USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 804 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 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.078) USER MOD Single : A 17 ASN : amide:sc= -0.78 K(o=-0.78,f=-2.5!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -35:sc= 1.47 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -142:sc= -5.29! (180deg=-9.54!) USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.0527 USER MOD Single : A 38 ASN : amide:sc= -2 K(o=-2,f=-11!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 100:sc= -0.214 USER MOD Single : A 48 CYS SG : rot 180:sc= 0.0349 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -124:sc= 0.0465 (180deg=-0.0665) USER MOD Single : A 61 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.38!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.32 K(o=-0.32,f=-2.2!) USER MOD Single : A 109 ASN : amide:sc= 0.596 K(o=0.6,f=-0.88) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -3.03! X(o=-3!,f=-3.2) USER MOD Single : A 118 GLN : amide:sc= -0.813 X(o=-0.81,f=-0.92) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 CYS SG : rot -79:sc= 0.941 USER MOD Single : A 124 HIS :FLIP no HD1:sc= -0.591 F(o=-2.6,f=-0.59) USER MOD Single : A 125 MET CE :methyl -171:sc= -0.894! (180deg=-0.995!) USER MOD Single : A 128 GLN : amide:sc= -0.354 K(o=-0.35,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 77 N ASN A 9 -21.788 -11.582 -11.709 1.00 0.00 N ATOM 78 CA ASN A 9 -21.379 -10.980 -10.452 1.00 0.00 C ATOM 79 C ASN A 9 -19.979 -10.382 -10.610 1.00 0.00 C ATOM 80 O ASN A 9 -19.139 -10.938 -11.316 1.00 0.00 O ATOM 81 CB ASN A 9 -21.324 -12.023 -9.334 1.00 0.00 C ATOM 82 CG ASN A 9 -20.576 -13.277 -9.790 1.00 0.00 C ATOM 83 OD1 ASN A 9 -21.133 -14.176 -10.399 1.00 0.00 O ATOM 84 ND2 ASN A 9 -19.287 -13.288 -9.464 1.00 0.00 N ATOM 0 HA ASN A 9 -22.108 -10.212 -10.193 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.830 -11.599 -8.460 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -22.336 -12.289 -9.030 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.702 -14.082 -9.725 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.883 -12.503 -8.953 1.00 0.00 H new ATOM 91 N PHE A 10 -19.772 -9.257 -9.941 1.00 0.00 N ATOM 92 CA PHE A 10 -18.489 -8.578 -9.998 1.00 0.00 C ATOM 93 C PHE A 10 -18.222 -7.800 -8.708 1.00 0.00 C ATOM 94 O PHE A 10 -19.068 -7.028 -8.258 1.00 0.00 O ATOM 95 CB PHE A 10 -18.555 -7.595 -11.168 1.00 0.00 C ATOM 96 CG PHE A 10 -19.437 -6.373 -10.905 1.00 0.00 C ATOM 97 CD1 PHE A 10 -18.947 -5.320 -10.198 1.00 0.00 C ATOM 98 CD2 PHE A 10 -20.712 -6.339 -11.379 1.00 0.00 C ATOM 99 CE1 PHE A 10 -19.766 -4.186 -9.953 1.00 0.00 C ATOM 100 CE2 PHE A 10 -21.531 -5.205 -11.135 1.00 0.00 C ATOM 101 CZ PHE A 10 -21.041 -4.153 -10.427 1.00 0.00 C ATOM 0 H PHE A 10 -20.471 -8.799 -9.357 1.00 0.00 H new ATOM 0 HA PHE A 10 -17.688 -9.307 -10.123 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -17.546 -7.258 -11.403 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -18.930 -8.118 -12.048 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -17.935 -5.346 -9.823 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -21.101 -7.175 -11.941 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -19.377 -3.350 -9.391 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -22.543 -5.178 -11.512 1.00 0.00 H new ATOM 0 HZ PHE A 10 -21.664 -3.291 -10.241 1.00 0.00 H new ATOM 111 N LEU A 11 -17.043 -8.029 -8.149 1.00 0.00 N ATOM 112 CA LEU A 11 -16.654 -7.359 -6.920 1.00 0.00 C ATOM 113 C LEU A 11 -15.329 -6.627 -7.140 1.00 0.00 C ATOM 114 O LEU A 11 -14.274 -7.255 -7.216 1.00 0.00 O ATOM 115 CB LEU A 11 -16.623 -8.352 -5.756 1.00 0.00 C ATOM 116 CG LEU A 11 -15.983 -7.846 -4.461 1.00 0.00 C ATOM 117 CD1 LEU A 11 -17.018 -7.152 -3.573 1.00 0.00 C ATOM 118 CD2 LEU A 11 -15.265 -8.980 -3.726 1.00 0.00 C ATOM 0 H LEU A 11 -16.344 -8.670 -8.525 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.392 -6.605 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -17.646 -8.657 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.086 -9.244 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.230 -7.102 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.537 -6.802 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.445 -6.303 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.810 -7.856 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.819 -8.594 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.981 -9.764 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.483 -9.390 -4.365 1.00 0.00 H new ATOM 130 N GLU A 12 -15.426 -5.309 -7.236 1.00 0.00 N ATOM 131 CA GLU A 12 -14.248 -4.485 -7.446 1.00 0.00 C ATOM 132 C GLU A 12 -14.244 -3.306 -6.470 1.00 0.00 C ATOM 133 O GLU A 12 -15.269 -2.992 -5.868 1.00 0.00 O ATOM 134 CB GLU A 12 -14.170 -3.999 -8.894 1.00 0.00 C ATOM 135 CG GLU A 12 -14.055 -5.177 -9.863 1.00 0.00 C ATOM 136 CD GLU A 12 -12.651 -5.255 -10.467 1.00 0.00 C ATOM 137 OE1 GLU A 12 -12.311 -4.327 -11.232 1.00 0.00 O ATOM 138 OE2 GLU A 12 -11.951 -6.241 -10.151 1.00 0.00 O ATOM 0 H GLU A 12 -16.303 -4.791 -7.172 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.364 -5.093 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.057 -3.413 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.310 -3.340 -9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.282 -6.106 -9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.792 -5.071 -10.659 1.00 0.00 H new ATOM 145 N ILE A 13 -13.080 -2.687 -6.345 1.00 0.00 N ATOM 146 CA ILE A 13 -12.929 -1.550 -5.454 1.00 0.00 C ATOM 147 C ILE A 13 -12.129 -0.454 -6.161 1.00 0.00 C ATOM 148 O ILE A 13 -11.390 -0.732 -7.105 1.00 0.00 O ATOM 149 CB ILE A 13 -12.322 -1.991 -4.120 1.00 0.00 C ATOM 150 CG1 ILE A 13 -13.304 -2.859 -3.331 1.00 0.00 C ATOM 151 CG2 ILE A 13 -11.844 -0.784 -3.310 1.00 0.00 C ATOM 152 CD1 ILE A 13 -12.682 -4.213 -2.985 1.00 0.00 C ATOM 0 H ILE A 13 -12.232 -2.952 -6.846 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.903 -1.126 -5.210 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.446 -2.605 -4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.596 -2.344 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.212 -3.010 -3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.417 -1.125 -2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.087 -0.242 -3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.688 -0.124 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.401 -4.811 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.414 -4.735 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.788 -4.059 -2.381 1.00 0.00 H new ATOM 164 N ASP A 14 -12.304 0.767 -5.679 1.00 0.00 N ATOM 165 CA ASP A 14 -11.607 1.905 -6.254 1.00 0.00 C ATOM 166 C ASP A 14 -10.888 2.672 -5.142 1.00 0.00 C ATOM 167 O ASP A 14 -11.477 2.961 -4.101 1.00 0.00 O ATOM 168 CB ASP A 14 -12.586 2.865 -6.933 1.00 0.00 C ATOM 169 CG ASP A 14 -12.943 2.509 -8.377 1.00 0.00 C ATOM 170 OD1 ASP A 14 -13.143 1.301 -8.631 1.00 0.00 O ATOM 171 OD2 ASP A 14 -13.009 3.452 -9.195 1.00 0.00 O ATOM 0 H ASP A 14 -12.918 0.994 -4.897 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.900 1.529 -6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.504 2.900 -6.346 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.159 3.868 -6.917 1.00 0.00 H new ATOM 176 N ILE A 15 -9.626 2.981 -5.401 1.00 0.00 N ATOM 177 CA ILE A 15 -8.820 3.708 -4.435 1.00 0.00 C ATOM 178 C ILE A 15 -8.190 4.925 -5.116 1.00 0.00 C ATOM 179 O ILE A 15 -7.171 4.803 -5.794 1.00 0.00 O ATOM 180 CB ILE A 15 -7.801 2.776 -3.776 1.00 0.00 C ATOM 181 CG1 ILE A 15 -8.419 1.407 -3.484 1.00 0.00 C ATOM 182 CG2 ILE A 15 -7.205 3.416 -2.520 1.00 0.00 C ATOM 183 CD1 ILE A 15 -7.791 0.777 -2.239 1.00 0.00 C ATOM 0 H ILE A 15 -9.142 2.741 -6.266 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.444 4.083 -3.624 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.981 2.616 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.494 1.513 -3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.276 0.749 -4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.484 2.733 -2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.705 4.347 -2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.001 3.625 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.248 -0.195 -2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.720 0.651 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.957 1.426 -1.379 1.00 0.00 H new ATOM 195 N PHE A 16 -8.823 6.071 -4.913 1.00 0.00 N ATOM 196 CA PHE A 16 -8.337 7.309 -5.499 1.00 0.00 C ATOM 197 C PHE A 16 -8.744 8.514 -4.649 1.00 0.00 C ATOM 198 O PHE A 16 -9.320 8.355 -3.575 1.00 0.00 O ATOM 199 CB PHE A 16 -8.982 7.432 -6.881 1.00 0.00 C ATOM 200 CG PHE A 16 -10.508 7.541 -6.848 1.00 0.00 C ATOM 201 CD1 PHE A 16 -11.271 6.416 -6.879 1.00 0.00 C ATOM 202 CD2 PHE A 16 -11.101 8.763 -6.787 1.00 0.00 C ATOM 203 CE1 PHE A 16 -12.687 6.516 -6.849 1.00 0.00 C ATOM 204 CE2 PHE A 16 -12.518 8.864 -6.756 1.00 0.00 C ATOM 205 CZ PHE A 16 -13.280 7.739 -6.788 1.00 0.00 C ATOM 0 H PHE A 16 -9.668 6.168 -4.351 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.249 7.292 -5.558 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.576 8.310 -7.383 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.703 6.565 -7.479 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -10.800 5.445 -6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.495 9.657 -6.762 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.293 5.622 -6.875 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.989 9.834 -6.707 1.00 0.00 H new ATOM 0 HZ PHE A 16 -14.357 7.816 -6.765 1.00 0.00 H new ATOM 215 N ASN A 17 -8.427 9.694 -5.163 1.00 0.00 N ATOM 216 CA ASN A 17 -8.752 10.926 -4.465 1.00 0.00 C ATOM 217 C ASN A 17 -7.918 11.018 -3.186 1.00 0.00 C ATOM 218 O ASN A 17 -8.445 10.868 -2.085 1.00 0.00 O ATOM 219 CB ASN A 17 -10.229 10.962 -4.070 1.00 0.00 C ATOM 220 CG ASN A 17 -10.820 12.357 -4.281 1.00 0.00 C ATOM 221 OD1 ASN A 17 -10.293 13.179 -5.012 1.00 0.00 O ATOM 222 ND2 ASN A 17 -11.941 12.578 -3.600 1.00 0.00 N ATOM 0 H ASN A 17 -7.949 9.822 -6.055 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.537 11.759 -5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.785 10.235 -4.661 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.337 10.672 -3.025 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.412 13.480 -3.672 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.329 11.846 -3.005 1.00 0.00 H new ATOM 229 N PRO A 18 -6.595 11.270 -3.379 1.00 0.00 N ATOM 230 CA PRO A 18 -5.683 11.384 -2.254 1.00 0.00 C ATOM 231 C PRO A 18 -5.868 12.719 -1.531 1.00 0.00 C ATOM 232 O PRO A 18 -6.084 13.749 -2.168 1.00 0.00 O ATOM 233 CB PRO A 18 -4.296 11.220 -2.854 1.00 0.00 C ATOM 234 CG PRO A 18 -4.452 11.485 -4.342 1.00 0.00 C ATOM 235 CD PRO A 18 -5.936 11.453 -4.669 1.00 0.00 C ATOM 0 HA PRO A 18 -5.863 10.629 -1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.591 11.919 -2.405 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.909 10.217 -2.674 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.024 12.453 -4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.917 10.733 -4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.256 12.378 -5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.173 10.639 -5.354 1.00 0.00 H new ATOM 243 N GLN A 19 -5.776 12.659 -0.211 1.00 0.00 N ATOM 244 CA GLN A 19 -5.930 13.851 0.606 1.00 0.00 C ATOM 245 C GLN A 19 -4.882 13.870 1.721 1.00 0.00 C ATOM 246 O GLN A 19 -4.864 12.986 2.576 1.00 0.00 O ATOM 247 CB GLN A 19 -7.345 13.941 1.182 1.00 0.00 C ATOM 248 CG GLN A 19 -7.918 15.350 1.010 1.00 0.00 C ATOM 249 CD GLN A 19 -9.276 15.478 1.703 1.00 0.00 C ATOM 250 OE1 GLN A 19 -9.400 15.353 2.910 1.00 0.00 O ATOM 251 NE2 GLN A 19 -10.284 15.734 0.874 1.00 0.00 N ATOM 0 H GLN A 19 -5.597 11.803 0.314 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.774 14.724 -0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.991 13.218 0.684 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.329 13.678 2.240 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.224 16.082 1.424 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.024 15.576 -0.051 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.110 15.827 -0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.231 15.838 1.239 