USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 707 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 Set 1.1: A 75 THR OG1 : rot 127:sc= 1.25 USER MOD Set 1.2: A 88 GLN : amide:sc= -2.56! C(o=-1.3!,f=-5.5!) USER MOD Set 2.1: A 73 ASN : amide:sc= -1.99 K(o=-1.5,f=-7.9!) USER MOD Set 2.2: A 92 SER OG : rot -107:sc= 0.452 USER MOD Single : A 15 GLN : amide:sc= -0.661 X(o=-0.66,f=-0.97) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0276 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 HIS : no HD1:sc= -3.13! C(o=-3.1!,f=-5.6!) USER MOD Single : A 43 ASN : amide:sc= -1.68 K(o=-1.7,f=-2.7!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -53:sc=0.000204 USER MOD Single : A 64 GLN : amide:sc= -3.85! C(o=-3.9!,f=-4.3!) USER MOD Single : A 66 ASN : amide:sc=-0.00445 X(o=-0.0044,f=0) USER MOD Single : A 71 MET CE :methyl -120:sc= 0 (180deg=-0.367) USER MOD Single : A 77 MET CE :methyl -172:sc= -5.78! (180deg=-6.58!) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -1.82 F(o=-2.4!,f=-1.8) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -1.57 K(o=-1.6,f=-5.6!) USER MOD Single : A 91 LYS NZ :NH3+ 139:sc= -1.39 (180deg=-3.4!) USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0139) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N ILE A 12 -7.961 -6.483 -7.558 1.00 0.00 N ATOM 130 CA ILE A 12 -7.009 -5.619 -8.245 1.00 0.00 C ATOM 131 C ILE A 12 -6.178 -4.816 -7.250 1.00 0.00 C ATOM 132 O ILE A 12 -6.627 -3.793 -6.734 1.00 0.00 O ATOM 133 CB ILE A 12 -7.721 -4.647 -9.204 1.00 0.00 C ATOM 134 CG1 ILE A 12 -8.869 -5.356 -9.925 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.733 -4.073 -10.208 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.754 -4.421 -10.719 1.00 0.00 C ATOM 0 HA ILE A 12 -6.352 -6.270 -8.822 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.135 -3.825 -8.621 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.456 -6.109 -10.596 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.478 -5.883 -9.191 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.252 -3.388 -10.878 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.946 -3.536 -9.678 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.291 -4.883 -10.788 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.546 -4.993 -11.203 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.196 -3.683 -10.050 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.158 -3.912 -11.477 1.00 0.00 H new ATOM 148 N TRP A 13 -4.964 -5.287 -6.986 1.00 0.00 N ATOM 149 CA TRP A 13 -4.069 -4.612 -6.054 1.00 0.00 C ATOM 150 C TRP A 13 -3.418 -3.397 -6.707 1.00 0.00 C ATOM 151 O TRP A 13 -2.474 -3.532 -7.484 1.00 0.00 O ATOM 152 CB TRP A 13 -2.992 -5.578 -5.558 1.00 0.00 C ATOM 153 CG TRP A 13 -3.529 -6.664 -4.675 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.117 -7.830 -5.076 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.529 -6.683 -3.244 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.483 -8.573 -3.979 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.132 -7.892 -2.843 1.00 0.00 C ATOM 158 CE3 TRP A 13 -3.076 -5.799 -2.261 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -4.293 -8.235 -1.504 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -3.238 -6.140 -0.932 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.841 -7.350 -0.563 1.00 0.00 C ATOM 0 H TRP A 13 -4.578 -6.133 -7.404 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.660 -4.271 -5.204 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.496 -6.030 -6.417 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.234 -5.017 -5.011 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.272 -8.125 -6.103 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.942 -9.484 -4.006 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.607 -4.865 -2.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -4.758 -9.167 -1.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.894 -5.463 -0.164 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.951 -7.589 0.484 1.00 0.00 H new ATOM 172 N GLU A 14 -3.929 -2.213 -6.385 1.00 0.00 N ATOM 173 CA GLU A 14 -3.396 -0.975 -6.942 1.00 0.00 C ATOM 174 C GLU A 14 -2.390 -0.338 -5.988 1.00 0.00 C ATOM 175 O GLU A 14 -2.546 -0.407 -4.769 1.00 0.00 O ATOM 176 CB GLU A 14 -4.531 0.009 -7.235 1.00 0.00 C ATOM 177 CG GLU A 14 -5.628 -0.571 -8.112 1.00 0.00 C ATOM 178 CD GLU A 14 -6.335 0.486 -8.937 1.00 0.00 C ATOM 179 OE1 GLU A 14 -5.784 0.890 -9.983 1.00 0.00 O ATOM 180 OE2 GLU A 14 -7.440 0.910 -8.538 1.00 0.00 O ATOM 0 H GLU A 14 -4.710 -2.085 -5.742 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.885 -1.217 -7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.967 0.338 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.118 0.893 -7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.198 -1.319 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.357 -1.084 -7.484 1.00 0.00 H new ATOM 187 N GLN A 15 -1.358 0.281 -6.552 1.00 0.00 N ATOM 188 CA GLN A 15 -0.326 0.929 -5.752 1.00 0.00 C ATOM 189 C GLN A 15 -0.643 2.407 -5.547 1.00 0.00 C ATOM 190 O GLN A 15 -1.255 3.045 -6.404 1.00 0.00 O ATOM 191 CB GLN A 15 1.040 0.778 -6.424 1.00 0.00 C ATOM 192 CG GLN A 15 1.845 -0.403 -5.906 1.00 0.00 C ATOM 193 CD GLN A 15 3.235 -0.472 -6.509 1.00 0.00 C ATOM 194 OE1 GLN A 15 4.202 -0.820 -5.831 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.341 -0.139 -7.790 1.00 0.00 N ATOM 0 H GLN A 15 -1.214 0.347 -7.560 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.300 0.443 -4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.897 0.666 -7.499 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.613 1.693 -6.272 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.927 -0.334 -4.821 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.311 -1.327 -6.127 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.513 0.143 -8.314 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.251 -0.166 -8.250 1.00 0.00 H new ATOM 204 N TYR A 16 -0.225 2.944 -4.407 1.00 0.00 N ATOM 205 CA TYR A 16 -0.467 4.346 -4.088 1.00 0.00 C ATOM 206 C TYR A 16 0.792 5.004 -3.533 1.00 0.00 C ATOM 207 O TYR A 16 1.201 4.738 -2.402 1.00 0.00 O ATOM 208 CB TYR A 16 -1.609 4.470 -3.077 1.00 0.00 C ATOM 209 CG TYR A 16 -2.933 3.953 -3.591 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.159 2.589 -3.736 1.00 0.00 C ATOM 211 CD2 TYR A 16 -3.957 4.827 -3.934 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.367 2.112 -4.207 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.169 4.358 -4.403 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.369 3.000 -4.539 1.00 0.00 C ATOM 215 OH TYR A 16 -6.574 2.529 -5.008 1.00 0.00 O ATOM 0 H TYR A 16 0.283 2.430 -3.688 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.747 4.859 -5.008 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.342 3.924 -2.172 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.722 5.517 -2.796 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.377 1.891 -3.476 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.803 5.891 -3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.526 1.049 -4.315 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.956 5.051 -4.662 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.170 3.284 -5.194 1.00 0.00 H new ATOM 225 N THR A 17 1.404 5.867 -4.338 1.00 0.00 N ATOM 226 CA THR A 17 2.617 6.564 -3.931 1.00 0.00 C ATOM 227 C THR A 17 2.287 7.862 -3.202 1.00 0.00 C ATOM 228 O THR A 17 2.001 8.882 -3.828 1.00 0.00 O ATOM 229 CB THR A 17 3.516 6.883 -5.141 1.00 0.00 C ATOM 230 OG1 THR A 17 3.910 5.670 -5.791 1.00 0.00 O ATOM 231 CG2 THR A 17 4.751 7.658 -4.708 1.00 0.00 C ATOM 0 H THR A 17 1.079 6.100 -5.276 1.00 0.00 H new ATOM 0 HA THR A 17 3.153 5.897 -3.256 1.00 0.00 H new ATOM 0 HB THR A 17 2.947 7.499 -5.837 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.480 5.881 -6.560 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.370 7.872 -5.579 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.447 8.594 -4.240 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.322 7.064 -3.994 1.00 0.00 H new ATOM 239 N VAL A 18 2.330 7.817 -1.874 1.00 0.00 N ATOM 240 CA VAL A 18 2.037 8.990 -1.059 1.00 0.00 C ATOM 241 C VAL A 18 3.246 9.393 -0.222 1.00 0.00 C ATOM 242 O VAL A 18 4.024 8.545 0.215 1.00 0.00 O ATOM 243 CB VAL A 18 0.839 8.738 -0.124 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.471 8.988 -0.855 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.887 7.324 0.434 1.00 0.00 C ATOM 0 H VAL A 18 2.565 6.981 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 18 1.788 9.799 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 18 0.899 9.436 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.306 8.805 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.504 10.021 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.544 8.317 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.033 7.163 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.852 6.608 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.810 7.186 0.997 1.00 0.00 H new ATOM 255 N THR A 19 3.397 10.695 0.000 1.00 0.00 N ATOM 256 CA THR A 19 4.511 11.212 0.784 1.00 0.00 C ATOM 257 C THR A 19 4.062 11.599 2.189 1.00 0.00 C ATOM 258 O THR A 19 3.081 12.323 2.361 1.00 0.00 O ATOM 259 CB THR A 19 5.154 12.438 0.107 1.00 0.00 C ATOM 260 OG1 THR A 19 4.211 13.062 -0.772 1.00 0.00 O ATOM 261 CG2 THR A 19 6.395 12.036 -0.675 1.00 0.00 C ATOM 0 H THR A 19 2.761 11.411 -0.352 1.00 0.00 H new ATOM 0 HA THR A 19 5.249 10.413 0.848 1.00 0.00 H new ATOM 0 HB THR A 19 5.447 13.143 0.885 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.626 13.841 -1.197 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.831 12.918 -1.144 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.122 11.588 0.002 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.122 11.314 -1.444 1.00 0.00 H new ATOM 269 N LEU A 20 4.786 11.112 3.191 1.00 0.00 N ATOM 270 CA LEU A 20 4.462 11.408 4.582 1.00 0.00 C ATOM 271 C LEU A 20 5.484 12.365 5.187 1.00 0.00 C ATOM 272 O LEU A 20 6.673 12.293 4.881 1.00 0.00 O ATOM 273 CB LEU A 20 4.410 10.116 5.400 1.00 0.00 C ATOM 274 CG LEU A 20 3.603 8.968 4.791 1.00 0.00 C ATOM 275 CD1 LEU A 20 4.179 7.627 5.217 1.00 0.00 C ATOM 276 CD2 LEU A 20 2.139 9.074 5.192 1.00 0.00 C ATOM 0 H LEU A 20 5.601 10.511 3.066 1.00 0.00 H new ATOM 0 HA LEU A 20 3.483 11.887 4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.431 9.770 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.993 10.347 6.380 1.00 0.00 H new ATOM 0 HG LEU A 20 3.667 9.039 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.592 6.822 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.212 7.551 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.146 