USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 561 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 74 MET CE :methyl -114:sc= -0.525 (180deg=-0.878) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot 153:sc= 1.21 USER MOD Set 2.2: A 68 GLN : amide:sc= -1.49 K(o=-0.28,f=0.63) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.348 USER MOD Single : A 17 ASN : amide:sc= 0.12 K(o=0.12,f=-0.57) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= -1.68 (180deg=-2.37!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 108:sc= 0.0258 USER MOD Single : A 28 ASN : amide:sc= -15.4! C(o=-15!,f=-13!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 46 GLN : amide:sc=-0.000514 X(o=-0.00051,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc=-0.00512 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -178:sc= -0.181 (180deg=-0.185) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.162 USER MOD Single : A 77 GLN : amide:sc= -7.46! C(o=-7.5!,f=-5!) USER MOD Single : A 83 THR OG1 : rot 5:sc= 0.198 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 98 ASN : amide:sc= -0.581 K(o=-0.58,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.742 -5.280 -2.072 1.00 0.00 N ATOM 91 CA VAL A 7 -14.687 -3.989 -1.404 1.00 0.00 C ATOM 92 C VAL A 7 -13.758 -2.963 -2.080 1.00 0.00 C ATOM 93 O VAL A 7 -14.248 -1.975 -2.626 1.00 0.00 O ATOM 94 CB VAL A 7 -14.318 -4.148 0.090 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.368 -3.485 0.955 1.00 0.00 C ATOM 96 CG2 VAL A 7 -14.178 -5.616 0.461 1.00 0.00 C ATOM 0 HA VAL A 7 -15.695 -3.583 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.357 -3.663 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.101 -3.602 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.424 -2.424 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.336 -3.951 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.918 -5.701 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.122 -6.129 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.393 -6.071 -0.144 1.00 0.00 H new ATOM 106 N PRO A 8 -12.413 -3.111 -2.008 1.00 0.00 N ATOM 107 CA PRO A 8 -11.484 -2.134 -2.559 1.00 0.00 C ATOM 108 C PRO A 8 -10.703 -2.609 -3.805 1.00 0.00 C ATOM 109 O PRO A 8 -11.293 -2.941 -4.833 1.00 0.00 O ATOM 110 CB PRO A 8 -10.568 -2.001 -1.352 1.00 0.00 C ATOM 111 CG PRO A 8 -10.384 -3.424 -0.913 1.00 0.00 C ATOM 112 CD PRO A 8 -11.646 -4.167 -1.331 1.00 0.00 C ATOM 0 HA PRO A 8 -11.962 -1.228 -2.931 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.619 -1.533 -1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.018 -1.391 -0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.502 -3.864 -1.379 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.238 -3.482 0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.426 -5.002 -1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.182 -4.575 -0.474 1.00 0.00 H new ATOM 120 N LEU A 9 -9.367 -2.603 -3.696 1.00 0.00 N ATOM 121 CA LEU A 9 -8.461 -2.986 -4.780 1.00 0.00 C ATOM 122 C LEU A 9 -8.689 -4.415 -5.263 1.00 0.00 C ATOM 123 O LEU A 9 -8.655 -5.366 -4.483 1.00 0.00 O ATOM 124 CB LEU A 9 -7.013 -2.845 -4.269 1.00 0.00 C ATOM 125 CG LEU A 9 -5.857 -3.006 -5.288 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.298 -3.698 -6.563 1.00 0.00 C ATOM 127 CD2 LEU A 9 -5.238 -1.660 -5.621 1.00 0.00 C ATOM 0 H LEU A 9 -8.883 -2.328 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.653 -2.330 -5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.917 -1.861 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.866 -3.582 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.110 -3.640 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.450 -3.785 -7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.676 -4.692 -6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.086 -3.115 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.429 -1.799 -6.338 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.997 -1.007 -6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.843 -1.206 -4.712 1.00 0.00 H new ATOM 139 N THR A 10 -8.860 -4.551 -6.577 1.00 0.00 N ATOM 140 CA THR A 10 -9.023 -5.850 -7.204 1.00 0.00 C ATOM 141 C THR A 10 -7.703 -6.266 -7.847 1.00 0.00 C ATOM 142 O THR A 10 -7.173 -5.558 -8.703 1.00 0.00 O ATOM 143 CB THR A 10 -10.115 -5.814 -8.268 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.383 -5.575 -7.686 1.00 0.00 O ATOM 145 CG2 THR A 10 -10.199 -7.098 -9.065 1.00 0.00 C ATOM 0 H THR A 10 -8.889 -3.766 -7.228 1.00 0.00 H new ATOM 0 HA THR A 10 -9.314 -6.569 -6.439 1.00 0.00 H new ATOM 0 HB THR A 10 -9.843 -5.001 -8.941 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.067 -5.555 -8.388 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.993 -7.014 -9.807 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.249 -7.276 -9.569 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.415 -7.929 -8.394 1.00 0.00 H new ATOM 153 N PHE A 11 -7.172 -7.404 -7.429 1.00 0.00 N ATOM 154 CA PHE A 11 -5.909 -7.896 -7.964 1.00 0.00 C ATOM 155 C PHE A 11 -6.139 -8.758 -9.203 1.00 0.00 C ATOM 156 O PHE A 11 -7.275 -8.946 -9.638 1.00 0.00 O ATOM 157 CB PHE A 11 -5.160 -8.684 -6.896 1.00 0.00 C ATOM 158 CG PHE A 11 -5.764 -10.007 -6.607 1.00 0.00 C ATOM 159 CD1 PHE A 11 -6.838 -10.127 -5.751 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.251 -11.131 -7.206 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.393 -11.364 -5.497 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.794 -12.366 -6.965 1.00 0.00 C ATOM 163 CZ PHE A 11 -6.869 -12.487 -6.109 1.00 0.00 C ATOM 0 H PHE A 11 -7.594 -8.005 -6.721 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.303 -7.039 -8.259 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.128 -8.826 -7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.130 -8.098 -5.977 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.247 -9.247 -5.277 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.409 -11.041 -7.876 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.232 -11.455 -4.824 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.382 -13.242 -7.444 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.301 -13.458 -5.917 1.00 0.00 H new ATOM 173 N THR A 12 -5.053 -9.270 -9.772 1.00 0.00 N ATOM 174 CA THR A 12 -5.143 -10.103 -10.972 1.00 0.00 C ATOM 175 C THR A 12 -5.465 -11.554 -10.615 1.00 0.00 C ATOM 176 O THR A 12 -5.923 -11.844 -9.520 1.00 0.00 O ATOM 177 CB THR A 12 -3.837 -10.031 -11.769 1.00 0.00 C ATOM 178 OG1 THR A 12 -4.043 -10.455 -13.108 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.726 -10.873 -11.177 1.00 0.00 C ATOM 0 H THR A 12 -4.104 -9.126 -9.426 1.00 0.00 H new ATOM 0 HA THR A 12 -5.956 -9.718 -11.588 1.00 0.00 H new ATOM 0 HB THR A 12 -3.531 -8.986 -11.732 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.198 -10.401 -13.602 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.830 -10.776 -11.790 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.511 -10.532 -10.164 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.036 -11.918 -11.150 1.00 0.00 H new ATOM 187 N ASP A 13 -5.221 -12.462 -11.550 1.00 0.00 N ATOM 188 CA ASP A 13 -5.479 -13.878 -11.326 1.00 0.00 C ATOM 189 C ASP A 13 -4.248 -14.571 -10.764 1.00 0.00 C ATOM 190 O ASP A 13 -4.343 -15.407 -9.872 1.00 0.00 O ATOM 191 CB ASP A 13 -5.893 -14.540 -12.631 1.00 0.00 C ATOM 192 CG ASP A 13 -7.145 -13.933 -13.229 1.00 0.00 C ATOM 193 OD1 ASP A 13 -7.464 -12.778 -12.879 1.00 0.00 O ATOM 194 OD2 ASP A 13 -7.807 -14.601 -14.041 1.00 0.00 O ATOM 0 H ASP A 13 -4.844 -12.243 -12.472 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.287 -13.970 -10.600 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.077 -14.458 -13.349 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.058 -15.603 -12.457 1.00 0.00 H new ATOM 199 N ALA A 14 -3.095 -14.219 -11.309 1.00 0.00 N ATOM 200 CA ALA A 14 -1.837 -14.809 -10.884 1.00 0.00 C ATOM 201 C ALA A 14 -1.559 -14.531 -9.415 1.00 0.00 C ATOM 202 O ALA A 14 -1.115 -15.407 -8.681 1.00 0.00 O ATOM 203 CB ALA A 14 -0.697 -14.296 -11.750 1.00 0.00 C ATOM 0 H ALA A 14 -3.005 -13.524 -12.050 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.915 -15.889 -11.005 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.240 -14.745 -11.422 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.882 -14.563 -12.791 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.631 -13.212 -11.659 1.00 0.00 H new ATOM 209 N ALA A 15 -1.837 -13.309 -8.968 1.00 0.00 N ATOM 210 CA ALA A 15 -1.626 -12.969 -7.569 1.00 0.00 C ATOM 211 C ALA A 15 -2.335 -13.998 -6.702 1.00 0.00 C ATOM 212 O ALA A 15 -1.856 -14.377 -5.632 1.00 0.00 O ATOM 213 CB ALA A 15 -2.107 -11.556 -7.275 1.00 0.00 C ATOM 0 H ALA A 15 -2.203 -12.551 -9.545 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.560 -12.990 -7.341 