USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 639 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 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= 0.00268 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 165:sc= -0.0944 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0456 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= 0.0205 (180deg=-0.00112) USER MOD Single : A 52 GLN : amide:sc= -0.0747 K(o=-0.075,f=-1.6!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.752 F(o=-1.6!,f=-0.75) USER MOD Single : A 61 SER OG : rot 38:sc= 0.524 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc=-0.00868 USER MOD Single : A 76 LYS NZ :NH3+ 148:sc= -2.12 (180deg=-3.99!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.48! C(o=-2.5!,f=-4.9!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0428 USER MOD Single : A 86 TYR OH : rot 150:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.84! C(o=-1.8!,f=-2.9!) USER MOD Single : A 92 SER OG : rot -82:sc= 0.0923 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.651 X(o=-0.65,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 136 N TRP A 13 -6.836 -12.267 -0.612 1.00 0.00 N ATOM 137 CA TRP A 13 -6.484 -11.115 -1.433 1.00 0.00 C ATOM 138 C TRP A 13 -5.052 -10.668 -1.159 1.00 0.00 C ATOM 139 O TRP A 13 -4.702 -10.332 -0.027 1.00 0.00 O ATOM 140 CB TRP A 13 -7.451 -9.959 -1.170 1.00 0.00 C ATOM 141 CG TRP A 13 -7.126 -8.722 -1.951 1.00 0.00 C ATOM 142 CD1 TRP A 13 -6.003 -7.953 -1.839 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.933 -8.112 -2.964 1.00 0.00 C ATOM 144 NE1 TRP A 13 -6.063 -6.901 -2.721 1.00 0.00 N ATOM 145 CE2 TRP A 13 -7.237 -6.976 -3.423 1.00 0.00 C ATOM 146 CE3 TRP A 13 -9.175 -8.414 -3.529 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.744 -6.145 -4.418 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.676 -7.588 -4.516 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.962 -6.465 -4.954 1.00 0.00 C ATOM 0 HA TRP A 13 -6.559 -11.411 -2.479 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.464 -10.279 -1.415 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.441 -9.721 -0.106 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.187 -8.144 -1.157 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.349 -6.181 -2.835 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.733 -9.278 -3.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.195 -5.278 -4.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.636 -7.812 -4.958 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.381 -5.840 -5.729 1.00 0.00 H new ATOM 160 N HIS A 14 -4.227 -10.668 -2.201 1.00 0.00 N ATOM 161 CA HIS A 14 -2.832 -10.261 -2.072 1.00 0.00 C ATOM 162 C HIS A 14 -2.466 -9.229 -3.134 1.00 0.00 C ATOM 163 O HIS A 14 -3.024 -9.227 -4.232 1.00 0.00 O ATOM 164 CB HIS A 14 -1.912 -11.477 -2.188 1.00 0.00 C ATOM 165 CG HIS A 14 -1.654 -11.900 -3.601 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.582 -12.575 -4.366 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.565 -11.740 -4.389 1.00 0.00 C ATOM 168 CE1 HIS A 14 -2.075 -12.813 -5.562 1.00 0.00 C ATOM 169 NE2 HIS A 14 -0.852 -12.316 -5.602 1.00 0.00 N ATOM 0 H HIS A 14 -4.500 -10.945 -3.144 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.701 -9.807 -1.090 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.961 -11.250 -1.706 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.355 -12.311 -1.643 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.358 -11.250 -4.115 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.575 -13.327 -6.370 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.223 -12.354 -6.404 1.00 0.00 H new ATOM 178 N LEU A 15 -1.527 -8.351 -2.799 1.00 0.00 N ATOM 179 CA LEU A 15 -1.087 -7.311 -3.723 1.00 0.00 C ATOM 180 C LEU A 15 0.434 -7.191 -3.723 1.00 0.00 C ATOM 181 O LEU A 15 1.095 -7.558 -2.753 1.00 0.00 O ATOM 182 CB LEU A 15 -1.716 -5.968 -3.349 1.00 0.00 C ATOM 183 CG LEU A 15 -1.638 -4.871 -4.411 1.00 0.00 C ATOM 184 CD1 LEU A 15 -2.789 -4.999 -5.397 1.00 0.00 C ATOM 185 CD2 LEU A 15 -1.642 -3.496 -3.759 1.00 0.00 C ATOM 0 H LEU A 15 -1.056 -8.338 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.411 -7.590 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.765 -6.136 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.233 -5.603 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.703 -4.989 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.717 -4.210 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.741 -5.971 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.736 -4.909 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.586 -2.728 -4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.560 -3.368 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.783 -3.406 -3.094 1.00 0.00 H new ATOM 197 N ALA A 16 0.981 -6.672 -4.818 1.00 0.00 N ATOM 198 CA ALA A 16 2.423 -6.499 -4.942 1.00 0.00 C ATOM 199 C ALA A 16 2.833 -5.064 -4.626 1.00 0.00 C ATOM 200 O ALA A 16 2.069 -4.126 -4.852 1.00 0.00 O ATOM 201 CB ALA A 16 2.882 -6.885 -6.340 1.00 0.00 C ATOM 0 H ALA A 16 0.447 -6.364 -5.631 1.00 0.00 H new ATOM 0 HA ALA A 16 2.907 -7.155 -4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.961 -6.751 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.631 -7.929 -6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.383 -6.252 -7.074 1.00 0.00 H new ATOM 207 N VAL A 17 4.043 -4.902 -4.101 1.00 0.00 N ATOM 208 CA VAL A 17 4.555 -3.581 -3.754 1.00 0.00 C ATOM 209 C VAL A 17 5.968 -3.381 -4.290 1.00 0.00 C ATOM 210 O VAL A 17 6.849 -4.214 -4.075 1.00 0.00 O ATOM 211 CB VAL A 17 4.560 -3.364 -2.229 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.274 -2.068 -1.877 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.139 -3.364 -1.687 1.00 0.00 C ATOM 0 H VAL A 17 4.687 -5.669 -3.907 1.00 0.00 H new ATOM 0 HA VAL A 17 3.889 -2.852 -4.215 1.00 0.00 H new ATOM 0 HB VAL A 17 5.102 -4.187 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.268 -1.931 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.304 -2.112 -2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.763 -1.230 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.161 -3.210 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.570 -2.562 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.666 -4.321 -1.907 1.00 0.00 H new ATOM 223 N LYS A 18 6.179 -2.271 -4.988 1.00 0.00 N ATOM 224 CA LYS A 18 7.486 -1.958 -5.554 1.00 0.00 C ATOM 225 C LYS A 18 7.902 -0.532 -5.207 1.00 0.00 C ATOM 226 O LYS A 18 7.099 0.398 -5.290 1.00 0.00 O ATOM 227 CB LYS A 18 7.463 -2.139 -7.073 1.00 0.00 C ATOM 228 CG LYS A 18 7.521 -3.591 -7.514 1.00 0.00 C ATOM 229 CD LYS A 18 8.903 -4.185 -7.295 1.00 0.00 C ATOM 230 CE LYS A 18 9.922 -3.596 -8.257 1.00 0.00 C ATOM 231 NZ LYS A 18 11.023 -4.554 -8.553 1.00 0.00 N ATOM 0 H LYS A 18 5.461 -1.572 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 18 8.215 -2.645 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.556 -1.683 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.307 -1.602 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.783 -4.170 -6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.256 -3.663 -8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.221 -4.000 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.860 -5.266 -7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.425 -3.316 -9.186 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.339 -2.684 -7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.519 -4.257 -9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.693 -4.569 -7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.627 -5.506 -8.691 1.00 0.00 H new ATOM 245 N LEU A 19 9.162 -0.367 -4.820 1.00 0.00 N ATOM 246 CA LEU A 19 9.686 0.947 -4.462 1.00 0.00 C ATOM 247 C LEU A 19 10.111 1.721 -5.705 1.00 0.00 C ATOM 248 O LEU A 19 11.032 1.318 -6.415 1.00 0.00 O ATOM 249 CB LEU A 19 10.872 0.802 -3.507 1.00 0.00 C ATOM 250 CG LEU A 19 11.195 2.024 -2.647 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.427 1.971 -1.335 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.692 2.113 -2.387 1.00 0.00 C ATOM 0 H LEU A 19 9.840 -1.126 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 19 8.892 1.504 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.679 -0.042 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.756 0.551 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 19 10.887 2.918 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.669 2.849 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.357 1.956 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.704 1.070 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.903 2.989 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.025 1.216 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.222 2.198 -3.336 1.00 0.00 H new ATOM 264 N ALA A 20 9.435 2.836 -5.962 1.00 0.00 N ATOM 265 CA ALA A 20 9.745 3.669 -7.117 1.00 0.00 C ATOM 266 C ALA A 20 11.161 4.228 -7.026 1.00 0.00 C ATOM 267 O ALA A 20 11.842 4.389 -8.039 1.00 0.00 O ATOM 268 CB ALA A 20 8.736 4.801 -7.238 1.00 0.00 C ATOM 0 H ALA A 20 8.669 3.183 -5.385 1.00 0.00 H new ATOM 0 HA ALA A 20 9.684 3.046 -8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.980 5.415 -8.105 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.736 4.385 -7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.768 5.415 -6.338 1.00 0.00 H new ATOM 274 N ASP A 21 11.598 4.523 -5.807 1.00 0.00 N ATOM 275 CA ASP A 21 12.934 5.064 -5.584 1.00 0.00 C ATOM 276 C ASP A 21 14.004 4.039 -5.947 1.00 0.00 C ATOM 277 O ASP A 21 15.067 4.392 -6.456 1.00 0.00 O ATOM 278 CB ASP