7.545 6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.580 8.249 4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.055 9.028 6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.732 10.020 4.836 1.00 0.00 H new ATOM 288 N GLN A 21 5.011 13.259 6.049 1.00 0.00 N ATOM 289 CA GLN A 21 5.884 14.230 6.699 1.00 0.00 C ATOM 290 C GLN A 21 6.049 13.908 8.180 1.00 0.00 C ATOM 291 O GLN A 21 5.067 13.786 8.913 1.00 0.00 O ATOM 292 CB GLN A 21 5.325 15.644 6.531 1.00 0.00 C ATOM 293 CG GLN A 21 5.043 16.018 5.085 1.00 0.00 C ATOM 294 CD GLN A 21 4.447 17.406 4.947 1.00 0.00 C ATOM 295 OE1 GLN A 21 3.544 17.783 5.693 1.00 0.00 O ATOM 296 NE2 GLN A 21 4.952 18.174 3.989 1.00 0.00 N ATOM 0 H GLN A 21 4.029 13.331 6.314 1.00 0.00 H new ATOM 0 HA GLN A 21 6.863 14.176 6.223 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.404 15.732 7.107 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.033 16.358 6.951 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.969 15.966 4.513 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.359 15.288 4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.701 17.820 3.393 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.591 19.118 3.849 1.00 0.00 H new ATOM 305 N LYS A 22 7.297 13.773 8.616 1.00 0.00 N ATOM 306 CA LYS A 22 7.592 13.466 10.011 1.00 0.00 C ATOM 307 C LYS A 22 6.955 14.494 10.940 1.00 0.00 C ATOM 308 O LYS A 22 7.474 15.597 11.109 1.00 0.00 O ATOM 309 CB LYS A 22 9.105 13.427 10.237 1.00 0.00 C ATOM 310 CG LYS A 22 9.535 12.432 11.301 1.00 0.00 C ATOM 311 CD LYS A 22 10.895 11.832 10.986 1.00 0.00 C ATOM 312 CE LYS A 22 11.188 10.624 11.863 1.00 0.00 C ATOM 313 NZ LYS A 22 11.894 11.006 13.116 1.00 0.00 N ATOM 0 H LYS A 22 8.121 13.871 8.023 1.00 0.00 H new ATOM 0 HA LYS A 22 7.172 12.486 10.239 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.598 13.177 9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.447 14.422 10.522 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.571 12.928 12.271 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.794 11.636 11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.930 11.538 9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.669 12.585 11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.254 10.121 12.112 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.796 9.911 11.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.075 10.155 13.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.798 11.463 12.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.303 11.667 13.660 1.00 0.00 H new ATOM 327 N ASP A 23 5.829 14.124 11.541 1.00 0.00 N ATOM 328 CA ASP A 23 5.123 15.013 12.456 1.00 0.00 C ATOM 329 C ASP A 23 6.062 15.538 13.537 1.00 0.00 C ATOM 330 O ASP A 23 7.258 15.248 13.528 1.00 0.00 O ATOM 331 CB ASP A 23 3.941 14.285 13.099 1.00 0.00 C ATOM 332 CG ASP A 23 2.807 15.225 13.455 1.00 0.00 C ATOM 333 OD1 ASP A 23 2.368 15.988 12.570 1.00 0.00 O ATOM 334 OD2 ASP A 23 2.357 15.198 14.620 1.00 0.00 O ATOM 0 H ASP A 23 5.386 13.215 11.411 1.00 0.00 H new ATOM 0 HA ASP A 23 4.749 15.861 11.882 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.574 13.520 12.415 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.280 13.772 13.999 1.00 0.00 H new ATOM 339 N SER A 24 5.512 16.313 14.467 1.00 0.00 N ATOM 340 CA SER A 24 6.302 16.883 15.552 1.00 0.00 C ATOM 341 C SER A 24 7.293 15.860 16.097 1.00 0.00 C ATOM 342 O SER A 24 8.488 15.919 15.806 1.00 0.00 O ATOM 343 CB SER A 24 5.386 17.371 16.676 1.00 0.00 C ATOM 344 OG SER A 24 4.780 18.608 16.339 1.00 0.00 O ATOM 0 H SER A 24 4.523 16.560 14.491 1.00 0.00 H new ATOM 0 HA SER A 24 6.862 17.730 15.155 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.615 16.626 16.871 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.961 17.482 17.595 1.00 0.00 H new ATOM 0 HG SER A 24 4.198 18.898 17.072 1.00 0.00 H new ATOM 350 N LYS A 25 6.789 14.921 16.891 1.00 0.00 N ATOM 351 CA LYS A 25 7.628 13.883 17.478 1.00 0.00 C ATOM 352 C LYS A 25 7.295 12.516 16.888 1.00 0.00 C ATOM 353 O LYS A 25 8.163 11.839 16.337 1.00 0.00 O ATOM 354 CB LYS A 25 7.448 13.851 18.998 1.00 0.00 C ATOM 355 CG LYS A 25 8.034 15.061 19.705 1.00 0.00 C ATOM 356 CD LYS A 25 8.528 14.707 21.098 1.00 0.00 C ATOM 357 CE LYS A 25 8.652 15.943 21.975 1.00 0.00 C ATOM 358 NZ LYS A 25 9.849 16.756 21.622 1.00 0.00 N ATOM 0 H LYS A 25 5.803 14.858 17.143 1.00 0.00 H new ATOM 0 HA LYS A 25 8.667 14.117 17.246 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.385 13.786 19.228 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.915 12.949 19.392 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.859 15.463 19.117 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.279 15.844 19.774 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.840 13.999 21.560 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.496 14.211 21.027 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.755 16.553 21.871 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.713 15.642 23.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.898 17.589 22.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.707 16.182 21.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.779 17.065 20.632 1.00 0.00 H new ATOM 372 N ARG A 26 6.032 12.118 17.005 1.00 0.00 N ATOM 373 CA ARG A 26 5.585 10.832 16.482 1.00 0.00 C ATOM 374 C ARG A 26 6.213 10.552 15.119 1.00 0.00 C ATOM 375 O ARG A 26 6.708 9.454 14.867 1.00 0.00 O ATOM 376 CB ARG A 26 4.060 10.807 16.368 1.00 0.00 C ATOM 377 CG ARG A 26 3.352 10.663 17.705 1.00 0.00 C ATOM 378 CD ARG A 26 1.840 10.664 17.538 1.00 0.00 C ATOM 379 NE ARG A 26 1.290 12.016 17.538 1.00 0.00 N ATOM 380 CZ ARG A 26 0.967 12.678 18.643 1.00 0.00 C ATOM 381 NH1 ARG A 26 1.140 12.115 19.831 1.00 0.00 N ATOM 382 NH2 ARG A 26 0.472 13.906 18.562 1.00 0.00 N ATOM 0 H ARG A 26 5.301 12.667 17.457 1.00 0.00 H new ATOM 0 HA ARG A 26 5.903 10.054 17.176 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.725 11.725 15.886 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.766 9.981 15.720 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.665 9.736 18.186 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.647 11.480 18.364 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.578 10.166 16.604 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.386 10.088 18.344 1.00 0.00 H new ATOM 0 HE ARG A 26 1.146 12.478 16.640 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.522 11.172 19.898 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.891 12.625 20.678 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.339 14.343 17.650 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.224 14.413 19.412 1.00 0.00 H new ATOM 396 N GLY A 27 6.187 11.552 14.244 1.00 0.00 N ATOM 397 CA GLY A 27 6.756 11.393 12.918 1.00 0.00 C ATOM 398 C GLY A 27 5.713 11.025 11.881 1.00 0.00 C ATOM 399 O GLY A 27 4.673 11.676 11.777 1.00 0.00 O ATOM 0 H GLY A 27 5.782 12.470 14.429 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.246 12.321 12.623 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.525 10.621 12.946 1.00 0.00 H new ATOM 403 N PHE A 28 5.992 9.979 11.110 1.00 0.00 N ATOM 404 CA PHE A 28 5.072 9.527 10.073 1.00 0.00 C ATOM 405 C PHE A 28 3.796 8.960 10.688 1.00 0.00 C ATOM 406 O PHE A 28 2.856 8.605 9.978 1.00 0.00 O ATOM 407 CB PHE A 28 5.741 8.469 9.193 1.00 0.00 C ATOM 408 CG PHE A 28 7.072 8.898 8.647 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.189 10.063 7.906 1.00 0.00 C ATOM 410 CD2 PHE A 28 8.208 8.137 8.875 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.413 10.460 7.401 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.434 8.529 8.373 1.00 0.00 C ATOM 413 CZ PHE A 28 9.537 9.693 7.636 1.00 0.00 C ATOM 0 H PHE A 28 6.848 9.429 11.184 1.00 0.00 H new ATOM 0 HA PHE A 28 4.807 10.387 9.457 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.873 7.556 9.773 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.078 8.226 8.363 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.314 10.668 7.721 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.134 7.227 9.452 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.490 11.369 6.823 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.311 7.926 8.557 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.495 10.002 7.244 1.00 0.00 H new ATOM 423 N GLY A 29 3.771 8.878 12.015 1.00 0.00 N ATOM 424 CA GLY A 29 2.607 8.353 12.704 1.00 0.00 C ATOM 425 C GLY A 29 2.079 7.084 12.067 1.00 0.00 C ATOM 426 O GLY A 29 0.905 7.006 11.703 1.00 0.00 O ATOM 0 H GLY A 29 4.536 9.166 12.625 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.864 8.154 13.744 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.821 9.108 12.709 1.00 0.00 H new ATOM 430 N ILE A 30 2.947 6.087 11.929 1.00 0.00 N ATOM 431 CA ILE A 30 2.561 4.816 11.331 1.00 0.00 C ATOM 432 C ILE A 30 3.364 3.663 11.924 1.00 0.00 C ATOM 433 O ILE A 30 4.405 3.873 12.546 1.00 0.00 O ATOM 434 CB ILE A 30 2.757 4.830 9.803 1.00 0.00 C ATOM 435 CG1 ILE A 30 4.174 5.290 9.453 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.724 5.733 9.145 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.566 5.003 8.020 1.00 0.00 C ATOM 0 H ILE A 30 3.922 6.136 12.224 1.00 0.00 H new ATOM 0 HA ILE A 30 1.504 4.671 11.553 1.00 0.00 H new ATOM 0 HB ILE A 30 2.620 3.817 9.424 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.255 6.362 9.636 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.882 4.799 10.120 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.875 5.733 8.066 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.723 5.366 9.371 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.833 6.748 9.526 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.582 5.356 7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.518 3.929 7.838 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.881 5.517 7.346 1.00 0.00 H new ATOM 449 N ALA A 31 2.873 2.444 11.725 1.00 0.00 N ATOM 450 CA ALA A 31 3.547 1.256 12.237 1.00 0.00 C ATOM 451 C ALA A 31 3.311 0.056 11.326 1.00 0.00 C ATOM 452 O ALA A 31 2.249 -0.075 10.717 1.00 0.00 O ATOM 453 CB ALA A 31 3.074 0.950 13.650 1.00 0.00 C ATOM 0 H ALA A 31 2.012 2.253 11.213 1.00 0.00 H new ATOM 0 HA ALA A 31 4.618 1.456 12.259 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.585 0.061 14.020 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.299 1.795 14.300 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.998 0.774 13.644 1.00 0.00 H new ATOM 459 N VAL A 32 4.309 -0.818 11.236 1.00 0.00 N ATOM 460 CA VAL A 32 4.210 -2.008 10.400 1.00 0.00 C ATOM 461 C VAL A 32 4.251 -3.277 11.243 1.00 0.00 C ATOM 462 O VAL A 32 4.839 -3.298 12.325 1.00 0.00 O ATOM 463 CB VAL A 32 5.345 -2.059 9.360 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.177 -0.950 8.331 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.700 -1.961 10.045 1.00 0.00 C ATOM 0 H VAL A 32 5.195 -0.724 11.732 1.00 0.00 H new ATOM 0 HA VAL A 32 3.253 -1.951 9.881 1.00 0.00 H new ATOM 0 HB VAL A 32 5.295 -3.015 8.840 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.988 -1.002 7.605 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.223 -1.071 7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.200 0.018 8.832 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.490 -1.999 9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.764 -1.021 10.593 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.818 -2.793 10.739 1.00 0.00 H new ATOM 475 N SER A 33 3.623 -4.336 10.740 1.00 0.00 N ATOM 476 CA SER A 33 3.585 -5.609 11.449 1.00 0.00 C ATOM 477 C SER A 33 3.567 -6.777 10.467 1.00 0.00 C ATOM 478 O SER A 33 2.978 -6.689 9.391 1.00 0.00 O ATOM 479 CB SER A 33 2.357 -5.674 12.358 1.00 0.00 C ATOM 480 OG SER A 33 2.612 -6.468 13.504 1.00 0.00 O ATOM 0 H SER A 33 3.134 -4.337 9.845 1.00 0.00 H new ATOM 0 HA SER A 33 4.485 -5.684 12.060 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.074 -4.667 12.665 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.513 -6.088 11.806 1.00 0.00 H new ATOM 0 HG SER A 33 1.812 -6.492 14.070 1.00 0.00 H new ATOM 486 N GLY A 34 4.219 -7.872 10.847 1.00 0.00 N ATOM 487 CA GLY A 34 4.267 -9.042 9.990 1.00 0.00 C ATOM 488 C GLY A 34 5.361 -8.951 8.944 1.00 0.00 C ATOM 489 O GLY A 34 5.242 -8.203 7.975 1.00 0.00 O ATOM 0 H GLY A 34 4.715 -7.969 11.733 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.426 -9.930 10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.304 -9.165 9.494 1.00 0.00 H new ATOM 493 N GLY A 35 6.432 -9.714 9.143 1.00 0.00 N ATOM 494 CA GLY A 35 7.537 -9.700 8.202 1.00 0.00 C ATOM 495 C GLY A 35 7.663 -11.002 7.437 1.00 0.00 C ATOM 496 O GLY A 35 6.692 -11.746 7.301 1.00 0.00 O ATOM 0 H GLY A 35 6.554 -10.341 9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.400 -8.880 7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.465 -9.507 8.739 1.00 0.00 H new ATOM 500 N ARG A 36 8.862 -11.276 6.933 1.00 0.00 N ATOM 501 CA ARG A 36 9.111 -12.496 6.175 1.00 0.00 C ATOM 502 C ARG A 36 9.542 -13.632 7.098 1.00 0.00 C ATOM 503 O ARG A 36 9.647 -14.783 6.674 1.00 0.00 O ATOM 504 CB ARG A 36 10.186 -12.252 5.114 1.00 0.00 C ATOM 505 CG ARG A 36 11.589 -12.132 5.684 1.00 0.00 C ATOM 506 CD ARG A 36 12.634 -12.645 4.706 1.00 0.00 C ATOM 507 NE ARG A 36 12.836 -14.086 4.826 1.00 0.00 N ATOM 508 CZ ARG A 36 13.662 -14.780 4.051 1.00 0.00 C ATOM 509 NH1 ARG A 36 14.359 -14.167 3.104 1.00 0.00 N ATOM 510 NH2 ARG A 36 13.792 -16.089 4.222 1.00 0.00 N ATOM 0 H ARG A 36 9.676 -10.670 7.036 1.00 0.00 H new ATOM 0 HA ARG A 36 8.182 -12.783 5.683 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.165 -13.069 4.393 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.945 -11.339 4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.796 -11.090 5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.654 -12.695 6.615 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.326 -12.406 3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.579 -12.131 4.882 1.00 0.00 H new ATOM 0 HE ARG A 36 12.314 -14.588 5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.261 -13.161 2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.993 -14.702 2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.257 -16.564 4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.427 -16.621 3.626 1.00 0.00 H new ATOM 524 N ASP A 37 9.790 -13.300 8.360 1.00 0.00 N ATOM 525 CA ASP A 37 10.209 -14.292 9.343 1.00 0.00 C ATOM 526 C ASP A 37 9.237 -14.337 10.518 1.00 0.00 C ATOM 527 O ASP A 37 9.079 -15.370 11.167 1.00 0.00 O ATOM 528 CB ASP A 37 11.620 -13.981 9.844 1.00 0.00 C ATOM 529 CG ASP A 37 12.693 -14.640 9.000 1.00 0.00 C ATOM 530 OD1 ASP A 37 12.360 -15.575 8.242 1.00 0.00 O ATOM 531 OD2 ASP A 37 13.865 -14.220 9.096 1.00 0.00 O ATOM 0 H ASP A 37 9.708 -12.352 8.726 1.00 0.00 H new ATOM 0 HA ASP A 37 10.211 -15.269 8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.773 -12.902 9.843 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.718 -14.316 10.877 1.00 0.00 H new ATOM 536 N ASN A 38 8.589 -13.208 10.786 1.00 0.00 N ATOM 537 CA ASN A 38 7.633 -13.117 11.885 1.00 0.00 C ATOM 538 C ASN A 38 6.298 -12.562 11.399 1.00 0.00 C ATOM 539 O ASN A 38 5.801 -11.550 11.895 1.00 0.00 O ATOM 540 CB ASN A 38 8.191 -12.233 13.001 1.00 0.00 C ATOM 541 CG ASN A 38 9.056 -13.008 13.976 1.00 0.00 C ATOM 542 OD1 ASN A 38 8.586 -13.450 15.025 1.00 0.00 O ATOM 543 ND2 ASN A 38 10.327 -13.177 13.633 1.00 0.00 N ATOM 0 H ASN A 38 8.708 -12.344 10.258 1.00 0.00 H new ATOM 0 HA ASN A 38 7.468 -14.121 12.275 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.777 -11.426 12.562 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.365 -11.770 13.541 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.957 -13.691 14.249 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.673 -12.793 12.754 1.00 0.00 H new ATOM 550 N PRO A 39 5.701 -13.239 10.407 1.00 0.00 N ATOM 551 CA PRO A 39 4.414 -12.833 9.833 1.00 0.00 C ATOM 552 C PRO A 39 3.256 -13.040 10.803 1.00 0.00 C ATOM 553 O PRO A 39 2.554 -14.049 10.740 1.00 0.00 O ATOM 554 CB PRO A 39 4.263 -13.749 8.616 1.00 0.00 C ATOM 555 CG PRO A 39 5.081 -14.950 8.943 1.00 0.00 C ATOM 556 CD PRO A 39 6.236 -14.453 9.768 1.00 0.00 C ATOM 0 HA PRO A 39 4.394 -11.771 9.589 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.219 -14.015 8.447 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.619 -13.263 7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.494 -15.683 9.496 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.432 -15.441 8.036 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.549 -15.191 10.506 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.106 -14.232 9.150 1.00 0.00 H new ATOM 564 N HIS A 40 3.061 -12.078 11.700 1.00 0.00 N ATOM 565 CA HIS A 40 1.986 -12.155 12.682 1.00 0.00 C ATOM 566 C HIS A 40 0.659 -12.491 12.010 1.00 0.00 C ATOM 567 O HIS A 40 -0.173 -13.201 12.576 1.00 0.00 O ATOM 568 CB HIS A 40 1.867 -10.834 13.443 1.00 0.00 C ATOM 569 CG HIS A 40 0.554 -10.663 14.144 1.00 0.00 C ATOM 570 ND1 HIS A 40 -0.660 -10.714 13.492 1.00 0.00 N ATOM 571 CD2 HIS A 40 0.270 -10.444 15.449 1.00 0.00 C ATOM 572 CE1 HIS A 40 -1.634 -10.531 14.365 1.00 0.00 C ATOM 573 NE2 HIS A 40 -1.097 -10.365 15.561 1.00 0.00 N ATOM 0 H HIS A 40 3.634 -11.236 11.767 1.00 0.00 H new ATOM 0 HA HIS A 40 2.227 -12.951 13.387 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.672 -10.773 14.176 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.007 -10.008 12.745 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.985 -10.349 16.253 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.690 -10.519 14.140 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.613 -10.204 16.426 1.00 0.00 H new ATOM 582 N PHE A 41 0.466 -11.975 10.801 1.00 0.00 N ATOM 583 CA PHE A 41 -0.761 -12.219 10.052 1.00 0.00 C ATOM 584 C PHE A 41 -1.302 -13.618 10.334 1.00 0.00 C ATOM 585 O PHE A 41 -0.717 -14.616 9.913 1.00 0.00 O ATOM 586 CB PHE A 41 -0.511 -12.049 8.552 1.00 0.00 C ATOM 587 CG PHE A 41 -1.704 -11.530 7.801 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.789 -12.351 7.544 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.738 -10.220 7.350 1.00 0.00 C ATOM 590 CE1 PHE A 41 -3.888 -11.876 6.854 1.00 0.00 C ATOM 591 CE2 PHE A 41 -2.834 -9.739 6.659 1.00 0.00 C ATOM 592 CZ PHE A 41 -3.910 -10.569 6.409 1.00 0.00 C ATOM 0 H PHE A 41 1.144 -11.385 10.319 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.504 -11.490 10.374 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.326 -11.366 8.406 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.215 -13.009 8.130 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.776 -13.375 7.887 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.899 -9.568 7.541 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.729 -12.526 6.663 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.849 -8.715 6.315 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.766 -10.196 5.867 1.00 0.00 H new ATOM 602 N GLU A 42 -2.420 -13.681 11.049 1.00 0.00 N ATOM 603 CA GLU A 42 -3.038 -14.957 11.388 1.00 0.00 C ATOM 604 C GLU A 42 -2.821 -15.979 10.277 1.00 0.00 C ATOM 605 O GLU A 42 -2.320 -17.077 10.518 1.00 0.00 O ATOM 606 CB GLU A 42 -4.536 -14.773 11.641 1.00 0.00 C ATOM 607 CG GLU A 42 -5.229 -13.915 10.594 1.00 0.00 C ATOM 608 CD GLU A 42 -5.784 -14.733 9.445 1.00 0.00 C ATOM 609 OE1 GLU A 42 -5.723 -15.978 9.517 1.00 0.00 O ATOM 610 OE2 GLU A 42 -6.280 -14.127 8.472 1.00 0.00 O ATOM 0 H GLU A 42 -2.916 -12.864 11.405 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.566 -15.329 12.298 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.014 -15.752 11.671 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.677 -14.319 12.622 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.040 -13.359 11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.523 -13.181 10.205 1.00 0.00 H new ATOM 617 N ASN A 43 -3.202 -15.610 9.058 1.00 0.00 N ATOM 618 CA ASN A 43 -3.050 -16.495 7.909 1.00 0.00 C ATOM 619 C ASN A 43 -1.578 -16.805 7.652 1.00 0.00 C ATOM 620 O ASN A 43 -1.106 -17.904 7.937 1.00 0.00 O ATOM 621 CB ASN A 43 -3.674 -15.860 6.664 1.00 0.00 C ATOM 622 CG ASN A 43 -5.133 -16.236 6.494 1.00 0.00 C ATOM 623 OD1 ASN A 43 -6.007 -15.370 6.441 1.00 0.00 O ATOM 624 ND2 ASN A 43 -5.404 -17.533 6.406 1.00 0.00 N ATOM 0 H ASN A 43 -3.618 -14.704 8.841 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.566 -17.429 8.130 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.586 -14.776 6.730 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.116 -16.172 5.781 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.368 -17.846 6.290 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.648 -18.216 6.455 1.00 0.00 H new ATOM 631 N GLY A 44 -0.859 -15.826 7.111 1.00 0.00 N ATOM 632 CA GLY A 44 0.552 -16.014 6.825 1.00 0.00 C ATOM 633 C GLY A 44 1.056 -15.071 5.750 1.00 0.00 C ATOM 634 O GLY A 44 1.942 -15.424 4.973 1.00 0.00 O ATOM 0 H GLY A 44 -1.228 -14.907 6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.128 -15.861 7.738 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.722 -17.044 6.510 1.00 0.00 H new ATOM 638 N GLU A 45 0.488 -13.870 5.705 1.00 0.00 N ATOM 639 CA GLU A 45 0.884 -12.876 4.715 1.00 0.00 C ATOM 640 C GLU A 45 2.203 -12.214 5.105 1.00 0.00 C ATOM 641 O GLU A 45 2.279 -11.493 6.101 1.00 0.00 O ATOM 642 CB GLU A 45 -0.206 -11.813 4.562 1.00 0.00 C ATOM 643 CG GLU A 45 0.217 -10.624 