 CB PHE B 56 -1.700 1.934 -6.549 1.00 0.00 C ATOM 1530 CG PHE B 56 -1.310 0.495 -6.718 1.00 0.00 C ATOM 1531 CD1 PHE B 56 -2.086 -0.356 -7.488 1.00 0.00 C ATOM 1532 CD2 PHE B 56 -0.167 -0.007 -6.117 1.00 0.00 C ATOM 1533 CE1 PHE B 56 -1.729 -1.679 -7.657 1.00 0.00 C ATOM 1534 CE2 PHE B 56 0.194 -1.330 -6.281 1.00 0.00 C ATOM 1535 CZ PHE B 56 -0.589 -2.167 -7.053 1.00 0.00 C ATOM 0 H PHE B 56 0.507 3.244 -6.238 1.00 0.00 H new ATOM 0 HA PHE B 56 -1.063 2.365 -8.557 1.00 0.00 H new ATOM 0 HB2 PHE B 56 -1.419 2.266 -5.549 1.00 0.00 H new ATOM 0 HB3 PHE B 56 -2.784 2.022 -6.621 1.00 0.00 H new ATOM 0 HD1 PHE B 56 -2.981 0.020 -7.962 1.00 0.00 H new ATOM 0 HD2 PHE B 56 0.449 0.644 -5.513 1.00 0.00 H new ATOM 0 HE1 PHE B 56 -2.342 -2.331 -8.262 1.00 0.00 H new ATOM 0 HE2 PHE B 56 1.087 -1.710 -5.807 1.00 0.00 H new ATOM 0 HZ PHE B 56 -0.309 -3.202 -7.183 1.00 0.00 H new ATOM 1545 N THR B 57 -1.305 5.253 -7.239 1.00 0.00 N ATOM 1546 CA THR B 57 -1.998 6.535 -7.367 1.00 0.00 C ATOM 1547 C THR B 57 -1.424 7.374 -8.503 1.00 0.00 C ATOM 1548 O THR B 57 -2.106 8.238 -9.060 1.00 0.00 O ATOM 1549 CB THR B 57 -1.954 7.359 -6.061 1.00 0.00 C ATOM 1550 OG1 THR B 57 -0.604 7.705 -5.738 1.00 0.00 O ATOM 1551 CG2 THR B 57 -2.562 6.582 -4.904 1.00 0.00 C ATOM 0 H THR B 57 -0.405 5.294 -6.760 1.00 0.00 H new ATOM 0 HA THR B 57 -3.037 6.290 -7.589 1.00 0.00 H new ATOM 0 HB THR B 57 -2.537 8.266 -6.221 1.00 0.00 H new ATOM 0 HG1 THR B 57 -0.044 6.901 -5.769 1.00 0.00 H new ATOM 0 HG21 THR B 57 -2.518 7.185 -3.997 1.00 0.00 H new ATOM 0 HG22 THR B 57 -3.601 6.344 -5.132 1.00 0.00 H new ATOM 0 HG23 THR B 57 -2.003 5.658 -4.753 1.00 0.00 H new ATOM 1559 N ALA B 58 -0.180 7.106 -8.854 1.00 0.00 N ATOM 1560 CA ALA B 58 0.513 7.889 -9.864 1.00 0.00 C ATOM 1561 C ALA B 58 1.184 6.981 -10.882 1.00 0.00 C ATOM 1562 O ALA B 58 0.867 5.794 -10.964 1.00 0.00 O ATOM 1563 CB ALA B 58 1.534 8.810 -9.209 1.00 0.00 C ATOM 0 H ALA B 58 0.374 6.349 -8.454 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.220 8.502 -10.389 1.00 0.00 H new ATOM 0 HB1 ALA B 58 2.046 9.390 -9.977 1.00 0.00 H new ATOM 0 HB2 ALA B 58 1.026 9.486 -8.521 1.00 0.00 H new ATOM 0 HB3 ALA B 58 2.262 8.214 -8.660 1.00 0.00 H new ATOM 1569 N ILE B 59 2.095 7.537 -11.662 1.00 0.00 N ATOM 1570 CA ILE B 59 2.808 6.759 -12.662 1.00 0.00 C ATOM 1571 C ILE B 59 4.109 6.236 -12.102 1.00 0.00 C ATOM 1572 O ILE B 59 4.286 5.036 -11.892 1.00 0.00 O ATOM 1573 CB ILE B 59 3.082 7.580 -13.945 1.00 0.00 C ATOM 1574 CG1 ILE B 59 1.770 8.118 -14.531 1.00 0.00 C ATOM 1575 CG2 ILE B 59 3.818 6.734 -14.978 1.00 0.00 C ATOM 1576 CD1 ILE B 59 0.780 7.038 -14.921 1.00 0.00 C ATOM 0 H ILE B 59 2.358 8.522 -11.623 1.00 0.00 H new ATOM 0 HA ILE B 59 2.168 5.919 -12.930 1.00 0.00 H new ATOM 0 HB ILE B 59 3.715 8.427 -13.679 1.00 0.00 H new ATOM 0 HG12 ILE B 59 1.302 8.779 -13.801 1.00 0.00 H new ATOM 0 HG13 ILE B 59 1.997 8.723 -15.409 1.00 0.00 H new ATOM 0 HG21 ILE B 59 4.001 7.330 -15.872 1.00 0.00 H new ATOM 0 HG22 ILE B 59 4.769 6.400 -14.564 1.00 0.00 H new ATOM 0 HG23 ILE B 59 3.211 5.867 -15.238 1.00 0.00 H new ATOM 0 HD11 ILE B 59 -0.121 7.499 -15.326 1.00 0.00 H new ATOM 0 HD12 ILE B 59 1.227 6.390 -15.675 1.00 0.00 H new ATOM 0 HD13 ILE B 59 0.521 6.447 -14.042 1.00 0.00 H new ATOM 1588 N LYS B 60 4.995 7.153 -11.848 1.00 0.00 N ATOM 1589 CA LYS B 60 6.319 6.829 -11.338 1.00 0.00 C ATOM 1590 C LYS B 60 6.671 7.702 -10.136 1.00 0.00 C ATOM 1591 O LYS B 60 6.572 8.928 -10.198 1.00 0.00 O ATOM 1592 CB LYS B 60 7.375 7.000 -12.435 1.00 0.00 C ATOM 1593 CG LYS B 60 8.774 6.602 -11.987 1.00 0.00 C ATOM 1594 CD LYS B 60 9.783 6.712 -13.115 1.00 0.00 C ATOM 1595 CE LYS B 60 11.180 6.351 -12.635 1.00 0.00 C ATOM 1596 NZ LYS B 60 12.186 6.448 -13.722 1.00 0.00 N ATOM 0 H LYS B 60 4.832 8.151 -11.984 1.00 0.00 H new ATOM 0 HA LYS B 60 6.308 5.787 -11.017 1.00 0.00 H new ATOM 0 HB2 LYS B 60 7.092 6.399 -13.299 1.00 0.00 H new ATOM 0 HB3 LYS B 60 7.387 8.040 -12.760 1.00 0.00 H new ATOM 0 HG2 LYS B 60 9.085 7.239 -11.159 1.00 0.00 H new ATOM 0 HG3 LYS B 60 8.758 5.578 -11.613 1.00 0.00 H new ATOM 0 HD2 LYS B 60 9.494 6.051 -13.932 1.00 0.00 H new ATOM 0 HD3 LYS B 60 9.782 7.728 -13.511 1.00 0.00 H new ATOM 0 HE2 LYS B 60 11.465 7.014 -11.818 1.00 0.00 H new ATOM 0 HE3 LYS B 60 11.175 5.337 -12.236 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 13.124 6.194 -13.351 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 11.930 5.797 -14.491 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 12.211 7.422 -14.086 1.00 0.00 H new ATOM 1610 N PRO B 61 7.069 7.070 -9.018 1.00 0.00 N ATOM 1611 CA PRO B 61 7.514 7.780 -7.811 1.00 0.00 C ATOM 1612 C PRO B 61 8.777 8.604 -8.053 1.00 0.00 C ATOM 1613 O PRO B 61 9.601 8.269 -8.910 1.00 0.00 O ATOM 1614 CB PRO B 61 7.808 6.653 -6.812 1.00 0.00 C ATOM 1615 CG PRO B 61 7.090 5.462 -7.342 1.00 0.00 C ATOM 1616 CD PRO B 61 7.098 5.611 -8.834 1.00 0.00 C ATOM 0 HA PRO B 61 6.763 8.491 -7.466 1.00 0.00 H new ATOM 0 HB2 PRO B 61 8.879 6.465 -6.735 1.00 0.00 H new ATOM 0 HB3 PRO B 61 7.457 6.911 -5.813 1.00 0.00 H new ATOM 0 HG2 PRO B 61 7.585 4.540 -7.038 1.00 0.00 H new ATOM 0 HG3 PRO B 61 6.071 5.417 -6.959 1.00 0.00 H new ATOM 0 HD2 PRO B 61 7.987 5.165 -9.280 1.00 0.00 H new ATOM 0 HD3 PRO B 61 6.235 5.129 -9.293 1.00 0.00 H new ATOM 1624 N SER B 62 8.918 9.681 -7.290 1.00 0.00 N ATOM 1625 CA SER B 62 10.071 10.567 -7.396 1.00 0.00 C ATOM 1626 C SER B 62 11.354 9.851 -6.977 1.00 0.00 C ATOM 1627 O SER B 62 11.347 8.991 -6.092 1.00 0.00 O ATOM 1628 CB SER B 62 9.847 11.798 -6.519 1.00 0.00 C ATOM 1629 OG SER B 62 8.580 12.379 -6.777 1.00 0.00 O ATOM 0 H SER B 62 8.239 9.964 -6.583 1.00 0.00 H new ATOM 0 HA SER B 62 10.181 10.873 -8.436 1.00 0.00 H new ATOM 0 HB2 SER B 62 9.916 11.518 -5.468 1.00 0.00 H new ATOM 0 HB3 SER B 62 10.632 12.530 -6.706 1.00 0.00 H new ATOM 0 HG SER B 62 8.457 13.164 -6.204 1.00 0.00 H new ATOM 1635 N LEU B 63 12.458 10.239 -7.616 1.00 0.00 N ATOM 1636 CA LEU B 63 13.748 9.579 -7.438 1.00 0.00 C ATOM 1637 C LEU B 63 14.267 9.717 -6.011 1.00 0.00 C ATOM 1638 O LEU B 63 15.143 8.963 -5.593 1.00 0.00 O ATOM 1639 CB LEU B 63 14.775 10.146 -8.419 1.00 0.00 C ATOM 1640 CG LEU B 63 14.432 9.972 -9.900 1.00 0.00 C ATOM 1641 CD1 LEU B 63 15.516 10.585 -10.769 1.00 0.00 C ATOM 1642 CD2 LEU B 63 14.246 8.501 -10.242 1.00 0.00 C ATOM 0 H LEU B 63 12.481 11.020 -8.271 1.00 0.00 H new ATOM 0 HA LEU B 63 13.599 8.518 -7.638 1.00 0.00 H new ATOM 0 HB2 LEU B 63 14.899 11.209 -8.215 1.00 0.00 H new ATOM 0 HB3 LEU B 63 15.737 9.670 -8.228 1.00 0.00 H new ATOM 0 HG LEU B 63 13.493 10.489 -10.097 1.00 0.00 H new ATOM 0 HD11 LEU B 63 15.258 10.453 -11.820 1.00 0.00 H new ATOM 0 HD12 LEU B 63 15.602 11.649 -10.547 1.00 0.00 H new ATOM 0 HD13 LEU B 63 16.467 10.094 -10.565 1.00 0.00 H new ATOM 0 HD21 LEU B 63 14.003 8.401 -11.300 1.00 0.00 H new ATOM 0 HD22 LEU B 63 15.167 7.959 -10.029 1.00 0.00 H new ATOM 0 HD23 LEU B 63 13.435 8.088 -9.643 1.00 0.00 H new ATOM 1654 N GLY B 64 13.742 10.691 -5.276 1.00 0.00 N ATOM 1655 CA GLY B 64 14.088 10.830 -3.875 1.00 0.00 C ATOM 1656 C GLY B 64 13.637 9.629 -3.069 1.00 0.00 C ATOM 1657 O GLY B 64 14.398 9.083 -2.264 1.00 0.00 O ATOM 0 H GLY B 64 13.083 11.386 -5.626 1.00 0.00 H new ATOM 0 HA2 GLY B 64 15.167 10.951 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY B 64 13.627 11.733 -3.473 1.00 0.00 H new ATOM 1661 N LEU B 65 12.401 9.205 -3.303 1.00 0.00 N ATOM 1662 CA LEU B 65 11.860 8.026 -2.645 1.00 0.00 C ATOM 1663 C LEU B 65 12.588 6.786 -3.140 1.00 0.00 C ATOM 1664 O LEU B 65 12.887 5.885 -2.368 1.00 0.00 O ATOM 1665 CB LEU B 65 10.351 7.884 -2.901 1.00 0.00 C ATOM 1666 CG LEU B 65 9.446 8.935 -2.237 1.00 0.00 C ATOM 1667 CD1 LEU B 65 9.769 9.070 -0.756 1.00 0.00 C ATOM 1668 CD2 LEU B 65 9.553 10.282 -2.938 1.00 0.00 C ATOM 0 H LEU B 65 11.754 9.663 -3.946 1.00 0.00 H new ATOM 0 HA LEU B 65 12.009 8.137 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU B 65 10.182 7.918 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU B 65 10.037 6.898 -2.560 1.00 0.00 H new ATOM 0 HG LEU B 65 8.416 8.592 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU B 65 9.116 9.819 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU B 65 9.614 8.111 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU B 65 10.808 9.377 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU B 65 8.901 11.002 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU B 65 10.583 10.635 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU B 65 9.252 10.175 -3.980 1.00 0.00 H new ATOM 1680 N ILE B 66 12.890 6.771 -4.434 1.00 0.00 N ATOM 1681 CA ILE B 66 13.622 5.669 -5.054 1.00 0.00 C ATOM 1682 C ILE B 66 15.017 5.526 -4.439 1.00 0.00 C ATOM 1683 O ILE B 66 15.535 4.418 -4.281 1.00 0.00 O ATOM 1684 CB ILE B 66 13.750 5.887 -6.580 1.00 0.00 C ATOM 1685 CG1 ILE B 66 12.363 6.023 -7.216 1.00 0.00 C ATOM 1686 CG2 ILE B 66 14.530 4.753 -7.233 1.00 0.00 C ATOM 1687 CD1 ILE B 66 11.502 4.782 -7.093 1.00 0.00 C ATOM 0 H ILE B 66 12.636 7.518 -5.081 1.00 0.00 H new ATOM 0 HA ILE B 66 13.059 4.754 -4.871 1.00 0.00 H new ATOM 0 HB ILE B 66 14.303 6.812 -6.746 1.00 0.00 H new ATOM 0 HG12 ILE B 66 11.843 6.861 -6.752 1.00 0.00 H new ATOM 0 HG13 ILE B 66 12.481 6.267 -8.272 1.00 0.00 H new ATOM 0 HG21 ILE B 66 14.604 4.933 -8.305 1.00 0.00 H new ATOM 0 HG22 ILE B 66 15.530 4.705 -6.803 1.00 0.00 H new ATOM 0 HG23 ILE B 66 14.014 3.809 -7.058 1.00 0.00 H new ATOM 0 HD11 ILE B 66 10.537 4.960 -7.568 1.00 0.00 H new ATOM 0 HD12 ILE B 66 11.999 3.945 -7.583 1.00 0.00 H new ATOM 0 HD13 ILE B 66 11.350 4.548 -6.039 1.00 0.00 H new ATOM 1699 N ASN B 67 15.617 6.653 -4.086 1.00 0.00 N ATOM 1700 CA ASN B 67 16.939 6.657 -3.471 1.00 0.00 C ATOM 1701 C ASN B 67 16.881 6.072 -2.065 1.00 0.00 C ATOM 1702 O ASN B 67 17.740 5.281 -1.677 1.00 0.00 O ATOM 1703 CB ASN B 67 17.507 8.078 -3.426 1.00 0.00 C ATOM 1704 CG ASN B 67 18.888 8.133 -2.799 1.00 0.00 C ATOM 1705 OD1 ASN B 67 19.028 8.302 -1.587 1.00 0.00 O ATOM 1706 ND2 ASN B 67 19.917 8.000 -3.621 1.00 0.00 N ATOM 0 H ASN B 67 15.210 7.579 -4.215 1.00 0.00 H new ATOM 0 HA ASN B 67 17.597 6.036 -4.079 1.00 0.00 H new ATOM 0 HB2 ASN B 67 17.555 8.479 -4.439 1.00 0.00 H new ATOM 0 HB3 ASN