USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 658 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 51 THR OG1 : rot -52:sc= 0.758 USER MOD Set 1.2: A 55 THR OG1 : rot 3:sc= 0.683 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00749 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -160:sc= -1.09 USER MOD Single : A 17 THR OG1 : rot 39:sc= 0.257 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc=0.000109 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot -70:sc= -2.36 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0853 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot -179:sc= 1.3 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00724) USER MOD Single : A 80 THR OG1 : rot -51:sc= 0.00714 USER MOD Single : A 81 TYR OH : rot -14:sc= 1.23 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.19! K(o=-2.2!,f=-0.41) USER MOD Single : A 95 SER OG : rot 54:sc= -0.651 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 10 -9.672 -18.912 -6.266 1.00 0.00 N ATOM 88 CA ASP A 10 -9.953 -17.787 -7.150 1.00 0.00 C ATOM 89 C ASP A 10 -9.560 -16.468 -6.491 1.00 0.00 C ATOM 90 O ASP A 10 -9.323 -16.411 -5.286 1.00 0.00 O ATOM 91 CB ASP A 10 -11.436 -17.762 -7.525 1.00 0.00 C ATOM 92 CG ASP A 10 -12.335 -17.574 -6.319 1.00 0.00 C ATOM 93 OD1 ASP A 10 -12.103 -16.618 -5.549 1.00 0.00 O ATOM 94 OD2 ASP A 10 -13.270 -18.383 -6.145 1.00 0.00 O ATOM 0 HA ASP A 10 -9.360 -17.912 -8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.614 -16.956 -8.237 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.697 -18.694 -8.027 1.00 0.00 H new ATOM 99 N ALA A 11 -9.493 -15.409 -7.293 1.00 0.00 N ATOM 100 CA ALA A 11 -9.130 -14.091 -6.788 1.00 0.00 C ATOM 101 C ALA A 11 -10.348 -13.176 -6.716 1.00 0.00 C ATOM 102 O ALA A 11 -10.515 -12.424 -5.756 1.00 0.00 O ATOM 103 CB ALA A 11 -8.051 -13.470 -7.663 1.00 0.00 C ATOM 0 H ALA A 11 -9.685 -15.439 -8.294 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.739 -14.211 -5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.789 -12.486 -7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.167 -14.108 -7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.422 -13.370 -8.683 1.00 0.00 H new ATOM 109 N SER A 12 -11.195 -13.245 -7.738 1.00 0.00 N ATOM 110 CA SER A 12 -12.396 -12.419 -7.792 1.00 0.00 C ATOM 111 C SER A 12 -13.081 -12.368 -6.431 1.00 0.00 C ATOM 112 O SER A 12 -13.532 -11.310 -5.989 1.00 0.00 O ATOM 113 CB SER A 12 -13.365 -12.961 -8.844 1.00 0.00 C ATOM 114 OG SER A 12 -14.316 -11.978 -9.216 1.00 0.00 O ATOM 0 H SER A 12 -11.072 -13.864 -8.539 1.00 0.00 H new ATOM 0 HA SER A 12 -12.100 -11.407 -8.068 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.808 -13.284 -9.724 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.879 -13.839 -8.452 1.00 0.00 H new ATOM 0 HG SER A 12 -14.923 -12.349 -9.890 1.00 0.00 H new ATOM 120 N LYS A 13 -13.156 -13.517 -5.769 1.00 0.00 N ATOM 121 CA LYS A 13 -13.785 -13.606 -4.456 1.00 0.00 C ATOM 122 C LYS A 13 -13.003 -12.801 -3.423 1.00 0.00 C ATOM 123 O LYS A 13 -13.588 -12.114 -2.585 1.00 0.00 O ATOM 124 CB LYS A 13 -13.884 -15.067 -4.013 1.00 0.00 C ATOM 125 CG LYS A 13 -14.565 -15.967 -5.030 1.00 0.00 C ATOM 126 CD LYS A 13 -16.056 -15.684 -5.115 1.00 0.00 C ATOM 127 CE LYS A 13 -16.750 -16.639 -6.073 1.00 0.00 C ATOM 128 NZ LYS A 13 -16.643 -16.184 -7.486 1.00 0.00 N ATOM 0 H LYS A 13 -12.789 -14.401 -6.120 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.789 -13.188 -4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.881 -15.447 -3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.432 -15.116 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.110 -15.821 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.407 -17.010 -4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.501 -15.773 -4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.214 -14.657 -5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.311 -17.632 -5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.801 -16.728 -5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.129 -16.862 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.085 -15.248 -7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.641 -16.124 -7.756 1.00 0.00 H new ATOM 142 N CYS A 14 -11.680 -12.892 -3.488 1.00 0.00 N ATOM 143 CA CYS A 14 -10.817 -12.172 -2.558 1.00 0.00 C ATOM 144 C CYS A 14 -11.265 -10.721 -2.412 1.00 0.00 C ATOM 145 O CYS A 14 -11.433 -10.010 -3.403 1.00 0.00 O ATOM 146 CB CYS A 14 -9.364 -12.224 -3.032 1.00 0.00 C ATOM 147 SG CYS A 14 -8.696 -13.897 -3.184 1.00 0.00 S ATOM 0 H CYS A 14 -11.181 -13.457 -4.175 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.891 -12.656 -1.584 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.291 -11.726 -3.999 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.745 -11.659 -2.335 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.397 -13.848 -3.177 1.00 0.00 H new ATOM 153 N LEU A 15 -11.460 -10.290 -1.171 1.00 0.00 N ATOM 154 CA LEU A 15 -11.892 -8.924 -0.895 1.00 0.00 C ATOM 155 C LEU A 15 -10.814 -8.156 -0.136 1.00 0.00 C ATOM 156 O LEU A 15 -10.089 -8.725 0.680 1.00 0.00 O ATOM 157 CB LEU A 15 -13.193 -8.932 -0.089 1.00 0.00 C ATOM 158 CG LEU A 15 -14.396 -9.589 -0.765 1.00 0.00 C ATOM 159 CD1 LEU A 15 -15.654 -9.379 0.064 1.00 0.00 C ATOM 160 CD2 LEU A 15 -14.584 -9.039 -2.170 1.00 0.00 C ATOM 0 H LEU A 15 -11.326 -10.866 -0.340 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.066 -8.424 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -13.009 -9.443 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -13.454 -7.902 0.152 1.00 0.00 H new ATOM 0 HG LEU A 15 -14.208 -10.660 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.500 -9.853 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.518 -9.821 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -15.847 -8.311 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.445 -9.518 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -14.750 -7.963 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.692 -9.241 -2.762 1.00 0.00 H new ATOM 172 N ALA A 16 -10.717 -6.858 -0.408 1.00 0.00 N ATOM 173 CA ALA A 16 -9.732 -6.011 0.252 1.00 0.00 C ATOM 174 C ALA A 16 -10.408 -4.978 1.147 1.00 0.00 C ATOM 175 O ALA A 16 -11.176 -4.140 0.675 1.00 0.00 O ATOM 176 CB ALA A 16 -8.851 -5.323 -0.780 1.00 0.00 C ATOM 0 H ALA A 16 -11.309 -6.371 -1.081 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.107 -6.645 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.120 -4.694 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.332 -6.075 -1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.469 -4.707 -1.433 1.00 0.00 H new ATOM 182 N THR A 17 -10.117 -5.043 2.442 1.00 0.00 N ATOM 183 CA THR A 17 -10.698 -4.115 3.404 1.00 0.00 C ATOM 184 C THR A 17 -9.614 -3.359 4.164 1.00 0.00 C ATOM 185 O THR A 17 -8.739 -3.964 4.782 1.00 0.00 O ATOM 186 CB THR A 17 -11.603 -4.845 4.415 1.00 0.00 C ATOM 187 OG1 THR A 17 -10.868 -5.888 5.064 1.00 0.00 O ATOM 188 CG2 THR A 17 -12.824 -5.432 3.722 1.00 0.00 C ATOM 0 H THR A 17 -9.482 -5.729 2.849 1.00 0.00 H new ATOM 0 HA THR A 17 -11.300 -3.407 2.834 1.00 0.00 H new ATOM 0 HB THR A 17 -11.940 -4.122 5.158 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.954 -5.583 5.241 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.448 -5.943 4.455 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.396 -4.631 3.253 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.503 -6.143 2.961 1.00 0.00 H new ATOM 196 N GLY A 18 -9.677 -2.032 4.112 1.00 0.00 N ATOM 197 CA GLY A 18 -8.694 -1.215 4.801 1.00 0.00 C ATOM 198 C GLY A 18 -8.672 0.214 4.297 1.00 0.00 C ATOM 199 O GLY A 18 -9.099 0.509 3.181 1.00 0.00 O ATOM 0 H GLY A 18 -10.391 -1.508 3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.909 -1.217 5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.706 -1.657 4.674 1.00 0.00 H new ATOM 203 N PRO A 19 -8.168 1.133 5.135 1.00 0.00 N ATOM 204 CA PRO A 19 -8.082 2.555 4.789 1.00 0.00 C ATOM 205 C PRO A 19 -7.043 2.828 3.708 1.00 0.00 C ATOM 206 O PRO A 19 -7.156 3.795 2.955 1.00 0.00 O ATOM 207 CB PRO A 19 -7.667 3.214 6.108 1.00 0.00 C ATOM 208 CG PRO A 19 -6.964 2.140 6.864 1.00 0.00 C ATOM 209 CD PRO A 19 -7.641 0.854 6.481 1.00 0.00 C ATOM 0 HA PRO A 19 -9.020 2.933 4.382 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.013 4.069 5.935 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.534 3.582 6.657 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.904 2.114 6.610 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.031 2.311 7.938 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.941 0.018 6.473 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.438 0.596 7.179 1.00 0.00 H new ATOM 217 N GLY A 20 -6.031 1.968 3.635 1.00 0.00 N ATOM 218 CA GLY A 20 -4.987 2.135 2.640 1.00 0.00 C ATOM 219 C GLY A 20 -5.483 1.877 1.230 1.00 0.00 C ATOM 220 O GLY A 20 -4.954 2.436 0.268 1.00 0.00 O ATOM 0 H GLY A 20 -5.916 1.160 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.589 3.148 2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.165 1.455 2.863 1.00 0.00 H new ATOM 224 N ILE A 21 -6.498 1.030 1.108 1.00 0.00 N ATOM 225 CA ILE A 21 -7.064 0.699 -0.195 1.00 0.00 C ATOM 226 C ILE A 21 -8.240 1.610 -0.529 1.00 0.00 C ATOM 227 O ILE A 21 -8.680 1.677 -1.677 1.00 0.00 O ATOM 228 CB ILE A 21 -7.531 -0.767 -0.250 1.00 0.00 C ATOM 229 CG1 ILE A 21 -8.483 -1.066 0.910 1.00 0.00 C ATOM 230 CG2 ILE A 21 -6.335 -1.707 -0.216 1.00 0.00 C ATOM 231 CD1 ILE A 21 -9.406 -2.235 0.648 1.00 0.00 C ATOM 0 H ILE A 21 -6.946 0.560 1.895 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.273 0.846 -0.930 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.067 -0.926 -1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.898 -1.270 1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.082 -0.179 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.682 -2.739 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.691 -1.508 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.773 -1.548 0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.052 -2.389 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.018 -2.026 -0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.814 -3.133 0.472 1.00 0.00 H new ATOM 243 N ALA A 22 -8.745 2.310 0.481 1.00 0.00 N ATOM 244 CA ALA A 22 -9.869 3.220 0.293 1.00 0.00 C ATOM 245 C ALA A 22 -9.622 4.163 -0.878 1.00 0.00 C ATOM 246 O ALA A 22 -8.524 4.698 -1.036 1.00 0.00 O ATOM 247 CB ALA A 22 -10.125 4.012 1.567 1.00 0.00 C ATOM 0 H ALA A 22 -8.394 2.265 1.438 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.753 2.624 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.967 4.687 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.355 3.326 2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.237 4.591 1.820 1.00 0.00 H new ATOM 253 N SER A 23 -10.648 4.363 -1.699 1.00 0.00 N ATOM 254 CA SER A 23 -10.540 5.239 -2.859 1.00 0.00 C ATOM 255 C SER A 23 -9.630 6.426 -2.561 1.00 0.00 C ATOM 256 O SER A 23 -8.812 6.821 -3.393 1.00 0.00 O ATOM 257 CB SER A 23 -11.925 5.737 -3.279 1.00 0.00 C ATOM 258 OG SER A 23 -12.598 4.768 -4.065 1.00 0.00 O ATOM 0 H SER A 23 -11.564 3.930 -1.582 1.00 0.00 H new ATOM 0 HA SER A 23 -10.104 4.665 -3.677 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.517 5.966 -2.393 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.826 6.664 -3.844 1.00 0.00 H new ATOM 0 HG SER A 23 -13.481 5.109 -4.319 1.00 0.00 H new ATOM 264 N THR A 24 -9.777 6.991 -1.367 1.00 0.00 N ATOM 265 CA THR A 24 -8.970 8.134 -0.958 1.00 0.00 C ATOM 266 C THR A 24 -8.283 7.872 0.378 1.00 0.00 C ATOM 267 O THR A 24 -8.733 7.040 1.166 1.00 0.00 O ATOM 268 CB THR A 24 -9.823 9.411 -0.840 1.00 0.00 C ATOM 269 OG1 THR A 24 -10.795 9.258 0.201 1.00 0.00 O ATOM 270 CG2 THR A 24 -10.526 9.715 -2.155 