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 Single : A 46 MET CE :methyl -123:sc= -0.0172 (180deg=-1.14) USER MOD Single : A 57 THR OG1 : rot -47:sc= 1.24 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= -0.805 K(o=-0.8,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 153:sc= -0.0344 (180deg=-0.275) USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= 0.444 (180deg=0.437) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= -0.0283 (180deg=-0.248) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -149:sc= -0.0123 (180deg=-1.33!) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= -0.0497 (180deg=-0.309) USER MOD Single : A 91 MET CE :methyl -153:sc= -0.0485 (180deg=-0.391) USER MOD Single : A 96 ASN : amide:sc= -0.639 K(o=-0.64,f=0.28) USER MOD Single : B 46 MET CE :methyl -123:sc= -0.0157 (180deg=-1.08) USER MOD Single : B 57 THR OG1 : rot -44:sc= 1.32 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= -0.724 K(o=-0.72,f=0) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 74 LYS NZ :NH3+ 164:sc= -0.0343 (180deg=-0.287) USER MOD Single : B 75 LYS NZ :NH3+ -175:sc= 0.39 (180deg=0.351) USER MOD Single : B 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 LYS NZ :NH3+ -169:sc= -0.0156 (180deg=-0.193) USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 LYS NZ :NH3+ -147:sc= -0.0308 (180deg=-1.46!) USER MOD Single : B 86 LYS NZ :NH3+ -164:sc= -0.0293 (180deg=-0.32) USER MOD Single : B 91 MET CE :methyl -151:sc= -0.0226 (180deg=-0.373) USER MOD Single : B 96 ASN : amide:sc= -0.564 K(o=-0.56,f=0.31) USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 42 10.455 -9.816 -5.091 1.00 0.00 N ATOM 101 CA GLY A 42 9.781 -8.586 -5.444 1.00 0.00 C ATOM 102 C GLY A 42 10.751 -7.447 -5.686 1.00 0.00 C ATOM 103 O GLY A 42 11.657 -7.223 -4.879 1.00 0.00 O ATOM 0 HA2 GLY A 42 9.182 -8.747 -6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.092 -8.310 -4.646 1.00 0.00 H new ATOM 107 N PRO A 43 10.604 -6.726 -6.807 1.00 0.00 N ATOM 108 CA PRO A 43 11.434 -5.558 -7.111 1.00 0.00 C ATOM 109 C PRO A 43 11.160 -4.395 -6.160 1.00 0.00 C ATOM 110 O PRO A 43 10.194 -4.438 -5.396 1.00 0.00 O ATOM 111 CB PRO A 43 11.033 -5.192 -8.541 1.00 0.00 C ATOM 112 CG PRO A 43 9.668 -5.758 -8.712 1.00 0.00 C ATOM 113 CD PRO A 43 9.630 -7.005 -7.876 1.00 0.00 C ATOM 0 HA PRO A 43 12.497 -5.773 -7.001 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.034 -4.112 -8.688 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.729 -5.613 -9.267 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.907 -5.048 -8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.468 -5.984 -9.759 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.634 -7.190 -7.474 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.909 -7.886 -8.454 1.00 0.00 H new ATOM 121 N ILE A 44 11.992 -3.360 -6.216 1.00 0.00 N ATOM 122 CA ILE A 44 11.940 -2.271 -5.238 1.00 0.00 C ATOM 123 C ILE A 44 10.536 -1.673 -5.079 1.00 0.00 C ATOM 124 O ILE A 44 10.105 -1.394 -3.956 1.00 0.00 O ATOM 125 CB ILE A 44 12.954 -1.155 -5.571 1.00 0.00 C ATOM 126 CG1 ILE A 44 12.768 -0.654 -7.005 1.00 0.00 C ATOM 127 CG2 ILE A 44 14.377 -1.656 -5.358 1.00 0.00 C ATOM 128 CD1 ILE A 44 13.706 0.471 -7.381 1.00 0.00 C ATOM 0 H ILE A 44 12.713 -3.249 -6.929 1.00 0.00 H new ATOM 0 HA ILE A 44 12.213 -2.722 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 44 12.774 -0.317 -4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.918 -1.486 -7.694 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.740 -0.316 -7.132 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.082 -0.860 -5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 44 14.505 -1.956 -4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.563 -2.512 -6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 44 13.516 0.774 -8.411 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.541 1.319 -6.717 1.00 0.00 H new ATOM 0 HD13 ILE A 44 14.737 0.131 -7.287 1.00 0.00 H new ATOM 140 N ARG A 45 9.814 -1.499 -6.188 1.00 0.00 N ATOM 141 CA ARG A 45 8.457 -0.957 -6.129 1.00 0.00 C ATOM 142 C ARG A 45 7.551 -1.844 -5.278 1.00 0.00 C ATOM 143 O ARG A 45 6.814 -1.362 -4.416 1.00 0.00 O ATOM 144 CB ARG A 45 7.858 -0.791 -7.532 1.00 0.00 C ATOM 145 CG ARG A 45 7.791 -2.066 -8.364 1.00 0.00 C ATOM 146 CD ARG A 45 7.118 -1.810 -9.704 1.00 0.00 C ATOM 147 NE ARG A 45 6.925 -3.039 -10.476 1.00 0.00 N ATOM 148 CZ ARG A 45 5.814 -3.318 -11.167 1.00 0.00 C ATOM 149 NH1 ARG A 45 4.806 -2.452 -11.197 1.00 0.00 N ATOM 150 NH2 ARG A 45 5.717 -4.461 -11.836 1.00 0.00 N ATOM 0 H ARG A 45 10.142 -1.723 -7.127 1.00 0.00 H new ATOM 0 HA ARG A 45 8.522 0.027 -5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.850 -0.387 -7.434 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.446 -0.052 -8.076 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.798 -2.451 -8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.241 -2.832 -7.818 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.152 -1.334 -9.537 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.722 -1.112 -10.283 1.00 0.00 H new ATOM 0 HE ARG A 45 7.682 -3.723 -10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.877 -1.569 -10.691 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.962 -2.670 -11.726 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.490 -5.127 -11.823 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.870 -4.673 -12.363 1.00 0.00 H new ATOM 164 N MET A 46 7.625 -3.141 -5.525 1.00 0.00 N ATOM 165 CA MET A 46 6.845 -4.115 -4.776 1.00 0.00 C ATOM 166 C MET A 46 7.266 -4.151 -3.314 1.00 0.00 C ATOM 167 O MET A 46 6.442 -4.388 -2.443 1.00 0.00 O ATOM 168 CB MET A 46 6.970 -5.509 -5.395 1.00 0.00 C ATOM 169 CG MET A 46 6.134 -5.691 -6.650 1.00 0.00 C ATOM 170 SD MET A 46 6.347 -7.315 -7.404 1.00 0.00 S ATOM 171 CE MET A 46 5.422 -7.110 -8.924 1.00 0.00 C ATOM 0 H MET A 46 8.223 -3.548 -6.245 1.00 0.00 H new ATOM 0 HA MET A 46 5.801 -3.805 -4.825 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.016 -5.699 -5.634 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.671 -6.254 -4.657 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.082 -5.545 -6.404 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.402 -4.922 -7.374 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.645 -7.872 -8.982 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.963 -6.121 -8.940 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.094 -7.212 -9.776 1.00 0.00 H new ATOM 181 N VAL A 47 8.545 -3.905 -3.049 1.00 0.00 N ATOM 182 CA VAL A 47 9.049 -3.869 -1.678 1.00 0.00 C ATOM 183 C VAL A 47 8.300 -2.822 -0.860 1.00 0.00 C ATOM 184 O VAL A 47 7.825 -3.105 0.240 1.00 0.00 O ATOM 185 CB VAL A 47 10.562 -3.567 -1.633 1.00 0.00 C ATOM 186 CG1 VAL A 47 11.061 -3.499 -0.198 1.00 0.00 C ATOM 187 CG2 VAL A 47 11.336 -4.614 -2.414 1.00 0.00 C ATOM 0 H VAL A 47 9.251 -3.728 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 47 8.883 -4.857 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 47 10.727 -2.594 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.130 -3.285 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.531 -2.709 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.880 -4.454 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.401 -4.386 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.158 -5.598 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.005 -4.611 -3.453 1.00 0.00 H new ATOM 197 N LEU A 48 8.182 -1.620 -1.414 1.00 0.00 N ATOM 198 CA LEU A 48 7.458 -0.541 -0.749 1.00 0.00 C ATOM 199 C LEU A 48 5.982 -0.898 -0.587 1.00 0.00 C ATOM 200 O LEU A 48 5.362 -0.580 0.430 1.00 0.00 O ATOM 201 CB LEU A 48 7.603 0.768 -1.533 1.00 0.00 C ATOM 202 CG LEU A 48 9.031 1.312 -1.644 1.00 0.00 C ATOM 203 CD1 LEU A 48 9.045 2.617 -2.424 1.00 0.00 C ATOM 204 CD2 LEU A 48 9.638 1.514 -0.264 1.00 0.00 C ATOM 0 H LEU A 48 8.577 -1.368 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 48 7.891 -0.404 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.211 0.615 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.979 1.526 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 48 9.634 0.580 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.067 2.989 -2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.653 2.446 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.425 3.353 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.652 1.901 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.033 2.225 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.664 0.561 0.265 1.00 0.00 H new ATOM 216 N ALA A 49 5.431 -1.572 -1.589 1.00 0.00 N ATOM 217 CA ALA A 49 4.041 -2.011 -1.546 1.00 0.00 C ATOM 218 C ALA A 49 3.825 -3.057 -0.457 1.00 0.00 C ATOM 219 O ALA A 49 2.884 -2.961 0.333 1.00 0.00 O ATOM 220 CB ALA A 49 3.624 -2.566 -2.895 1.00 0.00 C ATOM 0 H ALA A 49 5.926 -1.827 -2.443 1.00 0.00 H new ATOM 0 HA ALA A 49 3.422 -1.145 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.584 -2.890 -2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.730 -1.792 -3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.258 -3.415 -3.151 1.00 0.00 H new ATOM 226 N ILE A 50 4.705 -4.053 -0.417 1.00 0.00 N ATOM 227 CA ILE A 50 4.626 -5.112 0.580 1.00 0.00 C ATOM 228 C ILE A 50 4.849 -4.542 1.978 1.00 0.00 C ATOM 229 O ILE A 50 4.287 -5.032 2.956 1.00 0.00 O ATOM 230 CB ILE A 50 5.653 -6.238 0.303 1.00 0.00 C ATOM 231 CG1 ILE A 50 5.420 -6.841 -1.086 1.00 0.00 C ATOM 232 CG2 ILE A 50 5.567 -7.323 1.369 1.00 0.00 C ATOM 233 CD1 ILE A 50 6.429 -7.904 -1.471 1.00 0.00 C ATOM 0 H ILE A 50 5.485 -4.148 -1.068 1.00 0.00 H new ATOM 0 HA ILE A 50 3.627 -5.544 0.519 1.00 0.00 H new ATOM 0 HB ILE A 50 6.652 -5.804 0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.420 -7.274 -1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.447 -6.042 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.297 -8.103 1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.776 -6.890 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.566 -7.754 1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.197 -8.282 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.430 -7.473 -1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.387 -8.723 -0.753 1.00 0.00 H new ATOM 245 N LEU A 51 5.661 -3.496 2.062 1.00 0.00 N ATOM 246 CA LEU A 51 5.902 -2.820 3.328 1.00 0.00 C ATOM 247 C LEU A 51 4.597 -2.256 3.880 1.00 0.00 C ATOM 248 O LEU A 51 4.204 -2.568 5.004 1.00 0.00 O ATOM 249 CB LEU A 51 6.913 -1.689 3.153 1.00 0.00 C ATOM 250 CG LEU A 51 7.381 -1.044 4.456 1.00 0.00 C ATOM 251 CD1 LEU A 51 8.461 -1.889 5.114 1.00 0.00 C ATOM 252 CD2 LEU A 51 7.873 0.367 4.205 1.00 0.00 C ATOM 0 H LEU A 51 6.163 -3.098 1.268 1.00 0.00 H new ATOM 0 HA LEU A 51 6.307 -3.549 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.783 -2.076 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.471 -0.919 2.521 1.00 0.00 H new ATOM 0 HG LEU A 51 6.533 -0.990 5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.781 -1.413 6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.064 -2.880 5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.313 -1.980 4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.202 0.810 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.707 0.342 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.064 0.965 3.786 1.00 0.00 H new ATOM 264 N ALA A 52 3.926 -1.433 3.074 1.00 0.00 N ATOM 265 CA ALA A 52 2.644 -0.851 3.461 1.00 0.00 C ATOM 266 C ALA A 52 1.639 -1.948 3.773 1.00 0.00 C ATOM 267 O ALA A 52 0.865 -1.849 4.726 1.00 0.00 O ATOM 268 CB ALA A 52 2.110 0.052 2.361 1.00 0.00 C ATOM 0 H ALA A 52 4.251 -1.155 2.148 1.00 0.00 H new ATOM 0 HA ALA A 52 2.798 -0.249 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.154 0.475 2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.820 0.857 2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.972 -0.528 1.449 1.00 0.00 H new ATOM 274 N PHE A 53 1.668 -2.994 2.960 1.00 0.00 N ATOM 275 CA PHE A 53 0.858 -4.178 3.192 1.00 0.00 C ATOM 276 C PHE A 53 1.111 -4.714 4.600 1.00 0.00 C ATOM 277 O PHE A 53 0.200 -4.800 5.411 1.00 0.00 O ATOM 278 CB PHE A 53 1.193 -5.237 2.134 1.00 0.00 C ATOM 279 CG PHE A 53 0.481 -6.552 2.302 1.00 0.00 C ATOM 280 CD1 PHE A 53 1.134 -7.638 2.859 1.00 0.00 C ATOM 281 CD2 PHE A 53 -0.831 -6.706 1.886 1.00 0.00 C ATOM 282 CE1 PHE A 53 0.493 -8.853 3.002 1.00 0.00 C ATOM 283 CE2 PHE A 53 -1.478 -7.919 2.028 1.00 0.00 C ATOM 284 CZ PHE A 53 -0.814 -8.994 2.586 1.00 0.00 C ATOM 0 H PHE A 53 2.251 -3.045 2.125 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.199 -3.924 3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.953 -4.834 1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.268 -5.418 2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.158 -7.534 3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.354 -5.870 1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.015 -9.692 3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.502 -8.026 1.703 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.318 -9.943 2.696 1.00 0.00 H new ATOM 294 N LEU A 54 2.364 -5.016 4.900 1.00 0.00 N ATOM 295 CA LEU A 54 2.742 -5.580 6.195 1.00 0.00 C ATOM 296 C LEU A 54 2.616 -4.557 7.328 1.00 0.00 C ATOM 297 O LEU A 54 2.822 -4.884 8.495 1.00 0.00 O ATOM 298 CB LEU A 54 4.172 -6.124 6.139 1.00 0.00 C ATOM 299 CG LEU A 54 4.398 -7.268 5.146 1.00 0.00 C ATOM 300 CD1 LEU A 54 5.868 -7.660 5.104 1.00 0.00 C ATOM 301 CD2 LEU A 54 3.538 -8.470 5.511 1.00 0.00 C ATOM 0 H LEU A 54 3.147 -4.880 4.260 1.00 0.00 H new ATOM 0 HA LEU A 54 2.050 -6.395 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.845 -5.305 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.452 -6.468 7.135 1.00 0.00 H new ATOM 0 HG LEU A 54 4.106 -6.922 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.007 -8.474 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.465 -6.802 4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.186 -7.985 6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.712 -9.273 4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.799 -8.814 6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.486 -8.185 5.488 1.00 0.00 H new ATOM 313 N ARG A 55 2.301 -3.318 6.985 1.00 0.00 N ATOM 314 CA ARG A 55 2.035 -2.298 