USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 551 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 7 THR OG1 : rot -31:sc= 0.2 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 CYS SG : rot 26:sc= 0.0429 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= -0.0106 (180deg=-0.198) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 45 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.021) USER MOD Single : A 51 CYS SG : rot -51:sc= 0.0127 USER MOD Single : A 53 SER OG : rot -22:sc= 0.47 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -113:sc= -1.07 (180deg=-3.4!) USER MOD Single : A 67 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.0067) USER MOD Single : A 78 GLN :FLIP amide:sc= -1.69 F(o=-3.3,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 7 0.458 -17.733 0.895 1.00 0.00 N ATOM 92 CA THR A 7 -0.028 -16.928 -0.222 1.00 0.00 C ATOM 93 C THR A 7 0.374 -15.466 -0.048 1.00 0.00 C ATOM 94 O THR A 7 0.785 -15.050 1.035 1.00 0.00 O ATOM 95 CB THR A 7 -1.553 -17.047 -0.321 1.00 0.00 C ATOM 96 OG1 THR A 7 -2.136 -16.738 0.937 1.00 0.00 O ATOM 97 CG2 THR A 7 -1.933 -18.476 -0.723 1.00 0.00 C ATOM 0 HA THR A 7 0.422 -17.300 -1.142 1.00 0.00 H new ATOM 0 HB THR A 7 -1.921 -16.350 -1.074 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.520 -16.995 1.655 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.018 -18.558 -0.793 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.488 -18.712 -1.690 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.564 -19.175 0.027 1.00 0.00 H new ATOM 105 N MET A 8 0.255 -14.695 -1.127 1.00 0.00 N ATOM 106 CA MET A 8 0.610 -13.278 -1.095 1.00 0.00 C ATOM 107 C MET A 8 -0.071 -12.575 0.075 1.00 0.00 C ATOM 108 O MET A 8 0.562 -11.799 0.792 1.00 0.00 O ATOM 109 CB MET A 8 0.199 -12.606 -2.406 1.00 0.00 C ATOM 110 CG MET A 8 1.149 -13.041 -3.524 1.00 0.00 C ATOM 111 SD MET A 8 0.846 -12.038 -5.001 1.00 0.00 S ATOM 112 CE MET A 8 -0.315 -13.163 -5.816 1.00 0.00 C ATOM 0 H MET A 8 -0.083 -15.026 -2.031 1.00 0.00 H new ATOM 0 HA MET A 8 1.690 -13.200 -0.969 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.826 -12.877 -2.660 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.224 -11.522 -2.295 1.00 0.00 H new ATOM 0 HG2 MET A 8 2.184 -12.928 -3.201 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.000 -14.097 -3.752 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.635 -12.731 -6.764 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.174 -14.120 -6.000 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.184 -13.316 -5.175 1.00 0.00 H new ATOM 122 N PHE A 9 -1.363 -12.856 0.259 1.00 0.00 N ATOM 123 CA PHE A 9 -2.130 -12.252 1.347 1.00 0.00 C ATOM 124 C PHE A 9 -1.312 -12.245 2.636 1.00 0.00 C ATOM 125 O PHE A 9 -1.416 -11.327 3.449 1.00 0.00 O ATOM 126 CB PHE A 9 -3.426 -13.039 1.567 1.00 0.00 C ATOM 127 CG PHE A 9 -4.358 -12.252 2.462 1.00 0.00 C ATOM 128 CD1 PHE A 9 -4.220 -12.324 3.854 1.00 0.00 C ATOM 129 CD2 PHE A 9 -5.358 -11.451 1.899 1.00 0.00 C ATOM 130 CE1 PHE A 9 -5.084 -11.596 4.682 1.00 0.00 C ATOM 131 CE2 PHE A 9 -6.223 -10.725 2.727 1.00 0.00 C ATOM 132 CZ PHE A 9 -6.085 -10.796 4.119 1.00 0.00 C ATOM 0 H PHE A 9 -1.897 -13.496 -0.330 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.369 -11.224 1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.908 -13.238 0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.203 -14.006 2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.447 -12.941 4.289 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.463 -11.393 0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.978 -11.652 5.755 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.997 -10.110 2.292 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.750 -10.234 4.757 1.00 0.00 H new ATOM 142 N ASP A 10 -0.500 -13.281 2.806 1.00 0.00 N ATOM 143 CA ASP A 10 0.342 -13.407 3.989 1.00 0.00 C ATOM 144 C ASP A 10 1.314 -12.233 4.098 1.00 0.00 C ATOM 145 O ASP A 10 1.260 -11.458 5.050 1.00 0.00 O ATOM 146 CB ASP A 10 1.129 -14.721 3.926 1.00 0.00 C ATOM 147 CG ASP A 10 1.747 -15.026 5.288 1.00 0.00 C ATOM 148 OD1 ASP A 10 1.048 -15.575 6.124 1.00 0.00 O ATOM 149 OD2 ASP A 10 2.909 -14.706 5.475 1.00 0.00 O ATOM 0 H ASP A 10 -0.407 -14.047 2.139 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.302 -13.404 4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.469 -15.535 3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.911 -14.650 3.170 1.00 0.00 H new ATOM 154 N GLN A 11 2.209 -12.127 3.119 1.00 0.00 N ATOM 155 CA GLN A 11 3.219 -11.067 3.102 1.00 0.00 C ATOM 156 C GLN A 11 2.593 -9.683 3.128 1.00 0.00 C ATOM 157 O GLN A 11 2.878 -8.896 4.024 1.00 0.00 O ATOM 158 CB GLN A 11 4.087 -11.200 1.845 1.00 0.00 C ATOM 159 CG GLN A 11 5.569 -11.116 2.223 1.00 0.00 C ATOM 160 CD GLN A 11 6.436 -11.158 0.967 1.00 0.00 C ATOM 161 OE1 GLN A 11 7.223 -12.088 0.788 1.00 0.00 O ATOM 162 NE2 GLN A 11 6.342 -10.204 0.079 1.00 0.00 N ATOM 0 H GLN A 11 2.257 -12.764 2.324 1.00 0.00 H new ATOM 0 HA GLN A 11 3.827 -11.181 4.000 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.882 -12.149 1.350 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.838 -10.411 1.136 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.760 -10.196 2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.831 -11.943 2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.691 -9.433 0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.920 -10.230 -0.761 1.00 0.00 H new ATOM 171 N VAL A 12 1.765 -9.379 2.141 1.00 0.00 N ATOM 172 CA VAL A 12 1.144 -8.067 2.073 1.00 0.00 C ATOM 173 C VAL A 12 0.550 -7.691 3.413 1.00 0.00 C ATOM 174 O VAL A 12 0.951 -6.697 4.017 1.00 0.00 O ATOM 175 CB VAL A 12 0.065 -8.050 0.990 1.00 0.00 C ATOM 176 CG1 VAL A 12 0.669 -8.573 -0.296 1.00 0.00 C ATOM 177 CG2 VAL A 12 -1.110 -8.951 1.376 1.00 0.00 C ATOM 0 H VAL A 12 1.510 -10.014 1.385 1.00 0.00 H new ATOM 0 HA VAL A 12 1.909 -7.334 1.818 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.299 -7.029 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.087 -8.568 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.503 -7.937 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.026 -9.591 -0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.864 -8.922 0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.757 -9.975 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.547 -8.599 2.311 1.00 0.00 H new ATOM 187 N ALA A 13 -0.396 -8.488 3.883 1.00 0.00 N ATOM 188 CA ALA A 13 -1.014 -8.210 5.155 1.00 0.00 C ATOM 189 C ALA A 13 0.064 -7.975 6.208 1.00 0.00 C ATOM 190 O ALA A 13 -0.030 -7.056 7.019 1.00 0.00 O ATOM 191 CB ALA A 13 -1.930 -9.362 5.581 1.00 0.00 C ATOM 0 H ALA A 13 -0.744 -9.320 3.406 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.625 -7.312 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.385 -9.128 6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.712 -9.500 4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.346 -10.278 5.668 1.00 0.00 H new ATOM 197 N GLU A 14 1.099 -8.818 6.168 1.00 0.00 N ATOM 198 CA GLU A 14 2.215 -8.709 7.108 1.00 0.00 C ATOM 199 C GLU A 14 2.958 -7.388 6.916 1.00 0.00 C ATOM 200 O GLU A 14 3.190 -6.647 7.872 1.00 0.00 O ATOM 201 CB GLU A 14 3.184 -9.883 6.912 1.00 0.00 C ATOM 202 CG GLU A 14 2.952 -10.933 8.005 1.00 0.00 C ATOM 203 CD GLU A 14 1.633 -11.668 7.769 1.00 0.00 C ATOM 204 OE1 GLU A 14 0.593 -11.072 7.999 1.00 0.00 O ATOM 205 OE2 GLU A 14 1.682 -12.819 7.366 1.00 0.00 O ATOM 0 H GLU A 14 1.186 -9.581 5.497 1.00 0.00 H new ATOM 0 HA GLU A 14 1.814 -8.738 8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.036 -10.329 5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.214 -9.527 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.776 -11.646 8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.937 -10.452 8.983 1.00 0.00 H new ATOM 212 N VAL A 15 3.338 -7.115 5.669 1.00 0.00 N ATOM 213 CA VAL A 15 4.069 -5.892 5.338 1.00 0.00 C ATOM 214 C VAL A 15 3.286 -4.647 5.754 1.00 0.00 C ATOM 215 O VAL A 15 3.752 -3.862 6.579 1.00 0.00 O ATOM 216 CB VAL A 15 4.337 -5.839 3.828 1.00 0.00 C ATOM 217 CG1 VAL A 15 5.067 -4.539 3.483 1.00 0.00 C ATOM 218 CG2 VAL A 15 5.210 -7.029 3.414 1.00 0.00 C ATOM 0 H VAL A 15 3.152 -7.723 4.872 1.00 0.00 H new ATOM 0 HA VAL A 15 5.012 -5.907 5.885 1.00 0.00 H new ATOM 0 HB VAL A 15 3.387 -5.881 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.257 -4.502 2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.450 -3.688 3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.014 -4.500 4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.397 -6.987 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.158 -6.988 3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.696 -7.959 3.656 1.00 0.00 H new ATOM 228 N ILE A 16 2.100 -4.469 5.172 1.00 0.00 N ATOM 229 CA ILE A 16 1.264 -3.307 5.482 1.00 0.00 C ATOM 230 C ILE A 16 1.142 -3.117 6.993 1.00 0.00 C ATOM 231 O ILE A 16 1.291 -2.005 7.500 1.00 0.00 O ATOM 232 CB ILE A 16 -0.135 -3.486 4.869 1.00 0.00 C ATOM 233 CG1 ILE A 16 -0.021 -3.811 3.371 1.00 0.00 C ATOM 234 CG2 ILE A 16 -0.946 -2.198 5.042 1.00 0.00 C ATOM 235 CD1 ILE A 16 0.956 -2.849 2.685 1.00 0.00 C ATOM 0 H ILE A 16 1.698 -5.109 4.488 1.00 0.00 H new ATOM 0 HA ILE A 16 1.736 -2.422 5.055 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.636 -4.308 5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.319 -4.838 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.002 -3.738 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.936 -2.330 4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.044 -1.970 6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.435 -1.376 4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.024 -3.094 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.599 -1.825 2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.941 -2.943 3.143 1.00 0.00 H new ATOM 247 N GLU A 17 0.869 -4.210 7.702 1.00 0.00 N ATOM 248 CA GLU A 17 0.726 -4.165 9.157 1.00 0.00 C ATOM 249 C GLU A 17 1.941 -3.509 9.816 1.00 0.00 C ATOM 250 O GLU A 17 1.799 -2.712 10.743 1.00 0.00 O ATOM 251 CB GLU A 17 0.563 -5.587 9.707 1.00 0.00 C ATOM 252 CG GLU A 17 -0.884 -6.058 9.518 1.00 0.00 C ATOM 253 CD GLU A 17 -1.676 -5.891 10.814 1.00 0.00 C ATOM 254 OE1 GLU A 17 -1.176 -6.292 11.854 1.00 0.00 O ATOM 255 OE2 GLU A 17 -2.776 -5.369 10.747 1.00 0.00 O ATOM 0 H GLU A 17 0.742 -5.136 7.294 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.157 -3.570 9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.245 -6.265 9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.827 -5.610 10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.357 -5.486 8.720 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.895 -7.104 9.211 1.00 0.00 H new ATOM 262 N ARG A 18 3.131 -3.872 9.344 1.00 0.00 N ATOM 263 CA ARG A 18 4.375 -3.340 9.903 1.00 0.00 C ATOM 264 C ARG A 18 4.532 -1.839 9.641 1.00 0.00 C ATOM 265 O ARG A 18 4.892 -1.082 10.542 1.00 0.00 O ATOM 266 CB ARG A 18 5.573 -4.087 9.303 1.00 0.00 C ATOM 267 CG ARG A 18 5.839 -5.370 10.100 1.00 0.00 C ATOM 268 CD ARG A 18 6.691 -5.051 11.330 1.00 0.00 C ATOM 269 NE ARG A 18 6.430 -6.024 12.388 1.00 0.00 N ATOM 270 CZ ARG A 18 7.254 -6.154 13.426 1.00 0.00 C ATOM 271 NH1 ARG A 18 8.348 -5.445 13.487 1.00 0.00 N ATOM 272 NH2 ARG A 18 6.965 -6.993 14.384 1.00 0.00 N ATOM 0 H ARG A 18 3.262 -4.531 8.577 1.00 0.00 H new ATOM 0 HA ARG A 18 4.337 -3.488 10.982 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.375 -4.331 8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.456 -3.449 9.319 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.895 -5.820 10.407 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.350 -6.099 9.472 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.748 -5.066 11.064 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.467 -4.046 11.686 1.00 0.00 H new ATOM 0 HE ARG A 18 5.601 -6.615 12.331 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.573 -4.790 12.739 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.978 -5.546 14.283 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.110 -7.547 14.336 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.594 -7.094 15.180 1.00 0.00 H new ATOM 286 N LEU A 19 4.294 -1.421 8.400 1.00 0.00 N ATOM 287 CA LEU A 19 4.447 -0.011 8.027 1.00 0.00 C ATOM 288 C LEU A 19 3.312 0.858 8.574 1.00 0.00 C ATOM 289 O LEU A 19 3.523 2.028 8.893 1.00 0.00 O ATOM 290 CB LEU A 19 4.487 0.116 6.501 1.00 0.00 C ATOM 291 CG LEU A 19 5.868 -0.302 5.983 1.00 0.00 C ATOM 292 CD1 LEU A 19 5.981 -1.830 5.985 1.00 0.00 C ATOM 293 CD2 LEU A 19 6.052 0.221 4.555 1.00 0.00 C ATOM 0 H LEU A 19 3.996 -2.031 7.638 1.00 0.00 H new ATOM 0 HA LEU A 19 5.380 0.343 8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.715 -0.511 6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.273 1.143 6.206 1.00 0.00 H new ATOM 0 HG LEU A 19 6.639 0.116 6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.964 -2.123 5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.849 -2.203 7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.211 -2.253 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.033 -0.074 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.279 -0.198 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.975 1.308 4.553 1.00 0.00 H new ATOM 305 N ARG A 20 2.115 0.285 8.654 1.00 0.00 N ATOM 306 CA ARG A 20 0.934 1.008 9.137 1.00 0.00 C ATOM 307 C ARG A 20 1.274 2.013 10.245 1.00 0.00 C ATOM 308 O ARG A 20 1.078 3.216 10.069 1.00 0.00 O ATOM 309 CB ARG A 20 -0.105 0.008 9.648 1.00 0.00 C ATOM 310 CG ARG A 20 -1.213 -0.162 8.601 1.00 0.00 C ATOM 311 CD ARG A 20 -1.996 -1.455 8.860 1.00 0.00 C ATOM 312 NE ARG A 20 -1.737 -1.963 10.206 1.00 0.00 N ATOM 313 CZ ARG A 20 -2.732 -2.323 11.012 1.00 0.00 C ATOM 314 NH1 ARG A 20 -3.810 -2.867 10.518 1.00 0.00 N ATOM 315 NH2 ARG A 20 -2.628 -2.134 12.297 1.00 0.00 N ATOM 0 H ARG A 20 1.933 -0.683 8.390 1.00 0.00 H new ATOM 0 HA ARG A 20 0.532 1.576 8.298 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.369 -0.953 9.850 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.530 0.358 10.589 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.888 0.693 8.634 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.778 -0.186 7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.063 -1.269 8.736 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.716 -2.208 8.123 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.774 -2.043 10.534 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.891 -3.017 9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.572 -3.143 11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.784 -1.710 12.684 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.390 -2.410 12.916 1.00 0.00 H new ATOM 329 N PRO A 21 1.755 1.549 11.377 1.00 0.00 N ATOM 330 CA PRO A 21 2.107 2.425 12.534 1.00 0.00 C ATOM 331 C PRO A 21 2.848 3.701 12.122 1.00 0.00 C ATOM 332 O PRO A 21 2.604 4.771 12.681 1.00 0.00 O ATOM 333 CB PRO A 21 2.990 1.540 13.432 1.00 0.00 C ATOM 334 CG PRO A 21 3.100 0.204 12.757 1.00 0.00 C ATOM 335 CD PRO A 21 2.016 0.141 11.684 1.00 0.00 C ATOM 0 HA PRO A 21 1.209 2.784 13.037 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.975 1.987 13.565 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.550 1.436 14.424 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.087 0.079 12.312 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.972 -0.602 13.479 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.354 -0.406 10.804 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.121 -0.363 12.048 1.00 0.00 H new ATOM 343 N PHE A 22 3.747 3.584 11.147 1.00 0.00 N ATOM 344 CA PHE A 22 4.509 4.744 10.677 1.00 0.00 C ATOM 345 C PHE A 22 3.651 5.613 9.766 1.00 0.00 C ATOM 346 O PHE A 22 3.560 6.828 9.955 1.00 0.00 O ATOM 347 CB PHE A 22 5.750 4.282 9.909 1.00 0.00 C ATOM 348 CG PHE A 22 6.717 3.617 10.856 1.00 0.00 C ATOM 349 CD1 PHE A 22 7.634 4.389 11.581 1.00 0.00 C ATOM 350 CD2 PHE A 22 6.699 2.225 11.007 1.00 0.00 C ATOM 351 CE1 PHE A 22 8.532 3.768 12.456 1.00 0.00 C ATOM 352 CE2 PHE A 22 7.597 1.605 11.881 1.00 0.00 C ATOM 353 CZ PHE A 22 8.514 2.376 12.607 1.00 0.00 C ATOM 0 H PHE A 22 3.966 2.709 10.670 1.00 0.00 H new ATOM 0 HA PHE A 22 4.813 5.328 11.546 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.463 3.587 9.120 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.228 5.134 9.425 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.648 