1.00 0.00 C ATOM 0 H THR A 24 -10.448 6.676 -0.666 1.00 0.00 H new ATOM 0 HA THR A 24 -8.215 8.280 -1.731 1.00 0.00 H new ATOM 0 HB THR A 24 -9.161 10.242 -0.598 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.332 10.075 0.270 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.122 10.621 -2.048 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.783 9.860 -2.940 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.176 8.882 -2.421 1.00 0.00 H new ATOM 278 N VAL A 25 -7.190 8.586 0.625 1.00 0.00 N ATOM 279 CA VAL A 25 -6.441 8.432 1.867 1.00 0.00 C ATOM 280 C VAL A 25 -5.626 9.682 2.176 1.00 0.00 C ATOM 281 O VAL A 25 -5.265 10.440 1.276 1.00 0.00 O ATOM 282 CB VAL A 25 -5.495 7.217 1.804 1.00 0.00 C ATOM 283 CG1 VAL A 25 -6.281 5.941 1.548 1.00 0.00 C ATOM 284 CG2 VAL A 25 -4.433 7.425 0.735 1.00 0.00 C ATOM 0 H VAL A 25 -6.803 9.277 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.172 8.274 2.660 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.993 7.117 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.596 5.094 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.999 5.788 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.812 6.025 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.773 6.558 0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.913 7.551 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.850 8.316 0.970 1.00 0.00 H new ATOM 294 N LYS A 26 -5.337 9.893 3.456 1.00 0.00 N ATOM 295 CA LYS A 26 -4.563 11.050 3.887 1.00 0.00 C ATOM 296 C LYS A 26 -3.068 10.747 3.855 1.00 0.00 C ATOM 297 O LYS A 26 -2.645 9.627 4.146 1.00 0.00 O ATOM 298 CB LYS A 26 -4.979 11.472 5.297 1.00 0.00 C ATOM 299 CG LYS A 26 -4.587 12.899 5.646 1.00 0.00 C ATOM 300 CD LYS A 26 -4.687 13.154 7.141 1.00 0.00 C ATOM 301 CE LYS A 26 -3.382 12.825 7.850 1.00 0.00 C ATOM 302 NZ LYS A 26 -3.539 12.826 9.331 1.00 0.00 N ATOM 0 H LYS A 26 -5.628 9.276 4.214 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.765 11.868 3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.059 11.367 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.526 10.793 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.568 13.090 5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.234 13.596 5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.945 14.198 7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.493 12.552 7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.028 11.847 7.523 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.621 13.551 7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.628 12.597 9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.853 13.766 9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.247 12.115 9.606 1.00 0.00 H new ATOM 316 N THR A 27 -2.273 11.752 3.504 1.00 0.00 N ATOM 317 CA THR A 27 -0.825 11.592 3.435 1.00 0.00 C ATOM 318 C THR A 27 -0.180 11.840 4.794 1.00 0.00 C ATOM 319 O THR A 27 -0.778 12.459 5.672 1.00 0.00 O ATOM 320 CB THR A 27 -0.203 12.551 2.402 1.00 0.00 C ATOM 321 OG1 THR A 27 -0.630 13.892 2.659 1.00 0.00 O ATOM 322 CG2 THR A 27 -0.595 12.151 0.988 1.00 0.00 C ATOM 0 H THR A 27 -2.606 12.685 3.263 1.00 0.00 H new ATOM 0 HA THR A 27 -0.634 10.564 3.127 1.00 0.00 H new ATOM 0 HB THR A 27 0.882 12.492 2.492 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.229 14.495 1.999 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.144 12.842 0.276 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.242 11.140 0.785 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.680 12.184 0.888 1.00 0.00 H new ATOM 330 N GLY A 28 1.045 11.351 4.960 1.00 0.00 N ATOM 331 CA GLY A 28 1.751 11.530 6.215 1.00 0.00 C ATOM 332 C GLY A 28 1.400 10.466 7.235 1.00 0.00 C ATOM 333 O GLY A 28 2.235 10.081 8.053 1.00 0.00 O ATOM 0 H GLY A 28 1.561 10.834 4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.825 11.511 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.515 12.513 6.624 1.00 0.00 H new ATOM 337 N GLU A 29 0.160 9.990 7.187 1.00 0.00 N ATOM 338 CA GLU A 29 -0.302 8.965 8.118 1.00 0.00 C ATOM 339 C GLU A 29 0.012 7.568 7.587 1.00 0.00 C ATOM 340 O GLU A 29 0.119 7.363 6.379 1.00 0.00 O ATOM 341 CB GLU A 29 -1.806 9.104 8.360 1.00 0.00 C ATOM 342 CG GLU A 29 -2.647 8.879 7.115 1.00 0.00 C ATOM 343 CD GLU A 29 -4.064 8.448 7.439 1.00 0.00 C ATOM 344 OE1 GLU A 29 -4.616 8.934 8.448 1.00 0.00 O ATOM 345 OE2 GLU A 29 -4.621 7.623 6.684 1.00 0.00 O ATOM 0 H GLU A 29 -0.543 10.297 6.514 1.00 0.00 H new ATOM 0 HA GLU A 29 0.224 9.104 9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.109 8.391 9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.012 10.100 8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.676 9.798 6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.173 8.119 6.493 1.00 0.00 H new ATOM 352 N GLU A 30 0.159 6.615 8.501 1.00 0.00 N ATOM 353 CA GLU A 30 0.462 5.238 8.126 1.00 0.00 C ATOM 354 C GLU A 30 -0.804 4.388 8.108 1.00 0.00 C ATOM 355 O GLU A 30 -1.384 4.094 9.154 1.00 0.00 O ATOM 356 CB GLU A 30 1.481 4.634 9.095 1.00 0.00 C ATOM 357 CG GLU A 30 1.738 3.155 8.864 1.00 0.00 C ATOM 358 CD GLU A 30 3.045 2.688 9.475 1.00 0.00 C ATOM 359 OE1 GLU A 30 4.104 2.902 8.849 1.00 0.00 O ATOM 360 OE2 GLU A 30 3.008 2.107 10.580 1.00 0.00 O ATOM 0 H GLU A 30 0.073 6.770 9.506 1.00 0.00 H new ATOM 0 HA GLU A 30 0.887 5.247 7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.422 5.176 9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.128 4.778 10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.916 2.577 9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.750 2.955 7.793 1.00 0.00 H new ATOM 367 N VAL A 31 -1.230 3.996 6.912 1.00 0.00 N ATOM 368 CA VAL A 31 -2.428 3.179 6.756 1.00 0.00 C ATOM 369 C VAL A 31 -2.117 1.703 6.968 1.00 0.00 C ATOM 370 O VAL A 31 -0.957 1.313 7.094 1.00 0.00 O ATOM 371 CB VAL A 31 -3.057 3.366 5.362 1.00 0.00 C ATOM 372 CG1 VAL A 31 -3.430 4.822 5.134 1.00 0.00 C