7.990 1.00 0.00 C ATOM 315 C ARG A 55 0.565 -2.265 8.365 1.00 0.00 C ATOM 316 O ARG A 55 0.213 -2.226 9.544 1.00 0.00 O ATOM 317 CB ARG A 55 2.464 -0.921 7.491 1.00 0.00 C ATOM 318 CG ARG A 55 3.963 -0.727 7.491 1.00 0.00 C ATOM 319 CD ARG A 55 4.526 -0.865 8.895 1.00 0.00 C ATOM 320 NE ARG A 55 5.909 -0.409 8.992 1.00 0.00 N ATOM 321 CZ ARG A 55 6.695 -0.659 10.036 1.00 0.00 C ATOM 322 NH1 ARG A 55 6.245 -1.396 11.046 1.00 0.00 N ATOM 323 NH2 ARG A 55 7.930 -0.174 10.074 1.00 0.00 N ATOM 0 H ARG A 55 2.223 -2.994 6.021 1.00 0.00 H new ATOM 0 HA ARG A 55 2.616 -2.555 8.876 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.085 -0.774 6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.005 -0.156 8.117 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.429 -1.461 6.834 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.207 0.258 7.092 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.909 -0.293 9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.469 -1.909 9.205 1.00 0.00 H new ATOM 0 HE ARG A 55 6.294 0.131 8.217 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.297 -1.770 11.021 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.848 -1.587 11.846 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.279 0.393 9.301 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.530 -0.368 10.876 1.00 0.00 H new ATOM 337 N PHE A 56 -0.292 -2.284 7.361 1.00 0.00 N ATOM 338 CA PHE A 56 -1.722 -2.162 7.586 1.00 0.00 C ATOM 339 C PHE A 56 -2.392 -3.527 7.707 1.00 0.00 C ATOM 340 O PHE A 56 -3.535 -3.621 8.152 1.00 0.00 O ATOM 341 CB PHE A 56 -2.366 -1.348 6.462 1.00 0.00 C ATOM 342 CG PHE A 56 -2.022 0.116 6.502 1.00 0.00 C ATOM 343 CD1 PHE A 56 -0.843 0.583 5.943 1.00 0.00 C ATOM 344 CD2 PHE A 56 -2.881 1.024 7.100 1.00 0.00 C ATOM 345 CE1 PHE A 56 -0.527 1.928 5.982 1.00 0.00 C ATOM 346 CE2 PHE A 56 -2.571 2.370 7.140 1.00 0.00 C ATOM 347 CZ PHE A 56 -1.393 2.823 6.581 1.00 0.00 C ATOM 0 H PHE A 56 -0.024 -2.383 6.382 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.867 -1.640 8.532 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.053 -1.760 5.502 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.449 -1.459 6.519 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.164 -0.112 5.472 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.804 0.676 7.540 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.396 2.279 5.545 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.250 3.067 7.608 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.149 3.875 6.612 1.00 0.00 H new ATOM 357 N THR A 57 -1.690 -4.585 7.314 1.00 0.00 N ATOM 358 CA THR A 57 -2.262 -5.930 7.399 1.00 0.00 C ATOM 359 C THR A 57 -1.541 -6.778 8.440 1.00 0.00 C ATOM 360 O THR A 57 -2.028 -7.834 8.843 1.00 0.00 O ATOM 361 CB THR A 57 -2.230 -6.671 6.039 1.00 0.00 C ATOM 362 OG1 THR A 57 -0.899 -7.108 5.742 1.00 0.00 O ATOM 363 CG2 THR A 57 -2.721 -5.772 4.912 1.00 0.00 C ATOM 0 H THR A 57 -0.742 -4.543 6.940 1.00 0.00 H new ATOM 0 HA THR A 57 -3.302 -5.794 7.696 1.00 0.00 H new ATOM 0 HB THR A 57 -2.892 -7.533 6.117 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.271 -6.371 5.895 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.687 -6.319 3.970 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.746 -5.461 5.115 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.082 -4.892 4.844 1.00 0.00 H new ATOM 371 N ALA A 58 -0.398 -6.299 8.897 1.00 0.00 N ATOM 372 CA ALA A 58 0.444 -7.073 9.800 1.00 0.00 C ATOM 373 C ALA A 58 1.026 -6.188 10.891 1.00 0.00 C ATOM 374 O ALA A 58 1.013 -4.960 10.785 1.00 0.00 O ATOM 375 CB ALA A 58 1.556 -7.764 9.024 1.00 0.00 C ATOM 0 H ALA A 58 -0.029 -5.378 8.660 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.174 -7.834 10.276 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.177 -8.338 9.712 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.120 -8.434 8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.168 -7.015 8.521 1.00 0.00 H new ATOM 381 N ILE A 59 1.532 -6.819 11.942 1.00 0.00 N ATOM 382 CA ILE A 59 2.041 -6.097 13.099 1.00 0.00 C ATOM 383 C ILE A 59 3.524 -5.806 12.948 1.00 0.00 C ATOM 384 O ILE A 59 4.053 -4.833 13.490 1.00 0.00 O ATOM 385 CB ILE A 59 1.786 -6.891 14.401 1.00 0.00 C ATOM 386 CG1 ILE A 59 0.293 -7.204 14.545 1.00 0.00 C ATOM 387 CG2 ILE A 59 2.287 -6.119 15.612 1.00 0.00 C ATOM 388 CD1 ILE A 59 -0.034 -8.089 15.729 1.00 0.00 C ATOM 0 H ILE A 59 1.601 -7.834 12.017 1.00 0.00 H new ATOM 0 HA ILE A 59 1.506 -5.149 13.159 1.00 0.00 H new ATOM 0 HB ILE A 59 2.338 -7.829 14.346 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.257 -6.268 14.640 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.057 -7.689 13.633 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.097 -6.697 16.516 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.358 -5.942 15.513 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.766 -5.164 15.676 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.109 -8.266 15.765 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.488 -9.041 15.627 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.284 -7.598 16.649 1.00 0.00 H new ATOM 400 N LYS A 60 4.169 -6.638 12.177 1.00 0.00 N ATOM 401 CA LYS A 60 5.602 -6.531 11.941 1.00 0.00 C ATOM 402 C LYS A 60 5.954 -6.956 10.518 1.00 0.00 C ATOM 403 O LYS A 60 5.651 -8.077 10.112 1.00 0.00 O ATOM 404 CB LYS A 60 6.364 -7.408 12.936 1.00 0.00 C ATOM 405 CG LYS A 60 7.874 -7.348 12.765 1.00 0.00 C ATOM 406 CD LYS A 60 8.577 -8.347 13.667 1.00 0.00 C ATOM 407 CE LYS A 60 10.088 -8.272 13.510 1.00 0.00 C ATOM 408 NZ LYS A 60 10.784 -9.266 14.368 1.00 0.00 N ATOM 0 H LYS A 60 3.724 -7.415 11.689 1.00 0.00 H new ATOM 0 HA LYS A 60 5.890 -5.488 12.076 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.109 -7.100 13.950 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.034 -8.441 12.824 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.132 -7.551 11.725 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.227 -6.342 12.990 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.308 -8.154 14.705 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.235 -9.355 13.432 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.354 -8.444 12.467 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.430 -7.269 13.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.812 -9.183 14.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.551 -9.087 15.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.477 -10.225 14.108 1.00 0.00 H new ATOM 422 N PRO A 61 6.575 -6.062 9.733 1.00 0.00 N ATOM 423 CA PRO A 61 7.095 -6.406 8.409 1.00 0.00 C ATOM 424 C PRO A 61 8.306 -7.329 8.510 1.00 0.00 C ATOM 425 O PRO A 61 9.165 -7.151 9.379 1.00 0.00 O ATOM 426 CB PRO A 61 7.507 -5.055 7.806 1.00 0.00 C ATOM 427 CG PRO A 61 6.901 -4.020 8.693 1.00 0.00 C ATOM 428 CD PRO A 61 6.801 -4.648 10.052 1.00 0.00 C ATOM 0 HA PRO A 61 6.359 -6.937 7.806 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.592 -4.955 7.771 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.145 -4.955 6.783 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.518 -3.122 8.723 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.919 -3.720 8.328 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.712 -4.504 10.634 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.981 -4.227 10.634 1.00 0.00 H new ATOM 436 N SER A 62 8.366 -8.314 7.626 1.00 0.00 N ATOM 437 CA SER A 62 9.454 -9.279 7.621 1.00 0.00 C ATOM 438 C SER A 62 10.778 -8.592 7.294 1.00 0.00 C ATOM 439 O SER A 62 10.834 -7.669 6.473 1.00 0.00 O ATOM 440 CB SER A 62 9.158 -10.395 6.613 1.00 0.00 C ATOM 441 OG SER A 62 10.142 -11.414 6.663 1.00 0.00 O ATOM 0 H SER A 62 7.668 -8.466 6.898 1.00 0.00 H new ATOM 0 HA SER A 62 9.539 -9.720 8.614 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.178 -10.824 6.821 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.116 -9.977 5.607 1.00 0.00 H new ATOM 0 HG SER A 62 9.924 -12.112 6.010 1.00 0.00 H new ATOM 447 N LEU A 63 11.839 -9.059 7.943 1.00 0.00 N ATOM 448 CA LEU A 63 13.148 -8.419 7.868 1.00 0.00 C ATOM 449 C LEU A 63 13.751 -8.520 6.471 1.00 0.00 C ATOM 450 O LEU A 63 14.693 -7.798 6.150 1.00 0.00 O ATOM 451 CB LEU A 63 14.098 -9.033 8.898 1.00 0.00 C ATOM 452 CG LEU A 63 13.644 -8.914 10.356 1.00 0.00 C ATOM 453 CD1 LEU A 63 14.659 -9.560 11.283 1.00 0.00 C ATOM 454 CD2 LEU A 63 13.429 -7.456 10.737 1.00 0.00 C ATOM 0 H LEU A 63 11.817 -9.890 8.535 1.00 0.00 H new ATOM 0 HA LEU A 63 13.009 -7.361 8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.232 -10.088 8.661 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.074 -8.557 8.798 1.00 0.00 H new ATOM 0 HG LEU A 63 12.694 -9.439 10.461 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.321 -9.466 12.315 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.763 -10.615 11.030 1.00 0.00 H new ATOM 0 HD13 LEU A 63 15.623 -9.063 11.171 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.107 -7.395 11.777 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.362 -6.906 10.614 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.664 -7.021 10.094 1.00 0.00 H new ATOM 466 N GLY A 64 13.214 -9.416 5.651 1.00 0.00 N ATOM 467 CA GLY A 64 13.645 -9.503 4.268 1.00 0.00 C ATOM 468 C GLY A 64 13.267 -8.259 3.491 1.00 0.00 C ATOM 469 O GLY A 64 14.072 -7.716 2.725 1.00 0.00 O ATOM 0 H GLY A 64 12.489 -10.082 5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.725 -9.643 4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.194 -10.378 3.799 1.00 0.00 H new ATOM 473 N LEU A 65 12.040 -7.796 3.705 1.00 0.00 N ATOM 474 CA LEU A 65 11.566 -6.571 3.081 1.00 0.00 C ATOM 475 C LEU A 65 12.295 -5.379 3.677 1.00 0.00 C ATOM 476 O LEU A 65 12.649 -4.446 2.969 1.00 0.00 O ATOM 477 CB LEU A 65 10.050 -6.401 3.265 1.00 0.00 C ATOM 478 CG LEU A 65 9.157 -7.377 2.484 1.00 0.00 C ATOM 479 CD1 LEU A 65 9.540 -7.404 1.011 1.00 0.00 C ATOM 480 CD2 LEU A 65 9.210 -8.775 3.082 1.00 0.00 C ATOM 0 H LEU A 65 11.356 -8.254 4.308 1.00 0.00 H new ATOM 0 HA LEU A 65 11.771 -6.631 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.821 -6.501 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.782 -5.385 2.975 1.00 0.00 H new ATOM 0 HG LEU A 65 8.130 -7.020 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.893 -8.102 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.424 -6.407 0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.578 -7.722 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.567 -9.441 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.235 -9.145 3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.865 -8.742 4.116 1.00 0.00 H new ATOM 492 N ILE A 66 12.530 -5.435 4.984 1.00 0.00 N ATOM 493 CA ILE A 66 13.264 -4.384 5.683 1.00 0.00 C ATOM 494 C ILE A 66 14.690 -4.269 5.145 1.00 0.00 C ATOM 495 O ILE A 66 15.228 -3.172 4.991 1.00 0.00 O ATOM 496 CB ILE A 66 13.305 -4.655 7.205 1.00 0.00 C ATOM 497 CG1 ILE A 66 11.884 -4.720 7.774 1.00 0.00 C ATOM 498 CG2 ILE A 66 14.122 -3.589 7.927 1.00 0.00 C ATOM 499 CD1 ILE A 66 11.098 -3.433 7.617 1.00 0.00 C ATOM 0 H ILE A 66 12.221 -6.200 5.583 1.00 0.00 H new ATOM 0 HA ILE A 66 12.740 -3.444 5.507 1.00 0.00 H new ATOM 0 HB ILE A 66 13.789 -5.618 7.366 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.342 -5.527 7.280 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.939 -4.974 8.833 1.00 0.00 H new ATOM 0 HG21 ILE A 66 14.135 -3.803 8.996 1.00 0.00 H new ATOM 0 HG22 ILE A 66 15.142 -3.591 7.544 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.673 -2.610 7.758 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.103 -3.560 8.044 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.615 -2.625 8.135 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.010 -3.187 6.559 1.00 0.00 H new ATOM 511 N ASN A 67 15.289 -5.411 4.841 1.00 0.00 N ATOM 512 CA ASN A 67 16.644 -5.450 4.304 1.00 0.00 C ATOM 513 C ASN A 67 16.695 -4.820 2.916 1.00 0.00 C ATOM 514 O ASN A 67 17.624 -4.082 2.593 1.00 0.00 O ATOM 515 CB ASN A 67 17.148 -6.893 4.233 1.00 0.00 C ATOM 516 CG ASN A 67 18.598 -6.994 3.791 1.00 0.00 C ATOM 517 OD1 ASN A 67 18.974 -7.925 3.079 1.00 0.00 O ATOM 518 ND2 ASN A 67 19.427 -6.060 4.233 1.00 0.00 N ATOM 0 H ASN A 67 14.857 -6.328 4.957 1.00 0.00 H new ATOM 0 HA ASN A 67 17.288 -4.878 4.972 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.039 -7.359 5.212 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.523 -7.457 3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 67 20.416 -6.097 3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 67 19.077 -5.304 4.821 1.00 0.00 H new ATOM 525 N ARG A 68 15.681 -5.093 2.107 1.00 0.00 N ATOM 526 CA ARG A 68 15.651 -4.596 0.735 1.00 0.00 C ATOM 527 C ARG A 68 15.049 -3.195 0.693 1.00 0.00 C ATOM 528 O ARG A 68 15.116 -2.503 -0.321 1.00 0.00 O ATOM 529 CB ARG A 68 14.854 -5.552 -0.153 1.00 0.00 C ATOM 530 CG ARG A 68 15.035 -5.307 -1.643 1.00 0.00 C ATOM 531 CD ARG A 68 14.346 -6.380 -2.468 1.00 0.00 C ATOM 532 NE ARG A 68 14.834 -7.717 -2.137 1.00 0.00 N ATOM 533 CZ ARG A 68 14.613 -8.796 -2.880 1.00 0.00 C ATOM 534 NH1 ARG A 68 13.871 -8.713 -3.976 1.00 0.00 N ATOM 535 NH2 ARG A 68 15.116 -9.966 -2.508 1.00 0.00 N ATOM 0 H ARG A 68 14.871 -5.653 2.373 1.00 0.00 H new ATOM 0 HA ARG A 68 16.672 -4.542 0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.150 -6.576 0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.796 -5.464 0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.631 -4.329 -1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 68 16.098 -5.287 -1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.270 -6.334 -2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.511 -6.185 -3.528 1.00 0.00 H new ATOM 0 HE ARG A 68 15.379 -7.829 -1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.467 -7.818 -4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.704 -9.544 -4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.670 -10.035 -1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.949 -10.797 -3.076 1.00 0.00 H new ATOM 549 N TRP A 69 14.486 -2.788 1.817 1.00 0.00 N ATOM 550 CA TRP A 69 13.857 -1.484 1.962 1.00 0.00 C ATOM 551 C TRP A 69 14.872 -0.369 1.728 1.00 0.00 C ATOM 552 O TRP A 69 14.638 0.543 0.940 1.00 0.00 O ATOM 553 CB TRP A 69 13.263 -1.389 3.364 1.00 0.00 C ATOM 554 CG TRP A 69 12.333 -0.239 3.580 1.00 0.00 C ATOM 555 CD1 TRP A 69 11.423 0.265 2.701 1.00 0.00 C ATOM 556 CD2 TRP A 69 12.199 0.526 4.777 1.00 0.00 C ATOM 557 NE1 TRP A 69 10.730 1.298 3.282 1.00 0.00 N ATOM 558 CE2 TRP A 69 11.188 1.475 4.560 1.00 0.00 C ATOM 559 CE3 TRP A 69 12.839 0.493 6.011 1.00 0.00 C ATOM 560 CZ2 TRP A 69 10.801 2.384 5.540 1.00 0.00 C ATOM 561 CZ3 TRP A 69 12.458 1.394 6.983 1.00 0.00 C ATOM 562 CH2 TRP A 69 11.444 2.327 6.744 1.00 0.00 C ATOM 0 H TRP A 69 14.451 -3.357 2.663 1.00 0.00 H new ATOM 0 HA TRP A 69 13.067 -1.369 1.219 1.00 0.00 H new ATOM 0 HB2 TRP A 69 12.728 -2.314 3.579 1.00 0.00 H new ATOM 0 HB3 TRP A 69 14.079 -1.317 4.084 1.00 0.00 H new ATOM 0 HD1 TRP A 69 11.269 -0.095 1.695 1.00 0.00 H new ATOM 0 HE1 TRP A 69 9.994 1.844 2.835 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.621 -0.226 6.