3.716 1.00 0.00 C ATOM 644 CD GLU A 45 -0.497 -9.345 4.109 1.00 0.00 C ATOM 645 OE1 GLU A 45 -1.737 -9.290 3.967 1.00 0.00 O ATOM 646 OE2 GLU A 45 0.184 -8.400 4.558 1.00 0.00 O ATOM 0 H GLU A 45 -0.247 -13.562 6.342 1.00 0.00 H new ATOM 0 HA GLU A 45 1.021 -13.386 3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.088 -12.271 4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.498 -11.459 5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.293 -10.479 3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.017 -10.840 2.667 1.00 0.00 H new ATOM 653 N THR A 46 3.241 -12.465 4.314 1.00 0.00 N ATOM 654 CA THR A 46 4.557 -11.897 4.577 1.00 0.00 C ATOM 655 C THR A 46 4.737 -10.569 3.851 1.00 0.00 C ATOM 656 O THR A 46 5.756 -10.339 3.200 1.00 0.00 O ATOM 657 CB THR A 46 5.681 -12.860 4.148 1.00 0.00 C ATOM 658 OG1 THR A 46 5.543 -13.185 2.760 1.00 0.00 O ATOM 659 CG2 THR A 46 5.648 -14.134 4.978 1.00 0.00 C ATOM 0 H THR A 46 3.196 -13.058 3.486 1.00 0.00 H new ATOM 0 HA THR A 46 4.621 -11.732 5.653 1.00 0.00 H new ATOM 0 HB THR A 46 6.638 -12.364 4.312 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.262 -13.796 2.494 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.450 -14.798 4.657 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.782 -13.886 6.031 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.688 -14.632 4.842 1.00 0.00 H new ATOM 667 N SER A 47 3.741 -9.696 3.969 1.00 0.00 N ATOM 668 CA SER A 47 3.789 -8.390 3.321 1.00 0.00 C ATOM 669 C SER A 47 3.625 -7.270 4.344 1.00 0.00 C ATOM 670 O SER A 47 2.510 -6.950 4.756 1.00 0.00 O ATOM 671 CB SER A 47 2.697 -8.287 2.255 1.00 0.00 C ATOM 672 OG SER A 47 3.050 -9.013 1.090 1.00 0.00 O ATOM 0 H SER A 47 2.892 -9.869 4.507 1.00 0.00 H new ATOM 0 HA SER A 47 4.763 -8.283 2.844 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.758 -8.669 2.654 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.532 -7.240 1.999 1.00 0.00 H new ATOM 0 HG SER A 47 2.335 -8.932 0.425 1.00 0.00 H new ATOM 678 N ILE A 48 4.744 -6.679 4.748 1.00 0.00 N ATOM 679 CA ILE A 48 4.725 -5.594 5.721 1.00 0.00 C ATOM 680 C ILE A 48 3.477 -4.732 5.560 1.00 0.00 C ATOM 681 O ILE A 48 3.398 -3.898 4.659 1.00 0.00 O ATOM 682 CB ILE A 48 5.972 -4.700 5.592 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.243 -5.527 5.796 1.00 0.00 C ATOM 684 CG2 ILE A 48 5.911 -3.557 6.594 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.093 -6.619 6.832 1.00 0.00 C ATOM 0 H ILE A 48 5.675 -6.933 4.417 1.00 0.00 H new ATOM 0 HA ILE A 48 4.720 -6.056 6.708 1.00 0.00 H new ATOM 0 HB ILE A 48 5.994 -4.276 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.531 -5.976 4.846 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.055 -4.863 6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.800 -2.934 6.490 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.022 -2.955 6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.868 -3.962 7.605 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.032 -7.164 6.924 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.835 -6.175 7.794 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.303 -7.305 6.526 1.00 0.00 H new ATOM 697 N VAL A 49 2.504 -4.939 6.442 1.00 0.00 N ATOM 698 CA VAL A 49 1.260 -4.180 6.400 1.00 0.00 C ATOM 699 C VAL A 49 1.190 -3.176 7.546 1.00 0.00 C ATOM 700 O VAL A 49 1.681 -3.438 8.644 1.00 0.00 O ATOM 701 CB VAL A 49 0.033 -5.108 6.470 1.00 0.00 C ATOM 702 CG1 VAL A 49 -0.402 -5.525 5.073 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.336 -6.327 7.329 1.00 0.00 C ATOM 0 H VAL A 49 2.554 -5.626 7.194 1.00 0.00 H new ATOM 0 HA VAL A 49 1.248 -3.645 5.450 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.789 -4.561 6.932 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.270 -6.180 5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.662 -4.639 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.414 -6.055 4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.542 -6.972 7.368 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.172 -6.877 6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.595 -6.006 8.338 1.00 0.00 H new ATOM 713 N ILE A 50 0.576 -2.028 7.282 1.00 0.00 N ATOM 714 CA ILE A 50 0.440 -0.985 8.292 1.00 0.00 C ATOM 715 C ILE A 50 -0.732 -1.272 9.224 1.00 0.00 C ATOM 716 O ILE A 50 -1.893 -1.126 8.841 1.00 0.00 O ATOM 717 CB ILE A 50 0.243 0.400 7.648 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.543 0.872 6.993 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.228 1.405 8.688 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.459 1.617 7.937 1.00 0.00 C ATOM 0 H ILE A 50 0.165 -1.796 6.378 1.00 0.00 H new ATOM 0 HA ILE A 50 1.366 -0.980 8.868 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.522 0.320 6.876 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.073 0.008 6.592 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.301 1.518 6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.363 2.379 8.218 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.175 1.073 9.112 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.516 1.484 9.480 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.360 1.921 7.405 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.947 2.500 8.319 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.731 0.967 8.769 1.00 0.00 H new ATOM 732 N SER A 51 -0.421 -1.679 10.450 1.00 0.00 N ATOM 733 CA SER A 51 -1.448 -1.989 11.437 1.00 0.00 C ATOM 734 C SER A 51 -1.633 -0.829 12.410 1.00 0.00 C ATOM 735 O SER A 51 -2.196 -0.996 13.493 1.00 0.00 O ATOM 736 CB SER A 51 -1.082 -3.260 12.205 1.00 0.00 C ATOM 737 OG SER A 51 -2.242 -3.921 12.680 1.00 0.00 O ATOM 0 H SER A 51 0.535 -1.802 10.784 1.00 0.00 H new ATOM 0 HA SER A 51 -2.387 -2.151 10.908 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.517 -3.930 11.557 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.434 -3.008 13.044 1.00 0.00 H new ATOM 0 HG SER A 51 -2.789 -3.292 13.195 1.00 0.00 H new ATOM 743 N ASP A 52 -1.155 0.347 12.017 1.00 0.00 N ATOM 744 CA ASP A 52 -1.268 1.536 12.853 1.00 0.00 C ATOM 745 C ASP A 52 -1.181 2.804 12.009 1.00 0.00 C ATOM 746 O ASP A 52 -0.152 3.083 11.393 1.00 0.00 O ATOM 747 CB ASP A 52 -0.171 1.542 13.919 1.00 0.00 C ATOM 748 CG ASP A 52 -0.190 0.292 14.777 1.00 0.00 C ATOM 749 OD1 ASP A 52 0.363 -0.737 14.336 1.00 0.00 O ATOM 750 OD2 ASP A 52 -0.760 0.342 15.887 1.00 0.00 O ATOM 0 H ASP A 52 -0.686 0.502 11.125 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.241 1.514 13.344 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.801 1.632 13.435 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.292 2.418 14.556 1.00 0.00 H new ATOM 755 N VAL A 53 -2.268 3.569 11.986 1.00 0.00 N ATOM 756 CA VAL A 53 -2.315 4.807 11.217 1.00 0.00 C ATOM 757 C VAL A 53 -2.853 5.957 12.061 1.00 0.00 C ATOM 758 O VAL A 53 -4.064 6.161 12.153 1.00 0.00 O ATOM 759 CB VAL A 53 -3.190 4.655 9.959 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.488 6.015 9.348 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.513 3.743 8.947 1.00 0.00 C ATOM 0 H VAL A 53 -3.128 3.353 12.491 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.292 5.030 10.913 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.137 4.199 10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.107 5.887 8.460 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.017 6.632 10.074 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.553 6.502 9.071 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.145 3.647 8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.551 4.168 8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.357 2.760 9.391 1.00 0.00 H new ATOM 771 N LEU A 54 -1.945 6.708 12.676 1.00 0.00 N ATOM 772 CA LEU A 54 -2.328 7.839 13.513 1.00 0.00 C ATOM 773 C LEU A 54 -3.584 8.515 12.974 1.00 0.00 C ATOM 774 O LEU A 54 -3.632 8.972 11.831 1.00 0.00 O ATOM 775 CB LEU A 54 -1.184 8.852 13.590 1.00 0.00 C ATOM 776 CG LEU A 54 -1.052 9.617 14.908 1.00 0.00 C ATOM 777 CD1 LEU A 54 -0.388 8.749 15.965 1.00 0.00 C ATOM 778 CD2 LEU A 54 -0.267 10.904 14.701 1.00 0.00 C ATOM 0 H LEU A 54 -0.939 6.554 12.610 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.541 7.463 14.514 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.247 8.327 13.402 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.311 9.575 12.784 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.051 9.877 15.257 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.303 9.310 16.896 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.990 7.856 16.134 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.606 8.457 15.625 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.183 11.435 15.649 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.729 10.666 14.328 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.784 11.533 13.977 1.00 0.00 H new ATOM 790 N PRO A 55 -4.628 8.583 13.814 1.00 0.00 N ATOM 791 CA PRO A 55 -5.903 9.204 13.444 1.00 0.00 C ATOM 792 C PRO A 55 -5.792 10.718 13.305 1.00 0.00 C ATOM 793 O PRO A 55 -6.721 11.379 12.845 1.00 0.00 O ATOM 794 CB PRO A 55 -6.825 8.841 14.611 1.00 0.00 C ATOM 795 CG PRO A 55 -5.909 8.628 15.766 1.00 0.00 C ATOM 796 CD PRO A 55 -4.642 8.059 15.190 1.00 0.00 C ATOM 0 HA PRO A 55 -6.260 8.855 12.475 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.539 9.639 14.814 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.404 7.943 14.394 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.714 9.565 16.288 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.349 7.945 16.492 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.765 8.381 15.752 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.648 6.969 15.205 1.00 0.00 H new ATOM 804 N GLY A 56 -4.646 11.262 13.706 1.00 0.00 N ATOM 805 CA GLY A 56 -4.435 12.695 13.617 1.00 0.00 C ATOM 806 C GLY A 56 -3.023 13.048 13.191 1.00 0.00 C ATOM 807 O GLY A 56 -2.541 14.147 13.463 1.00 0.00 O ATOM 0 H GLY A 56 -3.861 10.736 14.090 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.143 13.120 12.905 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.644 13.151 14.585 1.00 0.00 H new ATOM 811 N GLY A 57 -2.357 12.111 12.523 1.00 0.00 N ATOM 812 CA GLY A 57 -0.998 12.347 12.072 1.00 0.00 C ATOM 813 C GLY A 57 -0.911 12.543 10.571 1.00 0.00 C ATOM 814 O GLY A 57 -1.912 12.780 9.896 1.00 0.00 O ATOM 0 H GLY A 57 -2.734 11.193 12.286 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.600 13.229 12.574 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.371 11.504 12.362 1.00 0.00 H new ATOM 818 N PRO A 58 0.312 12.445 10.028 1.00 0.00 N ATOM 819 CA PRO A 58 0.555 12.612 8.592 1.00 0.00 C ATOM 820 C PRO A 58 -0.009 11.457 7.771 1.00 0.00 C ATOM 821 O PRO A 58 -0.415 11.639 6.624 