USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00165 USER MOD Single : A 19 SER OG : rot 180:sc= -0.583 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= -1.22 (180deg=-1.26) USER MOD Single : A 29 SER OG : rot 21:sc= 0.653 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0062 USER MOD Single : A 54 SER OG : rot 104:sc= 1.04 USER MOD Single : A 58 THR OG1 : rot 150:sc= 0.0272 USER MOD Single : A 59 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.44) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -3.85! C(o=-3.9!,f=-4.6!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 72 ASN : amide:sc= -0.817 X(o=-0.82,f=-1.2!) USER MOD Single : A 76 LYS NZ :NH3+ -132:sc= -1.13 (180deg=-3.43!) USER MOD Single : A 77 HIS : no HD1:sc= -11.6! C(o=-12!,f=-12!) USER MOD Single : A 79 SER OG : rot 180:sc= -0.162 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -11.502 -15.923 3.469 1.00 0.00 N ATOM 93 CA SER A 9 -10.717 -14.980 4.248 1.00 0.00 C ATOM 94 C SER A 9 -9.992 -14.007 3.317 1.00 0.00 C ATOM 95 O SER A 9 -9.056 -14.393 2.617 1.00 0.00 O ATOM 96 CB SER A 9 -9.712 -15.708 5.143 1.00 0.00 C ATOM 97 OG SER A 9 -10.202 -15.875 6.471 1.00 0.00 O ATOM 0 HA SER A 9 -11.395 -14.419 4.891 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.486 -16.684 4.715 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.778 -15.147 5.169 1.00 0.00 H new ATOM 0 HG SER A 9 -9.532 -16.345 7.010 1.00 0.00 H new ATOM 103 N LYS A 10 -10.450 -12.765 3.338 1.00 0.00 N ATOM 104 CA LYS A 10 -9.856 -11.734 2.504 1.00 0.00 C ATOM 105 C LYS A 10 -9.402 -10.569 3.386 1.00 0.00 C ATOM 106 O LYS A 10 -9.709 -10.531 4.577 1.00 0.00 O ATOM 107 CB LYS A 10 -10.823 -11.322 1.392 1.00 0.00 C ATOM 108 CG LYS A 10 -10.677 -12.235 0.173 1.00 0.00 C ATOM 109 CD LYS A 10 -11.437 -11.671 -1.029 1.00 0.00 C ATOM 110 CE LYS A 10 -11.068 -12.419 -2.312 1.00 0.00 C ATOM 111 NZ LYS A 10 -11.710 -11.785 -3.485 1.00 0.00 N ATOM 0 H LYS A 10 -11.226 -12.449 3.920 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.969 -12.117 1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.847 -11.364 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.631 -10.289 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.622 -12.346 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.054 -13.230 0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.510 -11.749 -0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.209 -10.611 -1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.986 -12.422 -2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.383 -13.460 -2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.449 -12.305 -4.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.743 -11.805 -3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.390 -10.799 -3.565 1.00 0.00 H new ATOM 125 N VAL A 11 -8.679 -9.647 2.768 1.00 0.00 N ATOM 126 CA VAL A 11 -8.179 -8.485 3.482 1.00 0.00 C ATOM 127 C VAL A 11 -8.175 -7.277 2.542 1.00 0.00 C ATOM 128 O VAL A 11 -7.517 -7.297 1.503 1.00 0.00 O ATOM 129 CB VAL A 11 -6.801 -8.787 4.074 1.00 0.00 C ATOM 130 CG1 VAL A 11 -6.918 -9.692 5.302 1.00 0.00 C ATOM 131 CG2 VAL A 11 -5.876 -9.405 3.023 1.00 0.00 C ATOM 0 H VAL A 11 -8.427 -9.681 1.780 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.831 -8.242 4.321 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.360 -7.843 4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.924 -9.891 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.524 -9.198 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.389 -10.633 5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.903 -9.610 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.311 -10.335 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.754 -8.710 2.192 1.00 0.00 H new ATOM 141 N SER A 12 -8.916 -6.255 2.941 1.00 0.00 N ATOM 142 CA SER A 12 -9.006 -5.041 2.148 1.00 0.00 C ATOM 143 C SER A 12 -8.013 -4.000 2.669 1.00 0.00 C ATOM 144 O SER A 12 -7.706 -3.971 3.860 1.00 0.00 O ATOM 145 CB SER A 12 -10.427 -4.474 2.166 1.00 0.00 C ATOM 146 OG SER A 12 -10.794 -3.994 3.457 1.00 0.00 O ATOM 0 H SER A 12 -9.460 -6.242 3.804 1.00 0.00 H new ATOM 0 HA SER A 12 -8.756 -5.288 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.503 -3.662 1.442 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.130 -5.246 1.853 1.00 0.00 H new ATOM 0 HG SER A 12 -11.707 -3.639 3.427 1.00 0.00 H new ATOM 152 N PHE A 13 -7.539 -3.170 1.752 1.00 0.00 N ATOM 153 CA PHE A 13 -6.587 -2.130 2.104 1.00 0.00 C ATOM 154 C PHE A 13 -7.086 -0.755 1.657 1.00 0.00 C ATOM 155 O PHE A 13 -7.795 -0.643 0.657 1.00 0.00 O ATOM 156 CB PHE A 13 -5.283 -2.450 1.370 1.00 0.00 C ATOM 157 CG PHE A 13 -4.942 -3.941 1.328 1.00 0.00 C ATOM 158 CD1 PHE A 13 -5.545 -4.751 0.417 1.00 0.00 C ATOM 159 CD2 PHE A 13 -4.036 -4.456 2.202 1.00 0.00 C ATOM 160 CE1 PHE A 13 -5.228 -6.135 0.378 1.00 0.00 C ATOM 161 CE2 PHE A 13 -3.720 -5.840 2.163 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.322 -6.650 1.252 1.00 0.00 C ATOM 0 H PHE A 13 -7.796 -3.196 0.765 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.449 -2.102 3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.351 -2.075 0.349 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.466 -1.914 1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.265 -4.342 -0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.557 -3.813 2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.706 -6.778 -0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.001 -6.249 2.857 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.081 -7.702 1.222 1.00 0.00 H new ATOM 172 N LYS A 14 -6.697 0.257 2.418 1.00 0.00 N ATOM 173 CA LYS A 14 -7.097 1.620 2.112 1.00 0.00 C ATOM 174 C LYS A 14 -5.848 2.490 1.954 1.00 0.00 C ATOM 175 O LYS A 14 -5.295 2.974 2.940 1.00 0.00 O ATOM 176 CB LYS A 14 -8.078 2.140 3.165 1.00 0.00 C ATOM 177 CG LYS A 14 -8.825 3.374 2.656 1.00 0.00 C ATOM 178 CD LYS A 14 -9.597 4.053 3.789 1.00 0.00 C ATOM 179 CE LYS A 14 -10.968 3.403 3.985 1.00 0.00 C ATOM 180 NZ LYS A 14 -11.055 2.768 5.319 1.00 0.00 N ATOM 0 H LYS A 14 -6.109 0.161 3.246 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.634 1.655 1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.793 1.357 3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.538 2.388 4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.116 4.079 2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.515 3.085 1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.024 3.988 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.722 5.112 3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.751 4.154 3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.137 2.657 3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.992 2.332 5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.320 2.037 5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.915 3.488 6.056 1.00 0.00 H new ATOM 194 N ILE A 15 -5.440 2.661 0.705 1.00 0.00 N ATOM 195 CA ILE A 15 -4.266 3.463 0.404 1.00 0.00 C ATOM 196 C ILE A 15 -4.692 4.707 -0.379 1.00 0.00 C ATOM 197 O ILE A 15 -5.512 4.621 -1.291 1.00 0.00 O ATOM 198 CB ILE A 15 -3.209 2.619 -0.310 1.00 0.00 C ATOM 199 CG1 ILE A 15 -2.965 1.303 0.432 1.00 0.00 C ATOM 200 CG2 ILE A 15 -1.916 3.413 -0.507 1.00 0.00 C ATOM 201 CD1 ILE A 15 -2.818 0.140 -0.551 1.00 0.00 C ATOM 0 H ILE A 15 -5.902 2.258 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.795 3.810 1.324 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.586 2.365 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.065 1.386 1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.793 1.106 1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.181 2.790 -1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.121 4.299 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.524 3.716 0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.645 -0.784 0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.729 0.045 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.974 0.329 -1.215 1.00 0.00 H new ATOM 213 N THR A 16 -4.114 5.836 0.007 1.00 0.00 N ATOM 214 CA THR A 16 -4.423 7.096 -0.647 1.00 0.00 C ATOM 215 C THR A 16 -3.179 7.657 -1.339 1.00 0.00 C ATOM 216 O THR A 16 -2.085 7.626 -0.778 1.00 0.00 O ATOM 217 CB THR A 16 -5.013 8.041 0.401 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.319 7.523 0.640 1.00 0.00 O ATOM 219 CG2 THR A 16 -5.265 9.445 -0.152 1.00 0.00 C ATOM 0 H THR A 16 -3.434 5.904 0.764 1.00 0.00 H new ATOM 0 HA THR A 16 -5.162 6.961 -1.436 1.00 0.00 H new ATOM 0 HB THR A 16 -4.338 8.103 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.773 8.076 1.310 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.684 10.075 0.632 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.325 9.874 -0.499 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.966 9.388 -0.984 1.00 0.00 H new ATOM 227 N LEU A 17 -3.388 8.156 -2.548 1.00 0.00 N ATOM 228 CA LEU A 17 -2.297 8.723 -3.323 1.00 0.00 C ATOM 229 C LEU A 17 -1.892 10.068 -2.716 1.00 0.00 C ATOM 230 O LEU A 17 -2.636 11.043 -2.805 1.00 0.00 O ATOM 231 CB LEU A 17 -2.676 8.805 -4.803 1.00 0.00 C ATOM 232 CG LEU A 17 -1.524 8.664 -5.799 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.954 