A 21 13.096 5.494 -4.125 1.00 0.00 C ATOM 279 CG ASP A 21 12.620 6.913 -3.883 1.00 0.00 C ATOM 280 OD1 ASP A 21 11.489 7.238 -4.302 1.00 0.00 O ATOM 281 OD2 ASP A 21 13.377 7.698 -3.275 1.00 0.00 O ATOM 0 H ASP A 21 11.047 4.397 -4.958 1.00 0.00 H new ATOM 0 HA ASP A 21 13.058 5.935 -6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.537 4.812 -3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.145 5.412 -3.839 1.00 0.00 H new ATOM 286 N GLN A 22 13.714 2.770 -5.679 1.00 0.00 N ATOM 287 CA GLN A 22 14.652 1.694 -5.977 1.00 0.00 C ATOM 288 C GLN A 22 14.015 0.652 -6.889 1.00 0.00 C ATOM 289 O GLN A 22 13.371 -0.295 -6.437 1.00 0.00 O ATOM 290 CB GLN A 22 15.129 1.032 -4.682 1.00 0.00 C ATOM 291 CG GLN A 22 15.835 1.988 -3.734 1.00 0.00 C ATOM 292 CD GLN A 22 16.825 1.285 -2.827 1.00 0.00 C ATOM 293 OE1 GLN A 22 17.807 0.705 -3.291 1.00 0.00 O ATOM 294 NE2 GLN A 22 16.572 1.334 -1.524 1.00 0.00 N ATOM 0 H GLN A 22 12.838 2.462 -5.257 1.00 0.00 H new ATOM 0 HA GLN A 22 15.509 2.126 -6.494 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.272 0.594 -4.171 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.805 0.214 -4.930 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.357 2.750 -4.314 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.093 2.504 -3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.746 1.826 -1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.204 0.880 -0.864 1.00 0.00 H new ATOM 303 N PRO A 23 14.195 0.829 -8.207 1.00 0.00 N ATOM 304 CA PRO A 23 13.645 -0.087 -9.211 1.00 0.00 C ATOM 305 C PRO A 23 14.338 -1.445 -9.199 1.00 0.00 C ATOM 306 O PRO A 23 13.916 -2.375 -9.888 1.00 0.00 O ATOM 307 CB PRO A 23 13.910 0.637 -10.533 1.00 0.00 C ATOM 308 CG PRO A 23 15.079 1.517 -10.256 1.00 0.00 C ATOM 309 CD PRO A 23 14.951 1.935 -8.817 1.00 0.00 C ATOM 0 HA PRO A 23 12.592 -0.304 -9.031 1.00 0.00 H new ATOM 0 HB2 PRO A 23 14.127 -0.069 -11.334 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.043 1.218 -10.847 1.00 0.00 H new ATOM 0 HG2 PRO A 23 16.016 0.987 -10.426 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.079 2.385 -10.916 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.926 2.062 -8.347 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.424 2.884 -8.720 1.00 0.00 H new ATOM 317 N LEU A 24 15.402 -1.554 -8.411 1.00 0.00 N ATOM 318 CA LEU A 24 16.154 -2.800 -8.309 1.00 0.00 C ATOM 319 C LEU A 24 15.741 -3.585 -7.068 1.00 0.00 C ATOM 320 O LEU A 24 15.722 -4.815 -7.077 1.00 0.00 O ATOM 321 CB LEU A 24 17.655 -2.511 -8.267 1.00 0.00 C ATOM 322 CG LEU A 24 18.189 -1.575 -9.352 1.00 0.00 C ATOM 323 CD1 LEU A 24 19.557 -1.036 -8.966 1.00 0.00 C ATOM 324 CD2 LEU A 24 18.256 -2.295 -10.691 1.00 0.00 C ATOM 0 H LEU A 24 15.763 -0.795 -7.833 1.00 0.00 H new ATOM 0 HA LEU A 24 15.931 -3.403 -9.189 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.895 -2.081 -7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.189 -3.458 -8.337 1.00 0.00 H new ATOM 0 HG LEU A 24 17.504 -0.733 -9.448 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.921 -0.372 -9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.479 -0.484 -8.030 1.00 0.00 H new ATOM 0 HD13 LEU A 24 20.253 -1.866 -8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.638 -1.614 -11.452 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.919 -3.156 -10.608 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.258 -2.631 -10.973 1.00 0.00 H new ATOM 336 N ALA A 25 15.408 -2.864 -6.002 1.00 0.00 N ATOM 337 CA ALA A 25 14.991 -3.492 -4.754 1.00 0.00 C ATOM 338 C ALA A 25 14.019 -4.638 -5.015 1.00 0.00 C ATOM 339 O ALA A 25 13.322 -4.674 -6.029 1.00 0.00 O ATOM 340 CB ALA A 25 14.360 -2.462 -3.830 1.00 0.00 C ATOM 0 H ALA A 25 15.419 -1.844 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 25 15.876 -3.904 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.053 -2.945 -2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.085 -1.679 -3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.489 -2.023 -4.316 1.00 0.00 H new ATOM 346 N PRO A 26 13.970 -5.597 -4.079 1.00 0.00 N ATOM 347 CA PRO A 26 13.086 -6.762 -4.186 1.00 0.00 C ATOM 348 C PRO A 26 11.616 -6.392 -4.024 1.00 0.00 C ATOM 349 O PRO A 26 11.280 -5.428 -3.335 1.00 0.00 O ATOM 350 CB PRO A 26 13.542 -7.660 -3.033 1.00 0.00 C ATOM 351 CG PRO A 26 14.147 -6.726 -2.042 1.00 0.00 C ATOM 352 CD PRO A 26 14.772 -5.619 -2.845 1.00 0.00 C ATOM 0 HA PRO A 26 13.153 -7.235 -5.166 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.703 -8.206 -2.601 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.266 -8.402 -3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.390 -6.335 -1.361 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.893 -7.234 -1.431 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.726 -4.666 -2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.823 -5.818 -3.053 1.00 0.00 H new ATOM 360 N LYS A 27 10.742 -7.164 -4.661 1.00 0.00 N ATOM 361 CA LYS A 27 9.307 -6.919 -4.586 1.00 0.00 C ATOM 362 C LYS A 27 8.744 -7.385 -3.247 1.00 0.00 C ATOM 363 O LYS A 27 9.168 -8.407 -2.708 1.00 0.00 O ATOM 364 CB LYS A 27 8.586 -7.633 -5.731 1.00 0.00 C ATOM 365 CG LYS A 27 7.120 -7.259 -5.855 1.00 0.00 C ATOM 366 CD LYS A 27 6.525 -7.755 -7.162 1.00 0.00 C ATOM 367 CE LYS A 27 6.035 -9.190 -7.042 1.00 0.00 C ATOM 368 NZ LYS A 27 5.981 -9.870 -8.366 1.00 0.00 N ATOM 0 H LYS A 27 11.003 -7.965 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 27 9.142 -5.845 -4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.092 -7.401 -6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.666 -8.710 -5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.564 -7.681 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.014 -6.176 -5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.696 -7.110 -7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.273 -7.690 -7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.695 -9.745 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.044 -9.199 -6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.642 -10.845 -8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.331 -9.355 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.932 -9.885 -8.788 1.00 0.00 H new ATOM 382 N SER A 28 7.787 -6.631 -2.717 1.00 0.00 N ATOM 383 CA SER A 28 7.168 -6.966 -1.440 1.00 0.00 C ATOM 384 C SER A 28 5.672 -7.214 -1.610 1.00 0.00 C ATOM 385 O SER A 28 4.953 -6.381 -2.163 1.00 0.00 O ATOM 386 CB SER A 28 7.398 -5.843 -0.427 1.00 0.00 C ATOM 387 OG SER A 28 8.749 -5.812 0.001 1.00 0.00 O ATOM 0 H SER A 28 7.423 -5.783 -3.152 1.00 0.00 H new ATOM 0 HA SER A 28 7.631 -7.881 -1.069 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.133 -4.885 -0.875 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.744 -5.985 0.433 1.00 0.00 H new ATOM 0 HG SER A 28 8.871 -5.085 0.647 1.00 0.00 H new ATOM 393 N ILE A 29 5.212 -8.365 -1.132 1.00 0.00 N ATOM 394 CA ILE A 29 3.802 -8.723 -1.229 1.00 0.00 C ATOM 395 C ILE A 29 3.045 -8.325 0.034 1.00 0.00 C ATOM 396 O ILE A 29 3.448 -8.669 1.146 1.00 0.00 O ATOM 397 CB ILE A 29 3.620 -10.233 -1.469 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.318 -10.654 -2.764 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.141 -10.587 -1.519 1.00 0.00 C ATOM 400 CD1 ILE A 29 3.898 -9.841 -3.968 1.00 0.00 C ATOM 0 H ILE A 29 5.795 -9.066 -0.674 1.00 0.00 H new ATOM 0 HA ILE A 29 3.396 -8.177 -2.080 1.00 0.00 H new ATOM 0 HB ILE A 29 4.076 -10.775 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.396 -10.563 -2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.108 -11.706 -2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.029 -11.658 -1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.670 -10.319 -0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.663 -10.038 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.432 -10.194 -4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.825 -9.952 -4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.133 -8.790 -3.798 1.00 0.00 H new ATOM 412 N LEU A 30 1.946 -7.601 -0.146 1.00 0.00 N ATOM 413 CA LEU A 30 1.130 -7.157 0.980 1.00 0.00 C ATOM 414 C LEU A 30 -0.204 -7.896 1.009 1.00 0.00 C ATOM 415 O LEU A 30 -0.769 -8.218 -0.036 1.00 0.00 O ATOM 416 CB LEU A 30 0.890 -5.649 0.897 1.00 0.00 C ATOM 417 CG LEU A 30 0.564 -4.948 2.217 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.821 -4.779 3.056 1.00 0.00 C ATOM 419 CD2 LEU A 30 -0.092 -3.600 1.957 1.00 0.00 C ATOM 0 H LEU A 30 1.599 -7.309 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 30 1.669 -7.382 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.778 -5.183 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.071 -5.469 0.201 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.138 -5.570 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.570 -4.279 3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.249 -5.758 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.547 -4.179 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.317 -3.116 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.586 -2.971 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.016 -3.747 1.397 1.00 0.00 H new ATOM 431 N GLN A 31 -0.702 -8.159 2.213 1.00 0.00 N ATOM 432 CA GLN A 31 -1.972 -8.858 2.377 1.00 0.00 C ATOM 433 C GLN A 31 -2.849 -8.156 3.408 1.00 0.00 C ATOM 434 O GLN A 31 -2.531 -8.134 4.598 1.00 0.00 O ATOM 435 CB GLN A 31 -1.728 -10.308 2.799 1.00 0.00 C ATOM 436 CG GLN A 31 -0.916 -11.106 1.792 1.00 0.00 C ATOM 437 CD GLN A 31 -0.415 -12.421 2.357 1.00 0.00 C ATOM 438 OE1 GLN A 31 -1.122 -13.429 2.336 1.00 0.00 O ATOM 439 NE2 GLN A 31 0.811 -12.417 2.868 1.00 0.00 