1.00 0.00 O ATOM 822 CB PRO A 58 2.082 12.643 8.492 1.00 0.00 C ATOM 823 CG PRO A 58 2.555 11.892 9.688 1.00 0.00 C ATOM 824 CD PRO A 58 1.550 12.165 10.773 1.00 0.00 C ATOM 0 HA PRO A 58 0.070 13.505 8.198 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.428 12.177 7.569 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.458 13.666 8.493 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.621 10.825 9.477 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.550 12.221 9.987 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.434 11.309 11.438 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.847 13.012 11.392 1.00 0.00 H new ATOM 832 N ALA A 59 -0.031 10.269 8.366 1.00 0.00 N ATOM 833 CA ALA A 59 -0.548 9.086 7.690 1.00 0.00 C ATOM 834 C ALA A 59 -2.051 8.943 7.905 1.00 0.00 C ATOM 835 O ALA A 59 -2.652 7.943 7.513 1.00 0.00 O ATOM 836 CB ALA A 59 0.177 7.840 8.178 1.00 0.00 C ATOM 0 H ALA A 59 0.303 10.100 9.315 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.370 9.202 6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.219 6.964 7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.242 7.933 7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.028 7.729 9.252 1.00 0.00 H new ATOM 842 N ASP A 60 -2.652 9.949 8.531 1.00 0.00 N ATOM 843 CA ASP A 60 -4.086 9.936 8.797 1.00 0.00 C ATOM 844 C ASP A 60 -4.874 10.338 7.555 1.00 0.00 C ATOM 845 O ASP A 60 -5.828 11.110 7.635 1.00 0.00 O ATOM 846 CB ASP A 60 -4.420 10.878 9.955 1.00 0.00 C ATOM 847 CG ASP A 60 -4.594 12.314 9.501 1.00 0.00 C ATOM 848 OD1 ASP A 60 -4.056 12.668 8.431 1.00 0.00 O ATOM 849 OD2 ASP A 60 -5.269 13.084 10.216 1.00 0.00 O ATOM 0 H ASP A 60 -2.169 10.783 8.864 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.370 8.920 9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.335 10.540 10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.626 10.829 10.700 1.00 0.00 H new ATOM 854 N GLY A 61 -4.466 9.810 6.405 1.00 0.00 N ATOM 855 CA GLY A 61 -5.144 10.127 5.161 1.00 0.00 C ATOM 856 C GLY A 61 -4.353 9.693 3.943 1.00 0.00 C ATOM 857 O GLY A 61 -4.928 9.393 2.895 1.00 0.00 O ATOM 0 H GLY A 61 -3.678 9.169 6.312 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.120 9.641 5.149 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.322 11.201 5.111 1.00 0.00 H new ATOM 861 N LEU A 62 -3.032 9.659 4.078 1.00 0.00 N ATOM 862 CA LEU A 62 -2.160 9.259 2.979 1.00 0.00 C ATOM 863 C LEU A 62 -2.096 7.740 2.860 1.00 0.00 C ATOM 864 O LEU A 62 -2.207 7.186 1.765 1.00 0.00 O ATOM 865 CB LEU A 62 -0.755 9.826 3.184 1.00 0.00 C ATOM 866 CG LEU A 62 -0.638 11.351 3.173 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.721 11.786 3.697 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.869 11.893 1.770 1.00 0.00 C ATOM 0 H LEU A 62 -2.541 9.904 4.938 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.575 9.660 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.372 9.459 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.106 9.426 2.405 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.405 11.760 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.786 12.874 3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.848 11.429 4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.505 11.367 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.782 12.979 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.125 11.476 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.866 11.612 1.431 1.00 0.00 H new ATOM 880 N LEU A 63 -1.917 7.070 3.993 1.00 0.00 N ATOM 881 CA LEU A 63 -1.840 5.614 4.017 1.00 0.00 C ATOM 882 C LEU A 63 -3.070 5.014 4.691 1.00 0.00 C ATOM 883 O LEU A 63 -3.887 5.734 5.264 1.00 0.00 O ATOM 884 CB LEU A 63 -0.573 5.162 4.747 1.00 0.00 C ATOM 885 CG LEU A 63 0.711 5.151 3.918 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.923 4.940 4.813 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.644 4.074 2.845 1.00 0.00 C ATOM 0 H LEU A 63 -1.822 7.512 4.907 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.804 5.260 2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.421 5.814 5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.740 4.157 5.135 1.00 0.00 H new ATOM 0 HG LEU A 63 0.812 6.119 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.828 4.935 4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.981 5.747 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.830 3.986 5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.567 4.081 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.519 3.099 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.201 4.270 2.185 1.00 0.00 H new ATOM 899 N GLN A 64 -3.192 3.693 4.620 1.00 0.00 N ATOM 900 CA GLN A 64 -4.322 2.997 5.225 1.00 0.00 C ATOM 901 C GLN A 64 -3.854 1.766 5.995 1.00 0.00 C ATOM 902 O GLN A 64 -2.698 1.358 5.888 1.00 0.00 O ATOM 903 CB GLN A 64 -5.331 2.588 4.150 1.00 0.00 C ATOM 904 CG GLN A 64 -5.058 1.218 3.550 1.00 0.00 C ATOM 905 CD GLN A 64 -6.088 0.820 2.511 1.00 0.00 C ATOM 906 OE1 GLN A 64 -6.982 1.599 2.176 1.00 0.00 O ATOM 907 NE2 GLN A 64 -5.970 -0.397 1.995 1.00 0.00 N ATOM 0 H GLN A 64 -2.523 3.083 4.150 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.804 3.679 5.925 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.332 2.594 4.582 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.323 3.332 3.354 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.068 1.216 3.094 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.044 0.473 4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.214 -1.010 2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.635 -0.720 1.292 1.00 0.00 H new ATOM 916 N GLU A 65 -4.761 1.180 6.771 1.00 0.00 N ATOM 917 CA GLU A 65 -4.439 -0.003 7.560 1.00 0.00 C ATOM 918 C GLU A 65 -4.435 -1.254 6.687 1.00 0.00 C ATOM 919 O GLU A 65 -5.174 -1.343 5.707 1.00 0.00 O ATOM 920 CB GLU A 65 -5.443 -0.169 8.703 1.00 0.00 C ATOM 921 CG GLU A 65 -4.842 -0.785 9.956 1.00 0.00 C ATOM 922 CD GLU A 65 -5.851 -1.590 10.752 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.923 -1.041 11.079 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.567 -2.770 11.047 1.00 0.00 O ATOM 0 H GLU A 65 -5.723 1.505 6.870 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.441 0.131 7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.861 0.806 8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.269 -0.793 8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.009 -1.429 9.676 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.435 0.006 10.586 1.00 0.00 H new ATOM 931 N ASN A 66 -3.596 -2.219 7.049 1.00 0.00 N ATOM 932 CA ASN A 66 -3.494 -3.465 6.299 1.00 0.00 C ATOM 933 C ASN A 66 -3.012 -3.205 4.875 1.00 0.00 C ATOM 934 O ASN A 66 -3.374 -3.926 3.945 1.00 0.00 O ATOM 935 CB ASN A 66 -4.846 -4.180 6.270 1.00 0.00 C ATOM 936 CG ASN A 66 -5.121 -4.951 7.546 1.00 0.00 C ATOM 937 OD1 ASN A 66 -4.829 -6.143 7.640 1.00 0.00 O ATOM 938 ND2 ASN A 66 -5.685 -4.271 8.538 1.00 0.00 N ATOM 0 H ASN A 66 -2.977 -2.162 7.857 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.765 -4.102 6.799 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.638 -3.447 6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.874 -4.865 5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.893 -4.736 9.422 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.910 -3.284 8.416 1.00 0.00 H new ATOM 945 N ASP A 67 -2.195 -2.170 4.712 1.00 0.00 N ATOM 946 CA ASP A 67 -1.663 -1.815 3.402 1.00 0.00 C ATOM 947 C ASP A 67 -0.330 -2.514 3.149 1.00 0.00 C ATOM 948 O ASP A 67 0.650 -2.276 3.855 1.00 0.00 O ATOM 949 CB ASP A 67 -1.487 -0.300 3.293 1.00 0.00 C ATOM 950 CG ASP A 67 -1.701 0.208 1.881 1.00 0.00 C ATOM 951 OD1 ASP A 67 -1.605 -0.604 0.938 1.00 0.00 O ATOM 952 OD2 ASP A 67 -1.963 1.419 1.719 1.00 0.00 O ATOM 0 H ASP A 67 -1.887 -1.562 5.471 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.375 -2.146 2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.190 0.194 3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.485 -0.029 3.626 1.00 0.00 H new ATOM 957 N ARG A 68 -0.303 -3.377 2.139 1.00 0.00 N ATOM 958 CA ARG A 68 0.908 -4.112 1.795 1.00 0.00 C ATOM 959 C ARG A 68 1.994 -3.166 1.292 1.00 0.00 C ATOM 960 O ARG A 68 1.888 -2.608 0.199 1.00 0.00 O ATOM 961 CB ARG A 68 0.604 -5.169 0.731 1.00 0.00 C ATOM 962 CG ARG A 68 -0.645 -5.984 1.023 1.00 0.00 C ATOM 963 CD ARG A 68 -0.318 -7.241 1.814 1.00 0.00 C ATOM 964 NE ARG A 68 -1.407 -8.212 1.774 1.00 0.00 N ATOM 965 CZ ARG A 68 -1.607 -9.052 0.764 1.00 0.00 C ATOM 966 NH1 ARG A 68 -0.794 -9.039 -0.283 1.00 0.00 N ATOM 967 NH2 ARG A 68 -2.621 -9.907 0.801 1.00 0.00 N ATOM 0 H ARG A 68 -1.106 -3.584 1.545 1.00 0.00 H new ATOM 0 HA ARG A 68 1.271 -4.607 2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.489 -4.678 -0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.456 -5.843 0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.355 -5.375 1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.129 -6.258 0.086 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.588 -7.696 1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.109 -6.973 2.850 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.050 -8.248 2.565 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.013 -8.383 -0.314 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.949 -9.685 -1.057 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.248 -9.920 1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.773 -10.551 0.025 1.00 0.00 H new ATOM 981 N VAL A 69 3.037 -2.989 2.096 1.00 0.00 N ATOM 982 CA VAL A 69 4.143 -2.111 1.732 1.00 0.00 C ATOM 983 C VAL A 69 5.067 -2.781 0.722 1.00 0.00 C ATOM 984 O VAL A 69 5.535 -3.899 0.938 1.00 0.00 O ATOM 985 CB VAL A 69 4.964 -1.700 2.969 1.00 0.00 C ATOM 986 CG1 VAL A 69 6.110 -0.783 2.569 1.00 0.00 C ATOM 987 CG2 VAL A 69 4.071 -1.031 4.003 1.00 0.00 C ATOM 0 H VAL A 69 3.140 -3.442 3.004 1.00 0.00 H new ATOM 0 HA VAL A 69 3.705 -1.219 1.283 1.00 0.00 H new ATOM 0 HB VAL A 69 5.389 -2.599 3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.679 -0.503 3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.763 -1.302 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.710 0.114 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.668 -0.747 4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.615 -0.141 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.289 -1.725 4.312 1.00 0.00 H new ATOM 997 N VAL A 70 5.328 -2.089 -0.383 1.00 0.00 N ATOM 998 CA VAL A 70 6.198 -2.616 -1.428 1.00 0.00 C ATOM 999 C VAL A 70 7.578 -1.971 -1.370 1.00 0.00 C ATOM 1000 O VAL A 70 8.593 -2.661 -1.280 1.00 0.00 O ATOM 1001 CB VAL A 70 5.596 -2.389 -2.827 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.332 -3.221 -3.866 1.00 0.00 