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=0.000461 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -62:sc= 0.372 USER MOD Single : A 18 THR OG1 : rot -86:sc= 0.106 USER MOD Single : A 19 SER OG : rot 180:sc=-0.00232 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -117:sc= -1.02 (180deg=-4.02!) USER MOD Single : A 29 SER OG : rot 38:sc= 0.0806 USER MOD Single : A 33 SER OG : rot 180:sc= -0.584 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= 0.0154 USER MOD Single : A 54 SER OG : rot 106:sc= 0.229 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.243 USER MOD Single : A 59 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.66) USER MOD Single : A 65 ASN : amide:sc= -0.0569 X(o=-0.057,f=-0.32) USER MOD Single : A 68 GLN : amide:sc= -4! C(o=-4!,f=-2.5!) USER MOD Single : A 69 THR OG1 : rot -120:sc= -1.22 USER MOD Single : A 72 ASN : amide:sc= -0.0443 X(o=-0.044,f=-0.34) USER MOD Single : A 76 LYS NZ :NH3+ -141:sc= -0.848 (180deg=-2.74!) USER MOD Single : A 77 HIS : no HD1:sc= -13.2! C(o=-13!,f=-13!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -11.930 -15.411 3.682 1.00 0.00 N ATOM 93 CA SER A 9 -11.116 -14.434 4.383 1.00 0.00 C ATOM 94 C SER A 9 -10.466 -13.478 3.380 1.00 0.00 C ATOM 95 O SER A 9 -9.646 -13.894 2.563 1.00 0.00 O ATOM 96 CB SER A 9 -10.045 -15.118 5.234 1.00 0.00 C ATOM 97 OG SER A 9 -10.454 -15.264 6.592 1.00 0.00 O ATOM 0 HA SER A 9 -11.764 -13.866 5.050 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.821 -16.099 4.815 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.124 -14.537 5.193 1.00 0.00 H new ATOM 0 HG SER A 9 -9.744 -15.706 7.102 1.00 0.00 H new ATOM 103 N LYS A 10 -10.856 -12.216 3.475 1.00 0.00 N ATOM 104 CA LYS A 10 -10.322 -11.198 2.587 1.00 0.00 C ATOM 105 C LYS A 10 -9.787 -10.031 3.418 1.00 0.00 C ATOM 106 O LYS A 10 -10.070 -9.933 4.611 1.00 0.00 O ATOM 107 CB LYS A 10 -11.371 -10.786 1.552 1.00 0.00 C ATOM 108 CG LYS A 10 -11.340 -11.718 0.339 1.00 0.00 C ATOM 109 CD LYS A 10 -11.799 -10.988 -0.925 1.00 0.00 C ATOM 110 CE LYS A 10 -11.727 -11.907 -2.146 1.00 0.00 C ATOM 111 NZ LYS A 10 -12.161 -11.186 -3.364 1.00 0.00 N ATOM 0 H LYS A 10 -11.536 -11.875 4.154 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.482 -11.594 2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.362 -10.806 2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.188 -9.760 1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.329 -12.101 0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.984 -12.579 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.821 -10.632 -0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.174 -10.110 -1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.708 -12.270 -2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.359 -12.781 -1.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.106 -11.824 -4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.141 -10.860 -3.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.541 -10.366 -3.522 1.00 0.00 H new ATOM 125 N VAL A 11 -9.023 -9.175 2.756 1.00 0.00 N ATOM 126 CA VAL A 11 -8.446 -8.018 3.419 1.00 0.00 C ATOM 127 C VAL A 11 -8.482 -6.820 2.468 1.00 0.00 C ATOM 128 O VAL A 11 -8.043 -6.918 1.323 1.00 0.00 O ATOM 129 CB VAL A 11 -7.036 -8.347 3.913 1.00 0.00 C ATOM 130 CG1 VAL A 11 -7.074 -9.425 4.999 1.00 0.00 C ATOM 131 CG2 VAL A 11 -6.133 -8.769 2.752 1.00 0.00 C ATOM 0 H VAL A 11 -8.790 -9.260 1.767 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.030 -7.752 4.300 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.615 -7.443 4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.059 -9.641 5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.666 -9.071 5.843 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.524 -10.332 4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.137 -8.997 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.550 -9.653 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.069 -7.957 2.027 1.00 0.00 H new ATOM 141 N SER A 12 -9.009 -5.716 2.977 1.00 0.00 N ATOM 142 CA SER A 12 -9.107 -4.500 2.188 1.00 0.00 C ATOM 143 C SER A 12 -8.076 -3.478 2.670 1.00 0.00 C ATOM 144 O SER A 12 -8.073 -3.100 3.841 1.00 0.00 O ATOM 145 CB SER A 12 -10.516 -3.908 2.261 1.00 0.00 C ATOM 146 OG SER A 12 -11.348 -4.621 3.173 1.00 0.00 O ATOM 0 H SER A 12 -9.373 -5.638 3.927 1.00 0.00 H new ATOM 0 HA SER A 12 -8.901 -4.751 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.455 -2.863 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.968 -3.924 1.269 1.00 0.00 H new ATOM 0 HG SER A 12 -12.238 -4.211 3.192 1.00 0.00 H new ATOM 152 N PHE A 13 -7.227 -3.059 1.744 1.00 0.00 N ATOM 153 CA PHE A 13 -6.194 -2.088 2.060 1.00 0.00 C ATOM 154 C PHE A 13 -6.617 -0.680 1.637 1.00 0.00 C ATOM 155 O PHE A 13 -6.839 -0.423 0.455 1.00 0.00 O ATOM 156 CB PHE A 13 -4.945 -2.490 1.273 1.00 0.00 C ATOM 157 CG PHE A 13 -4.773 -4.002 1.109 1.00 0.00 C ATOM 158 CD1 PHE A 13 -4.167 -4.727 2.086 1.00 0.00 C ATOM 159 CD2 PHE A 13 -5.227 -4.620 -0.014 1.00 0.00 C ATOM 160 CE1 PHE A 13 -4.007 -6.130 1.934 1.00 0.00 C ATOM 161 CE2 PHE A 13 -5.068 -6.023 -0.166 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.461 -6.748 0.811 1.00 0.00 C ATOM 0 H PHE A 13 -7.233 -3.374 0.774 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.011 -2.076 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.986 -2.030 0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.066 -2.087 1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.807 -4.236 2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.708 -4.044 -0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.525 -6.706 2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.429 -6.514 -1.058 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.339 -7.815 0.695 1.00 0.00 H new ATOM 172 N LYS A 14 -6.715 0.196 2.626 1.00 0.00 N ATOM 173 CA LYS A 14 -7.108 1.572 2.371 1.00 0.00 C ATOM 174 C LYS A 14 -5.855 2.425 2.160 1.00 0.00 C ATOM 175 O LYS A 14 -5.170 2.776 3.120 1.00 0.00 O ATOM 176 CB LYS A 14 -8.020 2.085 3.488 1.00 0.00 C ATOM 177 CG LYS A 14 -8.883 3.249 2.999 1.00 0.00 C ATOM 178 CD LYS A 14 -10.054 3.502 3.952 1.00 0.00 C ATOM 179 CE LYS A 14 -11.391 3.400 3.216 1.00 0.00 C ATOM 180 NZ LYS A 14 -12.001 4.740 3.062 1.00 0.00 N ATOM 0 H LYS A 14 -6.529 -0.020 3.605 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.696 1.637 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.660 1.276 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.416 2.407 4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.274 4.149 2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.262 3.031 2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.027 2.779 4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.956 4.491 4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.240 2.948 2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.068 2.747 3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.908 4.653 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.163 5.158 4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.361 5.352 2.517 1.00 0.00 H new ATOM 194 N ILE A 15 -5.594 2.733 0.899 1.00 0.00 N ATOM 195 CA ILE A 15 -4.435 3.538 0.550 1.00 0.00 C ATOM 196 C ILE A 15 -4.903 4.849 -0.085 1.00 0.00 C ATOM 197 O ILE A 15 -6.010 4.925 -0.617 1.00 0.00 O ATOM 198 CB ILE A 15 -3.472 2.738 -0.330 1.00 0.00 C ATOM 199 CG1 ILE A 15 -3.192 1.361 0.275 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.185 3.523 -0.589 1.00 0.00 C ATOM 201 CD1 ILE A 15 -3.118 0.288 -0.814 1.00 0.00 C ATOM 0 H ILE A 15 -6.165 2.440 0.106 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.870 3.800 1.444 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.949 2.574 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.254 1.387 0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.976 1.107 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.518 2.932 -1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.425 4.458 -1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.693 3.739 0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.918 -0.681 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.066 0.248 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.317 0.532 -1.512 1.00 0.00 H new ATOM 213 N THR A 16 -4.037 5.849 -0.008 1.00 0.00 N ATOM 214 CA THR A 16 -4.347 7.153 -0.569 1.00 0.00 C ATOM 215 C THR A 16 -3.123 7.734 -1.278 1.00 0.00 C ATOM 216 O THR A 16 -2.044 7.818 -0.693 1.00 0.00 O ATOM 217 CB THR A 16 -4.873 8.040 0.562 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.214 7.598 0.755 1.00 0.00 O ATOM 219 CG2 THR A 16 -5.019 9.503 0.138 1.00 0.00 C ATOM 0 H THR A 16 -3.120 5.782 0.435 1.00 0.00 H new ATOM 0 HA THR A 16 -5.121 7.081 -1.333 1.00 0.00 H new ATOM 0 HB THR A 16 -4.200 7.976 1.417 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.730 7.751 -0.064 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.395 10.089 0.977 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.048 9.891 -0.169 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.718 9.572 -0.696 1.00 0.00 H new ATOM 227 N LEU A 17 -3.330 8.119 -2.528 1.00 0.00 N ATOM 228 CA LEU A 17 -2.257 8.690 -3.324 1.00 0.00 C ATOM 229 C LEU A 17 -1.804 10.008 -2.691 1.00 0.00 C ATOM 230 O LEU A 17 -2.608 10.721 -2.093 1.00 0.00 O ATOM 231 CB LEU A 17 -2.687 8.826 -4.786 1.00 0.00 C ATOM 232 CG LEU A 17 -1.563 8.771 -5.823 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.629 7.589 -5.559 1.00 0.00 C ATOM 234 CD2 LEU A 17 -2.130 8.748 -7.244 1.00 0.00 C ATOM 0 H LEU A 17 -4.226 8.047 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.393 8.025 -3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.400 8.033 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.216 9.772 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.966 9.678 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.160 7.574 -6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.185 7.690 -4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.196 6.659 -5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.311 8.709 -7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.764 7.870 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.720 9.649 -7.415 1.00 0.00 H new ATOM 246 N THR A 18 -0.519 10.290 -2.845 1.00 0.00 N ATOM 247 CA THR A 18 0.050 11.509 -2.296 1.00 0.00 C ATOM 248 C THR A 18 0.839 12.260 -3.371 1.00 0.00 C ATOM 249 O THR A 18 1.689 13.091 -3.055 1.00 0.00 O ATOM 250 CB THR A 18 0.893 11.131 -1.077 1.00 0.00 C ATOM 251 OG1 THR A 18 1.867 10.229 -1.595 1.00 0.00 O ATOM 252 CG2 THR A 18 0.112 10.294 -0.062 1.00 0.00 C ATOM 0 H THR A 18 0.144 9.696 -3.342 1.00 0.00 H new ATOM 0 HA THR A 18 -0.730 12.197 -1.969 1.00 0.00 H new ATOM 0 HB THR A 18 1.260 12.037 -0.594 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.499 9.321 -1.604 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.756 10.053 0.783 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.751 10.860 0.289 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.227 9.372 -0.535 1.00 0.00 H new ATOM 260 N SER A 19 0.529 11.941 -4.619 1.00 0.00 N ATOM 261 CA SER A 19 1.198 12.575 -5.742 1.00 0.00 C ATOM 262 C SER A 19 0.247 13.556 -6.432 1.00 0.00 C ATOM 263 O SER A 19 0.671 14.611 -6.901 1.00 0.00 O ATOM 264 CB SER A 19 1.703 11.533 -6.742 1.00 0.00 C ATOM 265 OG SER A 19 0.633 10.823 -7.359 1.00 0.00 O ATOM 0 H SER A 19 -0.177 11.251 -4.877 1.00 0.00 H new ATOM 0 HA SER A 19 2.061 13.122 -5.362 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.301 12.026 -7.509 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.359 10.828 -6.231 1.00 0.00 H new ATOM 0 HG SER A 19 0.996 10.169 -7.992 1.00 0.00 H new ATOM 271 N ASP A 20 -1.020 13.172 -6.472 1.00 0.00 N ATOM 272 CA ASP A 20 -2.034 14.004 -7.096 1.00 0.00 C ATOM 273 C ASP A 20 -2.587 14.989 -6.064 1.00 0.00 C ATOM 274 O ASP A 20 -2.702 14.658 -4.885 1.00 0.00 O ATOM 275 CB ASP A 20 -3.199 13.158 -7.614 1.00 0.00 C ATOM 276 CG ASP A 20 -3.427 13.226 -9.125 1.00 0.00 C ATOM 277 OD1 ASP A 20 -2.564 12.690 -9.854 1.00 0.00 O ATOM 278 OD2 ASP A 20 -4.458 13.813 -9.518 1.00 0.00 O ATOM 0 H ASP A 20 -1.368 12.296 -6.082 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.571 14.530 -7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.026 12.119 -7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.111 13.476 -7.110 1.00 0.00 H new ATOM 283 N PRO A 21 -2.925 16.210 -6.557 1.00 0.00 N ATOM 284 CA PRO A 21 -3.463 17.245 -5.691 1.00 0.00 C ATOM 285 C PRO A 21 -4.920 16.952 -5.326 1.00 0.00 C ATOM 286 O PRO A 21 -5.797 17.787 -5.538 1.00 0.00 O ATOM 287 CB PRO A 21 -3.295 18.538 -6.471 1.00 0.00 C ATOM 288 CG PRO A 21 -3.100 18.128 -7.922 1.00 0.00 C ATOM 289 CD PRO A 21 -2.803 16.637 -7.948 1.00 0.00 C ATOM 0 HA PRO A 21 -2.945 17.303 -4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.171 19.177 -6.360 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.438 19.105 -6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.994 18.350 -8.505 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.280 18.689 -8.370 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.506 16.104 -8.589 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.804 16.439 -8.337 1.00 0.00 H new ATOM 297 N ARG A 22 -5.132 15.762 -4.784 1.00 0.00 N ATOM 298 CA ARG A 22 -6.468 15.348 -4.388 1.00 0.00 C ATOM 299 C ARG A 22 -6.394 14.370 -3.213 1.00 0.00 C ATOM 300 O ARG A 22 -7.142 14.499 -2.245 1.00 0.00 O ATOM 301 CB ARG A 22 -7.206 14.682 -5.551 1.00 0.00 C ATOM 302 CG ARG A 22 -7.922 15.722 -6.414 1.00 0.00 C ATOM 303 CD ARG A 22 -9.441 15.573 -6.305 1.00 0.00 C ATOM 304 NE ARG A 22 -9.899 14.442 -7.141 1.00 0.00 N ATOM 305 CZ ARG A 22 -10.020 14.493 -8.475 1.00 0.00 C ATOM 306 NH1 ARG A 22 -9.718 15.621 -9.132 1.00 0.00 N ATOM 307 NH2 ARG A 22 -10.444 13.417 -9.151 1.00 0.00 N ATOM 0 H ARG A 22 -4.402 15.071 -4.610 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.017 16.241 -4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.498 14.122 -6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.930 13.965 -5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.628 16.724 -6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.616 15.610 -7.454 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.725 15.406 -5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.929 16.494 -6.625 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.138 13.568 -6.673 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.396 16.441 -8.617 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.810 15.660 -10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.675 12.559 -8.651 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.536 13.456 -10.166 1.00 0.00 H new ATOM 321 N LEU A 23 -5.484 13.414 -3.336 1.00 0.00 N ATOM 322 CA LEU A 23 -5.303 12.416 -2.297 1.00 0.00 C ATOM 323 C LEU A 23 -6.560 11.549 -2.203 1.00 0.00 C ATOM 324 O LEU A 23 -7.243 11.548 -1.181 1.00 0.00 O ATOM 325 CB LEU A 23 -4.916 13.082 -0.975 1.00 0.00 C ATOM 326 CG LEU A 23 -3.479 13.600 -0.880 1.00 0.00 C ATOM 327 CD1 LEU A 23 -3.395 15.065 -1.312 1.00 0.00 C ATOM 328 CD2 LEU A 23 -2.909 13.382 0.523 1.00 0.00 C ATOM 0 H LEU A 23 -4.865 13.310 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.475 11.752 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.594 13.917 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.077 12.366 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.862 13.025 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.363 15.408 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.733 15.160 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.029 15.672 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.887 13.759 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.521 13.914 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.912 12.317 0.756 1.00 0.00 H new ATOM 340 N PRO A 24 -6.834 10.812 -3.313 1.00 0.00 N ATOM 341 CA PRO A 24 -7.997 9.943 -3.366 1.00 0.00 C ATOM 342 C PRO A 24 -7.772 8.675 -2.539 1.00 0.00 C ATOM 343 O PRO A 24 -6.684 8.462 -2.007 1.00 0.00 O ATOM 344 CB PRO A 24 -8.208 9.657 -4.844 1.00 0.00 C ATOM 345 CG PRO A 24 -6.891 9.993 -5.526 1.00 0.00 C ATOM 346 CD PRO A 24 -6.047 10.788 -4.543 1.00 0.00 C ATOM 0 HA PRO A 24 -8.885 10.402 -2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.476 8.613 -5.005 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.021 10.261 -5.246 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.372 9.082 -5.825 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.067 10.571 -6.433 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.077 10.317 -4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.856 11.796 -4.910 1.00 0.00 H new ATOM 354 N TYR A 25 -8.819 7.868 -2.456 1.00 0.00 N ATOM 355 CA TYR A 25 -8.750 6.627 -1.703 1.00 0.00 C ATOM 356 C TYR A 25 -9.299 5.457 -2.521 1.00 0.00 C ATOM 357 O TYR A 25 -10.145 5.648 -3.394 1.00 0.00 O ATOM 358 CB TYR A 25 -9.634 6.832 -0.471 1.00 0.00 C ATOM 359 CG TYR A 25 -11.109 6.499 -0.701 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.555 5.201 -0.551 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.994 7.495 -1.060 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.943 4.887 -0.768 1.00 0.00 C ATOM 363 CE2 TYR A 25 -13.383 7.181 -1.277 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.789 5.893 -1.120 1.00 0.00 C ATOM 365 OH TYR A 25 -15.100 5.596 -1.325 1.00 0.00 O ATOM 0 H TYR A 25 -9.720 8.049 -2.898 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.718 6.393 -1.443 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.255 6.213 0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.553 7.869 -0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.862 4.421 -0.271 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.645 8.510 -1.178 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.305 3.876 -0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -14.086 7.951 -1.558 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.586 6.411 -1.570 1.00 0.00 H new ATOM 375 N LYS A 26 -8.796 4.271 -2.210 1.00 0.00 N ATOM 376 CA LYS A 26 -9.226 3.070 -2.906 1.00 0.00 C ATOM 377 C LYS A 26 -8.880 1.844 -2.058 1.00 0.00 C ATOM 378 O LYS A 26 -7.750 1.705 -1.594 1.00 0.00 O ATOM 379 CB LYS A 26 -8.637 3.029 -4.317 1.00 0.00 C ATOM 380 CG LYS A 26 -7.137 2.726 -4.276 1.00 0.00 C ATOM 381 CD LYS A 26 -6.858 1.282 -4.697 1.00 0.00 C ATOM 382 CE LYS A 26 -5.380 1.087 -5.040 1.00 0.00 C ATOM 383 NZ LYS A 26 -4.597 0.803 -3.816 1.00 0.00 N ATOM 0 H LYS A 26 -8.095 4.116 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.308 3.072 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.149 2.269 -4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.805 3.985 -4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.606 3.411 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.755 2.895 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.141 0.604 -3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.472 1.026 -5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.270 0.265 -5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.993 1.982 -5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.904 1.563 -3.