ATOM 373 CG2 VAL A 31 -2.107 2.875 4.279 1.00 0.00 C ATOM 0 H VAL A 31 -0.763 4.231 6.036 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.138 3.510 7.514 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.969 2.771 5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.873 4.934 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.149 5.136 5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.536 5.442 5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.567 3.014 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.177 3.441 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.896 1.817 4.433 1.00 0.00 H new ATOM 383 N GLY A 32 -3.163 0.882 7.004 1.00 0.00 N ATOM 384 CA GLY A 32 -2.980 -0.544 7.201 1.00 0.00 C ATOM 385 C GLY A 32 -4.197 -1.347 6.785 1.00 0.00 C ATOM 386 O GLY A 32 -5.173 -1.440 7.529 1.00 0.00 O ATOM 0 H GLY A 32 -4.133 1.179 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.115 -0.879 6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.762 -0.738 8.251 1.00 0.00 H new ATOM 390 N PHE A 33 -4.141 -1.927 5.591 1.00 0.00 N ATOM 391 CA PHE A 33 -5.247 -2.724 5.074 1.00 0.00 C ATOM 392 C PHE A 33 -4.909 -4.211 5.108 1.00 0.00 C ATOM 393 O PHE A 33 -3.739 -4.594 5.077 1.00 0.00 O ATOM 394 CB PHE A 33 -5.586 -2.299 3.644 1.00 0.00 C ATOM 395 CG PHE A 33 -4.514 -2.638 2.648 1.00 0.00 C ATOM 396 CD1 PHE A 33 -4.512 -3.864 2.003 1.00 0.00 C ATOM 397 CD2 PHE A 33 -3.508 -1.730 2.358 1.00 0.00 C ATOM 398 CE1 PHE A 33 -3.526 -4.179 1.087 1.00 0.00 C ATOM 399 CE2 PHE A 33 -2.519 -2.040 1.442 1.00 0.00 C ATOM 400 CZ PHE A 33 -2.530 -3.265 0.805 1.00 0.00 C ATOM 0 H PHE A 33 -3.340 -1.860 4.963 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.114 -2.552 5.712 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.517 -2.779 3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.761 -1.223 3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.290 -4.582 2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.496 -0.770 2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.535 -5.139 0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.739 -1.325 1.225 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.761 -3.508 0.087 1.00 0.00 H new ATOM 410 N VAL A 34 -5.942 -5.046 5.175 1.00 0.00 N ATOM 411 CA VAL A 34 -5.756 -6.491 5.213 1.00 0.00 C ATOM 412 C VAL A 34 -6.773 -7.200 4.327 1.00 0.00 C ATOM 413 O VAL A 34 -7.964 -6.888 4.356 1.00 0.00 O ATOM 414 CB VAL A 34 -5.876 -7.034 6.649 1.00 0.00 C ATOM 415 CG1 VAL A 34 -7.250 -6.724 7.224 1.00 0.00 C ATOM 416 CG2 VAL A 34 -5.603 -8.531 6.677 1.00 0.00 C ATOM 0 H VAL A 34 -6.916 -4.746 5.204 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.752 -6.691 4.839 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.129 -6.540 7.270 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.316 -7.115 8.239 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.403 -5.645 7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.017 -7.189 6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.692 -8.898 7.699 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.326 -9.045 6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.595 -8.724 6.309 1.00 0.00 H new ATOM 426 N VAL A 35 -6.296 -8.157 3.536 1.00 0.00 N ATOM 427 CA VAL A 35 -7.164 -8.912 2.641 1.00 0.00 C ATOM 428 C VAL A 35 -7.905 -10.013 3.392 1.00 0.00 C ATOM 429 O VAL A 35 -7.355 -10.638 4.299 1.00 0.00 O ATOM 430 CB VAL A 35 -6.365 -9.543 1.486 1.00 0.00 C ATOM 431 CG1 VAL A 35 -7.277 -10.380 0.600 1.00 0.00 C ATOM 432 CG2 VAL A 35 -5.662 -8.466 0.674 1.00 0.00 C ATOM 0 H VAL A 35 -5.313 -8.427 3.497 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.887 -8.206 2.231 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.606 -10.201 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.695 -10.818 -0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.730 -11.175 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.060 -9.747 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.102 -8.930 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.402 -7.781 0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.977 -7.914 1.318 1.00 0.00 H new ATOM 442 N ASP A 36 -9.156 -10.244 3.010 1.00 0.00 N ATOM 443 CA ASP A 36 -9.973 -11.270 3.646 1.00 0.00 C ATOM 444 C ASP A 36 -10.342 -12.366 2.651 1.00 0.00 C ATOM 445 O ASP A 36 -10.685 -12.085 1.503 1.00 0.00 O ATOM 446 CB ASP A 36 -11.241 -10.650 4.236 1.00 0.00 C ATOM 447 CG ASP A 36 -11.811 -11.470 5.376 1.00 0.00 C ATOM 448 OD1 ASP A 36 -11.683 -12.712 5.335 1.00 0.00 O ATOM 449 OD2 ASP A 36 -12.385 -10.871 6.308 1.00 0.00 O ATOM 0 H ASP A 36 -9.627 -9.734 2.262 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.389 -11.717 4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.018 -9.644 4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.992 -10.552 3.452 1.00 0.00 H new ATOM 454 N ALA A 37 -10.268 -13.614 3.099 1.00 0.00 N ATOM 455 CA ALA A 37 -10.595 -14.753 2.248 1.00 0.00 C ATOM 456 C ALA A 37 -11.569 -15.697 2.945 1.00 0.00 C ATOM 457 O ALA A 37 -11.321 -16.145 4.065 1.00 0.00 O ATOM 458 CB ALA A 37 -9.328 -15.495 1.851 1.00 0.00 C ATOM 0 H ALA A 37 -9.985 -13.863 4.047 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.079 -14.376 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.586 -16.343 1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.667 -14.821 1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.821 -15.854 2.747 1.00 0.00 H new ATOM 464 N LYS A 38 -12.677 -15.994 2.276 1.00 0.00 N ATOM 465 CA LYS A 38 -13.689 -16.887 2.830 1.00 0.00 C ATOM 466 C LYS A 38 -13.962 -18.053 1.884 1.00 0.00 C ATOM 467 O LYS A 38 -14.038 -19.206 2.309 1.00 0.00 O ATOM 468 CB LYS A 38 -14.985 -16.119 3.097 1.00 0.00 C ATOM 469 CG LYS A 38 -15.479 -15.326 1.900 1.00 0.00 C ATOM 470 CD LYS A 38 -16.781 -14.604 2.208 1.00 0.00 C ATOM 471 CE LYS A 38 -17.101 -13.557 1.152 1.00 0.00 C ATOM 472 NZ LYS A 38 -18.316 -12.770 1.501 1.00 0.00 N ATOM 0 H LYS A 38 -12.898 -15.630 1.349 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.310 -17.286 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.759 -16.824 3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.828 -15.438 3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.721 -14.601 1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.625 -15.997 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.595 -15.327 2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.711 -14.127 3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.252 -12.883 1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.249 -14.046 0.