C ATOM 1003 CG2 VAL A 70 4.110 -2.715 -2.826 1.00 0.00 C ATOM 0 H VAL A 70 4.949 -1.162 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 70 6.293 -3.687 -1.251 1.00 0.00 H new ATOM 0 HB VAL A 70 5.714 -1.337 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.893 -3.048 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.384 -2.935 -3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.248 -4.278 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.700 -2.549 -3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.967 -3.758 -2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.597 -2.072 -2.111 1.00 0.00 H new ATOM 1013 N MET A 71 7.608 -0.644 -1.421 1.00 0.00 N ATOM 1014 CA MET A 71 8.864 0.095 -1.373 1.00 0.00 C ATOM 1015 C MET A 71 8.785 1.238 -0.366 1.00 0.00 C ATOM 1016 O MET A 71 7.702 1.744 -0.071 1.00 0.00 O ATOM 1017 CB MET A 71 9.213 0.642 -2.758 1.00 0.00 C ATOM 1018 CG MET A 71 10.376 1.621 -2.750 1.00 0.00 C ATOM 1019 SD MET A 71 11.242 1.683 -4.331 1.00 0.00 S ATOM 1020 CE MET A 71 12.219 0.185 -4.241 1.00 0.00 C ATOM 0 H MET A 71 6.777 -0.058 -1.496 1.00 0.00 H new ATOM 0 HA MET A 71 9.648 -0.592 -1.054 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.455 -0.191 -3.418 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.336 1.136 -3.176 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.006 2.616 -2.503 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.079 1.338 -1.966 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.278 0.437 -4.305 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.023 -0.321 -3.296 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.952 -0.474 -5.067 1.00 0.00 H new ATOM 1030 N VAL A 72 9.938 1.641 0.158 1.00 0.00 N ATOM 1031 CA VAL A 72 9.998 2.726 1.130 1.00 0.00 C ATOM 1032 C VAL A 72 11.270 3.549 0.957 1.00 0.00 C ATOM 1033 O VAL A 72 12.358 3.115 1.333 1.00 0.00 O ATOM 1034 CB VAL A 72 9.939 2.190 2.573 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.145 3.319 3.571 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.616 1.481 2.823 1.00 0.00 C ATOM 0 H VAL A 72 10.843 1.232 -0.074 1.00 0.00 H new ATOM 0 HA VAL A 72 9.131 3.361 0.950 1.00 0.00 H new ATOM 0 HB VAL A 72 10.744 1.468 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.100 2.921 4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.119 3.779 3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.364 4.068 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.591 1.108 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.794 2.180 2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.514 0.646 2.130 1.00 0.00 H new ATOM 1046 N ASN A 73 11.124 4.741 0.387 1.00 0.00 N ATOM 1047 CA ASN A 73 12.261 5.626 0.164 1.00 0.00 C ATOM 1048 C ASN A 73 13.282 4.977 -0.766 1.00 0.00 C ATOM 1049 O ASN A 73 14.467 5.302 -0.728 1.00 0.00 O ATOM 1050 CB ASN A 73 12.924 5.984 1.496 1.00 0.00 C ATOM 1051 CG ASN A 73 12.346 7.246 2.108 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.913 8.152 1.396 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.338 7.309 3.434 1.00 0.00 N ATOM 0 H ASN A 73 10.229 5.116 0.071 1.00 0.00 H new ATOM 0 HA ASN A 73 11.893 6.537 -0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.802 5.156 2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.995 6.116 1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.962 8.133 3.903 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.708 6.533 3.984 1.00 0.00 H new ATOM 1060 N GLY A 74 12.811 4.056 -1.602 1.00 0.00 N ATOM 1061 CA GLY A 74 13.695 3.375 -2.530 1.00 0.00 C ATOM 1062 C GLY A 74 14.238 2.077 -1.968 1.00 0.00 C ATOM 1063 O GLY A 74 15.318 1.627 -2.353 1.00 0.00 O ATOM 0 H GLY A 74 11.833 3.770 -1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.157 3.169 -3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.526 4.033 -2.784 1.00 0.00 H new ATOM 1067 N THR A 75 13.488 1.471 -1.052 1.00 0.00 N ATOM 1068 CA THR A 75 13.902 0.218 -0.433 1.00 0.00 C ATOM 1069 C THR A 75 12.790 -0.823 -0.505 1.00 0.00 C ATOM 1070 O THR A 75 11.646 -0.572 -0.127 1.00 0.00 O ATOM 1071 CB THR A 75 14.302 0.424 1.040 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.384 1.358 1.127 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.712 -0.895 1.679 1.00 0.00 C ATOM 0 H THR A 75 12.591 1.828 -0.723 1.00 0.00 H new ATOM 0 HA THR A 75 14.768 -0.139 -0.990 1.00 0.00 H new ATOM 0 HB THR A 75 13.439 0.817 1.577 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.150 2.072 1.757 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.990 -0.724 2.719 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.877 -1.595 1.637 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.563 -1.312 1.140 1.00 0.00 H new ATOM 1081 N PRO A 76 13.132 -2.022 -1.001 1.00 0.00 N ATOM 1082 CA PRO A 76 12.177 -3.126 -1.133 1.00 0.00 C ATOM 1083 C PRO A 76 11.760 -3.695 0.219 1.00 0.00 C ATOM 1084 O PRO A 76 12.593 -4.186 0.980 1.00 0.00 O ATOM 1085 CB PRO A 76 12.953 -4.172 -1.937 1.00 0.00 C ATOM 1086 CG PRO A 76 14.386 -3.881 -1.655 1.00 0.00 C ATOM 1087 CD PRO A 76 14.478 -2.391 -1.472 1.00 0.00 C ATOM 0 HA PRO A 76 11.248 -2.808 -1.607 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.687 -5.184 -1.631 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.735 -4.094 -3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.722 -4.405 -0.760 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.021 -4.213 -2.477 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.246 -2.122 -0.746 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.730 -1.886 -2.405 1.00 0.00 H new ATOM 1095 N MET A 77 10.465 -3.628 0.510 1.00 0.00 N ATOM 1096 CA MET A 77 9.937 -4.139 1.770 1.00 0.00 C ATOM 1097 C MET A 77 9.307 -5.514 1.577 1.00 0.00 C ATOM 1098 O MET A 77 8.626 -6.024 2.466 1.00 0.00 O ATOM 1099 CB MET A 77 8.905 -3.168 2.346 1.00 0.00 C ATOM 1100 CG MET A 77 9.347 -1.714 2.304 1.00 0.00 C ATOM 1101 SD MET A 77 10.279 -1.229 3.769 1.00 0.00 S ATOM 1102 CE MET A 77 11.953 -1.270 3.134 1.00 0.00 C ATOM 0 H MET A 77 9.762 -3.225 -0.109 1.00 0.00 H new ATOM 0 HA MET A 77 10.766 -4.234 2.471 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.972 -3.272 1.792 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.695 -3.445 3.379 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.960 -1.550 1.418 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.470 -1.074 2.208 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.657 -1.133 3.955 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.137 -2.232 2.655 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.085 -0.471 2.405 1.00 0.00 H new ATOM 1112 N GLU A 78 9.540 -6.109 0.411 1.00 0.00 N ATOM 1113 CA GLU A 78 8.993 -7.425 0.103 1.00 0.00 C ATOM 1114 C GLU A 78 9.932 -8.530 0.581 1.00 0.00 C ATOM 1115 O GLU A 78 11.093 -8.590 0.177 1.00 0.00 O ATOM 1116 CB GLU A 78 8.751 -7.563 -1.401 1.00 0.00 C ATOM 1117 CG GLU A 78 9.962 -7.207 -2.248 1.00 0.00 C ATOM 1118 CD GLU A 78 9.867 -7.751 -3.660 1.00 0.00 C ATOM 1119 OE1 GLU A 78 9.999 -8.980 -3.833 1.00 0.00 O ATOM 1120 OE2 GLU A 78 9.661 -6.946 -4.592 1.00 0.00 O ATOM 0 H GLU A 78 10.103 -5.701 -0.335 1.00 0.00 H new ATOM 0 HA GLU A 78 8.043 -7.526 0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.454 -8.589 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.917 -6.922 -1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.067 -6.123 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.861 -7.598 -1.772 1.00 0.00 H new ATOM 1127 N ASP A 79 9.420 -9.400 1.444 1.00 0.00 N ATOM 1128 CA ASP A 79 10.211 -10.503 1.977 1.00 0.00 C ATOM 1129 C ASP A 79 11.332 -9.985 2.873 1.00 0.00 C ATOM 1130 O ASP A 79 12.475 -10.433 2.777 1.00 0.00 O ATOM 1131 CB ASP A 79 10.796 -11.338 0.837 1.00 0.00 C ATOM 1132 CG ASP A 79 10.969 -12.795 1.216 1.00 0.00 C ATOM 1133 OD1 ASP A 79 10.241 -13.265 2.115 1.00 0.00 O ATOM 1134 OD2 ASP A 79 11.834 -13.466 0.614 1.00 0.00 O ATOM 0 H ASP A 79 8.461 -9.363 1.789 1.00 0.00 H new ATOM 0 HA ASP A 79 9.553 -11.132 2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.143 -11.267 -0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.762 -10.924 0.546 1.00 0.00 H new ATOM 1139 N VAL A 80 10.997 -9.037 3.742 1.00 0.00 N ATOM 1140 CA VAL A 80 11.976 -8.457 4.655 1.00 0.00 C ATOM 1141 C VAL A 80 11.552 -8.645 6.107 1.00 0.00 C ATOM 1142 O VAL A 80 10.439 -9.092 6.388 1.00 0.00 O ATOM 1143 CB VAL A 80 12.177 -6.954 4.381 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.556 -6.722 2.927 1.00 0.00 C ATOM 1145 CG2 VAL A 80 10.922 -6.175 4.744 1.00 0.00 C ATOM 0 H VAL A 80 10.056 -8.654 3.833 1.00 0.00 H new ATOM 0 HA VAL A 80 12.917 -8.979 4.484 1.00 0.00 H new ATOM 0 HB VAL A 80 12.994 -6.594 5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.694 -5.655 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.484 -7.249 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.762 -7.096 2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.081 -5.115 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.085 -6.535 4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.700 -6.316 5.802 1.00 0.00 H new ATOM 1155 N LEU A 81 12.446 -8.303 7.027 1.00 0.00 N ATOM 1156 CA LEU A 81 12.166 -8.433 8.453 1.00 0.00 C ATOM 1157 C LEU A 81 11.395 -7.223 8.969 1.00 0.00 C ATOM 1158 O LEU A 81 11.675 -6.086 8.589 1.00 0.00 O ATOM 1159 CB LEU A 81 13.469 -8.594 9.237 1.00 0.00 C ATOM 1160 CG LEU A 81 14.226 -9.905 9.019 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.422 -9.993 9.954 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.300 -11.095 9.221 1.00 0.00 C ATOM 0 H LEU A 81 13.372 -7.933 6.811 1.00 0.00 H new ATOM 0 HA LEU A 81 11.551 -9.321 8.597 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.131 -7.768 8.977 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.244 -8.500 10.299 1.00 0.00 H new ATOM 0 HG LEU A 81 14.592 -9.925 7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.948 -10.932 9.784 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.097 -9.159 9.761 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.079 -9.951 10.988 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.855 -12.019 9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.904 -11.080 10.236 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.476 -11.040 8.510 1.00 0.00 H new ATOM 1174 N HIS A 82 10.422 -7.475 9.840 1.00 0.00 N ATOM 1175 CA HIS A 82 9.612 -6.405 10.412 1.00 0.00 C ATOM 1176 C HIS A 82 10.489 -5.240 10.862 1.00 0.00 C ATOM 1177 O HIS A 82 10.078 -4.082 10.804 1.00 0.00 O ATOM 1178 CB HIS A 82 8.795 -6.930 11.593 1.00 0.00 C ATOM 1179 CG HIS A 82 8.440 -5.873 12.593 1.00 0.00 C ATOM 1180 ND1 HIS A 82 9.217 -5.155 13.436 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.146 -5.449 12.811 