1.00 0.00 H new ATOM 260 N THR A 20 -4.035 14.888 1.675 1.00 0.00 N ATOM 261 CA THR A 20 -2.987 15.034 2.670 1.00 0.00 C ATOM 262 C THR A 20 -3.401 16.050 3.736 1.00 0.00 C ATOM 263 O THR A 20 -4.105 17.014 3.439 1.00 0.00 O ATOM 264 CB THR A 20 -1.694 15.408 1.944 1.00 0.00 C ATOM 265 OG1 THR A 20 -1.245 14.180 1.378 1.00 0.00 O ATOM 266 CG2 THR A 20 -0.574 15.805 2.908 1.00 0.00 C ATOM 0 H THR A 20 -4.053 15.619 0.964 1.00 0.00 H new ATOM 0 HA THR A 20 -2.817 14.100 3.205 1.00 0.00 H new ATOM 0 HB THR A 20 -1.890 16.231 1.257 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.411 14.332 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.321 16.061 2.341 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.889 16.667 3.497 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.355 14.971 3.574 1.00 0.00 H new ATOM 412 N THR A 30 -4.988 10.280 2.519 1.00 0.00 N ATOM 413 CA THR A 30 -6.145 9.403 2.587 1.00 0.00 C ATOM 414 C THR A 30 -6.773 9.240 1.201 1.00 0.00 C ATOM 415 O THR A 30 -6.915 10.213 0.462 1.00 0.00 O ATOM 416 CB THR A 30 -7.110 9.973 3.628 1.00 0.00 C ATOM 417 OG1 THR A 30 -6.968 11.385 3.496 1.00 0.00 O ATOM 418 CG2 THR A 30 -6.660 9.686 5.062 1.00 0.00 C ATOM 0 HA THR A 30 -5.862 8.398 2.901 1.00 0.00 H new ATOM 0 HB THR A 30 -8.104 9.555 3.469 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.038 11.601 3.277 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.380 10.112 5.761 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.599 8.609 5.215 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.680 10.133 5.232 1.00 0.00 H new ATOM 426 N TYR A 31 -7.131 8.003 0.890 1.00 0.00 N ATOM 427 CA TYR A 31 -7.740 7.701 -0.394 1.00 0.00 C ATOM 428 C TYR A 31 -9.207 7.300 -0.224 1.00 0.00 C ATOM 429 O TYR A 31 -9.622 6.896 0.862 1.00 0.00 O ATOM 430 CB TYR A 31 -6.962 6.512 -0.960 1.00 0.00 C ATOM 431 CG TYR A 31 -5.443 6.642 -0.826 1.00 0.00 C ATOM 432 CD1 TYR A 31 -4.808 6.172 0.306 1.00 0.00 C ATOM 433 CD2 TYR A 31 -4.708 7.228 -1.836 1.00 0.00 C ATOM 434 CE1 TYR A 31 -3.379 6.294 0.433 1.00 0.00 C ATOM 435 CE2 TYR A 31 -3.279 7.350 -1.709 1.00 0.00 C ATOM 436 CZ TYR A 31 -2.685 6.877 -0.581 1.00 0.00 C ATOM 437 OH TYR A 31 -1.335 6.992 -0.461 1.00 0.00 O ATOM 0 H TYR A 31 -7.011 7.198 1.505 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.708 8.572 -1.048 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.285 5.604 -0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.215 6.394 -2.014 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.383 5.713 1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.205 7.595 -2.722 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.870 5.931 1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.692 7.807 -2.492 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.971 7.427 -1.260 1.00 0.00 H new ATOM 447 N GLU A 32 -9.952 7.426 -1.312 1.00 0.00 N ATOM 448 CA GLU A 32 -11.364 7.082 -1.297 1.00 0.00 C ATOM 449 C GLU A 32 -11.550 5.593 -1.596 1.00 0.00 C ATOM 450 O GLU A 32 -11.423 5.166 -2.742 1.00 0.00 O ATOM 451 CB GLU A 32 -12.148 7.943 -2.289 1.00 0.00 C ATOM 452 CG GLU A 32 -12.626 9.239 -1.631 1.00 0.00 C ATOM 453 CD GLU A 32 -14.154 9.286 -1.558 1.00 0.00 C ATOM 454 OE1 GLU A 32 -14.729 8.291 -1.066 1.00 0.00 O ATOM 455 OE2 GLU A 32 -14.712 10.315 -1.995 1.00 0.00 O ATOM 0 H GLU A 32 -9.605 7.762 -2.210 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.758 7.284 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.520 8.177 -3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.005 7.383 -2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.208 9.317 -0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.259 10.095 -2.197 1.00 0.00 H new ATOM 462 N VAL A 33 -11.849 4.844 -0.544 1.00 0.00 N ATOM 463 CA VAL A 33 -12.055 3.412 -0.680 1.00 0.00 C ATOM 464 C VAL A 33 -13.501 3.147 -1.102 1.00 0.00 C ATOM 465 O VAL A 33 -14.396 3.088 -0.260 1.00 0.00 O ATOM 466 CB VAL A 33 -11.671 2.703 0.621 1.00 0.00 C ATOM 467 CG1 VAL A 33 -11.906 1.195 0.513 1.00 0.00 C ATOM 468 CG2 VAL A 33 -10.222 3.007 1.004 1.00 0.00 C ATOM 0 H VAL A 33 -11.953 5.202 0.405 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.410 3.005 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.314 3.086 1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.625 0.715 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.960 1.005 0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.301 0.790 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.975 2.491 1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.557 2.666 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.100 4.081 1.143 1.00 0.00 H new ATOM 478 N ARG A 34 -13.685 2.993 -2.405 1.00 0.00 N ATOM 479 CA ARG A 34 -15.007 2.735 -2.949 1.00 0.00 C ATOM 480 C ARG A 34 -15.118 1.279 -3.407 1.00 0.00 C ATOM 481 O ARG A 34 -14.383 0.846 -4.294 1.00 0.00 O ATOM 482 CB ARG A 34 -15.307 3.659 -4.131 1.00 0.00 C ATOM 483 CG ARG A 34 -16.697 4.283 -4.000 1.00 0.00 C ATOM 484 CD ARG A 34 -16.937 5.323 -5.097 1.00 0.00 C ATOM 485 NE ARG A 34 -17.078 4.652 -6.409 1.00 0.00 N ATOM 486 CZ ARG A 34 -17.208 5.301 -7.574 1.00 0.00 C ATOM 487 NH1 ARG A 34 -17.216 6.640 -7.598 1.00 0.00 N ATOM 488 NH2 ARG A 34 -17.330 4.609 -8.715 1.00 0.00 N ATOM 0 H ARG A 34 -12.940 3.042 -3.100 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.733 2.927 -2.159 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -14.555 4.446 -4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.243 3.096 -5.062 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.457 3.504 -4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.798 4.752 -3.021 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.836 5.897 -4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.107 6.029 -5.128 1.00 0.00 H new ATOM 0 HE ARG A 34 -17.076 3.632 -6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.123 7.166 -6.729 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -17.315 7.134 -8.485 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -17.324 3.589 -8.696 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.429 5.102 -9.602 1.00 0.00 H new ATOM 502 N MET A 35 -16.042 0.564 -2.782 1.00 0.00 N ATOM 503 CA MET A 35 -16.258 -0.833 -3.115 1.00 0.00 C ATOM 504 C MET A 35 -17.646 -1.044 -3.724 1.00 0.00 C ATOM 505 O MET A 35 -18.614 -0.411 -3.305 1.00 0.00 O ATOM 506 CB MET A 35 -16.120 -1.686 -1.852 1.00 0.00 C ATOM 507 CG MET A 35 -16.335 -3.168 -2.165 1.00 0.00 C ATOM 508 SD MET A 35 -17.000 -4.004 -0.735 1.00 0.00 S ATOM 509 CE MET A 35 -18.720 -4.100 -1.204 1.00 0.00 C ATOM 0 H MET A 35 -16.649 0.926 -2.047 1.00 0.00 H new ATOM 0 HA MET A 35 -15.510 -1.131 -3.850 1.00 0.00 H new ATOM 0 HB2 MET A 35 -15.130 -1.542 -1.418 1.00 0.00 H new ATOM 0 HB3 MET A 35 -16.845 -1.359 -1.107 1.00 0.00 H new ATOM 0 HG2 MET A 35 -17.017 -3.275 -3.009 1.00 0.00 H new ATOM 0 HG3 MET A 35 -15.391 -3.627 -2.458 1.00 0.00 H new ATOM 0 HE1 MET A 35 -19.346 -3.938 -0.326 1.00 0.00 H new ATOM 0 HE2 MET A 35 -18.937 -3.336 -1.950 1.00 0.00 H new ATOM 0 HE3 MET A 35 -18.929 -5.085 -1.622 1.00 0.00 H new ATOM 519 N ARG A 36 -17.699 -1.935 -4.703 1.00 0.00 N ATOM 520 CA ARG A 36 -18.952 -2.236 -5.374 1.00 0.00 C ATOM 521 C ARG A 36 -19.088 -3.745 -5.590 1.00 0.00 C ATOM 522 O ARG A 36 -18.091 -4.443 -5.765 1.00 0.00 O ATOM 523 CB ARG A 36 -19.038 -1.524 -6.726 1.00 0.00 C ATOM 524 CG ARG A 36 -20.430 -0.928 -6.943 1.00 0.00 C ATOM 525 CD ARG A 36 -20.831 -0.995 -8.418 1.00 0.00 C ATOM 526 NE ARG A 36 -21.159 0.359 -8.916 1.00 0.00 N ATOM 527 CZ ARG A 36 -22.243 1.054 -8.543 1.00 0.00 C ATOM 528 NH1 ARG A 36 -23.109 0.526 -7.668 1.00 0.00 N ATOM 529 NH2 ARG A 36 -22.460 2.277 -9.046 1.00 0.00 N ATOM 0 H ARG A 36 -16.894 -2.458 -5.048 1.00 0.00 H new ATOM 0 HA ARG A 36 -19.763 -1.881 -4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.289 -0.734 -6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -18.811 -2.228 -7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -21.159 -1.468 -6.339 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -20.442 0.108 -6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -20.017 -1.420 -9.005 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -21.690 -1.654 -8.540 1.00 0.00 H new ATOM 0 HE ARG A 36 -20.521 0.790 -9.585 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -22.944 -0.405 -7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -23.934 1.055 -7.384 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -21.801 2.679 -9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -23.285 2.806 -8.762 1.00 0.00 H new ATOM 543 N THR A 37 -20.331 -4.203 -5.571 1.00 0.00 N ATOM 544 CA THR A 37 -20.611 -5.616 -5.763 1.00 0.00 C ATOM 545 C THR A 37 -22.117 -5.846 -5.908 1.00 0.00 C ATOM 546 O THR A 37 -22.917 -4.976 -5.568 1.00 0.00 O ATOM 547 CB THR A 37 -19.989 -6.384 -4.595 1.00 0.00 C ATOM 548 OG1 THR A 37 -19.945 -7.733 -5.051 1.00 0.00 O ATOM 549 CG2 THR A 37 -20.907 -6.434 -3.372 1.00 0.00 C ATOM 0 H THR A 37 -21.156 -3.621 -5.426 1.00 0.00 H new ATOM 0 HA THR A 37 -20.167 -5.985 -6.687 1.00 0.00 H new ATOM 0 HB THR A 37 -19.042 -5.920 -4.319 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.705 -8.323 -4.306 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.418 -6.990 -2.572 1.00 0.00 H new ATOM 0 HG22 THR A 37 -21.117 -5.420 -3.033 1.00 0.00 H new ATOM 0 HG23 THR A 37 -21.841 -6.928 -3.638 1.00 0.00 H new ATOM 557 N ASN A 38 -22.457 -7.023 -6.413 1.00 0.00 N ATOM 558 CA ASN A 38 -23.852 -7.379 -6.608 1.00 0.00 C ATOM 559 C ASN A 38 -24.163 -8.655 -5.823 1.00 0.00 C ATOM 560 O ASN A 38 -25.214 -9.264 -6.013 1.00 0.00 O ATOM 561 CB ASN A 38 -24.152 -7.646 -8.084 1.00 0.00 C ATOM 562 CG ASN A 38 -22.932 -8.239 -8.792 1.00 0.00 C ATOM 563 OD1 ASN A 38 -22.113 -8.924 -8.204 1.00 0.00 O ATOM 564 ND2 ASN A 38 -22.859 -7.938 -10.086 1.00 0.00 N ATOM 0 H ASN A 38 -21.790 -7.742 -6.693 1.00 0.00 H new ATOM 0 HA ASN A 38 -24.464 -6.546 -6.261 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -24.995 -8.331 -8.169 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -24.445 -6.717 -8.573 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.082 -8.287 -10.648 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -23.580 -7.359 -10.516 1.00 0.00 H new ATOM 571 N LEU A 39 -23.229 -9.022 -4.958 1.00 0.00 N ATOM 572 CA LEU A 39 -23.389 -10.215 -4.145 1.00 0.00 C ATOM 573 C LEU A 39 -24.245 -9.881 -2.921 1.00 0.00 C ATOM 574 O LEU A 39 -24.305 -8.728 -2.497 1.00 0.00 O ATOM 575 CB LEU A 39 -22.025 -10.813 -3.796 1.00 0.00 C ATOM 576 CG LEU A 39 -21.050 -10.985 -4.963 1.00 0.00 C ATOM 577 CD1 LEU A 39 -19.677 -11.442 -4.467 1.00 0.00 C ATOM 578 CD2 LEU A 39 -21.622 -11.931 -6.020 1.00 0.00 C ATOM 0 H LEU A 39 -22.358 -8.514 -4.803 1.00 0.00 H new ATOM 0 HA LEU A 39 -23.917 -10.988 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -21.554 -10.179 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -22.185 -11.788 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 39 -20.913 -10.015 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -19.003 -11.557 -5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.272 -10.699 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.776 -12.397 -3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -20.910 -12.036 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -21.807 -12.908 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -22.558 -11.525 -6.404 1.00 0.00 H new ATOM 590 N PRO A 40 -24.902 -10.938 -2.374 1.00 0.00 N ATOM 591 CA PRO A 40 -25.752 -10.768 -1.207 1.00 0.00 C ATOM 592 C PRO A 40 -24.914 -10.589 0.060 1.00 0.00 C ATOM 593 O PRO A 40 -25.275 -9.812 0.943 1.00 0.00 O ATOM 594 CB PRO A 40 -26.624 -12.013 -1.171 1.00 0.00 C ATOM 595 CG PRO A 40 -25.918 -13.042 -2.039 1.00 0.00 C ATOM 596 CD PRO A 40 -24.854 -12.318 -2.849 1.00 0.00 C ATOM 0 HA PRO A 40 -26.366 -9.869 -1.261 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.742 -12.378 -0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -27.623 -11.801 -1.551 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -25.465 -13.817 -1.420 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -26.630 -13.537 -2.700 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.869 -12.757 -2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -25.062 -12.377 -3.917 1.00 0.00 H new ATOM 604 N ILE A 41 -23.810 -11.320 0.110 1.00 0.00 N ATOM 605 