N ATOM 0 H GLN A 31 -0.247 -7.899 3.088 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.491 -8.848 1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.211 -10.316 3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.689 -10.800 2.950 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.528 -11.303 0.912 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.066 -10.509 1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.362 -11.559 2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.201 -13.272 3.264 1.00 0.00 H new ATOM 448 N LEU A 32 -3.956 -7.585 2.945 1.00 0.00 N ATOM 449 CA LEU A 32 -4.881 -6.882 3.828 1.00 0.00 C ATOM 450 C LEU A 32 -5.488 -7.836 4.851 1.00 0.00 C ATOM 451 O LEU A 32 -5.584 -9.043 4.631 1.00 0.00 O ATOM 452 CB LEU A 32 -5.990 -6.217 3.011 1.00 0.00 C ATOM 453 CG LEU A 32 -6.684 -7.104 1.976 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.916 -7.762 2.578 1.00 0.00 C ATOM 455 CD2 LEU A 32 -7.059 -6.292 0.744 1.00 0.00 C ATOM 0 H LEU A 32 -4.235 -7.595 1.964 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.322 -6.114 4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.745 -5.838 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.567 -5.354 2.496 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.990 -7.888 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.397 -8.389 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.621 -8.376 3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.614 -6.993 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.552 -6.939 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.736 -5.487 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.158 -5.868 0.300 1.00 0.00 H new ATOM 467 N PRO A 33 -5.912 -7.283 5.997 1.00 0.00 N ATOM 468 CA PRO A 33 -6.521 -8.066 7.076 1.00 0.00 C ATOM 469 C PRO A 33 -7.904 -8.590 6.703 1.00 0.00 C ATOM 470 O PRO A 33 -8.359 -8.415 5.573 1.00 0.00 O ATOM 471 CB PRO A 33 -6.622 -7.064 8.229 1.00 0.00 C ATOM 472 CG PRO A 33 -6.673 -5.730 7.567 1.00 0.00 C ATOM 473 CD PRO A 33 -5.830 -5.850 6.327 1.00 0.00 C ATOM 0 HA PRO A 33 -5.936 -8.954 7.315 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.513 -7.242 8.831 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.765 -7.142 8.898 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.698 -5.458 7.317 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.288 -4.952 8.227 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.214 -5.229 5.518 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.802 -5.537 6.508 1.00 0.00 H new ATOM 598 N LEU A 42 -14.047 -6.874 -2.652 1.00 0.00 N ATOM 599 CA LEU A 42 -13.779 -5.962 -1.546 1.00 0.00 C ATOM 600 C LEU A 42 -14.602 -4.685 -1.681 1.00 0.00 C ATOM 601 O LEU A 42 -15.434 -4.377 -0.829 1.00 0.00 O ATOM 602 CB LEU A 42 -12.290 -5.619 -1.491 1.00 0.00 C ATOM 603 CG LEU A 42 -11.326 -6.763 -1.810 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.927 -6.438 -1.308 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.823 -8.066 -1.201 1.00 0.00 C ATOM 0 HA LEU A 42 -14.065 -6.460 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.099 -4.804 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.060 -5.244 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.283 -6.884 -2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.255 -7.263 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.569 -5.529 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.953 -6.289 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.124 -8.868 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.896 -7.957 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.805 -8.307 -1.609 1.00 0.00 H new ATOM 617 N GLY A 43 -14.365 -3.946 -2.761 1.00 0.00 N ATOM 618 CA GLY A 43 -15.093 -2.712 -2.989 1.00 0.00 C ATOM 619 C GLY A 43 -15.451 -2.002 -1.699 1.00 0.00 C ATOM 620 O GLY A 43 -16.596 -2.054 -1.250 1.00 0.00 O ATOM 0 H GLY A 43 -13.682 -4.180 -3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.491 -2.048 -3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.005 -2.929 -3.545 1.00 0.00 H new ATOM 624 N GLY A 44 -14.469 -1.337 -1.098 1.00 0.00 N ATOM 625 CA GLY A 44 -14.706 -0.625 0.144 1.00 0.00 C ATOM 626 C GLY A 44 -13.422 -0.138 0.787 1.00 0.00 C ATOM 627 O GLY A 44 -13.408 0.899 1.452 1.00 0.00 O ATOM 0 H GLY A 44 -13.513 -1.279 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.359 0.227 -0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.232 -1.279 0.840 1.00 0.00 H new ATOM 631 N TYR A 45 -12.343 -0.886 0.590 1.00 0.00 N ATOM 632 CA TYR A 45 -11.049 -0.526 1.159 1.00 0.00 C ATOM 633 C TYR A 45 -10.580 0.826 0.632 1.00 0.00 C ATOM 634 O TYR A 45 -10.444 1.021 -0.575 1.00 0.00 O ATOM 635 CB TYR A 45 -10.010 -1.601 0.836 1.00 0.00 C ATOM 636 CG TYR A 45 -9.939 -2.705 1.867 1.00 0.00 C ATOM 637 CD1 TYR A 45 -9.430 -2.464 3.137 1.00 0.00 C ATOM 638 CD2 TYR A 45 -10.381 -3.988 1.571 1.00 0.00 C ATOM 639 CE1 TYR A 45 -9.363 -3.469 4.083 1.00 0.00 C ATOM 640 CE2 TYR A 45 -10.319 -4.999 2.510 1.00 0.00 C ATOM 641 CZ TYR A 45 -9.809 -4.735 3.764 1.00 0.00 C ATOM 642 OH TYR A 45 -9.744 -5.740 4.702 1.00 0.00 O ATOM 0 H TYR A 45 -12.338 -1.745 0.041 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.163 -0.454 2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.241 -2.037 -0.136 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.030 -1.132 0.750 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.081 -1.474 3.389 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.780 -4.199 0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.964 -3.265 5.066 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.668 -5.991 2.264 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.304 -6.491 4.416 1.00 0.00 H new ATOM 652 N SER A 46 -10.333 1.757 1.548 1.00 0.00 N ATOM 653 CA SER A 46 -9.881 3.093 1.178 1.00 0.00 C ATOM 654 C SER A 46 -8.374 3.110 0.937 1.00 0.00 C ATOM 655 O SER A 46 -7.604 2.547 1.716 1.00 0.00 O ATOM 656 CB SER A 46 -10.245 4.099 2.271 1.00 0.00 C ATOM 657 OG SER A 46 -10.097 3.528 3.560 1.00 0.00 O ATOM 0 H SER A 46 -10.438 1.611 2.552 1.00 0.00 H new ATOM 0 HA SER A 46 -10.383 3.375 0.252 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.609 4.980 2.185 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.273 4.433 2.134 1.00 0.00 H new ATOM 0 HG SER A 46 -10.334 4.192 4.241 1.00 0.00 H new ATOM 663 N ILE A 47 -7.962 3.759 -0.146 1.00 0.00 N ATOM 664 CA ILE A 47 -6.548 3.851 -0.490 1.00 0.00 C ATOM 665 C ILE A 47 -5.706 4.187 0.736 1.00 0.00 C ATOM 666 O ILE A 47 -4.670 3.568 0.979 1.00 0.00 O ATOM 667 CB ILE A 47 -6.301 4.914 -1.576 1.00 0.00 C ATOM 668 CG1 ILE A 47 -7.090 4.573 -2.842 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.815 5.020 -1.884 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.693 3.253 -3.465 1.00 0.00 C ATOM 0 H ILE A 47 -8.587 4.229 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.252 2.875 -0.875 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.645 5.879 -1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.153 4.547 -2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.948 5.368 -3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.656 5.775 -2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.275 5.303 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.447 4.057 -2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.293 3.077 -4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.638 3.282 -3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.861 2.448 -2.750 1.00 0.00 H new ATOM 682 N SER A 48 -6.158 5.171 1.507 1.00 0.00 N ATOM 683 CA SER A 48 -5.445 5.592 2.707 1.00 0.00 C ATOM 684 C SER A 48 -4.969 4.383 3.507 1.00 0.00 C ATOM 685 O SER A 48 -3.851 4.367 4.024 1.00 0.00 O ATOM 686 CB SER A 48 -6.343 6.472 3.577 1.00 0.00 C ATOM 687 OG SER A 48 -5.578 7.411 4.314 1.00 0.00 O ATOM 0 H SER A 48 -7.015 5.692 1.322 1.00 0.00 H new ATOM 0 HA SER A 48 -4.573 6.169 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.062 6.997 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.916 5.847 4.262 1.00 0.00 H new ATOM 0 HG SER A 48 -6.176 7.963 4.861 1.00 0.00 H new ATOM 693 N PHE A 49 -5.825 3.372 3.606 1.00 0.00 N ATOM 694 CA PHE A 49 -5.494 2.159 4.344 1.00 0.00 C ATOM 695 C PHE A 49 -4.148 1.599 3.894 1.00 0.00 C ATOM 696 O PHE A 49 -3.210 1.493 4.686 1.00 0.00 O ATOM 697 CB PHE A 49 -6.587 1.105 4.152 1.00 0.00 C ATOM 698 CG PHE A 49 -6.345 -0.158 4.928 1.00 0.00 C ATOM 699 CD1 PHE A 49 -5.997 -0.107 6.269 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.465 -1.396 4.318 1.00 0.00 C ATOM 701 CE1 PHE A 49 -5.773 -1.268 6.985 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.243 -2.560 5.029 1.00 0.00 C ATOM 703 CZ PHE A 49 -5.898 -2.496 6.364 1.00 0.00 C ATOM 0 H PHE A 49 -6.754 3.369 3.184 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.427 2.414 5.402 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.546 1.528 4.452 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.664 0.862 3.092 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.900 0.850 6.760 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.735 -1.452 3.274 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.501 -1.215 8.029 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.339 -3.519 4.541 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.726 -3.404 6.922 1.00 0.00 H new ATOM 713 N LEU A 50 -4.059 1.242 2.618 1.00 0.00 N ATOM 714 CA LEU A 50 -2.828 0.692 2.061 1.00 0.00 C ATOM 715 C LEU A 50 -1.633 1.576 2.402 1.00 0.00 C ATOM 716 O LEU A 50 -0.630 1.104 2.937 1.00 0.00 O ATOM 717 CB LEU A 50 -2.952 0.547 0.543 1.00 0.00 C ATOM 718 CG LEU A 