B 67 16.830 8.719 -2.862 1.00 0.00 H new ATOM 0 HD21 ASN B 67 20.869 8.036 -3.256 1.00 0.00 H new ATOM 0 HD22 ASN B 67 19.758 7.862 -4.619 1.00 0.00 H new ATOM 1713 N ARG B 68 15.852 6.445 -1.315 1.00 0.00 N ATOM 1714 CA ARG B 68 15.702 5.977 0.062 1.00 0.00 C ATOM 1715 C ARG B 68 15.143 4.555 0.075 1.00 0.00 C ATOM 1716 O ARG B 68 15.253 3.832 1.065 1.00 0.00 O ATOM 1717 CB ARG B 68 14.780 6.923 0.835 1.00 0.00 C ATOM 1718 CG ARG B 68 14.913 6.817 2.346 1.00 0.00 C ATOM 1719 CD ARG B 68 14.013 7.820 3.053 1.00 0.00 C ATOM 1720 NE ARG B 68 14.229 9.184 2.574 1.00 0.00 N ATOM 1721 CZ ARG B 68 13.338 10.168 2.692 1.00 0.00 C ATOM 1722 NH1 ARG B 68 12.185 9.959 3.319 1.00 0.00 N ATOM 1723 NH2 ARG B 68 13.606 11.367 2.192 1.00 0.00 N ATOM 0 H ARG B 68 15.110 7.068 -1.633 1.00 0.00 H new ATOM 0 HA ARG B 68 16.679 5.968 0.545 1.00 0.00 H new ATOM 0 HB2 ARG B 68 14.992 7.949 0.533 1.00 0.00 H new ATOM 0 HB3 ARG B 68 13.747 6.716 0.556 1.00 0.00 H new ATOM 0 HG2 ARG B 68 14.657 5.807 2.666 1.00 0.00 H new ATOM 0 HG3 ARG B 68 15.950 6.989 2.635 1.00 0.00 H new ATOM 0 HD2 ARG B 68 12.970 7.543 2.899 1.00 0.00 H new ATOM 0 HD3 ARG B 68 14.198 7.779 4.126 1.00 0.00 H new ATOM 0 HE ARG B 68 15.118 9.396 2.121 1.00 0.00 H new ATOM 0 HH11 ARG B 68 11.978 9.041 3.713 1.00 0.00 H new ATOM 0 HH12 ARG B 68 11.507 10.716 3.406 1.00 0.00 H new ATOM 0 HH21 ARG B 68 14.493 11.535 1.718 1.00 0.00 H new ATOM 0 HH22 ARG B 68 12.925 12.121 2.282 1.00 0.00 H new ATOM 1737 N TRP B 69 14.557 4.174 -1.049 1.00 0.00 N ATOM 1738 CA TRP B 69 13.974 2.852 -1.247 1.00 0.00 C ATOM 1739 C TRP B 69 15.020 1.757 -1.050 1.00 0.00 C ATOM 1740 O TRP B 69 14.793 0.785 -0.332 1.00 0.00 O ATOM 1741 CB TRP B 69 13.405 2.798 -2.662 1.00 0.00 C ATOM 1742 CG TRP B 69 12.570 1.599 -2.972 1.00 0.00 C ATOM 1743 CD1 TRP B 69 11.563 1.078 -2.221 1.00 0.00 C ATOM 1744 CD2 TRP B 69 12.652 0.798 -4.149 1.00 0.00 C ATOM 1745 NE1 TRP B 69 11.007 0.001 -2.865 1.00 0.00 N ATOM 1746 CE2 TRP B 69 11.662 -0.192 -4.053 1.00 0.00 C ATOM 1747 CE3 TRP B 69 13.472 0.824 -5.276 1.00 0.00 C ATOM 1748 CZ2 TRP B 69 11.465 -1.143 -5.047 1.00 0.00 C ATOM 1749 CZ3 TRP B 69 13.278 -0.119 -6.261 1.00 0.00 C ATOM 1750 CH2 TRP B 69 12.279 -1.090 -6.141 1.00 0.00 C ATOM 0 H TRP B 69 14.471 4.782 -1.863 1.00 0.00 H new ATOM 0 HA TRP B 69 13.186 2.681 -0.514 1.00 0.00 H new ATOM 0 HB2 TRP B 69 12.803 3.691 -2.828 1.00 0.00 H new ATOM 0 HB3 TRP B 69 14.233 2.836 -3.370 1.00 0.00 H new ATOM 0 HD1 TRP B 69 11.247 1.456 -1.260 1.00 0.00 H new ATOM 0 HE1 TRP B 69 10.232 -0.564 -2.516 1.00 0.00 H new ATOM 0 HE3 TRP B 69 14.246 1.571 -5.375 1.00 0.00 H new ATOM 0 HZ2 TRP B 69 10.696 -1.896 -4.957 1.00 0.00 H new ATOM 0 HZ3 TRP B 69 13.907 -0.108 -7.139 1.00 0.00 H new ATOM 0 HH2 TRP B 69 12.149 -1.814 -6.932 1.00 0.00 H new ATOM 1761 N GLY B 70 16.175 1.935 -1.676 1.00 0.00 N ATOM 1762 CA GLY B 70 17.240 0.955 -1.564 1.00 0.00 C ATOM 1763 C GLY B 70 17.990 1.053 -0.248 1.00 0.00 C ATOM 1764 O GLY B 70 18.920 0.286 0.001 1.00 0.00 O ATOM 0 H GLY B 70 16.395 2.741 -2.261 1.00 0.00 H new ATOM 0 HA2 GLY B 70 16.819 -0.046 -1.664 1.00 0.00 H new ATOM 0 HA3 GLY B 70 17.941 1.090 -2.388 1.00 0.00 H new ATOM 1768 N SER B 71 17.587 1.995 0.596 1.00 0.00 N ATOM 1769 CA SER B 71 18.230 2.188 1.889 1.00 0.00 C ATOM 1770 C SER B 71 17.528 1.365 2.967 1.00 0.00 C ATOM 1771 O SER B 71 17.964 1.321 4.121 1.00 0.00 O ATOM 1772 CB SER B 71 18.227 3.672 2.258 1.00 0.00 C ATOM 1773 OG SER B 71 18.820 4.446 1.226 1.00 0.00 O ATOM 0 H SER B 71 16.817 2.637 0.408 1.00 0.00 H new ATOM 0 HA SER B 71 19.263 1.846 1.821 1.00 0.00 H new ATOM 0 HB2 SER B 71 17.204 4.007 2.429 1.00 0.00 H new ATOM 0 HB3 SER B 71 18.772 3.821 3.190 1.00 0.00 H new ATOM 0 HG SER B 71 18.808 5.393 1.479 1.00 0.00 H new ATOM 1779 N VAL B 72 16.441 0.713 2.577 1.00 0.00 N ATOM 1780 CA VAL B 72 15.692 -0.147 3.481 1.00 0.00 C ATOM 1781 C VAL B 72 16.415 -1.481 3.654 1.00 0.00 C ATOM 1782 O VAL B 72 16.980 -2.019 2.694 1.00 0.00 O ATOM 1783 CB VAL B 72 14.263 -0.407 2.942 1.00 0.00 C ATOM 1784 CG1 VAL B 72 13.446 -1.230 3.929 1.00 0.00 C ATOM 1785 CG2 VAL B 72 13.557 0.903 2.623 1.00 0.00 C ATOM 0 H VAL B 72 16.057 0.765 1.634 1.00 0.00 H new ATOM 0 HA VAL B 72 15.618 0.359 4.443 1.00 0.00 H new ATOM 0 HB VAL B 72 14.355 -0.980 2.019 1.00 0.00 H new ATOM 0 HG11 VAL B 72 12.448 -1.397 3.525 1.00 0.00 H new ATOM 0 HG12 VAL B 72 13.935 -2.190 4.095 1.00 0.00 H new ATOM 0 HG13 VAL B 72 13.369 -0.693 4.875 1.00 0.00 H new ATOM 0 HG21 VAL B 72 12.556 0.694 2.246 1.00 0.00 H new ATOM 0 HG22 VAL B 72 13.486 1.508 3.527 1.00 0.00 H new ATOM 0 HG23 VAL B 72 14.123 1.447 1.867 1.00 0.00 H new ATOM 1795 N GLY B 73 16.424 -2.000 4.880 1.00 0.00 N ATOM 1796 CA GLY B 73 16.978 -3.307 5.119 1.00 0.00 C ATOM 1797 C GLY B 73 16.173 -4.358 4.401 1.00 0.00 C ATOM 1798 O GLY B 73 14.945 -4.325 4.432 1.00 0.00 O ATOM 0 H GLY B 73 16.055 -1.532 5.708 1.00 0.00 H new ATOM 0 HA2 GLY B 73 18.013 -3.338 4.779 1.00 0.00 H new ATOM 0 HA3 GLY B 73 16.987 -3.515 6.189 1.00 0.00 H new ATOM 1802 N LYS B 74 16.853 -5.287 3.760 1.00 0.00 N ATOM 1803 CA LYS B 74 16.187 -6.262 2.907 1.00 0.00 C ATOM 1804 C LYS B 74 15.350 -7.203 3.760 1.00 0.00 C ATOM 1805 O LYS B 74 14.281 -7.655 3.348 1.00 0.00 O ATOM 1806 CB LYS B 74 17.218 -7.043 2.086 1.00 0.00 C ATOM 1807 CG LYS B 74 18.356 -6.175 1.564 1.00 0.00 C ATOM 1808 CD LYS B 74 17.844 -5.041 0.692 1.00 0.00 C ATOM 1809 CE LYS B 74 18.926 -4.013 0.399 1.00 0.00 C ATOM 1810 NZ LYS B 74 19.295 -3.236 1.612 1.00 0.00 N ATOM 0 H LYS B 74 17.866 -5.391 3.811 1.00 0.00 H new ATOM 0 HA LYS B 74 15.528 -5.740 2.213 1.00 0.00 H new ATOM 0 HB2 LYS B 74 17.632 -7.842 2.701 1.00 0.00 H new ATOM 0 HB3 LYS B 74 16.716 -7.518 1.243 1.00 0.00 H new ATOM 0 HG2 LYS B 74 18.915 -5.764 2.405 1.00 0.00 H new ATOM 0 HG3 LYS B 74 19.049 -6.790 0.991 1.00 0.00 H new ATOM 0 HD2 LYS B 74 17.467 -5.447 -0.246 1.00 0.00 H new ATOM 0 HD3 LYS B 74 17.005 -4.553 1.188 1.00 0.00 H new ATOM 0 HE2 LYS B 74 19.810 -4.517 0.008 1.00 0.00 H new ATOM 0 HE3 LYS B 74 18.579 -3.331 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 19.905 -2.439 1.341 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 18.433 -2.873 2.067 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 19.805 -3.852 2.277 1.00 0.00 H new ATOM 1824 N LYS B 75 15.839 -7.468 4.963 1.00 0.00 N ATOM 1825 CA LYS B 75 15.106 -8.256 5.937 1.00 0.00 C ATOM 1826 C LYS B 75 13.896 -7.480 6.431 1.00 0.00 C ATOM 1827 O LYS B 75 12.780 -8.004 6.482 1.00 0.00 O ATOM 1828 CB LYS B 75 16.009 -8.602 7.122 1.00 0.00 C ATOM 1829 CG LYS B 75 15.297 -9.371 8.229 1.00 0.00 C ATOM 1830 CD LYS B 75 14.681 -10.664 7.712 1.00 0.00 C ATOM 1831 CE LYS B 75 13.797 -11.325 8.758 1.00 0.00 C ATOM 1832 NZ LYS B 75 14.557 -11.710 9.976 1.00 0.00 N ATOM 0 H LYS B 75 16.750 -7.144 5.288 1.00 0.00 H new ATOM 0 HA LYS B 75 14.773 -9.177 5.459 1.00 0.00 H new ATOM 0 HB2 LYS B 75 16.852 -9.193 6.765 1.00 0.00 H new ATOM 0 HB3 LYS B 75 16.419 -7.681 7.537 1.00 0.00 H new ATOM 0 HG2 LYS B 75 16.004 -9.599 9.027 1.00 0.00 H new ATOM 0 HG3 LYS B 75 14.517 -8.745 8.663 1.00 0.00 H new ATOM 0 HD2 LYS B 75 14.093 -10.455 6.818 1.00 0.00 H new ATOM 0 HD3 LYS B 75 15.473 -11.352 7.418 1.00 0.00 H new ATOM 0 HE2 LYS B 75 12.993 -10.643 9.034 1.00 0.00 H new ATOM 0 HE3 LYS B 75 13.330 -12.211 8.328 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 13.924 -12.202 10.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 15.340 -12.341 9.712 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 14.939 -10.856 10.431 1.00 0.00 H new ATOM 1846 N GLU B 76 14.131 -6.223 6.787 1.00 0.00 N ATOM 1847 CA GLU B 76 13.078 -5.360 7.290 1.00 0.00 C ATOM 1848 C GLU B 76 11.977 -5.222 6.249 1.00 0.00 C ATOM 1849 O GLU B 76 10.793 -5.314 6.569 1.00 0.00 O ATOM 1850 CB GLU B 76 13.640 -3.983 7.640 1.00 0.00 C ATOM 1851 CG GLU B 76 12.689 -3.130 8.463 1.00 0.00 C ATOM 1852 CD GLU B 76 12.606 -3.574 9.908 1.00 0.00 C ATOM 1853 OE1 GLU B 76 11.928 -4.582 10.194 1.00 0.00 O ATOM 1854 OE2 GLU B 76 13.215 -2.907 10.772 1.00 0.00 O ATOM 0 H GLU B 76 15.048 -5.780 6.735 1.00 0.00 H new ATOM 0 HA GLU B 76 12.662 -5.807 8.193 1.00 0.00 H new ATOM 0 HB2 GLU B 76 14.572 -4.109 8.192 1.00 0.00 H new ATOM 0 HB3 GLU B 76 13.884 -3.454 6.719 1.00 0.00 H new ATOM 0 HG2 GLU B 76 13.015 -2.091 8.425 1.00 0.00 H new ATOM 0 HG3 GLU B 76 11.695 -3.169 8.018 1.00 0.00 H new ATOM 1861 N ALA B 77 12.383 -5.029 4.997 1.00 0.00 N ATOM 1862 CA ALA B 77 11.444 -4.899 3.895 1.00 0.00 C ATOM 1863 C ALA B 77 10.562 -6.135 3.785 1.00 0.00 C ATOM 1864 O ALA B 77 9.354 -6.023 3.594 1.00 0.00 O ATOM 1865 CB ALA B 77 12.187 -4.657 2.590 1.00 0.00 C ATOM 0 H ALA B 77 13.363 -4.959 4.723 1.00 0.00 H new ATOM 0 HA ALA B 77 10.802 -4.041 4.094 1.00 0.00 H new ATOM 0 HB1 ALA B 77 11.469 -4.562 1.775 1.00 0.00 H new ATOM 0 HB2 ALA B 77 12.771 -3.740 2.668 1.00 0.00 H new ATOM 0 HB3 ALA B 77 12.854 -5.496 2.390 1.00 0.00 H new ATOM 1871 N MET B 78 11.170 -7.311 3.932 1.00 0.00 N ATOM 1872 CA MET B 78 10.432 -8.570 3.862 1.00 0.00 C ATOM 1873 C MET B 78 9.327 -8.604 4.904 1.00 0.00 C ATOM 1874 O MET B 78 8.197 -9.006 4.615 1.00 0.00 O ATOM 1875 CB MET B 78 11.362 -9.769 4.065 1.00 0.00 C ATOM 1876 CG MET B 78 12.300 -10.031 2.900 1.00 0.00 C ATOM 1877 SD MET B 78 13.290 -11.520 3.129 1.00 0.00 S ATOM 1878 CE MET B 78 14.201 -11.556 1.587 1.00 0.00 C ATOM 0 H MET B 78 12.170 -7.418 4.100 1.00 0.00 H new ATOM 0 HA MET B 78 9.990 -8.634 2.868 1.00 0.00 H new ATOM 0 HB2 MET B 78 11.955 -9.607 4.965 1.00 0.00 H new ATOM 0 HB3 MET B 78 10.757 -10.659 4.238 1.00 0.00 H new ATOM 0 HG2 MET B 78 11.718 -10.124 1.983 1.00 0.00 H new ATOM 0 HG3 MET B 78 12.962 -9.175 2.772 1.00 0.00 H new ATOM 0 HE1 MET B 78 14.347 -12.590 1.275 1.00 0.00 H new ATOM 0 HE2 MET B 78 13.640 -11.021 0.820 1.00 0.00 H new ATOM 0 HE3 MET B 78 15.171 -11.079 1.726 1.00 0.00 H new ATOM 1888 N GLU B 79 9.658 -8.167 6.109 1.00 0.00 N ATOM 1889 CA GLU B 79 8.707 -8.172 7.205 1.00 0.00 C ATOM 1890 C GLU B 79 7.653 -7.085 7.023 1.00 0.00 C ATOM 1891 O GLU B 79 6.474 -7.311 7.281 1.00 0.00 O ATOM 1892 CB GLU B 79 9.435 -8.007 8.536 1.00 0.00 C ATOM 1893 CG GLU B 79 10.420 -9.134 8.797 1.00 0.00 C ATOM 1894 CD GLU B 79 10.956 -9.148 10.212 1.00 0.00 C ATOM 1895 OE1 GLU B 79 11.991 -8.505 10.472 1.00 0.00 O ATOM 1896 OE2 GLU B 79 10.348 -9.819 11.074 1.00 0.00 O ATOM 0 H GLU B 79 10.580 -7.804 6.351 1.00 0.00 H new ATOM 0 HA GLU B 79 8.193 -9.133 7.208 1.00 0.00 H new ATOM 0 HB2 GLU B 79 9.966 -7.055 8.542 1.00 0.00 H new ATOM 0 HB3 GLU B 79 8.705 -7.970 9.345 1.00 0.00 H new ATOM 0 HG2 GLU B 79 9.933 -10.087 8.591 1.00 0.00 H new ATOM 0 HG3 GLU B 79 11.254 -9.046 8.101 1.00 0.00 H new ATOM 1903 N ILE B 80 8.078 -5.915 6.559 1.00 0.00 N ATOM 1904 CA ILE B 80 7.154 -4.810 6.309 1.00 0.00 C ATOM 1905 C ILE B 80 6.139 -5.191 5.238 1.00 0.00 C ATOM 1906 O ILE B 80 4.939 -4.998 5.415 1.00 0.00 O ATOM 1907 CB ILE B 80 7.896 -3.528 5.872 1.00 0.00 C ATOM 1908 CG1 ILE B 80 8.827 -3.047 6.983 1.00 0.00 C ATOM 1909 CG2 ILE B 80 6.901 -2.432 5.508 1.00 0.00 C ATOM 1910 CD1 ILE B 80 9.770 -1.948 6.549 1.00 0.00 C ATOM 0 H ILE B 80 9.054 -5.705 6.348 1.00 0.00 H new ATOM 0 HA ILE B 80 6.639 -4.607 7.248 1.00 0.00 H new ATOM 0 HB ILE B 80 8.494 -3.761 4.991 1.00 0.00 H new ATOM 0 HG12 ILE B 80 8.226 -2.690 7.820 1.00 0.00 H new ATOM 0 HG13 ILE B 80 9.411 -3.892 7.348 1.00 0.00 H new ATOM 0 HG21 ILE B 80 7.442 -1.536 5.203 1.00 0.00 H new ATOM 0 HG22 ILE B 80 6.269 -2.772 4.687 1.00 0.00 H new ATOM 0 HG23 ILE B 80 6.279 -2.203 6.374 1.00 0.00 H new ATOM 0 HD11 ILE B 80 10.400 -1.657 7.389 1.00 0.00 H new ATOM 0 HD12 ILE B 80 10.397 -2.307 5.733 1.00 0.00 H new ATOM 0 HD13 ILE B 80 9.194 -1.086 6.212 1.00 0.00 H new ATOM 1922 N ILE B 81 6.630 -5.746 4.136 1.00 0.00 N ATOM 1923 CA ILE B 81 5.768 -6.177 3.042 1.00 0.00 C ATOM 1924 C ILE B 81 4.793 -7.257 3.514 1.00 0.00 C ATOM 1925 O ILE B 81 3.630 -7.280 3.107 1.00 0.00 O ATOM 1926 CB ILE B 81 6.601 -6.697 1.845 1.00 0.00 C ATOM 1927 CG1 ILE B 81 7.440 -5.561 1.243 1.00 0.00 C ATOM 1928 CG2 ILE B 81 5.708 -7.322 0.782 1.00 0.00 C ATOM 1929 CD1 ILE B 81 6.622 -4.395 0.724 1.00 0.00 C ATOM 0 H ILE B 81 7.624 -5.908 3.976 1.00 0.00 H new ATOM 0 HA ILE B 81 5.197 -5.310 2.710 1.00 0.00 H new ATOM 0 HB ILE B 81 7.274 -7.471 2.214 1.00 0.00 H new ATOM 0 HG12 ILE B 81 8.134 -5.196 2.000 1.00 0.00 H new ATOM 0 HG13 ILE B 81 8.041 -5.961 0.426 1.00 0.00 H new ATOM 0 HG21 ILE B 81 6.322 -7.678 -0.046 1.00 0.00 H new ATOM 0 HG22 ILE B 81 5.160 -8.160 1.214 1.00 0.00 H new ATOM 0 HG23 ILE B 81 5.002 -6.577 0.416 1.00 0.00 H new ATOM 0 HD11 ILE B 81 7.289 -3.636 0.315 1.00 0.00 H new ATOM 0 HD12 ILE B 81 5.947 -4.743 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE B 81 6.041 -3.966 1.540 1.00 0.00 H new ATOM 1941 N LYS B 82 5.269 -8.133 4.393 1.00 0.00 N ATOM 1942 CA LYS B 82 4.425 -9.169 4.976 1.00 0.00 C ATOM 1943 C LYS B 82 3.289 -8.539 5.779 1.00 0.00 C ATOM 1944 O LYS B 82 2.124 -8.923 5.641 1.00 0.00 O ATOM 1945 CB LYS B 82 5.258 -10.085 5.879 1.00 0.00 C ATOM 1946 CG LYS B 82 4.450 -11.190 6.552 1.00 0.00 C ATOM 1947 CD LYS B 82 3.928 -12.216 5.555 1.00 0.00 C ATOM 1948 CE LYS B 82 4.973 -13.273 5.208 1.00 0.00 C ATOM 1949 NZ LYS B 82 6.170 -12.707 4.529 1.00 0.00 N ATOM 0 H LYS B 82 6.236 -8.146 4.717 1.00 0.00 H new ATOM 0 HA LYS B 82 3.997 -9.763 4.168 1.00 0.00 H new ATOM 0 HB2 LYS B 82 6.052 -10.539 5.286 1.00 0.00 H new ATOM 0 HB3 LYS B 82 5.740 -9.481 6.648 1.00 0.00 H new ATOM 0 HG2 LYS B 82 5.072 -11.691 7.293 1.00 0.00 H new ATOM 0 HG3 LYS B 82 3.610 -10.748 7.088 1.00 0.00 H new ATOM 0 HD2 LYS B 82 3.045 -12.704 5.968 1.00 0.00 H new ATOM 0 HD3 LYS B 82 3.614 -11.706 4.644 1.00 0.00 H new ATOM 0 HE2 LYS B 82 5.286 -13.780 6.121 1.00 0.00 H new ATOM 0 HE3 LYS B 82 4.519 -14.027 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 6.654 -13.457 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 5.875 -11.954 3.876 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 6.819 -12.314 5.240 1.00 0.00 H new ATOM 1963 N LYS B 83 3.641 -7.564 6.608 1.00 0.00 N ATOM 1964 CA LYS B 83 2.668 -6.857 7.433 1.00 0.00 C ATOM 1965 C LYS B 83 1.730 -6.031 6.563 1.00 0.00 C ATOM 1966 O LYS B 83 0.540 -5.907 6.859 1.00 0.00 O ATOM 1967 CB LYS B 83 3.386 -5.944 8.430 1.00 0.00 C ATOM 1968 CG LYS B 83 4.337 -6.682 9.355 1.00 0.00 C ATOM 1969 CD LYS B 83 5.198 -5.720 10.156 1.00 0.00 C ATOM 1970 CE LYS B 83 6.243 -6.463 10.970 1.00 0.00 C ATOM 1971 NZ LYS B 83 7.119 -5.535 11.733 1.00 0.00 N ATOM 0 H LYS B 83 4.602 -7.242 6.727 1.00 0.00 H new ATOM 0 HA LYS B 83 2.081 -7.595 7.981 1.00 0.00 H new ATOM 0 HB2 LYS B 83 3.943 -5.186 7.879 1.00 0.00 H new ATOM 0 HB3 LYS B 83 2.642 -5.420 9.030 1.00 0.00 H new ATOM 0 HG2 LYS B 83 3.766 -7.313 10.036 1.00 0.00 H new ATOM 0 HG3 LYS B 83 4.977 -7.342 8.769 1.00 0.00 H new ATOM 0 HD2 LYS B 83 5.690 -5.020 9.481 1.00 0.00 H new ATOM 0 HD3 LYS B 83 4.567 -5.131 10.821 1.00 0.00 H new ATOM 0 HE2 LYS B 83 5.747 -7.144 11.662 1.00 0.00 H new ATOM 0 HE3 LYS B 83 6.854 -7.073 10.305 1.00 0.00 H new ATOM 0 HZ1 LYS B 83 7.817 -6.083 12.