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.238 0.749 -2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.098 -0.103 -3.925 1.00 0.00 H new ATOM 397 N VAL A 27 -9.875 0.986 -1.883 1.00 0.00 N ATOM 398 CA VAL A 27 -9.690 -0.223 -1.100 1.00 0.00 C ATOM 399 C VAL A 27 -9.523 -1.416 -2.043 1.00 0.00 C ATOM 400 O VAL A 27 -10.351 -1.634 -2.926 1.00 0.00 O ATOM 401 CB VAL A 27 -10.852 -0.395 -0.119 1.00 0.00 C ATOM 402 CG1 VAL A 27 -10.933 0.788 0.847 1.00 0.00 C ATOM 403 CG2 VAL A 27 -12.175 -0.585 -0.865 1.00 0.00 C ATOM 0 H VAL A 27 -10.811 1.105 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.783 -0.153 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.665 -1.295 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.767 0.641 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.005 0.859 1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.085 1.708 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.985 -0.705 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.370 0.288 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.114 -1.473 -1.494 1.00 0.00 H new ATOM 413 N LEU A 28 -8.446 -2.157 -1.825 1.00 0.00 N ATOM 414 CA LEU A 28 -8.160 -3.322 -2.644 1.00 0.00 C ATOM 415 C LEU A 28 -8.549 -4.587 -1.878 1.00 0.00 C ATOM 416 O LEU A 28 -7.979 -4.881 -0.828 1.00 0.00 O ATOM 417 CB LEU A 28 -6.702 -3.306 -3.107 1.00 0.00 C ATOM 418 CG LEU A 28 -6.478 -3.248 -4.619 1.00 0.00 C ATOM 419 CD1 LEU A 28 -5.098 -2.675 -4.948 1.00 0.00 C ATOM 420 CD2 LEU A 28 -6.696 -4.620 -5.259 1.00 0.00 C ATOM 0 H LEU A 28 -7.761 -1.973 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.759 -3.304 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.207 -2.447 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.209 -4.198 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.218 -2.572 -5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.965 -2.645 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.017 -1.666 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.327 -3.306 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.530 -4.550 -6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.996 -5.337 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.717 -4.952 -5.070 1.00 0.00 H new ATOM 432 N SER A 29 -9.517 -5.303 -2.432 1.00 0.00 N ATOM 433 CA SER A 29 -9.988 -6.530 -1.814 1.00 0.00 C ATOM 434 C SER A 29 -9.264 -7.733 -2.421 1.00 0.00 C ATOM 435 O SER A 29 -9.311 -7.945 -3.632 1.00 0.00 O ATOM 436 CB SER A 29 -11.502 -6.683 -1.978 1.00 0.00 C ATOM 437 OG SER A 29 -11.914 -6.492 -3.329 1.00 0.00 O ATOM 0 H SER A 29 -9.988 -5.056 -3.303 1.00 0.00 H new ATOM 0 HA SER A 29 -9.768 -6.482 -0.747 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.805 -7.675 -1.643 1.00 0.00 H new ATOM 0 HB3 SER A 29 -12.011 -5.962 -1.338 1.00 0.00 H new ATOM 0 HG SER A 29 -11.245 -6.878 -3.933 1.00 0.00 H new ATOM 443 N VAL A 30 -8.611 -8.491 -1.552 1.00 0.00 N ATOM 444 CA VAL A 30 -7.878 -9.667 -1.987 1.00 0.00 C ATOM 445 C VAL A 30 -7.814 -10.676 -0.839 1.00 0.00 C ATOM 446 O VAL A 30 -7.964 -10.308 0.325 1.00 0.00 O ATOM 447 CB VAL A 30 -6.496 -9.261 -2.504 1.00 0.00 C ATOM 448 CG1 VAL A 30 -6.602 -8.110 -3.506 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.563 -8.897 -1.347 1.00 0.00 C ATOM 0 H VAL A 30 -8.575 -8.313 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.391 -10.151 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.067 -10.118 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.606 -7.841 -3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.214 -8.420 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.061 -7.248 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.588 -8.612 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.986 -8.062 -0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.450 -9.757 -0.686 1.00 0.00 H new ATOM 459 N PRO A 31 -7.585 -11.963 -1.216 1.00 0.00 N ATOM 460 CA PRO A 31 -7.499 -13.028 -0.232 1.00 0.00 C ATOM 461 C PRO A 31 -6.167 -12.975 0.519 1.00 0.00 C ATOM 462 O PRO A 31 -5.102 -13.012 -0.095 1.00 0.00 O ATOM 463 CB PRO A 31 -7.683 -14.312 -1.024 1.00 0.00 C ATOM 464 CG PRO A 31 -7.401 -13.951 -2.473 1.00 0.00 C ATOM 465 CD PRO A 31 -7.402 -12.436 -2.586 1.00 0.00 C ATOM 0 HA PRO A 31 -8.258 -12.943 0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.001 -15.088 -0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.695 -14.701 -0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.439 -14.356 -2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.158 -14.383 -3.128 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.467 -12.070 -3.010 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.205 -12.088 -3.236 1.00 0.00 H new ATOM 473 N GLU A 32 -6.270 -12.888 1.837 1.00 0.00 N ATOM 474 CA GLU A 32 -5.087 -12.829 2.678 1.00 0.00 C ATOM 475 C GLU A 32 -4.000 -13.756 2.131 1.00 0.00 C ATOM 476 O GLU A 32 -2.838 -13.364 2.028 1.00 0.00 O ATOM 477 CB GLU A 32 -5.427 -13.179 4.128 1.00 0.00 C ATOM 478 CG GLU A 32 -6.288 -14.442 4.200 1.00 0.00 C ATOM 479 CD GLU A 32 -6.679 -14.758 5.645 1.00 0.00 C ATOM 480 OE1 GLU A 32 -6.901 -13.785 6.398 1.00 0.00 O ATOM 481 OE2 GLU A 32 -6.747 -15.964 5.964 1.00 0.00 O ATOM 0 H GLU A 32 -7.155 -12.857 2.343 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.707 -11.808 2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.508 -13.328 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.956 -12.347 4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.186 -14.309 3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.741 -15.284 3.775 1.00 0.00 H new ATOM 488 N SER A 33 -4.415 -14.968 1.793 1.00 0.00 N ATOM 489 CA SER A 33 -3.491 -15.954 1.259 1.00 0.00 C ATOM 490 C SER A 33 -2.511 -15.283 0.295 1.00 0.00 C ATOM 491 O SER A 33 -1.333 -15.637 0.256 1.00 0.00 O ATOM 492 CB SER A 33 -4.241 -17.085 0.552 1.00 0.00 C ATOM 493 OG SER A 33 -5.283 -16.592 -0.286 1.00 0.00 O ATOM 0 H SER A 33 -5.379 -15.290 1.879 1.00 0.00 H new ATOM 0 HA SER A 33 -2.934 -16.388 2.090 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.540 -17.667 -0.046 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.663 -17.761 1.296 1.00 0.00 H new ATOM 0 HG SER A 33 -5.737 -17.344 -0.721 1.00 0.00 H new ATOM 499 N THR A 34 -3.032 -14.328 -0.460 1.00 0.00 N ATOM 500 CA THR A 34 -2.217 -13.604 -1.421 1.00 0.00 C ATOM 501 C THR A 34 -1.231 -12.684 -0.699 1.00 0.00 C ATOM 502 O THR A 34 -1.545 -12.140 0.359 1.00 0.00 O ATOM 503 CB THR A 34 -3.156 -12.861 -2.373 1.00 0.00 C ATOM 504 OG1 THR A 34 -3.649 -13.879 -3.240 1.00 0.00 O ATOM 505 CG2 THR A 34 -2.409 -11.906 -3.306 1.00 0.00 C ATOM 0 H THR A 34 -4.009 -14.038 -0.426 1.00 0.00 H new ATOM 0 HA THR A 34 -1.604 -14.285 -2.012 1.00 0.00 H new ATOM 0 HB THR A 34 -3.891 -12.302 -1.794 1.00 0.00 H new ATOM 0 HG1 THR A 34 -4.268 -13.484 -3.889 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.122 -11.405 -3.960 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.875 -11.163 -2.714 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.697 -12.469 -3.909 1.00 0.00 H new ATOM 513 N PRO A 35 -0.028 -12.535 -1.315 1.00 0.00 N ATOM 514 CA PRO A 35 1.007 -11.690 -0.742 1.00 0.00 C ATOM 515 C PRO A 35 0.680 -10.209 -0.946 1.00 0.00 C ATOM 516 O PRO A 35 -0.074 -9.855 -1.850 1.00 0.00 O ATOM 517 CB PRO A 35 2.291 -12.116 -1.435 1.00 0.00 C ATOM 518 CG PRO A 35 1.861 -12.851 -2.694 1.00 0.00 C ATOM 519 CD PRO A 35 0.379 -13.164 -2.568 1.00 0.00 C ATOM 0 HA PRO A 35 1.096 -11.807 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.908 -11.252 -1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.887 -12.762 -0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.048 -12.239 -3.576 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.436 -13.769 -2.815 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.183 -12.765 -3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.202 -14.239 -2.547 1.00 0.00 H new ATOM 527 N PHE A 36 1.264 -9.384 -0.089 1.00 0.00 N ATOM 528 CA PHE A 36 1.044 -7.950 -0.163 1.00 0.00 C ATOM 529 C PHE A 36 1.947 -7.311 -1.221 1.00 0.00 C ATOM 530 O PHE A 36 1.754 -6.153 -1.588 1.00 0.00 O ATOM 531 CB PHE A 36 1.398 -7.372 1.209 1.00 0.00 C ATOM 532 CG PHE A 36 0.621 -6.104 1.569 1.00 0.00 C ATOM 533 CD1 PHE A 36 0.902 -4.932 0.939 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.351 -6.149 2.519 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.181 -3.755 1.273 1.00 0.00 C ATOM 536 CE2 PHE A 36 -1.073 -4.973 2.853 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.791 -3.800 2.223 1.00 0.00 C ATOM 0 H PHE A 36 1.889 -9.682 0.660 1.00 0.00 H new ATOM 0 HA PHE A 36 0.009 -7.746 -0.436 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.210 -8.129 1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.465 -7.152 1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.674 -4.896 0.184 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.574 -7.080 3.020 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.405 -2.824 0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.846 -5.009 3.607 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.339 -2.905 2.478 1.00 0.00 H new ATOM 547 N THR A 37 2.912 -8.094 -1.680 1.00 0.00 N ATOM 548 CA THR A 37 3.844 -7.619 -2.688 1.00 0.00 C ATOM 549 C THR A 37 3.099 -7.251 -3.973 1.00 0.00 C ATOM 550 O THR A 37 3.489 -6.321 -4.676 1.00 0.00 O ATOM 551 CB THR A 37 4.910 -8.698 -2.892 1.00 0.00 C ATOM 552 OG1 THR A 37 6.054 -7.976 -3.340 1.00 0.00 O ATOM 553 CG2 THR A 37 4.581 -9.635 -4.056 1.00 0.00 C ATOM 0 H THR A 37 3.069 -9.054 -1.372 1.00 0.00 H new ATOM 0 HA THR A 37 4.343 -6.705 -2.366 1.00 0.00 H new ATOM 0 HB THR A 37 5.016 -9.280 -1.977 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.794 -8.599 -3.495 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.369 -10.381 -4.157 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.631 -10.134 -3.864 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.508 -9.058 -4.978 1.00 0.00 H new ATOM 561 N ALA A 38 2.040 -8.001 -4.240 1.00 0.00 N ATOM 562 CA ALA A 38 1.237 -7.766 -5.428 1.00 0.00 C ATOM 563 C ALA A 38 0.437 -6.474 -5.249 1.00 0.00 C ATOM 564 O ALA A 38 0.679 -5.489 -5.946 1.00 0.00 O ATOM 565 CB ALA A 38 0.338 -8.977 -5.685 1.00 0.00 C ATOM 0 H ALA A 38 1.719 -8.772 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 38 1.874 -7.642 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.264 -8.800 -6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.955 -9.863 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.318 -9.131 -4.828 1.00 0.00 H new ATOM 571 N VAL A 39 -0.499 -6.519 -4.313 1.00 0.00 N ATOM 572 CA VAL A 39 -1.335 -5.364 -4.034 1.00 0.00 C ATOM 573 C VAL A 39 -0.505 -4.089 -4.191 1.00 0.00 C ATOM 574 O VAL A 39 -0.955 -3.124 -4.807 1.00 0.00 O ATOM 575 CB VAL A 39 -1.968 -5.499 -2.647 1.00 0.00 C ATOM 576 CG1 VAL A 39 -0.928 -5.926 -1.609 1.00 0.00 C ATOM 577 CG2 VAL A 39 -2.657 -4.198 -2.230 1.00 0.00 C ATOM 0 H VAL A 39 -0.697 -7.338 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.157 -5.306 -4.747 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.728 -6.279 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.404 -6.015 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.503 -6.888 -1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.135 -5.180 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.098 -4.321 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.925 -3.391 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.439 -3.954 -2.949 1.00 0.00 H new ATOM 587 N LEU A 40 0.691 -4.126 -3.623 1.00 0.00 N ATOM 588 CA LEU A 40 1.588 -2.985 -3.692 1.00 0.00 C ATOM 589 C LEU A 40 1.608 -2.443 -5.123 1.00 0.00 C ATOM 590 O LEU A 40 1.148 -1.331 -5.376 1.00 0.00 O ATOM 591 CB LEU A 40 2.972 -3.357 -3.157 1.00 0.00 C ATOM 592 CG LEU A 40 3.885 -2.187 -2.786 1.00 0.00 C ATOM 593 CD1 LEU A 40 5.083 -2.666 -1.963 1.00 0.00 C ATOM 594 CD2 LEU A 40 4.318 -1.413 -4.032 1.00 0.00 C ATOM 0 H LEU A 40 1.060 -4.928 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 40 1.229 -2.180 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.842 -3.984 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.479 -3.963 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 40 3.319 -1.497 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.716 -1.815 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.729 -3.138 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.658 -3.387 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.966 -0.587 -3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.859 -2.079 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.438 -1.021 -4.541 1.00 0.00 H new ATOM 606 N LYS A 41 2.145 -3.255 -6.022 1.00 0.00 N ATOM 607 CA LYS A 41 2.231 -2.872 -7.421 1.00 0.00 C ATOM 608 C LYS A 41 0.826 -2.588 -7.954 1.00 0.00 C ATOM 609 O LYS A 41 0.570 -1.517 -8.502 1.00 0.00 O ATOM 610 CB LYS A 41 2.991 -3.931 -8.221 1.00 0.00 C ATOM 611 CG LYS A 41 4.407 -4.122 -7.673 1.00 0.00 C ATOM 612 CD LYS A 41 5.107 -5.296 -8.360 1.00 0.00 C ATOM 613 CE LYS A 41 6.623 -5.092 -8.384 1.00 0.00 C ATOM 614 NZ LYS A 41 7.153 -5.306 -9.749 1.00 0.00 N ATOM 0 H LYS A 41 2.525 -4.177 -5.808 1.00 0.00 H new ATOM 0 HA LYS A 41 2.805 -1.952 -7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.452 -4.877 -8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.040 -3.635 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.985 -3.210 -7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.364 -4.298 -6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.869 -6.222 -7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.734 -5.401 -9.379 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.866 -4.084 -8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.100 -5.784 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.183 -5.164 -9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.938 -6.276 -10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.711 -4.629 -10.403 1.00 0.00 H new ATOM 628 N PHE A 42 -0.049 -3.567 -7.776 1.00 0.00 N ATOM 629 CA PHE A 42 -1.422 -3.437 -8.233 1.00 0.00 C ATOM 630 C PHE A 42 -1.984 -2.055 -7.892 1.00 0.00 C ATOM 631 O PHE A 42 -2.595 -1.403 -8.737 1.00 0.00 O ATOM 632 CB PHE A 42 -2.240 -4.502 -7.501 1.00 0.00 C ATOM 633 CG PHE A 42 -3.575 -4.832 -8.172 1.00 0.00 C ATOM 634 CD1 PHE A 42 -4.501 -3.854 -8.362 1.00 0.00 C ATOM 635 CD2 PHE A 42 -3.836 -6.103 -8.579 1.00 0.00 C ATOM 636 CE1 PHE A 42 -5.739 -4.160 -8.985 1.00 0.00 C ATOM 637 CE2 PHE A 42 -5.075 -6.409 -9.202 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.000 -5.431 -9.392 1.00 0.00 C ATOM 0 H PHE A 42 0.167 -4.454 -7.321 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.468 -3.562 -9.315 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.647 -5.414 -7.427 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.431 -4.163 -6.483 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.294 -2.844 -8.039 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.101 -6.880 -8.428 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.474 -3.383 -9.136 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.282 -7.419 -9.525 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.942 -5.663 -9.866 1.00 0.00 H new ATOM 648 N ALA A 43 -1.759 -1.650 -6.651 1.00 0.00 N ATOM 649 CA ALA A 43 -2.235 -0.358 -6.187 1.00 0.00 C ATOM 650 C ALA A 43 -1.837 0.720 -7.197 1.00 0.00 C ATOM 651 O ALA A 43 -2.673 1.514 -7.626 1.00 0.00 O ATOM 652 CB ALA A 43 -1.680 -0.080 -4.789 1.00 0.00 C ATOM 0 H ALA A 43 -1.253 -2.194 -5.952 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.322 -0.355 -6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.038 0.889 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.016 -0.858 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.591 -0.073 -4.825 1.00 0.00 H new ATOM 658 N ALA A 44 -0.559 0.714 -7.548 1.00 0.00 N ATOM 659 CA ALA A 44 -0.040 1.681 -8.500 1.00 0.00 C ATOM 660 C ALA A 44 -0.964 1.738 -9.718 1.00 0.00 C ATOM 661 O ALA A 44 -1.514 2.791 -10.036 1.00 0.00 O ATOM 662 CB ALA A 44 1.396 1.310 -8.874 1.00 0.00 C ATOM 0 H ALA A 44 0.132 0.055 -7.190 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.014 2.677 -8.059 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.785 2.036 -9.588 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.018 1.313 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.410 0.316 -9.322 1.00 0.00 H new ATOM 668 N GLU A 45 -1.105 0.592 -10.368 1.00 0.00 N ATOM 669 CA GLU A 45 -1.953 0.497 -11.544 1.00 0.00 C ATOM 670 C GLU A 45 -3.343 1.062 -11.244 1.00 0.00 C ATOM 671 O GLU A 45 -3.972 1.667 -12.110 1.00 0.00 O ATOM 672 CB GLU A 45 -2.043 -0.947 -12.040 1.00 0.00 C ATOM 673 CG GLU A 45 -0.671 -1.464 -12.476 1.00 0.00 C ATOM 674 CD GLU A 45 -0.561 -2.975 -12.261 1.00 0.00 C ATOM 675 OE1 GLU A 45 -1.243 -3.706 -13.010 1.00 0.00 O ATOM 676 OE2 GLU A 45 0.204 -3.364 -11.351 1.00 0.00 O ATOM 0 H GLU A 45 -0.646 -0.279 -10.102 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.505 1.092 -12.340 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.440 -1.583 -11.249 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.740 -1.005 -12.876 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.508 -1.230 -13.528 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.110 -0.955 -11.911 1.00 0.00 H new ATOM 683 N GLU A 46 -3.781 0.844 -10.012 1.00 0.00 N ATOM 684 CA GLU A 46 -5.085 1.324 -9.587 1.00 0.00 C ATOM 685 C GLU A 46 -5.111 2.854 -9.576 1.00 0.00 C ATOM 686 O GLU A 46 -6.156 3.462 -9.799 1.00 0.00 O ATOM 687 CB GLU A 46 -5.456 0.760 -8.214 1.00 0.00 C ATOM 688 CG GLU A 46 -6.625 -0.221 -8.321 1.00 0.00 C ATOM 689 CD GLU A 46 -7.952 0.524 -8.480 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.040 1.331 -9.430 1.00 