7.244 -5.780 1.00 0.00 C ATOM 234 CD2 LEU A 17 -1.959 9.088 -7.204 1.00 0.00 C ATOM 0 H LEU A 17 -4.297 8.180 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.421 8.076 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.409 8.027 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.167 9.762 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.723 9.337 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.136 7.171 -6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.583 7.014 -4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.737 6.534 -6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.121 8.978 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.785 8.459 -7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.280 10.129 -7.187 1.00 0.00 H new ATOM 246 N THR A 18 -0.712 10.077 -2.113 1.00 0.00 N ATOM 247 CA THR A 18 -0.199 11.287 -1.491 1.00 0.00 C ATOM 248 C THR A 18 0.621 12.096 -2.498 1.00 0.00 C ATOM 249 O THR A 18 1.640 12.687 -2.142 1.00 0.00 O ATOM 250 CB THR A 18 0.595 10.879 -0.248 1.00 0.00 C ATOM 251 OG1 THR A 18 1.702 10.148 -0.768 1.00 0.00 O ATOM 252 CG2 THR A 18 -0.152 9.861 0.616 1.00 0.00 C ATOM 0 H THR A 18 -0.097 9.267 -2.042 1.00 0.00 H new ATOM 0 HA THR A 18 -1.009 11.945 -1.175 1.00 0.00 H new ATOM 0 HB THR A 18 0.819 11.765 0.347 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.271 9.847 -0.029 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.455 9.606 1.484 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.098 10.290 0.948 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.347 8.961 0.032 1.00 0.00 H new ATOM 260 N SER A 19 0.146 12.098 -3.735 1.00 0.00 N ATOM 261 CA SER A 19 0.822 12.826 -4.795 1.00 0.00 C ATOM 262 C SER A 19 -0.055 13.982 -5.279 1.00 0.00 C ATOM 263 O SER A 19 0.452 15.044 -5.636 1.00 0.00 O ATOM 264 CB SER A 19 1.171 11.900 -5.962 1.00 0.00 C ATOM 265 OG SER A 19 0.013 11.289 -6.523 1.00 0.00 O ATOM 0 H SER A 19 -0.699 11.607 -4.027 1.00 0.00 H new ATOM 0 HA SER A 19 1.752 13.228 -4.394 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.691 12.469 -6.733 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.858 11.127 -5.618 1.00 0.00 H new ATOM 0 HG SER A 19 0.278 10.707 -7.266 1.00 0.00 H new ATOM 271 N ASP A 20 -1.357 13.736 -5.275 1.00 0.00 N ATOM 272 CA ASP A 20 -2.310 14.743 -5.709 1.00 0.00 C ATOM 273 C ASP A 20 -2.876 15.465 -4.484 1.00 0.00 C ATOM 274 O ASP A 20 -2.897 14.910 -3.386 1.00 0.00 O ATOM 275 CB ASP A 20 -3.479 14.107 -6.464 1.00 0.00 C ATOM 276 CG ASP A 20 -3.859 14.804 -7.772 1.00 0.00 C ATOM 277 OD1 ASP A 20 -2.929 15.079 -8.560 1.00 0.00 O ATOM 278 OD2 ASP A 20 -5.072 15.046 -7.954 1.00 0.00 O ATOM 0 H ASP A 20 -1.774 12.854 -4.978 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.789 15.437 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.229 13.069 -6.682 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.351 14.094 -5.810 1.00 0.00 H new ATOM 283 N PRO A 21 -3.334 16.724 -4.719 1.00 0.00 N ATOM 284 CA PRO A 21 -3.898 17.527 -3.648 1.00 0.00 C ATOM 285 C PRO A 21 -5.305 17.047 -3.285 1.00 0.00 C ATOM 286 O PRO A 21 -5.943 17.601 -2.391 1.00 0.00 O ATOM 287 CB PRO A 21 -3.875 18.954 -4.172 1.00 0.00 C ATOM 288 CG PRO A 21 -3.733 18.842 -5.681 1.00 0.00 C ATOM 289 CD PRO A 21 -3.325 17.414 -6.006 1.00 0.00 C ATOM 0 HA PRO A 21 -3.331 17.448 -2.720 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.790 19.483 -3.904 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.045 19.514 -3.742 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.673 19.092 -6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.985 19.545 -6.047 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.021 16.953 -6.707 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.338 17.379 -6.467 1.00 0.00 H new ATOM 297 N ARG A 22 -5.747 16.021 -3.998 1.00 0.00 N ATOM 298 CA ARG A 22 -7.066 15.459 -3.762 1.00 0.00 C ATOM 299 C ARG A 22 -6.970 14.251 -2.829 1.00 0.00 C ATOM 300 O ARG A 22 -7.941 13.899 -2.161 1.00 0.00 O ATOM 301 CB ARG A 22 -7.725 15.031 -5.075 1.00 0.00 C ATOM 302 CG ARG A 22 -7.956 16.234 -5.991 1.00 0.00 C ATOM 303 CD ARG A 22 -9.013 15.921 -7.052 1.00 0.00 C ATOM 304 NE ARG A 22 -8.358 15.494 -8.308 1.00 0.00 N ATOM 305 CZ ARG A 22 -7.946 14.243 -8.553 1.00 0.00 C ATOM 306 NH1 ARG A 22 -8.119 13.288 -7.630 1.00 0.00 N ATOM 307 NH2 ARG A 22 -7.361 13.947 -9.722 1.00 0.00 N ATOM 0 H ARG A 22 -5.215 15.565 -4.739 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.677 16.232 -3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.094 14.300 -5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.676 14.541 -4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.274 17.091 -5.398 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.020 16.511 -6.476 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.678 15.135 -6.694 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.629 16.802 -7.234 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.211 16.196 -9.033 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.564 13.513 -6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.805 12.336 -7.817 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.229 14.674 -10.425 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.047 12.995 -9.909 1.00 0.00 H new ATOM 321 N LEU A 23 -5.790 13.648 -2.814 1.00 0.00 N ATOM 322 CA LEU A 23 -5.554 12.485 -1.974 1.00 0.00 C ATOM 323 C LEU A 23 -6.684 11.475 -2.181 1.00 0.00 C ATOM 324 O LEU A 23 -7.497 11.256 -1.284 1.00 0.00 O ATOM 325 CB LEU A 23 -5.366 12.908 -0.516 1.00 0.00 C ATOM 326 CG LEU A 23 -3.923 12.931 -0.006 1.00 0.00 C ATOM 327 CD1 LEU A 23 -3.360 14.354 -0.021 1.00 0.00 C ATOM 328 CD2 LEU A 23 -3.821 12.288 1.379 1.00 0.00 C ATOM 0 H LEU A 23 -4.987 13.943 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.627 11.989 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.791 13.904 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.943 12.232 0.115 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.311 12.335 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.334 14.343 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.377 14.741 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.968 14.993 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.786 12.317 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.449 12.836 2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.156 11.252 1.325 1.00 0.00 H new ATOM 340 N PRO A 24 -6.699 10.870 -3.399 1.00 0.00 N ATOM 341 CA PRO A 24 -7.716 9.888 -3.734 1.00 0.00 C ATOM 342 C PRO A 24 -7.441 8.554 -3.037 1.00 0.00 C ATOM 343 O PRO A 24 -6.287 8.195 -2.810 1.00 0.00 O ATOM 344 CB PRO A 24 -7.678 9.785 -5.251 1.00 0.00 C ATOM 345 CG PRO A 24 -6.336 10.360 -5.674 1.00 0.00 C ATOM 346 CD PRO A 24 -5.752 11.105 -4.485 1.00 0.00 C ATOM 0 HA PRO A 24 -8.710 10.178 -3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.779 8.749 -5.575 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.501 10.341 -5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.663 9.564 -5.993 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.459 11.033 -6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.759 10.732 -4.233 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.648 12.169 -4.697 1.00 0.00 H new ATOM 354 N TYR A 25 -8.521 7.856 -2.718 1.00 0.00 N ATOM 355 CA TYR A 25 -8.410 6.570 -2.051 1.00 0.00 C ATOM 356 C TYR A 25 -9.147 5.481 -2.834 1.00 0.00 C ATOM 357 O TYR A 25 -9.996 5.781 -3.673 1.00 0.00 O ATOM 358 CB TYR A 25 -9.081 6.743 -0.687 1.00 0.00 C ATOM 359 CG TYR A 25 -10.601 6.569 -0.715 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.416 7.658 -0.946 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.157 5.322 -0.509 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.847 7.495 -0.971 1.00 0.00 C ATOM 363 CE2 TYR A 25 -12.587 5.159 -0.535 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.362 6.253 -0.765 1.00 0.00 C ATOM 365 OH TYR A 25 -14.713 6.099 -0.789 1.00 0.00 O ATOM 0 H TYR A 25 -9.477 8.157 -2.909 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.366 6.270 -1.968 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.656 6.021 0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.846 7.735 -0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.981 8.633 -1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.519 4.469 -0.328 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.496 8.340 -1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.035 4.189 -0.375 1.00 0.00 H new ATOM 0 HH TYR A 25 -14.938 5.159 -0.628 1.00 0.00 H new ATOM 375 N LYS A 26 -8.796 4.240 -2.533 1.00 0.00 N ATOM 376 CA LYS A 26 -9.413 3.105 -3.199 1.00 0.00 C ATOM 377 C LYS A 26 -9.316 1.875 -2.294 1.00 0.00 C ATOM 378 O LYS A 26 -8.238 1.545 -1.802 1.00 0.00 O ATOM 379 CB LYS A 26 -8.800 2.899 -4.585 1.00 0.00 C ATOM 380 CG LYS A 26 -7.348 2.429 -4.479 1.00 0.00 C ATOM 381 CD LYS A 26 -7.235 0.929 -4.758 1.00 0.00 C ATOM 382 CE LYS A 26 -5.797 0.543 -5.108 1.00 0.00 C ATOM 383 NZ LYS A 26 -5.531 -0.864 -4.734 1.00 0.00 N ATOM 0 H LYS A 26 -8.092 3.995 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.473 3.293 -3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.384 2.164 