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 8.388 -4.318 14.141 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 7.144 -4.514 13.745 1.00 0.00 N flip ATOM 0 H HIS A 82 10.176 -8.410 10.165 1.00 0.00 H new ATOM 0 HA HIS A 82 8.931 -6.047 9.640 1.00 0.00 H new ATOM 0 HB2 HIS A 82 7.879 -7.385 11.217 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.359 -7.717 12.093 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.272 -5.822 12.299 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.703 -3.614 14.897 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.321 -4.027 14.100 1.00 0.00 H new ATOM 1192 N SER A 83 11.699 -5.557 11.312 1.00 0.00 N ATOM 1193 CA SER A 83 12.633 -4.537 11.777 1.00 0.00 C ATOM 1194 C SER A 83 13.218 -3.760 10.602 1.00 0.00 C ATOM 1195 O SER A 83 13.437 -2.552 10.689 1.00 0.00 O ATOM 1196 CB SER A 83 13.759 -5.179 12.590 1.00 0.00 C ATOM 1197 OG SER A 83 13.247 -5.851 13.728 1.00 0.00 O ATOM 0 H SER A 83 12.056 -6.511 11.365 1.00 0.00 H new ATOM 0 HA SER A 83 12.086 -3.842 12.414 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.308 -5.883 11.964 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.467 -4.413 12.904 1.00 0.00 H new ATOM 0 HG SER A 83 13.986 -6.254 14.230 1.00 0.00 H new ATOM 1203 N PHE A 84 13.469 -4.463 9.502 1.00 0.00 N ATOM 1204 CA PHE A 84 14.030 -3.840 8.309 1.00 0.00 C ATOM 1205 C PHE A 84 13.040 -2.855 7.693 1.00 0.00 C ATOM 1206 O PHE A 84 13.421 -1.774 7.246 1.00 0.00 O ATOM 1207 CB PHE A 84 14.409 -4.909 7.281 1.00 0.00 C ATOM 1208 CG PHE A 84 14.943 -4.342 5.997 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.282 -4.007 5.875 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.106 -4.143 4.911 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.777 -3.486 4.694 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.594 -3.623 3.728 1.00 0.00 C ATOM 1213 CZ PHE A 84 15.931 -3.293 3.620 1.00 0.00 C ATOM 0 H PHE A 84 13.293 -5.464 9.412 1.00 0.00 H new ATOM 0 HA PHE A 84 14.926 -3.292 8.602 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.158 -5.571 7.716 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.532 -5.519 7.063 1.00 0.00 H new ATOM 0 HD1 PHE A 84 16.947 -4.155 6.713 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.059 -4.398 4.990 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.823 -3.231 4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.931 -3.475 2.888 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.314 -2.885 2.697 1.00 0.00 H new ATOM 1223 N ALA A 85 11.768 -3.239 7.673 1.00 0.00 N ATOM 1224 CA ALA A 85 10.723 -2.390 7.114 1.00 0.00 C ATOM 1225 C ALA A 85 10.641 -1.060 7.855 1.00 0.00 C ATOM 1226 O ALA A 85 10.648 0.007 7.239 1.00 0.00 O ATOM 1227 CB ALA A 85 9.381 -3.105 7.160 1.00 0.00 C ATOM 0 H ALA A 85 11.436 -4.132 8.037 1.00 0.00 H new ATOM 0 HA ALA A 85 10.976 -2.182 6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.610 -2.459 6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.439 -4.026 6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.131 -3.343 8.194 1.00 0.00 H new ATOM 1233 N VAL A 86 10.563 -1.129 9.180 1.00 0.00 N ATOM 1234 CA VAL A 86 10.481 0.070 10.005 1.00 0.00 C ATOM 1235 C VAL A 86 11.729 0.931 9.850 1.00 0.00 C ATOM 1236 O VAL A 86 11.642 2.155 9.757 1.00 0.00 O ATOM 1237 CB VAL A 86 10.297 -0.284 11.493 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.316 -1.328 11.924 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.404 0.965 12.354 1.00 0.00 C ATOM 0 H VAL A 86 10.555 -2.003 9.705 1.00 0.00 H new ATOM 0 HA VAL A 86 9.612 0.631 9.662 1.00 0.00 H new ATOM 0 HB VAL A 86 9.301 -0.707 11.628 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.170 -1.565 12.978 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.186 -2.231 11.327 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.323 -0.937 11.776 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.272 0.697 13.402 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.386 1.419 12.217 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.632 1.676 12.061 1.00 0.00 H new ATOM 1249 N GLN A 87 12.889 0.282 9.822 1.00 0.00 N ATOM 1250 CA GLN A 87 14.156 0.990 9.678 1.00 0.00 C ATOM 1251 C GLN A 87 14.005 2.192 8.752 1.00 0.00 C ATOM 1252 O GLN A 87 14.175 3.336 9.173 1.00 0.00 O ATOM 1253 CB GLN A 87 15.232 0.047 9.138 1.00 0.00 C ATOM 1254 CG GLN A 87 16.639 0.408 9.587 1.00 0.00 C ATOM 1255 CD GLN A 87 17.045 -0.306 10.862 1.00 0.00 C ATOM 1256 OE1 GLN A 87 17.434 0.327 11.844 1.00 0.00 O ATOM 1257 NE2 GLN A 87 16.958 -1.631 10.852 1.00 0.00 N ATOM 0 H GLN A 87 12.978 -0.731 9.897 1.00 0.00 H new ATOM 0 HA GLN A 87 14.458 1.348 10.662 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.007 -0.970 9.460 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.195 0.052 8.049 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.345 0.158 8.795 1.00 0.00 H new ATOM 0 HG3 GLN A 87 16.702 1.485 9.742 1.00 0.00 H new ATOM 0 HE21 GLN A 87 16.630 -2.114 10.016 1.00 0.00 H new ATOM 0 HE22 GLN A 87 17.219 -2.165 11.681 1.00 0.00 H new ATOM 1266 N GLN A 88 13.687 1.925 7.489 1.00 0.00 N ATOM 1267 CA GLN A 88 13.515 2.986 6.504 1.00 0.00 C ATOM 1268 C GLN A 88 12.845 4.205 7.128 1.00 0.00 C ATOM 1269 O GLN A 88 13.200 5.345 6.826 1.00 0.00 O ATOM 1270 CB GLN A 88 12.686 2.482 5.321 1.00 0.00 C ATOM 1271 CG GLN A 88 13.256 1.234 4.666 1.00 0.00 C ATOM 1272 CD GLN A 88 14.632 1.462 4.074 1.00 0.00 C ATOM 1273 OE1 GLN A 88 14.875 2.468 3.406 1.00 0.00 O ATOM 1274 NE2 GLN A 88 15.543 0.526 4.315 1.00 0.00 N ATOM 0 H GLN A 88 13.543 0.983 7.124 1.00 0.00 H new ATOM 0 HA GLN A 88 14.502 3.281 6.148 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.672 2.273 5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.614 3.273 4.575 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.310 0.434 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.578 0.898 3.881 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.299 -0.292 4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.487 0.625 3.941 1.00 0.00 H new ATOM 1283 N LEU A 89 11.872 3.958 7.999 1.00 0.00 N ATOM 1284 CA LEU A 89 11.151 5.036 8.666 1.00 0.00 C ATOM 1285 C LEU A 89 12.095 5.878 9.518 1.00 0.00 C ATOM 1286 O LEU A 89 12.185 7.093 9.347 1.00 0.00 O ATOM 1287 CB LEU A 89 10.032 4.464 9.538 1.00 0.00 C ATOM 1288 CG LEU A 89 9.092 3.469 8.856 1.00 0.00 C ATOM 1289 CD1 LEU A 89 7.888 3.180 9.740 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.646 3.999 7.501 1.00 0.00 C ATOM 0 H LEU A 89 11.565 3.021 8.259 1.00 0.00 H new ATOM 0 HA LEU A 89 10.715 5.677 7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.485 3.973 10.400 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.436 5.293 9.920 1.00 0.00 H new ATOM 0 HG LEU A 89 9.634 2.536 8.698 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.230 2.470 9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.225 2.757 10.686 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.345 4.106 9.930 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.978 3.278 7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.122 4.945 7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.518 4.154 6.866 1.00 0.00 H new ATOM 1302 N ARG A 90 12.799 5.222 10.436 1.00 0.00 N ATOM 1303 CA ARG A 90 13.738 5.910 11.314 1.00 0.00 C ATOM 1304 C ARG A 90 14.843 6.585 10.507 1.00 0.00 C ATOM 1305 O ARG A 90 15.254 7.705 10.812 1.00 0.00 O ATOM 1306 CB ARG A 90 14.350 4.925 12.312 1.00 0.00 C ATOM 1307 CG ARG A 90 14.751 3.597 11.690 1.00 0.00 C ATOM 1308 CD ARG A 90 15.434 2.691 12.702 1.00 0.00 C ATOM 1309 NE ARG A 90 16.400 3.417 13.523 1.00 0.00 N ATOM 1310 CZ ARG A 90 17.631 3.711 13.121 1.00 0.00 C ATOM 1311 NH1 ARG A 90 18.045 3.343 11.917 1.00 0.00 N ATOM 1312 NH2 ARG A 90 18.452 4.375 13.925 1.00 0.00 N ATOM 0 H ARG A 90 12.737 4.216 10.591 1.00 0.00 H new ATOM 0 HA ARG A 90 13.190 6.678 11.860 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.228 5.382 12.769 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.634 4.740 13.113 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.867 3.099 11.292 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.421 3.776 10.849 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.682 2.235 13.346 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.940 1.880 12.179 1.00 0.00 H new ATOM 0 HE ARG A 90 16.113 3.714 14.456 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.417 2.832 11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.991 3.571 11.611 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.138 4.660 14.853 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.397 4.600 13.615 1.00 0.00 H new ATOM 1326 N LYS A 91 15.320 5.897 9.475 1.00 0.00 N ATOM 1327 CA LYS A 91 16.376 6.430 8.623 1.00 0.00 C ATOM 1328 C LYS A 91 15.949 7.748 7.985 1.00 0.00 C ATOM 1329 O LYS A 91 16.563 8.789 8.218 1.00 0.00 O ATOM 1330 CB LYS A 91 16.739 5.418 7.533 1.00 0.00 C ATOM 1331 CG LYS A 91 16.644 3.973 7.989 1.00 0.00 C ATOM 1332 CD LYS A 91 17.723 3.114 7.351 1.00 0.00 C ATOM 1333 CE LYS A 91 17.748 3.281 5.839 1.00 0.00 C ATOM 1334 NZ LYS A 91 18.640 4.397 5.419 1.00 0.00 N ATOM 0 H LYS A 91 14.992 4.969 9.209 1.00 0.00 H new ATOM 0 HA LYS A 91 17.251 6.615 9.246 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.079 5.565 6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.754 5.616 7.189 1.00 0.00 H new ATOM 0 HG2 LYS A 91 16.735 3.926 9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 91 15.662 3.574 7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.695 3.383 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.550 2.067 7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.085 2.353 5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.737 3.468 5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.178 4.113 4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.066 5.236 5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.300 4.623 6.190 1.00 0.00 H new ATOM 1348 N SER A 92 14.891 7.696 7.182 1.00 0.00 N ATOM 1349 CA SER A 92 14.383 8.886 6.509 1.00 0.00 C ATOM 1350 C SER A 92 14.479 10.107 7.419 1.00 0.00 C ATOM 1351 O SER A 92 14.183 10.032 8.611 1.00 0.00 O ATOM 1352 CB SER A 92 12.932 8.672 6.076 1.00 0.00 C ATOM 1353 OG SER A 92 12.605 9.490 4.965 1.00 0.00 O ATOM 0 H SER A 92 14.369 6.843 6.982 1.00 0.00 H new ATOM 0 HA SER A 92 14.996 9.064 5.625 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.777 7.624 5.818 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.264 8.898 6.907 1.00 0.00 H new ATOM 0 HG SER A 92 12.021 10.220 5.257 1.00 0.00 H new ATOM 1359 N GLY A 93 14.895 11.233 6.847 1.00 0.00 N ATOM 1360 CA GLY A 93 15.024 12.454 7.620 1.00 0.00 C ATOM 1361 C GLY A 93 13.687 12.972 8.113 1.00 