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 10.021 3.108 5.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 12.951 1.379 7.944 1.00 0.00 H new ATOM 0 HH2 TRP A 69 11.164 3.016 7.527 1.00 0.00 H new ATOM 573 N GLY A 70 16.018 -0.471 2.394 1.00 0.00 N ATOM 574 CA GLY A 70 17.072 0.514 2.216 1.00 0.00 C ATOM 575 C GLY A 70 17.842 0.300 0.928 1.00 0.00 C ATOM 576 O GLY A 70 18.700 1.104 0.560 1.00 0.00 O ATOM 0 H GLY A 70 16.237 -1.218 3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.637 1.513 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 70 17.759 0.466 3.061 1.00 0.00 H new ATOM 580 N SER A 71 17.541 -0.797 0.246 1.00 0.00 N ATOM 581 CA SER A 71 18.149 -1.088 -1.040 1.00 0.00 C ATOM 582 C SER A 71 17.415 -0.317 -2.131 1.00 0.00 C ATOM 583 O SER A 71 17.956 -0.075 -3.213 1.00 0.00 O ATOM 584 CB SER A 71 18.110 -2.595 -1.319 1.00 0.00 C ATOM 585 OG SER A 71 18.786 -2.924 -2.523 1.00 0.00 O ATOM 0 H SER A 71 16.876 -1.501 0.566 1.00 0.00 H new ATOM 0 HA SER A 71 19.193 -0.776 -1.026 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.567 -3.131 -0.487 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.074 -2.927 -1.381 1.00 0.00 H new ATOM 0 HG SER A 71 18.743 -3.892 -2.668 1.00 0.00 H new ATOM 591 N VAL A 72 16.177 0.069 -1.834 1.00 0.00 N ATOM 592 CA VAL A 72 15.398 0.896 -2.738 1.00 0.00 C ATOM 593 C VAL A 72 16.061 2.257 -2.874 1.00 0.00 C ATOM 594 O VAL A 72 16.378 2.903 -1.874 1.00 0.00 O ATOM 595 CB VAL A 72 13.947 1.089 -2.238 1.00 0.00 C ATOM 596 CG1 VAL A 72 13.137 1.935 -3.214 1.00 0.00 C ATOM 597 CG2 VAL A 72 13.270 -0.255 -2.003 1.00 0.00 C ATOM 0 H VAL A 72 15.695 -0.181 -0.971 1.00 0.00 H new ATOM 0 HA VAL A 72 15.359 0.389 -3.702 1.00 0.00 H new ATOM 0 HB VAL A 72 13.991 1.620 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.121 2.054 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 72 13.602 2.915 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.108 1.442 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.251 -0.093 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 72 13.247 -0.819 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 72 13.827 -0.817 -1.253 1.00 0.00 H new ATOM 607 N GLY A 73 16.304 2.671 -4.106 1.00 0.00 N ATOM 608 CA GLY A 73 16.886 3.972 -4.339 1.00 0.00 C ATOM 609 C GLY A 73 15.970 5.072 -3.854 1.00 0.00 C ATOM 610 O GLY A 73 14.832 5.162 -4.298 1.00 0.00 O ATOM 0 H GLY A 73 16.109 2.129 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.846 4.042 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.082 4.101 -5.403 1.00 0.00 H new ATOM 614 N LYS A 74 16.461 5.896 -2.936 1.00 0.00 N ATOM 615 CA LYS A 74 15.653 6.951 -2.327 1.00 0.00 C ATOM 616 C LYS A 74 15.115 7.920 -3.381 1.00 0.00 C ATOM 617 O LYS A 74 14.068 8.533 -3.188 1.00 0.00 O ATOM 618 CB LYS A 74 16.466 7.694 -1.262 1.00 0.00 C ATOM 619 CG LYS A 74 17.727 8.351 -1.796 1.00 0.00 C ATOM 620 CD LYS A 74 18.833 8.348 -0.755 1.00 0.00 C ATOM 621 CE LYS A 74 19.385 6.947 -0.537 1.00 0.00 C ATOM 622 NZ LYS A 74 20.080 6.422 -1.743 1.00 0.00 N ATOM 0 H LYS A 74 17.421 5.855 -2.594 1.00 0.00 H new ATOM 0 HA LYS A 74 14.794 6.485 -1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.836 8.457 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.740 6.993 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.064 7.825 -2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.508 9.376 -2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.637 9.012 -1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.450 8.740 0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.079 6.959 0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 74 18.570 6.275 -0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.801 5.730 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.389 5.961 -2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 20.537 7.207 -2.250 1.00 0.00 H new ATOM 636 N LYS A 75 15.831 8.044 -4.494 1.00 0.00 N ATOM 637 CA LYS A 75 15.350 8.825 -5.628 1.00 0.00 C ATOM 638 C LYS A 75 14.089 8.183 -6.186 1.00 0.00 C ATOM 639 O LYS A 75 13.021 8.796 -6.230 1.00 0.00 O ATOM 640 CB LYS A 75 16.428 8.900 -6.712 1.00 0.00 C ATOM 641 CG LYS A 75 16.140 9.953 -7.764 1.00 0.00 C ATOM 642 CD LYS A 75 15.094 9.503 -8.769 1.00 0.00 C ATOM 643 CE LYS A 75 14.611 10.662 -9.618 1.00 0.00 C ATOM 644 NZ LYS A 75 13.891 11.692 -8.820 1.00 0.00 N ATOM 0 H LYS A 75 16.745 7.614 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 75 15.121 9.838 -5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 75 17.390 9.114 -6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.518 7.927 -7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.800 10.866 -7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 75 17.063 10.198 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.513 8.729 -9.412 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.249 9.058 -8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.464 11.123 -10.116 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.951 10.285 -10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.567 12.454 -9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.071 11.257 -8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.532 12.085 -8.102 1.00 0.00 H new ATOM 658 N GLU A 76 14.246 6.947 -6.627 1.00 0.00 N ATOM 659 CA GLU A 76 13.136 6.143 -7.128 1.00 0.00 C ATOM 660 C GLU A 76 12.005 6.077 -6.102 1.00 0.00 C ATOM 661 O GLU A 76 10.831 6.133 -6.460 1.00 0.00 O ATOM 662 CB GLU A 76 13.619 4.729 -7.457 1.00 0.00 C ATOM 663 CG GLU A 76 12.582 3.878 -8.168 1.00 0.00 C ATOM 664 CD GLU A 76 12.322 4.345 -9.583 1.00 0.00 C ATOM 665 OE1 GLU A 76 12.843 3.707 -10.524 1.00 0.00 O ATOM 666 OE2 GLU A 76 11.608 5.348 -9.767 1.00 0.00 O ATOM 0 H GLU A 76 15.147 6.469 -6.649 1.00 0.00 H new ATOM 0 HA GLU A 76 12.755 6.615 -8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.511 4.795 -8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.913 4.231 -6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.918 2.841 -8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.649 3.900 -7.604 1.00 0.00 H new ATOM 673 N ALA A 77 12.369 5.961 -4.826 1.00 0.00 N ATOM 674 CA ALA A 77 11.393 5.932 -3.750 1.00 0.00 C ATOM 675 C ALA A 77 10.513 7.172 -3.790 1.00 0.00 C ATOM 676 O ALA A 77 9.297 7.076 -3.658 1.00 0.00 O ATOM 677 CB ALA A 77 12.085 5.813 -2.400 1.00 0.00 C ATOM 0 H ALA A 77 13.338 5.886 -4.516 1.00 0.00 H new ATOM 0 HA ALA A 77 10.759 5.056 -3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.336 5.793 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.669 4.893 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.746 6.667 -2.253 1.00 0.00 H new ATOM 683 N MET A 78 11.131 8.333 -3.993 1.00 0.00 N ATOM 684 CA MET A 78 10.385 9.581 -4.115 1.00 0.00 C ATOM 685 C MET A 78 9.396 9.489 -5.264 1.00 0.00 C ATOM 686 O MET A 78 8.233 9.858 -5.120 1.00 0.00 O ATOM 687 CB MET A 78 11.321 10.772 -4.336 1.00 0.00 C ATOM 688 CG MET A 78 12.268 11.024 -3.179 1.00 0.00 C ATOM 689 SD MET A 78 13.246 12.523 -3.382 1.00 0.00 S ATOM 690 CE MET A 78 14.267 12.458 -1.911 1.00 0.00 C ATOM 0 H MET A 78 12.142 8.435 -4.076 1.00 0.00 H new ATOM 0 HA MET A 78 9.846 9.739 -3.181 1.00 0.00 H new ATOM 0 HB2 MET A 78 11.904 10.602 -5.241 1.00 0.00 H new ATOM 0 HB3 MET A 78 10.722 11.667 -4.506 1.00 0.00 H new ATOM 0 HG2 MET A 78 11.693 11.094 -2.255 1.00 0.00 H new ATOM 0 HG3 MET A 78 12.938 10.171 -3.073 1.00 0.00 H new ATOM 0 HE1 MET A 78 14.931 13.322 -1.890 1.00 0.00 H new ATOM 0 HE2 MET A 78 13.631 12.468 -1.026 1.00 0.00 H new ATOM 0 HE3 MET A 78 14.861 11.544 -1.921 1.00 0.00 H new ATOM 700 N GLU A 79 9.865 8.968 -6.392 1.00 0.00 N ATOM 701 CA GLU A 79 9.029 8.810 -7.576 1.00 0.00 C ATOM 702 C GLU A 79 7.825 7.922 -7.266 1.00 0.00 C ATOM 703 O GLU A 79 6.675 8.270 -7.558 1.00 0.00 O ATOM 704 CB GLU A 79 9.836 8.198 -8.711 1.00 0.00 C ATOM 705 CG GLU A 79 11.118 8.947 -8.997 1.00 0.00 C ATOM 706 CD GLU A 79 10.899 10.407 -9.326 1.00 0.00 C ATOM 707 OE1 GLU A 79 11.197 11.261 -8.469 1.00 0.00 O ATOM 708 OE2 GLU A 79 10.454 10.712 -10.453 1.00 0.00 O ATOM 0 H GLU A 79 10.825 8.646 -6.511 1.00 0.00 H new ATOM 0 HA GLU A 79 8.674 9.795 -7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.074 7.164 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.225 8.177 -9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.775 8.872 -8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.632 8.468 -9.830 1.00 0.00 H new ATOM 715 N ILE A 80 8.109 6.777 -6.655 1.00 0.00 N ATOM 716 CA ILE A 80 7.083 5.805 -6.301 1.00 0.00 C ATOM 717 C ILE A 80 6.098 6.388 -5.293 1.00 0.00 C ATOM 718 O ILE A 80 4.890 6.294 -5.479 1.00 0.00 O ATOM 719 CB ILE A 80 7.705 4.517 -5.716 1.00 0.00 C ATOM 720 CG1 ILE A 80 8.676 3.890 -6.720 1.00 0.00 C ATOM 721 CG2 ILE A 80 6.614 3.520 -5.340 1.00 0.00 C ATOM 722 CD1 ILE A 80 9.468 2.730 -6.155 1.00 0.00 C ATOM 0 H ILE A 80 9.054 6.498 -6.392 1.00 0.00 H new ATOM 0 HA ILE A 80 6.552 5.556 -7.220 1.00 0.00 H new ATOM 0 HB ILE A 80 8.258 4.780 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.115 3.547 -7.589 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.369 4.656 -7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.070 2.619 -4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.956 3.965 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.035 3.262 -6.227 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.134 2.336 -6.922 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.057 3.072 -5.304 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.784 1.946 -5.832 1.00 0.00 H new ATOM 734 N ILE A 81 6.623 7.003 -4.237 1.00 0.00 N ATOM 735 CA ILE A 81 5.789 7.563 -3.177 1.00 0.00 C ATOM 736 C ILE A 81 4.848 8.639 -3.721 1.00 0.00 C ATOM 737 O ILE A 81 3.691 8.726 -3.307 1.00 0.00 O ATOM 738 CB ILE A 81 6.650 8.143 -2.027 1.00 0.00 C ATOM 739 CG1 ILE A 81 7.441 7.028 -1.328 1.00 0.00 C ATOM 740 CG2 ILE A 81 5.790 8.894 -1.020 1.00 0.00 C ATOM 741 CD1 ILE A 81 6.581 5.912 -0.768 1.00 0.00 C ATOM 0 H ILE A 81 7.625 7.127 -4.092 1.00 0.00 H new ATOM 0 HA ILE A 81 5.187 6.746 -2.778 1.00 0.00 H new ATOM 0 HB ILE A 81 7.355 8.850 -2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.152 6.603 -2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.023 7.465 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.422 9.289 -0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.279 9.717 -1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.052 8.214 -0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.217 5.166 -0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.888 6.321 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.018 5.445 -1.577 1.00 0.00 H new ATOM 753 N LYS A 82 5.337 9.442 -4.661 1.00 0.00 N ATOM 754 CA LYS A 82 4.513 10.476 -5.279 1.00 0.00 C ATOM 755 C LYS A 82 3.336 9.855 -6.024 1.00 0.00 C ATOM 756 O LYS A 82 2.199 10.313 -5.900 1.00 0.00 O ATOM 757 CB LYS A 82 5.340 11.331 -6.239 1.00 0.00 C ATOM 758 CG LYS A 82 6.414 12.152 -5.546 1.00 0.00 C ATOM 759 CD LYS A 82 7.211 12.981 -6.536 1.00 0.00 C ATOM 760 CE LYS A 82 8.348 13.725 -5.853 1.00 0.00 C ATOM 761 NZ LYS A 82 7.860 14.599 -4.754 1.00 0.00 N ATOM 0 H LYS A 82 6.294 9.398 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 82 4.130 11.115 -4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.810 10.682 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.674 12.002 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.952 12.809 -4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.086 11.488 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.615 12.332 -7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.551 13.696 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.064 13.006 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.879 14.329 -6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.634 15.212 -4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.075 15.187 -5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.528 14.010 -3.963 1.00 0.00 H new ATOM 775 N LYS A 83 3.613 8.806 -6.791 1.00 0.00 N ATOM 776 CA LYS A 83 2.567 8.114 -7.537 1.00 0.00 C ATOM 777 C LYS A 83 1.679 7.307 -6.595 1.00 0.00 C ATOM 778 O LYS A 83 0.493 7.111 -6.858 1.00 0.00 O ATOM 779 CB LYS A 83 3.178 7.198 -8.601 1.00 0.00 C ATOM 780 CG LYS A 83 4.032 7.936 -9.620 1.00 0.00 C ATOM 781 CD LYS A 83 3.244 9.029 -10.326 1.00 0.00 C ATOM 782 CE LYS A 83 4.111 9.788 -11.315 1.00 0.00 C ATOM 783 NZ LYS A 83 3.379 10.920 -11.942 1.00 0.00 N ATOM 0 H LYS A 83 4.548 8.417 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 83 1.954 8.865 -8.036 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.787 6.440 -8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.376 6.674 -9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.897 8.374 -9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.413 7.229 -10.356 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.395 8.588 -10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.839 9.722 -9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.997 10.167 -10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.458 9.106 -12.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.006 11.412 -12.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.548 10.557 -12.