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 83 7.613 -4.902 11.072 1.00 0.00 H new ATOM 0 HZ3 LYS B 83 6.540 -4.970 12.387 1.00 0.00 H new ATOM 1985 N PHE B 84 2.275 -5.473 5.492 1.00 0.00 N ATOM 1986 CA PHE B 84 1.501 -4.661 4.565 1.00 0.00 C ATOM 1987 C PHE B 84 0.404 -5.503 3.923 1.00 0.00 C ATOM 1988 O PHE B 84 -0.766 -5.121 3.922 1.00 0.00 O ATOM 1989 CB PHE B 84 2.418 -4.073 3.489 1.00 0.00 C ATOM 1990 CG PHE B 84 1.969 -2.735 2.973 1.00 0.00 C ATOM 1991 CD1 PHE B 84 2.645 -1.582 3.338 1.00 0.00 C ATOM 1992 CD2 PHE B 84 0.877 -2.627 2.128 1.00 0.00 C ATOM 1993 CE1 PHE B 84 2.241 -0.347 2.870 1.00 0.00 C ATOM 1994 CE2 PHE B 84 0.468 -1.394 1.657 1.00 0.00 C ATOM 1995 CZ PHE B 84 1.151 -0.253 2.028 1.00 0.00 C ATOM 0 H PHE B 84 3.259 -5.569 5.242 1.00 0.00 H new ATOM 0 HA PHE B 84 1.037 -3.842 5.114 1.00 0.00 H new ATOM 0 HB2 PHE B 84 3.424 -3.976 3.896 1.00 0.00 H new ATOM 0 HB3 PHE B 84 2.478 -4.772 2.655 1.00 0.00 H new ATOM 0 HD1 PHE B 84 3.498 -1.650 3.997 1.00 0.00 H new ATOM 0 HD2 PHE B 84 0.339 -3.516 1.834 1.00 0.00 H new ATOM 0 HE1 PHE B 84 2.777 0.544 3.162 1.00 0.00 H new ATOM 0 HE2 PHE B 84 -0.385 -1.323 0.999 1.00 0.00 H new ATOM 0 HZ PHE B 84 0.833 0.711 1.660 1.00 0.00 H new ATOM 2005 N LYS B 85 0.787 -6.667 3.405 1.00 0.00 N ATOM 2006 CA LYS B 85 -0.165 -7.585 2.790 1.00 0.00 C ATOM 2007 C LYS B 85 -1.184 -8.072 3.814 1.00 0.00 C ATOM 2008 O LYS B 85 -2.339 -8.341 3.477 1.00 0.00 O ATOM 2009 CB LYS B 85 0.558 -8.784 2.174 1.00 0.00 C ATOM 2010 CG LYS B 85 1.493 -8.424 1.031 1.00 0.00 C ATOM 2011 CD LYS B 85 2.142 -9.665 0.446 1.00 0.00 C ATOM 2012 CE LYS B 85 3.065 -9.326 -0.713 1.00 0.00 C ATOM 2013 NZ LYS B 85 3.738 -10.536 -1.254 1.00 0.00 N ATOM 0 H LYS B 85 1.752 -6.997 3.399 1.00 0.00 H new ATOM 0 HA LYS B 85 -0.687 -7.044 2.001 1.00 0.00 H new ATOM 0 HB2 LYS B 85 1.130 -9.289 2.952 1.00 0.00 H new ATOM 0 HB3 LYS B 85 -0.184 -9.496 1.812 1.00 0.00 H new ATOM 0 HG2 LYS B 85 0.937 -7.899 0.254 1.00 0.00 H new ATOM 0 HG3 LYS B 85 2.263 -7.741 1.388 1.00 0.00 H new ATOM 0 HD2 LYS B 85 2.708 -10.180 1.223 1.00 0.00 H new ATOM 0 HD3 LYS B 85 1.369 -10.354 0.105 1.00 0.00 H new ATOM 0 HE2 LYS B 85 2.492 -8.844 -1.505 1.00 0.00 H new ATOM 0 HE3 LYS B 85 3.817 -8.609 -0.382 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 4.660 -10.270 -1.655 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 3.879 -11.226 -0.489 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 3.146 -10.959 -1.997 1.00 0.00 H new ATOM 2027 N LYS B 86 -0.748 -8.175 5.065 1.00 0.00 N ATOM 2028 CA LYS B 86 -1.614 -8.616 6.148 1.00 0.00 C ATOM 2029 C LYS B 86 -2.726 -7.602 6.387 1.00 0.00 C ATOM 2030 O LYS B 86 -3.901 -7.963 6.497 1.00 0.00 O ATOM 2031 CB LYS B 86 -0.802 -8.809 7.432 1.00 0.00 C ATOM 2032 CG LYS B 86 -1.599 -9.410 8.581 1.00 0.00 C ATOM 2033 CD LYS B 86 -2.016 -10.844 8.292 1.00 0.00 C ATOM 2034 CE LYS B 86 -0.809 -11.761 8.172 1.00 0.00 C ATOM 2035 NZ LYS B 86 -1.201 -13.167 7.895 1.00 0.00 N ATOM 0 H LYS B 86 0.206 -7.957 5.353 1.00 0.00 H new ATOM 0 HA LYS B 86 -2.061 -9.569 5.864 1.00 0.00 H new ATOM 0 HB2 LYS B 86 0.050 -9.454 7.218 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -0.402 -7.845 7.746 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -1.001 -9.382 9.492 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -2.486 -8.804 8.764 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -2.669 -11.202 9.088 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -2.593 -10.877 7.368 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -0.160 -11.402 7.374 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -0.231 -11.721 9.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -0.348 -13.757 7.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -1.800 -13.519 8.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -1.730 -13.210 7.001 1.00 0.00 H new ATOM 2049 N ASP B 87 -2.349 -6.331 6.449 1.00 0.00 N ATOM 2050 CA ASP B 87 -3.311 -5.260 6.680 1.00 0.00 C ATOM 2051 C ASP B 87 -4.229 -5.094 5.481 1.00 0.00 C ATOM 2052 O ASP B 87 -5.396 -4.738 5.631 1.00 0.00 O ATOM 2053 CB ASP B 87 -2.600 -3.942 6.983 1.00 0.00 C ATOM 2054 CG ASP B 87 -2.857 -3.461 8.398 1.00 0.00 C ATOM 2055 OD1 ASP B 87 -3.827 -2.709 8.613 1.00 0.00 O ATOM 2056 OD2 ASP B 87 -2.088 -3.839 9.310 1.00 0.00 O ATOM 0 H ASP B 87 -1.385 -6.016 6.343 1.00 0.00 H new ATOM 0 HA ASP B 87 -3.913 -5.534 7.546 1.00 0.00 H new ATOM 0 HB2 ASP B 87 -1.528 -4.068 6.834 1.00 0.00 H new ATOM 0 HB3 ASP B 87 -2.933 -3.181 6.277 1.00 0.00 H new ATOM 2061 N LEU B 88 -3.697 -5.360 4.292 1.00 0.00 N ATOM 2062 CA LEU B 88 -4.497 -5.329 3.074 1.00 0.00 C ATOM 2063 C LEU B 88 -5.541 -6.439 3.094 1.00 0.00 C ATOM 2064 O LEU B 88 -6.672 -6.246 2.655 1.00 0.00 O ATOM 2065 CB LEU B 88 -3.612 -5.482 1.835 1.00 0.00 C ATOM 2066 CG LEU B 88 -2.628 -4.341 1.573 1.00 0.00 C ATOM 2067 CD1 LEU B 88 -1.787 -4.649 0.346 1.00 0.00 C ATOM 2068 CD2 LEU B 88 -3.366 -3.021 1.397 1.00 0.00 C ATOM 0 H LEU B 88 -2.716 -5.599 4.147 1.00 0.00 H new ATOM 0 HA LEU B 88 -5.000 -4.363 3.030 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -3.047 -6.409 1.928 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -4.257 -5.588 0.962 1.00 0.00 H new ATOM 0 HG LEU B 88 -1.969 -4.247 2.436 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -1.090 -3.830 0.168 