5.463 11.465 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.991 1.630 10.448 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.239 4.363 13.015 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.584 0.531 11.996 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.207 1.897 13.283 1.00 0.00 H new ATOM 363 N LEU A 23 3.025 4.980 8.780 1.00 0.00 N ATOM 364 CA LEU A 23 2.172 5.698 7.840 1.00 0.00 C ATOM 365 C LEU A 23 1.088 6.463 8.596 1.00 0.00 C ATOM 366 O LEU A 23 0.728 7.571 8.223 1.00 0.00 O ATOM 367 CB LEU A 23 1.517 4.706 6.870 1.00 0.00 C ATOM 368 CG LEU A 23 2.440 4.447 5.671 1.00 0.00 C ATOM 369 CD1 LEU A 23 3.851 4.091 6.153 1.00 0.00 C ATOM 370 CD2 LEU A 23 1.875 3.284 4.849 1.00 0.00 C ATOM 0 H LEU A 23 3.091 3.976 8.611 1.00 0.00 H new ATOM 0 HA LEU A 23 2.783 6.404 7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.306 3.769 7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.562 5.102 6.524 1.00 0.00 H new ATOM 0 HG LEU A 23 2.494 5.347 5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.495 3.910 5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.254 4.916 6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.809 3.193 6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.525 3.093 3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.822 2.391 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.876 3.540 4.495 1.00 0.00 H new ATOM 382 N LEU A 24 0.580 5.853 9.661 1.00 0.00 N ATOM 383 CA LEU A 24 -0.466 6.468 10.476 1.00 0.00 C ATOM 384 C LEU A 24 -0.036 7.838 10.997 1.00 0.00 C ATOM 385 O LEU A 24 -0.679 8.852 10.716 1.00 0.00 O ATOM 386 CB LEU A 24 -0.784 5.557 11.668 1.00 0.00 C ATOM 387 CG LEU A 24 -2.202 5.836 12.176 1.00 0.00 C ATOM 388 CD1 LEU A 24 -3.208 5.013 11.366 1.00 0.00 C ATOM 389 CD2 LEU A 24 -2.298 5.448 13.655 1.00 0.00 C ATOM 0 H LEU A 24 0.875 4.931 9.982 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.348 6.600 9.850 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.694 4.512 11.372 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.063 5.725 12.468 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.427 6.896 12.062 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.217 5.212 11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.140 5.288 10.314 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.985 3.952 11.479 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.306 5.646 14.018 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.073 4.388 13.768 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.583 6.034 14.232 1.00 0.00 H new ATOM 401 N ARG A 25 1.037 7.848 11.777 1.00 0.00 N ATOM 402 CA ARG A 25 1.551 9.076 12.376 1.00 0.00 C ATOM 403 C ARG A 25 1.826 10.168 11.339 1.00 0.00 C ATOM 404 O ARG A 25 1.676 11.353 11.635 1.00 0.00 O ATOM 405 CB ARG A 25 2.839 8.763 13.139 1.00 0.00 C ATOM 406 CG ARG A 25 2.535 7.791 14.283 1.00 0.00 C ATOM 407 CD ARG A 25 3.682 7.821 15.296 1.00 0.00 C ATOM 408 NE ARG A 25 3.634 6.637 16.149 1.00 0.00 N ATOM 409 CZ ARG A 25 3.686 6.733 17.475 1.00 0.00 C ATOM 410 NH1 ARG A 25 4.227 7.781 18.038 1.00 0.00 N ATOM 411 NH2 ARG A 25 3.202 5.777 18.217 1.00 0.00 N ATOM 0 H ARG A 25 1.573 7.013 12.012 1.00 0.00 H new ATOM 0 HA ARG A 25 0.784 9.457 13.050 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.576 8.328 12.465 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.272 9.682 13.534 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.599 8.066 14.769 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.407 6.781 13.892 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.637 7.863 14.773 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.614 8.721 15.907 1.00 0.00 H new ATOM 0 HE ARG A 25 3.559 5.715 15.719 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.611 8.529 17.461 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.265 7.851 19.055 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.783 4.955 17.781 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.242 5.851 19.234 1.00 0.00 H new ATOM 425 N ASP A 26 2.254 9.778 10.139 1.00 0.00 N ATOM 426 CA ASP A 26 2.572 10.767 9.105 1.00 0.00 C ATOM 427 C ASP A 26 1.447 10.915 8.079 1.00 0.00 C ATOM 428 O ASP A 26 0.930 12.015 7.877 1.00 0.00 O ATOM 429 CB ASP A 26 3.871 10.371 8.394 1.00 0.00 C ATOM 430 CG ASP A 26 4.882 9.814 9.398 1.00 0.00 C ATOM 431 OD1 ASP A 26 4.926 10.315 10.512 1.00 0.00 O ATOM 432 OD2 ASP A 26 5.599 8.896 9.038 1.00 0.00 O ATOM 0 H ASP A 26 2.387 8.806 9.860 1.00 0.00 H new ATOM 0 HA ASP A 26 2.693 11.731 9.599 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.661 9.624 7.628 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.294 11.238 7.886 1.00 0.00 H new ATOM 437 N GLY A 27 1.079 9.817 7.424 1.00 0.00 N ATOM 438 CA GLY A 27 0.023 9.858 6.412 1.00 0.00 C ATOM 439 C GLY A 27 -1.310 9.355 6.963 1.00 0.00 C ATOM 440 O GLY A 27 -2.211 10.144 7.253 1.00 0.00 O ATOM 0 H GLY A 27 1.491 8.896 7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.095 10.880 6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.316 9.249 5.556 1.00 0.00 H new ATOM 444 N GLY A 28 -1.425 8.035 7.103 1.00 0.00 N ATOM 445 CA GLY A 28 -2.649 7.425 7.614 1.00 0.00 C ATOM 446 C GLY A 28 -2.518 5.904 7.665 1.00 0.00 C ATOM 447 O GLY A 28 -1.421 5.373 7.832 1.00 0.00 O ATOM 0 H GLY A 28 -0.687 7.370 6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.863 7.809 8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.491 7.701 6.979 1.00 0.00 H new ATOM 451 N ASP A 29 -3.646 5.210 7.518 1.00 0.00 N ATOM 452 CA ASP A 29 -3.646 3.748 7.553 1.00 0.00 C ATOM 453 C ASP A 29 -3.962 3.175 6.175 1.00 0.00 C ATOM 454 O ASP A 29 -4.861 3.655 5.483 1.00 0.00 O ATOM 455 CB ASP A 29 -4.686 3.249 8.563 1.00 0.00 C ATOM 456 CG ASP A 29 -4.381 1.808 8.969 1.00 0.00 C ATOM 457 OD1 ASP A 29 -4.365 0.954 8.096 1.00 0.00 O ATOM 458 OD2 ASP A 29 -4.171 1.576 10.149 1.00 0.00 O ATOM 0 H ASP A 29 -4.564 5.632 7.375 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.653 3.413 7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.684 3.891 9.444 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.684 3.308 8.128 1.00 0.00 H new ATOM 463 N CYS A 30 -3.219 2.139 5.791 1.00 0.00 N ATOM 464 CA CYS A 30 -3.421 1.487 4.499 1.00 0.00 C ATOM 465 C CYS A 30 -3.974 0.080 4.707 1.00 0.00 C ATOM 466 O CYS A 30 -3.679 -0.565 5.715 1.00 0.00 O ATOM 467 CB CYS A 30 -2.095 1.412 3.742 1.00 0.00 C ATOM 468 SG CYS A 30 -2.408 0.945 2.021 1.00 0.00 S ATOM 0 H CYS A 30 -2.472 1.733 6.355 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.135 2.069 3.916 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.586 2.375 3.782 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.435 0.683 4.214 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.610 1.308 1.685 1.00 0.00 H new ATOM 474 N THR A 31 -4.786 -0.390 3.759 1.00 0.00 N ATOM 475 CA THR A 31 -5.374 -1.721 3.878 1.00 0.00 C ATOM 476 C THR A 31 -5.630 -2.341 2.506 1.00 0.00 C ATOM 477 O THR A 31 -6.323 -1.760 1.671 1.00 0.00 O ATOM 478 CB THR A 31 -6.692 -1.630 4.655 1.00 0.00 C ATOM 479 OG1 THR A 31 -6.479 -0.909 5.862 1.00 0.00 O ATOM 480 CG2 THR A 31 -7.201 -3.036 4.982 1.00 0.00 C ATOM 0 H THR A 31 -5.047 0.121 2.916 1.00 0.00 H new ATOM 0 HA THR A 31 -4.669 -2.359 4.412 1.00 0.00 H new ATOM 0 HB THR A 31 -7.434 -1.114 4.046 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.321 -0.848 6.360 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.138 -2.964 5.534 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.367 -3.587 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.461 -3.559 5.588 1.00 0.00 H new ATOM 488 N LEU A 32 -5.078 -3.536 2.294 1.00 0.00 N ATOM 489 CA LEU A 32 -5.261 -4.247 1.031 1.00 0.00 C ATOM 490 C LEU A 32 -6.702 -4.742 0.923 1.00 0.00 C ATOM 491 O LEU A 32 -7.219 -5.368 1.848 1.00 0.00 O ATOM 492 CB LEU A 32 -4.293 -5.434 0.952 1.00 0.00 C ATOM 493 CG LEU A 32 -4.435 -6.137 -0.405 1.00 0.00 C ATOM 494 CD1 LEU A 32 -3.050 -6.513 -0.938 1.00 0.00 C ATOM 495 CD2 LEU A 32 -5.271 -7.412 -0.237 1.00 0.00 C ATOM 0 H LEU A 32 -4.503 -4.029 2.978 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.053 -3.567 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.268 -5.088 