CA ILE A 41 -22.918 -11.252 1.255 1.00 0.00 C ATOM 606 C ILE A 41 -22.841 -9.806 1.750 1.00 0.00 C ATOM 607 O ILE A 41 -22.928 -9.552 2.950 1.00 0.00 O ATOM 608 CB ILE A 41 -21.556 -11.856 0.909 1.00 0.00 C ATOM 609 CG1 ILE A 41 -20.713 -10.877 0.090 1.00 0.00 C ATOM 610 CG2 ILE A 41 -21.717 -13.203 0.202 1.00 0.00 C ATOM 611 CD1 ILE A 41 -19.295 -11.414 -0.118 1.00 0.00 C ATOM 0 H ILE A 41 -23.513 -11.963 -0.624 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.307 -11.851 2.078 1.00 0.00 H new ATOM 0 HB ILE A 41 -21.020 -12.042 1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -21.186 -10.705 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -20.670 -9.914 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -20.734 -13.611 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -22.250 -13.895 0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.282 -13.065 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -18.717 -10.699 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -18.816 -11.562 0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -19.340 -12.365 -0.649 1.00 0.00 H new ATOM 623 N PHE A 42 -22.680 -8.897 0.800 1.00 0.00 N ATOM 624 CA PHE A 42 -22.590 -7.483 1.125 1.00 0.00 C ATOM 625 C PHE A 42 -23.982 -6.867 1.281 1.00 0.00 C ATOM 626 O PHE A 42 -24.823 -6.993 0.392 1.00 0.00 O ATOM 627 CB PHE A 42 -21.871 -6.801 -0.040 1.00 0.00 C ATOM 628 CG PHE A 42 -20.385 -7.150 -0.144 1.00 0.00 C ATOM 629 CD1 PHE A 42 -19.992 -8.254 -0.835 1.00 0.00 C ATOM 630 CD2 PHE A 42 -19.456 -6.357 0.454 1.00 0.00 C ATOM 631 CE1 PHE A 42 -18.613 -8.578 -0.931 1.00 0.00 C ATOM 632 CE2 PHE A 42 -18.077 -6.681 0.358 1.00 0.00 C ATOM 633 CZ PHE A 42 -17.685 -7.785 -0.333 1.00 0.00 C ATOM 0 H PHE A 42 -22.610 -9.112 -0.195 1.00 0.00 H new ATOM 0 HA PHE A 42 -22.056 -7.351 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.365 -7.079 -0.971 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.974 -5.721 0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -20.729 -8.884 -1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -19.767 -5.480 1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.301 -9.455 -1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.340 -6.051 0.833 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.636 -8.032 -0.407 1.00 0.00 H new ATOM 643 N LYS A 43 -24.182 -6.214 2.416 1.00 0.00 N ATOM 644 CA LYS A 43 -25.457 -5.578 2.699 1.00 0.00 C ATOM 645 C LYS A 43 -25.618 -4.346 1.806 1.00 0.00 C ATOM 646 O LYS A 43 -26.699 -4.097 1.275 1.00 0.00 O ATOM 647 CB LYS A 43 -25.585 -5.275 4.193 1.00 0.00 C ATOM 648 CG LYS A 43 -27.031 -4.942 4.564 1.00 0.00 C ATOM 649 CD LYS A 43 -27.152 -4.603 6.051 1.00 0.00 C ATOM 650 CE LYS A 43 -28.618 -4.564 6.487 1.00 0.00 C ATOM 651 NZ LYS A 43 -28.724 -4.662 7.960 1.00 0.00 N ATOM 0 H LYS A 43 -23.482 -6.112 3.151 1.00 0.00 H new ATOM 0 HA LYS A 43 -26.279 -6.253 2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -25.246 -6.134 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -24.937 -4.438 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -27.379 -4.100 3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -27.675 -5.789 4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -26.613 -5.344 6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -26.685 -3.638 6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -29.081 -3.639 6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -29.164 -5.385 6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -29.726 -4.634 8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -28.301 -5.556 8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -28.220 -3.864 8.398 1.00 0.00 H new ATOM 665 N LEU A 44 -24.526 -3.609 1.667 1.00 0.00 N ATOM 666 CA LEU A 44 -24.532 -2.410 0.847 1.00 0.00 C ATOM 667 C LEU A 44 -23.962 -2.738 -0.534 1.00 0.00 C ATOM 668 O LEU A 44 -23.003 -3.500 -0.648 1.00 0.00 O ATOM 669 CB LEU A 44 -23.800 -1.270 1.559 1.00 0.00 C ATOM 670 CG LEU A 44 -24.027 -1.166 3.069 1.00 0.00 C ATOM 671 CD1 LEU A 44 -23.283 0.035 3.654 1.00 0.00 C ATOM 672 CD2 LEU A 44 -25.521 -1.130 3.397 1.00 0.00 C ATOM 0 H LEU A 44 -23.631 -3.819 2.109 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.552 -2.058 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.731 -1.383 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -24.102 -0.328 1.101 1.00 0.00 H new ATOM 0 HG LEU A 44 -23.615 -2.059 3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -23.461 0.086 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -22.214 -0.073 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -23.642 0.950 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -25.655 -1.056 4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -25.979 -0.266 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -25.995 -2.042 3.034 1.00 0.00 H new ATOM 684 N LYS A 45 -24.576 -2.147 -1.548 1.00 0.00 N ATOM 685 CA LYS A 45 -24.142 -2.368 -2.917 1.00 0.00 C ATOM 686 C LYS A 45 -22.876 -1.551 -3.184 1.00 0.00 C ATOM 687 O LYS A 45 -22.037 -1.946 -3.992 1.00 0.00 O ATOM 688 CB LYS A 45 -25.282 -2.074 -3.895 1.00 0.00 C ATOM 689 CG LYS A 45 -26.491 -2.967 -3.611 1.00 0.00 C ATOM 690 CD LYS A 45 -26.281 -4.371 -4.180 1.00 0.00 C ATOM 691 CE LYS A 45 -27.462 -5.283 -3.839 1.00 0.00 C ATOM 692 NZ LYS A 45 -28.295 -5.522 -5.039 1.00 0.00 N ATOM 0 H LYS A 45 -25.371 -1.515 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.884 -3.416 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.573 -1.026 -3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -24.939 -2.234 -4.917 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.658 -3.028 -2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -27.386 -2.524 -4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -26.161 -4.315 -5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.361 -4.796 -3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -27.095 -6.232 -3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -28.066 -4.828 -3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -29.092 -6.142 -4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -28.660 -4.615 -5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -27.719 -5.976 -5.776 1.00 0.00 H new ATOM 706 N GLU A 46 -22.779 -0.426 -2.490 1.00 0.00 N ATOM 707 CA GLU A 46 -21.630 0.450 -2.642 1.00 0.00 C ATOM 708 C GLU A 46 -21.449 1.310 -1.390 1.00 0.00 C ATOM 709 O GLU A 46 -22.428 1.720 -0.767 1.00 0.00 O ATOM 710 CB GLU A 46 -21.767 1.322 -3.892 1.00 0.00 C ATOM 711 CG GLU A 46 -20.487 2.122 -4.145 1.00 0.00 C ATOM 712 CD GLU A 46 -20.800 3.606 -4.348 1.00 0.00 C ATOM 713 OE1 GLU A 46 -21.132 4.260 -3.335 1.00 0.00 O ATOM 714 OE2 GLU A 46 -20.700 4.053 -5.511 1.00 0.00 O ATOM 0 H GLU A 46 -23.477 -0.101 -1.821 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.740 -0.168 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -21.984 0.694 -4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -22.609 2.004 -3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -19.806 2.002 -3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -19.977 1.730 -5.025 1.00 0.00 H new ATOM 721 N SER A 47 -20.191 1.559 -1.058 1.00 0.00 N ATOM 722 CA SER A 47 -19.869 2.363 0.109 1.00 0.00 C ATOM 723 C SER A 47 -18.507 3.034 -0.077 1.00 0.00 C ATOM 724 O SER A 47 -17.620 2.477 -0.722 1.00 0.00 O ATOM 725 CB SER A 47 -19.874 1.514 1.381 1.00 0.00 C ATOM 726 OG SER A 47 -19.210 0.267 1.193 1.00 0.00 O ATOM 0 H SER A 47 -19.382 1.218 -1.577 1.00 0.00 H new ATOM 0 HA SER A 47 -20.634 3.132 0.216 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.389 2.065 2.187 1.00 0.00 H new ATOM 0 HB3 SER A 47 -20.903 1.334 1.692 1.00 0.00 H new ATOM 0 HG SER A 47 -18.302 0.322 1.557 1.00 0.00 H new ATOM 732 N CYS A 48 -18.384 4.221 0.498 1.00 0.00 N ATOM 733 CA CYS A 48 -17.144 4.973 0.404 1.00 0.00 C ATOM 734 C CYS A 48 -16.671 5.299 1.822 1.00 0.00 C ATOM 735 O CYS A 48 -17.452 5.768 2.649 1.00 0.00 O ATOM 736 CB CYS A 48 -17.312 6.235 -0.446 1.00 0.00 C ATOM 737 SG CYS A 48 -18.939 7.002 -0.113 1.00 0.00 S ATOM 0 H CYS A 48 -19.122 4.681 1.031 1.00 0.00 H new ATOM 0 HA CYS A 48 -16.388 4.372 -0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.514 6.943 -0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -17.228 5.985 -1.504 1.00 0.00 H new ATOM 0 HG CYS A 48 -19.070 8.073 -0.838 1.00 0.00 H new ATOM 743 N VAL A 49 -15.394 5.038 2.060 1.00 0.00 N ATOM 744 CA VAL A 49 -14.808 5.298 3.364 1.00 0.00 C ATOM 745 C VAL A 49 -13.377 5.810 3.182 1.00 0.00 C ATOM 746 O VAL A 49 -12.871 5.864 2.062 1.00 0.00 O ATOM 747 CB VAL A 49 -14.887 4.041 4.233 1.00 0.00 C ATOM 748 CG1 VAL A 49 -16.338 3.590 4.414 1.00 0.00 C ATOM 749 CG2 VAL A 49 -14.031 2.915 3.649 1.00 0.00 C ATOM 0 H VAL A 49 -14.749 4.649 1.372 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.367 6.074 3.887 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.488 4.288 5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.366 2.695 5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -16.908 4.384 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.775 3.369 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.105 2.034 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -14.386 2.670 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.991 3.238 3.596 1.00 0.00 H new ATOM 759 N ARG A 50 -12.766 6.172 4.300 1.00 0.00 N ATOM 760 CA ARG A 50 -11.404 6.678 4.278 1.00 0.00 C ATOM 761 C ARG A 50 -10.515 5.848 5.206 1.00 0.00 C ATOM 762 O ARG A 50 -10.793 5.731 6.398 1.00 0.00 O ATOM 763 CB ARG A 50 -11.354 8.144 4.713 1.00 0.00 C ATOM 764 CG ARG A 50 -10.907 9.043 3.558 1.00 0.00 C ATOM 765 CD ARG A 50 -10.790 10.500 4.011 1.00 0.00 C ATOM 766 NE ARG A 50 -10.068 10.573 5.300 1.00 0.00 N ATOM 767 CZ ARG A 50 -10.170 11.594 6.162 1.00 0.00 C ATOM 768 NH1 ARG A 50 -10.964 12.635 5.876 1.00 0.00 N ATOM 769 NH2 ARG A 50 -9.477 11.575 7.309 1.00 0.00 N ATOM 0 H ARG A 50 -13.189 6.125 5.227 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.038 6.602 3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.338 8.457 5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.667 8.255 5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.946 8.699 3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.621 8.970 2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.263 11.083 3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.783 10.938 4.116 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.454 9.797 5.548 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.490 12.650 5.002 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.042 13.412 6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.872 10.783 7.526 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.555 12.352 7.965 1.00 0.00 H new ATOM 783 N ARG A 51 -9.462 5.292 4.623 1.00 0.00 N ATOM 784 CA ARG A 51 -8.530 4.476 5.383 1.00 0.00 C ATOM 785 C ARG A 51 -7.110 4.647 4.839 1.00 0.00 C ATOM 786 O ARG A 51 -6.914 4.763 3.630 1.00 0.00 O ATOM 787 CB ARG A 51 -8.918 2.997 5.323 1.00 0.00 C ATOM 788 CG ARG A 51 -10.275 2.759 5.988 1.00 0.00 C ATOM 789 CD ARG A 51 -10.143 2.738 7.512 1.00 0.00 C ATOM 790 NE ARG A 51 -9.366 1.553 7.937 1.00 0.00 N ATOM 791 CZ ARG A 51 -9.027 1.292 9.207 1.00 0.00 C ATOM 792 NH1 ARG A 51 -9.396 2.131 10.184 1.00 0.00 N ATOM 793 NH2 ARG A 51 -8.321 0.192 9.499 1.00 0.00 N ATOM 0 H ARG A 51 -9.234 5.391 3.634 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.567 4.808 6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.956 2.669 4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.155 2.397 5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.972 3.542 5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.692 1.813 5.643 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.651 3.648 7.855 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.132 2.718 7.971 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.070 0.893 7.218 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.935 2.968 9.961 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.138 1.933 11.151 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.041 -0.447 8.755 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.063 -0.007 10.466 1.00 0.00 H new ATOM 807 N ARG A 52 -6.156 4.656 5.758 1.00 0.00 N ATOM 808 CA ARG A 52 -4.760 4.811 5.386 1.00 0.00 C ATOM 809 C ARG A 52 -4.212 3.497 4.826 1.00 0.00 C ATOM 810 O ARG A 52 -4.930 2.501 