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.938 -11.326 -6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.556 -10.848 -7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.172 -11.480 -7.497 1.00 0.00 H new ATOM 219 N ALA A 16 -3.459 -14.490 -7.216 1.00 0.00 N ATOM 220 CA ALA A 16 -4.220 -15.526 -6.540 1.00 0.00 C ATOM 221 C ALA A 16 -3.460 -16.826 -6.631 1.00 0.00 C ATOM 222 O ALA A 16 -3.363 -17.596 -5.672 1.00 0.00 O ATOM 223 CB ALA A 16 -5.571 -15.701 -7.200 1.00 0.00 C ATOM 0 H ALA A 16 -3.861 -14.184 -8.102 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.366 -15.240 -5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.130 -16.481 -6.683 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.125 -14.763 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.432 -15.985 -8.243 1.00 0.00 H new ATOM 229 N ASN A 17 -2.930 -17.067 -7.825 1.00 0.00 N ATOM 230 CA ASN A 17 -2.173 -18.273 -8.118 1.00 0.00 C ATOM 231 C ASN A 17 -1.020 -18.451 -7.139 1.00 0.00 C ATOM 232 O ASN A 17 -0.863 -19.525 -6.551 1.00 0.00 O ATOM 233 CB ASN A 17 -1.630 -18.215 -9.546 1.00 0.00 C ATOM 234 CG ASN A 17 -2.668 -18.557 -10.593 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.504 -19.511 -11.362 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.743 -17.787 -10.633 1.00 0.00 N ATOM 0 H ASN A 17 -3.015 -16.429 -8.616 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.845 -19.125 -8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.243 -17.215 -9.740 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.791 -18.905 -9.637 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.477 -17.971 -11.317 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.838 -17.010 -9.979 1.00 0.00 H new ATOM 243 N LYS A 18 -0.208 -17.407 -6.967 1.00 0.00 N ATOM 244 CA LYS A 18 0.924 -17.480 -6.057 1.00 0.00 C ATOM 245 C LYS A 18 0.456 -17.888 -4.666 1.00 0.00 C ATOM 246 O LYS A 18 1.183 -18.551 -3.926 1.00 0.00 O ATOM 247 CB LYS A 18 1.674 -16.153 -6.021 1.00 0.00 C ATOM 248 CG LYS A 18 0.962 -15.057 -5.242 1.00 0.00 C ATOM 249 CD LYS A 18 1.842 -14.515 -4.129 1.00 0.00 C ATOM 250 CE LYS A 18 1.018 -13.896 -3.012 1.00 0.00 C ATOM 251 NZ LYS A 18 1.825 -13.692 -1.778 1.00 0.00 N ATOM 0 H LYS A 18 -0.315 -16.511 -7.443 1.00 0.00 H new ATOM 0 HA LYS A 18 1.616 -18.240 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.658 -16.316 -5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.835 -15.811 -7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.686 -14.248 -5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.037 -15.449 -4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.456 -15.320 -3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.524 -13.768 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.615 -12.940 -3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.168 -14.540 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.190 -13.546 -0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.417 -14.530 -1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.433 -12.857 -1.895 1.00 0.00 H new ATOM 265 N VAL A 19 -0.773 -17.509 -4.334 1.00 0.00 N ATOM 266 CA VAL A 19 -1.356 -17.846 -3.050 1.00 0.00 C ATOM 267 C VAL A 19 -1.823 -19.294 -3.040 1.00 0.00 C ATOM 268 O VAL A 19 -1.240 -20.134 -2.366 1.00 0.00 O ATOM 269 CB VAL A 19 -2.551 -16.925 -2.728 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.192 -17.303 -1.399 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.117 -15.469 -2.722 1.00 0.00 C ATOM 0 H VAL A 19 -1.384 -16.965 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.586 -17.707 -2.291 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.299 -17.057 -3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.031 -16.637 -1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.548 -18.332 -1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.456 -17.210 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.974 -14.835 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.345 -15.323 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.721 -15.203 -3.702 1.00 0.00 H new ATOM 281 N LYS A 20 -2.876 -19.564 -3.800 1.00 0.00 N ATOM 282 CA LYS A 20 -3.448 -20.906 -3.900 1.00 0.00 C ATOM 283 C LYS A 20 -2.410 -21.948 -4.296 1.00 0.00 C ATOM 284 O LYS A 20 -2.628 -23.147 -4.113 1.00 0.00 O ATOM 285 CB LYS A 20 -4.566 -20.918 -4.937 1.00 0.00 C ATOM 286 CG LYS A 20 -4.206 -20.183 -6.220 1.00 0.00 C ATOM 287 CD LYS A 20 -4.178 -21.127 -7.414 1.00 0.00 C ATOM 288 CE LYS A 20 -2.797 -21.724 -7.620 1.00 0.00 C ATOM 289 NZ LYS A 20 -2.752 -22.625 -8.811 1.00 0.00 N ATOM 0 H LYS A 20 -3.358 -18.864 -4.364 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.833 -21.162 -2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.818 -21.951 -5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.458 -20.464 -4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.929 -19.388 -6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.231 -19.708 -6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.903 -21.927 -7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.480 -20.588 -8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.069 -20.922 -7.744 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.507 -22.283 -6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.793 -23.012 -8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.428 -23.405 -8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.004 -22.086 -9.664 1.00 0.00 H new ATOM 303 N SER A 21 -1.307 -21.507 -4.879 1.00 0.00 N ATOM 304 CA SER A 21 -0.279 -22.424 -5.338 1.00 0.00 C ATOM 305 C SER A 21 0.726 -22.771 -4.247 1.00 0.00 C ATOM 306 O SER A 21 1.079 -23.935 -4.074 1.00 0.00 O ATOM 307 CB SER A 21 0.455 -21.846 -6.549 1.00 0.00 C ATOM 308 OG SER A 21 1.438 -22.737 -7.025 1.00 0.00 O ATOM 0 H SER A 21 -1.102 -20.522 -5.045 1.00 0.00 H new ATOM 0 HA SER A 21 -0.788 -23.345 -5.621 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.261 -21.633 -7.343 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.921 -20.899 -6.277 1.00 0.00 H new ATOM 0 HG SER A 21 1.890 -22.342 -7.800 1.00 0.00 H new ATOM 314 N LEU A 22 1.194 -21.766 -3.514 1.00 0.00 N ATOM 315 CA LEU A 22 2.168 -22.011 -2.461 1.00 0.00 C ATOM 316 C LEU A 22 1.472 -22.470 -1.189 1.00 0.00 C ATOM 317 O LEU A 22 2.061 -23.177 -0.371 1.00 0.00 O ATOM 318 CB LEU A 22 3.058 -20.767 -2.232 1.00 0.00 C ATOM 319 CG LEU A 22 2.750 -19.889 -1.011 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.375 -19.276 -1.140 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.881 -20.674 0.292 1.00 0.00 C ATOM 0 H LEU A 22 0.919 -20.790 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 22 2.831 -22.817 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.092 -21.103 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.995 -20.140 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 22 3.486 -19.086 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.170 -18.656 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.333 -18.662 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.629 -20.068 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.656 -20.020 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.182 -21.511 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.899 -21.052 0.388 1.00 0.00 H new ATOM 333 N ILE A 23 0.212 -22.084 -1.030 1.00 0.00 N ATOM 334 CA ILE A 23 -0.544 -22.471 0.139 1.00 0.00 C ATOM 335 C ILE A 23 -0.924 -23.941 0.040 1.00 0.00 C ATOM 336 O ILE A 23 -0.714 -24.710 0.965 1.00 0.00 O ATOM 337 CB ILE A 23 -1.800 -21.626 0.299 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.668 -21.717 -0.945 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.419 -20.175 0.568 1.00 0.00 C ATOM 340 CD1 ILE A 23 -3.777 -22.739 -0.837 1.00 0.00 C ATOM 0 H ILE A 23 -0.300 -21.506 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 23 0.084 -22.308 1.015 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.371 -22.008 1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.105 -20.739 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.039 -21.965 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.323 -19.576 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.829 -20.117 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.833 -19.792 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.355 -22.748 -1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.347 -23.726 -0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.430 -22.480 -0.004 1.00 0.00 H new ATOM 352 N SER A 24 -1.448 -24.320 -1.114 1.00 0.00 N ATOM 353 CA SER A 24 -1.812 -25.705 -1.355 1.00 0.00 C ATOM 354 C SER A 24 -0.582 -26.580 -1.174 1.00 0.00 C ATOM 355 O SER A 24 -0.683 -27.768 -0.871 1.00 0.00 O ATOM 356 CB SER A 24 -2.372 -25.866 -2.763 1.00 0.00 C ATOM 357 OG SER A 24 -3.773 -25.662 -2.786 1.00 0.00 O ATOM 0 H SER A 24 -1.630 -23.690 -1.895 1.00 0.00 H new ATOM 0 HA SER A 24 -2.581 -26.008 -0.645 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.888 -25.155 -3.433 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.141 -26.864 -3.136 1.00 0.00 H new ATOM 0 HG SER A 24 -3.972 -24.806 -3.220 1.00 0.00 H new ATOM 363 N GLU A 25 0.584 -25.960 -1.351 1.00 0.00 N ATOM 364 CA GLU A 25 1.846 -26.653 -1.206 1.00 0.00 C ATOM 365 C GLU A 25 2.224 -26.740 0.265 1.00 0.00 C ATOM 366 O GLU A 25 3.031 -27.585 0.658 1.00 0.00 O ATOM 367 CB GLU A 25 2.948 -25.939 -1.990 1.00 0.00 C ATOM 368 CG GLU A 25 3.827 -26.881 -2.794 1.00 0.00 C ATOM 369 CD GLU A 25 5.027 -27.375 -2.010 1.00 0.00 C ATOM 370 OE1 GLU A 25 6.009 -26.610 -1.898 1.00 0.00 O ATOM 371 OE2 GLU A 25 4.981 -28.514 -1.509 1.00 0.00 O ATOM 0 H GLU A 25 0.672 -24.974 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 25 1.736 -27.660 -1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.492 -25.215 -2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.572 -25.377 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.234 -27.736 -3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.171 -26.371 -3.694 1.00 0.00 H new ATOM 378 N GLU A 26 1.626 -25.874 1.090 1.00 0.00 N ATOM 379 CA GLU A 26 1.891 -25.870 2.510 1.00 0.00 C ATOM 380 C GLU A 26 1.098 -26.975 3.186 1.00 0.00 C ATOM 381 O GLU A 26 1.405 -27.378 4.317 1.00 0.00 O ATOM 382 CB GLU A 26 1.547 -24.521 3.120 1.00 0.00 C ATOM 383 CG GLU A 26 2.333 -23.366 2.527 1.00 0.00 C ATOM 384 CD GLU A 26 3.376 -22.815 3.469 1.00 0.00 C ATOM 385 OE1 GLU A 26 3.061 -22.648 4.668 1.00 0.00 O ATOM 386 OE2 GLU A 26 4.508 -22.547 3.015 1.00 0.00 O ATOM 0 H GLU A 26 0.955 -25.169 0.785 1.00 0.00 H new ATOM 0 HA GLU A 26 2.955 -26.049 2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.482 -24.332 2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.730 -24.560 4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.819 -23.698 1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.643 -22.568 2.251 1.00 0.00 H new ATOM 393 N GLU A 27 0.066 -27.448 2.494 1.00 0.00 N ATOM 394 CA GLU A 27 -0.801 -28.492 3.018 1.00 0.00 C ATOM 395 C GLU A 27 -1.840 -27.876 3.945 1.00 0.00 C ATOM 396 O GLU A 27 -2.564 -28.590 4.638 1.00 0.00 O ATOM 397 CB GLU A 27 0.001 -29.564 3.760 1.00 0.00 C ATOM 398 CG GLU A 27 -0.445 -30.988 3.443 1.00 0.00 C ATOM 399 CD GLU A 27 -1.114 -31.667 4.619 1.00 0.00 C ATOM 400 OE1 GLU A 27 -0.761 -31.334 5.773 1.00 0.00 O ATOM 401 OE2 GLU A 27 -1.989 -32.528 4.393 1.00 0.00 O ATOM 0 H GLU A 27 -0.189 -27.120 1.562 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.302 -28.975 2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.056 -29.457 3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.088 -29.395 4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.135 -30.969 2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.420 -31.575 3.134 1.00 0.00 H new ATOM 408 N ASN A 28 -1.925 -26.546 3.938 1.00 0.00 N ATOM 409 CA ASN A 28 -2.897 -25.857 4.780 1.00 0.00 C ATOM 410 C ASN A 28 -4.284 -26.364 4.459 1.00 0.00 C ATOM 411 O ASN A 28 -4.899 -27.070 5.255 1.00 0.00 O ATOM 412 CB ASN A 28 -2.869 -24.342 4.591 1.00 0.00 C ATOM 413 CG ASN A 28 -1.537 -23.798 4.138 1.00 0.00 C ATOM 414 OD1 ASN A 28 -0.561 -23.789 4.884 1.00 0.00 O ATOM 415 ND2 ASN A 28 -1.495 -23.361 2.887 1.00 0.00 N ATOM 0 H ASN A 28 -1.342 -25.934 3.368 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.632 -26.066 5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.629 -24.065 3.861 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.142 -23.865 5.532 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.623 -22.996 2.503 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.334 -23.390 2.308 1.00 0.00 H new ATOM 422 N THR A 29 -4.779 -25.967 3.287 1.00 0.00 N ATOM 423 CA THR A 29 -6.124 -26.365 2.848 1.00 0.00 C ATOM 424 C THR A 29 -6.679 -25.452 1.758 1.00 0.00 C ATOM 425 O THR A 29 -7.244 -25.926 0.770 1.00 0.00 O ATOM 426 CB THR A 29 -7.087 -26.328 4.038 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.427 -26.289 3.599 1.00 0.00 O ATOM 428 CG2 THR A 29 -6.854 -25.128 4.935 1.00 0.00 C ATOM 0 H THR A 29 -4.276 -25.375 2.626 1.00 0.00 H new ATOM 0 HA THR A 29 -6.037 -27.372 2.440 1.00 0.00 H new ATOM 0 HB THR A 29 -6.895 -27.238 4.607 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.025 -26.267 4.375 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.563 -25.150 5.763 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.837 -25.159 5.327 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.994 -24.212 4.361 1.00 0.00 H new ATOM 436 N ASP A 30 -6.547 -24.144 1.964 1.00 0.00 N ATOM 437 CA ASP A 30 -7.066 -23.152 1.026 1.00 0.00 C ATOM 438 C ASP A 30 -6.902 -21.780 1.643 1.00 0.00 C ATOM 439 O ASP A 30 -7.869 -21.124 2.036 1.00 0.00 O ATOM 440 CB ASP A 30 -8.541 -23.415 0.710 1.00 0.00 C ATOM 441 CG ASP A 30 -8.731 -24.091 -0.635 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.148 -23.607 -1.628 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.464 -25.102 -0.694 1.00 0.00 O ATOM 0 H ASP A 30 -6.081 -23.744 2.779 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.511 -23.214 0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.972 -24.040 1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.086 -22.471 0.720 1.00 0.00 H new ATOM 448 N LEU A 31 -5.653 -21.392 1.762 1.00 0.00 N ATOM 449 CA LEU A 31 -5.285 -20.137 2.374 1.00 0.00 C ATOM 450 C LEU A 31 -5.889 -18.931 1.681 1.00 0.00 C ATOM 451 O LEU A 31 -6.179 -18.948 0.486 1.00 0.00 O ATOM 452 CB LEU A 31 -3.770 -20.028 2.374 1.00 0.00 C ATOM 453 CG LEU A 31 -3.138 -19.981 3.745 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.784 -18.895 4.575 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.271 -21.333 4.439 1.00 0.00 C ATOM 0 H LEU A 31 -4.859 -21.942 1.435 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.682 -20.135 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.359 -20.878 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.484 -19.130 1.827 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.077 -19.755 3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.322 -18.868 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.647 -17.932 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.849 -19.101 4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.811 -21.282 5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.326 -21.586 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.772 -22.098 3.844 1.00 0.00 H new ATOM 467 N LYS A 32 -6.051 -17.879 2.469 1.00 0.00 N ATOM 468 CA LYS A 32 -6.593 -16.621 1.994 1.00 0.00 C ATOM 469 C LYS A 32 -5.526 -15.543 2.113 1.00 0.00 C ATOM 470 O LYS A 32 -4.998 -15.301 3.198 1.00 0.00 O ATOM 471 CB LYS A 32 -7.829 -16.229 2.810 1.00 0.00 C ATOM 472 CG LYS A 32 -8.713 -17.407 3.198 1.00 0.00 C ATOM 473 CD LYS A 32 -9.624 -17.061 4.366 1.00 0.00 C ATOM 474 CE LYS A 32 -10.499 -15.861 4.051 1.00 0.00 C ATOM 475 NZ LYS A 32 -11.245 -15.392 5.251 1.00 0.00 N ATOM 0 H LYS A 32 -5.808 -17.877 3.460 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.891 -16.728 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.506 -15.716 3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.421 -15.517 2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.316 -17.708 2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.088 -18.260 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.253 -17.919 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.021 -16.851 5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.880 -15.050 3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.205 -16.123 3.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.831 -14.572 4.