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.500 -6.137 1.759 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.927 -5.464 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.154 -7.012 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.450 -5.611 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.559 -7.184 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.372 -7.911 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.777 -8.081 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.259 -7.152 0.142 1.00 0.00 H new ATOM 507 N VAL A 33 -7.348 -4.445 -0.203 1.00 0.00 N ATOM 508 CA VAL A 33 -8.737 -4.853 -0.406 1.00 0.00 C ATOM 509 C VAL A 33 -8.839 -6.097 -1.287 1.00 0.00 C ATOM 510 O VAL A 33 -9.726 -6.928 -1.085 1.00 0.00 O ATOM 511 CB VAL A 33 -9.533 -3.705 -1.038 1.00 0.00 C ATOM 512 CG1 VAL A 33 -10.967 -4.168 -1.325 1.00 0.00 C ATOM 513 CG2 VAL A 33 -9.567 -2.516 -0.069 1.00 0.00 C ATOM 0 H VAL A 33 -6.938 -3.929 -0.981 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.155 -5.098 0.570 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.056 -3.405 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.530 -3.350 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.946 -5.014 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.445 -4.469 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.132 -1.698 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.044 -2.820 0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.549 -2.184 0.135 1.00 0.00 H new ATOM 523 N ASP A 34 -7.948 -6.224 -2.270 1.00 0.00 N ATOM 524 CA ASP A 34 -7.991 -7.379 -3.163 1.00 0.00 C ATOM 525 C ASP A 34 -6.657 -7.583 -3.869 1.00 0.00 C ATOM 526 O ASP A 34 -6.067 -6.635 -4.390 1.00 0.00 O ATOM 527 CB ASP A 34 -9.094 -7.183 -4.207 1.00 0.00 C ATOM 528 CG ASP A 34 -9.652 -8.535 -4.639 1.00 0.00 C ATOM 529 OD1 ASP A 34 -9.058 -9.148 -5.513 1.00 0.00 O ATOM 530 OD2 ASP A 34 -10.664 -8.941 -4.091 1.00 0.00 O ATOM 0 H ASP A 34 -7.202 -5.556 -2.465 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.200 -8.264 -2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.892 -6.567 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.697 -6.651 -5.072 1.00 0.00 H new ATOM 535 N VAL A 35 -6.199 -8.834 -3.891 1.00 0.00 N ATOM 536 CA VAL A 35 -4.942 -9.173 -4.548 1.00 0.00 C ATOM 537 C VAL A 35 -5.221 -9.805 -5.911 1.00 0.00 C ATOM 538 O VAL A 35 -5.940 -10.801 -6.007 1.00 0.00 O ATOM 539 CB VAL A 35 -4.130 -10.138 -3.669 1.00 0.00 C ATOM 540 CG1 VAL A 35 -4.832 -11.500 -3.584 1.00 0.00 C ATOM 541 CG2 VAL A 35 -2.729 -10.323 -4.269 1.00 0.00 C ATOM 0 H VAL A 35 -6.679 -9.625 -3.463 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.361 -8.263 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.049 -9.718 -2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.246 -12.173 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.823 -11.372 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.926 -11.924 -4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.154 -11.007 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.815 -10.734 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.222 -9.359 -4.313 1.00 0.00 H new ATOM 551 N GLU A 36 -4.659 -9.217 -6.964 1.00 0.00 N ATOM 552 CA GLU A 36 -4.865 -9.732 -8.315 1.00 0.00 C ATOM 553 C GLU A 36 -3.644 -9.465 -9.187 1.00 0.00 C ATOM 554 O GLU A 36 -3.630 -8.522 -9.978 1.00 0.00 O ATOM 555 CB GLU A 36 -6.101 -9.082 -8.942 1.00 0.00 C ATOM 556 CG GLU A 36 -6.470 -9.810 -10.241 1.00 0.00 C ATOM 557 CD GLU A 36 -7.280 -11.066 -9.926 1.00 0.00 C ATOM 558 OE1 GLU A 36 -8.369 -10.926 -9.392 1.00 0.00 O ATOM 559 OE2 GLU A 36 -6.799 -12.149 -10.224 1.00 0.00 O ATOM 0 H GLU A 36 -4.063 -8.391 -6.910 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.018 -10.809 -8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.937 -9.120 -8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.905 -8.030 -9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.047 -9.148 -10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.565 -10.078 -10.786 1.00 0.00 H new ATOM 566 N ASP A 37 -2.628 -10.313 -9.037 1.00 0.00 N ATOM 567 CA ASP A 37 -1.396 -10.185 -9.813 1.00 0.00 C ATOM 568 C ASP A 37 -0.790 -8.791 -9.658 1.00 0.00 C ATOM 569 O ASP A 37 0.141 -8.597 -8.875 1.00 0.00 O ATOM 570 CB ASP A 37 -1.672 -10.483 -11.296 1.00 0.00 C ATOM 571 CG ASP A 37 -0.358 -10.667 -12.057 1.00 0.00 C ATOM 572 OD1 ASP A 37 0.481 -9.783 -11.981 1.00 0.00 O ATOM 573 OD2 ASP A 37 -0.213 -11.686 -12.710 1.00 0.00 O ATOM 0 H ASP A 37 -2.634 -11.097 -8.384 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.677 -10.910 -9.431 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.280 -11.383 -11.385 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.244 -9.667 -11.737 1.00 0.00 H new ATOM 578 N GLY A 38 -1.312 -7.827 -10.415 1.00 0.00 N ATOM 579 CA GLY A 38 -0.804 -6.460 -10.360 1.00 0.00 C ATOM 580 C GLY A 38 -1.908 -5.451 -10.054 1.00 0.00 C ATOM 581 O GLY A 38 -1.626 -4.354 -9.576 1.00 0.00 O ATOM 0 H GLY A 38 -2.082 -7.967 -11.069 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.029 -6.392 -9.597 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.337 -6.208 -11.312 1.00 0.00 H new ATOM 585 N ILE A 39 -3.158 -5.821 -10.331 1.00 0.00 N ATOM 586 CA ILE A 39 -4.288 -4.926 -10.082 1.00 0.00 C ATOM 587 C ILE A 39 -4.746 -5.043 -8.632 1.00 0.00 C ATOM 588 O ILE A 39 -5.856 -5.496 -8.348 1.00 0.00 O ATOM 589 CB ILE A 39 -5.454 -5.258 -11.024 1.00 0.00 C ATOM 590 CG1 ILE A 39 -4.952 -5.332 -12.473 1.00 0.00 C ATOM 591 CG2 ILE A 39 -6.523 -4.163 -10.921 1.00 0.00 C ATOM 592 CD1 ILE A 39 -4.807 -6.794 -12.898 1.00 0.00 C ATOM 0 H ILE A 39 -3.413 -6.727 -10.725 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.963 -3.903 -10.271 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.879 -6.220 -10.737 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.649 -4.819 -13.135 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.993 -4.821 -12.562 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.351 -4.399 -11.590 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.889 -4.107 -9.896 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.090 -3.204 -11.204 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.451 -6.840 -13.927 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.093 -7.294 -12.244 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.774 -7.291 -12.827 1.00 0.00 H new ATOM 604 N VAL A 40 -3.872 -4.639 -7.721 1.00 0.00 N ATOM 605 CA VAL A 40 -4.176 -4.701 -6.294 1.00 0.00 C ATOM 606 C VAL A 40 -4.897 -3.436 -5.826 1.00 0.00 C ATOM 607 O VAL A 40 -4.363 -2.324 -5.917 1.00 0.00 O ATOM 608 CB VAL A 40 -2.880 -4.888 -5.492 1.00 0.00 C ATOM 609 CG1 VAL A 40 -3.132 -4.585 -4.009 1.00 0.00 C ATOM 610 CG2 VAL A 40 -2.399 -6.337 -5.639 1.00 0.00 C ATOM 0 H VAL A 40 -2.949 -4.265 -7.941 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.836 -5.551 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.121 -4.205 -5.873 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.207 -4.720 -3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.475 -3.556 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.893 -5.263 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.479 -6.474 -5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.164 -7.015 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.212 -6.553 -6.691 1.00 0.00 H new ATOM 620 N LYS A 41 -6.106 -3.622 -5.302 1.00 0.00 N ATOM 621 CA LYS A 41 -6.890 -2.507 -4.784 1.00 0.00 C ATOM 622 C LYS A 41 -6.566 -2.314 -3.306 1.00 0.00 C ATOM 623 O LYS A 41 -6.403 -3.291 -2.575 1.00 0.00 O ATOM 624 CB LYS A 41 -8.386 -2.782 -4.962 1.00 0.00 C ATOM 625 CG LYS A 41 -8.661 -3.197 -6.411 1.00 0.00 C ATOM 626 CD LYS A 41 -10.160 -3.431 -6.603 1.00 0.00 C ATOM 627 CE LYS A 41 -10.409 -4.030 -7.989 1.00 0.00 C ATOM 628 NZ LYS A 41 -10.052 -3.029 -9.033 1.00 0.00 N ATOM 0 H LYS A 41 -6.562 -4.531 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.639 -1.601 -5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.705 -3.570 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.962 -1.891 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.313 -2.422 -7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.107 -4.105 -6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.536 -4.103 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.702 -2.491 -6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.814 -4.934 -8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.455 -4.319 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.406 -3.349 -9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.482 -2.112 -8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.018 -2.926 -9.076 1.00 0.00 H new ATOM 642 N LEU A 42 -6.459 -1.064 -2.868 1.00 0.00 N ATOM 643 CA LEU A 42 -6.139 -0.792 -1.469 1.00 0.00 C ATOM 644 C LEU A 42 -6.768 0.514 -1.004 1.00 0.00 C ATOM 645 O LEU A 42 -6.922 1.457 -1.781 1.00 0.00 O ATOM 646 CB LEU A 42 -4.617 -0.732 -1.274 1.00 0.00 C ATOM 647 CG LEU A 42 -4.000 0.270 -2.258 1.00 0.00 C ATOM 648 CD1 LEU A 42 -2.740 0.885 -1.644 1.00 0.00 C ATOM 649 CD2 LEU A 42 -3.628 -0.450 -3.560 1.00 0.00 C ATOM 0 H LEU A 42 -6.586 -0.235 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.549 -1.604 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.385 -0.439 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.183 -1.720 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.724 1.057 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.304 1.596 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.000 1.400 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.018 0.097 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.190 0.263 -4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.906 -1.239 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.523 -0.887 -4.002 1.00 0.00 H new ATOM 661 N GLN A 43 -7.120 0.559 0.278 1.00 0.00 N ATOM 662 CA GLN A 43 -7.721 1.750 0.859 1.00 0.00 C ATOM 663 C GLN A 43 -6.651 2.587 1.547 1.00 0.00 C ATOM 664 O GLN A 43 -5.535 2.114 1.781 1.00 0.00 O ATOM 665 CB GLN A 43 -8.803 1.359 1.871 1.00 0.00 C ATOM 666 CG GLN A 43 -10.178 1.409 1.198 1.00 0.00 C ATOM 667 CD GLN A 43 -11.228 0.771 2.102 1.00 0.00 C ATOM 668 OE1 GLN A 43 -11.704 -0.329 1.821 1.00 0.00 O ATOM 669 NE2 GLN A 43 -11.622 1.399 3.177 1.00 0.00 N ATOM 0 H GLN A 43 -6.999 -0.215 0.931 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.179 2.336 0.062 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.611 0.357 2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.780 2.037 2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.450 2.443 0.985 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.143 0.886 0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.227 2.310 3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.325 0.978 3.785 1.00 0.00 H new ATOM 678 N LEU A 44 -6.998 3.828 1.873 1.00 0.00 N ATOM 679 CA LEU A 44 -6.061 4.726 2.534 1.00 0.00 C ATOM 680 C LEU A 44 -6.809 5.686 3.452 1.00 0.00 C ATOM 681 O LEU A 44 -7.293 6.733 3.015 1.00 0.00 O ATOM 682 CB LEU A 44 -5.272 5.516 1.485 1.00 0.00 C ATOM 683 CG LEU A 44 -4.087 6.230 2.149 1.00 0.00 C ATOM 684 CD1 LEU A 44 -3.101 5.197 2.706 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.374 7.105 1.114 1.00 0.00 C ATOM 0 H LEU A 44 -7.917 4.232 1.691 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.369 4.135 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.912 4.844 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.922 6.245 1.002 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.456 6.852 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.262 5.711 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.605 4.574 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.733 4.570 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.532 7.613 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.011 6.480 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.071 7.846 0.722 1.00 0.00 H new ATOM 697 N HIS A 45 -6.897 5.315 4.726 1.00 0.00 N ATOM 698 CA HIS A 45 -7.584 6.138 5.715 1.00 0.00 C ATOM 699 C HIS A 45 -6.712 7.333 6.098 1.00 0.00 C ATOM 700 O HIS A 45 -6.076 7.342 7.155 1.00 0.00 O ATOM 701 CB HIS A 45 -7.902 5.303 6.964 1.00 0.00 C ATOM 702 CG HIS A 45 -8.532 3.997 6.559 1.00 0.00 C ATOM 703 ND1 HIS A 45 -9.907 3.839 6.461 1.00 0.00 N ATOM 704 CD2 HIS A 45 -7.989 2.778 6.225 1.00 0.00 C ATOM 705 CE1 HIS A 45 -10.142 2.567 6.086 1.00 0.00 C ATOM 706 NE2 HIS A 45 -9.009 1.879 5.927 1.00 0.00 N ATOM 0 H HIS A 45 -6.502 4.451 5.097 1.00 0.00 H new ATOM 0 HA HIS A 45 -8.516 6.502 5.284 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.989 5.117 7.530 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -8.576 5.855 7.619 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.933 2.553 6.198 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.128 2.154 5.932 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.912 0.903 5.647 1.00 0.00 H new ATOM 714 N GLY A 46 -6.682 8.337 5.224 1.00 0.00 N ATOM 715 CA GLY A 46 -5.882 9.531 5.468 1.00 0.00 C ATOM 716 C GLY A 46 -6.518 10.409 6.540 1.00 0.00 C ATOM 717 O GLY A 46 -6.208 10.280 7.724 1.00 0.00 O ATOM 0 H GLY A 46 -7.200 8.346 4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.878 9.242 5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.779 10.098 4.543 1.00 0.00 H new ATOM 721 N ALA A 47 -7.406 11.306 6.110 1.00 0.00 N ATOM 722 CA ALA A 47 -8.084 12.214 7.032 1.00 0.00 C ATOM 723 C ALA A 47 -7.074 13.107 7.750 1.00 0.00 C ATOM 724 O ALA A 47 -7.409 13.776 8.729 1.00 0.00 O ATOM 725 CB ALA A 47 -8.897 11.420 8.059 1.00 0.00 C ATOM 0 H ALA A 47 -7.671 11.422 5.132 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.759 12.845 6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.397 12.110 8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.643 10.815 7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.231 10.770 8.626 1.00 0.00 H new ATOM 763 N CYS A 51 -8.200 18.552 2.257 1.00 0.00 N ATOM 764 CA CYS A 51 -7.305 18.683 1.107 1.00 0.00 C ATOM 765 C CYS A 51 -5.873 18.311 1.499 1.00 0.00 C ATOM 766 O CYS A 51 -5.009 19.180 1.632 1.00 0.00 O ATOM 767 CB CYS A 51 -7.345 20.121 0.578 1.00 0.00 C ATOM 768 SG CYS A 51 -6.077 20.337 -0.695 1.00 0.00 S ATOM 0 HA CYS A 51 -7.640 18.003 0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -8.330 20.340 0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.178 20.824 1.394 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.931 19.925 -0.240 1.00 0.00 H new ATOM 774 N PRO A 52 -5.615 17.042 1.697 1.00 0.00 N ATOM 775 CA PRO A 52 -4.269 16.551 2.096 1.00 0.00 C ATOM 776 C PRO A 52 -3.250 16.674 0.968 1.00 0.00 C ATOM 777 O PRO A 52 -3.271 15.905 0.006 1.00 0.00 O ATOM 778 CB PRO A 52 -4.483 15.082 2.486 1.00 0.00 C ATOM 779 CG PRO A 52 -5.940 14.779 2.303 1.00 0.00 C ATOM 780 CD PRO A 52 -6.578 15.948 1.552 1.00 0.00 C ATOM 0 HA PRO A 52 -3.861 17.144 2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.873 14.427 1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.182 14.911 3.520 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.069 13.852 1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.424 14.638 3.270 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.746 15.703 0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.547 16.212 1.977 1.00 0.00 H new ATOM 788 N SER A 53 -2.354 17.645 1.106 1.00 0.00 N ATOM 789 CA SER A 53 -1.315 17.871 0.110 1.00 0.00 C ATOM 790 C SER A 53 -0.156 16.897 0.319 1.00 0.00 C ATOM 791 O SER A 53 0.735 16.783 -0.525 1.00 0.00 O ATOM 792 CB SER A 53 -0.811 19.313 0.210 1.00 0.00 C ATOM 793 OG SER A 53 0.221 19.523 -0.744 1.00 0.00 O ATOM 0 H SER A 53 -2.327 18.288 1.898 1.00 0.00 H new ATOM 0 HA SER A 53 -1.734 17.704 -0.882 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.631 20.009 0.033 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.437 19.510 1.215 1.00 0.00 H new ATOM 0 HG SER A 53 0.620 18.662 -0.989 1.00 0.00 H new ATOM 799 N SER A 54 -0.176 16.204 1.456 1.00 0.00 N ATOM 800 CA SER A 54 0.875 15.245 1.788 1.00 0.00 C ATOM 801 C SER A 54 0.570 13.868 1.199 1.00 0.00 C ATOM 802 O SER A 54 1.428 13.260 0.557 1.00 0.00 O ATOM 803 CB SER A 54 1.007 15.133 3.309 1.00 0.00 C ATOM 804 OG SER A 54 1.864 14.047 3.632 1.00 0.00 O ATOM 0 H SER A 54 -0.908 16.289 2.162 1.00 0.00 H new ATOM 0 HA SER A 54 1.811 15.602 1.360 