4.753 1.00 0.00 O ATOM 811 CB ARG A 52 -3.914 5.238 6.587 1.00 0.00 C ATOM 812 CG ARG A 52 -3.221 6.576 6.322 1.00 0.00 C ATOM 813 CD ARG A 52 -1.845 6.622 6.989 1.00 0.00 C ATOM 814 NE ARG A 52 -0.782 6.529 5.964 1.00 0.00 N ATOM 815 CZ ARG A 52 0.475 6.141 6.218 1.00 0.00 C ATOM 816 NH1 ARG A 52 0.834 5.806 7.465 1.00 0.00 N ATOM 817 NH2 ARG A 52 1.374 6.086 5.225 1.00 0.00 N ATOM 0 H ARG A 52 -6.322 4.558 6.760 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.704 5.587 4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.547 5.321 7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.167 4.473 6.800 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.114 6.728 5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.839 7.391 6.699 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.737 7.548 7.554 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.749 5.801 7.700 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.021 6.776 5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.150 5.846 8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.791 5.511 7.658 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.101 6.340 4.275 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.331 5.791 5.419 1.00 0.00 H new ATOM 831 N TYR A 53 -2.943 3.537 4.445 1.00 0.00 N ATOM 832 CA TYR A 53 -2.290 2.362 3.894 1.00 0.00 C ATOM 833 C TYR A 53 -2.052 1.308 4.977 1.00 0.00 C ATOM 834 O TYR A 53 -2.041 0.111 4.692 1.00 0.00 O ATOM 835 CB TYR A 53 -0.939 2.842 3.360 1.00 0.00 C ATOM 836 CG TYR A 53 0.126 1.745 3.287 1.00 0.00 C ATOM 837 CD1 TYR A 53 0.062 0.787 2.296 1.00 0.00 C ATOM 838 CD2 TYR A 53 1.150 1.715 4.211 1.00 0.00 C ATOM 839 CE1 TYR A 53 1.064 -0.245 2.227 1.00 0.00 C ATOM 840 CE2 TYR A 53 2.152 0.683 4.142 1.00 0.00 C ATOM 841 CZ TYR A 53 2.060 -0.246 3.153 1.00 0.00 C ATOM 842 OH TYR A 53 3.006 -1.220 3.088 1.00 0.00 O ATOM 0 H TYR A 53 -2.350 4.365 4.507 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.908 1.907 3.120 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.082 3.262 2.365 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.573 3.648 3.997 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.739 0.811 1.572 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.200 2.465 4.986 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.025 -1.001 1.457 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.958 0.648 4.860 1.00 0.00 H new ATOM 0 HH TYR A 53 3.655 -1.095 3.812 1.00 0.00 H new ATOM 852 N SER A 54 -1.868 1.790 6.197 1.00 0.00 N ATOM 853 CA SER A 54 -1.631 0.904 7.324 1.00 0.00 C ATOM 854 C SER A 54 -2.872 0.049 7.587 1.00 0.00 C ATOM 855 O SER A 54 -2.758 -1.111 7.982 1.00 0.00 O ATOM 856 CB SER A 54 -1.257 1.697 8.578 1.00 0.00 C ATOM 857 OG SER A 54 -0.092 1.176 9.211 1.00 0.00 O ATOM 0 H SER A 54 -1.878 2.783 6.430 1.00 0.00 H new ATOM 0 HA SER A 54 -0.794 0.251 7.076 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.088 2.740 8.310 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.090 1.679 9.280 1.00 0.00 H new ATOM 0 HG SER A 54 0.115 1.710 10.006 1.00 0.00 H new ATOM 863 N ASP A 55 -4.028 0.653 7.357 1.00 0.00 N ATOM 864 CA ASP A 55 -5.289 -0.039 7.564 1.00 0.00 C ATOM 865 C ASP A 55 -5.210 -1.432 6.935 1.00 0.00 C ATOM 866 O ASP A 55 -5.435 -2.435 7.610 1.00 0.00 O ATOM 867 CB ASP A 55 -6.445 0.713 6.903 1.00 0.00 C ATOM 868 CG ASP A 55 -7.206 -0.077 5.837 1.00 0.00 C ATOM 869 OD1 ASP A 55 -7.835 -1.087 6.220 1.00 0.00 O ATOM 870 OD2 ASP A 55 -7.141 0.346 4.662 1.00 0.00 O ATOM 0 H ASP A 55 -4.118 1.615 7.029 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.467 -0.102 8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.148 1.020 7.677 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.054 1.623 6.449 1.00 0.00 H new ATOM 875 N PHE A 56 -4.890 -1.448 5.650 1.00 0.00 N ATOM 876 CA PHE A 56 -4.779 -2.701 4.922 1.00 0.00 C ATOM 877 C PHE A 56 -3.931 -3.712 5.697 1.00 0.00 C ATOM 878 O PHE A 56 -4.380 -4.823 5.973 1.00 0.00 O ATOM 879 CB PHE A 56 -4.090 -2.387 3.593 1.00 0.00 C ATOM 880 CG PHE A 56 -4.994 -1.692 2.572 1.00 0.00 C ATOM 881 CD1 PHE A 56 -5.889 -2.419 1.851 1.00 0.00 C ATOM 882 CD2 PHE A 56 -4.901 -0.348 2.386 1.00 0.00 C ATOM 883 CE1 PHE A 56 -6.728 -1.774 0.904 1.00 0.00 C ATOM 884 CE2 PHE A 56 -5.740 0.296 1.439 1.00 0.00 C ATOM 885 CZ PHE A 56 -6.636 -0.430 0.718 1.00 0.00 C ATOM 0 H PHE A 56 -4.704 -0.614 5.094 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.768 -3.134 4.774 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.223 -1.755 3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.717 -3.316 3.160 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.962 -3.486 1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.190 0.229 2.958 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.439 -2.351 0.331 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.667 1.363 1.291 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.274 0.061 -0.002 1.00 0.00 H new ATOM 895 N GLU A 57 -2.718 -3.290 6.025 1.00 0.00 N ATOM 896 CA GLU A 57 -1.803 -4.144 6.762 1.00 0.00 C ATOM 897 C GLU A 57 -2.557 -4.926 7.839 1.00 0.00 C ATOM 898 O GLU A 57 -2.386 -6.137 7.967 1.00 0.00 O ATOM 899 CB GLU A 57 -0.664 -3.327 7.375 1.00 0.00 C ATOM 900 CG GLU A 57 0.657 -3.598 6.651 1.00 0.00 C ATOM 901 CD GLU A 57 1.839 -3.523 7.620 1.00 0.00 C ATOM 902 OE1 GLU A 57 2.242 -2.383 7.935 1.00 0.00 O ATOM 903 OE2 GLU A 57 2.312 -4.607 8.023 1.00 0.00 O ATOM 0 H GLU A 57 -2.348 -2.368 5.794 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.362 -4.857 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.902 -2.265 7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.561 -3.575 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.625 -4.583 6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.792 -2.872 5.850 1.00 0.00 H new ATOM 910 N TRP A 58 -3.377 -4.201 8.587 1.00 0.00 N ATOM 911 CA TRP A 58 -4.159 -4.812 9.649 1.00 0.00 C ATOM 912 C TRP A 58 -5.031 -5.903 9.026 1.00 0.00 C ATOM 913 O TRP A 58 -4.859 -7.085 9.322 1.00 0.00 O ATOM 914 CB TRP A 58 -4.969 -3.759 10.408 1.00 0.00 C ATOM 915 CG TRP A 58 -5.951 -4.344 11.425 1.00 0.00 C ATOM 916 CD1 TRP A 58 -5.735 -4.611 12.720 1.00 0.00 C ATOM 917 CD2 TRP A 58 -7.320 -4.726 11.177 1.00 0.00 C ATOM 918 NE1 TRP A 58 -6.861 -5.135 13.323 1.00 0.00 N ATOM 919 CE2 TRP A 58 -7.856 -5.207 12.354 1.00 0.00 C ATOM 920 CE3 TRP A 58 -8.082 -4.667 9.996 1.00 0.00 C ATOM 921 CZ2 TRP A 58 -9.174 -5.666 12.466 1.00 0.00 C ATOM 922 CZ3 TRP A 58 -9.397 -5.129 10.125 1.00 0.00 C ATOM 923 CH2 TRP A 58 -9.951 -5.616 11.303 1.00 0.00 C ATOM 0 H TRP A 58 -3.517 -3.196 8.478 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.508 -5.270 10.393 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.281 -3.090 10.925 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.523 -3.154 9.690 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.798 -4.438 13.228 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.947 -5.417 14.299 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.684 -4.295 9.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -9.570 -6.038 13.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -10.026 -5.105 9.247 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.976 -5.954 11.321 1.00 0.00 H new ATOM 934 N LEU A 59 -5.948 -5.469 8.174 1.00 0.00 N ATOM 935 CA LEU A 59 -6.848 -6.394 7.507 1.00 0.00 C ATOM 936 C LEU A 59 -6.052 -7.602 7.007 1.00 0.00 C ATOM 937 O LEU A 59 -6.478 -8.743 7.177 1.00 0.00 O ATOM 938 CB LEU A 59 -7.635 -5.678 6.407 1.00 0.00 C ATOM 939 CG LEU A 59 -7.705 -6.395 5.057 1.00 0.00 C ATOM 940 CD1 LEU A 59 -8.663 -7.587 5.119 1.00 0.00 C ATOM 941 CD2 LEU A 59 -8.074 -5.421 3.937 1.00 0.00 C ATOM 0 H LEU A 59 -6.087 -4.488 7.930 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.594 -6.770 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.652 -5.515 6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.191 -4.695 6.251 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.715 -6.789 4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.695 -8.079 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.316 -8.294 5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.662 -7.238 5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.117 -5.956 2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.047 -4.977 4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.322 -4.635 3.876 1.00 0.00 H new ATOM 953 N LYS A 60 -4.911 -7.308 6.401 1.00 0.00 N ATOM 954 CA LYS A 60 -4.052 -8.356 5.875 1.00 0.00 C ATOM 955 C LYS A 60 -3.639 -9.290 7.014 1.00 0.00 C ATOM 956 O LYS A 60 -3.898 -10.491 6.961 1.00 0.00 O ATOM 957 CB LYS A 60 -2.869 -7.748 5.118 1.00 0.00 C ATOM 958 CG LYS A 60 -1.689 -8.721 5.075 1.00 0.00 C ATOM 959 CD LYS A 60 -0.928 -8.601 3.753 1.00 0.00 C ATOM 960 CE LYS A 60 0.259 -9.566 3.715 1.00 0.00 C ATOM 961 NZ LYS A 60 1.335 -9.100 4.618 1.00 0.00 N ATOM 0 H LYS A 60 -4.561 -6.360 6.262 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.591 -8.961 5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.174 -7.495 4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.562 -6.820 5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.015 -8.518 5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.050 -9.742 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.600 -8.813 2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.574 -7.578 3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.066 -10.563 4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.639 -9.644 2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.219 -8.998 4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.071 -8.181 5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.472 -9.793 5.381 1.00 0.00 H new ATOM 975 N ASN A 61 -3.004 -8.703 8.018 1.00 0.00 N ATOM 976 CA ASN A 61 -2.553 -9.468 9.168 1.00 0.00 C ATOM 977 C ASN A 61 -3.725 -10.272 9.732 1.00 0.00 C ATOM 978 O ASN A 61 -3.551 -11.409 10.166 1.00 0.00 O ATOM 979 CB ASN A 61 -2.035 -8.546 10.274 1.00 0.00 C ATOM 980 CG ASN A 61 -1.192 -9.324 11.286 1.00 0.00 C ATOM 981 OD1 ASN A 61 -1.348 -10.519 11.475 1.00 0.00 O ATOM 982 ND2 ASN A 61 -0.292 -8.581 11.925 1.00 0.00 N ATOM 0 H ASN A 61 -2.791 -7.706 8.059 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.748 -10.126 8.841 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.438 -7.747 9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.876 -8.074 10.782 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.320 -9.007 12.621 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.214 -7.585 11.719 1.00 0.00 H new ATOM 989 N GLU A 62 -4.894 -9.648 9.709 1.00 0.00 N ATOM 990 CA GLU A 62 -6.096 -10.291 10.213 1.00 0.00 C ATOM 991 C GLU A 62 -6.387 -11.568 9.421 1.00 0.00 C ATOM 992 O GLU A 62 -7.160 -12.415 9.865 1.00 0.00 O ATOM 993 CB GLU A 62 -7.289 -9.335 10.169 1.00 0.00 C ATOM 994 CG GLU A 62 -7.128 -8.209 11.192 1.00 0.00 C ATOM 995 CD GLU A 62 -6.777 -8.769 12.572 1.00 0.00 C ATOM 996 OE1 GLU A 62 -7.724 -9.185 13.273 1.00 0.00 O ATOM 997 OE2 GLU A 62 -5.569 -8.767 12.895 1.00 0.00 O ATOM 0 H GLU A 62 -5.034 -8.704 9.349 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.929 -10.563 11.255 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.384 -8.912 9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.208 -9.885 10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.346 -7.524 10.864 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.052 -7.633 11.253 1.00 0.00 H new ATOM 1004 N LEU A 63 -5.751 -11.666 8.263 1.00 0.00 N ATOM 1005 CA LEU A 63 -5.932 -12.824 7.405 1.00 0.00 C ATOM 1006 C LEU A 63 -4.772 -13.799 7.621 1.00 0.00 C ATOM 1007 O LEU A 63 -4.912 -14.998 7.382 1.00 0.00 O ATOM 1008 CB LEU A 63 -6.107 -12.391 5.948 1.00 0.00 C ATOM 1009 CG LEU A 63 -7.253 -11.416 5.672 1.00 0.00 C ATOM 1010 CD1 LEU A 63 -6.910 -10.481 4.510 1.00 0.00 C ATOM 1011 CD2 LEU A 63 -8.566 -12.165 5.436 1.00 0.00 C ATOM 0 H LEU A 63 -5.109 -10.962 7.899 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.848 -13.353 7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.177 -11.932 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.261 -13.283 5.340 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.392 -10.794 6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.741 -9.798 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.016 -9.908 