50 -3.580 -0.754 0.042 1.00 0.00 C ATOM 719 CD1 LEU A 50 -3.900 -0.657 -1.441 1.00 0.00 C ATOM 720 CD2 LEU A 50 -2.656 -1.932 0.314 1.00 0.00 C ATOM 0 H LEU A 50 -4.825 1.323 1.949 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.667 -0.292 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.543 1.381 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.957 0.638 0.107 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.512 -0.916 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.346 -1.592 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.601 0.161 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.983 -0.470 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.119 -2.849 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.707 -1.777 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.478 -2.015 1.386 1.00 0.00 H new ATOM 732 N LYS A 51 -1.748 2.863 2.092 1.00 0.00 N ATOM 733 CA LYS A 51 -0.680 3.816 2.369 1.00 0.00 C ATOM 734 C LYS A 51 -0.106 3.599 3.765 1.00 0.00 C ATOM 735 O LYS A 51 1.028 3.987 4.047 1.00 0.00 O ATOM 736 CB LYS A 51 -1.199 5.249 2.236 1.00 0.00 C ATOM 737 CG LYS A 51 -1.058 5.820 0.835 1.00 0.00 C ATOM 738 CD LYS A 51 -2.154 6.828 0.531 1.00 0.00 C ATOM 739 CE LYS A 51 -1.799 7.691 -0.670 1.00 0.00 C ATOM 740 NZ LYS A 51 -1.063 8.922 -0.270 1.00 0.00 N ATOM 0 H LYS A 51 -2.571 3.270 1.648 1.00 0.00 H new ATOM 0 HA LYS A 51 0.114 3.655 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.250 5.274 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.660 5.888 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.084 6.298 0.732 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.094 5.011 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.090 6.303 0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.317 7.463 1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.190 7.113 -1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.710 7.969 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.649 9.369 -1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.720 9.586 0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.305 8.672 0.397 1.00 0.00 H new ATOM 754 N GLN A 52 -0.895 2.977 4.635 1.00 0.00 N ATOM 755 CA GLN A 52 -0.464 2.708 6.001 1.00 0.00 C ATOM 756 C GLN A 52 0.257 1.367 6.091 1.00 0.00 C ATOM 757 O GLN A 52 1.378 1.286 6.595 1.00 0.00 O ATOM 758 CB GLN A 52 -1.665 2.720 6.949 1.00 0.00 C ATOM 759 CG GLN A 52 -2.467 4.010 6.898 1.00 0.00 C ATOM 760 CD GLN A 52 -3.172 4.311 8.207 1.00 0.00 C ATOM 761 OE1 GLN A 52 -3.166 3.496 9.130 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.783 5.487 8.294 1.00 0.00 N ATOM 0 H GLN A 52 -1.836 2.650 4.418 1.00 0.00 H new ATOM 0 HA GLN A 52 0.231 3.494 6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.320 1.885 6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.314 2.560 7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.802 4.837 6.649 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.205 3.943 6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.763 6.132 7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.273 5.745 9.151 1.00 0.00 H new ATOM 771 N LEU A 53 -0.393 0.318 5.601 1.00 0.00 N ATOM 772 CA LEU A 53 0.186 -1.021 5.626 1.00 0.00 C ATOM 773 C LEU A 53 1.532 -1.046 4.909 1.00 0.00 C ATOM 774 O LEU A 53 2.478 -1.689 5.366 1.00 0.00 O ATOM 775 CB LEU A 53 -0.770 -2.023 4.976 1.00 0.00 C ATOM 776 CG LEU A 53 -2.047 -2.336 5.757 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.162 -1.381 5.361 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.472 -3.779 5.527 1.00 0.00 C ATOM 0 H LEU A 53 -1.321 0.368 5.181 1.00 0.00 H new ATOM 0 HA LEU A 53 0.345 -1.302 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.052 -1.641 3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.230 -2.956 4.812 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.843 -2.203 6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.063 -1.619 5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.858 -0.357 5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.366 -1.482 4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.382 -3.984 6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.659 -3.938 4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.680 -4.449 5.861 1.00 0.00 H new ATOM 790 N ILE A 54 1.611 -0.341 3.786 1.00 0.00 N ATOM 791 CA ILE A 54 2.842 -0.279 3.008 1.00 0.00 C ATOM 792 C ILE A 54 3.953 0.413 3.791 1.00 0.00 C ATOM 793 O ILE A 54 5.032 -0.146 3.984 1.00 0.00 O ATOM 794 CB ILE A 54 2.630 0.462 1.675 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.695 -0.337 0.765 1.00 0.00 C ATOM 796 CG2 ILE A 54 3.964 0.708 0.987 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.841 0.529 -0.134 1.00 0.00 C ATOM 0 H ILE A 54 0.837 0.196 3.394 1.00 0.00 H new ATOM 0 HA ILE A 54 3.135 -1.308 2.799 1.00 0.00 H new ATOM 0 HB ILE A 54 2.167 1.427 1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.290 -1.011 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.045 -0.959 1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.797 1.233 0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.600 1.314 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.452 -0.246 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.203 -0.104 -0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.220 1.185 0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.484 1.132 -0.776 1.00 0.00 H new ATOM 809 N ALA A 55 3.680 1.633 4.241 1.00 0.00 N ATOM 810 CA ALA A 55 4.654 2.401 5.007 1.00 0.00 C ATOM 811 C ALA A 55 5.154 1.609 6.210 1.00 0.00 C ATOM 812 O ALA A 55 6.282 1.797 6.664 1.00 0.00 O ATOM 813 CB ALA A 55 4.049 3.722 5.457 1.00 0.00 C ATOM 0 H ALA A 55 2.792 2.111 4.088 1.00 0.00 H new ATOM 0 HA ALA A 55 5.507 2.607 4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.788 4.285 6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.748 4.300 4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.177 3.529 6.082 1.00 0.00 H new ATOM 819 N GLY A 56 4.306 0.722 6.723 1.00 0.00 N ATOM 820 CA GLY A 56 4.681 -0.084 7.870 1.00 0.00 C ATOM 821 C GLY A 56 5.549 -1.267 7.488 1.00 0.00 C ATOM 822 O GLY A 56 6.325 -1.766 8.304 1.00 0.00 O ATOM 0 H GLY A 56 3.367 0.548 6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.215 0.538 8.588 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.780 -0.444 8.368 1.00 0.00 H new ATOM 826 N LYS A 57 5.419 -1.718 6.245 1.00 0.00 N ATOM 827 CA LYS A 57 6.197 -2.850 5.756 1.00 0.00 C ATOM 828 C LYS A 57 7.534 -2.386 5.187 1.00 0.00 C ATOM 829 O LYS A 57 8.558 -3.048 5.361 1.00 0.00 O ATOM 830 CB LYS A 57 5.411 -3.610 4.685 1.00 0.00 C ATOM 831 CG LYS A 57 4.429 -4.620 5.254 1.00 0.00 C ATOM 832 CD LYS A 57 5.143 -5.843 5.805 1.00 0.00 C ATOM 833 CE LYS A 57 5.330 -6.908 4.736 1.00 0.00 C ATOM 834 NZ LYS A 57 6.160 -8.044 5.225 1.00 0.00 N ATOM 0 H LYS A 57 4.782 -1.316 5.557 1.00 0.00 H new ATOM 0 HA LYS A 57 6.392 -3.516 6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.867 -2.894 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.112 -4.127 4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.843 -4.153 6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.729 -4.926 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.115 -5.550 6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.571 -6.256 6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.356 -7.280 4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.802 -6.464 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.264 -8.749 4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.099 -7.693 5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.697 -8.484 6.046 1.00 0.00 H new ATOM 848 N LEU A 58 7.518 -1.244 4.509 1.00 0.00 N ATOM 849 CA LEU A 58 8.730 -0.690 3.915 1.00 0.00 C ATOM 850 C LEU A 58 9.380 0.325 4.851 1.00 0.00 C ATOM 851 O LEU A 58 10.112 1.210 4.409 1.00 0.00 O ATOM 852 CB LEU A 58 8.409 -0.030 2.573 1.00 0.00 C ATOM 853 CG LEU A 58 7.525 -0.838 1.623 1.00 0.00 C ATOM 854 CD1 LEU A 58 7.421 -0.146 0.272 1.00 0.00 C ATOM 855 CD2 LEU A 58 8.068 -2.250 1.460 1.00 0.00 C ATOM 0 H LEU A 58 6.680 -0.683 4.357 1.00 0.00 H new ATOM 0 HA LEU A 58 9.431 -1.508 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.921 0.925 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.348 0.190 2.065 1.00 0.00 H new ATOM 0 HG LEU A 58 6.526 -0.902 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.788 -0.736 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.986 0.845 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.415 -0.051 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.426 -2.810 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.078 -2.207 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.090 -2.746 2.430 1.00 0.00 H new ATOM 867 N GLN A 59 9.108 0.188 6.145 1.00 0.00 N ATOM 868 CA GLN A 59 9.668 1.092 7.142 1.00 0.00 C ATOM 869 C GLN A 59 11.176 1.233 6.964 1.00 0.00 C ATOM 870 O GLN A 59 11.784 2.177 7.469 1.00 0.00 O ATOM 871 CB GLN A 59 9.354 0.587 8.552 1.00 0.00 C ATOM 872 CG GLN A 59 7.942 0.910 9.014 1.00 0.00 C ATOM 873 CD GLN A 59 7.574 0.203 10.303 1.00 0.00 C ATOM 874 OE1 GLN A 59 7.711 -1.118 10.314 1.00 0.00 O flip ATOM 875 NE2 GLN A 59 7.170 0.836 11.279 1.00 0.00 N flip ATOM 0 H GLN A 59 8.504 -0.540 6.527 1.00 0.00 H new ATOM 0 HA GLN A 59 9.211 2.072 7.004 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.499 -0.493 8.583 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.065 1.024 9.252 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.847 1.987 9.155 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.235 0.627 8.234 