0.00 O ATOM 691 OE2 GLU A 46 -8.849 0.268 -7.648 1.00 0.00 O ATOM 0 H GLU A 46 -3.256 0.342 -9.296 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.830 0.973 -10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.593 0.256 -7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.722 1.576 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.472 -0.884 -9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.660 -0.849 -7.431 1.00 0.00 H new ATOM 698 N PHE A 47 -3.947 3.431 -9.315 1.00 0.00 N ATOM 699 CA PHE A 47 -3.823 4.878 -9.272 1.00 0.00 C ATOM 700 C PHE A 47 -3.345 5.427 -10.618 1.00 0.00 C ATOM 701 O PHE A 47 -3.279 6.641 -10.809 1.00 0.00 O ATOM 702 CB PHE A 47 -2.780 5.206 -8.202 1.00 0.00 C ATOM 703 CG PHE A 47 -3.348 5.290 -6.784 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.387 6.126 -6.516 1.00 0.00 C ATOM 705 CD2 PHE A 47 -2.815 4.528 -5.792 1.00 0.00 C ATOM 706 CE1 PHE A 47 -4.914 6.204 -5.200 1.00 0.00 C ATOM 707 CE2 PHE A 47 -3.343 4.605 -4.476 1.00 0.00 C ATOM 708 CZ PHE A 47 -4.381 5.442 -4.208 1.00 0.00 C ATOM 0 H PHE A 47 -3.082 2.923 -9.131 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.790 5.328 -9.049 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.999 4.446 -8.225 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.307 6.156 -8.450 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.811 6.730 -7.304 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.990 3.864 -6.005 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.738 6.869 -4.987 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.920 3.999 -3.688 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.782 5.501 -3.207 1.00 0.00 H new ATOM 718 N LYS A 48 -3.025 4.507 -11.516 1.00 0.00 N ATOM 719 CA LYS A 48 -2.555 4.884 -12.839 1.00 0.00 C ATOM 720 C LYS A 48 -1.107 5.368 -12.742 1.00 0.00 C ATOM 721 O LYS A 48 -0.766 6.426 -13.268 1.00 0.00 O ATOM 722 CB LYS A 48 -3.503 5.904 -13.474 1.00 0.00 C ATOM 723 CG LYS A 48 -4.180 5.323 -14.717 1.00 0.00 C ATOM 724 CD LYS A 48 -4.380 6.400 -15.785 1.00 0.00 C ATOM 725 CE LYS A 48 -5.282 5.893 -16.912 1.00 0.00 C ATOM 726 NZ LYS A 48 -6.248 6.940 -17.314 1.00 0.00 N ATOM 0 H LYS A 48 -3.082 3.502 -11.354 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.560 4.021 -13.505 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.260 6.203 -12.749 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.948 6.803 -13.744 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.573 4.513 -15.121 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.144 4.893 -14.444 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.821 7.288 -15.333 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.414 6.697 -16.193 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.674 5.602 -17.769 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.818 5.002 -16.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.852 6.579 -18.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.840 7.198 -16.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.732 7.779 -17.647 1.00 0.00 H new ATOM 740 N VAL A 49 -0.294 4.569 -12.067 1.00 0.00 N ATOM 741 CA VAL A 49 1.110 4.903 -11.895 1.00 0.00 C ATOM 742 C VAL A 49 1.959 3.651 -12.124 1.00 0.00 C ATOM 743 O VAL A 49 1.439 2.536 -12.128 1.00 0.00 O ATOM 744 CB VAL A 49 1.334 5.533 -10.519 1.00 0.00 C ATOM 745 CG1 VAL A 49 1.252 7.059 -10.595 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.340 4.980 -9.495 1.00 0.00 C ATOM 0 H VAL A 49 -0.580 3.692 -11.633 1.00 0.00 H new ATOM 0 HA VAL A 49 1.419 5.645 -12.631 1.00 0.00 H new ATOM 0 HB VAL A 49 2.338 5.268 -10.188 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.415 7.482 -9.604 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.016 7.431 -11.278 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.267 7.353 -10.958 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.521 5.444 -8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.677 5.201 -9.819 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.468 3.901 -9.410 1.00 0.00 H new ATOM 756 N PRO A 50 3.285 3.883 -12.316 1.00 0.00 N ATOM 757 CA PRO A 50 4.211 2.787 -12.545 1.00 0.00 C ATOM 758 C PRO A 50 4.496 2.028 -11.247 1.00 0.00 C ATOM 759 O PRO A 50 4.669 2.638 -10.193 1.00 0.00 O ATOM 760 CB PRO A 50 5.451 3.436 -13.137 1.00 0.00 C ATOM 761 CG PRO A 50 5.355 4.913 -12.787 1.00 0.00 C ATOM 762 CD PRO A 50 3.936 5.189 -12.318 1.00 0.00 C ATOM 0 HA PRO A 50 3.810 2.033 -13.223 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.358 2.995 -12.724 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.490 3.292 -14.217 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.072 5.168 -12.006 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.597 5.527 -13.654 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.928 5.637 -11.324 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.427 5.884 -12.985 1.00 0.00 H new ATOM 770 N ALA A 51 4.535 0.709 -11.366 1.00 0.00 N ATOM 771 CA ALA A 51 4.795 -0.139 -10.215 1.00 0.00 C ATOM 772 C ALA A 51 6.303 -0.360 -10.081 1.00 0.00 C ATOM 773 O ALA A 51 6.759 -1.495 -9.953 1.00 0.00 O ATOM 774 CB ALA A 51 4.024 -1.452 -10.364 1.00 0.00 C ATOM 0 H ALA A 51 4.391 0.207 -12.242 1.00 0.00 H new ATOM 0 HA ALA A 51 4.449 0.340 -9.299 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.219 -2.088 -9.501 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.956 -1.242 -10.426 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.347 -1.963 -11.271 1.00 0.00 H new ATOM 780 N ALA A 52 7.036 0.743 -10.114 1.00 0.00 N ATOM 781 CA ALA A 52 8.483 0.684 -9.998 1.00 0.00 C ATOM 782 C ALA A 52 8.957 1.770 -9.029 1.00 0.00 C ATOM 783 O ALA A 52 9.723 1.493 -8.107 1.00 0.00 O ATOM 784 CB ALA A 52 9.113 0.825 -11.385 1.00 0.00 C ATOM 0 H ALA A 52 6.655 1.683 -10.219 1.00 0.00 H new ATOM 0 HA ALA A 52 8.797 -0.279 -9.594 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.199 0.781 -11.298 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.767 0.014 -12.026 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.823 1.781 -11.821 1.00 0.00 H new ATOM 790 N THR A 53 8.482 2.983 -9.271 1.00 0.00 N ATOM 791 CA THR A 53 8.847 4.111 -8.432 1.00 0.00 C ATOM 792 C THR A 53 7.768 4.362 -7.377 1.00 0.00 C ATOM 793 O THR A 53 7.378 5.505 -7.143 1.00 0.00 O ATOM 794 CB THR A 53 9.100 5.315 -9.342 1.00 0.00 C ATOM 795 OG1 THR A 53 7.861 5.503 -10.021 1.00 0.00 O ATOM 796 CG2 THR A 53 10.095 5.004 -10.462 1.00 0.00 C ATOM 0 H THR A 53 7.847 3.209 -10.037 1.00 0.00 H new ATOM 0 HA THR A 53 9.762 3.910 -7.874 1.00 0.00 H new ATOM 0 HB THR A 53 9.473 6.148 -8.746 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.935 6.266 -10.632 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.239 5.892 -11.078 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.049 4.705 -10.028 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.707 4.193 -11.079 1.00 0.00 H new ATOM 804 N SER A 54 7.317 3.276 -6.768 1.00 0.00 N ATOM 805 CA SER A 54 6.291 3.364 -5.743 1.00 0.00 C ATOM 806 C SER A 54 6.664 2.480 -4.551 1.00 0.00 C ATOM 807 O SER A 54 7.383 1.494 -4.706 1.00 0.00 O ATOM 808 CB SER A 54 4.923 2.960 -6.296 1.00 0.00 C ATOM 809 OG SER A 54 4.481 3.841 -7.325 1.00 0.00 O ATOM 0 H SER A 54 7.643 2.330 -6.965 1.00 0.00 H new ATOM 0 HA SER A 54 6.227 4.401 -5.412 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.976 1.944 -6.687 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.193 2.953 -5.487 1.00 0.00 H new ATOM 0 HG SER A 54 4.570 3.399 -8.195 1.00 0.00 H new ATOM 815 N ALA A 55 6.158 2.865 -3.388 1.00 0.00 N ATOM 816 CA ALA A 55 6.430 2.120 -2.171 1.00 0.00 C ATOM 817 C ALA A 55 5.330 2.407 -1.146 1.00 0.00 C ATOM 818 O ALA A 55 4.982 3.564 -0.912 1.00 0.00 O ATOM 819 CB ALA A 55 7.821 2.483 -1.649 1.00 0.00 C ATOM 0 H ALA A 55 5.561 3.683 -3.263 1.00 0.00 H new ATOM 0 HA ALA A 55 6.426 1.048 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.024 1.924 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.569 2.233 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.863 3.551 -1.437 1.00 0.00 H new ATOM 825 N ILE A 56 4.814 1.335 -0.564 1.00 0.00 N ATOM 826 CA ILE A 56 3.761 1.458 0.430 1.00 0.00 C ATOM 827 C ILE A 56 4.359 1.276 1.826 1.00 0.00 C ATOM 828 O ILE A 56 4.957 0.242 2.119 1.00 0.00 O ATOM 829 CB ILE A 56 2.617 0.490 0.120 1.00 0.00 C ATOM 830 CG1 ILE A 56 1.907 0.877 -1.179 1.00 0.00 C ATOM 831 CG2 ILE A 56 1.645 0.395 1.298 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.000 -0.255 -1.666 1.00 0.00 C ATOM 0 H ILE A 56 5.105 0.378 -0.761 1.00 0.00 H new ATOM 0 HA ILE A 56 3.322 2.455 0.399 1.00 0.00 H new ATOM 0 HB ILE A 56 3.041 -0.503 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.316 1.779 -1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.646 1.111 -1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.842 -0.299 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.176 0.037 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.224 1.379 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.507 0.046 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.598 -1.148 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.248 -0.470 -0.907 1.00 0.00 H new ATOM 844 N ILE A 57 4.178 2.297 2.650 1.00 0.00 N