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.500 -12.067 0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.132 -13.409 1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.165 -12.283 2.407 1.00 0.00 H new ATOM 486 N THR A 39 -14.109 -17.745 0.600 1.00 0.00 N ATOM 487 CA THR A 39 -14.374 -18.767 -0.405 1.00 0.00 C ATOM 488 C THR A 39 -13.243 -18.841 -1.426 1.00 0.00 C ATOM 489 O THR A 39 -13.023 -19.879 -2.047 1.00 0.00 O ATOM 490 CB THR A 39 -15.699 -18.500 -1.144 1.00 0.00 C ATOM 491 OG1 THR A 39 -15.976 -19.567 -2.055 1.00 0.00 O ATOM 492 CG2 THR A 39 -15.639 -17.182 -1.901 1.00 0.00 C ATOM 0 H THR A 39 -14.049 -16.796 0.231 1.00 0.00 H new ATOM 0 HA THR A 39 -14.447 -19.717 0.124 1.00 0.00 H new ATOM 0 HB THR A 39 -16.497 -18.440 -0.404 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.821 -19.390 -2.519 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.585 -17.014 -2.415 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.458 -16.368 -1.200 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.831 -17.218 -2.631 1.00 0.00 H new ATOM 500 N ALA A 40 -12.529 -17.732 -1.591 1.00 0.00 N ATOM 501 CA ALA A 40 -11.418 -17.673 -2.535 1.00 0.00 C ATOM 502 C ALA A 40 -10.676 -19.004 -2.593 1.00 0.00 C ATOM 503 O ALA A 40 -10.358 -19.502 -3.672 1.00 0.00 O ATOM 504 CB ALA A 40 -10.465 -16.551 -2.156 1.00 0.00 C ATOM 0 H ALA A 40 -12.699 -16.863 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.824 -17.471 -3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.641 -16.518 -2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.998 -15.600 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.073 -16.730 -1.155 1.00 0.00 H new ATOM 510 N GLY A 41 -10.401 -19.575 -1.423 1.00 0.00 N ATOM 511 CA GLY A 41 -9.697 -20.842 -1.364 1.00 0.00 C ATOM 512 C GLY A 41 -8.301 -20.703 -0.792 1.00 0.00 C ATOM 513 O GLY A 41 -8.127 -20.241 0.336 1.00 0.00 O ATOM 0 H GLY A 41 -10.653 -19.182 -0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.268 -21.543 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.635 -21.267 -2.366 1.00 0.00 H new ATOM 517 N LYS A 42 -7.301 -21.106 -1.570 1.00 0.00 N ATOM 518 CA LYS A 42 -5.911 -21.025 -1.134 1.00 0.00 C ATOM 519 C LYS A 42 -5.082 -20.198 -2.112 1.00 0.00 C ATOM 520 O LYS A 42 -5.316 -20.230 -3.320 1.00 0.00 O ATOM 521 CB LYS A 42 -5.315 -22.427 -1.001 1.00 0.00 C ATOM 522 CG LYS A 42 -3.820 -22.430 -0.736 1.00 0.00 C ATOM 523 CD LYS A 42 -3.320 -23.817 -0.370 1.00 0.00 C ATOM 524 CE LYS A 42 -3.522 -24.112 1.108 1.00 0.00 C ATOM 525 NZ LYS A 42 -3.270 -25.544 1.428 1.00 0.00 N ATOM 0 H LYS A 42 -7.427 -21.492 -2.506 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.889 -20.534 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.820 -22.952 -0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.514 -22.986 -1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.292 -22.074 -1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.592 -21.735 0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.846 -24.563 -0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.262 -23.900 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.853 -23.485 1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.540 -23.850 1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.418 -25.704 2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.925 -26.142 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.290 -25.788 1.178 1.00 0.00 H new ATOM 539 N GLY A 43 -4.111 -19.461 -1.582 1.00 0.00 N ATOM 540 CA GLY A 43 -3.262 -18.638 -2.422 1.00 0.00 C ATOM 541 C GLY A 43 -2.556 -17.546 -1.642 1.00 0.00 C ATOM 542 O GLY A 43 -2.956 -17.213 -0.527 1.00 0.00 O ATOM 0 H GLY A 43 -3.897 -19.419 -0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.520 -19.269 -2.911 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.865 -18.186 -3.210 1.00 0.00 H new ATOM 546 N LYS A 44 -1.502 -16.989 -2.228 1.00 0.00 N ATOM 547 CA LYS A 44 -0.737 -15.929 -1.582 1.00 0.00 C ATOM 548 C LYS A 44 -1.133 -14.561 -2.129 1.00 0.00 C ATOM 549 O LYS A 44 -1.501 -14.432 -3.297 1.00 0.00 O ATOM 550 CB LYS A 44 0.762 -16.157 -1.785 1.00 0.00 C ATOM 551 CG LYS A 44 1.299 -17.368 -1.041 1.00 0.00 C ATOM 552 CD LYS A 44 1.040 -18.653 -1.809 1.00 0.00 C ATOM 553 CE LYS A 44 2.168 -18.960 -2.781 1.00 0.00 C ATOM 554 NZ LYS A 44 1.743 -19.912 -3.844 1.00 0.00 N ATOM 0 H LYS A 44 -1.157 -17.254 -3.151 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.960 -15.953 -0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.962 -16.277 -2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.304 -15.270 -1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.370 -17.250 -0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.831 -17.430 -0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.927 -19.480 -1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.101 -18.568 -2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.513 -18.034 -3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.013 -19.379 -2.