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.080 1.851 11.227 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.926 0.346 12.139 1.00 0.00 H new ATOM 884 N GLU A 60 11.773 0.289 6.243 1.00 0.00 N ATOM 885 CA GLU A 60 13.210 0.309 6.000 1.00 0.00 C ATOM 886 C GLU A 60 13.605 1.529 5.173 1.00 0.00 C ATOM 887 O GLU A 60 14.685 2.092 5.354 1.00 0.00 O ATOM 888 CB GLU A 60 13.646 -0.970 5.282 1.00 0.00 C ATOM 889 CG GLU A 60 12.886 -1.234 3.993 1.00 0.00 C ATOM 890 CD GLU A 60 13.531 -0.574 2.790 1.00 0.00 C ATOM 891 OE1 GLU A 60 14.711 -0.178 2.893 1.00 0.00 O ATOM 892 OE2 GLU A 60 12.857 -0.453 1.746 1.00 0.00 O ATOM 0 H GLU A 60 11.284 -0.498 5.817 1.00 0.00 H new ATOM 0 HA GLU A 60 13.715 0.366 6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.711 -0.906 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.511 -1.818 5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.827 -2.309 3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.864 -0.871 4.097 1.00 0.00 H new ATOM 899 N SER A 61 12.723 1.931 4.263 1.00 0.00 N ATOM 900 CA SER A 61 12.980 3.081 3.405 1.00 0.00 C ATOM 901 C SER A 61 11.951 4.182 3.648 1.00 0.00 C ATOM 902 O SER A 61 12.297 5.359 3.752 1.00 0.00 O ATOM 903 CB SER A 61 12.957 2.662 1.934 1.00 0.00 C ATOM 904 OG SER A 61 14.184 2.063 1.555 1.00 0.00 O ATOM 0 H SER A 61 11.824 1.477 4.101 1.00 0.00 H new ATOM 0 HA SER A 61 13.968 3.471 3.649 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.139 1.961 1.765 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.765 3.533 1.307 1.00 0.00 H new ATOM 0 HG SER A 61 14.516 1.505 2.289 1.00 0.00 H new ATOM 910 N VAL A 62 10.684 3.789 3.736 1.00 0.00 N ATOM 911 CA VAL A 62 9.604 4.741 3.968 1.00 0.00 C ATOM 912 C VAL A 62 9.549 5.164 5.431 1.00 0.00 C ATOM 913 O VAL A 62 9.333 4.352 6.331 1.00 0.00 O ATOM 914 CB VAL A 62 8.240 4.150 3.564 1.00 0.00 C ATOM 915 CG1 VAL A 62 7.119 5.125 3.888 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.233 3.788 2.087 1.00 0.00 C ATOM 0 H VAL A 62 10.381 2.819 3.650 1.00 0.00 H new ATOM 0 HA VAL A 62 9.812 5.614 3.349 1.00 0.00 H new ATOM 0 HB VAL A 62 8.074 3.239 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.163 4.690 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.113 5.329 4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.277 6.055 3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.262 3.372 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.421 4.682 1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.011 3.050 1.890 1.00 0.00 H new ATOM 926 N PRO A 63 9.748 6.467 5.678 1.00 0.00 N ATOM 927 CA PRO A 63 9.725 7.030 7.032 1.00 0.00 C ATOM 928 C PRO A 63 8.325 7.029 7.636 1.00 0.00 C ATOM 929 O PRO A 63 8.121 6.555 8.753 1.00 0.00 O ATOM 930 CB PRO A 63 10.219 8.464 6.828 1.00 0.00 C ATOM 931 CG PRO A 63 9.882 8.784 5.413 1.00 0.00 C ATOM 932 CD PRO A 63 10.011 7.493 4.654 1.00 0.00 C ATOM 0 HA PRO A 63 10.334 6.450 7.725 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.730 9.153 7.517 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.291 8.542 7.007 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.871 9.184 5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.557 9.541 5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.295 7.435 3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.004 7.381 4.218 1.00 0.00 H new ATOM 940 N ASP A 64 7.364 7.562 6.889 1.00 0.00 N ATOM 941 CA ASP A 64 5.982 7.621 7.351 1.00 0.00 C ATOM 942 C ASP A 64 5.013 7.565 6.174 1.00 0.00 C ATOM 943 O ASP A 64 5.344 7.936 5.048 1.00 0.00 O ATOM 944 CB ASP A 64 5.747 8.897 8.161 1.00 0.00 C ATOM 945 CG ASP A 64 6.012 8.701 9.641 1.00 0.00 C ATOM 946 OD1 ASP A 64 5.782 7.580 10.140 1.00 0.00 O ATOM 947 OD2 ASP A 64 6.448 9.668 10.299 1.00 0.00 O ATOM 0 H ASP A 64 7.516 7.959 5.962 1.00 0.00 H new ATOM 0 HA ASP A 64 5.801 6.756 7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.393 9.689 7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.718 9.229 8.020 1.00 0.00 H new ATOM 952 N PRO A 65 3.787 7.090 6.439 1.00 0.00 N ATOM 953 CA PRO A 65 2.745 6.974 5.414 1.00 0.00 C ATOM 954 C PRO A 65 2.226 8.333 4.958 1.00 0.00 C ATOM 955 O PRO A 65 1.654 8.457 3.875 1.00 0.00 O ATOM 956 CB PRO A 65 1.637 6.189 6.122 1.00 0.00 C ATOM 957 CG PRO A 65 1.839 6.472 7.571 1.00 0.00 C ATOM 958 CD PRO A 65 3.323 6.631 7.759 1.00 0.00 C ATOM 0 HA PRO A 65 3.116 6.493 4.509 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.650 6.510 5.790 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.712 5.122 5.913 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.309 7.376 7.870 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.453 5.658 8.185 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.554 7.355 8.540 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.795 5.691 8.046 1.00 0.00 H new ATOM 966 N GLU A 66 2.431 9.350 5.790 1.00 0.00 N ATOM 967 CA GLU A 66 1.983 10.700 5.470 1.00 0.00 C ATOM 968 C GLU A 66 3.018 11.429 4.617 1.00 0.00 C ATOM 969 O GLU A 66 2.678 12.312 3.829 1.00 0.00 O ATOM 970 CB GLU A 66 1.716 11.490 6.753 1.00 0.00 C ATOM 971 CG GLU A 66 0.767 10.791 7.711 1.00 0.00 C ATOM 972 CD GLU A 66 -0.023 11.765 8.564 1.00 0.00 C ATOM 973 OE1 GLU A 66 -0.787 12.570 7.991 1.00 0.00 O ATOM 974 OE2 GLU A 66 0.123 11.723 9.803 1.00 0.00 O ATOM 0 H GLU A 66 2.904 9.264 6.690 1.00 0.00 H new ATOM 0 HA GLU A 66 1.057 10.622 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.663 11.672 7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.302 12.464 6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.076 10.168 7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.336 10.125 8.359 1.00 0.00 H new ATOM 981 N LEU A 67 4.281 11.052 4.780 1.00 0.00 N ATOM 982 CA LEU A 67 5.367 11.669 4.026 1.00 0.00 C ATOM 983 C LEU A 67 5.638 10.902 2.735 1.00 0.00 C ATOM 984 O LEU A 67 6.719 11.008 2.155 1.00 0.00 O ATOM 985 CB LEU A 67 6.637 11.725 4.876 1.00 0.00 C ATOM 986 CG LEU A 67 6.463 12.221 6.312 1.00 0.00 C ATOM 987 CD1 LEU A 67 7.762 12.075 7.089 1.00 0.00 C ATOM 988 CD2 LEU A 67 5.992 13.668 6.323 1.00 0.00 C ATOM 0 H LEU A 67 4.579 10.322 5.427 1.00 0.00 H new ATOM 0 HA LEU A 67 5.066 12.684 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.073 10.726 4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.357 12.371 4.375 1.00 0.00 H new ATOM 0 HG LEU A 67 5.703 11.609 6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.618 12.433 8.108 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.057 11.026 7.111 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.543 12.661 6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.874 14.004 7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.728 14.294 5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.036 13.743 5.805 1.00 0.00 H new ATOM 1000 N ILE A 68 4.650 10.133 2.291 1.00 0.00 N ATOM 1001 CA ILE A 68 4.781 9.352 1.068 1.00 0.00 C ATOM 1002 C ILE A 68 3.470 9.323 0.291 1.00 0.00 C ATOM 1003 O ILE A 68 2.422 9.714 0.806 1.00 0.00 O ATOM 1004 CB ILE A 68 5.219 7.906 1.368 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.321 7.291 2.443 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.676 7.874 1.805 1.00 0.00 C ATOM 1007 CD1 ILE A 68 3.093 6.606 1.885 1.00 0.00 C ATOM 0 H ILE A 68 3.750 10.034 2.760 1.00 0.00 H new ATOM 0 HA ILE A 68 5.548 9.838 0.464 1.00 0.00 H new ATOM 0 HB ILE A 68 5.120 7.315 0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.900 6.569 3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.008 8.073 3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.971 6.846 2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.303 8.277 1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.799 8.476 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.503 6.193 2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.492 7.329 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.398 5.801 1.216 1.00 0.00 H new ATOM 1019 N ASP A 69 3.535 8.856 -0.951 1.00 0.00 N ATOM 1020 CA ASP A 69 2.352 8.773 -1.800 1.00 0.00 C ATOM 1021 C ASP A 69 2.260 7.407 -2.472 1.00 0.00 C ATOM 1022 O ASP A 69 3.248 6.676 -2.553 1.00 0.00 O ATOM 1023 CB ASP A 69 2.379 9.876 -2.859 1.00 0.00 C ATOM 1024 CG ASP A 69 1.779 11.175 -2.358 1.00 0.00 C ATOM 1025 OD1 ASP A 69 0.739 11.121 -1.669 1.00 0.00 O ATOM 1026 OD2 ASP A 69 2.348 12.246 -2.657 1.00 0.00 O ATOM 0 H ASP A 69 4.394 8.529 -1.392 1.00 0.00 H new ATOM 0 HA ASP A 69 1.473 8.907 -1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.409 10.051 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.832 9.543 -3.741 1.00 0.00 H new ATOM 1031 N LEU A 70 1.069 7.068 -2.952 1.00 0.00 N ATOM 1032 CA LEU A 70 0.847 5.788 -3.617 1.00 0.00 C ATOM 1033 C LEU A 70 0.530 5.990 -5.095 1.00 0.00 C ATOM 1034 O LEU A 70 -0.386 6.734 -5.447 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.294 5.029 -2.938 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.452 3.560 -3.332 1.00 0.00 C ATOM 1037 CD1 LEU A 70 0.828 2.791 -3.046 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.628 2.934 -2.598 1.00 0.00 C ATOM 0 H LEU A 70 0.241 7.661 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 70 1.763 5.202 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.147 5.081 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.228 5.546 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.650 3.510 -4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.697 1.747 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.648 3.224 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.057 2.849 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.725 1.889 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.460 