ATOM 845 CA ILE A 57 4.693 2.263 4.009 1.00 0.00 C ATOM 846 C ILE A 57 3.533 2.426 4.993 1.00 0.00 C ATOM 847 O ILE A 57 2.416 2.751 4.594 1.00 0.00 O ATOM 848 CB ILE A 57 5.802 3.302 4.188 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.261 4.720 3.996 1.00 0.00 C ATOM 850 CG2 ILE A 57 6.983 3.009 3.260 1.00 0.00 C ATOM 851 CD1 ILE A 57 6.056 5.728 4.828 1.00 0.00 C ATOM 0 H ILE A 57 3.682 3.153 2.403 1.00 0.00 H new ATOM 0 HA ILE A 57 5.155 1.298 4.217 1.00 0.00 H new ATOM 0 HB ILE A 57 6.172 3.234 5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.312 4.993 2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.210 4.754 4.284 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.757 3.762 3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.388 2.023 3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.646 3.033 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.651 6.728 4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.983 5.466 5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.102 5.709 4.521 1.00 0.00 H new ATOM 863 N THR A 58 3.838 2.193 6.261 1.00 0.00 N ATOM 864 CA THR A 58 2.835 2.309 7.306 1.00 0.00 C ATOM 865 C THR A 58 2.729 3.759 7.784 1.00 0.00 C ATOM 866 O THR A 58 3.258 4.667 7.145 1.00 0.00 O ATOM 867 CB THR A 58 3.198 1.326 8.421 1.00 0.00 C ATOM 868 OG1 THR A 58 4.252 1.975 9.126 1.00 0.00 O ATOM 869 CG2 THR A 58 3.840 0.045 7.886 1.00 0.00 C ATOM 0 H THR A 58 4.766 1.924 6.589 1.00 0.00 H new ATOM 0 HA THR A 58 1.844 2.049 6.934 1.00 0.00 H new ATOM 0 HB THR A 58 2.302 1.073 8.988 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.547 1.407 9.868 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.078 -0.618 8.718 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.146 -0.455 7.211 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.754 0.294 7.347 1.00 0.00 H new ATOM 877 N ASN A 59 2.043 3.930 8.905 1.00 0.00 N ATOM 878 CA ASN A 59 1.861 5.253 9.476 1.00 0.00 C ATOM 879 C ASN A 59 2.982 5.529 10.480 1.00 0.00 C ATOM 880 O ASN A 59 2.854 6.406 11.333 1.00 0.00 O ATOM 881 CB ASN A 59 0.527 5.354 10.218 1.00 0.00 C ATOM 882 CG ASN A 59 -0.413 6.343 9.525 1.00 0.00 C ATOM 883 OD1 ASN A 59 -0.003 7.367 9.004 1.00 0.00 O ATOM 884 ND2 ASN A 59 -1.692 5.980 9.548 1.00 0.00 N ATOM 0 H ASN A 59 1.607 3.174 9.433 1.00 0.00 H new ATOM 0 HA ASN A 59 1.876 5.977 8.661 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.057 4.372 10.264 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.702 5.672 11.246 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.398 6.573 9.112 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.967 5.109 10.002 1.00 0.00 H new ATOM 891 N ASP A 60 4.056 4.765 10.344 1.00 0.00 N ATOM 892 CA ASP A 60 5.199 4.916 11.228 1.00 0.00 C ATOM 893 C ASP A 60 6.478 4.996 10.392 1.00 0.00 C ATOM 894 O ASP A 60 7.525 4.500 10.805 1.00 0.00 O ATOM 895 CB ASP A 60 5.326 3.720 12.174 1.00 0.00 C ATOM 896 CG ASP A 60 5.718 4.070 13.610 1.00 0.00 C ATOM 897 OD1 ASP A 60 5.951 5.273 13.858 1.00 0.00 O ATOM 898 OD2 ASP A 60 5.776 3.127 14.428 1.00 0.00 O ATOM 0 H ASP A 60 4.159 4.039 9.635 1.00 0.00 H new ATOM 0 HA ASP A 60 5.055 5.824 11.813 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.375 3.188 12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.068 3.032 11.768 1.00 0.00 H new ATOM 903 N GLY A 61 6.351 5.625 9.233 1.00 0.00 N ATOM 904 CA GLY A 61 7.483 5.777 8.336 1.00 0.00 C ATOM 905 C GLY A 61 8.323 4.498 8.292 1.00 0.00 C ATOM 906 O GLY A 61 9.517 4.525 8.587 1.00 0.00 O ATOM 0 H GLY A 61 5.481 6.035 8.895 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.128 6.018 7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.102 6.612 8.664 1.00 0.00 H new ATOM 910 N ILE A 62 7.666 3.409 7.923 1.00 0.00 N ATOM 911 CA ILE A 62 8.337 2.123 7.837 1.00 0.00 C ATOM 912 C ILE A 62 7.848 1.379 6.592 1.00 0.00 C ATOM 913 O ILE A 62 6.653 1.372 6.298 1.00 0.00 O ATOM 914 CB ILE A 62 8.154 1.335 9.135 1.00 0.00 C ATOM 915 CG1 ILE A 62 9.133 1.814 10.210 1.00 0.00 C ATOM 916 CG2 ILE A 62 8.269 -0.170 8.885 1.00 0.00 C ATOM 917 CD1 ILE A 62 10.461 1.062 10.115 1.00 0.00 C ATOM 0 H ILE A 62 6.676 3.390 7.680 1.00 0.00 H new ATOM 0 HA ILE A 62 9.412 2.262 7.724 1.00 0.00 H new ATOM 0 HB ILE A 62 7.147 1.523 9.509 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.308 2.884 10.097 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.696 1.665 11.197 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.135 -0.706 9.824 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.501 -0.481 8.177 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.253 -0.397 8.475 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.139 1.421 10.890 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.286 -0.005 10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.907 1.233 9.135 1.00 0.00 H new ATOM 929 N GLY A 63 8.796 0.771 5.894 1.00 0.00 N ATOM 930 CA GLY A 63 8.476 0.027 4.688 1.00 0.00 C ATOM 931 C GLY A 63 7.687 -1.241 5.020 1.00 0.00 C ATOM 932 O GLY A 63 7.255 -1.429 6.156 1.00 0.00 O ATOM 0 H GLY A 63 9.786 0.779 6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.895 0.655 4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.395 -0.238 4.165 1.00 0.00 H new ATOM 936 N ILE A 64 7.523 -2.080 4.007 1.00 0.00 N ATOM 937 CA ILE A 64 6.794 -3.325 4.177 1.00 0.00 C ATOM 938 C ILE A 64 7.601 -4.472 3.565 1.00 0.00 C ATOM 939 O ILE A 64 8.266 -4.293 2.546 1.00 0.00 O ATOM 940 CB ILE A 64 5.379 -3.198 3.610 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.711 -1.907 4.086 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.541 -4.434 3.945 1.00 0.00 C ATOM 943 CD1 ILE A 64 3.482 -1.579 3.235 1.00 0.00 C ATOM 0 H ILE A 64 7.883 -1.922 3.066 1.00 0.00 H new ATOM 0 HA ILE A 64 6.670 -3.552 5.236 1.00 0.00 H new ATOM 0 HB ILE A 64 5.450 -3.142 2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.418 -2.009 5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.424 -1.084 4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.540 -4.318 3.530 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.011 -5.319 3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.475 -4.546 5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.026 -0.657 3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.783 -1.454 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.761 -2.393 3.309 1.00 0.00 H new ATOM 955 N ASN A 65 7.517 -5.624 4.214 1.00 0.00 N ATOM 956 CA ASN A 65 8.232 -6.800 3.746 1.00 0.00 C ATOM 957 C ASN A 65 7.230 -7.918 3.455 1.00 0.00 C ATOM 958 O ASN A 65 6.605 -8.451 4.371 1.00 0.00 O ATOM 959 CB ASN A 65 9.211 -7.307 4.807 1.00 0.00 C ATOM 960 CG ASN A 65 10.552 -7.688 4.177 1.00 0.00 C ATOM 961 OD1 ASN A 65 11.126 -6.958 3.386 1.00 0.00 O ATOM 962 ND2 ASN A 65 11.018 -8.871 4.570 1.00 0.00 N ATOM 0 H ASN A 65 6.965 -5.768 5.060 1.00 0.00 H new ATOM 0 HA ASN A 65 8.784 -6.524 2.848 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.366 -6.536 5.562 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.785 -8.172 5.316 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.906 -9.216 4.206 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.487 -9.433 5.236 1.00 0.00 H new ATOM 969 N PRO A 66 7.104 -8.250 2.142 1.00 0.00 N ATOM 970 CA PRO A 66 6.188 -9.295 1.718 1.00 0.00 C ATOM 971 C PRO A 66 6.746 -10.681 2.051 1.00 0.00 C ATOM 972 O PRO A 66 6.814 -11.551 1.184 1.00 0.00 O ATOM 973 CB PRO A 66 6.000 -9.073 0.227 1.00 0.00 C ATOM 974 CG PRO A 66 7.168 -8.208 -0.217 1.00 0.00 C ATOM 975 CD PRO A 66 7.827 -7.640 1.030 1.00 0.00 C ATOM 0 HA PRO A 66 5.230 -9.251 2.237 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.990 -10.021 -0.311 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.049 -8.580 0.022 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.883 -8.797 -0.792 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.822 -7.404 -0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.888 -7.887 1.065 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.752 -6.553 1.057 1.00 0.00 H new ATOM 983 N ALA A 67 7.131 -10.842 3.308 1.00 0.00 N ATOM 984 CA ALA A 67 7.681 -12.107 3.765 1.00 0.00 C ATOM 985 C ALA A 67 6.537 -13.041 4.164 1.00 0.00 C ATOM 986 O ALA A 67 6.736 -14.247 4.308 1.00 0.00 O ATOM 987 CB ALA A 67 8.655 -11.854 4.917 1.00 0.00 C ATOM 0 H ALA A 67 7.073 -10.118 4.024 1.00 0.00 H new ATOM 0 HA ALA A 67 8.240 -12.593 2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.067 -12.803 5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.464 -11.209 4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.128 -11.369 5.739 1.00 0.00 H new ATOM 993 N GLN A 68 5.363 -12.450 4.332 1.00 0.00 N ATOM 994 CA GLN A 68 4.187 -13.214 4.711 1.00 0.00 C ATOM 995 C GLN A 68 3.014 -12.876 3.788 1.00 0.00 C ATOM 996 O GLN A 68 3.175 -12.134 2.821 1.00 0.00 O ATOM 997 CB GLN A 68 3.821 -12.966 6.176 1.00 0.00 C ATOM 998 CG GLN A 68 3.953 -11.484 6.531 1.00 0.00 C ATOM 999 CD GLN A 68 5.410 -11.115 6.815 1.00 0.00 C ATOM 1000 OE1 GLN A 68 6.088 -11.733 7.620 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.853 -10.077 6.112 1.00 0.00 N ATOM 0 H GLN A 68 5.201 -11.450 4.212 1.00 0.00 H new ATOM 0 HA GLN A 68 4.416 -14.274 4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.799 -13.298 6.360 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.470 -13.557 6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.573 -10.875 5.711 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.341 -11.260 7.404 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.233 -9.604 5.455 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.813 -9.753 6.230 1.00 0.00 H new ATOM 1010 N THR A 69 1.861 -13.437 4.121 1.00 0.00 N ATOM 1011 CA THR A 69 0.661 -13.205 3.334 1.00 0.00 C ATOM 1012 C THR A 69 0.138 -11.786 3.566 1.00 0.00 C ATOM 1013 O THR A 69 0.389 -11.192 4.613 1.00 0.00 O ATOM 1014 CB THR A 69 -0.354 -14.293 3.688 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.867 -13.891 4.955 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.308 -15.644 3.966 1.00 0.00 C ATOM 0 H THR A 69 1.732 -14.052 4.925 1.00 0.00 H new ATOM 0 HA THR A 69 0.869 -13.270 2.266 1.00 0.00 H new ATOM 0 HB THR A 69 -1.069 -14.400 2.873 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.685 -14.589 5.618 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.457 -16.380 4.212 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.854 -15.970 3.081 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.999 -15.545 4.803 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.581 -11.285 2.572 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.142 -9.947 2.655 1.00 0.00 C ATOM 1026 C ALA A 70 -1.866 -9.784 3.993 1.00 0.00 C ATOM 1027 O ALA A 70 -1.582 -8.855 4.747 1.00 0.00 O ATOM 1028 CB ALA A 70 -2.066 -9.706 1.459 1.00 0.00 C ATOM 0 H ALA A 70 -0.788 -11.781 1.705 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.353 -9.197 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.487 -8.703 1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.497 -9.805 0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.873 -10.439 1.469 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.786 -10.703 4.247 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.553 -10.672 5.481 1.00 0.00 C ATOM 1036 C GLY A 71 -2.628 -10.628 6.700 1.00 0.00 C ATOM 1037 O GLY A 71 -3.040 -10.209 7.780 1.00 0.00 O ATOM 0 H GLY A 71 -3.018 -11.473 3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.208 -9.800 5.485 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.194 -11.552 5.538 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.397 -11.066 6.484 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.411 -11.081 7.552 1.00 0.00 C ATOM 1043 C ASN A 72 0.434 -9.807 7.478 1.00 0.00 C ATOM 1044 O ASN A 72 1.078 -9.428 8.455 1.00 0.00 O ATOM 1045 CB ASN A 72 0.529 -12.280 7.416 1.00 0.00 C ATOM 1046 CG ASN A 72 0.703 -12.995 8.757 1.00 0.00 C ATOM 1047 OD1 ASN A 72 0.727 -12.388 9.815 1.00 0.00 O ATOM 1048 ND2 ASN A 72 0.823 -14.316 8.655 1.00 0.00 N ATOM 0 H ASN A 72 -1.059 -11.413 5.586 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.943 -11.145 8.501 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.132 -12.976 6.677 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.500 -11.946 7.049 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.944 -14.883 9.494 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.794 -14.761 7.738 1.00 0.00 H new ATOM 1055 N VAL A 73 0.405 -9.183 6.310 1.00 0.00 N ATOM 1056 CA VAL A 73 1.160 -7.960 6.096 1.00 0.00 C ATOM 1057 C VAL A 73 0.296 -6.758 6.481 1.00 0.00 C ATOM 1058 O VAL A 73 0.757 -5.855 7.177 1.00 0.00 O ATOM 1059 CB VAL A 73 1.658 -7.899 4.650 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.062 -6.473 4.269 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.816 -8.875 4.428 1.00 0.00 C ATOM 0 H VAL A 73 -0.130 -9.501 5.502 1.00 0.00 H new ATOM 0 HA VAL A 73 2.045 -7.941 6.732 1.00 0.00 H new ATOM 0 HB VAL A 73 0.837 -8.199 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.412 -6.457 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.201 -5.812 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.861 -6.133 4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.151 -8.812 3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.641 -8.618 5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.482 -9.891 4.640 1.00 0.00 H new ATOM 1071 N PHE A 74 -0.943 -6.785 6.012 1.00 0.00 N ATOM 1072 CA PHE A 74 -1.876 -5.709 6.299 1.00 0.00 C ATOM 1073 C PHE A 74 -2.294 -5.724 7.770 1.00 0.00 C ATOM 1074 O PHE A 74 -2.921 -4.781 8.251 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.112 -5.944 5.428 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.285 -6.586 6.171 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.121 -7.782 6.796 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.491 -5.959 6.208 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.210 -8.378 7.487 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.580 -6.554 6.899 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.416 -7.751 7.523 1.00 0.00 C ATOM 0 H PHE A 74 -1.322 -7.536 5.435 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.409 -4.746 6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.437 -4.990 5.012 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.836 -6.581 4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.163 -8.279 6.767 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.621 -5.008 5.712 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.080 -9.328 7.983 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.538 -6.056 6.929 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.244 -8.204 8.048 1.00 0.00 H new ATOM 1091 N LEU A 75 -1.930 -6.804 8.445 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.259 -6.954 9.852 1.00 0.00 C ATOM 1093 C LEU A 75 -1.113 -6.402 10.702 1.00 0.00 C ATOM 1094 O LEU A 75 -1.345 -5.685 11.674 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.613 -8.409 10.168 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.254 -8.662 11.534 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -4.776 -8.762 11.415 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -2.649 -9.898 12.203 1.00 0.00 C ATOM 0 H LEU A 75 -1.410 -7.584 8.043 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.148 -6.373 10.099 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.292 -8.772 9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.704 -9.006 10.099 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.037 -7.809 12.177 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.207 -8.942 12.400 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.171 -7.830 11.011 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.036 -9.585 10.749 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.122 -10.055 13.172 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.815 -10.771 11.572 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.578 -9.749 12.342 1.00 0.00 H new ATOM 1110 N LYS A 76 0.100 -6.757 10.304 1.00 0.00 N ATOM 1111 CA LYS A 76 1.283 -6.306 11.016 1.00 0.00 C ATOM 1112 C LYS A 76 1.584 -4.856 10.631 1.00 0.00 C ATOM 1113 O LYS A 76 2.126 -4.096 11.432 1.00 0.00 O ATOM 1114 CB LYS A 76 2.453 -7.262 10.773 1.00 0.00 C ATOM 1115 CG LYS A 76 3.012 -7.094 9.358 1.00 0.00 C ATOM 1116 CD LYS A 76 4.510 -7.404 9.321 1.00 0.00 C ATOM 1117 CE LYS A 76 4.797 -8.795 9.890 1.00 0.00 C ATOM 1118 NZ LYS A 76 5.061 -8.716 11.344 1.00 0.00 N ATOM 0 H LYS A 76 0.289 -7.352 9.497 1.00 0.00 H new ATOM 0 HA LYS A 76 1.108 -6.321 12.092 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.240 -7.073 11.504 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.123 -8.291 10.918 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.483 -7.756 8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.839 -6.074 9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.872 -7.346 8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.054 -6.653 9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.948 -9.453 9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.656 -9.232 9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.826 -9.374 11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.343 -7.747 11.