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.855 -16.158 5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.571 -15.118 5.994 1.00 0.00 H new ATOM 489 N LEU A 33 -5.195 -14.908 0.999 1.00 0.00 N ATOM 490 CA LEU A 33 -4.178 -13.877 0.993 1.00 0.00 C ATOM 491 C LEU A 33 -4.558 -12.740 1.933 1.00 0.00 C ATOM 492 O LEU A 33 -5.727 -12.383 2.051 1.00 0.00 O ATOM 493 CB LEU A 33 -3.998 -13.353 -0.431 1.00 0.00 C ATOM 494 CG LEU A 33 -2.692 -12.608 -0.712 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.738 -11.208 -0.121 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.496 -13.384 -0.178 1.00 0.00 C ATOM 0 H LEU A 33 -5.618 -15.091 0.089 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.238 -14.303 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.067 -14.196 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.830 -12.686 -0.659 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.577 -12.519 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.800 -10.693 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.564 -10.653 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.883 -11.273 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.580 -12.833 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.599 -13.515 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.452 -14.361 -0.660 1.00 0.00 H new ATOM 508 N ARG A 34 -3.557 -12.170 2.593 1.00 0.00 N ATOM 509 CA ARG A 34 -3.779 -11.062 3.514 1.00 0.00 C ATOM 510 C ARG A 34 -2.744 -9.975 3.270 1.00 0.00 C ATOM 511 O ARG A 34 -1.639 -10.014 3.809 1.00 0.00 O ATOM 512 CB ARG A 34 -3.729 -11.543 4.962 1.00 0.00 C ATOM 513 CG ARG A 34 -4.053 -10.455 5.977 1.00 0.00 C ATOM 514 CD ARG A 34 -2.976 -10.338 7.046 1.00 0.00 C ATOM 515 NE ARG A 34 -2.540 -8.956 7.229 1.00 0.00 N ATOM 516 CZ ARG A 34 -1.943 -8.504 8.324 1.00 0.00 C ATOM 517 NH1 ARG A 34 -1.702 -9.325 9.343 1.00 0.00 N ATOM 518 NH2 ARG A 34 -1.581 -7.232 8.407 1.00 0.00 N ATOM 0 H ARG A 34 -2.582 -12.457 2.507 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.772 -10.649 3.335 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.432 -12.366 5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.735 -11.939 5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.160 -9.500 5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.011 -10.672 6.449 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.358 -10.727 7.990 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.121 -10.955 6.770 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.705 -8.298 6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.976 -10.306 9.284 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.243 -8.974 10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.761 -6.599 7.628 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.122 -6.886 9.250 1.00 0.00 H new ATOM 532 N VAL A 35 -3.104 -9.028 2.420 1.00 0.00 N ATOM 533 CA VAL A 35 -2.211 -7.941 2.046 1.00 0.00 C ATOM 534 C VAL A 35 -1.975 -6.940 3.167 1.00 0.00 C ATOM 535 O VAL A 35 -2.808 -6.747 4.052 1.00 0.00 O ATOM 536 CB VAL A 35 -2.761 -7.173 0.837 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.722 -6.204 0.297 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.213 -8.134 -0.241 1.00 0.00 C ATOM 0 H VAL A 35 -4.019 -8.990 1.971 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.261 -8.420 1.807 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.625 -6.594 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.133 -5.670 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.452 -5.489 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.835 -6.757 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.600 -7.572 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.368 -8.743 -0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.997 -8.781 0.153 1.00 0.00 H new ATOM 548 N TYR A 36 -0.826 -6.282 3.078 1.00 0.00 N ATOM 549 CA TYR A 36 -0.425 -5.253 4.027 1.00 0.00 C ATOM 550 C TYR A 36 0.305 -4.146 3.276 1.00 0.00 C ATOM 551 O TYR A 36 0.483 -4.233 2.063 1.00 0.00 O ATOM 552 CB TYR A 36 0.471 -5.828 5.131 1.00 0.00 C ATOM 553 CG TYR A 36 1.189 -7.100 4.741 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.489 -8.285 4.563 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.564 -7.113 4.553 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.139 -9.450 4.207 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.223 -8.274 4.197 1.00 0.00 C ATOM 558 CZ TYR A 36 2.507 -9.441 4.025 1.00 0.00 C ATOM 559 OH TYR A 36 3.158 -10.599 3.672 1.00 0.00 O ATOM 0 H TYR A 36 -0.142 -6.449 2.340 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.317 -4.851 4.508 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.210 -5.078 5.412 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.138 -6.023 6.014 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.582 -8.296 4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.128 -6.202 4.687 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.580 -10.364 4.072 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.293 -8.268 4.054 1.00 0.00 H new ATOM 0 HH TYR A 36 4.117 -10.421 3.583 1.00 0.00 H new ATOM 569 N ILE A 37 0.723 -3.108 3.983 1.00 0.00 N ATOM 570 CA ILE A 37 1.421 -2.002 3.342 1.00 0.00 C ATOM 571 C ILE A 37 2.905 -2.315 3.162 1.00 0.00 C ATOM 572 O ILE A 37 3.627 -2.551 4.130 1.00 0.00 O ATOM 573 CB ILE A 37 1.242 -0.690 4.138 1.00 0.00 C ATOM 574 CG1 ILE A 37 -0.164 -0.130 3.917 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.285 0.343 3.733 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.500 0.105 2.461 1.00 0.00 C ATOM 0 H ILE A 37 0.594 -3.007 4.990 1.00 0.00 H new ATOM 0 HA ILE A 37 0.977 -1.866 2.356 1.00 0.00 H new ATOM 0 HB ILE A 37 1.377 -0.913 5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.892 -0.821 4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.261 0.810 4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.135 1.256 4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.282 -0.051 3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.185 0.564 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.512 0.502 2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.205 0.819 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.436 -0.837 1.916 1.00 0.00 H new ATOM 672 N GLN A 46 2.826 -1.758 -4.158 1.00 0.00 N ATOM 673 CA GLN A 46 3.156 -3.175 -4.030 1.00 0.00 C ATOM 674 C GLN A 46 2.292 -3.861 -2.984 1.00 0.00 C ATOM 675 O GLN A 46 1.401 -4.635 -3.321 1.00 0.00 O ATOM 676 CB GLN A 46 4.629 -3.354 -3.686 1.00 0.00 C ATOM 677 CG GLN A 46 5.546 -3.133 -4.871 1.00 0.00 C ATOM 678 CD GLN A 46 7.006 -3.129 -4.474 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.763 -4.035 -4.824 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.406 -2.103 -3.736 1.00 0.00 N ATOM 0 HA GLN A 46 2.955 -3.643 -4.994 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.898 -2.658 -2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.785 -4.360 -3.296 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.375 -3.915 -5.611 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.299 -2.184 -5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.742 -1.376 -3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.378 -2.041 -3.434 1.00 0.00 H new ATOM 689 N TYR A 47 2.564 -3.583 -1.715 1.00 0.00 N ATOM 690 CA TYR A 47 1.811 -4.184 -0.620 1.00 0.00 C ATOM 691 C TYR A 47 2.217 -5.640 -0.420 1.00 0.00 C ATOM 692 O TYR A 47 2.087 -6.466 -1.323 1.00 0.00 O ATOM 693 CB TYR A 47 0.308 -4.077 -0.882 1.00 0.00 C ATOM 694 CG TYR A 47 -0.111 -2.707 -1.357 1.00 0.00 C ATOM 695 CD1 TYR A 47 -0.272 -1.663 -0.456 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.339 -2.454 -2.703 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.649 -0.406 -0.881 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.716 -1.198 -3.137 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.871 -0.177 -2.223 1.00 0.00 C ATOM 700 OH TYR A 47 -1.245 1.075 -2.649 1.00 0.00 O ATOM 0 H TYR A 47 3.302 -2.944 -1.418 1.00 0.00 H new ATOM 0 HA TYR A 47 2.042 -3.637 0.294 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.021 -4.818 -1.628 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.233 -4.320 0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.099 -1.838 0.596 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.220 -3.251 -3.422 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.770 0.395 -0.167 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.889 -1.016 -4.188 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.361 1.068 -3.622 1.00 0.00 H new ATOM 710 N GLY A 48 2.721 -5.938 0.772 1.00 0.00 N ATOM 711 CA GLY A 48 3.158 -7.287 1.086 1.00 0.00 C ATOM 712 C GLY A 48 2.008 -8.265 1.220 1.00 0.00 C ATOM 713 O GLY A 48 1.023 -7.991 1.904 1.00 0.00 O ATOM 0 H GLY A 48 2.835 -5.266 1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.835 -7.635 0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.725 -7.272 2.016 1.00 0.00 H new ATOM 717 N PHE A 49 2.132 -9.402 0.547 1.00 0.00 N ATOM 718 CA PHE A 49 1.102 -10.430 0.568 1.00 0.00 C ATOM 719 C PHE A 49 1.481 -11.618 1.446 1.00 0.00 C ATOM 720 O PHE A 49 2.582 -12.158 1.344 1.00 0.00 O ATOM 721 CB PHE A 49 0.843 -10.924 -0.851 1.00 0.00 C ATOM 722 CG PHE A 49 -0.120 -10.071 -1.610 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.094 -8.696 -1.477 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.054 -10.645 -2.451 1.00 0.00 C ATOM 725 CE1 PHE A 49 -0.984 -7.904 -2.165 1.00 0.00 C ATOM 726 CE2 PHE A 49 -1.952 -9.861 -3.145 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.919 -8.487 -3.001 1.00 0.00 C ATOM 0 H PHE A 49 2.944 -9.636 -0.025 1.00 0.00 H new ATOM 0 HA PHE A 49 0.205 -9.977 0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.788 -10.962 -1.393 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.459 -11.943 -0.808 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.634 -8.237 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.081 -11.718 -2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.953 -6.830 -2.053 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.679 -10.320 -3.799 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.622 -7.870 -3.540 1.00 0.00 H new ATOM 737 N THR A 50 0.536 -12.040 2.279 1.00 0.00 N ATOM 738 CA THR A 50 0.734 -13.195 3.152 1.00 0.00 C ATOM 739 C THR A 50 -0.454 -14.143 3.021 1.00 0.00 C ATOM 740 O THR A 50 -1.506 -13.759 2.517 1.00 0.00 O ATOM 741 CB THR A 50 0.908 -12.760 4.604 1.00 0.00 C ATOM 742 OG1 THR A 50 1.479 -13.807 5.374 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.388 -12.365 5.271 1.00 0.00 C ATOM 0 H THR A 50 -0.379 -11.598 2.369 1.00 0.00 H new ATOM 0 HA THR A 50 1.644 -13.711 2.847 1.00 0.00 H new ATOM 0 HB THR A 50 1.561 -11.888 4.567 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.585 -13.510 6.302 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.191 -12.067 6.301 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.836 -11.531 4.731 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.074 -13.212 5.263 1.00 0.00 H new ATOM 751 N PHE A 51 -0.290 -15.381 3.468 1.00 0.00 N ATOM 752 CA PHE A 51 -1.356 -16.362 3.377 1.00 0.00 C ATOM 753 C PHE A 51 -1.953 -16.611 4.751 1.00 0.00 C ATOM 754 O PHE A 51 -1.410 -17.355 5.561 1.00 0.00 O ATOM 755 CB PHE A 51 -0.806 -17.634 2.729 1.00 0.00 C ATOM 756 CG PHE A 51 0.145 -17.299 1.617 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.333 -16.825 0.406 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.513 -17.401 1.801 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.538 -16.467 -0.605 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.390 -17.039 0.796 1.00 0.00 C ATOM 761 CZ PHE A 51 1.902 -16.570 -0.408 1.00 0.00 C ATOM 0 H PHE A 51 0.569 -15.726 3.896 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.166 -15.993 2.748 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.296 -18.238 3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.629 -18.235 2.341 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.398 -16.734 0.251 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.899 -17.768 2.740 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.153 -16.107 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.455 -17.123 0.952 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.585 -16.284 -1.194 1.00 0.00 H new ATOM 771 N ASP A 52 -3.070 -15.936 5.001 1.00 0.00 N ATOM 772 CA ASP A 52 -3.766 -16.019 6.280 1.00 0.00 C ATOM 773 C ASP A 52 -5.185 -16.565 6.102 1.00 0.00 C ATOM 774 O ASP A 52 -6.071 -15.885 5.598 1.00 0.00 O ATOM 775 CB ASP A 52 -3.802 -14.629 6.923 1.00 0.00 C ATOM 776 CG ASP A 52 -4.733 -14.550 8.115 1.00 0.00 C ATOM 777 OD1 ASP A 52 -5.964 -14.661 7.913 1.00 0.00 O ATOM 778 OD2 ASP A 52 -4.236 -14.375 9.243 1.00 0.00 O ATOM 0 H ASP A 52 -3.517 -15.317 4.325 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.229 -16.709 6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.795 -14.354 7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.114 -13.898 6.177 1.00 0.00 H new ATOM 783 N GLU A 53 -5.372 -17.811 6.522 1.00 0.00 N ATOM 784 CA GLU A 53 -6.665 -18.482 6.409 1.00 0.00 C ATOM 785 C GLU A 53 -7.629 -18.074 7.524 1.00 0.00 C ATOM 786 O GLU A 53 -8.840 -18.179 7.361 1.00 0.00 O ATOM 787 CB GLU A 53 -6.466 -20.000 6.451 1.00 0.00 C ATOM 788 CG GLU A 53 -7.070 -20.720 5.262 1.00 0.00 C ATOM 789 CD GLU A 53 -8.265 -21.573 5.633 1.00 0.00 C ATOM 790 OE1 GLU A 53 -8.823 -21.366 6.731 1.00 0.00 O ATOM 791 OE2 GLU A 53 -8.642 -22.448 4.832 1.00 0.00 O ATOM 0 H GLU A 53 -4.641 -18.381 6.947 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.104 -18.180 5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.399 -20.218 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.909 -20.392 7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.372 -19.986 4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.310 -21.350 4.801 1.00 0.00 H new ATOM 881 N LEU A 60 -10.538 -6.098 5.656 1.00 0.00 N ATOM 882 CA LEU A 60 -11.471 -6.309 4.552 1.00 0.00 C ATOM 883 C LEU A 60 -11.066 -7.541 3.751 1.00 0.00 C ATOM 884 O LEU A 60 -9.908 -7.957 3.789 1.00 0.00 O ATOM 885 CB LEU A 60 -11.548 -5.073 3.650 1.00 0.00 C ATOM 886 CG LEU A 60 -11.647 -3.729 4.380 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.333 -2.700 3.496 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.394 -3.876 5.701 1.00 0.00 C ATOM 0 HA LEU A 60 -12.464 -6.475 4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.665 -5.055 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.413 -5.176 2.995 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.636 -3.387 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.397 -1.750 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.758 -2.566 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.337 -3.045 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.449 -2.907 6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.402 -4.244 5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.865 -4.582 6.341 1.00 0.00 H new ATOM 900 N THR A 61 -12.022 -8.144 3.047 1.00 0.00 N ATOM 901 CA THR A 61 -11.733 -9.349 2.275 1.00 0.00 C ATOM 902 C THR A 61 -12.359 -9.313 0.880 1.00 0.00 C ATOM 903 O THR A 61 -13.554 -9.060 0.724 1.00 0.00 O ATOM 904 CB THR A 61 -12.206 -10.595 3.039 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.417 -11.096 2.499 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.428 -10.348 4.514 1.00 0.00 C ATOM 0 H THR A 61 -12.989 -7.824 2.995 1.00 0.00 H new ATOM 0 HA THR A 61 -10.652 -9.394 2.140 1.00 0.00 H new ATOM 0 HB THR A 61 -11.398 -11.318 2.926 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.475 -12.060 2.666 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.761 -11.270 4.991 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.495 -10.018 4.972 1.00 0.00 H new ATOM 0 HG23 THR A 61 -13.188 -9.577 4.644 1.00 0.00 H new ATOM 914 N ILE A 62 -11.532 -9.587 -0.129 1.00 0.00 N ATOM 915 CA ILE A 62 -11.968 -9.614 -1.515 1.00 0.00 C ATOM 916 C ILE A 62 -11.573 -10.938 -2.173 1.00 0.00 C ATOM 917 O ILE A 62 -10.474 -11.065 -2.716 1.00 0.00 O ATOM 918 CB ILE A 62 -11.367 -8.452 -2.333 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.967 -8.067 -1.832 1.00 0.00 C ATOM 920 CG2 ILE A 62 -12.301 -7.257 -2.303 1.00 0.00 C ATOM 921 CD1 ILE A 62 -9.957 -7.272 -0.539 1.00 0.00 C ATOM 0 H ILE A 62 -10.542 -9.796 -0.003 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.053 -9.507 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.257 -8.788 -3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.383 -8.976 -1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.466 -7.485 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.868 -6.442 -2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -13.263 -7.536 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.444 -6.933 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.928 -7.044 -0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.510 -6.343 -0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.426 -7.858 0.252 1.00 0.00 H new ATOM 933 N GLU A 63 -12.466 -11.923 -2.115 1.00 0.00 N ATOM 934 CA GLU A 63 -12.199 -13.239 -2.698 1.00 0.00 C ATOM 935 C GLU A 63 -11.936 -13.136 -4.194 1.00 0.00 C ATOM 936 O GLU A 63 -12.347 -12.171 -4.838 1.00 0.00 O ATOM 937 CB GLU A 63 -13.367 -14.178 -2.447 1.00 0.00 C ATOM 938 CG GLU A 63 -13.053 -15.644 -2.688 1.00 0.00 C ATOM 939 CD GLU A 63 -14.272 -16.531 -2.611 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.109 -16.472 -3.537 1.00 0.00 O ATOM 941 OE2 GLU A 63 -14.399 -17.284 -1.622 1.00 0.00 O ATOM 0 H GLU A 63 -13.380 -11.837 -1.671 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.306 -13.639 -2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.702 -14.055 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.197 -13.886 -3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.592 -15.754 -3.670 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.321 -15.978 -1.953 1.00 0.00 H new ATOM 948 N LYS A 64 -11.244 -14.133 -4.748 1.00 0.00 N ATOM 949 CA LYS A 64 -10.937 -14.122 -6.174 1.00 0.00 C ATOM 950 C LYS A 64 -10.470 -15.488 -6.687 1.00 0.00 C ATOM 951 O LYS A 64 -10.653 -16.510 -6.025 1.00 0.00 O ATOM 952 CB LYS A 64 -9.886 -13.049 -6.463 1.00 0.00 C ATOM 953 CG LYS A 64 -10.453 -11.847 -7.210 1.00 0.00 C ATOM 954 CD LYS A 64 -9.413 -11.153 -8.083 1.00 0.00 C ATOM 955 CE LYS A 64 -8.773 -12.105 -9.083 1.00 0.00 C ATOM 956 NZ LYS A 64 -9.774 -12.703 -10.011 1.00 0.00 N ATOM 0 H LYS A 64 -10.892 -14.944 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.858 -13.889 -6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.450 -12.713 -5.522 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.079 -13.487 -7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.286 -12.172 -7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.853 -11.132 -6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.883 -10.328 -8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.639 -10.721 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.019 -11.570 -9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.257 -12.901 -8.