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.541 -20.095 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.438 -20.805 -3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.953 -19.502 -4.382 1.00 0.00 H new ATOM 568 N VAL A 45 -1.055 -13.543 -1.278 1.00 0.00 N ATOM 569 CA VAL A 45 -1.403 -12.185 -1.678 1.00 0.00 C ATOM 570 C VAL A 45 -0.176 -11.280 -1.671 1.00 0.00 C ATOM 571 O VAL A 45 0.520 -11.164 -0.662 1.00 0.00 O ATOM 572 CB VAL A 45 -2.476 -11.584 -0.750 1.00 0.00 C ATOM 573 CG1 VAL A 45 -2.801 -10.157 -1.163 1.00 0.00 C ATOM 574 CG2 VAL A 45 -3.728 -12.449 -0.755 1.00 0.00 C ATOM 0 H VAL A 45 -0.754 -13.633 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.802 -12.245 -2.691 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.082 -11.561 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.561 -9.749 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.900 -9.547 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.176 -10.151 -2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.476 -12.010 -0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.127 -12.506 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.479 -13.451 -0.406 1.00 0.00 H new ATOM 584 N THR A 46 0.083 -10.636 -2.805 1.00 0.00 N ATOM 585 CA THR A 46 1.227 -9.740 -2.931 1.00 0.00 C ATOM 586 C THR A 46 0.776 -8.303 -3.162 1.00 0.00 C ATOM 587 O THR A 46 -0.154 -8.050 -3.929 1.00 0.00 O ATOM 588 CB THR A 46 2.150 -10.169 -4.087 1.00 0.00 C ATOM 589 OG1 THR A 46 1.413 -10.213 -5.313 1.00 0.00 O ATOM 590 CG2 THR A 46 2.768 -11.532 -3.811 1.00 0.00 C ATOM 0 H THR A 46 -0.484 -10.718 -3.649 1.00 0.00 H new ATOM 0 HA THR A 46 1.780 -9.798 -1.993 1.00 0.00 H new ATOM 0 HB THR A 46 2.952 -9.435 -4.172 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.008 -10.485 -6.043 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.416 -11.813 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.354 -11.487 -2.893 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.977 -12.274 -3.700 1.00 0.00 H new ATOM 598 N CYS A 47 1.440 -7.365 -2.495 1.00 0.00 N ATOM 599 CA CYS A 47 1.107 -5.952 -2.629 1.00 0.00 C ATOM 600 C CYS A 47 2.295 -5.162 -3.168 1.00 0.00 C ATOM 601 O CYS A 47 3.449 -5.492 -2.895 1.00 0.00 O ATOM 602 CB CYS A 47 0.669 -5.380 -1.278 1.00 0.00 C ATOM 603 SG CYS A 47 0.502 -3.580 -1.259 1.00 0.00 S ATOM 0 H CYS A 47 2.212 -7.558 -1.856 1.00 0.00 H new ATOM 0 HA CYS A 47 0.284 -5.863 -3.338 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.286 -5.826 -0.999 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.393 -5.675 -0.518 1.00 0.00 H new ATOM 0 HG CYS A 47 1.679 -3.034 -1.339 1.00 0.00 H new ATOM 609 N THR A 48 2.004 -4.117 -3.937 1.00 0.00 N ATOM 610 CA THR A 48 3.048 -3.282 -4.518 1.00 0.00 C ATOM 611 C THR A 48 2.605 -1.825 -4.597 1.00 0.00 C ATOM 612 O THR A 48 1.790 -1.458 -5.443 1.00 0.00 O ATOM 613 CB THR A 48 3.435 -3.765 -5.928 1.00 0.00 C ATOM 614 OG1 THR A 48 3.848 -5.135 -5.879 1.00 0.00 O ATOM 615 CG2 THR A 48 4.556 -2.914 -6.503 1.00 0.00 C ATOM 0 H THR A 48 1.054 -3.829 -4.172 1.00 0.00 H new ATOM 0 HA THR A 48 3.916 -3.361 -3.864 1.00 0.00 H new ATOM 0 HB THR A 48 2.561 -3.671 -6.573 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.091 -5.436 -6.779 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.812 -3.274 -7.499 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.229 -1.876 -6.565 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.431 -2.981 -5.857 1.00 0.00 H new ATOM 623 N VAL A 49 3.148 -0.997 -3.709 1.00 0.00 N ATOM 624 CA VAL A 49 2.810 0.421 -3.680 1.00 0.00 C ATOM 625 C VAL A 49 3.568 1.188 -4.757 1.00 0.00 C ATOM 626 O VAL A 49 4.794 1.294 -4.714 1.00 0.00 O ATOM 627 CB VAL A 49 3.122 1.044 -2.306 1.00 0.00 C ATOM 628 CG1 VAL A 49 2.741 2.515 -2.288 1.00 0.00 C ATOM 629 CG2 VAL A 49 2.402 0.284 -1.201 1.00 0.00 C ATOM 0 H VAL A 49 3.823 -1.284 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 49 1.739 0.496 -3.870 1.00 0.00 H new ATOM 0 HB VAL A 49 4.195 0.970 -2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.969 2.938 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.306 3.047 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.674 2.617 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.633 0.737 -0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.326 0.325 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.730 -0.756 -1.201 1.00 0.00 H new ATOM 639 N LEU A 50 2.829 1.723 -5.724 1.00 0.00 N ATOM 640 CA LEU A 50 3.432 2.483 -6.814 1.00 0.00 C ATOM 641 C LEU A 50 3.145 3.974 -6.661 1.00 0.00 C ATOM 642 O LEU A 50 2.001 4.413 -6.772 1.00 0.00 O ATOM 643 CB LEU A 50 2.901 1.986 -8.161 1.00 0.00 C ATOM 644 CG LEU A 50 3.801 2.242 -9.371 1.00 0.00 C ATOM 645 CD1 LEU A 50 3.490 1.255 -10.486 1.00 0.00 C ATOM 646 CD2 LEU A 50 3.639 3.673 -9.863 1.00 0.00 C ATOM 0 H LEU A 50 1.813 1.645 -5.775 1.00 0.00 H new ATOM 0 HA LEU A 50 4.511 2.333 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.723 0.913 -8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.935 2.457 -8.345 1.00 0.00 H new ATOM 0 HG LEU A 50 4.837 2.099 -9.065 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.140 1.452 -11.338 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.658 0.239 -10.130 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.449 1.366 -10.790 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.287 3.837 -10.724 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.602 3.843 -10.151 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.912 4.365 -9.066 1.00 0.00 H new ATOM 658 N THR A 51 4.196 4.748 -6.408 1.00 0.00 N ATOM 659 CA THR A 51 4.060 6.190 -6.241 1.00 0.00 C ATOM 660 C THR A 51 3.778 6.874 -7.574 1.00 0.00 C ATOM 661 O THR A 51 4.216 6.425 -8.634 1.00 0.00 O ATOM 662 CB THR A 51 5.328 6.806 -5.619 1.00 0.00 C ATOM 663 OG1 THR A 51 6.469 6.497 -6.426 1.00 0.00 O ATOM 664 CG2 THR A 51 5.543 6.287 -4.206 1.00 0.00 C ATOM 0 H THR A 51 5.150 4.401 -6.314 1.00 0.00 H new ATOM 0 HA THR A 51 3.218 6.352 -5.567 1.00 0.00 H new ATOM 0 HB THR A 51 5.197 7.887 -5.576 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.508 5.530 