4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.728 -11.070 3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.364 -11.448 5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.457 -12.828 4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.813 -12.753 6.320 1.00 0.00 H new ATOM 1023 N GLU A 64 -3.654 -13.249 8.071 1.00 0.00 N ATOM 1024 CA GLU A 64 -2.472 -14.055 8.322 1.00 0.00 C ATOM 1025 C GLU A 64 -2.467 -14.554 9.768 1.00 0.00 C ATOM 1026 O GLU A 64 -1.864 -15.583 10.071 1.00 0.00 O ATOM 1027 CB GLU A 64 -1.196 -13.269 8.009 1.00 0.00 C ATOM 1028 CG GLU A 64 -1.250 -12.675 6.600 1.00 0.00 C ATOM 1029 CD GLU A 64 0.138 -12.664 5.957 1.00 0.00 C ATOM 1030 OE1 GLU A 64 0.941 -11.792 6.353 1.00 0.00 O ATOM 1031 OE2 GLU A 64 0.365 -13.529 5.083 1.00 0.00 O ATOM 0 H GLU A 64 -3.542 -12.255 8.268 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.499 -14.920 7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.068 -12.470 8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.330 -13.924 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.936 -13.255 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.642 -11.659 6.644 1.00 0.00 H new ATOM 1107 N ILE A 69 -5.908 -18.589 3.810 1.00 0.00 N ATOM 1108 CA ILE A 69 -6.198 -17.772 2.644 1.00 0.00 C ATOM 1109 C ILE A 69 -4.890 -17.217 2.077 1.00 0.00 C ATOM 1110 O ILE A 69 -3.915 -17.048 2.808 1.00 0.00 O ATOM 1111 CB ILE A 69 -7.226 -16.692 2.989 1.00 0.00 C ATOM 1112 CG1 ILE A 69 -8.559 -17.317 3.406 1.00 0.00 C ATOM 1113 CG2 ILE A 69 -7.393 -15.705 1.832 1.00 0.00 C ATOM 1114 CD1 ILE A 69 -9.688 -16.286 3.356 1.00 0.00 C ATOM 0 HA ILE A 69 -6.655 -18.376 1.860 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.854 -16.127 3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.795 -18.152 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.475 -17.721 4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -8.129 -14.948 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.437 -15.224 1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.732 -16.239 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.624 -16.757 3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.460 -15.464 4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.785 -15.902 2.341 1.00 0.00 H new ATOM 1126 N VAL A 70 -4.911 -16.949 0.780 1.00 0.00 N ATOM 1127 CA VAL A 70 -3.739 -16.416 0.107 1.00 0.00 C ATOM 1128 C VAL A 70 -3.851 -14.892 0.025 1.00 0.00 C ATOM 1129 O VAL A 70 -4.554 -14.363 -0.835 1.00 0.00 O ATOM 1130 CB VAL A 70 -3.576 -17.078 -1.263 1.00 0.00 C ATOM 1131 CG1 VAL A 70 -2.427 -16.440 -2.047 1.00 0.00 C ATOM 1132 CG2 VAL A 70 -3.372 -18.587 -1.122 1.00 0.00 C ATOM 0 H VAL A 70 -5.721 -17.091 0.177 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.837 -16.645 0.674 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.496 -16.916 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.333 -16.929 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.631 -15.379 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.497 -16.557 -1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.259 -19.033 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.476 -18.779 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.236 -19.026 -0.623 1.00 0.00 H new ATOM 1142 N VAL A 71 -3.147 -14.230 0.931 1.00 0.00 N ATOM 1143 CA VAL A 71 -3.159 -12.777 0.972 1.00 0.00 C ATOM 1144 C VAL A 71 -2.086 -12.236 0.026 1.00 0.00 C ATOM 1145 O VAL A 71 -0.968 -12.747 -0.009 1.00 0.00 O ATOM 1146 CB VAL A 71 -2.985 -12.293 2.413 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -3.125 -10.772 2.502 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -3.973 -12.991 3.350 1.00 0.00 C ATOM 0 H VAL A 71 -2.565 -14.672 1.642 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.119 -12.393 0.628 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.977 -12.555 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.997 -10.455 3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.364 -10.300 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.114 -10.477 2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.828 -12.628 4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.992 -12.775 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.804 -14.067 3.321 1.00 0.00 H new ATOM 1158 N PRO A 72 -2.474 -11.181 -0.740 1.00 0.00 N ATOM 1159 CA PRO A 72 -1.558 -10.564 -1.684 1.00 0.00 C ATOM 1160 C PRO A 72 -0.522 -9.702 -0.960 1.00 0.00 C ATOM 1161 O PRO A 72 -0.750 -9.267 0.167 1.00 0.00 O ATOM 1162 CB PRO A 72 -2.444 -9.763 -2.625 1.00 0.00 C ATOM 1163 CG PRO A 72 -3.768 -9.584 -1.900 1.00 0.00 C ATOM 1164 CD PRO A 72 -3.790 -10.549 -0.726 1.00 0.00 C ATOM 0 HA PRO A 72 -0.969 -11.295 -2.238 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.993 -8.798 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.584 -10.287 -3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.877 -8.557 -1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.602 -9.783 -2.573 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.968 -10.026 0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.585 -11.287 -0.835 1.00 0.00 H new ATOM 1172 N PRO A 73 0.624 -9.476 -1.656 1.00 0.00 N ATOM 1173 CA PRO A 73 1.696 -8.674 -1.092 1.00 0.00 C ATOM 1174 C PRO A 73 1.343 -7.186 -1.123 1.00 0.00 C ATOM 1175 O PRO A 73 0.677 -6.721 -2.047 1.00 0.00 O ATOM 1176 CB PRO A 73 2.921 -9.011 -1.927 1.00 0.00 C ATOM 1177 CG PRO A 73 2.393 -9.629 -3.211 1.00 0.00 C ATOM 1178 CD PRO A 73 0.929 -9.975 -2.994 1.00 0.00 C ATOM 0 HA PRO A 73 1.875 -8.893 -0.039 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.509 -8.117 -2.137 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.574 -9.706 -1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.501 -8.933 -4.043 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.963 -10.522 -3.467 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.295 -9.505 -3.746 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.762 -11.050 -3.063 1.00 0.00 H new ATOM 1186 N LEU A 74 1.804 -6.479 -0.102 1.00 0.00 N ATOM 1187 CA LEU A 74 1.545 -5.053 0.000 1.00 0.00 C ATOM 1188 C LEU A 74 2.620 -4.287 -0.774 1.00 0.00 C ATOM 1189 O LEU A 74 3.767 -4.724 -0.846 1.00 0.00 O ATOM 1190 CB LEU A 74 1.426 -4.633 1.466 1.00 0.00 C ATOM 1191 CG LEU A 74 0.066 -4.874 2.125 1.00 0.00 C ATOM 1192 CD1 LEU A 74 0.166 -4.755 3.647 1.00 0.00 C ATOM 1193 CD2 LEU A 74 -0.997 -3.939 1.545 1.00 0.00 C ATOM 0 H LEU A 74 2.356 -6.868 0.663 1.00 0.00 H new ATOM 0 HA LEU A 74 0.586 -4.807 -0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.185 -5.166 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.660 -3.571 1.539 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.246 -5.894 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.814 -4.931 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.873 -5.494 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.510 -3.755 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.954 -4.131 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.704 -2.903 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.092 -4.116 0.474 1.00 0.00 H new ATOM 1205 N PRO A 75 2.199 -3.128 -1.348 1.00 0.00 N ATOM 1206 CA PRO A 75 3.112 -2.298 -2.114 1.00 0.00 C ATOM 1207 C PRO A 75 4.065 -1.535 -1.191 1.00 0.00 C ATOM 1208 O PRO A 75 3.961 -0.317 -1.056 1.00 0.00 O ATOM 1209 CB PRO A 75 2.218 -1.381 -2.934 1.00 0.00 C ATOM 1210 CG PRO A 75 0.858 -1.412 -2.256 1.00 0.00 C ATOM 1211 CD PRO A 75 0.847 -2.580 -1.284 1.00 0.00 C ATOM 0 HA PRO A 75 3.765 -2.881 -2.764 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.618 -0.367 -2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.148 -1.724 -3.966 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.673 -0.476 -1.729 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.065 -1.524 -2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.600 -2.253 -0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.104 -3.325 -1.568 1.00 0.00 H new ATOM 1219 N GLY A 76 4.971 -2.283 -0.580 1.00 0.00 N ATOM 1220 CA GLY A 76 5.941 -1.693 0.327 1.00 0.00 C ATOM 1221 C GLY A 76 7.091 -2.662 0.606 1.00 0.00 C ATOM 1222 O GLY A 76 6.908 -3.669 1.288 1.00 0.00 O ATOM 0 H GLY A 76 5.054 -3.293 -0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.333 -0.772 -0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.452 -1.424 1.263 1.00 0.00 H new ATOM 1512 N GLU A 94 3.821 12.870 -6.285 1.00 0.00 N ATOM 1513 CA GLU A 94 2.575 12.301 -6.771 1.00 0.00 C ATOM 1514 C GLU A 94 2.776 10.834 -7.156 1.00 0.00 C ATOM 1515 O GLU A 94 1.989 9.973 -6.765 1.00 0.00 O ATOM 1516 CB GLU A 94 2.028 13.107 -7.951 1.00 0.00 C ATOM 1517 CG GLU A 94 3.057 13.194 -9.080 1.00 0.00 C ATOM 1518 CD GLU A 94 2.770 14.389 -9.992 1.00 0.00 C ATOM 1519 OE1 GLU A 94 2.922 15.528 -9.500 1.00 0.00 O ATOM 1520 OE2 GLU A 94 2.406 14.136 -11.161 1.00 0.00 O ATOM 0 HA GLU A 94 1.839 12.348 -5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.115 12.642 -8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.762 14.110 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.058 13.286 -8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.040 12.274 -9.664 1.00 0.00 H new ATOM 1527 N SER A 95 3.834 10.594 -7.917 1.00 0.00 N ATOM 1528 CA SER A 95 4.148 9.246 -8.358 1.00 0.00 C ATOM 1529 C SER A 95 4.076 8.278 -7.176 1.00 0.00 C ATOM 1530 O SER A 95 3.278 7.342 -7.183 1.00 0.00 O ATOM 1531 CB SER A 95 5.532 9.188 -9.008 1.00 0.00 C ATOM 1532 OG SER A 95 5.478 8.658 -10.330 1.00 0.00 O ATOM 0 H SER A 95 4.484 11.311 -8.239 1.00 0.00 H new ATOM 0 HA SER A 95 3.412 8.951 -9.106 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.962 10.189 -9.036 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.194 8.574 -8.398 1.00 0.00 H new ATOM 0 HG SER A 95 6.380 8.639 -10.712 1.00 0.00 H new ATOM 1538 N PHE A 96 4.920 8.537 -6.188 1.00 0.00 N ATOM 1539 CA PHE A 96 4.963 7.700 -5.001 1.00 0.00 C ATOM 1540 C PHE A 96 3.553 7.419 -4.478 1.00 0.00 C ATOM 1541 O PHE A 96 3.124 6.267 -4.427 1.00 0.00 O ATOM 1542 CB PHE A 96 5.744 8.473 -3.936 1.00 0.00 C ATOM 1543 CG PHE A 96 6.647 7.596 -3.067 1.00 0.00 C ATOM 1544 CD1 PHE A 96 6.120 6.543 -2.386 1.00 0.00 C ATOM 1545 CD2 PHE A 96 7.976 7.868 -2.976 1.00 0.00 C ATOM 1546 CE1 PHE A 96 6.959 5.728 -1.579 1.00 0.00 C ATOM 1547 CE2 PHE A 96 8.814 7.054 -2.169 1.00 0.00 C ATOM 1548 CZ PHE A 96 8.288 6.001 -1.488 1.00 0.00 C ATOM 0 H PHE A 96 5.580 9.315 -6.185 1.00 0.00 H new ATOM 0 HA PHE A 96 5.432 6.745 -5.236 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.354 9.231 -4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.038 8.999 -3.293 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.064 6.326 -2.459 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.394 8.703 -3.518 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.541 4.892 -1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.869 7.271 -2.096 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.926 5.382 -0.875 1.00 0.00 H new ATOM 1558 N ILE A 97 2.870 8.491 -4.102 1.00 0.00 N ATOM 1559 CA ILE A 97 1.518 8.373 -3.585 1.00 0.00 C ATOM 1560 C ILE A 97 0.691 7.494 -4.526 1.00 0.00 C ATOM 1561 O ILE A 97 -0.023 6.599 -4.077 1.00 0.00 O ATOM 1562 CB ILE A 97 0.913 9.759 -3.348 1.00 0.00 C ATOM 1563 CG1 ILE A 97 1.347 10.322 -1.993 1.00 0.00 C ATOM 1564 CG2 ILE A 97 -0.610 9.724 -3.493 1.00 0.00 C ATOM 1565 CD1 ILE A 97 1.200 11.844 -1.960 1.00 0.00 C ATOM 0 H ILE A 97 3.228 9.445 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 97 1.524 7.881 -2.612 1.00 0.00 H new ATOM 0 HB ILE A 97 1.294 10.434 -4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.745 9.878 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.384 10.049 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.015 10.721 -3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.872 9.395 -4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.029 9.030 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.515 12.219 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.822 12.287 -2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.158 12.113 -2.132 1.00 0.00 H new ATOM 1577 N GLU A 98 0.816 7.780 -5.813 1.00 0.00 N ATOM 1578 CA GLU A 98 0.089 7.026 -6.821 1.00 0.00 C ATOM 1579 C GLU A 98 0.439 5.540 -6.727 1.00 0.00 C ATOM 1580 O GLU A 98 -0.450 4.690 -6.694 1.00 0.00 O ATOM 1581 CB GLU A 98 0.374 7.569 -8.223 1.00 