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.298 -13.370 -10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.499 -13.208 -9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.225 -11.949 -10.568 1.00 0.00 H new ATOM 970 N SER A 65 -9.879 -15.467 -7.888 1.00 0.00 N ATOM 971 CA SER A 65 -9.365 -16.645 -8.583 1.00 0.00 C ATOM 972 C SER A 65 -9.649 -17.967 -7.876 1.00 0.00 C ATOM 973 O SER A 65 -10.448 -18.777 -8.356 1.00 0.00 O ATOM 974 CB SER A 65 -7.862 -16.512 -8.817 1.00 0.00 C ATOM 975 OG SER A 65 -7.514 -16.862 -10.141 1.00 0.00 O ATOM 0 H SER A 65 -9.743 -14.604 -8.415 1.00 0.00 H new ATOM 0 HA SER A 65 -9.903 -16.677 -9.530 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.550 -15.487 -8.616 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.325 -17.152 -8.117 1.00 0.00 H new ATOM 0 HG SER A 65 -6.546 -16.765 -10.261 1.00 0.00 H new ATOM 981 N GLY A 66 -8.971 -18.205 -6.760 1.00 0.00 N ATOM 982 CA GLY A 66 -9.161 -19.465 -6.055 1.00 0.00 C ATOM 983 C GLY A 66 -8.940 -19.378 -4.555 1.00 0.00 C ATOM 984 O GLY A 66 -8.680 -20.394 -3.909 1.00 0.00 O ATOM 0 H GLY A 66 -8.303 -17.563 -6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.173 -19.824 -6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.478 -20.207 -6.469 1.00 0.00 H new ATOM 988 N VAL A 67 -9.046 -18.186 -3.998 1.00 0.00 N ATOM 989 CA VAL A 67 -8.859 -17.998 -2.566 1.00 0.00 C ATOM 990 C VAL A 67 -9.566 -16.734 -2.099 1.00 0.00 C ATOM 991 O VAL A 67 -10.340 -16.131 -2.842 1.00 0.00 O ATOM 992 CB VAL A 67 -7.361 -17.896 -2.199 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.582 -19.066 -2.768 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.771 -16.574 -2.678 1.00 0.00 C ATOM 0 H VAL A 67 -9.260 -17.332 -4.513 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.286 -18.869 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.281 -17.930 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.531 -18.970 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.978 -19.998 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.676 -19.072 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.716 -16.527 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.871 -16.502 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.303 -15.747 -2.208 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.266 -16.316 -0.877 1.00 0.00 N ATOM 1005 CA GLN A 68 -9.842 -15.100 -0.327 1.00 0.00 C ATOM 1006 C GLN A 68 -8.749 -14.058 -0.139 1.00 0.00 C ATOM 1007 O GLN A 68 -7.772 -14.289 0.573 1.00 0.00 O ATOM 1008 CB GLN A 68 -10.553 -15.376 0.998 1.00 0.00 C ATOM 1009 CG GLN A 68 -12.057 -15.179 0.924 1.00 0.00 C ATOM 1010 CD GLN A 68 -12.481 -13.761 1.247 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -13.438 -13.539 1.980 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -11.766 -12.791 0.699 1.00 0.00 N ATOM 0 H GLN A 68 -8.627 -16.802 -0.249 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.585 -14.720 -1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.342 -16.399 1.309 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.145 -14.719 1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.404 -15.438 -0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.543 -15.865 1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.977 -13.018 0.094 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.004 -11.816 0.881 1.00 0.00 H new ATOM 1021 N LEU A 69 -8.908 -12.919 -0.795 1.00 0.00 N ATOM 1022 CA LEU A 69 -7.920 -11.855 -0.710 1.00 0.00 C ATOM 1023 C LEU A 69 -8.314 -10.812 0.323 1.00 0.00 C ATOM 1024 O LEU A 69 -9.139 -9.949 0.059 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.737 -11.192 -2.072 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.297 -11.150 -2.570 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.406 -10.464 -1.550 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -5.800 -12.557 -2.855 1.00 0.00 C ATOM 0 H LEU A 69 -9.709 -12.708 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.977 -12.303 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.345 -11.723 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.119 -10.173 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.262 -10.577 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.381 -10.441 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.756 -9.444 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.441 -11.013 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.770 -12.514 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.845 -13.151 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.428 -13.017 -3.618 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.709 -10.887 1.493 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.000 -9.937 2.550 1.00 0.00 C ATOM 1042 C VAL A 70 -6.859 -8.940 2.699 1.00 0.00 C ATOM 1043 O VAL A 70 -5.717 -9.238 2.358 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.273 -10.654 3.898 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -8.956 -11.990 3.657 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -6.994 -10.854 4.702 1.00 0.00 C ATOM 0 H VAL A 70 -7.015 -11.594 1.735 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.905 -9.397 2.271 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.934 -10.014 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.141 -12.482 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.903 -11.827 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.314 -12.621 3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.228 -11.359 5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.294 -11.461 4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.543 -9.885 4.915 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.171 -7.757 3.204 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.153 -6.735 3.391 1.00 0.00 C ATOM 1058 C ILE A 71 -6.460 -5.877 4.615 1.00 0.00 C ATOM 1059 O ILE A 71 -7.584 -5.868 5.116 1.00 0.00 O ATOM 1060 CB ILE A 71 -5.994 -5.843 2.136 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -7.091 -4.785 2.069 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -6.013 -6.695 0.876 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.483 -5.371 2.012 1.00 0.00 C ATOM 0 H ILE A 71 -8.111 -7.482 3.489 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.207 -7.252 3.554 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.033 -5.333 2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.013 -4.135 2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.931 -4.160 1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.900 -6.054 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.192 -7.412 0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.960 -7.231 0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.215 -4.565 1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.578 -5.999 1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.661 -5.973 2.903 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.447 -5.173 5.100 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.597 -4.326 6.284 1.00 0.00 C ATOM 1077 C ASP A 72 -6.102 -2.925 5.923 1.00 0.00 C ATOM 1078 O ASP A 72 -5.735 -2.368 4.888 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.259 -4.227 7.017 1.00 0.00 C ATOM 1080 CG ASP A 72 -4.313 -3.316 8.229 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -4.480 -2.093 8.044 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -4.187 -3.826 9.361 1.00 0.00 O ATOM 0 H ASP A 72 -4.511 -5.169 4.695 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.342 -4.786 6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.949 -5.223 7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.499 -3.860 6.327 1.00 0.00 H new ATOM 1087 N PRO A 73 -6.961 -2.338 6.784 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.527 -1.001 6.570 1.00 0.00 C ATOM 1089 C PRO A 73 -6.487 0.023 6.127 1.00 0.00 C ATOM 1090 O PRO A 73 -6.747 0.849 5.256 1.00 0.00 O ATOM 1091 CB PRO A 73 -8.082 -0.637 7.944 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.459 -1.944 8.546 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.453 -2.942 8.037 1.00 0.00 C ATOM 0 HA PRO A 73 -8.270 -1.000 5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.338 -0.120 8.550 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.943 0.026 7.862 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.440 -1.892 9.635 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.471 -2.229 8.258 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.644 -3.095 8.752 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.910 -3.916 7.859 1.00 0.00 H new ATOM 1101 N MET A 74 -5.305 -0.030 6.725 1.00 0.00 N ATOM 1102 CA MET A 74 -4.242 0.896 6.372 1.00 0.00 C ATOM 1103 C MET A 74 -3.992 0.831 4.867 1.00 0.00 C ATOM 1104 O MET A 74 -3.844 1.848 4.192 1.00 0.00 O ATOM 1105 CB MET A 74 -2.976 0.574 7.187 1.00 0.00 C ATOM 1106 CG MET A 74 -1.660 0.749 6.441 1.00 0.00 C ATOM 1107 SD MET A 74 -0.338 1.358 7.505 1.00 0.00 S ATOM 1108 CE MET A 74 0.321 2.686 6.500 1.00 0.00 C ATOM 0 H MET A 74 -5.060 -0.701 7.453 1.00 0.00 H new ATOM 0 HA MET A 74 -4.534 1.917 6.617 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.961 1.211 8.071 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.042 -0.456 7.538 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.362 -0.206 6.007 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.805 1.443 5.613 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.337 2.439 6.191 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.304 2.819 5.617 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.332 3.609 7.079 1.00 0.00 H new ATOM 1118 N SER A 75 -3.985 -0.373 4.337 1.00 0.00 N ATOM 1119 CA SER A 75 -3.797 -0.554 2.913 1.00 0.00 C ATOM 1120 C SER A 75 -5.075 -0.177 2.174 1.00 0.00 C ATOM 1121 O SER A 75 -5.030 0.322 1.051 1.00 0.00 O ATOM 1122 CB SER A 75 -3.416 -2.003 2.602 1.00 0.00 C ATOM 1123 OG SER A 75 -2.657 -2.087 1.408 1.00 0.00 O ATOM 0 H SER A 75 -4.106 -1.236 4.866 1.00 0.00 H new ATOM 0 HA SER A 75 -2.986 0.094 2.580 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.842 -2.417 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.318 -2.607 2.506 1.00 0.00 H new ATOM 0 HG SER A 75 -2.425 -3.023 1.233 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.219 -0.422 2.815 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.522 -0.123 2.223 1.00 0.00 C ATOM 1131 C LEU A 76 -7.540 1.247 1.556 1.00 0.00 C ATOM 1132 O LEU A 76 -8.040 1.392 0.445 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.621 -0.229 3.285 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.726 0.831 3.228 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -10.934 0.348 3.993 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -9.236 2.143 3.811 1.00 0.00 C ATOM 0 H LEU A 76 -6.268 -0.829 3.749 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.713 -0.861 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.085 -1.212 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.152 -0.182 4.268 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.000 0.996 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.718 1.104 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.299 -0.578 3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.659 0.169 5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.034 2.884 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.944 1.993 4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.377 2.497 3.240 1.00 0.00 H new ATOM 1148 N GLN A 77 -7.007 2.249 2.243 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.984 3.598 1.702 1.00 0.00 C ATOM 1150 C GLN A 77 -5.857 3.763 0.684 1.00 0.00 C ATOM 1151 O GLN A 77 -5.889 4.675 -0.141 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.900 4.640 2.834 1.00 0.00 C ATOM 1153 CG GLN A 77 -5.556 5.344 2.988 1.00 0.00 C ATOM 1154 CD GLN A 77 -4.904 5.034 4.313 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -4.413 5.925 5.007 1.00 0.00 O ATOM 1156 NE2 GLN A 77 -4.896 3.759 4.669 1.00 0.00 N ATOM 0 H GLN A 77 -6.588 2.153 3.168 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.920 3.771 1.171 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.667 5.395 2.665 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.141 4.146 3.776 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.893 5.041 2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.698 6.421 2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.316 3.057 4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.470 3.479 5.552 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.866 2.876 0.738 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.747 2.934 -0.192 1.00 0.00 C ATOM 1167 C TYR A 78 -4.082 2.225 -1.505 1.00 0.00 C ATOM 1168 O TYR A 78 -3.698 2.677 -2.583 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.502 2.286 0.418 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.834 3.109 1.495 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.550 3.569 2.590 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.479 3.408 1.423 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -1.938 4.307 3.583 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.142 4.144 2.414 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.592 4.591 3.493 1.00 0.00 C ATOM 1176 OH TYR A 78 0.022 5.324 4.482 1.00 0.00 O ATOM 0 H TYR A 78 -4.817 2.113 1.413 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.549 3.987 -0.395 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.779 1.318 0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.780 2.095 -0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.604 3.346 2.667 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.098 3.060 0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.511 4.661 4.427 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.196 4.368 2.344 1.00 0.00 H new ATOM 0 HH TYR A 78 0.972 5.434 4.266 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.771 1.092 -1.397 1.00 0.00 N ATOM 1187 CA LEU A 79 -5.129 0.289 -2.569 1.00 0.00 C ATOM 1188 C LEU A 79 -6.481 0.666 -3.177 1.00 0.00 C ATOM 1189 O LEU A 79 -6.792 0.262 -4.293 1.00 0.00 O ATOM 1190 CB LEU A 79 -5.041 -1.222 -2.264 1.00 0.00 C ATOM 1191 CG LEU A 79 -6.048 -1.843 -1.272 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.369 -2.120 0.053 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -7.277 -0.978 -1.056 1.00 0.00 C ATOM 0 H LEU A 79 -5.094 0.707 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.387 0.523 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.139 -1.755 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.039 -1.424 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.393 -2.777 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.088 -2.558 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.543 -2.814 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.987 -1.187 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.947 -1.468 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.975 -0.009 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.793 -0.835 -2.006 1.00 0.00 H new ATOM 1205 N ILE A 80 -7.300 1.396 -2.422 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.652 1.780 -2.863 1.00 0.00 C ATOM 1207 C ILE A 80 -8.869 1.633 -4.374 1.00 0.00 C ATOM 1208 O ILE A 80 -8.167 2.228 -5.191 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.989 3.238 -2.479 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -8.176 4.223 -3.318 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.740 3.478 -1.007 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.685 4.022 -3.197 1.00 0.00 C ATOM 0 H ILE A 80 -7.054 1.739 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.313 1.085 -2.345 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.047 3.400 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.465 4.123 -4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.424 5.240 -3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.984 4.511 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.365 2.807 -0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.691 3.289 -0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.168 4.754 -3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.384 4.150 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.425 3.017 -3.529 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.878 0.832 -4.705 1.00 0.00 N ATOM 1225 CA GLY A 81 -10.267 0.570 -6.084 1.00 0.00 C ATOM 1226 C GLY A 81 -9.134 0.584 -7.098 1.00 0.00 C ATOM 1227 O GLY A 81 -9.347 0.953 -8.255 1.00 0.00 O ATOM 0 H GLY A 81 -10.452 0.344 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.757 -0.403 -6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.007 1.313 -6.382 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.941 0.168 -6.693 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.825 0.134 -7.625 1.00 0.00 C ATOM 1233 C GLY A 82 -6.767 -1.182 -8.381 1.00 0.00 C ATOM 1234 O GLY A 82 -7.797 -1.816 -8.606 1.00 0.00 O ATOM 0 H GLY A 82 -7.725 -0.144 -5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.917 0.957 -8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.892 0.283 -7.082 1.00 0.00 H new ATOM 1238 N THR A 83 -5.566 -1.599 -8.769 1.00 0.00 N ATOM 1239 CA THR A 83 -5.393 -2.855 -9.493 1.00 0.00 C ATOM 1240 C