2.995 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.543 3.469 -2.854 1.00 0.00 H new ATOM 1050 N ILE A 71 1.291 5.322 -5.955 1.00 0.00 N ATOM 1051 CA ILE A 71 1.089 5.426 -7.394 1.00 0.00 C ATOM 1052 C ILE A 71 0.638 4.094 -7.984 1.00 0.00 C ATOM 1053 O ILE A 71 1.249 3.055 -7.735 1.00 0.00 O ATOM 1054 CB ILE A 71 2.373 5.884 -8.112 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.940 7.135 -7.439 1.00 0.00 C ATOM 1056 CG2 ILE A 71 2.092 6.148 -9.583 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.962 8.287 -7.382 1.00 0.00 C ATOM 0 H ILE A 71 2.053 4.703 -5.680 1.00 0.00 H new ATOM 0 HA ILE A 71 0.310 6.172 -7.549 1.00 0.00 H new ATOM 0 HB ILE A 71 3.115 5.088 -8.042 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.251 6.883 -6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.833 7.454 -7.977 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.009 6.471 -10.076 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.729 5.234 -10.054 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.337 6.928 -9.675 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.432 9.140 -6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.669 8.566 -8.394 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.078 7.987 -6.819 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.434 4.133 -8.767 1.00 0.00 N ATOM 1070 CA TYR A 72 -0.968 2.929 -9.392 1.00 0.00 C ATOM 1071 C TYR A 72 -1.433 3.215 -10.817 1.00 0.00 C ATOM 1072 O TYR A 72 -2.000 4.272 -11.096 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.130 2.373 -8.567 1.00 0.00 C ATOM 1074 CG TYR A 72 -2.908 1.285 -9.272 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -2.498 -0.042 -9.208 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -4.051 1.583 -10.003 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -3.205 -1.039 -9.852 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -4.765 0.592 -10.648 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.338 -0.717 -10.570 1.00 0.00 C ATOM 1080 OH TYR A 72 -5.046 -1.707 -11.213 1.00 0.00 O ATOM 0 H TYR A 72 -0.950 4.985 -8.984 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.171 2.187 -9.431 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.742 1.980 -7.627 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.808 3.188 -8.315 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.612 -0.298 -8.646 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.387 2.607 -10.068 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.872 -2.065 -9.794 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.653 0.841 -11.210 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.817 -1.313 -11.672 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.189 2.265 -11.713 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.582 2.413 -13.110 1.00 0.00 C ATOM 1092 C CYS A 73 -1.021 3.704 -13.698 1.00 0.00 C ATOM 1093 O CYS A 73 -1.577 4.260 -14.645 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.106 2.401 -13.237 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.707 1.925 -14.874 1.00 0.00 S ATOM 0 H CYS A 73 -0.721 1.385 -11.497 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.172 1.572 -13.668 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.516 1.713 -12.497 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.488 3.393 -12.996 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.007 1.943 -14.881 1.00 0.00 H new ATOM 1101 N GLY A 74 0.084 4.177 -13.129 1.00 0.00 N ATOM 1102 CA GLY A 74 0.700 5.399 -13.610 1.00 0.00 C ATOM 1103 C GLY A 74 -0.029 6.641 -13.136 1.00 0.00 C ATOM 1104 O GLY A 74 0.025 7.686 -13.785 1.00 0.00 O ATOM 0 H GLY A 74 0.563 3.736 -12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.735 5.438 -13.272 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.721 5.387 -14.700 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.713 6.528 -12.002 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.458 7.649 -11.444 1.00 0.00 C ATOM 1110 C ARG A 75 -1.585 7.518 -9.929 1.00 0.00 C ATOM 1111 O ARG A 75 -1.861 6.436 -9.410 1.00 0.00 O ATOM 1112 CB ARG A 75 -2.848 7.731 -12.078 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.742 6.549 -11.741 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.186 6.810 -12.140 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.429 6.504 -13.547 1.00 0.00 N ATOM 1116 CZ ARG A 75 -5.194 7.359 -14.536 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -4.712 8.566 -14.273 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -5.441 7.007 -15.791 1.00 0.00 N ATOM 0 H ARG A 75 -0.766 5.671 -11.452 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.910 8.564 -11.667 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.335 8.649 -11.749 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.741 7.798 -13.161 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.377 5.658 -12.253 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.690 6.346 -10.671 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.848 6.207 -11.518 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.432 7.855 -11.949 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.799 5.583 -13.783 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.521 8.840 -13.309 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.532 9.221 -15.034 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.812 6.079 -15.997 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.260 7.664 -16.550 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.381 8.626 -9.225 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.473 8.637 -7.770 1.00 0.00 C ATOM 1134 C LYS A 76 -2.902 8.363 -7.313 1.00 0.00 C ATOM 1135 O LYS A 76 -3.852 8.966 -7.815 1.00 0.00 O ATOM 1136 CB LYS A 76 -0.999 9.983 -7.219 1.00 0.00 C ATOM 1137 CG LYS A 76 -0.599 9.934 -5.754 1.00 0.00 C ATOM 1138 CD LYS A 76 -1.812 10.010 -4.842 1.00 0.00 C ATOM 1139 CE LYS A 76 -2.406 11.410 -4.820 1.00 0.00 C ATOM 1140 NZ LYS A 76 -3.377 11.619 -5.930 1.00 0.00 N ATOM 0 H LYS A 76 -1.151 9.529 -9.639 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.829 7.846 -7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.149 10.328 -7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.794 10.718 -7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.051 9.013 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.076 10.760 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.566 9.299 -5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.527 9.718 -3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.904 11.578 -3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.605 12.145 -4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.121 12.277 -5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.882 12.017 -6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.807 10.709 -6.191 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.048 7.451 -6.358 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.362 7.099 -5.832 1.00 0.00 C ATOM 1156 C LEU A 77 -4.705 7.945 -4.610 1.00 0.00 C ATOM 1157 O LEU A 77 -4.005 7.906 -3.598 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.405 5.614 -5.466 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.813 4.651 -6.496 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.670 3.258 -5.903 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.676 4.614 -7.748 1.00 0.00 C ATOM 0 H LEU A 77 -2.273 6.942 -5.932 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.101 7.298 -6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.875 5.477 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.444 5.333 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.821 5.009 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.247 2.586 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.011 3.298 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.650 2.890 -5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.240 3.924 -8.470 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.680 4.280 -7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.727 5.612 -8.184 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.787 8.709 -4.711 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.226 9.563 -3.614 1.00 0.00 C ATOM 1175 C LYS A 78 -6.681 8.727 -2.422 1.00 0.00 C ATOM 1176 O LYS A 78 -7.005 7.548 -2.566 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.365 10.475 -4.075 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.889 11.771 -4.709 1.00 0.00 C ATOM 1179 CD LYS A 78 -6.722 12.870 -3.673 1.00 0.00 C ATOM 1180 CE LYS A 78 -5.392 12.753 -2.945 1.00 0.00 C ATOM 1181 NZ LYS A 78 -5.095 13.965 -2.132 1.00 0.00 N ATOM 0 H LYS A 78 -6.377 8.754 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.380 10.176 -3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.983 9.935 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.999 10.710 -3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.940 11.601 -5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.604 12.090 -5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.787 13.843 -4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.538 12.819 -2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.409 11.877 -2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.593 12.598 -3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.180 13.845 -1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.054 14.798 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.843 14.099 -1.422 1.00 0.00 H new ATOM 1195 N ASP A 79 -6.705 9.345 -1.246 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.123 8.659 -0.029 1.00 0.00 C