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.070 11.585 -11.204 1.00 0.00 H new ATOM 797 N PHE A 84 2.266 6.850 -5.498 1.00 0.00 N ATOM 798 CA PHE A 84 1.536 6.106 -4.484 1.00 0.00 C ATOM 799 C PHE A 84 0.470 7.001 -3.857 1.00 0.00 C ATOM 800 O PHE A 84 -0.707 6.646 -3.816 1.00 0.00 O ATOM 801 CB PHE A 84 2.502 5.602 -3.406 1.00 0.00 C ATOM 802 CG PHE A 84 2.109 4.290 -2.784 1.00 0.00 C ATOM 803 CD1 PHE A 84 0.892 4.140 -2.139 1.00 0.00 C ATOM 804 CD2 PHE A 84 2.970 3.205 -2.839 1.00 0.00 C ATOM 805 CE1 PHE A 84 0.541 2.933 -1.564 1.00 0.00 C ATOM 806 CE2 PHE A 84 2.624 1.996 -2.266 1.00 0.00 C ATOM 807 CZ PHE A 84 1.409 1.860 -1.628 1.00 0.00 C ATOM 0 H PHE A 84 3.255 6.984 -5.287 1.00 0.00 H new ATOM 0 HA PHE A 84 1.052 5.247 -4.949 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.495 5.500 -3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.576 6.355 -2.621 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.210 4.976 -2.085 1.00 0.00 H new ATOM 0 HD2 PHE A 84 3.923 3.306 -3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.411 2.829 -1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 84 3.304 1.159 -2.318 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.136 0.916 -1.179 1.00 0.00 H new ATOM 817 N LYS A 85 0.891 8.177 -3.394 1.00 0.00 N ATOM 818 CA LYS A 85 -0.030 9.149 -2.812 1.00 0.00 C ATOM 819 C LYS A 85 -1.068 9.588 -3.839 1.00 0.00 C ATOM 820 O LYS A 85 -2.230 9.825 -3.504 1.00 0.00 O ATOM 821 CB LYS A 85 0.729 10.374 -2.299 1.00 0.00 C ATOM 822 CG LYS A 85 1.698 10.076 -1.167 1.00 0.00 C ATOM 823 CD LYS A 85 2.397 11.341 -0.700 1.00 0.00 C ATOM 824 CE LYS A 85 3.364 11.066 0.439 1.00 0.00 C ATOM 825 NZ LYS A 85 4.067 12.303 0.875 1.00 0.00 N ATOM 0 H LYS A 85 1.865 8.479 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.537 8.669 -1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.281 10.819 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.009 11.118 -1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.160 9.625 -0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.439 9.349 -1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.937 11.787 -1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.653 12.069 -0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.821 10.640 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.097 10.323 0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.016 12.059 1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.151 12.957 0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.526 12.759 1.637 1.00 0.00 H new ATOM 839 N LYS A 86 -0.631 9.690 -5.090 1.00 0.00 N ATOM 840 CA LYS A 86 -1.509 10.064 -6.190 1.00 0.00 C ATOM 841 C LYS A 86 -2.625 9.038 -6.361 1.00 0.00 C ATOM 842 O LYS A 86 -3.798 9.396 -6.489 1.00 0.00 O ATOM 843 CB LYS A 86 -0.699 10.188 -7.485 1.00 0.00 C ATOM 844 CG LYS A 86 -1.521 10.590 -8.701 1.00 0.00 C ATOM 845 CD LYS A 86 -2.117 11.981 -8.544 1.00 0.00 C ATOM 846 CE LYS A 86 -2.889 12.398 -9.786 1.00 0.00 C ATOM 847 NZ LYS A 86 -2.024 12.425 -10.995 1.00 0.00 N ATOM 0 H LYS A 86 0.335 9.517 -5.367 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.963 11.028 -5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.092 10.923 -7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.213 9.234 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.892 10.562 -9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.322 9.866 -8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.780 11.999 -7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.321 12.700 -8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.717 11.707 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.324 13.385 -9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.505 12.947 -11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.124 12.895 -10.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.836 11.452 -11.309 1.00 0.00 H new ATOM 861 N ASP A 87 -2.258 7.761 -6.344 1.00 0.00 N ATOM 862 CA ASP A 87 -3.232 6.693 -6.527 1.00 0.00 C ATOM 863 C ASP A 87 -4.134 6.587 -5.305 1.00 0.00 C ATOM 864 O ASP A 87 -5.321 6.310 -5.433 1.00 0.00 O ATOM 865 CB ASP A 87 -2.543 5.352 -6.793 1.00 0.00 C ATOM 866 CG ASP A 87 -3.466 4.361 -7.481 1.00 0.00 C ATOM 867 OD1 ASP A 87 -4.268 3.699 -6.794 1.00 0.00 O ATOM 868 OD2 ASP A 87 -3.401 4.250 -8.725 1.00 0.00 O ATOM 0 H ASP A 87 -1.299 7.442 -6.206 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.839 6.938 -7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.661 5.515 -7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.197 4.930 -5.850 1.00 0.00 H new ATOM 873 N LEU A 88 -3.568 6.831 -4.123 1.00 0.00 N ATOM 874 CA LEU A 88 -4.345 6.839 -2.883 1.00 0.00 C ATOM 875 C LEU A 88 -5.434 7.901 -2.942 1.00 0.00 C ATOM 876 O LEU A 88 -6.576 7.664 -2.545 1.00 0.00 O ATOM 877 CB LEU A 88 -3.446 7.114 -1.677 1.00 0.00 C ATOM 878 CG LEU A 88 -2.412 6.039 -1.354 1.00 0.00 C ATOM 879 CD1 LEU A 88 -1.566 6.475 -0.172 1.00 0.00 C ATOM 880 CD2 LEU A 88 -3.085 4.706 -1.062 1.00 0.00 C ATOM 0 H LEU A 88 -2.575 7.026 -3.998 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.800 5.855 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.922 8.055 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.080 7.255 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.768 5.907 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.830 5.703 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.053 7.405 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.206 6.630 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.326 3.957 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.754 4.815 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.658 4.389 -1.933 1.00 0.00 H new ATOM 892 N ALA A 89 -5.067 9.074 -3.443 1.00 0.00 N ATOM 893 CA ALA A 89 -6.010 10.169 -3.606 1.00 0.00 C ATOM 894 C ALA A 89 -7.099 9.784 -4.598 1.00 0.00 C ATOM 895 O ALA A 89 -8.263 10.161 -4.444 1.00 0.00 O ATOM 896 CB ALA A 89 -5.283 11.421 -4.070 1.00 0.00 C ATOM 0 H ALA A 89 -4.117 9.290 -3.744 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.479 10.377 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.999 12.234 -4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.534 11.702 -3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.794 11.225 -5.025 1.00 0.00 H new ATOM 902 N ALA A 90 -6.711 9.026 -5.615 1.00 0.00 N ATOM 903 CA ALA A 90 -7.654 8.520 -6.594 1.00 0.00 C ATOM 904 C ALA A 90 -8.558 7.466 -5.966 1.00 0.00 C ATOM 905 O ALA A 90 -9.759 7.452 -6.216 1.00 0.00 O ATOM 906 CB ALA A 90 -6.921 7.951 -7.798 1.00 0.00 C ATOM 0 H ALA A 90 -5.743 8.749 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.276 9.348 -6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.645 7.576 -8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.318 8.733 -8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.273 7.135 -7.477 1.00 0.00 H new ATOM 912 N MET A 91 -7.973 6.598 -5.138 1.00 0.00 N ATOM 913 CA MET A 91 -8.734 5.569 -4.431 1.00 0.00 C ATOM 914 C MET A 91 -9.884 6.203 -3.673 1.00 0.00 C ATOM 915 O MET A 91 -11.043 5.858 -3.886 1.00 0.00 O ATOM 916 CB MET A 91 -7.854 4.803 -3.435 1.00 0.00 C ATOM 917 CG MET A 91 -6.736 3.993 -4.065 1.00 0.00 C ATOM 918 SD MET A 91 -5.723 3.160 -2.828 1.00 0.00 S ATOM 919 CE MET A 91 -4.466 2.412 -3.861 1.00 0.00 C ATOM 0 H MET A 91 -6.972 6.588 -4.941 1.00 0.00 H new ATOM 0 HA MET A 91 -9.111 4.870 -5.178 1.00 0.00 H new ATOM 0 HB2 MET A 91 -7.417 5.515 -2.735 1.00 0.00 H new ATOM 0 HB3 MET A 91 -8.487 4.132 -2.854 1.00 0.00 H new ATOM 0 HG2 MET A 91 -7.162 3.253 -4.742 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.107 4.650 -4.666 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.075 1.521 -3.370 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.901 2.136 -4.822 1.00 0.00 H new ATOM 0 HE3 MET A 91 -3.656 3.123 -4.021 1.00 0.00 H new ATOM 929 N LEU A 92 -9.541 7.149 -2.807 1.00 0.00 N ATOM 930 CA LEU A 92 -10.517 7.872 -2.003 1.00 0.00 C ATOM 931 C LEU A 92 -11.607 8.486 -2.876 1.00 0.00 C ATOM 932 O LEU A 92 -12.797 8.344 -2.596 1.00 0.00 O ATOM 933 CB LEU A 92 -9.808 8.968 -1.210 1.00 0.00 C ATOM 934 CG LEU A 92 -10.730 9.948 -0.491 1.00 0.00 C ATOM 935 CD1 LEU A 92 -11.576 9.222 0.543 1.00 0.00 C ATOM 936 CD2 LEU A 92 -9.914 11.058 0.152 1.00 0.00 C ATOM 0 H LEU A 92 -8.576 7.436 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.991 7.168 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.157 8.498 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.166 9.529 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.404 10.398 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.228 9.936 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.182 8.463 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.925 8.746 1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.582 11.752 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.218 10.628 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -9.356 11.592 -0.617 1.00 0.00 H new ATOM 948 N ARG A 93 -11.184 9.158 -3.935 1.00 0.00 N ATOM 949 CA ARG A 93 -12.091 9.800 -4.863 1.00 0.00 C ATOM 950 C ARG A 93 -13.075 8.790 -5.451 1.00 0.00 C ATOM 951 O ARG A 93 -14.260 9.086 -5.637 1.00 0.00 O ATOM 952 CB ARG A 93 -11.268 10.455 -5.965 1.00 0.00 C ATOM 953 CG ARG A 93 -12.069 11.338 -6.887 1.00 0.00 C ATOM 954 CD ARG A 93 -11.168 11.986 -7.921 1.00 0.00 C ATOM 955 NE ARG A 93 -11.905 12.849 -8.839 1.00 0.00 N ATOM 956 CZ ARG A 93 -11.664 12.923 -10.148 1.00 0.00 C ATOM 957 NH1 ARG A 93 -10.741 12.148 -10.707 1.00 0.00 N ATOM 958 NH2 ARG A 93 -12.354 13.767 -10.901 1.00 0.00 N ATOM 0 H ARG A 93 -10.199 9.272 -4.173 1.00 0.00 H new ATOM 0 HA ARG A 93 -12.677 10.556 -4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -10.476 11.048 -5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.784 9.676 -6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -12.839 10.749 -7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -12.581 12.108 -6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.400 12.571 -7.414 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.655 11.210 -8.489 1.00 0.00 H new ATOM 0 HE ARG A 93 -12.650 13.431 -8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.212 11.491 -10.134 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.562 12.210 -11.709 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.069 14.360 -10.479 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.170 13.824 -11.903 1.00 0.00 H new ATOM 972 N ILE A 94 -12.580 7.592 -5.729 1.00 0.00 N ATOM 973 CA ILE A 94 -13.410 6.535 -6.275 1.00 0.00 C ATOM 974 C ILE A 94 -14.291 5.913 -5.191 1.00 0.00 C ATOM 975 O ILE A 94 -15.405 5.487 -5.476 1.00 0.00 O ATOM 976 CB ILE A 94 -12.563 5.443 -6.958 1.00 0.00 C ATOM 977 CG1 ILE A 94 -11.703 6.061 -8.063 1.00 0.00 C ATOM 978 CG2 ILE A 94 -13.462 4.360 -7.535 1.00 0.00 C ATOM 979 CD1 ILE A 94 -10.690 5.105 -8.652 1.00 0.00 C ATOM 0 H ILE A 94 -11.605 7.330 -5.584 1.00 0.00 H new ATOM 0 HA ILE A 94 -14.051 6.989 -7.030 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.908 4.990 -6.213 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.354 6.422 -8.859 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.180 6.929 -7.661 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -12.850 3.596 -8.014 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.046 3.907 -6.734 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -14.135 4.800 -8.271 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.118 5.614 -9.428 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.014 4.763 -7.868 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.207 4.248 -9.085 1.00 0.00 H new ATOM 991 N ILE A 95 -13.803 5.872 -3.948 1.00 0.00 N ATOM 992 CA ILE A 95 -14.610 5.372 -2.833 1.00 0.00 C ATOM 993 C ILE A 95 -15.880 6.204 -2.701 1.00 0.00 C ATOM 994 O ILE A 95 -16.949 5.689 -2.385 1.00 0.00 O ATOM 995 CB ILE A 95 -13.855 5.396 -1.482 1.00 0.00 C ATOM 996 CG1 ILE A 95 -12.532 4.643 -1.587 1.00 0.00 C ATOM 997 CG2 ILE A 95 -14.716 4.757 -0.403 1.00 0.00 C ATOM 998 CD1 ILE A 95 -12.708 3.161 -1.799 1.00 0.00 C ATOM 0 H ILE A 95 -12.864 6.175 -3.691 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.847 4.333 -3.061 1.00 0.00 H new ATOM 0 HB ILE A 95 -13.646 6.434 -1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.951 5.055 -2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.954 4.807 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -14.182 4.775 0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -15.649 5.312 -0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -14.935 3.725 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.730 2.684 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -13.262 2.737 -0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.259 2.989 -2.724 1.00 0.00 H new ATOM 1010 N ASN A 96 -15.751 7.501 -2.951 1.00 0.00 N ATOM 1011 CA ASN A 96 -16.905 8.389 -2.957 1.00 0.00 C ATOM 1012 C ASN A 96 -17.776 8.121 -4.169 1.00 0.00 C ATOM 1013 O ASN A 96 -19.003 8.145 -4.073 1.00 0.00 O ATOM 1014 CB ASN A 96 -16.481 9.861 -2.953 1.00 0.00 C ATOM 1015 CG ASN A 96 -15.947 10.331 -1.613 1.00 0.00 C ATOM 1016 OD1 ASN A 96 -14.755 10.229 -1.330 1.00 0.00 O ATOM 1017 ND2 ASN A 96 -16.829 10.871 -0.785 1.00 0.00 N ATOM 0 H ASN A 96 -14.862 7.959 -3.151 1.00 0.00 H new ATOM 0 HA ASN A 96 -17.473 8.189 -2.048 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -15.716 10.013 -3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -17.335 10.478 -3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -16.527 11.220 0.125 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -17.810 10.937 -1.057 1.00 0.00 H new ATOM 1024 N ALA A 97 -17.142 7.872 -5.309 1.00 0.00 N ATOM 1025 CA ALA A 97 -17.871 7.542 -6.527 1.00 0.00 C ATOM 1026 C ALA A 97 -18.704 6.289 -6.321 1.00 0.00 C ATOM 1027 O ALA A 97 -19.833 6.182 -6.801 1.00 0.00 O ATOM 1028 CB ALA A 97 -16.915 7.327 -7.679 1.00 0.00 C ATOM 0 H ALA A 97 -16.128 7.892 -5.415 1.00 0.00 H new ATOM 0 HA ALA A 97 -18.530 8.378 -6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -17.479 7.082 -8.579 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -16.339 8.237 -7.848 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -16.237 6.507 -7.441 1.00 0.00 H new ATOM 1034 N ARG A 98 -18.134 5.348 -5.593 1.00 0.00 N ATOM 1035 CA ARG A 98 -18.813 4.109 -5.280 1.00 0.00 C ATOM 1036 C ARG A 98 -19.185 4.119 -3.810 1.00 0.00 C ATOM 1037 O ARG A 98 -18.878 3.195 -3.058 1.00 0.00 O ATOM 1038 CB ARG A 98 -17.942 2.896 -5.639 1.00 0.00 C ATOM 1039 CG ARG A 98 -16.623 2.817 -4.886 1.00 0.00 C ATOM 1040 CD ARG A 98 -15.716 1.750 -5.473 1.00 0.00 C ATOM 1041 NE ARG A 98 -16.344 0.428 -5.479 1.00 0.00 N ATOM 1042 CZ ARG A 98 -16.297 -0.416 -6.511 1.00 0.00 C ATOM 1043 NH1 ARG A 98 -15.699 -0.062 -7.645 1.00 0.00 N ATOM 1044 NH2 ARG A 98 -16.861 -1.610 -6.413 1.00 0.00 N ATOM 0 H ARG A 98 -17.194 5.421 -5.205 1.00 0.00 H new ATOM 0 HA ARG A 98 -19.721 4.025 -5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -18.511 1.987 -5.445 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -17.734 2.919 -6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -16.122 3.784 -4.923 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -16.814 2.597 -3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -15.446 2.026 -6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.790 1.707 -4.899 1.00 0.00 H new ATOM 0 HE ARG A 98 -16.849 0.134 -4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -15.272 0.860 -7.730 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -15.667 -0.713 -8.430 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.330 -1.883 -5.550 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -16.826 -2.257 -7.201 1.00 0.00 H new ATOM 1288 N GLY B 42 -10.261 -9.550 5.802 1.00 0.00 N ATOM 1289 CA GLY B 42 -9.576 -8.317 6.116 1.00 0.00 C ATOM 1290 C GLY B 42 -10.537 -7.163 6.320 1.00 0.00 C ATOM 1291 O GLY B 42 -11.436 -6.952 5.503 1.00 0.00 O ATOM 0 HA2 GLY B 42 -8.980 -8.454 7.018 1.00 0.00 H new ATOM 0 HA3 GLY B 42 -8.884 -8.073 5.310 1.00 0.00 H new ATOM 1295 N PRO B 43 -10.387 -6.409 7.420 1.00 0.00 N ATOM 1296 CA PRO B 43 -11.209 -5.226 7.686 1.00 0.00 C ATOM 1297 C PRO B 43 -10.923 -4.095 6.698 1.00 0.00 C ATOM 1298 O PRO B 43 -9.954 -4.170 5.939 1.00 0.00 O ATOM 1299 CB PRO B 43 -10.808 -4.818 9.105 1.00 0.00 C ATOM 1300 CG PRO B 43 -9.446 -5.387 9.296 1.00 0.00 C ATOM 1301 CD PRO B 43 -9.416 -6.660 8.499 1.00 0.00 C ATOM 0 HA PRO B 43 -12.273 -5.436 7.581 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -10.803 -3.734 9.218 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -11.508 -5.212 9.842 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -8.680 -4.692 8.951 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -9.248 -5.581 10.350 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -8.421 -6.864 8.105 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -9.701 -7.520 9.105 1.00 0.00 H new ATOM 1309 N ILE B 44 -11.747 -3.054 6.717 1.00 0.00 N ATOM 1310 CA ILE B 44 -11.685 -1.998 5.702 1.00 0.00 C ATOM 1311 C ILE B 44 -10.275 -1.417 5.523 1.00 0.00 C ATOM 1312 O ILE B 44 -9.841 -1.180 4.390 1.00 0.00 O ATOM 1313 CB ILE B 44 -12.688 -0.862 5.997 1.00 0.00 C ATOM 1314 CG1 ILE B 44 -12.502 -0.317 7.416 1.00 0.00 C ATOM 1315 CG2 ILE B 44 -14.116 -1.357 5.796 1.00 0.00 C ATOM 1316 CD1 ILE B 44 -13.431 0.829 7.753 1.00 0.00 C ATOM 0 H ILE B 44 -12.469 -2.914 7.424 1.00 0.00 H new ATOM 0 HA ILE B 44 -11.962 -2.480 4.764 1.00 0.00 H new ATOM 0 HB ILE B 44 -12.497 -0.047 5.299 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -12.662 -1.125 8.130 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -11.471 0.015 7.536 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -14.815 -0.547 6.007 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -14.245 -1.688 4.766 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -14.311 -2.190 6.472 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -13.242 1.163 8.773 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -13.256 1.654 7.063 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -14.465 0.496 7.666 1.00 0.00 H new ATOM 1328 N ARG B 45 -9.553 -1.213 6.626 1.00 0.00 N ATOM 1329 CA ARG B 45 -8.191 -0.684 6.552 1.00 0.00 C ATOM 1330 C ARG B 45 -7.292 -1.606 5.733 1.00 0.00 C ATOM 1331 O ARG B 45 -6.550 -1.160 4.856 1.00 0.00 O ATOM 1332 CB ARG B 45 -7.593 -0.477 7.950 1.00 0.00 C ATOM 1333 CG ARG B 45 -7.534 -1.724 8.820 1.00 0.00 C ATOM 1334 CD ARG B 45 -6.862 -1.429 10.152 1.00 0.00 C ATOM 1335 NE ARG B 45 -6.685 -2.632 10.965 1.00 0.00 N ATOM 1336 CZ ARG B 45 -5.583 -2.900 11.671 1.00 0.00 C ATOM 1337 NH1 ARG B 45 -4.566 -2.042 11.676 1.00 0.00 N ATOM 1338 NH2 ARG B 45 -5.500 -4.020 12.379 1.00 0.00 N ATOM 0 H ARG B 45 -9.884 -1.404 7.572 1.00 0.00 H new ATOM 0 HA ARG B 45 -8.247 0.285 6.056 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -6.583 -0.081 7.841 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -8.178 0.282 8.469 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -8.543 -2.099 8.993 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -6.987 -2.510 8.299 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -5.890 -0.969 9.972 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -7.460 -0.705 10.705 1.00 0.00 H new ATOM 0 HE ARG B 45 -7.449 -3.307 10.995 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -4.626 -1.176 11.140 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -3.726 -2.250 12.216 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -6.279 -4.679 12.385 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -4.657 -4.222 12.917 1.00 0.00 H new ATOM 1352 N MET B 46 -7.376 -2.893 6.024 1.00 0.00 N ATOM 1353 CA MET B 46 -6.601 -3.896 5.309 1.00 0.00 C ATOM 1354 C MET B 46 -7.021 -3.976 3.848 1.00 0.00 C ATOM 1355 O MET B 46 -6.197 -4.245 2.987 1.00 0.00 O ATOM 1356 CB MET B 46 -6.737 -5.268 5.972 1.00 0.00 C ATOM 1357 CG MET B 46 -5.902 -5.418 7.233 1.00 0.00 C ATOM 1358 SD MET B 46 -6.125 -7.018 8.035 1.00 0.00 S ATOM 1359 CE MET B 46 -5.208 -6.765 9.554 1.00 0.00 C ATOM 0 H MET B 46 -7.977 -3.271 6.756 1.00 0.00 H new ATOM 0 HA MET B 46 -5.555 -3.593 5.350 1.00 0.00 H new ATOM 0 HB2 MET B 46 -7.785 -5.442 6.217 1.00 0.00 H new ATOM 0 HB3 MET B 46 -6.444 -6.038 5.258 1.00 0.00 H new ATOM 0 HG2 MET B 46 -4.849 -5.286 6.984 1.00 0.00 H new ATOM 0 HG3 MET B 46 -6.166 -4.626 7.934 1.00 0.00 H new ATOM 0 HE1 MET B 46 -4.432 -7.526 9.642 1.00 0.00 H new ATOM 0 HE2 MET B 46 -4.747 -5.777 9.541 1.00 0.00 H new ATOM 0 HE3 MET B 46 -5.886 -6.838 10.405 1.00 0.00 H new ATOM 1369 N VAL B 47 -8.298 -3.728 3.574 1.00 0.00 N ATOM 1370 CA VAL B 47 -8.799 -3.733 2.201 1.00 0.00 C ATOM 1371 C VAL B 47 -8.039 -2.721 1.350 1.00 0.00 C ATOM 1372 O VAL B 47 -7.560 -3.046 0.264 1.00 0.00 O ATOM 1373 CB VAL B 47 -10.309 -3.419 2.140 1.00 0.00 C ATOM 1374 CG1 VAL B 47 -10.807 -3.394 0.701 1.00 0.00 C ATOM 1375 CG2 VAL B 47 -11.093 -4.434 2.952 1.00 0.00 C ATOM 0 H VAL B 47 -9.004 -3.522 4.281 1.00 0.00 H new ATOM 0 HA VAL B 47 -8.641 -4.737 1.807 1.00 0.00 H new ATOM 0 HB VAL B 47 -10.465 -2.429 2.569 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -11.874 -3.170 0.689 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -10.269 -2.627 0.143 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -10.635 -4.366 0.239 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -12.156 -4.199 2.899 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -10.921 -5.432 2.550 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -10.765 -4.400 3.991 1.00 0.00 H new ATOM 1385 N LEU B 48 -7.913 -1.503 1.864 1.00 0.00 N ATOM 1386 CA LEU B 48 -7.180 -0.452 1.165 1.00 0.00 C ATOM 1387 C LEU B 48 -5.707 -0.828 1.016 1.00 0.00 C ATOM 1388 O LEU B 48 -5.084 -0.552 -0.011 1.00 0.00 O ATOM 1389 CB LEU B 48 -7.314 0.883 1.906 1.00 0.00 C ATOM 1390 CG LEU B 48 -8.738 1.443 1.997 1.00 0.00 C ATOM 1391 CD1 LEU B 48 -8.744 2.773 2.733 1.00 0.00 C ATOM 1392 CD2 LEU B 48 -9.342 1.605 0.610 1.00 0.00 C ATOM 0 H LEU B 48 -8.308 -1.218 2.760 1.00 0.00 H new ATOM 0 HA LEU B 48 -7.611 -0.342 0.170 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -6.925 0.759 2.917 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -6.683 1.620 1.410 1.00 0.00 H new ATOM 0 HG LEU B 48 -9.346 0.733 2.558 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -9.764 3.154 2.787 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -8.355 2.633 3.742 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -8.118 3.487 2.199 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -10.353 2.004 0.698 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -8.730 2.292 0.025 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -9.376 0.636 0.113 1.00 0.00 H new ATOM 1404 N ALA B 49 -5.161 -1.471 2.043 1.00 0.00 N ATOM 1405 CA ALA B 49 -3.774 -1.922 2.018 1.00 0.00 C ATOM 1406 C ALA B 49 -3.564 -3.005 0.963 1.00 0.00 C ATOM 1407 O ALA B 49 -2.622 -2.942 0.172 1.00 0.00 O ATOM 1408 CB ALA B 49 -3.365 -2.436 3.387 1.00 0.00 C ATOM 0 H ALA B 49 -5.659 -1.692 2.905 1.00 0.00 H new ATOM 0 HA ALA B 49 -3.147 -1.070 1.756 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -2.328 -2.770 3.355 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -3.467 -1.637 4.121 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -4.006 -3.271 3.669 1.00 0.00 H new ATOM 1414 N ILE B 50 -4.453 -3.995 0.955 1.00 0.00 N ATOM 1415 CA ILE B 50 -4.382 -5.087 -0.007 1.00 0.00 C ATOM 1416 C ILE B 50 -4.600 -4.561 -1.422 1.00 0.00 C ATOM 1417 O ILE B 50 -4.044 -5.089 -2.383 1.00 0.00 O ATOM 1418 CB ILE B 50 -5.420 -6.194 0.305 1.00 0.00 C ATOM 1419 CG1 ILE B 50 -5.196 -6.754 1.713 1.00 0.00 C ATOM 1420 CG2 ILE B 50 -5.342 -7.313 -0.726 1.00 0.00 C ATOM 1421 CD1 ILE B 50 -6.214 -7.796 2.129 1.00 0.00 C ATOM 0 H ILE B 50 -5.234 -4.062 1.608 1.00 0.00 H new ATOM 0 HA ILE B 50 -3.387 -5.526 0.069 1.00 0.00 H new ATOM 0 HB ILE B 50 -6.415 -5.752 0.258 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -4.200 -7.193 1.764 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -5.219 -5.932 2.428 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -6.079 -8.079 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -5.546 -6.909 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -4.345 -7.752 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -5.988 -8.144 3.137 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -7.212 -7.357 2.112 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -6.176 -8.638 1.438 1.00 0.00 H new ATOM 1433 N LEU B 51 -5.403 -3.512 -1.542 1.00 0.00 N ATOM 1434 CA LEU B 51 -5.636 -2.876 -2.831 1.00 0.00 C ATOM 1435 C LEU B 51 -4.326 -2.340 -3.400 1.00 0.00 C ATOM 1436 O LEU B 51 -3.935 -2.689 -4.514 1.00 0.00 O ATOM 1437 CB LEU B 51 -6.638 -1.732 -2.696 1.00 0.00 C ATOM 1438 CG LEU B 51 -7.097 -1.125 -4.020 1.00 0.00 C ATOM 1439 CD1 LEU B 51 -8.184 -1.982 -4.651 1.00 0.00 C ATOM 1440 CD2 LEU B 51 -7.579 0.299 -3.816 1.00 0.00 C ATOM 0 H LEU B 51 -5.903 -3.084 -0.763 1.00 0.00 H new ATOM 0 HA LEU B 51 -6.045 -3.625 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -7.512 -2.095 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -6.191 -0.946 -2.087 1.00 0.00 H new ATOM 0 HG LEU B 51 -6.247 -1.099 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -8.499 -1.534 -5.594 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -7.796 -2.983 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -9.037 -2.043 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -7.902 0.714 -4.771 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -8.415 0.303 -3.117 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -6.767 0.904 -3.413 1.00 0.00 H new ATOM 1452 N ALA B 52 -3.649 -1.496 -2.620 1.00 0.00 N ATOM 1453 CA ALA B 52 -2.361 -0.938 -3.025 1.00 0.00 C ATOM 1454 C ALA B 52 -1.365 -2.052 -3.301 1.00 0.00 C ATOM 1455 O ALA B 52 -0.591 -1.992 -4.258 1.00 0.00 O ATOM 1456 CB ALA B 52 -1.821 -0.006 -1.953 1.00 0.00 C ATOM 0 H ALA B 52 -3.973 -1.185 -1.704 1.00 0.00 H new ATOM 0 HA ALA B 52 -2.509 -0.365 -3.940 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -0.861 0.399 -2.273 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -2.525 0.811 -1.793 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -1.689 -0.559 -1.023 1.00 0.00 H new ATOM 1462 N PHE B 53 -1.404 -3.071 -2.453 1.00 0.00 N ATOM 1463 CA PHE B 53 -0.606 -4.269 -2.644 1.00 0.00 C ATOM 1464 C PHE B 53 -0.862 -4.850 -4.032 1.00 0.00 C ATOM 1465 O PHE B 53 0.049 -4.976 -4.838 1.00 0.00 O ATOM 1466 CB PHE B 53 -0.951 -5.289 -1.551 1.00 0.00 C ATOM 1467 CG PHE B 53 -0.250 -6.614 -1.673 1.00 0.00 C ATOM 1468 CD1 PHE B 53 -0.912 -7.714 -2.192 1.00 0.00 C ATOM 1469 CD2 PHE B 53 1.061 -6.764 -1.249 1.00 0.00 C ATOM 1470 CE1 PHE B 53 -0.281 -8.937 -2.290 1.00 0.00 C ATOM 1471 CE2 PHE B 53 1.698 -7.986 -1.347 1.00 0.00 C ATOM 1472 CZ PHE B 53 1.026 -9.073 -1.867 1.00 0.00 C ATOM 0 H PHE B 53 -1.988 -3.088 -1.617 1.00 0.00 H new ATOM 0 HA PHE B 53 0.453 -4.021 -2.570 1.00 0.00 H new ATOM 0 HB2 PHE B 53 -0.709 -4.855 -0.581 1.00 0.00 H new ATOM 0 HB3 PHE B 53 -2.027 -5.462 -1.563 1.00 0.00 H new ATOM 0 HD1 PHE B 53 -1.935 -7.613 -2.524 1.00 0.00 H new ATOM 0 HD2 PHE B 53 1.590 -5.917 -0.838 1.00 0.00 H new ATOM 0 HE1 PHE B 53 -0.809 -9.787 -2.697 1.00 0.00 H new ATOM 0 HE2 PHE B 53 2.721 -8.090 -1.017 1.00 0.00 H new ATOM 0 HZ PHE B 53 1.522 -10.029 -1.943 1.00 0.00 H new ATOM 1482 N LEU B 54 -2.117 -5.148 -4.324 1.00 0.00 N ATOM 1483 CA LEU B 54 -2.496 -5.752 -5.600 1.00 0.00 C ATOM 1484 C LEU B 54 -2.359 -4.767 -6.766 1.00 0.00 C ATOM 1485 O LEU B 54 -2.568 -5.131 -7.921 1.00 0.00 O ATOM 1486 CB LEU B 54 -3.929 -6.281 -5.531 1.00 0.00 C ATOM 1487 CG LEU B 54 -4.165 -7.391 -4.501 1.00 0.00 C ATOM 1488 CD1 LEU B 54 -5.635 -7.770 -4.450 1.00 0.00 C ATOM 1489 CD2 LEU B 54 -3.314 -8.611 -4.821 1.00 0.00 C ATOM 0 H LEU B 54 -2.900 -4.981 -3.692 1.00 0.00 H new ATOM 0 HA LEU B 54 -1.810 -6.579 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -4.596 -5.449 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -4.209 -6.655 -6.516 1.00 0.00 H new ATOM 0 HG LEU B 54 -3.871 -7.014 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -5.782 -8.559 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -6.226 -6.898 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -5.953 -8.125 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -3.497 -9.387 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -3.575 -8.987 -5.810 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -2.260 -8.334 -4.805 1.00 0.00 H new ATOM 1501 N ARG B 55 -2.031 -3.521 -6.464 1.00 0.00 N ATOM 1502 CA ARG B 55 -1.756 -2.536 -7.502 1.00 