0.00 C ATOM 1582 CG GLU A 98 -0.881 7.520 -9.096 1.00 0.00 C ATOM 1583 CD GLU A 98 -0.586 8.022 -10.510 1.00 0.00 C ATOM 1584 OE1 GLU A 98 0.508 7.687 -11.015 1.00 0.00 O ATOM 1585 OE2 GLU A 98 -1.460 8.730 -11.055 1.00 0.00 O ATOM 0 H GLU A 98 1.410 8.523 -6.182 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.979 7.140 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.733 8.596 -8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.168 6.985 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.258 6.498 -9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.665 8.129 -8.646 1.00 0.00 H new ATOM 1592 N GLU A 99 1.736 5.271 -6.686 1.00 0.00 N ATOM 1593 CA GLU A 99 2.214 3.902 -6.597 1.00 0.00 C ATOM 1594 C GLU A 99 1.417 3.129 -5.543 1.00 0.00 C ATOM 1595 O GLU A 99 0.814 2.101 -5.847 1.00 0.00 O ATOM 1596 CB GLU A 99 3.712 3.863 -6.288 1.00 0.00 C ATOM 1597 CG GLU A 99 4.463 3.022 -7.322 1.00 0.00 C ATOM 1598 CD GLU A 99 5.349 1.978 -6.640 1.00 0.00 C ATOM 1599 OE1 GLU A 99 5.857 2.294 -5.543 1.00 0.00 O ATOM 1600 OE2 GLU A 99 5.498 0.887 -7.232 1.00 0.00 O ATOM 0 H GLU A 99 2.470 5.978 -6.713 1.00 0.00 H new ATOM 0 HA GLU A 99 2.063 3.422 -7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.112 4.877 -6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.871 3.449 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.750 2.525 -7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.075 3.671 -7.948 1.00 0.00 H new ATOM 1607 N ARG A 100 1.440 3.655 -4.327 1.00 0.00 N ATOM 1608 CA ARG A 100 0.727 3.027 -3.228 1.00 0.00 C ATOM 1609 C ARG A 100 -0.777 3.014 -3.509 1.00 0.00 C ATOM 1610 O ARG A 100 -1.474 2.072 -3.134 1.00 0.00 O ATOM 1611 CB ARG A 100 0.986 3.764 -1.912 1.00 0.00 C ATOM 1612 CG ARG A 100 1.135 2.777 -0.752 1.00 0.00 C ATOM 1613 CD ARG A 100 1.581 3.495 0.524 1.00 0.00 C ATOM 1614 NE ARG A 100 2.599 2.685 1.230 1.00 0.00 N ATOM 1615 CZ ARG A 100 3.292 3.111 2.295 1.00 0.00 C ATOM 1616 NH1 ARG A 100 3.081 4.341 2.783 1.00 0.00 N ATOM 1617 NH2 ARG A 100 4.196 2.307 2.872 1.00 0.00 N ATOM 0 H ARG A 100 1.941 4.508 -4.079 1.00 0.00 H new ATOM 0 HA ARG A 100 1.092 2.004 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.890 4.367 -2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 100 0.164 4.450 -1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.186 2.271 -0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.862 2.009 -1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.991 4.474 0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.723 3.664 1.175 1.00 0.00 H new ATOM 0 HE ARG A 100 2.785 1.744 0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.393 4.953 2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.608 4.665 3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.357 1.371 2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.723 2.631 3.683 1.00 0.00 H new ATOM 1631 N ARG A 101 -1.233 4.069 -4.167 1.00 0.00 N ATOM 1632 CA ARG A 101 -2.642 4.191 -4.503 1.00 0.00 C ATOM 1633 C ARG A 101 -3.092 2.994 -5.343 1.00 0.00 C ATOM 1634 O ARG A 101 -4.031 2.290 -4.974 1.00 0.00 O ATOM 1635 CB ARG A 101 -2.914 5.481 -5.278 1.00 0.00 C ATOM 1636 CG ARG A 101 -4.389 5.876 -5.186 1.00 0.00 C ATOM 1637 CD ARG A 101 -4.607 7.304 -5.690 1.00 0.00 C ATOM 1638 NE ARG A 101 -5.099 7.279 -7.085 1.00 0.00 N ATOM 1639 CZ ARG A 101 -5.190 8.362 -7.869 1.00 0.00 C ATOM 1640 NH1 ARG A 101 -4.824 9.562 -7.400 1.00 0.00 N ATOM 1641 NH2 ARG A 101 -5.648 8.244 -9.123 1.00 0.00 N ATOM 0 H ARG A 101 -0.652 4.848 -4.477 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.205 4.217 -3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.293 6.285 -4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.634 5.347 -6.323 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.992 5.183 -5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -4.727 5.796 -4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.326 7.818 -5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.674 7.864 -5.635 1.00 0.00 H new ATOM 0 HE ARG A 101 -5.387 6.381 -7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -4.476 9.652 -6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.894 10.386 -7.997 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.927 7.330 -9.480 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -5.718 9.068 -9.720 1.00 0.00 H new ATOM 1655 N GLN A 102 -2.402 2.801 -6.457 1.00 0.00 N ATOM 1656 CA GLN A 102 -2.719 1.702 -7.353 1.00 0.00 C ATOM 1657 C GLN A 102 -2.420 0.363 -6.676 1.00 0.00 C ATOM 1658 O GLN A 102 -3.268 -0.528 -6.653 1.00 0.00 O ATOM 1659 CB GLN A 102 -1.956 1.832 -8.673 1.00 0.00 C ATOM 1660 CG GLN A 102 -2.689 2.762 -9.641 1.00 0.00 C ATOM 1661 CD GLN A 102 -2.044 2.730 -11.028 1.00 0.00 C ATOM 1662 OE1 GLN A 102 -2.233 1.811 -11.808 1.00 0.00 O ATOM 1663 NE2 GLN A 102 -1.272 3.781 -11.290 1.00 0.00 N ATOM 0 H GLN A 102 -1.624 3.387 -6.760 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.784 1.742 -7.582 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.954 2.217 -8.482 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -1.838 0.848 -9.127 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.735 2.464 -9.716 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.675 3.781 -9.253 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.157 4.516 -10.592 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.795 3.852 -12.189 1.00 0.00 H new ATOM 1672 N GLY A 103 -1.211 0.263 -6.143 1.00 0.00 N ATOM 1673 CA GLY A 103 -0.790 -0.953 -5.467 1.00 0.00 C ATOM 1674 C GLY A 103 -1.907 -1.502 -4.579 1.00 0.00 C ATOM 1675 O GLY A 103 -2.425 -2.590 -4.827 1.00 0.00 O ATOM 0 H GLY A 103 -0.510 1.003 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.505 -1.703 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 103 0.093 -0.750 -4.862 1.00 0.00 H new ATOM 1679 N LEU A 104 -2.247 -0.725 -3.561 1.00 0.00 N ATOM 1680 CA LEU A 104 -3.294 -1.120 -2.634 1.00 0.00 C ATOM 1681 C LEU A 104 -4.523 -1.576 -3.423 1.00 0.00 C ATOM 1682 O LEU A 104 -4.998 -2.696 -3.246 1.00 0.00 O ATOM 1683 CB LEU A 104 -3.583 0.007 -1.641 1.00 0.00 C ATOM 1684 CG LEU A 104 -2.531 0.229 -0.552 1.00 0.00 C ATOM 1685 CD1 LEU A 104 -2.736 1.578 0.140 1.00 0.00 C ATOM 1686 CD2 LEU A 104 -2.521 -0.931 0.445 1.00 0.00 C ATOM 0 H LEU A 104 -1.816 0.177 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.970 -1.969 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.700 0.935 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.539 -0.197 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.549 0.255 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.976 1.711 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.654 2.380 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.725 1.605 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.765 -0.748 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.500 -1.014 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.291 -1.859 -0.079 1.00 0.00 H new ATOM 1698 N GLU A 105 -5.001 -0.684 -4.278 1.00 0.00 N ATOM 1699 CA GLU A 105 -6.166 -0.980 -5.095 1.00 0.00 C ATOM 1700 C GLU A 105 -6.074 -2.401 -5.655 1.00 0.00 C ATOM 1701 O GLU A 105 -7.056 -3.141 -5.643 1.00 0.00 O ATOM 1702 CB GLU A 105 -6.320 0.044 -6.221 1.00 0.00 C ATOM 1703 CG GLU A 105 -7.770 0.114 -6.704 1.00 0.00 C ATOM 1704 CD GLU A 105 -7.841 0.106 -8.232 1.00 0.00 C ATOM 1705 OE1 GLU A 105 -7.106 0.916 -8.838 1.00 0.00 O ATOM 1706 OE2 GLU A 105 -8.627 -0.709 -8.760 1.00 0.00 O ATOM 0 H GLU A 105 -4.603 0.244 -4.423 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.053 -0.915 -4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.002 1.026 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.668 -0.224 -7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.331 -0.732 -6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.242 1.018 -6.319 1.00 0.00 H new ATOM 1713 N GLN A 106 -4.885 -2.739 -6.132 1.00 0.00 N ATOM 1714 CA GLN A 106 -4.652 -4.058 -6.695 1.00 0.00 C ATOM 1715 C GLN A 106 -4.797 -5.130 -5.613 1.00 0.00 C ATOM 1716 O GLN A 106 -5.574 -6.071 -5.767 1.00 0.00 O ATOM 1717 CB GLN A 106 -3.277 -4.134 -7.362 1.00 0.00 C ATOM 1718 CG GLN A 106 -3.402 -4.063 -8.885 1.00 0.00 C ATOM 1719 CD GLN A 106 -3.108 -5.423 -9.523 1.00 0.00 C ATOM 1720 OE1 GLN A 106 -2.989 -6.438 -8.856 1.00 0.00 O ATOM 1721 NE2 GLN A 106 -3.000 -5.387 -10.848 1.00 0.00 N ATOM 0 H GLN A 106 -4.073 -2.122 -6.140 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.403 -4.242 -7.464 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.651 -3.316 -7.006 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.781 -5.062 -7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.407 -3.740 -9.156 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.710 -3.317 -9.276 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -3.111 -4.503 -11.345 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.806 -6.243 -11.367 1.00 0.00 H new ATOM 1730 N PHE A 107 -4.036 -4.952 -4.543 1.00 0.00 N ATOM 1731 CA PHE A 107 -4.070 -5.893 -3.436 1.00 0.00 C ATOM 1732 C PHE A 107 -5.510 -6.261 -3.074 1.00 0.00 C ATOM 1733 O PHE A 107 -5.872 -7.437 -3.068 1.00 0.00 O ATOM 1734 CB PHE A 107 -3.417 -5.199 -2.239 1.00 0.00 C ATOM 1735 CG PHE A 107 -3.803 -5.798 -0.885 1.00 0.00 C ATOM 1736 CD1 PHE A 107 -4.929 -5.373 -0.250 1.00 0.00 C ATOM 1737 CD2 PHE A 107 -3.022 -6.755 -0.317 1.00 0.00 C ATOM 1738 CE1 PHE A 107 -5.287 -5.929 1.006 1.00 0.00 C ATOM 1739 CE2 PHE A 107 -3.380 -7.311 0.939 1.00 0.00 C ATOM 1740 CZ PHE A 107 -4.506 -6.886 1.574 1.00 0.00 C ATOM 0 H PHE A 107 -3.392 -4.170 -4.419 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.547 -6.809 -3.710 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.334 -5.248 -2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.692 -4.144 -2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.550 -4.613 -0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.129 -7.092 -0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.180 -5.592 1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.759 -8.071 1.390 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.779 -7.309 2.529 1.00 0.00 H new ATOM 1750 N ILE A 108 -6.294 -5.234 -2.780 1.00 0.00 N ATOM 1751 CA ILE A 108 -7.686 -5.434 -2.417 1.00 0.00 C ATOM 1752 C ILE A 108 -8.438 -6.031 -3.608 1.00 0.00 C ATOM 1753 O ILE A 108 -9.183 -6.998 -3.456 1.00 0.00 O ATOM 1754 CB ILE A 108 -8.297 -4.133 -1.893 1.00 0.00 C ATOM 1755 CG1 ILE A 108 -9.528 -4.413 -1.030 1.00 0.00 C ATOM 1756 CG2 ILE A 108 -8.609 -3.173 -3.043 1.00 0.00 C ATOM 1757 CD1 ILE A 108 -9.124 -4.773 0.401 1.00 0.00 C ATOM 0 H ILE A 108 -5.991 -4.260 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.767 -6.148 -1.598 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.562 -3.643 -1.254 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.176 -3.537 -1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.104 -5.230 -1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.042 -2.256 -2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.690 -2.937 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.317 -3.642 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.018 -4.967 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.496 -5.664 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.570 -3.945 0.842 1.00 0.00 H new ATOM 1769 N ASN A 109 -8.218 -5.429 -4.768 1.00 0.00 N ATOM 1770 CA ASN A 109 -8.866 -5.888 -5.985 1.00 0.00 C ATOM 1771 C ASN A 109 -8.757 -7.412 -6.071 1.00 0.00 C ATOM 1772 O ASN A 109 -9.694 -8.081 -6.505 1.00 0.00 O ATOM 1773 CB ASN A 109 -8.193 -5.295 -7.224 1.00 0.00 C ATOM 1774 CG ASN A 109 -9.058 -4.195 -7.844 1.00 0.00 C ATOM 1775 OD1 ASN A 109 -9.700 -4.376 -8.865 1.00 0.00 O ATOM 1776 ND2 ASN A 109 -9.038 -3.048 -7.171 1.00 0.00 N ATOM 0 H ASN A 109 -7.600 -4.627 -4.891 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.908 -5.570 -5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.219 -4.888 -6.953 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -8.017 -6.081 -7.958 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.582 -2.252 -7.503 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.478 -2.964 -6.322 1.00 0.00 H new ATOM 1783 N LYS A 110 -7.606 -7.916 -5.651 1.00 0.00 N ATOM 1784 CA LYS A 110 -7.363 -9.348 -5.676 1.00 0.00 C ATOM 1785 C LYS A 110 -7.907 -9.975 -4.391 1.00 0.00 C ATOM 1786 O LYS A 110 -8.518 -11.042 -4.427 1.00 0.00 O ATOM 1787 CB LYS A 110 -5.880 -9.635 -5.921 1.00 0.00 C ATOM 1788 CG LYS A 110 -5.649 -10.147 -7.344 1.00 0.00 C ATOM 1789 CD LYS A 110 -4.889 -11.475 -7.333 1.00 0.00 C ATOM 1790 CE LYS A 110 -3.383 -11.244 -7.190 1.00 0.00 C ATOM 1791 NZ LYS A 110 -2.690 -12.518 -6.896 1.00 0.00 N ATOM 0 H LYS A 110 -6.831 -7.358 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.895 -9.811 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.298 -8.728 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.525 -10.374 -5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.607 -10.276 -7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.087 -9.407 -7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.245 -12.095 -6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.091 -12.021 -8.254 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.987 -10.811 -8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.193 -10.527 -6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.669 -12.344 -6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.057 -12.916 -6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.857 -13.191 -7.671 1.00 0.00 H new ATOM 1805 N ILE A 111 -7.665 -9.286 -3.285 1.00 0.00 N ATOM 1806 CA ILE A 111 -8.123 -9.763 -1.991 1.00 0.00 C ATOM 1807 C ILE A 111 -9.638 -9.969 -2.036 1.00 0.00 C ATOM 1808 O ILE A 111 -10.135 -11.030 -1.661 1.00 0.00 O ATOM 1809 CB ILE A 111 -7.663 -8.818 -0.879 1.00 0.00 C ATOM 1810 CG1 ILE A 111 -6.810 -9.560 0.152 1.00 0.00 C ATOM 1811 CG2 ILE A 111 -8.855 -8.109 -0.234 1.00 0.00 C ATOM 1812 CD1 ILE A 111 -7.650 -9.974 1.362 1.00 0.00 C ATOM 0 H ILE A 111 -7.158 -8.401 -3.258 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.676 -10.730 -1.761 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.033 -8.048 -1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.366 -10.444 -0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.988 -8.922 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.500 -7.443 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.385 -7.528 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.531 -8.849 0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.020 -10.500 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.073 -9.086 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.456 -10.632 1.037 1.00 0.00 H new ATOM 1824 N ALA A 112 -10.330 -8.937 -2.497 1.00 0.00 N ATOM 1825 CA ALA A 112 -11.779 -8.992 -2.595 1.00 0.00 C ATOM 1826 C ALA A 112 -12.184 -10.210 -3.428 1.00 0.00 C ATOM 1827 O ALA A 112 -12.916 -11.076 -2.952 1.00 0.00 O ATOM 1828 CB ALA A 112 -12.300 -7.681 -3.187 1.00 0.00 C ATOM 0 H ALA A 112 -9.914 -8.058 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.227 -9.105 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.387 -7.722 -3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.011 -6.851 -2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.874 -7.535 -4.180 1.00 0.00 H new ATOM 1834 N GLY A 113 -11.689 -10.237 -4.657 1.00 0.00 N ATOM 1835 CA GLY A 113 -11.991 -11.335 -5.560 1.00 0.00 C ATOM 1836 C GLY A 113 -12.042 -12.666 -4.807 1.00 0.00 C ATOM 1837 O GLY A 113 -12.903 -13.502 -5.076 1.00 0.00 O ATOM 0 H GLY A 113 -11.082 -9.517 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.947 -11.154 -6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.235 -11.385 -6.343 1.00 0.00 H new ATOM 1841 N HIS A 114 -11.109 -12.821 -3.880 1.00 0.00 N ATOM 1842 CA HIS A 114 -11.037 -14.037 -3.087 1.00 0.00 C ATOM 1843 C HIS A 114 -12.411 -14.341 -2.488 1.00 0.00 C ATOM 1844 O HIS A 114 -13.050 -13.462 -1.912 1.00 0.00 O ATOM 1845 CB HIS A 114 -9.939 -13.929 -2.026 1.00 0.00 C ATOM 1846 CG HIS A 114 -9.233 -15.232 -1.738 1.00 0.00 C ATOM 1847 ND1 HIS A 114 -9.758 -16.199 -0.898 1.00 0.00 N ATOM 1848 CD2 HIS A 114 -8.041 -15.718 -2.188 1.00 0.00 C ATOM 1849 CE1 HIS A 114 -8.910 -17.217 -0.851 1.00 0.00 C ATOM 1850 NE2 HIS A 114 -7.846 -16.916 -1.650 1.00 0.00 N ATOM 0 H HIS A 114 -10.396 -12.125 -3.660 1.00 0.00 H new ATOM 0 HA HIS A 114 -10.764 -14.877 -3.726 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.204 -13.194 -2.352 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.377 -13.553 -1.101 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.369 -15.214 -2.867 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -9.039 -18.125 -0.280 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -7.034 -17.513 -1.808 1.00 0.00 H new ATOM 1858 N PRO A 115 -12.837 -15.622 -2.650 1.00 0.00 N ATOM 1859 CA PRO A 115 -14.125 -16.054 -2.133 1.00 0.00 C ATOM 1860 C PRO A 115 -14.075 -16.226 -0.613 1.00 0.00 C ATOM 1861 O PRO A 115 -14.987 -15.797 0.093 1.00 0.00 O ATOM 1862 CB PRO A 115 -14.430 -17.350 -2.867 1.00 0.00 C ATOM 1863 CG PRO A 115 -13.101 -17.837 -3.422 1.00 0.00 C ATOM 1864 CD PRO A 115 -12.108 -16.690 -3.327 1.00 0.00 C ATOM 0 HA PRO A 115 -14.914 -15.321 -2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.866 -18.088 -2.193 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -15.151 -17.185 -3.668 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.744 -18.699 -2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -13.215 -18.159 -4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -11.220 -16.981 -2.765 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.772 -16.375 -4.315 1.00 0.00 H new ATOM 1872 N LEU A 116 -13.002 -16.854 -0.155 1.00 0.00 N ATOM 1873 CA LEU A 116 -12.822 -17.087 1.267 1.00 0.00 C ATOM 1874 C LEU A 116 -12.827 -15.746 2.005 1.00 0.00 C ATOM 1875 O LEU A 116 -13.291 -15.660 3.140 1.00 0.00 O ATOM 1876 CB LEU A 116 -11.565 -17.923 1.518 1.00 0.00 C ATOM 1877 CG LEU A 116 -11.400 -19.166 0.642 1.00 0.00 C ATOM 1878 CD1 LEU A 116 -10.366 -20.123 1.237 1.00 0.00 C ATOM 1879 CD2 LEU A 116 -12.747 -19.852 0.405 1.00 0.00 C ATOM 0 H LEU A 116 -12.249 -17.209 -0.744 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.651 -17.672 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.693 -17.284 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.563 -18.236 2.562 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.024 -18.851 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.268 -20.998 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.403 -19.618 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.689 -20.436 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.602 -20.733 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -13.175 -20.153 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.425 -19.160 -0.095 1.00 0.00 H new ATOM 1891 N ALA A 117 -12.304 -14.734 1.328 1.00 0.00 N ATOM 1892 CA ALA A 117 -12.242 -13.402 1.905 1.00 0.00 C ATOM 1893 C ALA A 117 -13.642 -12.785 1.906 1.00 0.00 C ATOM 1894 O ALA A 117 -14.044 -12.150 2.880 1.00 0.00 O ATOM 1895 CB ALA A 117 -11.233 -12.555 1.127 1.00 0.00 C ATOM 0 H ALA A 117 -11.920 -14.810 0.386 1.00 0.00 H new ATOM 0 HA ALA A 117 -11.901 -13.448 2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -11.186 -11.556 1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -10.249 -13.020 1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.544 -12.485 0.085 1.00 0.00 H new ATOM 1901 N GLN A 118 -14.347 -12.994 0.803 1.00 0.00 N ATOM 1902 CA GLN A 118 -15.694 -12.467 0.665 1.00 0.00 C ATOM 1903 C GLN A 118 -16.573 -12.947 1.822 1.00 0.00 C ATOM 1904 O GLN A 118 -17.615 -12.355 2.101 1.00 0.00 O ATOM 1905 CB GLN A 118 -16.300 -12.859 -0.684 1.00 0.00 C ATOM 1906 CG GLN A 118 -15.754 -11.976 -1.808 1.00 0.00 C ATOM 1907 CD GLN A 118 -16.236 -12.468 -3.174 1.00 0.00 C ATOM 1908 OE1 GLN A 118 -17.218 -13.182 -3.296 1.00 0.00 O ATOM 1909 NE2 GLN A 118 -15.491 -12.048 -4.193 1.00 0.00 N ATOM 0 H GLN A 118 -14.010 -13.521 -0.003 1.00 0.00 H new ATOM 0 HA GLN A 118 -15.643 -11.379 0.701 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -16.077 -13.904 -0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -17.385 -12.768 -0.639 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -16.075 -10.946 -1.654 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -14.664 -11.978 -1.780 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.682 -11.452 -4.021 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.729 -12.322 -5.146 1.00 0.00 H new ATOM 1918 N ASN A 119 -16.121 -14.014 2.463 1.00 0.00 N ATOM 1919 CA ASN A 119 -16.854 -14.580 3.583 1.00 0.00 C ATOM 1920 C ASN A 119 -16.355 -13.949 4.884 1.00 0.00 C ATOM 1921 O ASN A 119 -17.135 -13.723 5.808 1.00 0.00 O ATOM 1922 CB ASN A 119 -16.636 -16.092 3.676 1.00 0.00 C ATOM 1923 CG ASN A 119 -17.897 -16.797 4.179 1.00 0.00 C ATOM 1924 OD1 ASN A 119 -18.848 -17.022 3.448 1.00 0.00 O ATOM 1925 ND2 ASN A 119 -17.853 -17.134 5.465 1.00 0.00 N ATOM 0 H ASN A 119 -15.256 -14.502 2.229 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.914 -14.377 3.430 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -16.362 -16.484 2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -15.804 -16.303 4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -18.646 -17.610 5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -17.026 -16.916 6.021 1.00 0.00 H new ATOM 1932 N GLU A 120 -15.057 -13.684 4.916 1.00 0.00 N ATOM 1933 CA GLU A 120 -14.445 -13.084 6.089 1.00 0.00 C ATOM 1934 C GLU A 120 -15.245 -11.859 6.538 1.00 0.00 C ATOM 1935 O GLU A 120 -15.669 -11.053 5.711 1.00 0.00 O ATOM 1936 CB GLU A 120 -12.985 -12.715 5.817 1.00 0.00 C ATOM 1937 CG GLU A 120 -12.089 -13.954 5.861 1.00 0.00 C ATOM 1938 CD GLU A 120 -12.262 -14.710 7.180 1.00 0.00 C ATOM 1939 OE1 GLU A 120 -11.966 -14.096 8.228 1.00 0.00 O ATOM 1940 OE2 GLU A 120 -12.686 -15.883 7.110 1.00 0.00 O ATOM 0 H GLU A 120 -14.413 -13.874 4.148 1.00 0.00 H new ATOM 0 HA GLU A 120 -14.457 -13.817 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -12.903 -12.237 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -12.646 -11.990 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -12.331 -14.612 5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -11.047 -13.658 5.742 1.00 0.00 H new ATOM 1947 N ARG A 121 -15.428 -11.759 7.846 1.00 0.00 N ATOM 1948 CA ARG A 121 -16.170 -10.647 8.415 1.00 0.00 C ATOM 1949 C ARG A 121 -15.250 -9.440 8.610 1.00 0.00 C ATOM 1950 O ARG A 121 -15.720 -8.309 8.729 1.00 0.00 O ATOM 1951 CB ARG A 121 -16.791 -11.029 9.760 1.00 0.00 C ATOM 1952 CG ARG A 121 -17.954 -12.004 9.570 1.00 0.00 C ATOM 1953 CD ARG A 121 -19.090 -11.354 8.778 1.00 0.00 C ATOM 1954 NE ARG A 121 -20.369 -12.040 9.071 1.00 0.00 N ATOM 1955 CZ ARG A 121 -21.018 -11.950 10.240 1.00 0.00 C ATOM 1956 NH1 ARG A 121 -20.513 -11.204 11.231 1.00 0.00 N ATOM 1957 NH2 ARG A 121 -22.173 -12.607 10.417 1.00 0.00 N ATOM 0 H ARG A 121 -15.075 -12.430 8.528 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.969 -10.391 7.719 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -16.033 -11.482 10.399 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -17.143 -10.132 10.270 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.605 -12.895 9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -18.323 -12.329 10.543 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -19.167 -10.298 9.037 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -18.876 -11.406 7.710 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.782 -12.617 8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -19.634 -10.704 11.096 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.007 -11.136 12.121 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -22.557 -13.175 9.662 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -22.667 -12.539 11.307 1.00 0.00 H new ATOM 1971 N CYS A 122 -13.956 -9.721 8.638 1.00 0.00 N ATOM 1972 CA CYS A 122 -12.966 -8.672 8.817 1.00 0.00 C ATOM 1973 C CYS A 122 -13.032 -7.738 7.607 1.00 0.00 C ATOM 1974 O CYS A 122 -13.217 -6.531 7.759 1.00 0.00 O ATOM 1975 CB CYS A 122 -11.562 -9.247 9.018 1.00 0.00 C ATOM 1976 SG CYS A 122 -11.005 -8.950 10.736 1.00 0.00 S ATOM 0 H CYS A 122 -13.570 -10.660 8.540 1.00 0.00 H new ATOM 0 HA CYS A 122 -13.189 -8.108 9.723 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -11.564 -10.316 8.807 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -10.867 -8.785 8.317 1.00 0.00 H new ATOM 0 HG CYS A 122 -10.594 -7.722 10.853 1.00 0.00 H new ATOM 1982 N LEU A 123 -12.877 -8.331 6.433 1.00 0.00 N ATOM 1983 CA LEU A 123 -12.916 -7.567 5.197 1.00 0.00 C ATOM 1984 C LEU A 123 -14.183 -6.709 5.173 1.00 