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.844 3.831 -5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.731 2.982 -5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.963 2.647 -3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.563 0.367 -3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.898 0.657 -5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.628 0.680 -6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.101 1.201 -4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.600 -1.150 -5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.540 -0.955 -3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.266 -1.476 -5.142 1.00 0.00 H new ATOM 397 N VAL A 27 -10.458 1.229 -2.103 1.00 0.00 N ATOM 398 CA VAL A 27 -10.515 0.042 -1.267 1.00 0.00 C ATOM 399 C VAL A 27 -10.301 -1.199 -2.135 1.00 0.00 C ATOM 400 O VAL A 27 -11.108 -1.491 -3.017 1.00 0.00 O ATOM 401 CB VAL A 27 -11.835 0.011 -0.493 1.00 0.00 C ATOM 402 CG1 VAL A 27 -11.822 -1.092 0.567 1.00 0.00 C ATOM 403 CG2 VAL A 27 -12.134 1.373 0.135 1.00 0.00 C ATOM 0 H VAL A 27 -11.350 1.505 -2.513 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.718 0.059 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.634 -0.213 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.771 -1.093 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.677 -2.059 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.009 -0.912 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.077 1.324 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.332 1.640 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.206 2.127 -0.649 1.00 0.00 H new ATOM 413 N LEU A 28 -9.210 -1.897 -1.856 1.00 0.00 N ATOM 414 CA LEU A 28 -8.880 -3.100 -2.600 1.00 0.00 C ATOM 415 C LEU A 28 -9.348 -4.326 -1.814 1.00 0.00 C ATOM 416 O LEU A 28 -9.548 -4.251 -0.602 1.00 0.00 O ATOM 417 CB LEU A 28 -7.390 -3.124 -2.947 1.00 0.00 C ATOM 418 CG LEU A 28 -6.910 -4.326 -3.762 1.00 0.00 C ATOM 419 CD1 LEU A 28 -7.368 -4.219 -5.218 1.00 0.00 C ATOM 420 CD2 LEU A 28 -5.394 -4.495 -3.649 1.00 0.00 C ATOM 0 H LEU A 28 -8.543 -1.652 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.406 -3.113 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.152 -2.216 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.820 -3.089 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.366 -5.225 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.014 -5.086 -5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.457 -4.184 -5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.960 -3.311 -5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.079 -5.357 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.899 -3.599 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.122 -4.650 -2.605 1.00 0.00 H new ATOM 432 N SER A 29 -9.510 -5.426 -2.535 1.00 0.00 N ATOM 433 CA SER A 29 -9.951 -6.666 -1.919 1.00 0.00 C ATOM 434 C SER A 29 -9.212 -7.851 -2.543 1.00 0.00 C ATOM 435 O SER A 29 -9.336 -8.104 -3.740 1.00 0.00 O ATOM 436 CB SER A 29 -11.463 -6.846 -2.066 1.00 0.00 C ATOM 437 OG SER A 29 -11.850 -7.022 -3.427 1.00 0.00 O ATOM 0 H SER A 29 -9.344 -5.484 -3.540 1.00 0.00 H new ATOM 0 HA SER A 29 -9.720 -6.621 -0.855 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.784 -7.710 -1.483 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.974 -5.976 -1.654 1.00 0.00 H new ATOM 0 HG SER A 29 -11.076 -7.315 -3.952 1.00 0.00 H new ATOM 443 N VAL A 30 -8.459 -8.546 -1.703 1.00 0.00 N ATOM 444 CA VAL A 30 -7.700 -9.699 -2.157 1.00 0.00 C ATOM 445 C VAL A 30 -7.544 -10.689 -1.001 1.00 0.00 C ATOM 446 O VAL A 30 -7.704 -10.322 0.161 1.00 0.00 O ATOM 447 CB VAL A 30 -6.360 -9.246 -2.742 1.00 0.00 C ATOM 448 CG1 VAL A 30 -6.511 -7.927 -3.501 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.296 -9.131 -1.648 1.00 0.00 C ATOM 0 H VAL A 30 -8.358 -8.333 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.231 -10.215 -2.957 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.030 -10.004 -3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.544 -7.628 -3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.222 -8.056 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.874 -7.156 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.353 -8.808 -2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.617 -8.402 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.159 -10.101 -1.170 1.00 0.00 H new ATOM 459 N PRO A 31 -7.226 -11.959 -1.371 1.00 0.00 N ATOM 460 CA PRO A 31 -7.046 -13.004 -0.378 1.00 0.00 C ATOM 461 C PRO A 31 -5.711 -12.845 0.351 1.00 0.00 C ATOM 462 O PRO A 31 -4.652 -12.854 -0.275 1.00 0.00 O ATOM 463 CB PRO A 31 -7.146 -14.306 -1.156 1.00 0.00 C ATOM 464 CG PRO A 31 -6.913 -13.941 -2.613 1.00 0.00 C ATOM 465 CD PRO A 31 -7.029 -12.430 -2.739 1.00 0.00 C ATOM 0 HA PRO A 31 -7.797 -12.967 0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.404 -15.025 -0.810 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.124 -14.767 -1.021 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.928 -14.277 -2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.645 -14.435 -3.252 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.131 -11.999 -3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.865 -12.149 -3.379 1.00 0.00 H new ATOM 473 N GLU A 32 -5.804 -12.702 1.665 1.00 0.00 N ATOM 474 CA GLU A 32 -4.617 -12.541 2.487 1.00 0.00 C ATOM 475 C GLU A 32 -3.478 -13.411 1.951 1.00 0.00 C ATOM 476 O GLU A 32 -2.347 -12.947 1.817 1.00 0.00 O ATOM 477 CB GLU A 32 -4.915 -12.868 3.951 1.00 0.00 C ATOM 478 CG GLU A 32 -5.690 -14.182 4.073 1.00 0.00 C ATOM 479 CD GLU A 32 -6.058 -14.468 5.530 1.00 0.00 C ATOM 480 OE1 GLU A 32 -6.692 -13.580 6.140 1.00 0.00 O ATOM 481 OE2 GLU A 32 -5.698 -15.569 6.001 1.00 0.00 O ATOM 0 H GLU A 32 -6.684 -12.694 2.181 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.305 -11.498 2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.981 -12.939 4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.492 -12.058 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.596 -14.132 3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.089 -15.001 3.679 1.00 0.00 H new ATOM 488 N SER A 33 -3.817 -14.658 1.658 1.00 0.00 N ATOM 489 CA SER A 33 -2.837 -15.598 1.140 1.00 0.00 C ATOM 490 C SER A 33 -1.887 -14.884 0.176 1.00 0.00 C ATOM 491 O SER A 33 -0.689 -15.164 0.160 1.00 0.00 O ATOM 492 CB SER A 33 -3.519 -16.774 0.438 1.00 0.00 C ATOM 493 OG SER A 33 -2.615 -17.497 -0.393 1.00 0.00 O ATOM 0 H SER A 33 -4.756 -15.039 1.769 1.00 0.00 H new ATOM 0 HA SER A 33 -2.265 -15.993 1.979 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.942 -17.446 1.185 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.349 -16.405 -0.164 1.00 0.00 H new ATOM 0 HG SER A 33 -3.088 -18.240 -0.822 1.00 0.00 H new ATOM 499 N THR A 34 -2.456 -13.976 -0.603 1.00 0.00 N ATOM 500 CA THR A 34 -1.674 -13.221 -1.566 1.00 0.00 C ATOM 501 C THR A 34 -0.685 -12.301 -0.847 1.00 0.00 C ATOM 502 O THR A 34 -0.977 -11.795 0.236 1.00 0.00 O ATOM 503 CB THR A 34 -2.646 -12.471 -2.480 1.00 0.00 C ATOM 504 OG1 THR A 34 -3.089 -13.462 -3.403 1.00 0.00 O ATOM 505 CG2 THR A 34 -1.943 -11.433 -3.357 1.00 0.00 C ATOM 0 H THR A 34 -3.450 -13.746 -0.587 1.00 0.00 H new ATOM 0 HA THR A 34 -1.065 -13.881 -2.185 1.00 0.00 H new ATOM 0 HB THR A 34 -3.407 -11.979 -1.874 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.725 -13.062 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.678 -10.930 -3.986 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.444 -10.699 -2.724 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.205 -11.929 -3.987 1.00 0.00 H new ATOM 513 N PRO A 35 0.495 -12.108 -1.494 1.00 0.00 N ATOM 514 CA PRO A 35 1.529 -11.258 -0.928 1.00 0.00 C ATOM 515 C PRO A 35 1.166 -9.780 -1.076 1.00 0.00 C ATOM 516 O PRO A 35 0.738 -9.346 -2.145 1.00 0.00 O ATOM 517 CB PRO A 35 2.799 -11.635 -1.673 1.00 0.00 C ATOM 518 CG PRO A 35 2.346 -12.342 -2.939 1.00 0.00 C ATOM 519 CD PRO A 35 0.875 -12.691 -2.778 1.00 0.00 C ATOM 0 HA PRO A 35 1.653 -11.405 0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.390 -10.750 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.429 -12.286 -1.066 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.493 -11.700 -3.808 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.936 -13.243 -3.105 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.279 -12.279 -3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.721 -13.770 -2.784 1.00 0.00 H new ATOM 527 N PHE A 36 1.349 -9.046 0.012 1.00 0.00 N ATOM 528 CA PHE A 36 1.046 -7.625 0.016 1.00 0.00 C ATOM 529 C PHE A 36 1.863 -6.887 -1.047 1.00 0.00 C ATOM 530 O PHE A 36 1.559 -5.744 -1.385 1.00 0.00 O ATOM 531 CB PHE A 36 1.428 -7.091 1.398 1.00 0.00 C ATOM 532 CG PHE A 36 0.646 -5.845 1.821 1.00 0.00 C ATOM 533 CD1 PHE A 36 0.932 -4.640 1.261 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.334 -5.944 2.758 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.206 -3.484 1.654 1.00 0.00 C ATOM 536 CE2 PHE A 36 -1.060 -4.789 3.152 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.774 -3.583 2.591 1.00 0.00 C ATOM 0 H PHE A 36 1.703 -9.409 0.897 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.010 -7.469 -0.203 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.268 -7.876 2.137 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.493 -6.859 1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.711 -4.561 0.517 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.560 -6.902 3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.433 -2.527 1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.839 -4.868 3.896 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.326 -2.704 2.890 1.00 0.00 H new ATOM 547 N THR A 37 2.883 -7.570 -1.543 1.00 0.00 N ATOM 548 CA THR A 37 3.746 -6.994 -2.561 1.00 0.00 C ATOM 549 C THR A 37 2.961 -6.755 -3.852 1.00 0.00 C ATOM 550 O THR A 37 3.261 -5.828 -4.603 1.00 0.00 O ATOM 551 CB THR A 37 4.948 -7.923 -2.744 1.00 0.00 C ATOM 552 OG1 THR A 37 5.996 -7.055 -3.165 1.00 0.00 O ATOM 553 CG2 THR A 37 4.769 -8.888 -3.917 1.00 0.00 C ATOM 0 H THR A 37 3.132 -8.518 -1.259 1.00 0.00 H new ATOM 0 HA THR A 37 4.117 -6.015 -2.257 1.00 0.00 H new ATOM 0 HB THR A 37 5.110 -8.492 -1.828 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.815 -7.575 -3.306 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.650 -9.524 -4.003 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.889 -9.508 -3.747 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.640 -8.320 -4.839 1.00 0.00 H new ATOM 561 N ALA A 38 1.970 -7.607 -4.071 1.00 0.00 N ATOM 562 CA ALA A 38 1.140 -7.500 -5.259 1.00 0.00 C ATOM 563 C ALA A 38 0.218 -6.287 -5.124 1.00 0.00 C ATOM 564 O ALA A 38 -0.058 -5.600 -6.106 1.00 0.00 O ATOM 565 CB ALA A 38 0.363 -8.803 -5.458 1.00 0.00 C ATOM 0 H ALA A 38 1.723 -8.374 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 38 1.756 -7.349 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.260 -8.723 -6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.063 -9.630 -5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.269 -8.986 -4.589 1.00 0.00 H new ATOM 571 N VAL A 39 -0.233 -6.060 -3.899 1.00 0.00 N ATOM 572 CA VAL A 39 -1.118 -4.941 -3.622 1.00 0.00 C ATOM 573 C VAL A 39 -0.502 -3.658 -4.183 1.00 0.00 C ATOM 574 O VAL A 39 -1.219 -2.759 -4.619 1.00 0.00 O ATOM 575 CB VAL A 39 -1.407 -4.860 -2.122 1.00 0.00 C ATOM 576 CG1 VAL A 39 -2.116 -3.551 -1.770 1.00 0.00 C ATOM 577 CG2 VAL A 39 -2.221 -6.068 -1.654 1.00 0.00 C ATOM 0 H VAL A 39 -0.002 -6.632 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.079 -5.083 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.452 -4.876 -1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.310 -3.519 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.484 -2.708 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.060 -3.492 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.412 -5.985 -0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.169 -6.098 -2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.662 -6.982 -1.853 1.00 0.00 H new ATOM 587 N LEU A 40 0.822 -3.613 -4.153 1.00 0.00 N ATOM 588 CA LEU A 40 1.543 -2.455 -4.652 1.00 0.00 C ATOM 589 C LEU A 40 1.251 -2.282 -6.144 1.00 0.00 C ATOM 590 O LEU A 40 0.615 -1.310 -6.547 1.00 0.00 O ATOM 591 CB LEU A 40 3.034 -2.571 -4.326 1.00 0.00 C ATOM 592 CG LEU A 40 3.870 -1.309 -4.553 1.00 0.00 C ATOM 593 CD1 LEU A 40 4.656 -1.400 -5.862 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.996 -0.055 -4.495 1.00 0.00 C ATOM 0 H LEU A 40 1.414 -4.360 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 40 1.201 -1.549 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.135 -2.867 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.456 -3.376 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 40 4.598 -1.232 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.241 -0.491 -5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.325 -2.260 -5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.963 -1.514 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.614 0.827 -4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.229 -0.110 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.521 0.012 -3.516 1.00 0.00 H new ATOM 606 N LYS A 41 1.730 -3.241 -6.923 1.00 0.00 N ATOM 607 CA LYS A 41 1.529 -3.207 -8.362 1.00 0.00 C ATOM 608 C LYS A 41 0.091 -2.778 -8.661 1.00 0.00 C ATOM 609 O LYS A 41 -0.138 -1.895 -9.486 1.00 0.00 O ATOM 610 CB LYS A 41 1.913 -4.548 -8.988 1.00 0.00 C ATOM 611 CG LYS A 41 3.433 -4.680 -9.112 1.00 0.00 C ATOM 612 CD LYS A 41 3.817 -6.024 -9.734 1.00 0.00 C ATOM 613 CE LYS A 41 3.734 -5.965 -11.261 1.00 0.00 C ATOM 614 NZ LYS A 41 4.985 -6.473 -11.868 1.00 0.00 N ATOM 0 H LYS A 41 2.257 -4.046 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 41 2.185 -2.468 -8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.522 -5.363 -8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.455 -4.638 -9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.824 -3.867 -9.724 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.891 -4.586 -8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.829 -6.293 -9.431 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.154 -6.804 -9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.888 -6.557 -11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.558 -4.938 -11.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.912 -6.426 -12.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.786 -5.891 -11.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.137 -7.460 -11.576 1.00 0.00 H new ATOM 628 N PHE A 42 -0.840 -3.422 -7.973 1.00 0.00 N ATOM 629 CA PHE A 42 -2.250 -3.119 -8.155 1.00 0.00 C ATOM 630 C PHE A 42 -2.555 -1.674 -7.753 1.00 0.00 C ATOM 631 O PHE A 42 -3.103 -0.909 -8.545 1.00 0.00 O ATOM 632 CB PHE A 42 -3.032 -4.065 -7.243 1.00 0.00 C ATOM 633 CG PHE A 42 -4.477 -4.305 -7.687 1.00 0.00 C ATOM 634 CD1 PHE A 42 -5.286 -3.248 -7.966 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.951 -5.574 -7.803 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.627 -3.470 -8.378 1.00 0.00 C ATOM 637 CE2 PHE A 42 -6.292 -5.796 -8.216 1.00 0.00 C ATOM 638 CZ PHE A 42 -7.101 -4.739 -8.495 1.00 0.00 C ATOM 0 H PHE A 42 -0.646 -4.153 -7.288 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.526 -3.243 -9.202 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.513 -5.022 -7.199 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.036 -3.658 -6.232 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.909 -2.240 -7.874 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.308 -6.413 -7.581 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.270 -2.631 -8.598 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.669 -6.804 -8.308 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.120 -4.908 -8.810 1.00 0.00 H new ATOM 648 N ALA A 43 -2.188 -1.345 -6.523 1.00 0.00 N ATOM 649 CA ALA A 43 -2.416 -0.006 -6.007 1.00 0.00 C ATOM 650 C ALA A 43 -1.746 1.013 -6.931 1.00 0.00 C ATOM 651 O ALA A 43 -2.129 2.181 -6.954 1.00 0.00 O ATOM 652 CB ALA A 43 -1.900 0.082 -4.570 1.00 0.00 C ATOM 0 H ALA A 43 -1.734 -1.983 -5.869 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.482 0.220 -5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.071 1.086 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.428 -0.641 -3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.832 -0.137 -4.553 1.00 0.00 H new ATOM 658 N ALA A 44 -0.757 0.533 -7.670 1.00 0.00 N ATOM 659 CA ALA A 44 -0.030 1.387 -8.593 1.00 0.00 C ATOM 660 C ALA A 44 -0.871 1.603 -9.852 1.00 0.00 C ATOM 661 O ALA A 44 -1.400 2.692 -10.071 1.00 0.00 O ATOM 662 CB ALA A 44 1.332 0.763 -8.902 1.00 0.00 C ATOM 0 H ALA A 44 -0.442 -0.437 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 44 0.153 2.365 -8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.877 1.404 -9.595 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.902 0.658 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.188 -0.219 -9.353 1.00 0.00 H new ATOM 668 N GLU A 45 -0.970 0.548 -10.648 1.00 0.00 N ATOM 669 CA GLU A 45 -1.738 0.608 -11.879 1.00 0.00 C ATOM 670 C GLU A 45 -3.096 1.267 -11.626 1.00 0.00 C ATOM 671 O GLU A 45 -3.624 1.962 -12.493 1.00 0.00 O ATOM 672 CB GLU A 45 -1.910 -0.785 -12.487 1.00 0.00 C ATOM 673 CG GLU A 45 -2.484 -1.764 -11.461 1.00 0.00 C ATOM 674 CD GLU A 45 -4.013 -1.798 -11.532 1.00 0.00 C ATOM 675 OE1 GLU A 45 -4.577 -0.826 -12.078 1.00 0.00 O ATOM 676 OE2 GLU A 45 -4.582 -2.796 -11.038 1.00 0.00 O ATOM 0 H GLU A 45 -0.530 -0.354 -10.464 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.189 1.216 -12.597 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.572 -0.729 -13.351 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.948 -1.151 -12.845 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.086 -2.762 -11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.169 -1.473 -10.459 1.00 0.00 H new ATOM 683 N GLU A 46 -3.622 1.025 -10.435 1.00 0.00 N ATOM 684 CA GLU A 46 -4.908 1.586 -10.057 1.00 0.00 C ATOM 685 C GLU A 46 -4.881 3.111 -10.186 1.00 0.00 C ATOM 686 O GLU A 46 -5.854 3.717 -10.633 1.00 0.00 O ATOM 687 CB GLU A 46 -5.295 1.164 -8.638 1.00 0.00 C ATOM 688 CG GLU A 46 -6.324 0.031 -8.665 1.00 0.00 C ATOM 689 CD GLU A 46 -7.671 0.527 -9.194 1.00 0.00 C ATOM 690 OE1 GLU A 46 -7.844 0.488 -10.431 1.00 0.00 O ATOM 691 OE2 GLU A 46 -8.498 0.933 -8.349 