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.407 16.060 3.719 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.026 14.982 3.760 1.00 0.00 H new ATOM 0 HG SER A 54 1.950 13.976 4.606 1.00 0.00 H new ATOM 810 N THR A 55 -0.648 13.376 1.429 1.00 0.00 N ATOM 811 CA THR A 55 -1.047 12.060 0.923 1.00 0.00 C ATOM 812 C THR A 55 -0.672 11.903 -0.549 1.00 0.00 C ATOM 813 O THR A 55 -0.300 10.814 -0.989 1.00 0.00 O ATOM 814 CB THR A 55 -2.558 11.866 1.095 1.00 0.00 C ATOM 815 OG1 THR A 55 -2.894 11.989 2.470 1.00 0.00 O ATOM 816 CG2 THR A 55 -2.963 10.475 0.592 1.00 0.00 C ATOM 0 H THR A 55 -1.371 13.864 1.958 1.00 0.00 H new ATOM 0 HA THR A 55 -0.516 11.301 1.498 1.00 0.00 H new ATOM 0 HB THR A 55 -3.088 12.624 0.519 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.860 11.867 2.583 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.038 10.342 0.716 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.705 10.380 -0.463 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.434 9.713 1.165 1.00 0.00 H new ATOM 824 N ILE A 56 -0.761 12.998 -1.304 1.00 0.00 N ATOM 825 CA ILE A 56 -0.416 12.970 -2.721 1.00 0.00 C ATOM 826 C ILE A 56 1.027 12.508 -2.894 1.00 0.00 C ATOM 827 O ILE A 56 1.321 11.643 -3.722 1.00 0.00 O ATOM 828 CB ILE A 56 -0.595 14.366 -3.334 1.00 0.00 C ATOM 829 CG1 ILE A 56 -2.081 14.745 -3.316 1.00 0.00 C ATOM 830 CG2 ILE A 56 -0.088 14.364 -4.781 1.00 0.00 C ATOM 831 CD1 ILE A 56 -2.236 16.244 -3.593 1.00 0.00 C ATOM 0 H ILE A 56 -1.067 13.908 -0.959 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.078 12.272 -3.233 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.025 15.091 -2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.622 14.169 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.518 14.497 -2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.217 15.356 -5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.968 14.096 -4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.655 13.638 -5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.293 16.509 -3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.709 16.812 -2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.816 16.479 -4.571 1.00 0.00 H new ATOM 843 N THR A 57 1.921 13.085 -2.096 1.00 0.00 N ATOM 844 CA THR A 57 3.336 12.728 -2.147 1.00 0.00 C ATOM 845 C THR A 57 3.526 11.275 -1.726 1.00 0.00 C ATOM 846 O THR A 57 4.246 10.518 -2.377 1.00 0.00 O ATOM 847 CB THR A 57 4.134 13.643 -1.212 1.00 0.00 C ATOM 848 OG1 THR A 57 3.934 14.997 -1.593 1.00 0.00 O ATOM 849 CG2 THR A 57 5.626 13.299 -1.294 1.00 0.00 C ATOM 0 H THR A 57 1.691 13.801 -1.407 1.00 0.00 H new ATOM 0 HA THR A 57 3.695 12.852 -3.169 1.00 0.00 H new ATOM 0 HB THR A 57 3.791 13.498 -0.187 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.442 15.584 -0.995 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.187 13.953 -0.627 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.777 12.261 -0.996 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.976 13.438 -2.317 1.00 0.00 H new ATOM 857 N LEU A 58 2.874 10.899 -0.629 1.00 0.00 N ATOM 858 CA LEU A 58 2.970 9.539 -0.114 1.00 0.00 C ATOM 859 C LEU A 58 2.532 8.527 -1.170 1.00 0.00 C ATOM 860 O LEU A 58 3.297 7.635 -1.535 1.00 0.00 O ATOM 861 CB LEU A 58 2.096 9.397 1.137 1.00 0.00 C ATOM 862 CG LEU A 58 2.319 8.023 1.779 1.00 0.00 C ATOM 863 CD1 LEU A 58 3.762 7.913 2.284 1.00 0.00 C ATOM 864 CD2 LEU A 58 1.351 7.850 2.954 1.00 0.00 C ATOM 0 H LEU A 58 2.275 11.517 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 58 4.010 9.339 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.338 10.185 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.046 9.518 0.872 1.00 0.00 H new ATOM 0 HG LEU A 58 2.139 7.244 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.915 6.934 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.450 8.036 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.949 8.691 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.507 6.874 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.532 8.631 3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.325 7.922 2.594 1.00 0.00 H new ATOM 876 N LYS A 59 1.298 8.673 -1.653 1.00 0.00 N ATOM 877 CA LYS A 59 0.762 7.768 -2.668 1.00 0.00 C ATOM 878 C LYS A 59 1.775 7.549 -3.789 1.00 0.00 C ATOM 879 O LYS A 59 2.135 6.413 -4.104 1.00 0.00 O ATOM 880 CB LYS A 59 -0.534 8.348 -3.245 1.00 0.00 C ATOM 881 CG LYS A 59 -1.282 7.267 -4.032 1.00 0.00 C ATOM 882 CD LYS A 59 -2.391 7.915 -4.868 1.00 0.00 C ATOM 883 CE LYS A 59 -3.518 8.398 -3.949 1.00 0.00 C ATOM 884 NZ LYS A 59 -3.183 9.749 -3.413 1.00 0.00 N ATOM 0 H LYS A 59 0.653 9.407 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 59 0.554 6.806 -2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.164 8.726 -2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.307 9.193 -3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.590 6.731 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.710 6.535 -3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.988 8.753 -5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.781 7.198 -5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.458 8.437 -4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.658 7.695 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.023 9.686 -2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.322 10.103 -3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.970 10.402 -3.601 1.00 0.00 H new ATOM 898 N ALA A 60 2.234 8.648 -4.383 1.00 0.00 N ATOM 899 CA ALA A 60 3.211 8.578 -5.463 1.00 0.00 C ATOM 900 C ALA A 60 4.505 7.931 -4.976 1.00 0.00 C ATOM 901 O ALA A 60 5.241 7.330 -5.759 1.00 0.00 O ATOM 902 CB ALA A 60 3.510 9.983 -5.984 1.00 0.00 C ATOM 0 H ALA A 60 1.945 9.594 -4.135 1.00 0.00 H new ATOM 0 HA ALA A 60 2.794 7.971 -6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.241 9.924 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.592 10.435 -6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.911 10.593 -5.175 1.00 0.00 H new ATOM 908 N GLY A 61 4.774 8.058 -3.678 1.00 0.00 N ATOM 909 CA GLY A 61 5.979 7.482 -3.095 1.00 0.00 C ATOM 910 C GLY A 61 5.929 5.961 -3.161 1.00 0.00 C ATOM 911 O GLY A 61 6.911 5.314 -3.524 1.00 0.00 O ATOM 0 H GLY A 61 4.176 8.552 -3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.858 7.846 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.078 7.804 -2.058 1.00 0.00 H new ATOM 915 N ILE A 62 4.777 5.402 -2.804 1.00 0.00 N ATOM 916 CA ILE A 62 4.597 3.951 -2.821 1.00 0.00 C ATOM 917 C ILE A 62 4.690 3.407 -4.244 1.00 0.00 C ATOM 918 O ILE A 62 5.574 2.608 -4.551 1.00 0.00 O ATOM 919 CB ILE A 62 3.242 3.566 -2.208 1.00 0.00 C ATOM 920 CG1 ILE A 62 2.789 4.662 -1.230 1.00 0.00 C ATOM 921 CG2 ILE A 62 3.382 2.235 -1.461 1.00 0.00 C ATOM 922 CD1 ILE A 62 1.617 4.163 -0.384 1.00 0.00 C ATOM 0 H ILE A 62 3.957 5.927 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 62 5.396 3.510 -2.224 1.00 0.00 H new ATOM 0 HB ILE A 62 2.500 3.462 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.618 4.948 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.494 5.554 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.422 1.960 -1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.700 1.459 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.124 2.339 -0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.305 4.948 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.784 3.900 -1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.925 3.285 0.183 1.00 0.00 H new ATOM 934 N GLU A 63 3.771 3.840 -5.110 1.00 0.00 N ATOM 935 CA GLU A 63 3.761 3.389 -6.503 1.00 0.00 C ATOM 936 C GLU A 63 5.176 3.393 -7.077 1.00 0.00 C ATOM 937 O GLU A 63 5.641 2.390 -7.621 1.00 0.00 O ATOM 938 CB GLU A 63 2.855 4.297 -7.341 1.00 0.00 C ATOM 939 CG GLU A 63 2.358 3.532 -8.573 1.00 0.00 C ATOM 940 CD GLU A 63 1.398 4.400 -9.385 1.00 0.00 C ATOM 941 OE1 GLU A 63 1.717 5.559 -9.607 1.00 0.00 O ATOM 942 OE2 GLU A 63 0.361 3.894 -9.778 1.00 0.00 O ATOM 0 H GLU A 63 3.029 4.498 -4.873 1.00 0.00 H new ATOM 0 HA GLU A 63 3.375 2.370 -6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.008 4.634 -6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.402 5.188 -7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.205 