0.00 C ATOM 1985 O LEU A 123 -14.106 -5.483 5.116 1.00 0.00 O ATOM 1986 CB LEU A 123 -12.779 -8.495 3.989 1.00 0.00 C ATOM 1987 CG LEU A 123 -13.048 -7.861 2.622 1.00 0.00 C ATOM 1988 CD1 LEU A 123 -11.740 -7.474 1.930 1.00 0.00 C ATOM 1989 CD2 LEU A 123 -13.907 -8.780 1.751 1.00 0.00 C ATOM 0 H LEU A 123 -12.724 -9.332 6.311 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.067 -6.885 5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.770 -8.906 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.464 -9.333 4.120 1.00 0.00 H new ATOM 0 HG LEU A 123 -13.614 -6.942 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -11.960 -7.026 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.200 -6.756 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.127 -8.364 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -14.083 -8.306 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -13.389 -9.727 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -14.861 -8.962 2.245 1.00 0.00 H new ATOM 2001 N HIS A 124 -15.320 -7.389 5.219 1.00 0.00 N ATOM 2002 CA HIS A 124 -16.602 -6.704 5.203 1.00 0.00 C ATOM 2003 C HIS A 124 -16.520 -5.442 6.063 1.00 0.00 C ATOM 2004 O HIS A 124 -17.159 -4.436 5.758 1.00 0.00 O ATOM 2005 CB HIS A 124 -17.726 -7.647 5.638 1.00 0.00 C ATOM 2006 CG HIS A 124 -18.401 -8.366 4.495 1.00 0.00 C ATOM 2007 ND1 HIS A 124 -18.359 -9.677 4.118 1.00 0.00 N flip ATOM 2008 CD2 HIS A 124 -19.232 -7.726 3.592 1.00 0.00 C flip ATOM 2009 CE1 HIS A 124 -19.124 -9.829 3.044 1.00 0.00 C flip ATOM 2010 NE2 HIS A 124 -19.665 -8.621 2.716 1.00 0.00 N flip ATOM 0 H HIS A 124 -15.380 -8.406 5.267 1.00 0.00 H new ATOM 0 HA HIS A 124 -16.840 -6.393 4.186 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -17.320 -8.386 6.329 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -18.474 -7.075 6.187 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -19.485 -6.676 3.600 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -19.291 -10.757 2.517 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -20.293 -8.438 1.933 1.00 0.00 H new ATOM 2018 N MET A 125 -15.729 -5.535 7.121 1.00 0.00 N ATOM 2019 CA MET A 125 -15.555 -4.413 8.028 1.00 0.00 C ATOM 2020 C MET A 125 -14.775 -3.281 7.356 1.00 0.00 C ATOM 2021 O MET A 125 -15.297 -2.182 7.179 1.00 0.00 O ATOM 2022 CB MET A 125 -14.806 -4.878 9.278 1.00 0.00 C ATOM 2023 CG MET A 125 -15.441 -4.299 10.544 1.00 0.00 C ATOM 2024 SD MET A 125 -14.214 -3.413 11.492 1.00 0.00 S ATOM 2025 CE MET A 125 -13.492 -4.765 12.406 1.00 0.00 C ATOM 0 H MET A 125 -15.201 -6.371 7.371 1.00 0.00 H new ATOM 0 HA MET A 125 -16.540 -4.036 8.304 1.00 0.00 H new ATOM 0 HB2 MET A 125 -14.815 -5.967 9.328 1.00 0.00 H new ATOM 0 HB3 MET A 125 -13.762 -4.570 9.217 1.00 0.00 H new ATOM 0 HG2 MET A 125 -16.259 -3.630 10.277 1.00 0.00 H new ATOM 0 HG3 MET A 125 -15.868 -5.101 11.146 1.00 0.00 H new ATOM 0 HE1 MET A 125 -12.816 -4.371 13.165 1.00 0.00 H new ATOM 0 HE2 MET A 125 -14.282 -5.342 12.887 1.00 0.00 H new ATOM 0 HE3 MET A 125 -12.936 -5.409 11.725 1.00 0.00 H new ATOM 2035 N PHE A 126 -13.536 -3.590 7.000 1.00 0.00 N ATOM 2036 CA PHE A 126 -12.679 -2.612 6.351 1.00 0.00 C ATOM 2037 C PHE A 126 -13.482 -1.724 5.400 1.00 0.00 C ATOM 2038 O PHE A 126 -13.154 -0.553 5.212 1.00 0.00 O ATOM 2039 CB PHE A 126 -11.640 -3.394 5.545 1.00 0.00 C ATOM 2040 CG PHE A 126 -10.677 -2.511 4.749 1.00 0.00 C ATOM 2041 CD1 PHE A 126 -10.462 -1.223 5.130 1.00 0.00 C ATOM 2042 CD2 PHE A 126 -10.035 -3.013 3.661 1.00 0.00 C ATOM 2043 CE1 PHE A 126 -9.568 -0.403 4.392 1.00 0.00 C ATOM 2044 CE2 PHE A 126 -9.141 -2.194 2.922 1.00 0.00 C ATOM 2045 CZ PHE A 126 -8.926 -0.906 3.303 1.00 0.00 C ATOM 0 H PHE A 126 -13.106 -4.503 7.149 1.00 0.00 H new ATOM 0 HA PHE A 126 -12.215 -1.969 7.099 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -11.064 -4.021 6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -12.157 -4.063 4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -10.972 -0.824 5.994 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.205 -4.036 3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -9.398 0.620 4.695 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -8.632 -2.594 2.057 1.00 0.00 H new ATOM 0 HZ PHE A 126 -8.246 -0.283 2.741 1.00 0.00 H new ATOM 2055 N LEU A 127 -14.520 -2.313 4.825 1.00 0.00 N ATOM 2056 CA LEU A 127 -15.373 -1.590 3.897 1.00 0.00 C ATOM 2057 C LEU A 127 -16.743 -1.364 4.541 1.00 0.00 C ATOM 2058 O LEU A 127 -17.109 -2.058 5.489 1.00 0.00 O ATOM 2059 CB LEU A 127 -15.438 -2.315 2.552 1.00 0.00 C ATOM 2060 CG LEU A 127 -14.153 -3.015 2.105 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -14.466 -4.330 1.388 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -13.291 -2.086 1.248 1.00 0.00 C ATOM 0 H LEU A 127 -14.790 -3.284 4.984 1.00 0.00 H new ATOM 0 HA LEU A 127 -14.955 -0.607 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -16.235 -3.057 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.720 -1.593 1.786 1.00 0.00 H new ATOM 0 HG LEU A 127 -13.573 -3.263 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -13.535 -4.807 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.008 -4.992 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.078 -4.128 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -12.384 -2.609 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -13.850 -1.785 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -13.023 -1.202 1.826 1.00 0.00 H new ATOM 2074 N GLN A 128 -17.462 -0.392 4.000 1.00 0.00 N ATOM 2075 CA GLN A 128 -18.784 -0.067 4.509 1.00 0.00 C ATOM 2076 C GLN A 128 -18.671 0.657 5.853 1.00 0.00 C ATOM 2077 O GLN A 128 -19.178 1.766 6.008 1.00 0.00 O ATOM 2078 CB GLN A 128 -19.648 -1.323 4.634 1.00 0.00 C ATOM 2079 CG GLN A 128 -19.674 -2.104 3.318 1.00 0.00 C ATOM 2080 CD GLN A 128 -20.422 -3.429 3.481 1.00 0.00 C ATOM 2081 OE1 GLN A 128 -20.558 -3.964 4.569 1.00 0.00 O ATOM 2082 NE2 GLN A 128 -20.897 -3.925 2.343 1.00 0.00 N ATOM 0 H GLN A 128 -17.155 0.181 3.214 1.00 0.00 H new ATOM 0 HA GLN A 128 -19.272 0.600 3.798 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.260 -1.958 5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -20.663 -1.044 4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -20.154 -1.504 2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -18.654 -2.297 2.985 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -20.747 -3.425 1.467 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -21.412 -4.806 2.346 1.00 0.00 H new ATOM 2091 N GLU A 129 -18.003 -0.001 6.789 1.00 0.00 N ATOM 2092 CA GLU A 129 -17.818 0.566 8.114 1.00 0.00 C ATOM 2093 C GLU A 129 -16.869 1.764 8.050 1.00 0.00 C ATOM 2094 O GLU A 129 -15.708 1.621 7.670 1.00 0.00 O ATOM 2095 CB GLU A 129 -17.303 -0.490 9.095 1.00 0.00 C ATOM 2096 CG GLU A 129 -18.454 -1.335 9.644 1.00 0.00 C ATOM 2097 CD GLU A 129 -18.957 -0.777 10.977 1.00 0.00 C ATOM 2098 OE1 GLU A 129 -19.673 0.247 10.930 1.00 0.00 O ATOM 2099 OE2 GLU A 129 -18.614 -1.386 12.013 1.00 0.00 O ATOM 0 H GLU A 129 -17.583 -0.921 6.656 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.785 0.912 8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.580 -1.135 8.595 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.780 -0.003 9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.271 -1.355 8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.122 -2.364 9.779 1.00 0.00 H new ATOM 2106 N GLU A 130 -17.398 2.918 8.429 1.00 0.00 N ATOM 2107 CA GLU A 130 -16.613 4.141 8.419 1.00 0.00 C ATOM 2108 C GLU A 130 -15.342 3.961 9.253 1.00 0.00 C ATOM 2109 O GLU A 130 -14.246 4.286 8.798 1.00 0.00 O ATOM 2110 CB GLU A 130 -17.437 5.326 8.925 1.00 0.00 C ATOM 2111 CG GLU A 130 -18.422 4.886 10.010 1.00 0.00 C ATOM 2112 CD GLU A 130 -19.842 4.780 9.451 1.00 0.00 C ATOM 2113 OE1 GLU A 130 -20.351 5.826 8.991 1.00 0.00 O ATOM 2114 OE2 GLU A 130 -20.388 3.657 9.495 1.00 0.00 O ATOM 0 H GLU A 130 -18.361 3.032 8.745 1.00 0.00 H new ATOM 0 HA GLU A 130 -16.323 4.356 7.390 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -16.772 6.093 9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -17.982 5.775 8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -18.114 3.922 10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -18.404 5.600 10.834 1.00 0.00 H new ATOM 2121 N ALA A 131 -15.531 3.445 10.458 1.00 0.00 N ATOM 2122 CA ALA A 131 -14.414 3.219 11.359 1.00 0.00 C ATOM 2123 C ALA A 131 -14.379 1.743 11.761 1.00 0.00 C ATOM 2124 O ALA A 131 -15.390 1.189 12.190 1.00 0.00 O ATOM 2125 CB ALA A 131 -14.536 4.149 12.568 1.00 0.00 C ATOM 0 H ALA A 131 -16.441 3.177 10.832 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.470 3.449 10.865 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.698 3.979 13.244 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -14.527 5.186 12.232 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -15.471 3.945 13.091 1.00 0.00 H new ATOM 2131 N ILE A 132 -13.205 1.149 11.607 1.00 0.00 N ATOM 2132 CA ILE A 132 -13.025 -0.252 11.948 1.00 0.00 C ATOM 2133 C ILE A 132 -12.970 -0.399 13.470 1.00 0.00 C ATOM 2134 O ILE A 132 -12.179 0.269 14.134 1.00 0.00 O ATOM 2135 CB ILE A 132 -11.801 -0.826 11.231 1.00 0.00 C ATOM 2136 CG1 ILE A 132 -12.061 -0.963 9.729 1.00 0.00 C ATOM 2137 CG2 ILE A 132 -11.367 -2.150 11.861 1.00 0.00 C ATOM 2138 CD1 ILE A 132 -10.822 -1.493 9.005 1.00 0.00 C ATOM 0 H ILE A 132 -12.369 1.612 11.251 1.00 0.00 H new ATOM 0 HA ILE A 132 -13.874 -0.840 11.600 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.974 -0.126 11.353 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -12.901 -1.637 9.562 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -12.342 0.005 9.315 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -10.495 -2.536 11.332 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -11.114 -1.989 12.909 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -12.182 -2.870 11.791 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -11.033 -1.581 7.939 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -9.991 -0.804 9.154 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -10.558 -2.472 9.405 1.00 0.00 H new ATOM 2150 N ASP A 133 -13.821 -1.278 13.979 1.00 0.00 N ATOM 2151 CA ASP A 133 -13.879 -1.521 15.410 1.00 0.00 C ATOM 2152 C ASP A 133 -12.943 -2.677 15.766 1.00 0.00 C ATOM 2153 O ASP A 133 -13.382 -3.818 15.900 1.00 0.00 O ATOM 2154 CB ASP A 133 -15.294 -1.908 15.846 1.00 0.00 C ATOM 2155 CG ASP A 133 -16.359 -0.834 15.613 1.00 0.00 C ATOM 2156 OD1 ASP A 133 -16.216 0.248 16.222 1.00 0.00 O ATOM 2157 OD2 ASP A 133 -17.291 -1.120 14.831 1.00 0.00 O ATOM 0 H ASP A 133 -14.476 -1.831 13.426 1.00 0.00 H new ATOM 0 HA ASP A 133 -13.582 -0.604 15.919 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -15.588 -2.812 15.312 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -15.276 -2.156 16.907 1.00 0.00 H new ATOM 2162 N ARG A 134 -11.668 -2.342 15.907 1.00 0.00 N ATOM 2163 CA ARG A 134 -10.666 -3.338 16.244 1.00 0.00 C ATOM 2164 C ARG A 134 -11.238 -4.353 17.236 1.00 0.00 C ATOM 2165 O ARG A 134 -12.187 -4.052 17.959 1.00 0.00 O ATOM 2166 CB ARG A 134 -9.423 -2.685 16.853 1.00 0.00 C ATOM 2167 CG ARG A 134 -8.668 -1.862 15.807 1.00 0.00 C ATOM 2168 CD ARG A 134 -7.158 -1.935 16.038 1.00 0.00 C ATOM 2169 NE ARG A 134 -6.670 -0.659 16.608 1.00 0.00 N ATOM 2170 CZ ARG A 134 -5.490 -0.514 17.226 1.00 0.00 C ATOM 2171 NH1 ARG A 134 -4.670 -1.565 17.359 1.00 0.00 N ATOM 2172 NH2 ARG A 134 -5.131 0.682 17.711 1.00 0.00 N ATOM 0 H ARG A 134 -11.307 -1.395 15.794 1.00 0.00 H new ATOM 0 HA ARG A 134 -10.381 -3.846 15.323 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -9.715 -2.043 17.684 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.766 -3.454 17.260 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -8.905 -2.230 14.809 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -8.996 -0.824 15.850 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -6.925 -2.757 16.714 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.648 -2.141 15.097 1.00 0.00 H new ATOM 0 HE ARG A 134 -7.270 0.162 16.525 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -4.944 -2.476 16.990 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -3.772 -1.455 17.829 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -5.756 1.482 17.610 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -4.233 0.793 18.182 1.00 0.00 H new