1.00 0.00 O ATOM 0 H GLU A 46 -3.181 0.448 -9.719 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.666 1.196 -10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.407 0.840 -8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.704 2.019 -8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.959 -0.782 -9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.450 -0.374 -7.661 1.00 0.00 H new ATOM 698 N PHE A 47 -3.756 3.687 -9.788 1.00 0.00 N ATOM 699 CA PHE A 47 -3.589 5.128 -9.854 1.00 0.00 C ATOM 700 C PHE A 47 -2.859 5.538 -11.135 1.00 0.00 C ATOM 701 O PHE A 47 -2.480 6.697 -11.294 1.00 0.00 O ATOM 702 CB PHE A 47 -2.743 5.537 -8.646 1.00 0.00 C ATOM 703 CG PHE A 47 -3.541 5.687 -7.350 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.599 6.540 -7.297 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.193 4.968 -6.249 1.00 0.00 C ATOM 706 CE1 PHE A 47 -5.340 6.680 -6.094 1.00 0.00 C ATOM 707 CE2 PHE A 47 -3.933 5.107 -5.046 1.00 0.00 C ATOM 708 CZ PHE A 47 -4.991 5.961 -4.993 1.00 0.00 C ATOM 0 H PHE A 47 -2.951 3.181 -9.419 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.564 5.615 -9.852 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.961 4.793 -8.495 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.246 6.482 -8.866 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.876 7.111 -8.171 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.353 4.291 -6.290 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.180 7.357 -6.053 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.656 4.535 -4.173 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.553 6.068 -4.077 1.00 0.00 H new ATOM 718 N LYS A 48 -2.685 4.564 -12.016 1.00 0.00 N ATOM 719 CA LYS A 48 -2.007 4.808 -13.277 1.00 0.00 C ATOM 720 C LYS A 48 -0.577 5.276 -13.001 1.00 0.00 C ATOM 721 O LYS A 48 -0.080 6.188 -13.660 1.00 0.00 O ATOM 722 CB LYS A 48 -2.816 5.779 -14.140 1.00 0.00 C ATOM 723 CG LYS A 48 -3.961 5.056 -14.852 1.00 0.00 C ATOM 724 CD LYS A 48 -5.279 5.241 -14.097 1.00 0.00 C ATOM 725 CE LYS A 48 -6.472 5.177 -15.052 1.00 0.00 C ATOM 726 NZ LYS A 48 -7.703 4.802 -14.321 1.00 0.00 N ATOM 0 H LYS A 48 -3.002 3.604 -11.881 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.935 3.887 -13.855 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.217 6.578 -13.516 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.163 6.247 -14.876 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.062 5.439 -15.867 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.730 3.994 -14.934 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.377 4.468 -13.335 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.274 6.200 -13.579 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.610 6.144 -15.536 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.275 4.451 -15.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.503 4.763 -14.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.574 3.869 -13.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.898 5.510 -13.584 1.00 0.00 H new ATOM 740 N VAL A 49 0.045 4.630 -12.025 1.00 0.00 N ATOM 741 CA VAL A 49 1.408 4.969 -11.654 1.00 0.00 C ATOM 742 C VAL A 49 2.325 3.784 -11.962 1.00 0.00 C ATOM 743 O VAL A 49 1.867 2.646 -12.050 1.00 0.00 O ATOM 744 CB VAL A 49 1.459 5.399 -10.186 1.00 0.00 C ATOM 745 CG1 VAL A 49 0.644 6.674 -9.960 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.981 4.272 -9.268 1.00 0.00 C ATOM 0 H VAL A 49 -0.370 3.874 -11.480 1.00 0.00 H new ATOM 0 HA VAL A 49 1.764 5.817 -12.240 1.00 0.00 H new ATOM 0 HB VAL A 49 2.497 5.617 -9.936 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.697 6.958 -8.909 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.049 7.478 -10.574 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.395 6.495 -10.236 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.027 4.603 -8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.046 4.009 -9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.621 3.400 -9.399 1.00 0.00 H new ATOM 756 N PRO A 50 3.639 4.099 -12.122 1.00 0.00 N ATOM 757 CA PRO A 50 4.624 3.074 -12.418 1.00 0.00 C ATOM 758 C PRO A 50 4.940 2.241 -11.174 1.00 0.00 C ATOM 759 O PRO A 50 5.208 2.791 -10.106 1.00 0.00 O ATOM 760 CB PRO A 50 5.831 3.830 -12.949 1.00 0.00 C ATOM 761 CG PRO A 50 5.653 5.270 -12.497 1.00 0.00 C ATOM 762 CD PRO A 50 4.217 5.436 -12.025 1.00 0.00 C ATOM 0 HA PRO A 50 4.270 2.350 -13.152 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.758 3.410 -12.558 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.885 3.766 -14.036 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.349 5.506 -11.692 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.868 5.957 -13.316 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.177 5.812 -11.003 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.675 6.148 -12.648 1.00 0.00 H new ATOM 770 N ALA A 51 4.899 0.929 -11.353 1.00 0.00 N ATOM 771 CA ALA A 51 5.178 0.015 -10.258 1.00 0.00 C ATOM 772 C ALA A 51 6.683 -0.250 -10.191 1.00 0.00 C ATOM 773 O ALA A 51 7.111 -1.397 -10.078 1.00 0.00 O ATOM 774 CB ALA A 51 4.367 -1.269 -10.446 1.00 0.00 C ATOM 0 H ALA A 51 4.677 0.477 -12.240 1.00 0.00 H new ATOM 0 HA ALA A 51 4.878 0.453 -9.306 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.576 -1.955 -9.625 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.304 -1.029 -10.457 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.643 -1.739 -11.390 1.00 0.00 H new ATOM 780 N ALA A 52 7.446 0.831 -10.265 1.00 0.00 N ATOM 781 CA ALA A 52 8.894 0.730 -10.214 1.00 0.00 C ATOM 782 C ALA A 52 9.431 1.688 -9.149 1.00 0.00 C ATOM 783 O ALA A 52 10.229 1.294 -8.300 1.00 0.00 O ATOM 784 CB ALA A 52 9.475 1.015 -11.601 1.00 0.00 C ATOM 0 H ALA A 52 7.088 1.781 -10.360 1.00 0.00 H new ATOM 0 HA ALA A 52 9.199 -0.278 -9.934 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.562 0.939 -11.563 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.085 0.289 -12.315 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.192 2.020 -11.914 1.00 0.00 H new ATOM 790 N THR A 53 8.972 2.928 -9.229 1.00 0.00 N ATOM 791 CA THR A 53 9.397 3.946 -8.282 1.00 0.00 C ATOM 792 C THR A 53 8.289 4.222 -7.264 1.00 0.00 C ATOM 793 O THR A 53 8.058 5.370 -6.889 1.00 0.00 O ATOM 794 CB THR A 53 9.815 5.185 -9.076 1.00 0.00 C ATOM 795 OG1 THR A 53 8.650 5.532 -9.819 1.00 0.00 O ATOM 796 CG2 THR A 53 10.860 4.868 -10.148 1.00 0.00 C ATOM 0 H THR A 53 8.310 3.251 -9.935 1.00 0.00 H new ATOM 0 HA THR A 53 10.255 3.611 -7.699 1.00 0.00 H new ATOM 0 HB THR A 53 10.211 5.936 -8.393 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.833 6.328 -10.361 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.122 5.781 -10.682 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.752 4.455 -9.676 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.452 4.141 -10.850 1.00 0.00 H new ATOM 804 N SER A 54 7.632 3.150 -6.845 1.00 0.00 N ATOM 805 CA SER A 54 6.554 3.262 -5.878 1.00 0.00 C ATOM 806 C SER A 54 6.643 2.123 -4.860 1.00 0.00 C ATOM 807 O SER A 54 7.115 1.034 -5.182 1.00 0.00 O ATOM 808 CB SER A 54 5.190 3.250 -6.570 1.00 0.00 C ATOM 809 OG SER A 54 5.247 3.825 -7.873 1.00 0.00 O ATOM 0 H SER A 54 7.826 2.199 -7.158 1.00 0.00 H new ATOM 0 HA SER A 54 6.659 4.214 -5.358 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.829 2.224 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.471 3.799 -5.963 1.00 0.00 H new ATOM 0 HG SER A 54 5.226 3.113 -8.546 1.00 0.00 H new ATOM 815 N ALA A 55 6.182 2.414 -3.653 1.00 0.00 N ATOM 816 CA ALA A 55 6.204 1.427 -2.586 1.00 0.00 C ATOM 817 C ALA A 55 5.240 1.859 -1.479 1.00 0.00 C ATOM 818 O ALA A 55 4.991 3.049 -1.297 1.00 0.00 O ATOM 819 CB ALA A 55 7.637 1.256 -2.078 1.00 0.00 C ATOM 0 H ALA A 55 5.791 3.319 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 55 5.871 0.456 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.654 0.516 -1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.275 0.921 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.005 2.209 -1.698 1.00 0.00 H new ATOM 825 N ILE A 56 4.724 0.867 -0.768 1.00 0.00 N ATOM 826 CA ILE A 56 3.794 1.129 0.317 1.00 0.00 C ATOM 827 C ILE A 56 4.551 1.124 1.646 1.00 0.00 C ATOM 828 O ILE A 56 5.391 0.256 1.883 1.00 0.00 O ATOM 829 CB ILE A 56 2.626 0.141 0.271 1.00 0.00 C ATOM 830 CG1 ILE A 56 1.814 0.311 -1.015 1.00 0.00 C ATOM 831 CG2 ILE A 56 1.752 0.267 1.521 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.419 -1.047 -1.597 1.00 0.00 C ATOM 0 H ILE A 56 4.932 -0.119 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 56 3.350 2.118 0.207 1.00 0.00 H new ATOM 0 HB ILE A 56 3.034 -0.870 0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.918 0.897 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.398 0.869 -1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.929 -0.446 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.352 0.058 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.351 1.279 1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.843 -0.898 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.318 -1.621 -1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.815 -1.592 -0.872 1.00 0.00 H new ATOM 844 N ILE A 57 4.228 2.102 