0.00 C ATOM 1503 C ARG B 55 -0.284 -2.525 -7.876 1.00 0.00 C ATOM 1504 O ARG B 55 0.070 -2.518 -9.055 1.00 0.00 O ATOM 1505 CB ARG B 55 -2.176 -1.140 -7.049 1.00 0.00 C ATOM 1506 CG ARG B 55 -3.674 -0.933 -7.058 1.00 0.00 C ATOM 1507 CD ARG B 55 -4.236 -1.111 -8.457 1.00 0.00 C ATOM 1508 NE ARG B 55 -5.617 -0.657 -8.570 1.00 0.00 N ATOM 1509 CZ ARG B 55 -6.401 -0.936 -9.608 1.00 0.00 C ATOM 1510 NH1 ARG B 55 -5.953 -1.712 -10.591 1.00 0.00 N ATOM 1511 NH2 ARG B 55 -7.631 -0.442 -9.664 1.00 0.00 N ATOM 0 H ARG B 55 -1.948 -3.167 -5.511 1.00 0.00 H new ATOM 0 HA ARG B 55 -2.337 -2.819 -8.380 1.00 0.00 H new ATOM 0 HB2 ARG B 55 -1.798 -0.963 -6.042 1.00 0.00 H new ATOM 0 HB3 ARG B 55 -1.710 -0.399 -7.699 1.00 0.00 H new ATOM 0 HG2 ARG B 55 -4.147 -1.642 -6.379 1.00 0.00 H new ATOM 0 HG3 ARG B 55 -3.910 0.066 -6.691 1.00 0.00 H new ATOM 0 HD2 ARG B 55 -3.617 -0.560 -9.166 1.00 0.00 H new ATOM 0 HD3 ARG B 55 -4.180 -2.163 -8.736 1.00 0.00 H new ATOM 0 HE ARG B 55 -6.003 -0.095 -7.812 1.00 0.00 H new ATOM 0 HH11 ARG B 55 -5.008 -2.094 -10.549 1.00 0.00 H new ATOM 0 HH12 ARG B 55 -6.555 -1.926 -11.387 1.00 0.00 H new ATOM 0 HH21 ARG B 55 -7.977 0.153 -8.911 1.00 0.00 H new ATOM 0 HH22 ARG B 55 -8.231 -0.657 -10.460 1.00 0.00 H new ATOM 1525 N PHE B 56 0.570 -2.520 -6.870 1.00 0.00 N ATOM 1526 CA PHE B 56 2.000 -2.419 -7.095 1.00 0.00 C ATOM 1527 C PHE B 56 2.658 -3.792 -7.170 1.00 0.00 C ATOM 1528 O PHE B 56 3.799 -3.910 -7.610 1.00 0.00 O ATOM 1529 CB PHE B 56 2.647 -1.573 -5.998 1.00 0.00 C ATOM 1530 CG PHE B 56 2.315 -0.109 -6.087 1.00 0.00 C ATOM 1531 CD1 PHE B 56 1.138 0.385 -5.547 1.00 0.00 C ATOM 1532 CD2 PHE B 56 3.183 0.772 -6.710 1.00 0.00 C ATOM 1533 CE1 PHE B 56 0.832 1.729 -5.629 1.00 0.00 C ATOM 1534 CE2 PHE B 56 2.883 2.119 -6.795 1.00 0.00 C ATOM 1535 CZ PHE B 56 1.706 2.598 -6.254 1.00 0.00 C ATOM 0 H PHE B 56 0.299 -2.585 -5.889 1.00 0.00 H new ATOM 0 HA PHE B 56 2.153 -1.931 -8.058 1.00 0.00 H new ATOM 0 HB2 PHE B 56 2.329 -1.950 -5.026 1.00 0.00 H new ATOM 0 HB3 PHE B 56 3.729 -1.695 -6.049 1.00 0.00 H new ATOM 0 HD1 PHE B 56 0.452 -0.289 -5.056 1.00 0.00 H new ATOM 0 HD2 PHE B 56 4.105 0.403 -7.134 1.00 0.00 H new ATOM 0 HE1 PHE B 56 -0.089 2.101 -5.205 1.00 0.00 H new ATOM 0 HE2 PHE B 56 3.568 2.796 -7.284 1.00 0.00 H new ATOM 0 HZ PHE B 56 1.469 3.650 -6.319 1.00 0.00 H new ATOM 1545 N THR B 57 1.946 -4.830 -6.742 1.00 0.00 N ATOM 1546 CA THR B 57 2.506 -6.182 -6.781 1.00 0.00 C ATOM 1547 C THR B 57 1.777 -7.060 -7.793 1.00 0.00 C ATOM 1548 O THR B 57 2.253 -8.134 -8.153 1.00 0.00 O ATOM 1549 CB THR B 57 2.470 -6.879 -5.398 1.00 0.00 C ATOM 1550 OG1 THR B 57 1.138 -7.301 -5.085 1.00 0.00 O ATOM 1551 CG2 THR B 57 2.966 -5.946 -4.301 1.00 0.00 C ATOM 0 H THR B 57 0.998 -4.767 -6.370 1.00 0.00 H new ATOM 0 HA THR B 57 3.547 -6.062 -7.082 1.00 0.00 H new ATOM 0 HB THR B 57 3.127 -7.747 -5.450 1.00 0.00 H new ATOM 0 HG1 THR B 57 0.507 -6.586 -5.310 1.00 0.00 H new ATOM 0 HG21 THR B 57 2.930 -6.461 -3.341 1.00 0.00 H new ATOM 0 HG22 THR B 57 3.992 -5.647 -4.514 1.00 0.00 H new ATOM 0 HG23 THR B 57 2.331 -5.061 -4.262 1.00 0.00 H new ATOM 1559 N ALA B 58 0.642 -6.585 -8.273 1.00 0.00 N ATOM 1560 CA ALA B 58 -0.202 -7.382 -9.151 1.00 0.00 C ATOM 1561 C ALA B 58 -0.769 -6.527 -10.272 1.00 0.00 C ATOM 1562 O ALA B 58 -0.735 -5.297 -10.208 1.00 0.00 O ATOM 1563 CB ALA B 58 -1.323 -8.037 -8.356 1.00 0.00 C ATOM 0 H ALA B 58 0.282 -5.652 -8.071 1.00 0.00 H new ATOM 0 HA ALA B 58 0.409 -8.166 -9.598 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -1.946 -8.630 -9.026 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.896 -8.684 -7.590 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -1.931 -7.267 -7.882 1.00 0.00 H new ATOM 1569 N ILE B 59 -1.288 -7.186 -11.299 1.00 0.00 N ATOM 1570 CA ILE B 59 -1.784 -6.499 -12.481 1.00 0.00 C ATOM 1571 C ILE B 59 -3.265 -6.193 -12.350 1.00 0.00 C ATOM 1572 O ILE B 59 -3.784 -5.241 -12.938 1.00 0.00 O ATOM 1573 CB ILE B 59 -1.530 -7.339 -13.753 1.00 0.00 C ATOM 1574 CG1 ILE B 59 -0.040 -7.669 -13.886 1.00 0.00 C ATOM 1575 CG2 ILE B 59 -2.025 -6.606 -14.989 1.00 0.00 C ATOM 1576 CD1 ILE B 59 0.279 -8.595 -15.042 1.00 0.00 C ATOM 0 H ILE B 59 -1.376 -8.202 -11.336 1.00 0.00 H new ATOM 0 HA ILE B 59 -1.241 -5.558 -12.569 1.00 0.00 H new ATOM 0 HB ILE B 59 -2.086 -8.272 -13.664 1.00 0.00 H new ATOM 0 HG12 ILE B 59 0.519 -6.741 -14.011 1.00 0.00 H new ATOM 0 HG13 ILE B 59 0.306 -8.127 -12.959 1.00 0.00 H new ATOM 0 HG21 ILE B 59 -1.836 -7.215 -15.873 1.00 0.00 H new ATOM 0 HG22 ILE B 59 -3.095 -6.420 -14.898 1.00 0.00 H new ATOM 0 HG23 ILE B 59 -1.499 -5.656 -15.084 1.00 0.00 H new ATOM 0 HD11 ILE B 59 1.352 -8.783 -15.072 1.00 0.00 H new ATOM 0 HD12 ILE B 59 -0.251 -9.538 -14.910 1.00 0.00 H new ATOM 0 HD13 ILE B 59 -0.035 -8.131 -15.977 1.00 0.00 H new ATOM 1588 N LYS B 60 -3.919 -6.991 -11.548 1.00 0.00 N ATOM 1589 CA LYS B 60 -5.351 -6.865 -11.318 1.00 0.00 C ATOM 1590 C LYS B 60 -5.707 -7.242 -9.883 1.00 0.00 C ATOM 1591 O LYS B 60 -5.413 -8.350 -9.442 1.00 0.00 O ATOM 1592 CB LYS B 60 -6.122 -7.767 -12.286 1.00 0.00 C ATOM 1593 CG LYS B 60 -7.631 -7.693 -12.118 1.00 0.00 C ATOM 1594 CD LYS B 60 -8.339 -8.714 -12.991 1.00 0.00 C ATOM 1595 CE LYS B 60 -9.849 -8.620 -12.841 1.00 0.00 C ATOM 1596 NZ LYS B 60 -10.552 -9.632 -13.672 1.00 0.00 N ATOM 0 H LYS B 60 -3.481 -7.752 -11.030 1.00 0.00 H new ATOM 0 HA LYS B 60 -5.629 -5.825 -11.488 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -5.865 -7.491 -13.309 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -5.799 -8.798 -12.143 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -7.891 -7.864 -11.073 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -7.978 -6.692 -12.373 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -8.065 -8.556 -14.034 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -8.007 -9.717 -12.723 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -10.119 -8.759 -11.794 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -10.181 -7.622 -13.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -11.579 -9.535 -13.542 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -10.314 -9.484 -14.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -10.255 -10.586 -13.383 1.00 0.00 H new ATOM 1610 N PRO B 61 -6.323 -6.320 -9.128 1.00 0.00 N ATOM 1611 CA PRO B 61 -6.850 -6.616 -7.796 1.00 0.00 C ATOM 1612 C PRO B 61 -8.068 -7.531 -7.869 1.00 0.00 C ATOM 1613 O PRO B 61 -8.922 -7.372 -8.744 1.00 0.00 O ATOM 1614 CB PRO B 61 -7.250 -5.243 -7.237 1.00 0.00 C ATOM 1615 CG PRO B 61 -6.633 -4.243 -8.156 1.00 0.00 C ATOM 1616 CD PRO B 61 -6.538 -4.917 -9.493 1.00 0.00 C ATOM 0 HA PRO B 61 -6.120 -7.135 -7.175 1.00 0.00 H new ATOM 0 HB2 PRO B 61 -8.334 -5.132 -7.207 1.00 0.00 H new ATOM 0 HB3 PRO B 61 -6.888 -5.114 -6.217 1.00 0.00 H new ATOM 0 HG2 PRO B 61 -7.241 -3.340 -8.216 1.00 0.00 H new ATOM 0 HG3 PRO B 61 -5.648 -3.941 -7.800 1.00 0.00 H new ATOM 0 HD2 PRO B 61 -7.448 -4.785 -10.079 1.00 0.00 H new ATOM 0 HD3 PRO B 61 -5.715 -4.522 -10.089 1.00 0.00 H new ATOM 1624 N SER B 62 -8.139 -8.487 -6.953 1.00 0.00 N ATOM 1625 CA SER B 62 -9.237 -9.441 -6.920 1.00 0.00 C ATOM 1626 C SER B 62 -10.553 -8.733 -6.616 1.00 0.00 C ATOM 1627 O SER B 62 -10.603 -7.791 -5.816 1.00 0.00 O ATOM 1628 CB SER B 62 -8.959 -10.528 -5.879 1.00 0.00 C ATOM 1629 OG SER B 62 -9.963 -11.528 -5.900 1.00 0.00 O ATOM 0 H SER B 62 -7.444 -8.622 -6.219 1.00 0.00 H new ATOM 0 HA SER B 62 -9.321 -9.910 -7.900 1.00 0.00 H new ATOM 0 HB2 SER B 62 -7.987 -10.981 -6.074 1.00 0.00 H new ATOM 0 HB3 SER B 62 -8.909 -10.080 -4.886 1.00 0.00 H new ATOM 0 HG SER B 62 -9.759 -12.210 -5.227 1.00 0.00 H new ATOM 1635 N LEU B 63 -11.617 -9.209 -7.255 1.00 0.00 N ATOM 1636 CA LEU B 63 -12.919 -8.558 -7.201 1.00 0.00 C ATOM 1637 C LEU B 63 -13.524 -8.609 -5.802 1.00 0.00 C ATOM 1638 O LEU B 63 -14.456 -7.865 -5.503 1.00 0.00 O ATOM 1639 CB LEU B 63 -13.871 -9.198 -8.212 1.00 0.00 C ATOM 1640 CG LEU B 63 -13.413 -9.130 -9.672 1.00 0.00 C ATOM 1641 CD1 LEU B 63 -14.428 -9.803 -10.579 1.00 0.00 C ATOM 1642 CD2 LEU B 63 -13.191 -7.686 -10.099 1.00 0.00 C ATOM 0 H LEU B 63 -11.600 -10.056 -7.824 1.00 0.00 H new ATOM 0 HA LEU B 63 -12.772 -7.509 -7.457 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -14.014 -10.244 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -14.843 -8.712 -8.130 1.00 0.00 H new ATOM 0 HG LEU B 63 -12.465 -9.662 -9.759 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -14.087 -9.746 -11.613 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -14.537 -10.848 -10.290 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -15.390 -9.299 -10.486 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -12.866 -7.660 -11.139 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -14.122 -7.129 -9.996 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -12.426 -7.234 -9.468 1.00 0.00 H new ATOM 1654 N GLY B 64 -12.996 -9.483 -4.952 1.00 0.00 N ATOM 1655 CA GLY B 64 -13.434 -9.522 -3.570 1.00 0.00 C ATOM 1656 C GLY B 64 -13.047 -8.255 -2.833 1.00 0.00 C ATOM 1657 O GLY B 64 -13.850 -7.676 -2.094 1.00 0.00 O ATOM 0 H GLY B 64 -12.275 -10.163 -5.194 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -14.516 -9.651 -3.533 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -12.993 -10.385 -3.071 1.00 0.00 H new ATOM 1661 N LEU B 65 -11.815 -7.810 -3.057 1.00 0.00 N ATOM 1662 CA LEU B 65 -11.332 -6.571 -2.473 1.00 0.00 C ATOM 1663 C LEU B 65 -12.051 -5.392 -3.108 1.00 0.00 C ATOM 1664 O LEU B 65 -12.403 -4.436 -2.430 1.00 0.00 O ATOM 1665 CB LEU B 65 -9.815 -6.418 -2.660 1.00 0.00 C ATOM 1666 CG LEU B 65 -8.930 -7.375 -1.845 1.00 0.00 C ATOM 1667 CD1 LEU B 65 -9.313 -7.350 -0.374 1.00 0.00 C ATOM 1668 CD2 LEU B 65 -8.995 -8.791 -2.395 1.00 0.00 C ATOM 0 H LEU B 65 -11.133 -8.293 -3.642 1.00 0.00 H new ATOM 0 HA LEU B 65 -11.539 -6.596 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -9.585 -6.555 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -9.540 -5.395 -2.404 1.00 0.00 H new ATOM 0 HG LEU B 65 -7.900 -7.029 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -8.672 -8.035 0.181 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -9.189 -6.340 0.017 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -10.353 -7.656 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -8.358 -9.443 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -10.023 -9.150 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -8.650 -8.796 -3.429 1.00 0.00 H new ATOM 1680 N ILE B 66 -12.281 -5.487 -4.413 1.00 0.00 N ATOM 1681 CA ILE B 66 -13.006 -4.455 -5.148 1.00 0.00 C ATOM 1682 C ILE B 66 -14.433 -4.314 -4.614 1.00 0.00 C ATOM 1683 O ILE B 66 -14.963 -3.209 -4.495 1.00 0.00 O ATOM 1684 CB ILE B 66 -13.048 -4.775 -6.661 1.00 0.00 C ATOM 1685 CG1 ILE B 66 -11.626 -4.871 -7.225 1.00 0.00 C ATOM 1686 CG2 ILE B 66 -13.854 -3.728 -7.420 1.00 0.00 C ATOM 1687 CD1 ILE B 66 -10.830 -3.587 -7.109 1.00 0.00 C ATOM 0 H ILE B 66 -11.974 -6.272 -4.987 1.00 0.00 H new ATOM 0 HA ILE B 66 -12.476 -3.514 -5.004 1.00 0.00 H new ATOM 0 HB ILE B 66 -13.541 -5.738 -6.791 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -11.092 -5.666 -6.704 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -11.681 -5.159 -8.275 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -13.867 -3.978 -8.481 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -14.875 -3.709 -7.039 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -13.397 -2.748 -7.283 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -9.836 -3.736 -7.530 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -11.339 -2.793 -7.654 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -10.741 -3.307 -6.059 1.00 0.00 H new ATOM 1699 N ASN B 67 -15.041 -5.441 -4.275 1.00 0.00 N ATOM 1700 CA ASN B 67 -16.398 -5.452 -3.741 1.00 0.00 C ATOM 1701 C ASN B 67 -16.448 -4.775 -2.374 1.00 0.00 C ATOM 1702 O ASN B 67 -17.372 -4.019 -2.077 1.00 0.00 O ATOM 1703 CB ASN B 67 -16.915 -6.889 -3.623 1.00 0.00 C ATOM 1704 CG ASN B 67 -18.367 -6.963 -3.183 1.00 0.00 C ATOM 1705 OD1 ASN B 67 -18.756 -7.864 -2.440 1.00 0.00 O ATOM 1706 ND2 ASN B 67 -19.187 -6.037 -3.661 1.00 0.00 N ATOM 0 H ASN B 67 -14.615 -6.364 -4.360 1.00 0.00 H new ATOM 0 HA ASN B 67 -17.035 -4.898 -4.431 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -16.807 -7.388 -4.586 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -16.297 -7.434 -2.910 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -20.177 -6.056 -3.415 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -18.828 -5.305 -4.274 1.00 0.00 H new ATOM 1713 N ARG B 68 -15.436 -5.027 -1.554 1.00 0.00 N ATOM 1714 CA ARG B 68 -15.404 -4.486 -0.200 1.00 0.00 C ATOM 1715 C ARG B 68 -14.791 -3.089 -0.201 1.00 0.00 C ATOM 1716 O ARG B 68 -14.854 -2.364 0.790 1.00 0.00 O ATOM 1717 CB ARG B 68 -14.616 -5.421 0.720 1.00 0.00 C ATOM 1718 CG ARG B 68 -14.798 -5.127 2.200 1.00 0.00 C ATOM 1719 CD ARG B 68 -14.118 -6.177 3.063 1.00 0.00 C ATOM 1720 NE ARG B 68 -14.616 -7.522 2.778 1.00 0.00 N ATOM 1721 CZ ARG B 68 -14.406 -8.576 3.561 1.00 0.00 C ATOM 1722 NH1 ARG B 68 -13.664 -8.462 4.656 1.00 0.00 N ATOM 1723 NH2 ARG B 68 -14.920 -9.753 3.231 1.00 0.00 N ATOM 0 H ARG B 68 -14.629 -5.600 -1.801 1.00 0.00 H new ATOM 0 HA ARG B 68 -16.425 -4.410 0.174 1.00 0.00 H new ATOM 0 HB2 ARG B 68 -14.920 -6.449 0.524 1.00 0.00 H new ATOM 0 HB3 ARG B 68 -13.557 -5.350 0.473 1.00 0.00 H new ATOM 0 HG2 ARG B 68 -14.388 -4.144 2.430 1.00 0.00 H new ATOM 0 HG3 ARG B 68 -15.861 -5.092 2.437 1.00 0.00 H new ATOM 0 HD2 ARG B 68 -13.042 -6.145 2.894 1.00 0.00 H new ATOM 0 HD3 ARG B 68 -14.282 -5.944 4.115 1.00 0.00 H new ATOM 0 HE ARG B 68 -15.158 -7.660 1.925 1.00 0.00 H new ATOM 0 HH11 ARG B 68 -13.251 -7.562 4.901 1.00 0.00 H new ATOM 0 HH12 ARG B 68 -13.507 -9.274 5.252 1.00 0.00 H new ATOM 0 HH21 ARG B 68 -15.474 -9.847 2.380 1.00 0.00 H new ATOM 0 HH22 ARG B 68 -14.762 -10.564 3.829 1.00 0.00 H new ATOM 1737 N TRP B 69 -14.223 -2.723 -1.337 1.00 0.00 N ATOM 1738 CA TRP B 69 -13.583 -1.430 -1.523 1.00 0.00 C ATOM 1739 C TRP B 69 -14.590 -0.300 -1.327 1.00 0.00 C ATOM 1740 O TRP B 69 -14.350 0.633 -0.567 1.00 0.00 O ATOM 1741 CB TRP B 69 -12.987 -1.384 -2.927 1.00 0.00 C ATOM 1742 CG TRP B 69 -12.047 -0.248 -3.179 1.00 0.00 C ATOM 1743 CD1 TRP B 69 -11.133 0.275 -2.315 1.00 0.00 C ATOM 1744 CD2 TRP B 69 -11.905 0.474 -4.400 1.00 0.00 C ATOM 1745 NE1 TRP B 69 -10.431 1.283 -2.929 1.00 0.00 N ATOM 1746 CE2 TRP B 69 -10.887 1.422 -4.213 1.00 0.00 C ATOM 1747 CE3 TRP B 69 -12.544 0.408 -5.632 1.00 0.00 C ATOM 1748 CZ2 TRP B 69 -10.491 2.295 -5.221 1.00 0.00 C ATOM 1749 CZ3 TRP B 69 -12.154 1.273 -6.633 1.00 0.00 C ATOM 1750 CH2 TRP B 69 -11.131 2.204 -6.422 1.00 0.00 C ATOM 0 H TRP B 69 -14.192 -3.319 -2.164 1.00 0.00 H new ATOM 0 HA TRP B 69 -12.793 -1.298 -0.784 1.00 0.00 H new ATOM 0 HB2 TRP B 69 -12.460 -2.320 -3.112 1.00 0.00 H new ATOM 0 HB3 TRP B 69 -13.801 -1.329 -3.649 1.00 0.00 H new ATOM 0 HD1 TRP B 69 -10.983 -0.054 -1.298 1.00 0.00 H new ATOM 0 HE1 TRP B 69 -9.691 1.838 -2.499 1.00 0.00 H new ATOM 0 HE3 TRP B 69 -13.333 -0.309 -5.803 1.00 0.00 H new ATOM 0 HZ2 TRP B 69 -9.706 3.018 -5.059 1.00 0.00 H new ATOM 0 HZ3 TRP B 69 -12.645 1.231 -7.594 1.00 0.00 H new ATOM 0 HH2 TRP B 69 -10.842 2.864 -7.227 1.00 0.00 H new ATOM 1761 N GLY B 70 -15.735 -0.414 -1.993 1.00 0.00 N ATOM 1762 CA GLY B 70 -16.780 0.587 -1.852 1.00 0.00 C ATOM 1763 C GLY B 70 -17.548 0.428 -0.555 1.00 0.00 C ATOM 1764 O GLY B 70 -18.380 1.265 -0.202 1.00 0.00 O ATOM 0 H GLY B 70 -15.959 -1.181 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY B 70 -16.336 1.582 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY B 70 -17.469 0.512 -2.693 1.00 0.00 H new ATOM 1768 N SER B 71 -17.263 -0.653 0.158 1.00 0.00 N ATOM 1769 CA SER B 71 -17.875 -0.897 1.450 1.00 0.00 C ATOM 1770 C SER B 71 -17.137 -0.098 2.518 1.00 0.00 C ATOM 1771 O SER B 71 -17.681 0.189 3.587 1.00 0.00 O ATOM 1772 CB SER B 71 -17.849 -2.394 1.775 1.00 0.00 C ATOM 1773 OG SER B 71 -18.532 -2.681 2.985 1.00 0.00 O ATOM 0 H SER B 71 -16.608 -1.376 -0.141 1.00 0.00 H new ATOM 0 HA SER B 71 -18.916 -0.576 1.425 1.00 0.00 H new ATOM 0 HB2 SER B 71 -18.307 -2.952 0.958 1.00 0.00 H new ATOM 0 HB3 SER B 71 -16.815 -2.732 1.852 1.00 0.00 H new ATOM 0 HG SER B 71 -18.497 -3.645 3.160 1.00 0.00 H new ATOM 1779 N VAL B 72 -15.895 0.267 2.214 1.00 0.00 N ATOM 1780 CA VAL B 72 -15.110 1.115 3.093 1.00 0.00 C ATOM 1781 C VAL B 72 -15.759 2.486 3.184 1.00 0.00 C ATOM 1782 O VAL B 72 -16.066 3.103 2.163 1.00 0.00 O ATOM 1783 CB VAL B 72 -13.657 1.278 2.589 1.00 0.00 C ATOM 1784 CG1 VAL B 72 -12.844 2.150 3.539 1.00 0.00 C ATOM 1785 CG2 VAL B 72 -12.992 -0.077 2.399 1.00 0.00 C ATOM 0 H VAL B 72 -15.412 -0.015 1.361 1.00 0.00 H new ATOM 0 HA VAL B 72 -15.078 0.639 4.073 1.00 0.00 H new ATOM 0 HB VAL B 72 -13.693 1.776 1.620 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -11.826 2.249 3.161 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -13.302 3.137 3.609 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -12.822 1.689 4.527 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -11.971 0.065 2.044 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -12.975 -0.610 3.349 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -13.553 -0.658 1.667 1.00 0.00 H new ATOM 1795 N GLY B 73 -16.000 2.941 4.403 1.00 0.00 N ATOM 1796 CA GLY B 73 -16.572 4.255 4.592 1.00 0.00 C ATOM 1797 C GLY B 73 -15.646 5.329 4.072 1.00 0.00 C ATOM 1798 O GLY B 73 -14.507 5.425 4.513 1.00 0.00 O ATOM 0 H GLY B 73 -15.810 2.425 5.262 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -17.531 4.316 4.077 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -16.768 4.421 5.651 1.00 0.00 H new ATOM 1802 N LYS B 74 -16.130 6.125 3.125 1.00 0.00 N ATOM 1803 CA LYS B 74 -15.313 7.154 2.485 1.00 0.00 C ATOM 1804 C LYS B 74 -14.771 8.154 3.508 1.00 0.00 C ATOM 1805 O LYS B 74 -13.720 8.753 3.298 1.00 0.00 O ATOM 1806 CB LYS B 74 -16.119 7.868 1.396 1.00 0.00 C ATOM 1807 CG LYS B 74 -17.376 8.550 1.906 1.00 0.00 C ATOM 1808 CD LYS B 74 -18.480 8.523 0.865 1.00 0.00 C ATOM 1809 CE LYS B 74 -19.042 7.121 0.691 1.00 0.00 C ATOM 1810 NZ LYS B 74 -19.755 6.649 1.907 1.00 0.00 N ATOM 0 H LYS B 74 -17.089 6.078 2.781 1.00 0.00 H new ATOM 0 HA LYS B 74 -14.456 6.666 2.021 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -15.483 8.612 0.917 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -16.396 7.144 0.630 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -17.718 8.054 2.815 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -17.150 9.582 2.172 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -19.279 9.203 1.161 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -18.093 8.883 -0.088 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -19.726 7.108 -0.158 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -18.230 6.432 0.457 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -20.344 5.827 1.667 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -19.061 6.377 2.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -20.359 7.412 2.274 1.00 0.00 H new ATOM 1824 N LYS B 75 -15.486 8.317 4.615 1.00 0.00 N ATOM 1825 CA LYS B 75 -15.002 9.134 5.720 1.00 0.00 C ATOM 1826 C LYS B 75 -13.748 8.500 6.303 1.00 0.00 C ATOM 1827 O LYS B 75 -12.675 9.104 6.325 1.00 0.00 O ATOM 1828 CB LYS B 75 -16.083 9.260 6.797 1.00 0.00 C ATOM 1829 CG LYS B 75 -15.786 10.343 7.814 1.00 0.00 C ATOM 1830 CD LYS B 75 -14.748 9.915 8.837 1.00 0.00 C ATOM 1831 CE LYS B 75 -14.257 11.096 9.651 1.00 0.00 C ATOM 1832 NZ LYS B 75 -13.523 12.090 8.821 1.00 0.00 N ATOM 0 H LYS B 75 -16.401 7.895 4.771 1.00 0.00 H new ATOM 0 HA LYS B 75 -14.763 10.133 5.354 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -17.040 9.471 6.320 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -16.187 8.305 7.312 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -15.434 11.236 7.297 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -16.707 10.615 8.329 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -15.177 9.166 9.502 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -13.906 9.445 8.329 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -15.107 11.583 10.129 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -13.604 10.739 10.448 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -13.135 12.835 9.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -12.746 11.616 8.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -14.175 12.515 8.131 1.00 0.00 H new ATOM 1846 N GLU B 76 -13.916 7.283 6.787 1.00 0.00 N ATOM 1847 CA GLU B 76 -12.815 6.486 7.315 1.00 0.00 C ATOM 1848 C GLU B 76 -11.681 6.376 6.296 1.00 0.00 C ATOM 1849 O GLU B 76 -10.506 6.430 6.658 1.00 0.00 O ATOM 1850 CB GLU B 76 -13.312 5.088 7.688 1.00 0.00 C ATOM 1851 CG GLU B 76 -12.283 4.249 8.427 1.00 0.00 C ATOM 1852 CD GLU B 76 -12.007 4.763 9.823 1.00 0.00 C ATOM 1853 OE1 GLU B 76 -12.514 4.160 10.794 1.00 0.00 O ATOM 1854 OE2 GLU B 76 -11.276 5.762 9.963 1.00 0.00 O ATOM 0 H GLU B 76 -14.821 6.815 6.827 1.00 0.00 H new ATOM 0 HA GLU B 76 -12.432 6.984 8.205 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -14.203 5.183 8.308 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -13.610 4.564 6.780 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -12.634 3.219 8.486 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -11.353 4.237 7.858 1.00 0.00 H new ATOM 1861 N ALA B 77 -12.042 6.222 5.024 1.00 0.00 N ATOM 1862 CA ALA B 77 -11.065 6.148 3.950 1.00 0.00 C ATOM 1863 C ALA B 77 -10.174 7.380 3.951 1.00 0.00 C ATOM 1864 O ALA B 77 -8.959 7.267 3.830 1.00 0.00 O ATOM 1865 CB ALA B 77 -11.757 5.992 2.605 1.00 0.00 C ATOM 0 H ALA B 77 -13.011 6.146 4.715 1.00 0.00 H new ATOM 0 HA ALA B 77 -10.440 5.271 4.118 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -11.008 5.939 1.815 1.00 0.00 H new ATOM 0 HB2 ALA B 77 -12.351 5.078 2.605 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -12.409 6.848 2.430 1.00 0.00 H new ATOM 1871 N MET B 78 -10.782 8.554 4.112 1.00 0.00 N ATOM 1872 CA MET B 78 -10.026 9.799 4.193 1.00 0.00 C ATOM 1873 C MET B 78 -9.041 9.737 5.347 1.00 0.00 C ATOM 1874 O MET B 78 -7.875 10.094 5.197 1.00 0.00 O ATOM 1875 CB MET B 78 -10.954 11.006 4.377 1.00 0.00 C ATOM 1876 CG MET B 78 -11.904 11.229 3.215 1.00 0.00 C ATOM 1877 SD MET B 78 -12.877 12.738 3.375 1.00 0.00 S ATOM 1878 CE MET B 78 -13.887 12.637 1.897 1.00 0.00 C ATOM 0 H MET B 78 -11.793 8.668 4.189 1.00 0.00 H new ATOM 0 HA MET B 78 -9.486 9.921 3.254 1.00 0.00 H new ATOM 0 HB2 MET B 78 -11.535 10.870 5.289 1.00 0.00 H new ATOM 0 HB3 MET B 78 -10.348 11.901 4.516 1.00 0.00 H new ATOM 0 HG2 MET B 78 -11.331 11.270 2.288 1.00 0.00 H new ATOM 0 HG3 MET B 78 -12.578 10.376 3.136 1.00 0.00 H new ATOM 0 HE1 MET B 78 -14.548 13.502 1.848 1.00 0.00 H new ATOM 0 HE2 MET B 78 -13.244 12.622 1.017 1.00 0.00 H new ATOM 0 HE3 MET B 78 -14.484 11.726 1.926 1.00 0.00 H new ATOM 1888 N GLU B 79 -9.517 9.258 6.491 1.00 0.00 N ATOM 1889 CA GLU B 79 -8.686 9.132 7.681 1.00 0.00 C ATOM 1890 C GLU B 79 -7.487 8.225 7.403 1.00 0.00 C ATOM 1891 O GLU B 79 -6.337 8.577 7.688 1.00 0.00 O ATOM 1892 CB GLU B 79 -9.500 8.565 8.833 1.00 0.00 C ATOM 1893 CG GLU B 79 -10.781 9.328 9.088 1.00 0.00 C ATOM 1894 CD GLU B 79 -10.559 10.794 9.378 1.00 0.00 C ATOM 1895 OE1 GLU B 79 -10.838 11.626 8.493 1.00 0.00 O ATOM 1896 OE2 GLU B 79 -10.125 11.125 10.502 1.00 0.00 O ATOM 0 H GLU B 79 -10.481 8.949 6.619 1.00 0.00 H new ATOM 0 HA GLU B 79 -8.324 10.123 7.952 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -9.741 7.523 8.621 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -8.893 8.574 9.738 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -11.432 9.232 8.219 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -11.304 8.874 9.930 1.00 0.00 H new ATOM 1903 N ILE B 80 -7.778 7.062 6.827 1.00 0.00 N ATOM 1904 CA ILE B 80 -6.759 6.070 6.508 1.00 0.00 C ATOM 1905 C ILE B 80 -5.769 6.612 5.482 1.00 0.00 C ATOM 1906 O ILE B 80 -4.562 6.517 5.672 1.00 0.00 O ATOM 1907 CB ILE B 80 -7.392 4.768 5.964 1.00 0.00 C ATOM 1908 CG1 ILE B 80 -8.371 4.182 6.986 1.00 0.00 C ATOM 1909 CG2 ILE B 80 -6.308 3.750 5.622 1.00 0.00 C ATOM 1910 CD1 ILE B 80 -9.173 3.011 6.458 1.00 0.00 C ATOM 0 H ILE B 80 -8.724 6.782 6.569 1.00 0.00 H new ATOM 0 HA ILE B 80 -6.230 5.847 7.435 1.00 0.00 H new ATOM 0 HB ILE B 80 -7.942 5.006 5.054 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -7.815 3.862 7.867 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -9.057 4.965 7.309 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -6.771 2.840 5.241 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -5.645 4.165 4.863 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -5.733 3.516 6.518 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -9.844 2.649 7.237 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -9.757 3.330 5.595 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -8.496 2.210 6.162 1.00 0.00 H new ATOM 1922 N ILE B 81 -6.288 7.196 4.406 1.00 0.00 N ATOM 1923 CA ILE B 81 -5.450 7.716 3.329 1.00 0.00 C ATOM 1924 C ILE B 81 -4.500 8.803 3.839 1.00 0.00 C ATOM 1925 O ILE B 81 -3.341 8.866 3.424 1.00 0.00 O ATOM 1926 CB ILE B 81 -6.305 8.264 2.159 1.00 0.00 C ATOM 1927 CG1 ILE B 81 -7.103 7.132 1.496 1.00 0.00 C ATOM 1928 CG2 ILE B 81 -5.438 8.974 1.130 1.00 0.00 C ATOM 1929 CD1 ILE B 81 -6.251 5.992 0.977 1.00 0.00 C ATOM 0 H ILE B 81 -7.289 7.322 4.256 1.00 0.00 H new ATOM 0 HA ILE B 81 -4.855 6.882 2.957 1.00 0.00 H new ATOM 0 HB ILE B 81 -7.006 8.991 2.570 1.00 0.00 H new ATOM 0 HG12 ILE B 81 -7.819 6.737 2.217 1.00 0.00 H new ATOM 0 HG13 ILE B 81 -7.680 7.546 0.669 1.00 0.00 H new ATOM 0 HG21 ILE B 81 -6.066 9.348 0.321 1.00 0.00 H new ATOM 0 HG22 ILE B 81 -4.921 9.809 1.603 1.00 0.00 H new ATOM 0 HG23 ILE B 81 -4.705 8.275 0.727 1.00 0.00 H new ATOM 0 HD11 ILE B 81 -6.892 5.236 0.524 1.00 0.00 H new ATOM 0 HD12 ILE B 81 -5.553 6.370 0.230 1.00 0.00 H new ATOM 0 HD13 ILE B 81 -5.694 5.549 1.803 1.00 0.00 H new ATOM 1941 N LYS B 82 -4.983 9.641 4.750 1.00 0.00 N ATOM 1942 CA LYS B 82 -4.149 10.685 5.337 1.00 0.00 C ATOM 1943 C LYS B 82 -2.979 10.073 6.100 1.00 0.00 C ATOM 1944 O LYS B 82 -1.833 10.501 5.946 1.00 0.00 O ATOM 1945 CB LYS B 82 -4.970 11.579 6.268 1.00 0.00 C ATOM 1946 CG LYS B 82 -6.036 12.387 5.549 1.00 0.00 C ATOM 1947 CD LYS B 82 -6.832 13.248 6.514 1.00 0.00 C ATOM 1948 CE LYS B 82 -7.961 13.978 5.807 1.00 0.00 C ATOM 1949 NZ LYS B 82 -7.464 14.814 4.683 1.00 0.00 N ATOM 0 H LYS B 82 -5.942 9.619 5.097 1.00 0.00 H new ATOM 0 HA LYS B 82 -3.757 11.297 4.525 1.00 0.00 H new ATOM 0 HB2 LYS B 82 -5.446 10.959 7.027 1.00 0.00 H new ATOM 0 HB3 LYS B 82 -4.298 12.261 6.789 1.00 0.00 H new ATOM 0 HG2 LYS B 82 -5.567 13.021 4.797 1.00 0.00 H new ATOM 0 HG3 LYS B 82 -6.710 11.712 5.021 1.00 0.00 H new ATOM 0 HD2 LYS B 82 -7.242 12.623 7.308 1.00 0.00 H new ATOM 0 HD3 LYS B 82 -6.170 13.972 6.988 1.00 0.00 H new ATOM 0 HE2 LYS B 82 -8.681 13.253 5.429 1.00 0.00 H new ATOM 0 HE3 LYS B 82 -8.489 14.609 6.522 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 -8.228 15.435 4.348 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 -6.665 15.394 5.009 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 -7.151 14.199 3.905 1.00 0.00 H new ATOM 1963 N LYS B 83 -3.268 9.057 6.907 1.00 0.00 N ATOM 1964 CA LYS B 83 -2.230 8.380 7.678 1.00 0.00 C ATOM 1965 C LYS B 83 -1.347 7.535 6.767 1.00 0.00 C ATOM 1966 O LYS B 83 -0.162 7.335 7.044 1.00 0.00 O ATOM 1967 CB LYS B 83 -2.852 7.505 8.769 1.00 0.00 C ATOM 1968 CG LYS B 83 -3.702 8.281 9.764 1.00 0.00 C ATOM 1969 CD LYS B 83 -2.904 9.387 10.437 1.00 0.00 C ATOM 1970 CE LYS B 83 -3.762 10.193 11.397 1.00 0.00 C ATOM 1971 NZ LYS B 83 -3.011 11.337 11.979 1.00 0.00 N ATOM 0 H LYS B 83 -4.208 8.685 7.044 1.00 0.00 H new ATOM 0 HA LYS B 83 -1.611 9.141 8.153 1.00 0.00 H new ATOM 0 HB2 LYS B 83 -3.467 6.737 8.300 1.00 0.00 H new ATOM 0 HB3 LYS B 83 -2.056 6.991 9.308 1.00 0.00 H new ATOM 0 HG2 LYS B 83 -4.562 8.712 9.251 1.00 0.00 H new ATOM 0 HG3 LYS B 83 -4.091 7.600 10.521 1.00 0.00 H new ATOM 0 HD2 LYS B 83 -2.063 8.952 10.977 1.00 0.00 H new ATOM 0 HD3 LYS B 83 -2.487 10.049 9.678 1.00 0.00 H new ATOM 0 HE2 LYS B 83 -4.643 10.565 10.873 1.00 0.00 H new ATOM 0 HE3 LYS B 83 -4.117 9.546 12.199 1.00 0.00 H new ATOM 0 HZ1 LYS B 83 -3.629 11.863 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS B 83 -2.184 10.981 12.500 1.00 0.00 H new ATOM 0 HZ3 LYS B 83 -2.694 11.968 11.216 1.00 0.00 H new ATOM 1985 N PHE B 84 -1.933 7.047 5.683 1.00 0.00 N ATOM 1986 CA PHE B 84 -1.208 6.264 4.695 1.00 0.00 C ATOM 1987 C PHE B 84 -0.134 7.131 4.043 1.00 0.00 C ATOM 1988 O PHE B 84 1.040 6.767 4.018 1.00 0.00 O ATOM 1989 CB PHE B 84 -2.178 5.734 3.632 1.00 0.00 C ATOM 1990 CG PHE B 84 -1.796 4.399 3.053 1.00 0.00 C ATOM 1991 CD1 PHE B 84 -0.579 4.218 2.415 1.00 0.00 C ATOM 1992 CD2 PHE B 84 -2.667 3.324 3.141 1.00 0.00 C ATOM 1993 CE1 PHE B 84 -0.237 2.990 1.881 1.00 0.00 C ATOM 1994 CE2 PHE B 84 -2.330 2.094 2.609 1.00 0.00 C ATOM 1995 CZ PHE B 84 -1.114 1.927 1.977 1.00 0.00 C ATOM 0 H PHE B 84 -2.920 7.182 5.465 1.00 0.00 H new ATOM 0 HA PHE B 84 -0.731 5.416 5.187 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -3.172 5.655 4.072 1.00 0.00 H new ATOM 0 HB3 PHE B 84 -2.245 6.462 2.823 1.00 0.00 H new ATOM 0 HD1 PHE B 84 0.110 5.046 2.334 1.00 0.00 H new ATOM 0 HD2 PHE B 84 -3.621 3.449 3.632 1.00 0.00 H new ATOM 0 HE1 PHE B 84 0.716 2.861 1.389 1.00 0.00 H new ATOM 0 HE2 PHE B 84 -3.017 1.264 2.688 1.00 0.00 H new ATOM 0 HZ PHE B 84 -0.849 0.967 1.559 1.00 0.00 H new ATOM 2005 N LYS B 85 -0.545 8.294 3.539 1.00 0.00 N ATOM 2006 CA LYS B 85 0.385 9.239 2.925 1.00 0.00 C ATOM 2007 C LYS B 85 1.425 9.703 3.939 1.00 0.00 C ATOM 2008 O LYS B 85 2.591 9.918 3.599 1.00 0.00 O ATOM 2009 CB LYS B 85 -0.363 10.455 2.371 1.00 0.00 C ATOM 2010 CG LYS B 85 -1.333 10.127 1.249 1.00 0.00 C ATOM 2011 CD LYS B 85 -2.022 11.382 0.737 1.00 0.00 C ATOM 2012 CE LYS B 85 -2.989 11.073 -0.395 1.00 0.00 C ATOM 2013 NZ LYS B 85 -3.683 12.297 -0.877 1.00 0.00 N ATOM 0 H LYS B 85 -1.517 8.604 3.544 1.00 0.00 H new ATOM 0 HA LYS B 85 0.887 8.727 2.104 1.00 0.00 H new ATOM 0 HB2 LYS B 85 -0.911 10.932 3.183 1.00 0.00 H new ATOM 0 HB3 LYS B 85 0.364 11.181 2.008 1.00 0.00 H new ATOM 0 HG2 LYS B 85 -0.798 9.643 0.432 1.00 0.00 H new ATOM 0 HG3 LYS B 85 -2.080 9.418 1.606 1.00 0.00 H new ATOM 0 HD2 LYS B 85 -2.561 11.860 1.555 1.00 0.00 H new ATOM 0 HD3 LYS B 85 -1.272 12.093 0.391 1.00 0.00 H new ATOM 0 HE2 LYS B 85 -2.447 10.613 -1.221 1.00 0.00 H new ATOM 0 HE3 LYS B 85 -3.727 10.347 -0.