THR A 83 -4.028 -3.471 -9.191 1.00 0.00 C ATOM 1241 O THR A 83 -3.011 -2.781 -9.209 1.00 0.00 O ATOM 1242 CB THR A 83 -5.543 -2.630 -11.000 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.888 -2.335 -11.330 1.00 0.00 O ATOM 1244 CG2 THR A 83 -5.117 -3.826 -11.827 1.00 0.00 C ATOM 0 H THR A 83 -4.700 -1.088 -8.595 1.00 0.00 H new ATOM 0 HA THR A 83 -6.168 -3.546 -9.160 1.00 0.00 H new ATOM 0 HB THR A 83 -4.886 -1.793 -11.236 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.419 -2.267 -10.509 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.248 -3.602 -12.886 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.068 -4.049 -11.630 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.728 -4.689 -11.561 1.00 0.00 H new ATOM 1252 N VAL A 84 -4.013 -4.774 -8.920 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.761 -5.467 -8.623 1.00 0.00 C ATOM 1254 C VAL A 84 -2.570 -6.679 -9.525 1.00 0.00 C ATOM 1255 O VAL A 84 -3.535 -7.279 -9.994 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.657 -5.916 -7.136 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.918 -5.595 -6.348 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.317 -7.398 -7.017 1.00 0.00 C ATOM 0 H VAL A 84 -4.843 -5.366 -8.900 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.970 -4.741 -8.813 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.839 -5.342 -6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.797 -5.927 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.093 -4.519 -6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.768 -6.108 -6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.253 -7.673 -5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.095 -7.990 -7.500 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.360 -7.592 -7.501 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.312 -7.043 -9.738 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.979 -8.201 -10.553 1.00 0.00 C ATOM 1270 C ASP A 85 0.337 -8.818 -10.099 1.00 0.00 C ATOM 1271 O ASP A 85 1.253 -8.110 -9.680 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.910 -7.828 -12.034 1.00 0.00 C ATOM 1273 CG ASP A 85 -0.296 -6.460 -12.266 1.00 0.00 C ATOM 1274 OD1 ASP A 85 0.948 -6.360 -12.268 1.00 0.00 O ATOM 1275 OD2 ASP A 85 -1.062 -5.489 -12.446 1.00 0.00 O ATOM 0 H ASP A 85 -0.505 -6.551 -9.356 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.770 -8.939 -10.425 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.326 -8.579 -12.567 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.915 -7.847 -12.456 1.00 0.00 H new ATOM 1280 N TYR A 86 0.425 -10.139 -10.181 1.00 0.00 N ATOM 1281 CA TYR A 86 1.628 -10.847 -9.774 1.00 0.00 C ATOM 1282 C TYR A 86 2.249 -11.588 -10.951 1.00 0.00 C ATOM 1283 O TYR A 86 1.543 -12.102 -11.818 1.00 0.00 O ATOM 1284 CB TYR A 86 1.292 -11.835 -8.661 1.00 0.00 C ATOM 1285 CG TYR A 86 2.155 -11.699 -7.429 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.533 -11.845 -7.499 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.583 -11.439 -6.192 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.320 -11.735 -6.368 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.360 -11.324 -5.057 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.729 -11.473 -5.149 1.00 0.00 C ATOM 1291 OH TYR A 86 4.507 -11.362 -4.019 1.00 0.00 O ATOM 0 H TYR A 86 -0.323 -10.740 -10.526 1.00 0.00 H new ATOM 0 HA TYR A 86 2.350 -10.117 -9.409 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.248 -11.702 -8.376 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.390 -12.849 -9.049 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.998 -12.048 -8.452 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.512 -11.325 -6.116 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.391 -11.853 -6.438 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.899 -11.119 -4.102 1.00 0.00 H new ATOM 0 HH TYR A 86 3.935 -11.175 -3.245 1.00 0.00 H new ATOM 1301 N THR A 87 3.571 -11.648 -10.963 1.00 0.00 N ATOM 1302 CA THR A 87 4.295 -12.338 -12.021 1.00 0.00 C ATOM 1303 C THR A 87 5.592 -12.924 -11.479 1.00 0.00 C ATOM 1304 O THR A 87 6.635 -12.271 -11.491 1.00 0.00 O ATOM 1305 CB THR A 87 4.586 -11.387 -13.182 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.381 -10.909 -13.753 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.399 -12.022 -14.291 1.00 0.00 C ATOM 0 H THR A 87 4.167 -11.226 -10.250 1.00 0.00 H new ATOM 0 HA THR A 87 3.672 -13.152 -12.391 1.00 0.00 H new ATOM 0 HB THR A 87 5.168 -10.574 -12.748 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.588 -10.301 -14.493 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.569 -11.291 -15.082 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.358 -12.356 -13.894 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.857 -12.876 -14.696 1.00 0.00 H new ATOM 1413 N PHE A 95 6.059 -8.096 -7.671 1.00 0.00 N ATOM 1414 CA PHE A 95 4.691 -7.662 -7.423 1.00 0.00 C ATOM 1415 C PHE A 95 4.486 -6.216 -7.856 1.00 0.00 C ATOM 1416 O PHE A 95 5.336 -5.360 -7.612 1.00 0.00 O ATOM 1417 CB PHE A 95 4.359 -7.813 -5.938 1.00 0.00 C ATOM 1418 CG PHE A 95 2.886 -7.814 -5.648 1.00 0.00 C ATOM 1419 CD1 PHE A 95 2.006 -8.499 -6.471 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.382 -7.129 -4.553 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.654 -8.500 -6.208 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.029 -7.129 -4.285 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.164 -7.816 -5.115 1.00 0.00 C ATOM 0 HA PHE A 95 4.022 -8.291 -8.011 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.794 -8.742 -5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.829 -7.000 -5.385 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.384 -9.038 -7.327 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.056 -6.590 -3.903 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.022 -9.036 -6.857 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.647 -6.593 -3.429 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.896 -7.817 -4.908 1.00 0.00 H new ATOM 1433 N THR A 96 3.353 -5.945 -8.500 1.00 0.00 N ATOM 1434 CA THR A 96 3.051 -4.591 -8.959 1.00 0.00 C ATOM 1435 C THR A 96 1.573 -4.255 -8.793 1.00 0.00 C ATOM 1436 O THR A 96 0.698 -5.043 -9.154 1.00 0.00 O ATOM 1437 CB THR A 96 3.454 -4.418 -10.422 1.00 0.00 C ATOM 1438 OG1 THR A 96 4.559 -5.244 -10.743 1.00 0.00 O ATOM 1439 CG2 THR A 96 3.826 -2.993 -10.772 1.00 0.00 C ATOM 0 H THR A 96 2.635 -6.637 -8.714 1.00 0.00 H new ATOM 0 HA THR A 96 3.628 -3.905 -8.340 1.00 0.00 H new ATOM 0 HB THR A 96 2.574 -4.701 -11.000 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.799 -5.118 -11.685 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.102 -2.937 -11.825 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.975 -2.338 -10.585 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.669 -2.676 -10.158 1.00 0.00 H new ATOM 1447 N VAL A 97 1.307 -3.071 -8.251 1.00 0.00 N ATOM 1448 CA VAL A 97 -0.059 -2.605 -8.039 1.00 0.00 C ATOM 1449 C VAL A 97 -0.228 -1.186 -8.574 1.00 0.00 C ATOM 1450 O VAL A 97 0.753 -0.466 -8.761 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.452 -2.630 -6.545 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.960 -2.636 -6.394 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.154 -3.839 -5.847 1.00 0.00 C ATOM 0 H VAL A 97 2.025 -2.413 -7.949 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.715 -3.287 -8.580 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.058 -1.729 -6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.220 -2.654 -5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.375 -1.740 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.371 -3.519 -6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.136 -3.836 -4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.208 -4.752 -6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.240 -3.797 -5.924 1.00 0.00 H new ATOM 1463 N ASN A 98 -1.471 -0.788 -8.828 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.747 0.545 -9.352 1.00 0.00 C ATOM 1465 C ASN A 98 -2.996 1.148 -8.715 1.00 0.00 C ATOM 1466 O ASN A 98 -4.038 0.497 -8.624 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.911 0.489 -10.872 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.804 -0.304 -11.538 1.00 0.00 C ATOM 1469 OD1 ASN A 98 0.377 -0.008 -11.365 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -1.183 -1.319 -12.306 1.00 0.00 N ATOM 0 H ASN A 98 -2.299 -1.366 -8.680 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.900 1.184 -9.102 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.874 0.041 -11.116 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.921 1.503 -11.272 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.483 -1.889 -12.781 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -2.175 -1.529 -12.421 1.00 0.00 H new