2.479 1.00 0.00 N ATOM 845 CA ILE A 57 4.868 2.222 3.778 1.00 0.00 C ATOM 846 C ILE A 57 3.797 2.414 4.853 1.00 0.00 C ATOM 847 O ILE A 57 2.631 2.648 4.538 1.00 0.00 O ATOM 848 CB ILE A 57 5.923 3.329 3.756 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.291 4.682 3.422 1.00 0.00 C ATOM 850 CG2 ILE A 57 7.066 2.979 2.801 1.00 0.00 C ATOM 851 CD1 ILE A 57 6.118 5.832 4.001 1.00 0.00 C ATOM 0 H ILE A 57 3.531 2.819 2.280 1.00 0.00 H new ATOM 0 HA ILE A 57 5.406 1.306 4.023 1.00 0.00 H new ATOM 0 HB ILE A 57 6.352 3.411 4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.213 4.794 2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.277 4.722 3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.802 3.783 2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.539 2.052 3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.672 2.852 1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.647 6.782 3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.173 5.731 5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.124 5.804 3.582 1.00 0.00 H new ATOM 863 N THR A 58 4.230 2.308 6.101 1.00 0.00 N ATOM 864 CA THR A 58 3.323 2.467 7.225 1.00 0.00 C ATOM 865 C THR A 58 3.185 3.946 7.593 1.00 0.00 C ATOM 866 O THR A 58 3.651 4.818 6.861 1.00 0.00 O ATOM 867 CB THR A 58 3.838 1.600 8.375 1.00 0.00 C ATOM 868 OG1 THR A 58 5.146 2.105 8.631 1.00 0.00 O ATOM 869 CG2 THR A 58 4.075 0.148 7.953 1.00 0.00 C ATOM 0 H THR A 58 5.198 2.114 6.358 1.00 0.00 H new ATOM 0 HA THR A 58 2.317 2.132 6.972 1.00 0.00 H new ATOM 0 HB THR A 58 3.124 1.627 9.198 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.364 1.983 9.579 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.440 -0.424 8.806 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.140 -0.285 7.599 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.815 0.118 7.153 1.00 0.00 H new ATOM 877 N ASN A 59 2.543 4.183 8.728 1.00 0.00 N ATOM 878 CA ASN A 59 2.338 5.541 9.202 1.00 0.00 C ATOM 879 C ASN A 59 3.468 5.917 10.163 1.00 0.00 C ATOM 880 O ASN A 59 3.281 6.746 11.052 1.00 0.00 O ATOM 881 CB ASN A 59 1.014 5.666 9.958 1.00 0.00 C ATOM 882 CG ASN A 59 0.878 4.565 11.012 1.00 0.00 C ATOM 883 OD1 ASN A 59 1.488 4.602 12.067 1.00 0.00 O ATOM 884 ND2 ASN A 59 0.045 3.587 10.668 1.00 0.00 N ATOM 0 H ASN A 59 2.158 3.457 9.333 1.00 0.00 H new ATOM 0 HA ASN A 59 2.323 6.202 8.336 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.956 6.643 10.438 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.183 5.606 9.255 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.115 2.806 11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.434 3.618 9.768 1.00 0.00 H new ATOM 891 N ASP A 60 4.615 5.289 9.951 1.00 0.00 N ATOM 892 CA ASP A 60 5.775 5.547 10.787 1.00 0.00 C ATOM 893 C ASP A 60 7.017 5.679 9.903 1.00 0.00 C ATOM 894 O ASP A 60 8.142 5.547 10.383 1.00 0.00 O ATOM 895 CB ASP A 60 6.014 4.398 11.769 1.00 0.00 C ATOM 896 CG ASP A 60 6.118 4.814 13.237 1.00 0.00 C ATOM 897 OD1 ASP A 60 7.001 5.649 13.529 1.00 0.00 O ATOM 898 OD2 ASP A 60 5.314 4.286 14.035 1.00 0.00 O ATOM 0 H ASP A 60 4.766 4.602 9.212 1.00 0.00 H new ATOM 0 HA ASP A 60 5.590 6.465 11.345 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.202 3.678 11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.933 3.884 11.487 1.00 0.00 H new ATOM 903 N GLY A 61 6.771 5.937 8.627 1.00 0.00 N ATOM 904 CA GLY A 61 7.855 6.088 7.671 1.00 0.00 C ATOM 905 C GLY A 61 8.674 4.800 7.563 1.00 0.00 C ATOM 906 O GLY A 61 9.826 4.827 7.133 1.00 0.00 O ATOM 0 H GLY A 61 5.837 6.045 8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.449 6.348 6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.502 6.910 7.976 1.00 0.00 H new ATOM 910 N ILE A 62 8.047 3.703 7.961 1.00 0.00 N ATOM 911 CA ILE A 62 8.703 2.407 7.914 1.00 0.00 C ATOM 912 C ILE A 62 8.164 1.610 6.725 1.00 0.00 C ATOM 913 O ILE A 62 6.961 1.611 6.466 1.00 0.00 O ATOM 914 CB ILE A 62 8.558 1.685 9.255 1.00 0.00 C ATOM 915 CG1 ILE A 62 9.584 2.197 10.268 1.00 0.00 C ATOM 916 CG2 ILE A 62 8.641 0.168 9.072 1.00 0.00 C ATOM 917 CD1 ILE A 62 9.192 1.804 11.693 1.00 0.00 C ATOM 0 H ILE A 62 7.092 3.685 8.318 1.00 0.00 H new ATOM 0 HA ILE A 62 9.775 2.528 7.757 1.00 0.00 H new ATOM 0 HB ILE A 62 7.570 1.908 9.658 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.567 1.790 10.032 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.662 3.282 10.195 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.535 -0.322 10.040 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.842 -0.163 8.409 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.605 -0.094 8.637 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.938 2.180 12.393 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.219 2.233 11.934 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.138 0.718 11.769 1.00 0.00 H new ATOM 929 N GLY A 63 9.080 0.949 6.032 1.00 0.00 N ATOM 930 CA GLY A 63 8.712 0.150 4.876 1.00 0.00 C ATOM 931 C GLY A 63 7.923 -1.092 5.297 1.00 0.00 C ATOM 932 O GLY A 63 7.524 -1.216 6.454 1.00 0.00 O ATOM 0 H GLY A 63 10.077 0.951 6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.114 0.750 4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.610 -0.151 4.336 1.00 0.00 H new ATOM 936 N ILE A 64 7.722 -1.981 4.335 1.00 0.00 N ATOM 937 CA ILE A 64 6.989 -3.208 4.592 1.00 0.00 C ATOM 938 C ILE A 64 7.690 -4.372 3.888 1.00 0.00 C ATOM 939 O ILE A 64 8.241 -4.204 2.801 1.00 0.00 O ATOM 940 CB ILE A 64 5.519 -3.047 4.198 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.883 -1.862 4.928 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.744 -4.346 4.427 1.00 0.00 C ATOM 943 CD1 ILE A 64 3.443 -1.641 4.462 1.00 0.00 C ATOM 0 H ILE A 64 8.054 -1.875 3.376 1.00 0.00 H new ATOM 0 HA ILE A 64 6.986 -3.434 5.658 1.00 0.00 H new ATOM 0 HB ILE A 64 5.473 -2.830 3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.898 -2.042 6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.470 -0.961 4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.702 -4.204 4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.182 -5.142 3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.795 -4.619 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.014 -0.793 4.996 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.434 -1.437 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.853 -2.535 4.666 1.00 0.00 H new ATOM 955 N ASN A 65 7.646 -5.527 4.537 1.00 0.00 N ATOM 956 CA ASN A 65 8.269 -6.718 3.987 1.00 0.00 C ATOM 957 C ASN A 65 7.193 -7.768 3.704 1.00 0.00 C ATOM 958 O ASN A 65 6.650 -8.371 4.629 1.00 0.00 O ATOM 959 CB ASN A 65 9.270 -7.321 4.974 1.00 0.00 C ATOM 960 CG ASN A 65 10.457 -6.381 5.195 1.00 0.00 C ATOM 961 OD1 ASN A 65 11.443 -6.404 4.477 1.00 0.00 O ATOM 962 ND2 ASN A 65 10.307 -5.555 6.227 1.00 0.00 N ATOM 0 H ASN A 65 7.188 -5.662 5.438 1.00 0.00 H new ATOM 0 HA ASN A 65 8.790 -6.434 3.073 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.775 -7.517 5.925 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.626 -8.279 4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.044 -4.888 6.458 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.455 -5.588 6.787 1.00 0.00 H new ATOM 969 N PRO A 66 6.909 -7.960 2.388 1.00 0.00 N ATOM 970 CA PRO A 66 5.907 -8.927 1.973 1.00 0.00 C ATOM 971 C PRO A 66 6.437 -10.357 2.102 1.00 0.00 C ATOM 972 O PRO A 66 6.368 -11.136 1.154 1.00 0.00 O ATOM 973 CB PRO A 66 5.565 -8.548 0.541 1.00 0.00 C ATOM 974 CG PRO A 66 6.715 -7.681 0.053 1.00 0.00 C ATOM 975 CD PRO A 66 7.531 -7.265 1.266 1.00 0.00 C ATOM 0 HA PRO A 66 5.016 -8.906 2.601 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.453 -9.436 -0.082 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.621 -8.006 0.495 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.335 -8.232 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.336 -6.804 -0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.577 -7.549 1.155 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.507 -6.184 1.407 1.00 0.00 H new ATOM 983 N ALA A 67 6.954 -10.657 3.285 1.00 0.00 N ATOM 984 CA ALA A 67 7.495 -11.979 3.551 1.00 0.00 C ATOM 985 C ALA A 67 6.406 -12.856 4.171 1.00 0.00 C ATOM 986 O ALA A 67 6.705 -13.865 4.808 1.00 0.00 O ATOM 987 CB ALA A 67 8.727 -11.854 4.451 1.00 0.00 C ATOM 0 H ALA A 67 7.010 -10.007 4.069 1.00 0.00 H new ATOM 0 HA ALA A 67 7.815 -12.457 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.134 -12.845 4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.482 -11.246 3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.444 -11.381 5.392 1.00 0.00 H new ATOM 993 N GLN A 68 5.166 -12.439 3.964 1.00 0.00 N ATOM 994 CA GLN A 68 4.030 -13.174 4.495 1.00 0.00 C ATOM 995 C GLN A 68 2.745 -12.754 3.780 1.00 0.00 C ATOM 996 O GLN A 68 2.744 -11.796 3.009 1.00 0.00 O ATOM 997 CB GLN A 68 3.907 -12.975 6.007 1.00 0.00 C ATOM 998 CG GLN A 68 4.144 -11.512 6.389 1.00 0.00 C ATOM 999 CD GLN A 68 5.625 -11.253 6.674 1.00 0.00 C ATOM 1000 OE1 GLN A 68 6.361 -12.123 7.111 1.00 0.00 O ATOM 1001 NE2 GLN A 68 6.019 -10.013 6.402 1.00 0.00 N ATOM 0 H GLN A 68 4.922 -11.601 3.436 1.00 0.00 H new ATOM 0 HA GLN A 68 4.192 -14.236 4.314 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.916 -13.285 6.339 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.629 -13.610 6.521 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.806 -10.862 5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.551 -11.261 7.269 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.351 -9.334 6.038 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.990 -9.741 6.557 1.00 0.00 H new ATOM 1010 N THR A 69 1.681 -13.492 4.062 1.00 0.00 N ATOM 1011 CA THR A 69 0.391 -13.208 3.455 1.00 0.00 C ATOM 1012 C THR A 69 -0.031 -11.767 3.749 1.00 0.00 C ATOM 1013 O THR A 69 0.252 -11.241 4.825 1.00 0.00 O ATOM 1014 CB THR A 69 -0.609 -14.250 3.961 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.676 -14.014 5.364 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.073 -15.678 3.849 1.00 0.00 C ATOM 0 H THR A 69 1.686 -14.286 4.702 1.00 0.00 H new ATOM 0 HA THR A 69 0.439 -13.284 2.369 1.00 0.00 H new ATOM 0 HB THR A 69 -1.538 -14.165 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.304 -14.646 5.772 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.821 -16.378 4.221 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.147 -15.903 2.805 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.838 -15.772 4.440 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.702 -11.170 2.775 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.166 -9.801 2.916 1.00 0.00 C ATOM 1026 C ALA A 70 -1.876 -9.643 4.263 1.00 0.00 C ATOM 1027 O ALA A 70 -1.701 -8.636 4.947 1.00 0.00 O ATOM 1028 CB ALA A 70 -2.071 -9.444 1.735 1.00 0.00 C ATOM 0 H ALA A 70 -0.935 -11.610 1.885 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.325 -9.108 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.419 -8.417 1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.512 -9.543 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.928 -10.117 1.717 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.661 -10.655 4.603 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.398 -10.642 5.855 1.00 0.00 C ATOM 1036 C GLY A 71 -2.447 -10.546 7.050 1.00 0.00 C ATOM 1037 O GLY A 71 -2.841 -10.102 8.128 1.00 0.00 O ATOM 0 H GLY A 71 -2.803 -11.489 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.088 -9.798 5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.000 -11.547 5.936 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.213 -10.970 6.819 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.203 -10.939 7.863 1.00 0.00 C ATOM 1043 C ASN A 72 0.611 -9.649 7.740 1.00 0.00 C ATOM 1044 O ASN A 72 1.292 -9.248 8.682 1.00 0.00 O ATOM 1045 CB ASN A 72 0.761 -12.120 7.733 1.00 0.00 C ATOM 1046 CG ASN A 72 1.192 -12.630 9.109 1.00 0.00 C ATOM 1047 OD1 ASN A 72 0.433 -12.632 10.064 1.00 0.00 O ATOM 1048 ND2 ASN A 72 2.449 -13.061 9.157 1.00 0.00 N ATOM 0 H ASN A 72 -0.890 -11.337 5.924 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.711 -10.993 8.826 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.282 -12.925 7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.639 -11.816 7.162 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.832 -13.421 10.031 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.031 -13.031 8.320 1.00 0.00 H new ATOM 1055 N VAL A 73 0.512 -9.034 6.570 1.00 0.00 N ATOM 1056 CA VAL A 73 1.230 -7.797 6.312 1.00 0.00 C ATOM 1057 C VAL A 73 0.342 -6.609 6.687 1.00 0.00 C ATOM 1058 O VAL A 73 0.794 -5.678 7.352 1.00 0.00 O ATOM 1059 CB VAL A 73 1.698 -7.758 4.856 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.274 -6.385 4.502 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.713 -8.868 4.576 1.00 0.00 C ATOM 0 H VAL A 73 -0.054 -9.369 5.791 1.00 0.00 H new ATOM 0 HA VAL A 73 2.127 -7.740 6.929 1.00 0.00 H new ATOM 0 HB VAL A 73 0.830 -7.931 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.599 -6.384 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.509 -5.622 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.125 -6.170 5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.029 -8.818 3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.580 -8.741 5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.254 -9.838 4.769 1.00 0.00 H new ATOM 1071 N PHE A 74 -0.905 -6.680 6.245 1.00 0.00 N ATOM 1072 CA PHE A 74 -1.860 -5.622 6.526 1.00 0.00 C ATOM 1073 C PHE A 74 -2.266 -5.627 8.001 1.00 0.00 C ATOM 1074 O PHE A 74 -2.854 -4.663 8.490 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.096 -5.896 5.668 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.249 -6.552 6.430 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.058 -7.742 7.061 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.466 -5.946 6.476 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.128 -8.351 7.768 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.536 -6.555 7.183 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.345 -7.744 7.814 1.00 0.00 C ATOM 0 H PHE A 74 -1.276 -7.454 5.694 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.417 -4.652 6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.445 -4.956 5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.812 -6.539 4.835 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.092 -8.224 7.024 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.618 -5.002 5.975 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.976 -9.296 8.269 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.502 -6.074 7.220 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.159 -8.207 8.352 1.00 0.00 H new ATOM 1091 N LEU A 75 -1.936 -6.723 8.669 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.259 -6.866 10.078 1.00 0.00 C ATOM 1093 C LEU A 75 -1.090 -6.350 10.920 1.00 0.00 C ATOM 1094 O LEU A 75 -1.282 -5.532 11.818 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.653 -8.311 10.393 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.215 -8.562 11.794 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -4.745 -8.591 11.774 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -2.626 -9.837 12.400 1.00 0.00 C ATOM 0 H LEU A 75 -1.448 -7.520 8.260 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.128 -6.260 10.333 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.395 -8.632 9.662 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.776 -8.944 10.256 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.917 -7.733 12.435 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.119 -8.771 12.782 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.122 -7.634 11.412 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.085 -9.388 11.113 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.042 -9.992 13.396 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.873 -10.689 11.766 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.543 -9.740 12.470 1.00 0.00 H new ATOM 1110 N LYS A 76 0.094 -6.849 10.599 1.00 0.00 N ATOM 1111 CA LYS A 76 1.294 -6.449 11.314 1.00 0.00 C ATOM 1112 C LYS A 76 1.558 -4.963 11.066 1.00 0.00 C ATOM 1113 O LYS A 76 1.916 -4.230 11.987 1.00 0.00 O ATOM 1114 CB LYS A 76 2.469 -7.354 10.939 1.00 0.00 C ATOM 1115 CG LYS A 76 3.102 -6.910 9.619 1.00 0.00 C ATOM 1116 CD LYS A 76 4.412 -7.658 9.360 1.00 0.00 C ATOM 1117 CE LYS A 76 4.297 -9.125 9.778 1.00 0.00 C ATOM 1118 NZ LYS A 76 4.627 -9.283 11.212 1.00 0.00 N ATOM 0 H LYS A 76 0.248 -7.527 9.853 1.00 0.00 H new ATOM 0 HA LYS A 76 1.157 -6.574 12.388 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.217 -7.332 11.731 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.126 -8.385 10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.407 -7.092 8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.291 -5.837 9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.667 -7.596 8.302 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.222 -7.181 9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.285 -9.485 9.590 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.969 -9.735 9.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.297 -10.070 11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.057 -8.406 11.