0.00 C ATOM 1362 O GLY A 93 13.368 12.862 9.297 1.00 0.00 O ATOM 0 H GLY A 93 15.145 11.321 5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.677 12.273 8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.503 13.219 7.009 1.00 0.00 H new ATOM 1366 N LYS A 94 12.902 13.539 7.203 1.00 0.00 N ATOM 1367 CA LYS A 94 11.592 14.077 7.550 1.00 0.00 C ATOM 1368 C LYS A 94 10.533 13.616 6.553 1.00 0.00 C ATOM 1369 O LYS A 94 9.387 13.362 6.924 1.00 0.00 O ATOM 1370 CB LYS A 94 11.639 15.606 7.590 1.00 0.00 C ATOM 1371 CG LYS A 94 10.270 16.254 7.698 1.00 0.00 C ATOM 1372 CD LYS A 94 10.342 17.592 8.416 1.00 0.00 C ATOM 1373 CE LYS A 94 9.158 18.478 8.062 1.00 0.00 C ATOM 1374 NZ LYS A 94 9.311 19.096 6.715 1.00 0.00 N ATOM 0 H LYS A 94 13.151 13.638 6.219 1.00 0.00 H new ATOM 0 HA LYS A 94 11.324 13.702 8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.248 15.920 8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.134 15.970 6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.854 16.397 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.593 15.589 8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.366 17.427 9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.270 18.099 8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.242 17.888 8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.054 19.262 8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.536 19.770 6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.222 19.596 6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.282 18.354 5.987 1.00 0.00 H new ATOM 1388 N ILE A 95 10.925 13.509 5.288 1.00 0.00 N ATOM 1389 CA ILE A 95 10.010 13.076 4.239 1.00 0.00 C ATOM 1390 C ILE A 95 10.401 11.704 3.700 1.00 0.00 C ATOM 1391 O ILE A 95 11.571 11.446 3.422 1.00 0.00 O ATOM 1392 CB ILE A 95 9.974 14.082 3.073 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.673 15.489 3.594 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.938 13.660 2.042 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.423 15.565 4.442 1.00 0.00 C ATOM 0 H ILE A 95 11.870 13.716 4.965 1.00 0.00 H new ATOM 0 HA ILE A 95 9.019 13.018 4.689 1.00 0.00 H new ATOM 0 HB ILE A 95 10.952 14.095 2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.522 15.840 4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.569 16.167 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.924 14.380 1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.193 12.674 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.954 13.623 2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.272 16.591 4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.564 15.245 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.531 14.913 5.309 1.00 0.00 H new ATOM 1407 N ALA A 96 9.412 10.829 3.554 1.00 0.00 N ATOM 1408 CA ALA A 96 9.651 9.484 3.045 1.00 0.00 C ATOM 1409 C ALA A 96 8.662 9.132 1.939 1.00 0.00 C ATOM 1410 O ALA A 96 7.505 9.550 1.972 1.00 0.00 O ATOM 1411 CB ALA A 96 9.567 8.469 4.175 1.00 0.00 C ATOM 0 H ALA A 96 8.438 11.027 3.781 1.00 0.00 H new ATOM 0 HA ALA A 96 10.655 9.456 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.748 7.469 3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.318 8.702 4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.575 8.507 4.626 1.00 0.00 H new ATOM 1417 N ALA A 97 9.125 8.361 0.961 1.00 0.00 N ATOM 1418 CA ALA A 97 8.280 7.951 -0.154 1.00 0.00 C ATOM 1419 C ALA A 97 7.900 6.479 -0.043 1.00 0.00 C ATOM 1420 O ALA A 97 8.629 5.603 -0.510 1.00 0.00 O ATOM 1421 CB ALA A 97 8.984 8.218 -1.476 1.00 0.00 C ATOM 0 H ALA A 97 10.081 8.008 0.918 1.00 0.00 H new ATOM 0 HA ALA A 97 7.363 8.539 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.341 7.907 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.199 9.283 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.917 7.656 -1.511 1.00 0.00 H new ATOM 1427 N ILE A 98 6.756 6.213 0.578 1.00 0.00 N ATOM 1428 CA ILE A 98 6.280 4.846 0.750 1.00 0.00 C ATOM 1429 C ILE A 98 5.336 4.446 -0.379 1.00 0.00 C ATOM 1430 O ILE A 98 4.444 5.206 -0.755 1.00 0.00 O ATOM 1431 CB ILE A 98 5.555 4.667 2.097 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.518 4.925 3.258 1.00 0.00 C ATOM 1433 CG2 ILE A 98 4.959 3.270 2.197 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.917 4.641 4.616 1.00 0.00 C ATOM 0 H ILE A 98 6.141 6.926 0.970 1.00 0.00 H new ATOM 0 HA ILE A 98 7.159 4.202 0.731 1.00 0.00 H new ATOM 0 HB ILE A 98 4.743 5.392 2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.406 4.307 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.845 5.964 3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.450 3.159 3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.245 3.120 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.755 2.529 2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.656 4.846 5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.045 5.277 4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.616 3.595 4.669 1.00 0.00 H new ATOM 1446 N VAL A 99 5.539 3.247 -0.916 1.00 0.00 N ATOM 1447 CA VAL A 99 4.705 2.744 -2.001 1.00 0.00 C ATOM 1448 C VAL A 99 3.968 1.476 -1.585 1.00 0.00 C ATOM 1449 O VAL A 99 4.530 0.381 -1.614 1.00 0.00 O ATOM 1450 CB VAL A 99 5.540 2.450 -3.261 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.638 2.042 -4.416 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.384 3.659 -3.635 1.00 0.00 C ATOM 0 H VAL A 99 6.274 2.606 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 99 3.979 3.524 -2.230 1.00 0.00 H new ATOM 0 HB VAL A 99 6.212 1.619 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.246 1.838 -5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.081 1.145 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.940 2.850 -4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.968 3.433 -4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.733 4.510 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.057 3.901 -2.813 1.00 0.00 H new ATOM 1462 N VAL A 100 2.706 1.632 -1.198 1.00 0.00 N ATOM 1463 CA VAL A 100 1.890 0.498 -0.778 1.00 0.00 C ATOM 1464 C VAL A 100 0.952 0.052 -1.893 1.00 0.00 C ATOM 1465 O VAL A 100 0.900 0.667 -2.959 1.00 0.00 O ATOM 1466 CB VAL A 100 1.057 0.840 0.472 1.00 0.00 C ATOM 1467 CG1 VAL A 100 1.963 1.256 1.621 1.00 0.00 C ATOM 1468 CG2 VAL A 100 0.047 1.933 0.157 1.00 0.00 C ATOM 0 H VAL A 100 2.226 2.532 -1.166 1.00 0.00 H new ATOM 0 HA VAL A 100 2.576 -0.314 -0.539 1.00 0.00 H new ATOM 0 HB VAL A 100 0.510 -0.052 0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.356 1.494 2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.643 0.439 1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.540 2.134 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.532 2.162 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.572 2.829 -0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.623 1.593 -0.632 1.00 0.00 H new ATOM 1478 N LYS A 101 0.211 -1.022 -1.642 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.727 -1.552 -2.624 1.00 0.00 C ATOM 1480 C LYS A 101 -2.024 -1.994 -1.954 1.00 0.00 C ATOM 1481 O LYS A 101 -2.017 -2.860 -1.079 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.101 -2.729 -3.375 1.00 0.00 C ATOM 1483 CG LYS A 101 0.384 -3.843 -2.463 1.00 0.00 C ATOM 1484 CD LYS A 101 1.090 -4.937 -3.247 1.00 0.00 C ATOM 1485 CE LYS A 101 1.039 -6.269 -2.514 1.00 0.00 C ATOM 1486 NZ LYS A 101 1.861 -7.308 -3.194 1.00 0.00 N ATOM 0 H LYS A 101 0.242 -1.543 -0.766 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.958 -0.758 -3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.833 -3.135 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.738 -2.366 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.064 -3.433 -1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.463 -4.268 -1.924 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.625 -5.042 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.129 -4.653 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.395 -6.135 -1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.005 -6.609 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.800 -8.201 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.506 -7.454 -4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.852 -6.996 -3.233 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.135 -1.396 -2.370 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.439 -1.729 -1.810 1.00 0.00 C ATOM 1502 C ARG A 102 -5.302 -2.455 -2.837 1.00 0.00 C ATOM 1503 O ARG A 102 -5.387 -2.063 -4.001 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.151 -0.462 -1.333 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.279 0.443 -0.478 1.00 0.00 C ATOM 1506 CD ARG A 102 -4.867 1.840 -0.366 1.00 0.00 C ATOM 1507 NE ARG A 102 -3.833 2.858 -0.204 1.00 0.00 N ATOM 1508 CZ ARG A 102 -4.047 4.040 0.365 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -5.251 4.350 0.824 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -3.054 4.913 0.475 1.00 0.00 N ATOM 0 H ARG A 102 -3.158 -0.678 -3.094 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.283 -2.392 -0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.499 0.098 -2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.035 -0.746 -0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.171 0.012 0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.280 0.501 -0.910 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.454 2.059 -1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.550 1.879 0.483 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.895 2.651 -0.546 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.016 3.681 0.741 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.412 5.258 1.260 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.126 4.677 0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.218 5.820 0.912 1.00 0.00 H new ATOM 1524 N PRO A 103 -5.959 -3.539 -2.398 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.827 -4.343 -3.263 1.00 0.00 C ATOM 1526 C PRO A 103 -8.105 -3.605 -3.649 1.00 0.00 C ATOM 1527 O PRO A 103 -8.733 -2.955 -2.813 1.00 0.00 O ATOM 1528 CB PRO A 103 -7.155 -5.564 -2.401 1.00 0.00 C ATOM 1529 CG PRO A 103 -7.004 -5.088 -0.997 1.00 0.00 C ATOM 1530 CD PRO A 103 -5.904 -4.064 -1.023 1.00 0.00 C ATOM 0 HA PRO A 103 -6.344 -4.589 -4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.167 -5.922 -2.591 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.478 -6.392 -2.613 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.934 -4.653 -0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.753 -5.913 -0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.069 -3.278 -0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.934 -4.510 -0.802 1.00 0.00 H new