3.237 -9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.856 2.616 -8.262 1.00 0.00 H new ATOM 949 N ARG A 64 5.855 4.531 -6.935 1.00 0.00 N ATOM 950 CA ARG A 64 7.223 4.674 -7.421 1.00 0.00 C ATOM 951 C ARG A 64 8.111 3.584 -6.825 1.00 0.00 C ATOM 952 O ARG A 64 8.968 3.025 -7.511 1.00 0.00 O ATOM 953 CB ARG A 64 7.770 6.053 -7.037 1.00 0.00 C ATOM 954 CG ARG A 64 9.060 6.337 -7.814 1.00 0.00 C ATOM 955 CD ARG A 64 9.773 7.540 -7.191 1.00 0.00 C ATOM 956 NE ARG A 64 8.915 8.723 -7.236 1.00 0.00 N ATOM 957 CZ ARG A 64 8.809 9.457 -8.339 1.00 0.00 C ATOM 958 NH1 ARG A 64 9.855 9.670 -9.089 1.00 0.00 N ATOM 959 NH2 ARG A 64 7.657 9.970 -8.670 1.00 0.00 N ATOM 0 H ARG A 64 5.478 5.366 -6.487 1.00 0.00 H new ATOM 0 HA ARG A 64 7.222 4.576 -8.507 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.028 6.821 -7.254 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.965 6.091 -5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.711 5.463 -7.792 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.831 6.538 -8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.041 7.317 -6.158 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.702 7.737 -7.726 1.00 0.00 H new ATOM 0 HE ARG A 64 8.388 8.990 -6.405 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.758 9.273 -8.830 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.770 10.234 -9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.839 9.808 -8.083 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.574 10.534 -9.516 1.00 0.00 H new ATOM 973 N ALA A 65 7.894 3.285 -5.544 1.00 0.00 N ATOM 974 CA ALA A 65 8.674 2.257 -4.862 1.00 0.00 C ATOM 975 C ALA A 65 8.553 0.927 -5.595 1.00 0.00 C ATOM 976 O ALA A 65 9.542 0.226 -5.781 1.00 0.00 O ATOM 977 CB ALA A 65 8.189 2.090 -3.420 1.00 0.00 C ATOM 0 H ALA A 65 7.189 3.738 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 65 9.718 2.569 -4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.780 1.320 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.302 3.034 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.139 1.797 -3.421 1.00 0.00 H new ATOM 983 N LEU A 66 7.337 0.591 -6.019 1.00 0.00 N ATOM 984 CA LEU A 66 7.112 -0.657 -6.743 1.00 0.00 C ATOM 985 C LEU A 66 7.973 -0.686 -8.001 1.00 0.00 C ATOM 986 O LEU A 66 8.730 -1.626 -8.226 1.00 0.00 O ATOM 987 CB LEU A 66 5.632 -0.799 -7.120 1.00 0.00 C ATOM 988 CG LEU A 66 4.751 -0.498 -5.900 1.00 0.00 C ATOM 989 CD1 LEU A 66 3.276 -0.644 -6.285 1.00 0.00 C ATOM 990 CD2 LEU A 66 5.081 -1.476 -4.767 1.00 0.00 C ATOM 0 H LEU A 66 6.501 1.158 -5.876 1.00 0.00 H new ATOM 0 HA LEU A 66 7.388 -1.491 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.388 -0.116 -7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.435 -1.808 -7.482 1.00 0.00 H new ATOM 0 HG LEU A 66 4.942 0.521 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.651 -0.430 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.038 0.056 -7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.088 -1.662 -6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.453 -1.258 -3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.896 -2.497 -5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.130 -1.370 -4.489 1.00 0.00 H new ATOM 1002 N HIS A 67 7.859 0.360 -8.816 1.00 0.00 N ATOM 1003 CA HIS A 67 8.644 0.450 -10.044 1.00 0.00 C ATOM 1004 C HIS A 67 10.137 0.412 -9.725 1.00 0.00 C ATOM 1005 O HIS A 67 10.859 -0.476 -10.180 1.00 0.00 O ATOM 1006 CB HIS A 67 8.306 1.747 -10.786 1.00 0.00 C ATOM 1007 CG HIS A 67 6.966 1.607 -11.454 1.00 0.00 C ATOM 1008 ND1 HIS A 67 6.768 1.920 -12.790 1.00 0.00 N ATOM 1009 CD2 HIS A 67 5.748 1.181 -10.983 1.00 0.00 C ATOM 1010 CE1 HIS A 67 5.478 1.676 -13.075 1.00 0.00 C ATOM 1011 NE2 HIS A 67 4.809 1.223 -12.010 1.00 0.00 N ATOM 0 H HIS A 67 7.236 1.151 -8.650 1.00 0.00 H new ATOM 0 HA HIS A 67 8.398 -0.402 -10.678 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.291 2.584 -10.088 1.00 0.00 H new ATOM 0 HB3 HIS A 67 9.074 1.965 -11.529 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.549 0.862 -9.970 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.035 1.828 -14.048 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.824 0.964 -11.961 1.00 0.00 H new ATOM 1019 N GLU A 68 10.586 1.385 -8.937 1.00 0.00 N ATOM 1020 CA GLU A 68 11.991 1.476 -8.547 1.00 0.00 C ATOM 1021 C GLU A 68 12.399 0.294 -7.667 1.00 0.00 C ATOM 1022 O GLU A 68 13.582 0.102 -7.386 1.00 0.00 O ATOM 1023 CB GLU A 68 12.229 2.784 -7.783 1.00 0.00 C ATOM 1024 CG GLU A 68 13.699 3.206 -7.912 1.00 0.00 C ATOM 1025 CD GLU A 68 14.073 4.193 -6.803 1.00 0.00 C ATOM 1026 OE1 GLU A 68 13.602 4.018 -5.690 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.830 5.107 -7.083 1.00 0.00 O ATOM 0 H GLU A 68 9.996 2.124 -8.555 1.00 0.00 H new ATOM 0 HA GLU A 68 12.597 1.456 -9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.581 3.568 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.970 2.654 -6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.342 2.327 -7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.868 3.664 -8.887 1.00 0.00 H new ATOM 1034 N GLU A 69 11.415 -0.488 -7.224 1.00 0.00 N ATOM 1035 CA GLU A 69 11.685 -1.634 -6.368 1.00 0.00 C ATOM 1036 C GLU A 69 10.548 -2.649 -6.464 1.00 0.00 C ATOM 1037 O GLU A 69 9.506 -2.492 -5.827 1.00 0.00 O ATOM 1038 CB GLU A 69 11.854 -1.175 -4.910 1.00 0.00 C ATOM 1039 CG GLU A 69 13.272 -1.495 -4.431 1.00 0.00 C ATOM 1040 CD GLU A 69 13.452 -1.049 -2.980 1.00 0.00 C ATOM 1041 OE1 GLU A 69 13.599 0.143 -2.762 1.00 0.00 O ATOM 1042 OE2 GLU A 69 13.444 -1.904 -2.112 1.00 0.00 O ATOM 0 H GLU A 69 10.429 -0.347 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 69 12.608 -2.108 -6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.666 -0.104 -4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.123 -1.675 -4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.460 -2.565 -4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.001 -0.992 -5.067 1.00 0.00 H new ATOM 1049 N VAL A 70 10.772 -3.680 -7.274 1.00 0.00 N ATOM 1050 CA VAL A 70 9.797 -4.752 -7.496 1.00 0.00 C ATOM 1051 C VAL A 70 8.682 -4.298 -8.439 1.00 0.00 C ATOM 1052 O VAL A 70 7.544 -4.079 -8.019 1.00 0.00 O ATOM 1053 CB VAL A 70 9.201 -5.227 -6.164 1.00 0.00 C ATOM 1054 CG1 VAL A 70 8.185 -6.349 -6.419 1.00 0.00 C ATOM 1055 CG2 VAL A 70 10.321 -5.751 -5.263 1.00 0.00 C ATOM 0 H VAL A 70 11.638 -3.799 -7.799 1.00 0.00 H new ATOM 0 HA VAL A 70 10.322 -5.585 -7.963 1.00 0.00 H new ATOM 0 HB VAL A 70 8.699 -4.391 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.765 -6.682 -5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.385 -5.977 -7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.682 -7.186 -6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.899 -6.089 -4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.823 -6.584 -5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.040 -4.954 -5.075 1.00 0.00 H new ATOM 1065 N PRO A 71 8.993 -4.170 -9.704 1.00 0.00 N ATOM 1066 CA PRO A 71 8.011 -3.756 -10.743 1.00 0.00 C ATOM 1067 C PRO A 71 7.051 -4.893 -11.085 1.00 0.00 C ATOM 1068 O PRO A 71 6.735 -5.724 -10.233 1.00 0.00 O ATOM 1069 CB PRO A 71 8.879 -3.369 -11.956 1.00 0.00 C ATOM 1070 CG PRO A 71 10.310 -3.573 -11.559 1.00 0.00 C ATOM 1071 CD PRO A 71 10.318 -4.406 -10.279 1.00 0.00 C ATOM 0 HA PRO A 71 7.378 -2.934 -10.409 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.628 -3.984 -12.821 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.703 -2.332 -12.240 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.859 -4.082 -12.351 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.803 -2.615 -11.396 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.481 -5.463 -10.490 1.00 0.00 H new ATOM 0 HD3 PRO A 71 11.111 -4.091 -9.601 1.00 0.00 H new ATOM 1079 N GLY A 72 6.589 -4.922 -12.332 1.00 0.00 N ATOM 1080 CA GLY A 72 5.664 -5.963 -12.770 1.00 0.00 C ATOM 1081 C GLY A 72 4.220 -5.500 -12.615 1.00 0.00 C ATOM 1082 O GLY A 72 3.313 -6.036 -13.254 1.00 0.00 O ATOM 0 H GLY A 72 6.837 -4.243 -13.052 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.860 -6.216 -13.812 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.825 -6.869 -12.186 1.00 0.00 H new ATOM 