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.759 -9.485 11.748 1.00 0.00 H new ATOM 1132 N HIS A 77 1.372 -4.562 9.817 1.00 0.00 N ATOM 1133 CA HIS A 77 1.586 -3.176 9.436 1.00 0.00 C ATOM 1134 C HIS A 77 0.295 -2.381 9.643 1.00 0.00 C ATOM 1135 O HIS A 77 0.310 -1.312 10.252 1.00 0.00 O ATOM 1136 CB HIS A 77 2.116 -3.082 8.004 1.00 0.00 C ATOM 1137 CG HIS A 77 3.451 -3.757 7.798 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.657 -3.130 8.061 1.00 0.00 N ATOM 1139 CD2 HIS A 77 3.758 -5.009 7.354 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.638 -3.975 7.783 1.00 0.00 C ATOM 1141 NE2 HIS A 77 5.079 -5.140 7.344 1.00 0.00 N ATOM 0 H HIS A 77 1.075 -5.173 9.056 1.00 0.00 H new ATOM 0 HA HIS A 77 2.350 -2.734 10.075 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.387 -3.528 7.328 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.205 -2.031 7.729 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.046 -5.766 7.060 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.695 -3.777 7.886 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.591 -5.974 7.056 1.00 0.00 H new ATOM 1149 N GLY A 78 -0.792 -2.935 9.126 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.089 -2.291 9.247 1.00 0.00 C ATOM 1151 C GLY A 78 -2.758 -2.144 7.878 1.00 0.00 C ATOM 1152 O GLY A 78 -2.182 -2.520 6.858 1.00 0.00 O ATOM 0 H GLY A 78 -0.801 -3.822 8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.729 -2.876 9.908 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.970 -1.309 9.705 1.00 0.00 H new ATOM 1156 N SER A 79 -3.964 -1.596 7.900 1.00 0.00 N ATOM 1157 CA SER A 79 -4.717 -1.394 6.674 1.00 0.00 C ATOM 1158 C SER A 79 -4.481 0.021 6.142 1.00 0.00 C ATOM 1159 O SER A 79 -4.227 0.207 4.953 1.00 0.00 O ATOM 1160 CB SER A 79 -6.211 -1.634 6.899 1.00 0.00 C ATOM 1161 OG SER A 79 -6.824 -0.560 7.606 1.00 0.00 O ATOM 0 H SER A 79 -4.438 -1.286 8.748 1.00 0.00 H new ATOM 0 HA SER A 79 -4.368 -2.116 5.936 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.706 -1.764 5.937 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.349 -2.561 7.456 1.00 0.00 H new ATOM 0 HG SER A 79 -7.778 -0.751 7.728 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.574 0.983 7.049 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.375 2.375 6.686 1.00 0.00 C ATOM 1169 C GLU A 80 -2.892 2.647 6.421 1.00 0.00 C ATOM 1170 O GLU A 80 -2.105 2.779 7.357 1.00 0.00 O ATOM 1171 CB GLU A 80 -4.918 3.308 7.769 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.448 3.292 7.790 1.00 0.00 C ATOM 1173 CD GLU A 80 -6.984 3.803 9.129 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -6.754 3.103 10.138 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.612 4.884 9.113 1.00 0.00 O ATOM 0 H GLU A 80 -4.785 0.825 8.034 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.931 2.574 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.534 3.003 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.564 4.323 7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.833 3.912 6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.807 2.278 7.614 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.557 2.724 5.142 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.183 2.978 4.742 1.00 0.00 C ATOM 1184 C LEU A 81 -1.165 4.033 3.634 1.00 0.00 C ATOM 1185 O LEU A 81 -2.217 4.437 3.140 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.486 1.671 4.359 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.862 0.442 5.189 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.793 -0.832 4.344 1.00 0.00 C ATOM 1189 CD2 LEU A 81 0.004 0.344 6.446 1.00 0.00 C ATOM 0 H LEU A 81 -3.213 2.615 4.369 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.612 3.384 5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.705 1.459 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.591 1.821 4.435 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.895 0.554 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.065 -1.691 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.486 -0.751 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.221 -0.963 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.284 -0.538 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.053 0.265 6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.139 1.235 7.057 1.00 0.00 H new ATOM 1201 N ARG A 82 0.041 4.448 3.275 1.00 0.00 N ATOM 1202 CA ARG A 82 0.209 5.448 2.235 1.00 0.00 C ATOM 1203 C ARG A 82 1.249 4.982 1.214 1.00 0.00 C ATOM 1204 O ARG A 82 2.220 4.316 1.572 1.00 0.00 O ATOM 1205 CB ARG A 82 0.649 6.789 2.825 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.538 7.533 3.440 1.00 0.00 C ATOM 1207 CD ARG A 82 -0.185 8.078 4.825 1.00 0.00 C ATOM 1208 NE ARG A 82 -1.285 7.796 5.775 1.00 0.00 N ATOM 1209 CZ ARG A 82 -2.487 8.387 5.729 1.00 0.00 C ATOM 1210 NH1 ARG A 82 -2.751 9.296 4.780 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -3.424 8.069 6.632 1.00 0.00 N ATOM 0 H ARG A 82 0.911 4.110 3.686 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.755 5.580 1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.412 6.623 3.585 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.103 7.402 2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.835 8.354 2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.393 6.861 3.517 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.739 7.622 5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.009 9.152 4.768 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.118 7.109 6.510 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -2.037 9.538 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -3.666 9.746 4.745 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.222 7.377 7.354 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.339 8.519 6.597 1.00 0.00 H new ATOM 1225 N ILE A 83 1.011 5.349 -0.036 1.00 0.00 N ATOM 1226 CA ILE A 83 1.915 4.977 -1.111 1.00 0.00 C ATOM 1227 C ILE A 83 2.899 6.121 -1.363 1.00 0.00 C ATOM 1228 O ILE A 83 2.495 7.224 -1.729 1.00 0.00 O ATOM 1229 CB ILE A 83 1.127 4.559 -2.354 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.903 3.526 -3.173 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.736 5.778 -3.191 1.00 0.00 C ATOM 1232 CD1 ILE A 83 0.975 2.779 -4.133 1.00 0.00 C ATOM 0 H ILE A 83 0.205 5.901 -0.329 1.00 0.00 H new ATOM 0 HA ILE A 83 2.505 4.105 -0.828 1.00 0.00 H new ATOM 0 HB ILE A 83 0.202 4.083 -2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.693 4.022 -3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.388 2.816 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.177 5.453 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.116 6.446 -2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.636 6.305 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.551 2.051 -4.703 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.201 2.264 -3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.510 3.490 -4.817 1.00 0.00 H new ATOM 1244 N ILE A 84 4.173 5.820 -1.157 1.00 0.00 N ATOM 1245 CA ILE A 84 5.218 6.810 -1.358 1.00 0.00 C ATOM 1246 C ILE A 84 6.142 6.348 -2.486 1.00 0.00 C ATOM 1247 O ILE A 84 6.224 5.155 -2.778 1.00 0.00 O ATOM 1248 CB ILE A 84 5.947 7.093 -0.043 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.813 5.901 0.372 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.961 7.495 1.056 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.257 6.082 -0.100 1.00 0.00 C ATOM 0 H ILE A 84 4.505 4.905 -0.853 1.00 0.00 H new ATOM 0 HA ILE A 84 4.787 7.762 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 84 6.617 7.939 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.792 5.792 1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.401 4.984 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.506 7.690 1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.426 8.395 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.248 6.686 1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.851 5.221 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.277 6.167 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.674 6.987 0.342 1.00 0.00 H new ATOM 1263 N PRO A 85 6.834 7.341 -3.106 1.00 0.00 N ATOM 1264 CA PRO A 85 7.749 7.049 -4.196 1.00 0.00 C ATOM 1265 C PRO A 85 9.045 6.427 -3.672 1.00 0.00 C ATOM 1266 O PRO A 85 9.518 6.785 -2.594 1.00 0.00 O ATOM 1267 CB PRO A 85 7.969 8.381 -4.893 1.00 0.00 C ATOM 1268 CG PRO A 85 7.543 9.448 -3.898 1.00 0.00 C ATOM 1269 CD PRO A 85 6.762 8.764 -2.787 1.00 0.00 C ATOM 0 HA PRO A 85 7.351 6.311 -4.893 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.014 8.506 -5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.381 8.444 -5.809 1.00 0.00 H new ATOM 0 HG2 PRO A 85 8.415 9.961 -3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.928 10.203 -4.388 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.197 8.973 -1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.729 9.111 -2.757 1.00 0.00 H new ATOM 1277 N ARG A 86 9.583 5.507 -4.458 1.00 0.00 N ATOM 1278 CA ARG A 86 10.815 4.832 -4.087 1.00 0.00 C ATOM 1279 C ARG A 86 11.908 5.118 -5.118 1.00 0.00 C ATOM 1280 O ARG A 86 11.619 5.310 -6.298 1.00 0.00 O ATOM 1281 CB ARG A 86 10.605 3.320 -3.982 1.00 0.00 C ATOM 1282 CG ARG A 86 11.677 2.677 -3.100 1.00 0.00 C ATOM 1283 CD ARG A 86 11.849 1.195 -3.438 1.00 0.00 C ATOM 1284 NE ARG A 86 11.111 0.364 -2.460 1.00 0.00 N ATOM 1285 CZ ARG A 86 11.506 0.163 -1.196 1.00 0.00 C ATOM 1286 NH1 ARG A 86 12.635 0.731 -0.748 1.00 0.00 N ATOM 1287 NH2 ARG A 86 10.774 -0.606 -0.379 1.00 0.00 N ATOM 0 H ARG A 86 9.188 5.213 -5.351 1.00 0.00 H new ATOM 0 HA ARG A 86 11.121 5.213 -3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.618 3.114 -3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.633 2.875 -4.977 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.625 3.197 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 86 11.402 2.785 -2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.482 0.998 -4.445 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.907 0.931 -3.427 1.00 0.00 H new ATOM 0 HE ARG A 86 10.248 -0.083 -2.768 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.193 1.316 -1.370 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.936 0.578 0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.915 -1.039 -0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.075 -0.759 0.583 1.00 0.00 H new