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 -4.645 12.051 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 -3.735 12.993 -0.106 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 -3.155 12.703 -1.676 1.00 0.00 H new ATOM 2027 N LYS B 86 0.987 9.850 5.185 1.00 0.00 N ATOM 2028 CA LYS B 86 1.866 10.253 6.276 1.00 0.00 C ATOM 2029 C LYS B 86 2.972 9.221 6.486 1.00 0.00 C ATOM 2030 O LYS B 86 4.148 9.573 6.616 1.00 0.00 O ATOM 2031 CB LYS B 86 1.053 10.426 7.565 1.00 0.00 C ATOM 2032 CG LYS B 86 1.877 10.861 8.768 1.00 0.00 C ATOM 2033 CD LYS B 86 2.484 12.241 8.568 1.00 0.00 C ATOM 2034 CE LYS B 86 3.249 12.698 9.801 1.00 0.00 C ATOM 2035 NZ LYS B 86 2.377 12.772 11.004 1.00 0.00 N ATOM 0 H LYS B 86 0.019 9.694 5.466 1.00 0.00 H new ATOM 0 HA LYS B 86 2.329 11.205 6.016 1.00 0.00 H new ATOM 0 HB2 LYS B 86 0.269 11.162 7.391 1.00 0.00 H new ATOM 0 HB3 LYS B 86 0.559 9.483 7.799 1.00 0.00 H new ATOM 0 HG2 LYS B 86 1.247 10.867 9.657 1.00 0.00 H new ATOM 0 HG3 LYS B 86 2.672 10.137 8.945 1.00 0.00 H new ATOM 0 HD2 LYS B 86 3.154 12.224 7.709 1.00 0.00 H new ATOM 0 HD3 LYS B 86 1.694 12.958 8.342 1.00 0.00 H new ATOM 0 HE2 LYS B 86 4.072 12.010 9.992 1.00 0.00 H new ATOM 0 HE3 LYS B 86 3.689 13.677 9.612 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 2.850 13.333 11.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 1.474 13.223 10.751 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 2.197 11.812 11.362 1.00 0.00 H new ATOM 2049 N ASP B 87 2.596 7.947 6.501 1.00 0.00 N ATOM 2050 CA ASP B 87 3.562 6.877 6.720 1.00 0.00 C ATOM 2051 C ASP B 87 4.466 6.726 5.505 1.00 0.00 C ATOM 2052 O ASP B 87 5.652 6.446 5.645 1.00 0.00 O ATOM 2053 CB ASP B 87 2.865 5.549 7.028 1.00 0.00 C ATOM 2054 CG ASP B 87 3.781 4.573 7.748 1.00 0.00 C ATOM 2055 OD1 ASP B 87 4.590 3.895 7.087 1.00 0.00 O ATOM 2056 OD2 ASP B 87 3.695 4.484 8.993 1.00 0.00 O ATOM 0 H ASP B 87 1.636 7.631 6.365 1.00 0.00 H new ATOM 0 HA ASP B 87 4.168 7.146 7.585 1.00 0.00 H new ATOM 0 HB2 ASP B 87 1.984 5.737 7.641 1.00 0.00 H new ATOM 0 HB3 ASP B 87 2.517 5.099 6.098 1.00 0.00 H new ATOM 2061 N LEU B 88 3.904 6.937 4.315 1.00 0.00 N ATOM 2062 CA LEU B 88 4.681 6.897 3.076 1.00 0.00 C ATOM 2063 C LEU B 88 5.779 7.951 3.101 1.00 0.00 C ATOM 2064 O LEU B 88 6.919 7.694 2.709 1.00 0.00 O ATOM 2065 CB LEU B 88 3.785 7.141 1.861 1.00 0.00 C ATOM 2066 CG LEU B 88 2.741 6.065 1.572 1.00 0.00 C ATOM 2067 CD1 LEU B 88 1.902 6.469 0.375 1.00 0.00 C ATOM 2068 CD2 LEU B 88 3.404 4.718 1.325 1.00 0.00 C ATOM 0 H LEU B 88 2.913 7.138 4.183 1.00 0.00 H new ATOM 0 HA LEU B 88 5.127 5.906 2.998 1.00 0.00 H new ATOM 0 HB2 LEU B 88 3.269 8.091 2.000 1.00 0.00 H new ATOM 0 HB3 LEU B 88 4.420 7.248 0.982 1.00 0.00 H new ATOM 0 HG LEU B 88 2.094 5.967 2.443 1.00 0.00 H new ATOM 0 HD11 LEU B 88 1.159 5.697 0.174 1.00 0.00 H new ATOM 0 HD12 LEU B 88 1.398 7.412 0.586 1.00 0.00 H new ATOM 0 HD13 LEU B 88 2.545 6.589 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU B 88 2.640 3.968 1.121 1.00 0.00 H new ATOM 0 HD22 LEU B 88 4.075 4.794 0.469 1.00 0.00 H new ATOM 0 HD23 LEU B 88 3.973 4.425 2.207 1.00 0.00 H new ATOM 2080 N ALA B 89 5.421 9.141 3.566 1.00 0.00 N ATOM 2081 CA ALA B 89 6.373 10.232 3.696 1.00 0.00 C ATOM 2082 C ALA B 89 7.456 9.874 4.703 1.00 0.00 C ATOM 2083 O ALA B 89 8.622 10.243 4.540 1.00 0.00 O ATOM 2084 CB ALA B 89 5.655 11.502 4.114 1.00 0.00 C ATOM 0 H ALA B 89 4.473 9.374 3.860 1.00 0.00 H new ATOM 0 HA ALA B 89 6.847 10.402 2.729 1.00 0.00 H new ATOM 0 HB1 ALA B 89 6.377 12.314 4.209 1.00 0.00 H new ATOM 0 HB2 ALA B 89 4.911 11.764 3.362 1.00 0.00 H new ATOM 0 HB3 ALA B 89 5.161 11.342 5.072 1.00 0.00 H new ATOM 2090 N ALA B 90 7.061 9.148 5.742 1.00 0.00 N ATOM 2091 CA ALA B 90 7.999 8.669 6.740 1.00 0.00 C ATOM 2092 C ALA B 90 8.898 7.592 6.147 1.00 0.00 C ATOM 2093 O ALA B 90 10.101 7.582 6.392 1.00 0.00 O ATOM 2094 CB ALA B 90 7.259 8.140 7.959 1.00 0.00 C ATOM 0 H ALA B 90 6.092 8.879 5.912 1.00 0.00 H new ATOM 0 HA ALA B 90 8.624 9.504 7.058 1.00 0.00 H new ATOM 0 HB1 ALA B 90 7.979 7.785 8.696 1.00 0.00 H new ATOM 0 HB2 ALA B 90 6.657 8.938 8.394 1.00 0.00 H new ATOM 0 HB3 ALA B 90 6.609 7.317 7.661 1.00 0.00 H new ATOM 2100 N MET B 91 8.305 6.699 5.350 1.00 0.00 N ATOM 2101 CA MET B 91 9.058 5.642 4.676 1.00 0.00 C ATOM 2102 C MET B 91 10.214 6.243 3.900 1.00 0.00 C ATOM 2103 O MET B 91 11.369 5.897 4.124 1.00 0.00 O ATOM 2104 CB MET B 91 8.173 4.854 3.703 1.00 0.00 C ATOM 2105 CG MET B 91 7.046 4.074 4.354 1.00 0.00 C ATOM 2106 SD MET B 91 6.027 3.210 3.143 1.00 0.00 S ATOM 2107 CE MET B 91 4.764 2.504 4.197 1.00 0.00 C ATOM 0 H MET B 91 7.304 6.689 5.157 1.00 0.00 H new ATOM 0 HA MET B 91 9.428 4.963 5.445 1.00 0.00 H new ATOM 0 HB2 MET B 91 7.745 5.549 2.980 1.00 0.00 H new ATOM 0 HB3 MET B 91 8.801 4.160 3.144 1.00 0.00 H new ATOM 0 HG2 MET B 91 7.464 3.352 5.056 1.00 0.00 H new ATOM 0 HG3 MET B 91 6.421 4.755 4.932 1.00 0.00 H new ATOM 0 HE1 MET B 91 4.392 1.582 3.751 1.00 0.00 H new ATOM 0 HE2 MET B 91 5.188 2.288 5.178 1.00 0.00 H new ATOM 0 HE3 MET B 91 3.942 3.212 4.305 1.00 0.00 H new ATOM 2117 N LEU B 92 9.879 7.162 3.003 1.00 0.00 N ATOM 2118 CA LEU B 92 10.862 7.851 2.177 1.00 0.00 C ATOM 2119 C LEU B 92 11.955 8.484 3.031 1.00 0.00 C ATOM 2120 O LEU B 92 13.144 8.324 2.758 1.00 0.00 O ATOM 2121 CB LEU B 92 10.164 8.928 1.347 1.00 0.00 C ATOM 2122 CG LEU B 92 11.095 9.875 0.597 1.00 0.00 C ATOM 2123 CD1 LEU B 92 11.937 9.109 -0.411 1.00 0.00 C ATOM 2124 CD2 LEU B 92 10.290 10.970 -0.083 1.00 0.00 C ATOM 0 H LEU B 92 8.917 7.451 2.828 1.00 0.00 H new ATOM 0 HA LEU B 92 11.330 7.120 1.517 1.00 0.00 H new ATOM 0 HB2 LEU B 92 9.509 8.440 0.625 1.00 0.00 H new ATOM 0 HB3 LEU B 92 9.527 9.517 2.007 1.00 0.00 H new ATOM 0 HG LEU B 92 11.773 10.342 1.312 1.00 0.00 H new ATOM 0 HD11 LEU B 92 12.595 9.801 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU B 92 12.537 8.362 0.109 1.00 0.00 H new ATOM 0 HD13 LEU B 92 11.284 8.614 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU B 92 10.965 11.640 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU B 92 9.591 10.522 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU B 92 9.736 11.534 0.668 1.00 0.00 H new ATOM 2136 N ARG B 93 11.537 9.193 4.069 1.00 0.00 N ATOM 2137 CA ARG B 93 12.451 9.860 4.975 1.00 0.00 C ATOM 2138 C ARG B 93 13.424 8.860 5.599 1.00 0.00 C ATOM 2139 O ARG B 93 14.612 9.151 5.780 1.00 0.00 O ATOM 2140 CB ARG B 93 11.631 10.558 6.054 1.00 0.00 C ATOM 2141 CG ARG B 93 12.437 11.464 6.951 1.00 0.00 C ATOM 2142 CD ARG B 93 11.539 12.156 7.957 1.00 0.00 C ATOM 2143 NE ARG B 93 12.283 13.041 8.847 1.00 0.00 N ATOM 2144 CZ ARG B 93 12.041 13.160 10.152 1.00 0.00 C ATOM 2145 NH1 ARG B 93 11.119 12.400 10.733 1.00 0.00 N ATOM 2146 NH2 ARG B 93 12.734 14.026 10.882 1.00 0.00 N ATOM 0 H ARG B 93 10.553 9.320 4.304 1.00 0.00 H new ATOM 0 HA ARG B 93 13.044 10.592 4.427 1.00 0.00 H new ATOM 0 HB2 ARG B 93 10.845 11.143 5.576 1.00 0.00 H new ATOM 0 HB3 ARG B 93 11.139 9.803 6.666 1.00 0.00 H new ATOM 0 HG2 ARG B 93 13.198 10.884 7.473 1.00 0.00 H new ATOM 0 HG3 ARG B 93 12.960 12.208 6.350 1.00 0.00 H new ATOM 0 HD2 ARG B 93 10.780 12.732 7.427 1.00 0.00 H new ATOM 0 HD3 ARG B 93 11.015 11.406 8.549 1.00 0.00 H new ATOM 0 HE ARG B 93 13.034 13.603 8.446 1.00 0.00 H new ATOM 0 HH11 ARG B 93 10.594 11.723 10.180 1.00 0.00 H new ATOM 0 HH12 ARG B 93 10.936 12.494 11.732 1.00 0.00 H new ATOM 0 HH21 ARG B 93 13.453 14.602 10.444 1.00 0.00 H new ATOM 0 HH22 ARG B 93 12.547 14.116 11.881 1.00 0.00 H new ATOM 2160 N ILE B 94 12.918 7.676 5.914 1.00 0.00 N ATOM 2161 CA ILE B 94 13.738 6.630 6.494 1.00 0.00 C ATOM 2162 C ILE B 94 14.615 5.967 5.431 1.00 0.00 C ATOM 2163 O ILE B 94 15.727 5.543 5.730 1.00 0.00 O ATOM 2164 CB ILE B 94 12.880 5.569 7.209 1.00 0.00 C ATOM 2165 CG1 ILE B 94 12.023 6.228 8.292 1.00 0.00 C ATOM 2166 CG2 ILE B 94 13.768 4.497 7.822 1.00 0.00 C ATOM 2167 CD1 ILE B 94 11.003 5.300 8.912 1.00 0.00 C ATOM 0 H ILE B 94 11.941 7.419 5.776 1.00 0.00 H new ATOM 0 HA ILE B 94 14.383 7.101 7.235 1.00 0.00 H new ATOM 0 HB ILE B 94 12.223 5.100 6.477 1.00 0.00 H new ATOM 0 HG12 ILE B 94 12.676 6.611 9.076 1.00 0.00 H new ATOM 0 HG13 ILE B 94 11.506 7.085 7.861 1.00 0.00 H new ATOM 0 HG21 ILE B 94 13.148 3.754 8.324 1.00 0.00 H new ATOM 0 HG22 ILE B 94 14.350 4.014 7.037 1.00 0.00 H new ATOM 0 HG23 ILE B 94 14.444 4.954 8.545 1.00 0.00 H new ATOM 0 HD11 ILE B 94 10.434 5.839 9.670 1.00 0.00 H new ATOM 0 HD12 ILE B 94 10.325 4.937 8.140 1.00 0.00 H new ATOM 0 HD13 ILE B 94 11.513 4.455 9.374 1.00 0.00 H new ATOM 2179 N ILE B 95 14.129 5.890 4.189 1.00 0.00 N ATOM 2180 CA ILE B 95 14.934 5.349 3.091 1.00 0.00 C ATOM 2181 C ILE B 95 16.210 6.168 2.937 1.00 0.00 C ATOM 2182 O ILE B 95 17.278 5.634 2.646 1.00 0.00 O ATOM 2183 CB ILE B 95 14.181 5.337 1.737 1.00 0.00 C ATOM 2184 CG1 ILE B 95 12.852 4.598 1.864 1.00 0.00 C ATOM 2185 CG2 ILE B 95 15.038 4.655 0.680 1.00 0.00 C ATOM 2186 CD1 ILE B 95 13.015 3.123 2.129 1.00 0.00 C ATOM 0 H ILE B 95 13.192 6.192 3.921 1.00 0.00 H new ATOM 0 HA ILE B 95 15.162 4.315 3.350 1.00 0.00 H new ATOM 0 HB ILE B 95 13.982 6.368 1.444 1.00 0.00 H new ATOM 0 HG12 ILE B 95 12.272 5.044 2.672 1.00 0.00 H new ATOM 0 HG13 ILE B 95 12.279 4.735 0.947 1.00 0.00 H new ATOM 0 HG21 ILE B 95 14.506 4.648 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE B 95 15.976 5.198 0.567 1.00 0.00 H new ATOM 0 HG23 ILE B 95 15.246 3.630 0.986 1.00 0.00 H new ATOM 0 HD11 ILE B 95 12.033 2.657 2.209 1.00 0.00 H new ATOM 0 HD12 ILE B 95 13.569 2.665 1.309 1.00 0.00 H new ATOM 0 HD13 ILE B 95 13.561 2.979 3.061 1.00 0.00 H new ATOM 2198 N ASN B 96 16.092 7.473 3.148 1.00 0.00 N ATOM 2199 CA ASN B 96 17.253 8.351 3.126 1.00 0.00 C ATOM 2200 C ASN B 96 18.120 8.121 4.351 1.00 0.00 C ATOM 2201 O ASN B 96 19.348 8.149 4.267 1.00 0.00 O ATOM 2202 CB ASN B 96 16.838 9.824 3.071 1.00 0.00 C ATOM 2203 CG ASN B 96 16.308 10.253 1.716 1.00 0.00 C ATOM 2204 OD1 ASN B 96 15.113 10.154 1.440 1.00 0.00 O ATOM 2205 ND2 ASN B 96 17.193 10.754 0.868 1.00 0.00 N ATOM 0 H ASN B 96 15.207 7.945 3.336 1.00 0.00 H new ATOM 0 HA ASN B 96 17.822 8.114 2.227 1.00 0.00 H new ATOM 0 HB2 ASN B 96 16.073 10.006 3.826 1.00 0.00 H new ATOM 0 HB3 ASN B 96 17.696 10.445 3.330 1.00 0.00 H new ATOM 0 HD21 ASN B 96 16.892 11.075 -0.052 1.00 0.00 H new ATOM 0 HD22 ASN B 96 18.175 10.819 1.135 1.00 0.00 H new ATOM 2212 N ALA B 97 17.478 7.905 5.494 1.00 0.00 N ATOM 2213 CA ALA B 97 18.199 7.608 6.724 1.00 0.00 C ATOM 2214 C ALA B 97 19.024 6.345 6.562 1.00 0.00 C ATOM 2215 O ALA B 97 20.148 6.249 7.051 1.00 0.00 O ATOM 2216 CB ALA B 97 17.237 7.435 7.878 1.00 0.00 C ATOM 0 H ALA B 97 16.463 7.930 5.593 1.00 0.00 H new ATOM 0 HA ALA B 97 18.862 8.447 6.937 1.00 0.00 H new ATOM 0 HB1 ALA B 97 17.796 7.214 8.787 1.00 0.00 H new ATOM 0 HB2 ALA B 97 16.667 8.353 8.017 1.00 0.00 H new ATOM 0 HB3 ALA B 97 16.554 6.613 7.663 1.00 0.00 H new ATOM 2222 N ARG B 98 18.451 5.384 5.861 1.00 0.00 N ATOM 2223 CA ARG B 98 19.120 4.130 5.592 1.00 0.00 C ATOM 2224 C ARG B 98 19.495 4.087 4.123 1.00 0.00 C ATOM 2225 O ARG B 98 19.186 3.139 3.401 1.00 0.00 O ATOM 2226 CB ARG B 98 18.239 2.936 5.989 1.00 0.00 C ATOM 2227 CG ARG B 98 16.921 2.845 5.235 1.00 0.00 C ATOM 2228 CD ARG B 98 16.004 1.805 5.851 1.00 0.00 C ATOM 2229 NE ARG B 98 16.621 0.480 5.904 1.00 0.00 N ATOM 2230 CZ ARG B 98 16.563 -0.328 6.965 1.00 0.00 C ATOM 2231 NH1 ARG B 98 15.966 0.071 8.085 1.00 0.00 N ATOM 2232 NH2 ARG B 98 17.119 -1.530 6.908 1.00 0.00 N ATOM 0 H ARG B 98 17.514 5.452 5.465 1.00 0.00 H new ATOM 0 HA ARG B 98 20.026 4.060 6.194 1.00 0.00 H new ATOM 0 HB2 ARG B 98 18.801 2.016 5.825 1.00 0.00 H new ATOM 0 HB3 ARG B 98 18.029 2.995 7.057 1.00 0.00 H new ATOM 0 HG2 ARG B 98 16.428 3.817 5.242 1.00 0.00 H new ATOM 0 HG3 ARG B 98 17.113 2.592 4.192 1.00 0.00 H new ATOM 0 HD2 ARG B 98 15.731 2.116 6.859 1.00 0.00 H new ATOM 0 HD3 ARG B 98 15.081 1.750 5.274 1.00 0.00 H new ATOM 0 HE ARG B 98 17.126 0.154 5.080 1.00 0.00 H new ATOM 0 HH11 ARG B 98 15.548 1.000 8.137 1.00 0.00 H new ATOM 0 HH12 ARG B 98 15.926 -0.552 8.891 1.00 0.00 H new ATOM 0 HH21 ARG B 98 17.589 -1.835 6.056 1.00 0.00 H new ATOM 0 HH22 ARG B 98 17.077 -2.150 7.717 1.00 0.00 H new