1086 N VAL A 73 4.017 -4.498 -11.760 1.00 0.00 N ATOM 1087 CA VAL A 73 2.686 -3.955 -11.518 1.00 0.00 C ATOM 1088 C VAL A 73 2.132 -3.308 -12.779 1.00 0.00 C ATOM 1089 O VAL A 73 2.884 -2.822 -13.627 1.00 0.00 O ATOM 1090 CB VAL A 73 2.744 -2.927 -10.382 1.00 0.00 C ATOM 1091 CG1 VAL A 73 3.580 -3.486 -9.226 1.00 0.00 C ATOM 1092 CG2 VAL A 73 3.377 -1.624 -10.890 1.00 0.00 C ATOM 0 H VAL A 73 4.759 -4.048 -11.225 1.00 0.00 H new ATOM 0 HA VAL A 73 2.023 -4.772 -11.231 1.00 0.00 H new ATOM 0 HB VAL A 73 1.732 -2.722 -10.033 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.620 -2.754 -8.419 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.125 -4.406 -8.859 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.591 -3.696 -9.576 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.415 -0.898 -10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.388 -1.825 -11.245 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.778 -1.223 -11.708 1.00 0.00 H new ATOM 1102 N ILE A 74 0.812 -3.322 -12.897 1.00 0.00 N ATOM 1103 CA ILE A 74 0.149 -2.748 -14.057 1.00 0.00 C ATOM 1104 C ILE A 74 -0.821 -1.651 -13.627 1.00 0.00 C ATOM 1105 O ILE A 74 -1.051 -0.693 -14.365 1.00 0.00 O ATOM 1106 CB ILE A 74 -0.607 -3.844 -14.818 1.00 0.00 C ATOM 1107 CG1 ILE A 74 -0.101 -5.226 -14.377 1.00 0.00 C ATOM 1108 CG2 ILE A 74 -0.376 -3.670 -16.323 1.00 0.00 C ATOM 1109 CD1 ILE A 74 -0.626 -6.305 -15.329 1.00 0.00 C ATOM 0 H ILE A 74 0.181 -3.724 -12.204 1.00 0.00 H new ATOM 0 HA ILE A 74 0.903 -2.310 -14.711 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.672 -3.766 -14.600 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.989 -5.237 -14.367 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.431 -5.435 -13.359 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.913 -4.448 -16.866 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.741 -2.692 -16.636 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.690 -3.746 -16.539 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.262 -7.281 -15.009 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.716 -6.302 -15.317 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.274 -6.101 -16.340 1.00 0.00 H new ATOM 1121 N GLU A 75 -1.381 -1.801 -12.425 1.00 0.00 N ATOM 1122 CA GLU A 75 -2.331 -0.823 -11.894 1.00 0.00 C ATOM 1123 C GLU A 75 -2.432 -0.947 -10.373 1.00 0.00 C ATOM 1124 O GLU A 75 -2.182 -2.011 -9.810 1.00 0.00 O ATOM 1125 CB GLU A 75 -3.721 -1.057 -12.503 1.00 0.00 C ATOM 1126 CG GLU A 75 -3.741 -0.611 -13.970 1.00 0.00 C ATOM 1127 CD GLU A 75 -5.181 -0.401 -14.432 1.00 0.00 C ATOM 1128 OE1 GLU A 75 -5.982 -1.302 -14.244 1.00 0.00 O ATOM 1129 OE2 GLU A 75 -5.462 0.658 -14.970 1.00 0.00 O ATOM 0 H GLU A 75 -1.194 -2.588 -11.803 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.975 0.174 -12.154 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.983 -2.113 -12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.471 -0.504 -11.937 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.175 0.313 -14.085 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.256 -1.362 -14.594 1.00 0.00 H new ATOM 1136 N VAL A 76 -2.806 0.147 -9.717 1.00 0.00 N ATOM 1137 CA VAL A 76 -2.948 0.158 -8.263 1.00 0.00 C ATOM 1138 C VAL A 76 -4.039 1.150 -7.867 1.00 0.00 C ATOM 1139 O VAL A 76 -3.950 2.339 -8.180 1.00 0.00 O ATOM 1140 CB VAL A 76 -1.609 0.526 -7.605 1.00 0.00 C ATOM 1141 CG1 VAL A 76 -1.264 1.990 -7.892 1.00 0.00 C ATOM 1142 CG2 VAL A 76 -1.702 0.312 -6.090 1.00 0.00 C ATOM 0 H VAL A 76 -3.016 1.037 -10.168 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.234 -0.835 -7.916 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.827 -0.112 -8.017 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.313 2.239 -7.421 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.186 2.141 -8.969 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.047 2.634 -7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.751 0.574 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.491 0.943 -5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.930 -0.734 -5.884 1.00 0.00 H new ATOM 1152 N GLU A 77 -5.087 0.651 -7.210 1.00 0.00 N ATOM 1153 CA GLU A 77 -6.205 1.512 -6.815 1.00 0.00 C ATOM 1154 C GLU A 77 -6.064 1.983 -5.369 1.00 0.00 C ATOM 1155 O GLU A 77 -5.943 1.171 -4.452 1.00 0.00 O ATOM 1156 CB GLU A 77 -7.533 0.762 -6.982 1.00 0.00 C ATOM 1157 CG GLU A 77 -7.500 -0.098 -8.253 1.00 0.00 C ATOM 1158 CD GLU A 77 -7.270 0.774 -9.486 1.00 0.00 C ATOM 1159 OE1 GLU A 77 -6.120 1.002 -9.824 1.00 0.00 O ATOM 1160 OE2 GLU A 77 -8.248 1.198 -10.079 1.00 0.00 O ATOM 0 H GLU A 77 -5.186 -0.328 -6.943 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.193 2.388 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.715 0.131 -6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.357 1.474 -7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.708 -0.842 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.439 -0.642 -8.355 1.00 0.00 H new ATOM 1167 N GLN A 78 -6.094 3.303 -5.182 1.00 0.00 N ATOM 1168 CA GLN A 78 -5.979 3.902 -3.851 1.00 0.00 C ATOM 1169 C GLN A 78 -7.245 4.695 -3.520 1.00 0.00 C ATOM 1170 O GLN A 78 -7.291 5.912 -3.708 1.00 0.00 O ATOM 1171 CB GLN A 78 -4.763 4.835 -3.805 1.00 0.00 C ATOM 1172 CG GLN A 78 -3.479 4.010 -3.667 1.00 0.00 C ATOM 1173 CD GLN A 78 -2.903 4.146 -2.257 1.00 0.00 C ATOM 1174 OE1 GLN A 78 -3.686 4.473 -1.263 1.00 0.00 O flip ATOM 1175 NE2 GLN A 78 -1.704 3.950 -2.055 1.00 0.00 N flip ATOM 0 H GLN A 78 -6.197 3.980 -5.938 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.854 3.107 -3.116 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.722 5.439 -4.712 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.854 5.525 -2.966 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.689 2.962 -3.881 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.745 4.344 -4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.091 3.695 -2.830 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.324 4.043 -1.113 1.00 0.00 H new ATOM 1184 N VAL A 79 -8.273 3.998 -3.039 1.00 0.00 N ATOM 1185 CA VAL A 79 -9.540 4.651 -2.704 1.00 0.00 C ATOM 1186 C VAL A 79 -9.602 5.040 -1.227 1.00 0.00 C ATOM 1187 O VAL A 79 -8.906 4.466 -0.388 1.00 0.00 O ATOM 1188 CB VAL A 79 -10.717 3.722 -3.037 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -11.043 3.825 -4.529 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -10.353 2.271 -2.698 1.00 0.00 C ATOM 0 H VAL A 79 -8.256 2.992 -2.873 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.607 5.562 -3.299 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.584 4.022 -2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.878 3.166 -4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.312 4.853 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.171 3.530 -5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.194 1.620 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.482 1.969 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.124 2.192 -1.635 1.00 0.00 H new ATOM 1200 N PHE A 80 -10.452 6.020 -0.923 1.00 0.00 N ATOM 1201 CA PHE A 80 -10.628 6.494 0.448 1.00 0.00 C ATOM 1202 C PHE A 80 -11.876 5.873 1.063 1.00 0.00 C ATOM 1203 O PHE A 80 -12.607 5.139 0.396 1.00 0.00 O ATOM 1204 CB PHE A 80 -10.759 8.022 0.457 1.00 0.00 C ATOM 1205 CG PHE A 80 -9.423 8.663 0.765 1.00 0.00 C ATOM 1206 CD1 PHE A 80 -8.274 8.276 0.063 1.00 0.00 C ATOM 1207 CD2 PHE A 80 -9.340 9.654 1.751 1.00 0.00 C ATOM 1208 CE1 PHE A 80 -7.043 8.881 0.348 1.00 0.00 C ATOM 1209 CE2 PHE A 80 -8.110 10.259 2.034 1.00 0.00 C ATOM 1210 CZ PHE A 80 -6.963 9.873 1.334 1.00 0.00 C ATOM 0 H PHE A 80 -11.031 6.502 -1.611 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.758 6.201 1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -11.121 8.368 -0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.496 8.326 1.201 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -8.337 7.512 -0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.225 9.952 2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -6.156 8.583 -0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -8.047 11.024 2.793 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.014 10.340 1.554 1.00 0.00 H new