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.444 6.735 -3.787 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.685 6.550 -3.587 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.655 5.203 -4.230 1.00 0.00 H new ATOM 672 N PRO A 52 3.030 7.986 -7.523 1.00 0.00 N ATOM 673 CA PRO A 52 2.674 8.755 -8.719 1.00 0.00 C ATOM 674 C PRO A 52 3.876 9.474 -9.325 1.00 0.00 C ATOM 675 O PRO A 52 3.761 10.130 -10.360 1.00 0.00 O ATOM 676 CB PRO A 52 1.653 9.770 -8.197 1.00 0.00 C ATOM 677 CG PRO A 52 1.975 9.921 -6.750 1.00 0.00 C ATOM 678 CD PRO A 52 2.475 8.578 -6.295 1.00 0.00 C ATOM 0 HA PRO A 52 2.293 8.116 -9.516 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.736 10.721 -8.722 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.633 9.415 -8.341 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.731 10.691 -6.597 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.094 10.222 -6.183 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.233 8.674 -5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.671 7.968 -5.883 1.00 0.00 H new ATOM 686 N ASP A 53 5.027 9.344 -8.674 1.00 0.00 N ATOM 687 CA ASP A 53 6.250 9.979 -9.150 1.00 0.00 C ATOM 688 C ASP A 53 6.881 9.167 -10.276 1.00 0.00 C ATOM 689 O ASP A 53 7.525 9.719 -11.167 1.00 0.00 O ATOM 690 CB ASP A 53 7.247 10.140 -8.001 1.00 0.00 C ATOM 691 CG ASP A 53 7.060 11.444 -7.251 1.00 0.00 C ATOM 692 OD1 ASP A 53 5.904 11.770 -6.906 1.00 0.00 O ATOM 693 OD2 ASP A 53 8.068 12.139 -7.009 1.00 0.00 O ATOM 0 H ASP A 53 5.138 8.805 -7.815 1.00 0.00 H new ATOM 0 HA ASP A 53 5.991 10.964 -9.537 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.136 9.306 -7.308 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.262 10.093 -8.395 1.00 0.00 H new ATOM 698 N GLY A 54 6.691 7.851 -10.230 1.00 0.00 N ATOM 699 CA GLY A 54 7.249 6.985 -11.251 1.00 0.00 C ATOM 700 C GLY A 54 8.252 5.997 -10.688 1.00 0.00 C ATOM 701 O GLY A 54 9.147 5.538 -11.398 1.00 0.00 O ATOM 0 H GLY A 54 6.160 7.370 -9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.442 6.440 -11.741 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.733 7.594 -12.015 1.00 0.00 H new ATOM 705 N THR A 55 8.103 5.669 -9.410 1.00 0.00 N ATOM 706 CA THR A 55 9.004 4.731 -8.751 1.00 0.00 C ATOM 707 C THR A 55 8.227 3.677 -7.971 1.00 0.00 C ATOM 708 O THR A 55 7.062 3.878 -7.631 1.00 0.00 O ATOM 709 CB THR A 55 9.967 5.456 -7.793 1.00 0.00 C ATOM 710 OG1 THR A 55 9.224 6.219 -6.836 1.00 0.00 O ATOM 711 CG2 THR A 55 10.906 6.374 -8.561 1.00 0.00 C ATOM 0 H THR A 55 7.366 6.039 -8.809 1.00 0.00 H new ATOM 0 HA THR A 55 9.582 4.244 -9.536 1.00 0.00 H new ATOM 0 HB THR A 55 10.562 4.704 -7.275 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.265 6.070 -6.972 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.577 6.875 -7.863 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.491 5.786 -9.268 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.324 7.119 -9.103 1.00 0.00 H new ATOM 719 N GLU A 56 8.880 2.554 -7.691 1.00 0.00 N ATOM 720 CA GLU A 56 8.249 1.468 -6.950 1.00 0.00 C ATOM 721 C GLU A 56 8.613 1.534 -5.470 1.00 0.00 C ATOM 722 O GLU A 56 9.788 1.628 -5.113 1.00 0.00 O ATOM 723 CB GLU A 56 8.666 0.115 -7.529 1.00 0.00 C ATOM 724 CG GLU A 56 8.142 -0.134 -8.933 1.00 0.00 C ATOM 725 CD GLU A 56 9.050 -1.039 -9.743 1.00 0.00 C ATOM 726 OE1 GLU A 56 9.188 -2.224 -9.371 1.00 0.00 O ATOM 727 OE2 GLU A 56 9.622 -0.564 -10.746 1.00 0.00 O ATOM 0 H GLU A 56 9.845 2.372 -7.966 1.00 0.00 H new ATOM 0 HA GLU A 56 7.169 1.579 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.754 0.054 -7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.309 -0.678 -6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.150 -0.581 -8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.031 0.819 -9.450 1.00 0.00 H new ATOM 734 N ALA A 57 7.599 1.487 -4.613 1.00 0.00 N ATOM 735 CA ALA A 57 7.812 1.540 -3.172 1.00 0.00 C ATOM 736 C ALA A 57 7.672 0.157 -2.545 1.00 0.00 C ATOM 737 O ALA A 57 7.072 -0.742 -3.131 1.00 0.00 O ATOM 738 CB ALA A 57 6.836 2.514 -2.530 1.00 0.00 C ATOM 0 H ALA A 57 6.621 1.412 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 57 8.829 1.890 -2.992 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.006 2.544 -1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.987 3.509 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.815 2.188 -2.727 1.00 0.00 H new ATOM 744 N GLU A 58 8.231 -0.005 -1.350 1.00 0.00 N ATOM 745 CA GLU A 58 8.169 -1.280 -0.645 1.00 0.00 C ATOM 746 C GLU A 58 6.962 -1.327 0.289 1.00 0.00 C ATOM 747 O GLU A 58 6.623 -0.336 0.932 1.00 0.00 O ATOM 748 CB GLU A 58 9.455 -1.510 0.154 1.00 0.00 C ATOM 749 CG GLU A 58 10.711 -1.497 -0.699 1.00 0.00 C ATOM 750 CD GLU A 58 11.864 -2.238 -0.051 1.00 0.00 C ATOM 751 OE1 GLU A 58 11.675 -3.413 0.328 1.00 0.00 O ATOM 752 OE2 GLU A 58 12.955 -1.645 0.078 1.00 0.00 O ATOM 0 H GLU A 58 8.731 0.730 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 58 8.064 -2.072 -1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.539 -0.740 0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.386 -2.468 0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.493 -1.948 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.007 -0.465 -0.887 1.00 0.00 H new ATOM 759 N ALA A 59 6.319 -2.488 0.354 1.00 0.00 N ATOM 760 CA ALA A 59 5.151 -2.666 1.209 1.00 0.00 C ATOM 761 C ALA A 59 5.306 -3.893 2.102 1.00 0.00 C ATOM 762 O ALA A 59 5.485 -5.010 1.614 1.00 0.00 O ATOM 763 CB ALA A 59 3.891 -2.783 0.363 1.00 0.00 C ATOM 0 H ALA A 59 6.586 -3.319 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 59 5.065 -1.790 1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.027 -2.916 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.764 -1.876 -0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.978 -3.641 -0.303 1.00 0.00 H new ATOM 769 N ASP A 60 5.236 -3.678 3.410 1.00 0.00 N ATOM 770 CA ASP A 60 5.369 -4.767 4.371 1.00 