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.200 -8.971 11.868 1.00 0.00 H new ATOM 1132 N HIS A 77 1.218 -4.516 9.403 1.00 0.00 N ATOM 1133 CA HIS A 77 1.442 -3.170 8.902 1.00 0.00 C ATOM 1134 C HIS A 77 0.168 -2.341 9.072 1.00 0.00 C ATOM 1135 O HIS A 77 0.229 -1.174 9.456 1.00 0.00 O ATOM 1136 CB HIS A 77 1.938 -3.206 7.455 1.00 0.00 C ATOM 1137 CG HIS A 77 3.290 -3.856 7.285 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.478 -3.156 7.397 1.00 0.00 N ATOM 1139 CD2 HIS A 77 3.629 -5.149 7.011 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.481 -3.999 7.197 1.00 0.00 C ATOM 1141 NE2 HIS A 77 4.952 -5.234 6.957 1.00 0.00 N ATOM 0 H HIS A 77 0.768 -5.149 8.741 1.00 0.00 H new ATOM 0 HA HIS A 77 2.228 -2.687 9.483 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.210 -3.741 6.845 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.986 -2.186 7.073 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.937 -5.965 6.863 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.532 -3.752 7.220 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.486 -6.082 6.767 1.00 0.00 H new ATOM 1149 N GLY A 78 -0.957 -2.976 8.776 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.244 -2.311 8.891 1.00 0.00 C ATOM 1151 C GLY A 78 -2.934 -2.213 7.529 1.00 0.00 C ATOM 1152 O GLY A 78 -2.362 -2.597 6.510 1.00 0.00 O ATOM 0 H GLY A 78 -1.004 -3.944 8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.880 -2.859 9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.106 -1.312 9.305 1.00 0.00 H new ATOM 1156 N SER A 79 -4.154 -1.697 7.556 1.00 0.00 N ATOM 1157 CA SER A 79 -4.928 -1.543 6.336 1.00 0.00 C ATOM 1158 C SER A 79 -4.713 -0.146 5.751 1.00 0.00 C ATOM 1159 O SER A 79 -4.658 0.020 4.534 1.00 0.00 O ATOM 1160 CB SER A 79 -6.417 -1.787 6.593 1.00 0.00 C ATOM 1161 OG SER A 79 -6.953 -0.864 7.538 1.00 0.00 O ATOM 0 H SER A 79 -4.625 -1.380 8.403 1.00 0.00 H new ATOM 0 HA SER A 79 -4.584 -2.287 5.618 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.965 -1.705 5.655 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.560 -2.804 6.958 1.00 0.00 H new ATOM 0 HG SER A 79 -7.905 -1.051 7.674 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.596 0.824 6.647 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.388 2.202 6.235 1.00 0.00 C ATOM 1169 C GLU A 80 -2.900 2.464 5.993 1.00 0.00 C ATOM 1170 O GLU A 80 -2.117 2.535 6.939 1.00 0.00 O ATOM 1171 CB GLU A 80 -4.955 3.175 7.271 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.485 3.141 7.276 1.00 0.00 C ATOM 1173 CD GLU A 80 -7.058 4.362 7.996 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -6.887 4.424 9.233 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.656 5.207 7.294 1.00 0.00 O ATOM 0 H GLU A 80 -4.641 0.683 7.656 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.923 2.367 5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.579 2.917 8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.611 4.186 7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.855 3.112 6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.830 2.230 7.766 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.556 2.602 4.721 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.176 2.855 4.343 1.00 0.00 C ATOM 1184 C LEU A 81 -1.136 3.957 3.283 1.00 0.00 C ATOM 1185 O LEU A 81 -2.165 4.307 2.707 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.493 1.557 3.907 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.911 0.293 4.660 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.818 -0.940 3.758 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -0.097 0.125 5.945 1.00 0.00 C ATOM 0 H LEU A 81 -3.209 2.543 3.939 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.606 3.215 5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.689 1.405 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.584 1.682 4.017 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.956 0.400 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.121 -1.824 4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.476 -0.812 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.209 -1.062 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.414 -0.781 6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.962 0.050 5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.258 0.987 6.593 1.00 0.00 H new ATOM 1201 N ARG A 82 0.063 4.473 3.056 1.00 0.00 N ATOM 1202 CA ARG A 82 0.250 5.529 2.075 1.00 0.00 C ATOM 1203 C ARG A 82 1.255 5.090 1.008 1.00 0.00 C ATOM 1204 O ARG A 82 2.281 4.490 1.326 1.00 0.00 O ATOM 1205 CB ARG A 82 0.750 6.814 2.738 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.327 7.420 3.641 1.00 0.00 C ATOM 1207 CD ARG A 82 0.263 7.845 4.988 1.00 0.00 C ATOM 1208 NE ARG A 82 -0.824 8.222 5.919 1.00 0.00 N ATOM 1209 CZ ARG A 82 -1.455 9.403 5.897 1.00 0.00 C ATOM 1210 NH1 ARG A 82 -1.113 10.330 4.992 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -2.430 9.659 6.781 1.00 0.00 N ATOM 0 H ARG A 82 0.915 4.180 3.534 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.716 5.725 1.610 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.644 6.601 3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.036 7.535 1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.777 8.282 3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.123 6.693 3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.849 7.029 5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.942 8.686 4.848 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.110 7.540 6.621 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.371 10.136 4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.594 11.229 4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.691 8.954 7.470 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.910 10.559 6.764 1.00 0.00 H new ATOM 1225 N ILE A 83 0.924 5.405 -0.235 1.00 0.00 N ATOM 1226 CA ILE A 83 1.785 5.050 -1.351 1.00 0.00 C ATOM 1227 C ILE A 83 2.653 6.254 -1.723 1.00 0.00 C ATOM 1228 O ILE A 83 2.141 7.272 -2.187 1.00 0.00 O ATOM 1229 CB ILE A 83 0.955 4.506 -2.516 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.774 3.530 -3.363 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.375 5.646 -3.355 1.00 0.00 C ATOM 1232 CD1 ILE A 83 0.865 2.524 -4.072 1.00 0.00 C ATOM 0 H ILE A 83 0.072 5.902 -0.495 1.00 0.00 H new ATOM 0 HA ILE A 83 2.462 4.244 -1.069 1.00 0.00 H new ATOM 0 HB ILE A 83 0.113 3.948 -2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.356 4.083 -4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.484 3.000 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.210 5.232 -4.176 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.266 6.268 -2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.187 6.251 -3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.472 1.842 -4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.302 1.956 -3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.172 3.056 -4.724 1.00 0.00 H new ATOM 1244 N ILE A 84 3.950 6.097 -1.507 1.00 0.00 N ATOM 1245 CA ILE A 84 4.894 7.159 -1.814 1.00 0.00 C ATOM 1246 C ILE A 84 5.800 6.714 -2.963 1.00 0.00 C ATOM 1247 O ILE A 84 6.004 5.518 -3.170 1.00 0.00 O ATOM 1248 CB ILE A 84 5.657 7.578 -0.556 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.713 6.537 -0.183 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.695 7.859 0.601 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.094 6.949 -0.696 1.00 0.00 C ATOM 0 H ILE A 84 4.370 5.251 -1.123 1.00 0.00 H new ATOM 0 HA ILE A 84 4.367 8.051 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 84 6.184 8.508 -0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.744 6.417 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.439 5.569 -0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.263 8.155 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.014 8.663 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.121 6.959 0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.827 6.192 -0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.065 7.044 -1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.375 7.905 -0.255 1.00 0.00 H new ATOM 1263 N PRO A 85 6.334 7.725 -3.699 1.00 0.00 N ATOM 1264 CA PRO A 85 7.214 7.449 -4.822 1.00 0.00 C ATOM 1265 C PRO A 85 8.601 7.022 -4.339 1.00 0.00 C ATOM 1266 O PRO A 85 9.285 7.781 -3.654 1.00 0.00 O ATOM 1267 CB PRO A 85 7.236 8.737 -5.630 1.00 0.00 C ATOM 1268 CG PRO A 85 6.745 9.826 -4.690 1.00 0.00 C ATOM 1269 CD PRO A 85 6.114 9.152 -3.483 1.00 0.00 C ATOM 0 HA PRO A 85 6.867 6.617 -5.434 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.241 8.955 -5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.594 8.659 -6.507 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.572 10.465 -4.381 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.019 10.465 -5.193 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.576 9.488 -2.555 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.051 9.383 -3.411 1.00 0.00 H new ATOM 1277 N ARG A 86 8.976 5.808 -4.715 1.00 0.00 N ATOM 1278 CA ARG A 86 10.270 5.271 -4.329 1.00 0.00 C ATOM 1279 C ARG A 86 11.289 5.485 -5.450 1.00 0.00 C ATOM 1280 O ARG A 86 10.955 5.373 -6.628 1.00 0.00 O ATOM 1281 CB ARG A 86 10.174 3.777 -4.015 1.00 0.00 C ATOM 1282 CG ARG A 86 11.013 3.420 -2.786 1.00 0.00 C ATOM 1283 CD ARG A 86 12.232 2.583 -3.178 1.00 0.00 C ATOM 1284 NE ARG A 86 12.569 1.639 -2.089 1.00 0.00 N ATOM 1285 CZ ARG A 86 11.857 0.543 -1.797 1.00 0.00 C ATOM 1286 NH1 ARG A 86 10.763 0.245 -2.511 1.00 0.00 N ATOM 1287 NH2 ARG A 86 12.238 -0.256 -0.791 1.00 0.00 N ATOM 0 H ARG A 86 8.406 5.181 -5.283 1.00 0.00 H new ATOM 0 HA ARG A 86 10.595 5.799 -3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.133 3.505 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.516 3.199 -4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.339 4.332 -2.287 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.402 2.867 -2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.026 2.033 -4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.081 3.235 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 86 13.396 1.836 -1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.473 0.853 -3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.221 -0.590 -2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.071 -0.030 -0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.695 -1.091 -0.569 1.00 0.00 H new