ATOM 1197 C ASP A 79 -8.622 8.821 0.198 1.00 0.00 C ATOM 1198 O ASP A 79 -9.093 8.806 1.336 1.00 0.00 O ATOM 1199 CB ASP A 79 -6.350 9.196 1.176 1.00 0.00 C ATOM 1200 CG ASP A 79 -6.365 10.711 1.245 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -5.789 11.352 0.342 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -6.954 11.254 2.203 1.00 0.00 O ATOM 0 H ASP A 79 -6.440 10.320 -1.110 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.905 7.598 -0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.781 8.789 2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.318 8.848 1.127 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.367 8.978 -0.890 1.00 0.00 N ATOM 1208 CA ASP A 80 -10.814 9.144 -0.809 1.00 0.00 C ATOM 1209 C ASP A 80 -11.530 8.065 -1.616 1.00 0.00 C ATOM 1210 O ASP A 80 -12.675 7.718 -1.325 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.219 10.529 -1.315 1.00 0.00 C ATOM 1212 CG ASP A 80 -11.056 11.602 -0.257 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -11.696 11.486 0.809 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -10.289 12.559 -0.495 1.00 0.00 O ATOM 0 H ASP A 80 -8.993 8.994 -1.839 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.108 9.047 0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.615 10.786 -2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.258 10.503 -1.645 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.849 7.540 -2.629 1.00 0.00 N ATOM 1220 CA GLN A 81 -11.421 6.501 -3.477 1.00 0.00 C ATOM 1221 C GLN A 81 -11.209 5.120 -2.866 1.00 0.00 C ATOM 1222 O GLN A 81 -10.581 4.984 -1.816 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.800 6.555 -4.874 1.00 0.00 C ATOM 1224 CG GLN A 81 -11.304 7.714 -5.720 1.00 0.00 C ATOM 1225 CD GLN A 81 -11.219 9.044 -4.997 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -10.129 9.541 -4.714 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -12.373 9.628 -4.695 1.00 0.00 N ATOM 0 H GLN A 81 -9.901 7.817 -2.883 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.493 6.681 -3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.717 6.630 -4.778 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.010 5.619 -5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.722 7.767 -6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.339 7.526 -6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.253 9.180 -4.949 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.379 10.525 -4.209 1.00 0.00 H new ATOM 1236 N THR A 82 -11.737 4.097 -3.531 1.00 0.00 N ATOM 1237 CA THR A 82 -11.606 2.726 -3.053 1.00 0.00 C ATOM 1238 C THR A 82 -11.076 1.810 -4.149 1.00 0.00 C ATOM 1239 O THR A 82 -10.928 2.222 -5.300 1.00 0.00 O ATOM 1240 CB THR A 82 -12.954 2.177 -2.548 1.00 0.00 C ATOM 1241 OG1 THR A 82 -14.013 2.608 -3.410 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.229 2.643 -1.126 1.00 0.00 C ATOM 0 H THR A 82 -12.259 4.192 -4.402 1.00 0.00 H new ATOM 0 HA THR A 82 -10.897 2.746 -2.226 1.00 0.00 H new ATOM 0 HB THR A 82 -12.903 1.088 -2.553 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.866 2.253 -3.083 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.186 2.243 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.437 2.288 -0.467 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.262 3.732 -1.100 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.792 0.564 -3.786 1.00 0.00 N ATOM 1251 CA LEU A 83 -10.278 -0.413 -4.740 1.00 0.00 C ATOM 1252 C LEU A 83 -11.193 -0.521 -5.955 1.00 0.00 C ATOM 1253 O LEU A 83 -10.748 -0.385 -7.095 1.00 0.00 O ATOM 1254 CB LEU A 83 -10.134 -1.781 -4.072 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.904 -1.969 -3.183 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.695 -2.355 -4.020 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.623 -0.702 -2.388 1.00 0.00 C ATOM 0 H LEU A 83 -10.909 0.206 -2.838 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.298 -0.075 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.024 -1.964 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.114 -2.543 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.106 -2.778 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.829 -2.485 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.898 -3.289 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.489 -1.569 -4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.745 -0.853 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.441 0.125 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.482 -0.469 -1.759 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.475 -0.764 -5.704 1.00 0.00 N ATOM 1270 CA ASP A 84 -13.455 -0.887 -6.777 1.00 0.00 C ATOM 1271 C ASP A 84 -13.566 0.416 -7.563 1.00 0.00 C ATOM 1272 O ASP A 84 -13.781 0.405 -8.775 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.821 -1.272 -6.208 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.865 -1.467 -7.289 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -15.722 -2.417 -8.088 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.825 -0.671 -7.337 1.00 0.00 O ATOM 0 H ASP A 84 -12.860 -0.880 -4.766 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.119 -1.672 -7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.725 -2.191 -5.630 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -15.156 -0.496 -5.519 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.419 1.537 -6.865 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.505 2.848 -7.496 1.00 0.00 C ATOM 1283 C PHE A 85 -12.574 2.933 -8.702 1.00 0.00 C ATOM 1284 O PHE A 85 -12.961 3.417 -9.766 1.00 0.00 O ATOM 1285 CB PHE A 85 -13.156 3.947 -6.490 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.371 5.335 -7.020 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -12.563 5.839 -8.027 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -14.381 6.136 -6.513 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -12.758 7.117 -8.516 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -14.581 7.415 -6.998 1.00 0.00 C ATOM 1291 CZ PHE A 85 -13.769 7.906 -8.002 1.00 0.00 C ATOM 0 H PHE A 85 -13.240 1.563 -5.861 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.530 2.991 -7.839 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.760 3.812 -5.593 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.113 3.838 -6.192 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.772 5.226 -8.434 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -15.020 5.757 -5.729 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -12.120 7.499 -9.300 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.371 8.030 -6.592 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.924 8.904 -8.384 1.00 0.00 H new ATOM 1301 N TYR A 86 -11.345 2.459 -8.528 1.00 0.00 N ATOM 1302 CA TYR A 86 -10.357 2.484 -9.600 1.00 0.00 C ATOM 1303 C TYR A 86 -10.420 1.204 -10.428 1.00 0.00 C ATOM 1304 O TYR A 86 -9.996 1.176 -11.582 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.952 2.663 -9.023 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.642 4.086 -8.615 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -8.583 5.103 -9.560 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.410 4.413 -7.285 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -8.299 6.404 -9.192 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -8.127 5.712 -6.908 1.00 0.00 C ATOM 1311 CZ TYR A 86 -8.072 6.703 -7.865 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.791 7.998 -7.494 1.00 0.00 O ATOM 0 H TYR A 86 -11.009 2.053 -7.655 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.585 3.328 -10.251 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.839 2.012 -8.156 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -8.220 2.338 -9.763 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.762 4.873 -10.600 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.452 3.639 -6.533 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.255 7.182 -9.939 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.950 5.950 -5.869 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.118 8.156 -6.584 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.953 0.144 -9.827 1.00 0.00 N ATOM 1323 CA GLY A 87 -11.062 -1.125 -10.522 1.00 0.00 C ATOM 1324 C GLY A 87 -9.808 -1.967 -10.393 1.00 0.00 C ATOM 1325 O GLY A 87 -9.487 -2.756 -11.283 1.00 0.00 O ATOM 0 H GLY A 87 -11.311 0.142 -8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.911 -1.681 -10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.266 -0.942 -11.577 1.00 0.00 H new ATOM 1329 N ILE A 88 -9.096 -1.799 -9.284 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.870 -2.550 -9.042 1.00 0.00 C ATOM 1331 C ILE A 88 -8.159 -4.039 -8.888 1.00 0.00 C ATOM 1332 O ILE A 88 -9.269 -4.432 -8.531 1.00 0.00 O ATOM 1333 CB ILE A 88 -7.141 -2.046 -7.783 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.551 -0.656 -8.030 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -6.050 -3.025 -7.376 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.354 0.151 -6.766 1.00 0.00 C ATOM 0 H ILE A 88 -9.347 -1.149 -8.539 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.228 -2.395 -9.909 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.861 -1.975 -6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.592 -0.762 -8.537 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.208 -0.106 -8.704 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.543 -2.655 -6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.494 -3.997 -7.164 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.329 -3.125 -8.188 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.933 1.124 -7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.314 0.289 -6.269 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.673 -0.378 -6.099 1.00 0.00 H new ATOM 1348 N GLN A 89 -7.151 -4.862 -9.157 1.00 0.00 N ATOM 1349 CA GLN A 89 -7.296 -6.309 -9.047 1.00 0.00 C ATOM 1350 C GLN A 89 -6.269 -6.887 -8.079 1.00 0.00 C ATOM 1351 O GLN A 89 -5.164 -6.367 -7.925 1.00 0.00 O ATOM 1352 CB GLN A 89 -7.145 -6.965 -10.420 1.00 0.00 C ATOM 1353 CG GLN A 89 -8.272 -6.625 -11.384 1.00 0.00 C ATOM 1354 CD GLN A 89 -8.005 -5.356 -12.169 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -6.868 -4.892 -12.254 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -9.055 -4.787 -12.749 1.00 0.00 N ATOM 0 H GLN A 89 -6.225 -4.552 -9.453 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.293 -6.520 -8.660 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.197 -6.655 -10.859 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.100 -8.047 -10.294 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.414 -7.454 -12.078 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.201 -6.514 -10.826 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.980 -5.206 -12.653 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.937 -3.931 -13.291 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.641 -7.989 -7.409 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.766 -8.661 -6.445 1.00 0.00 C ATOM 1367 C PRO A 90 -4.583 -9.350 -7.117 1.00 0.00 C ATOM 1368 O PRO A 90 -4.665 -10.517 -7.496 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.686 -9.696 -5.792 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.741 -9.960 -6.811 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.943 -8.662 -7.543 1.00 0.00 C ATOM 0 HA PRO A 90 -5.323 -7.958 -5.739 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.142 -10.606 -5.540 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.116 -9.315 -4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.433 -10.750 -7.496 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.666 -10.290 -6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.205 -8.827 -8.588 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.747 -8.073 -7.102 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.482 -8.618 -7.262 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.298 -9.176 -7.889 1.00 0.00 C ATOM 1381 C GLY A 91 -1.466 -8.124 -8.596 1.00 0.00 C ATOM 1382 O GLY A 91 -0.332 -8.386 -8.996 1.00 0.00 O ATOM 0 H GLY A 91 -3.389 -7.649 -6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.688 -9.669 -7.132 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.596 -9.941 -8.606 1.00 0.00 H new ATOM 1386 N SER A 92 -2.031 -6.931 -8.750 1.00 0.00 N ATOM 1387 CA SER A 92 -1.336 -5.837 -9.419 1.00 0.00 C ATOM 1388 C SER A 92 -0.121 -5.390 -8.611 1.00 0.00 C ATOM 1389 O SER A 92 0.182 -5.954 -7.559 1.00 0.00 O ATOM 1390 CB SER A 92 -2.284 -4.655 -9.631 1.00 0.00 C ATOM 1391 OG SER A 92 -3.050 -4.401 -8.465 1.00 0.00 O ATOM 0 H SER A 92 -2.968 -6.697 -8.421 1.00 0.00 H new ATOM 0 HA SER A 92 -0.993 -6.197 -10.389 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.710 -3.767 -9.894 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.949 -4.864 -10.469 1.00 0.00 H new ATOM 0 HG SER A 92 -3.816 -5.012 -8.437 1.00 0.00 H new ATOM 1397 N THR A 93 0.572 -4.372 -9.110 1.00 0.00 N ATOM 1398 CA THR A 93 1.754 -3.849 -8.437 1.00 0.00 C ATOM 1399 C THR A 93 1.693 -2.330 -8.319 1.00 0.00 C ATOM 1400 O THR A 93 1.695 -1.619 -9.324 1.00 0.00 O ATOM 1401 CB THR A 93 3.045 -4.244 -9.180 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.970 -5.610 -9.600 1.00 0.00 O ATOM 1403 CG2 THR A 93 4.263 -4.047 -8.291 1.00 0.00 C ATOM 0 H THR A 93 0.335 -3.893 -9.979 1.00 0.00 H new ATOM 0 HA THR A 93 1.769 -4.288 -7.439 1.00 0.00 H new ATOM 0 HB THR A 93 3.146 -3.601 -10.054 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.793 -5.853 -10.073 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.162 -4.332 -8.837 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.334 -3.000 -7.998 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.167 -4.668 -7.400 1.00 0.00 H new ATOM 1411 N VAL A 94 1.641 -1.839 -7.085 1.00 0.00 N ATOM 1412 CA VAL A 94 1.581 -0.404 -6.836 1.00 0.00 C ATOM 1413 C VAL A 94 2.944 0.139 -6.422 1.00 0.00 C ATOM 1414 O VAL A 94 3.605 -0.415 -5.544 1.00 0.00 O ATOM 1415 CB VAL A 94 0.552 -0.067 -5.740 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.751 -0.812 -5.984 1.00 0.00 C ATOM 1417 CG2 VAL A 94 1.114 -0.393 -4.365 1.00 0.00 C ATOM 0 H VAL A 94 1.639 -2.414 -6.242 1.00 0.00 H new ATOM 0 HA VAL A 94 1.274 0.067 -7.770 1.00 0.00 H new ATOM 0 HB VAL A 94 0.343 1.002 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.466 -0.562 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.159 -0.524 -6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.563 -1.886 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.374 -0.149 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.353 -1.455 -4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.018 0.191 -4.194 1.00 0.00 H new ATOM 1427 N HIS A 95 3.360 1.228 -7.061 1.00 0.00 N ATOM 1428 CA HIS A 95 4.645 1.848 -6.759 1.00 0.00 C ATOM 1429 C HIS A 95 4.476 2.994 -5.765 1.00 0.00 C ATOM 1430 O HIS A 95 3.503 3.746 -5.829 1.00 0.00 O ATOM 1431 CB HIS A 95 5.302 2.362 -8.040 1.00 0.00 C ATOM 1432 CG HIS A 95 5.834 1.272 -8.919 1.00 0.00 C ATOM 1433 ND1 HIS A 95 7.074 0.697 -8.737 1.00 0.00 N ATOM 1434 CD2 HIS A 95 5.286 0.652 -9.990 1.00 0.00 C ATOM 1435 CE1 HIS A 95 7.267 -0.229 -9.659 1.00 0.00 C ATOM 1436 NE2 HIS A 95 6.196 -0.277 -10.432 1.00 0.00 N ATOM 0 H HIS A 95 2.826 1.699 -7.791 1.00 0.00 H new ATOM 0 HA HIS A 95 5.288 1.091 -6.309 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.575 2.948 -8.602 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.118 3.035 -7.776 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.314 0.851 -10.417 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.150 -0.842 -9.763 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.066 -0.902 -11.227 1.00 0.00 H new ATOM 1445 N VAL A 96 5.428 3.120 -4.847 1.00 0.00 N ATOM 1446 CA VAL A 96 5.385 4.174 -3.840 1.00 0.00 C ATOM 1447 C VAL A 96 6.312 5.326 -4.209 1.00 0.00 C ATOM 1448 O VAL A 96 7.438 5.111 -4.662 1.00 0.00 O ATOM 1449 CB VAL A 96 5.777 3.639 -2.450 1.00 0.00 C ATOM 1450 CG1 VAL A 96 6.008 4.788 -1.481 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.709 2.693 -1.923 1.00 0.00 C ATOM 0 H VAL A 96 6.239 2.505 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 96 4.357 4.536 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 96 6.709 3.082 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.284 4.390 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.811 5.423 -1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.094 5.375 -1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.002 2.324 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.760 3.224 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.598 1.852 -2.607 1.00 0.00 H new ATOM 1461 N LEU A 97 5.834 6.550 -4.013 1.00 0.00 N ATOM 1462 CA LEU A 97 6.621 7.738 -4.325 1.00 0.00 C ATOM 1463 C LEU A 97 6.571 8.741 -3.177 1.00 0.00 C ATOM 1464 O LEU A 97 5.494 9.156 -2.750 1.00 0.00 O ATOM 1465 CB LEU A 97 6.109 8.390 -5.611 1.00 0.00 C ATOM 1466 CG LEU A 97 7.121 9.238 -6.382 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.607 10.398 -5.528 1.00 0.00 C ATOM 1468 CD2 LEU A 97 8.293 8.383 -6.841 1.00 0.00 C ATOM 0 H LEU A 97 4.905 6.746 -3.639 1.00 0.00 H new ATOM 0 HA LEU A 97 7.657 7.430 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.744 7.604 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.254 9.018 -5.361 1.00 0.00 H new ATOM 0 HG LEU A 97 6.627 9.646 -7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.326 10.990 -6.094 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.760 11.025 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.084 10.012 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.003 9.003 -7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.786 7.946 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.930 7.587 -7.491 1.00 0.00 H new ATOM 1480 N ARG A 98 7.743 9.128 -2.685 1.00 0.00 N ATOM 1481 CA ARG A 98 7.832 10.084 -1.587 1.00 0.00 C ATOM 1482 C ARG A 98 7.467 11.488 -2.058 1.00 0.00 C ATOM 1483 O ARG A 98 7.578 11.806 -3.243 1.00 0.00 O ATOM 1484 CB ARG A 98 9.243 10.083 -0.996 1.00 0.00 C ATOM 1485 CG ARG A 98 9.551 8.855 -0.155 1.00 0.00 C ATOM 1486 CD ARG A 98 10.777 9.071 0.718 1.00 0.00 C ATOM 1487 NE ARG A 98 10.445 9.743 1.972 1.00 0.00 N ATOM 1488 CZ ARG A 98 10.485 11.061 2.133 1.00 0.00 C ATOM 1489 NH1 ARG A 98 10.840 11.844 1.124 1.00 0.00 N ATOM 1490 NH2 ARG A 98 10.168 11.597 3.304 1.00 0.00 N ATOM 0 H ARG A 98 8.644 8.795 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 98 7.122 9.782 -0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.968 10.148 -1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.371 10.975 -0.382 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.692 8.619 0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.714 7.997 -0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.242 8.109 0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.511 9.664 0.172 1.00 0.00 H new ATOM 0 HE ARG A 98 10.167 9.169 2.768 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.083 11.435 0.222 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.870 12.856 1.250 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.893 10.997 4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.199 12.609 3.427 1.00 0.00 H new