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.230 -5.571 0.509 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -2.437 -4.766 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -2.646 -2.224 1.212 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -4.050 -3.096 0.551 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -3.931 -2.797 2.302 1.00 0.00 H new ATOM 2080 N ALA B 89 -5.152 -7.602 3.607 1.00 0.00 N ATOM 2081 CA ALA B 89 -6.070 -8.727 3.730 1.00 0.00 C ATOM 2082 C ALA B 89 -7.222 -8.371 4.657 1.00 0.00 C ATOM 2083 O ALA B 89 -8.390 -8.589 4.330 1.00 0.00 O ATOM 2084 CB ALA B 89 -5.338 -9.959 4.238 1.00 0.00 C ATOM 0 H ALA B 89 -4.208 -7.789 3.944 1.00 0.00 H new ATOM 0 HA ALA B 89 -6.476 -8.952 2.744 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -6.039 -10.789 4.324 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -4.545 -10.225 3.539 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -4.905 -9.748 5.216 1.00 0.00 H new ATOM 2090 N ALA B 90 -6.882 -7.805 5.810 1.00 0.00 N ATOM 2091 CA ALA B 90 -7.882 -7.349 6.762 1.00 0.00 C ATOM 2092 C ALA B 90 -8.760 -6.279 6.129 1.00 0.00 C ATOM 2093 O ALA B 90 -9.984 -6.353 6.192 1.00 0.00 O ATOM 2094 CB ALA B 90 -7.213 -6.813 8.018 1.00 0.00 C ATOM 0 H ALA B 90 -5.918 -7.652 6.106 1.00 0.00 H new ATOM 0 HA ALA B 90 -8.510 -8.195 7.041 1.00 0.00 H new ATOM 0 HB1 ALA B 90 -7.975 -6.476 8.720 1.00 0.00 H new ATOM 0 HB2 ALA B 90 -6.619 -7.602 8.479 1.00 0.00 H new ATOM 0 HB3 ALA B 90 -6.565 -5.976 7.756 1.00 0.00 H new ATOM 2100 N MET B 91 -8.109 -5.307 5.498 1.00 0.00 N ATOM 2101 CA MET B 91 -8.787 -4.213 4.809 1.00 0.00 C ATOM 2102 C MET B 91 -9.827 -4.748 3.831 1.00 0.00 C ATOM 2103 O MET B 91 -10.980 -4.315 3.833 1.00 0.00 O ATOM 2104 CB MET B 91 -7.754 -3.373 4.054 1.00 0.00 C ATOM 2105 CG MET B 91 -8.332 -2.168 3.336 1.00 0.00 C ATOM 2106 SD MET B 91 -7.116 -1.332 2.298 1.00 0.00 S ATOM 2107 CE MET B 91 -5.816 -1.001 3.487 1.00 0.00 C ATOM 0 H MET B 91 -7.091 -5.255 5.450 1.00 0.00 H new ATOM 0 HA MET B 91 -9.298 -3.597 5.549 1.00 0.00 H new ATOM 0 HB2 MET B 91 -6.996 -3.032 4.759 1.00 0.00 H new ATOM 0 HB3 MET B 91 -7.250 -4.008 3.325 1.00 0.00 H new ATOM 0 HG2 MET B 91 -9.173 -2.485 2.720 1.00 0.00 H new ATOM 0 HG3 MET B 91 -8.723 -1.464 4.071 1.00 0.00 H new ATOM 0 HE1 MET B 91 -5.114 -0.280 3.068 1.00 0.00 H new ATOM 0 HE2 MET B 91 -6.252 -0.594 4.399 1.00 0.00 H new ATOM 0 HE3 MET B 91 -5.290 -1.927 3.718 1.00 0.00 H new ATOM 2117 N LEU B 92 -9.406 -5.704 3.013 1.00 0.00 N ATOM 2118 CA LEU B 92 -10.267 -6.311 2.009 1.00 0.00 C ATOM 2119 C LEU B 92 -11.523 -6.905 2.636 1.00 0.00 C ATOM 2120 O LEU B 92 -12.635 -6.696 2.145 1.00 0.00 O ATOM 2121 CB LEU B 92 -9.499 -7.401 1.259 1.00 0.00 C ATOM 2122 CG LEU B 92 -10.310 -8.171 0.218 1.00 0.00 C ATOM 2123 CD1 LEU B 92 -10.917 -7.217 -0.797 1.00 0.00 C ATOM 2124 CD2 LEU B 92 -9.435 -9.203 -0.475 1.00 0.00 C ATOM 0 H LEU B 92 -8.458 -6.080 3.028 1.00 0.00 H new ATOM 0 HA LEU B 92 -10.574 -5.531 1.313 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -8.643 -6.944 0.763 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -9.105 -8.111 1.986 1.00 0.00 H new ATOM 0 HG LEU B 92 -11.122 -8.691 0.726 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -11.491 -7.783 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -11.574 -6.513 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -10.122 -6.670 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -10.026 -9.744 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -8.604 -8.701 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -9.046 -9.905 0.263 1.00 0.00 H new ATOM 2136 N ARG B 93 -11.347 -7.640 3.721 1.00 0.00 N ATOM 2137 CA ARG B 93 -12.468 -8.295 4.377 1.00 0.00 C ATOM 2138 C ARG B 93 -13.442 -7.267 4.941 1.00 0.00 C ATOM 2139 O ARG B 93 -14.653 -7.488 4.941 1.00 0.00 O ATOM 2140 CB ARG B 93 -11.974 -9.215 5.491 1.00 0.00 C ATOM 2141 CG ARG B 93 -10.980 -10.260 5.017 1.00 0.00 C ATOM 2142 CD ARG B 93 -10.499 -11.129 6.164 1.00 0.00 C ATOM 2143 NE ARG B 93 -10.011 -10.330 7.289 1.00 0.00 N ATOM 2144 CZ ARG B 93 -9.013 -10.695 8.093 1.00 0.00 C ATOM 2145 NH1 ARG B 93 -8.381 -11.849 7.907 1.00 0.00 N ATOM 2146 NH2 ARG B 93 -8.653 -9.905 9.095 1.00 0.00 N ATOM 0 H ARG B 93 -10.443 -7.798 4.166 1.00 0.00 H new ATOM 0 HA ARG B 93 -12.991 -8.895 3.632 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -11.510 -8.611 6.271 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -12.829 -9.717 5.943 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -11.444 -10.886 4.255 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -10.127 -9.767 4.550 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -11.314 -11.769 6.501 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -9.703 -11.785 5.813 1.00 0.00 H new ATOM 0 HE ARG B 93 -10.465 -9.435 7.470 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -8.659 -12.465 7.143 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -7.618 -12.119 8.528 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -9.139 -9.022 9.248 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -7.890 -10.181 9.713 1.00 0.00 H new ATOM 2160 N ILE B 94 -12.916 -6.137 5.401 1.00 0.00 N ATOM 2161 CA ILE B 94 -13.758 -5.084 5.950 1.00 0.00 C ATOM 2162 C ILE B 94 -14.524 -4.374 4.835 1.00 0.00 C ATOM 2163 O ILE B 94 -15.640 -3.905 5.048 1.00 0.00 O ATOM 2164 CB ILE B 94 -12.951 -4.051 6.759 1.00 0.00 C ATOM 2165 CG1 ILE B 94 -12.001 -4.754 7.730 1.00 0.00 C ATOM 2166 CG2 ILE B 94 -13.899 -3.138 7.525 1.00 0.00 C ATOM 2167 CD1 ILE B 94 -11.071 -3.811 8.460 1.00 0.00 C ATOM 0 H ILE B 94 -11.917 -5.929 5.404 1.00 0.00 H new ATOM 0 HA ILE B 94 -14.461 -5.566 6.630 1.00 0.00 H new ATOM 0 HB ILE B 94 -12.358 -3.452 6.068 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -12.588 -5.309 8.461 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -11.406 -5.483 7.179 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -13.322 -2.410 8.095 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -14.549 -2.616 6.822 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -14.506 -3.734 8.207 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -10.428 -4.381 9.130 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -10.457 -3.274 7.737 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -11.657 -3.098 9.039 1.00 0.00 H new ATOM 2179 N ILE B 95 -13.923 -4.298 3.646 1.00 0.00 N ATOM 2180 CA ILE B 95 -14.633 -3.801 2.469 1.00 0.00 C ATOM 2181 C ILE B 95 -15.897 -4.628 2.263 1.00 0.00 C ATOM 2182 O ILE B 95 -16.999 -4.095 2.121 1.00 0.00 O ATOM 2183 CB ILE B 95 -13.783 -3.895 1.180 1.00 0.00 C ATOM 2184 CG1 ILE B 95 -12.497 -3.087 1.309 1.00 0.00 C ATOM 2185 CG2 ILE B 95 -14.588 -3.390 -0.005 1.00 0.00 C ATOM 2186 CD1 ILE B 95 -12.734 -1.598 1.294 1.00 0.00 C ATOM 0 H ILE B 95 -12.955 -4.572 3.474 1.00 0.00 H new ATOM 0 HA ILE B 95 -14.862 -2.751 2.651 1.00 0.00 H new ATOM 0 HB ILE B 95 -13.516 -4.940 1.024 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -11.994 -3.360 2.237 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -11.825 -3.351 0.492 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -13.985 -3.458 -0.910 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -15.486 -3.997 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -14.872 -2.351 0.164 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -11.781 -1.077 1.389 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.210 -1.315 0.355 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -13.382 -1.324 2.127 1.00 0.00 H new ATOM 2198 N ASN B 96 -15.719 -5.946 2.280 1.00 0.00 N ATOM 2199 CA ASN B 96 -16.828 -6.885 2.124 1.00 0.00 C ATOM 2200 C ASN B 96 -17.757 -6.826 3.322 1.00 0.00 C ATOM 2201 O ASN B 96 -18.920 -7.202 3.236 1.00 0.00 O ATOM 2202 CB ASN B 96 -16.312 -8.314 1.951 1.00 0.00 C ATOM 2203 CG ASN B 96 -15.604 -8.525 0.625 1.00 0.00 C ATOM 2204 OD1 ASN B 96 -16.230 -8.882 -0.372 1.00 0.00 O ATOM 2205 ND2 ASN B 96 -14.298 -8.308 0.599 1.00 0.00 N ATOM 0 H ASN B 96 -14.810 -6.392 2.401 1.00 0.00 H new ATOM 0 HA ASN B 96 -17.380 -6.596 1.230 1.00 0.00 H new ATOM 0 HB2 ASN B 96 -15.627 -8.550 2.765 1.00 0.00 H new ATOM 0 HB3 ASN B 96 -17.148 -9.009 2.026 1.00 0.00 H new ATOM 0 HD21 ASN B 96 -13.777 -8.436 -0.268 1.00 0.00 H new ATOM 0 HD22 ASN B 96 -13.813 -8.013 1.446 1.00 0.00 H new ATOM 2212 N ALA B 97 -17.244 -6.340 4.440 1.00 0.00 N ATOM 2213 CA ALA B 97 -18.048 -6.198 5.639 1.00 0.00 C ATOM 2214 C ALA B 97 -18.860 -4.906 5.597 1.00 0.00 C ATOM 2215 O ALA B 97 -19.446 -4.494 6.600 1.00 0.00 O ATOM 2216 CB ALA B 97 -17.169 -6.235 6.881 1.00 0.00 C ATOM 0 H ALA B 97 -16.275 -6.038 4.541 1.00 0.00 H new ATOM 0 HA ALA B 97 -18.743 -7.037 5.683 1.00 0.00 H new ATOM 0 HB1 ALA B 97 -17.790 -6.127 7.770 1.00 0.00 H new ATOM 0 HB2 ALA B 97 -16.638 -7.186 6.923 1.00 0.00 H new ATOM 0 HB3 ALA B 97 -16.448 -5.418 6.841 1.00 0.00 H new ATOM 2222 N ARG B 98 -18.879 -4.263 4.434 1.00 0.00 N ATOM 2223 CA ARG B 98 -19.643 -3.038 4.234 1.00 0.00 C ATOM 2224 C ARG B 98 -20.587 -3.182 3.042 1.00 0.00 C ATOM 2225 O ARG B 98 -20.889 -2.205 2.355 1.00 0.00 O ATOM 2226 CB ARG B 98 -18.697 -1.852 4.005 1.00 0.00 C ATOM 2227 CG ARG B 98 -17.821 -1.501 5.202 1.00 0.00 C ATOM 2228 CD ARG B 98 -18.617 -0.847 6.325 1.00 0.00 C ATOM 2229 NE ARG B 98 -19.564 -1.767 6.958 1.00 0.00 N ATOM 2230 CZ ARG B 98 -20.592 -1.378 7.713 1.00 0.00 C ATOM 2231 NH1 ARG B 98 -20.824 -0.087 7.913 1.00 0.00 N ATOM 2232 NH2 ARG B 98 -21.391 -2.284 8.262 1.00 0.00 N ATOM 0 H ARG B 98 -18.368 -4.575 3.608 1.00 0.00 H new ATOM 0 HA ARG B 98 -20.235 -2.855 5.131 1.00 0.00 H new ATOM 0 HB2 ARG B 98 -18.054 -2.076 3.154 1.00 0.00 H new ATOM 0 HB3 ARG B 98 -19.290 -0.978 3.736 1.00 0.00 H new ATOM 0 HG2 ARG B 98 -17.342 -2.405 5.577 1.00 0.00 H new ATOM 0 HG3 ARG B 98 -17.025 -0.828 4.883 1.00 0.00 H new ATOM 0 HD2 ARG B 98 -17.928 -0.466 7.079 1.00 0.00 H new ATOM 0 HD3 ARG B 98 -19.160 0.010 5.928 1.00 0.00 H new ATOM 0 HE ARG B 98 -19.429 -2.767 6.812 1.00 0.00 H new ATOM 0 HH11 ARG B 98 -20.215 0.612 7.488 1.00 0.00 H new ATOM 0 HH12 ARG B 98 -21.612 0.206 8.491 1.00 0.00 H new ATOM 0 HH21 ARG B 98 -21.219 -3.277 8.106 1.00 0.00 H new ATOM 0 HH22 ARG B 98 -22.178 -1.987 8.840 1.00 0.00 H new