0.00 C ATOM 771 C ASP A 60 4.155 -5.690 4.319 1.00 0.00 C ATOM 772 O ASP A 60 3.050 -5.303 4.703 1.00 0.00 O ATOM 773 CB ASP A 60 5.539 -4.209 5.785 1.00 0.00 C ATOM 774 CG ASP A 60 6.517 -3.052 5.837 1.00 0.00 C ATOM 775 OD1 ASP A 60 6.156 -1.949 5.374 1.00 0.00 O ATOM 776 OD2 ASP A 60 7.642 -3.248 6.342 1.00 0.00 O ATOM 0 H ASP A 60 5.088 -2.760 3.830 1.00 0.00 H new ATOM 0 HA ASP A 60 6.254 -5.345 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.571 -3.879 6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.885 -5.003 6.447 1.00 0.00 H new ATOM 781 N VAL A 61 4.366 -6.911 3.839 1.00 0.00 N ATOM 782 CA VAL A 61 3.291 -7.889 3.734 1.00 0.00 C ATOM 783 C VAL A 61 3.420 -8.964 4.808 1.00 0.00 C ATOM 784 O VAL A 61 4.319 -9.804 4.755 1.00 0.00 O ATOM 785 CB VAL A 61 3.276 -8.563 2.349 1.00 0.00 C ATOM 786 CG1 VAL A 61 2.120 -9.545 2.246 1.00 0.00 C ATOM 787 CG2 VAL A 61 3.197 -7.514 1.249 1.00 0.00 C ATOM 0 H VAL A 61 5.274 -7.247 3.516 1.00 0.00 H new ATOM 0 HA VAL A 61 2.356 -7.347 3.875 1.00 0.00 H new ATOM 0 HB VAL A 61 4.205 -9.119 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.125 -10.011 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.226 -10.313 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.179 -9.015 2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.187 -8.006 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.285 -6.929 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.062 -6.854 1.313 1.00 0.00 H new ATOM 797 N ILE A 62 2.515 -8.931 5.782 1.00 0.00 N ATOM 798 CA ILE A 62 2.528 -9.905 6.867 1.00 0.00 C ATOM 799 C ILE A 62 1.442 -10.958 6.673 1.00 0.00 C ATOM 800 O ILE A 62 0.251 -10.659 6.765 1.00 0.00 O ATOM 801 CB ILE A 62 2.329 -9.224 8.234 1.00 0.00 C ATOM 802 CG1 ILE A 62 3.433 -8.194 8.481 1.00 0.00 C ATOM 803 CG2 ILE A 62 2.309 -10.264 9.345 1.00 0.00 C ATOM 804 CD1 ILE A 62 3.171 -6.859 7.822 1.00 0.00 C ATOM 0 H ILE A 62 1.765 -8.242 5.842 1.00 0.00 H new ATOM 0 HA ILE A 62 3.505 -10.387 6.848 1.00 0.00 H new ATOM 0 HB ILE A 62 1.370 -8.706 8.230 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.546 -8.044 9.555 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.379 -8.592 8.114 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.168 -9.768 10.305 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.491 -10.963 9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.254 -10.807 9.353 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.994 -6.178 8.039 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.088 -6.996 6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.242 -6.439 8.207 1.00 0.00 H new ATOM 816 N GLU A 63 1.861 -12.191 6.407 1.00 0.00 N ATOM 817 CA GLU A 63 0.925 -13.288 6.201 1.00 0.00 C ATOM 818 C GLU A 63 0.385 -13.800 7.534 1.00 0.00 C ATOM 819 O GLU A 63 1.107 -13.852 8.528 1.00 0.00 O ATOM 820 CB GLU A 63 1.600 -14.430 5.440 1.00 0.00 C ATOM 821 CG GLU A 63 2.725 -15.097 6.215 1.00 0.00 C ATOM 822 CD GLU A 63 3.408 -16.195 5.423 1.00 0.00 C ATOM 823 OE1 GLU A 63 2.705 -16.941 4.713 1.00 0.00 O ATOM 824 OE2 GLU A 63 4.649 -16.305 5.514 1.00 0.00 O ATOM 0 H GLU A 63 2.843 -12.455 6.329 1.00 0.00 H new ATOM 0 HA GLU A 63 0.090 -12.912 5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.850 -15.180 5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.996 -14.045 4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.462 -14.345 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.326 -15.515 7.139 1.00 0.00 H new ATOM 831 N ASN A 64 -0.890 -14.177 7.545 1.00 0.00 N ATOM 832 CA ASN A 64 -1.527 -14.683 8.755 1.00 0.00 C ATOM 833 C ASN A 64 -1.968 -16.133 8.571 1.00 0.00 C ATOM 834 O ASN A 64 -2.074 -16.621 7.448 1.00 0.00 O ATOM 835 CB ASN A 64 -2.731 -13.815 9.124 1.00 0.00 C ATOM 836 CG ASN A 64 -2.353 -12.656 10.027 1.00 0.00 C ATOM 837 OD1 ASN A 64 -2.387 -12.773 11.252 1.00 0.00 O ATOM 838 ND2 ASN A 64 -1.991 -11.530 9.423 1.00 0.00 N ATOM 0 H ASN A 64 -1.502 -14.141 6.730 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.798 -14.643 9.564 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.189 -13.428 8.214 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.480 -14.430 9.622 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.726 -10.716 9.978 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.978 -11.479 8.404 1.00 0.00 H new ATOM 845 N GLU A 65 -2.223 -16.813 9.684 1.00 0.00 N ATOM 846 CA GLU A 65 -2.651 -18.206 9.646 1.00 0.00 C ATOM 847 C GLU A 65 -4.174 -18.306 9.605 1.00 0.00 C ATOM 848 O GLU A 65 -4.745 -19.364 9.871 1.00 0.00 O ATOM 849 CB GLU A 65 -2.114 -18.963 10.862 1.00 0.00 C ATOM 850 CG GLU A 65 -0.597 -18.962 10.957 1.00 0.00 C ATOM 851 CD GLU A 65 -0.081 -19.864 12.061 1.00 0.00 C ATOM 852 OE1 GLU A 65 -0.306 -21.090 11.980 1.00 0.00 O ATOM 853 OE2 GLU A 65 0.547 -19.345 13.008 1.00 0.00 O ATOM 0 H GLU A 65 -2.141 -16.422 10.623 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.248 -18.657 8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.527 -18.519 11.768 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.467 -19.994 10.823 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.177 -19.284 10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.248 -17.944 11.132 1.00 0.00 H new ATOM 860 N ASP A 66 -4.824 -17.197 9.269 1.00 0.00 N ATOM 861 CA ASP A 66 -6.280 -17.158 9.192 1.00 0.00 C ATOM 862 C ASP A 66 -6.740 -16.767 7.791 1.00 0.00 C ATOM 863 O ASP A 66 -7.819 -16.203 7.616 1.00 0.00 O ATOM 864 CB ASP A 66 -6.840 -16.173 10.220 1.00 0.00 C ATOM 865 CG ASP A 66 -6.462 -16.541 11.641 1.00 0.00 C ATOM 866 OD1 ASP A 66 -7.056 -17.495 12.185 1.00 0.00 O ATOM 867 OD2 ASP A 66 -5.571 -15.876 12.208 1.00 0.00 O ATOM 0 H ASP A 66 -4.366 -16.313 9.046 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.658 -18.156 9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.472 -15.172 9.997 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.926 -16.140 10.133 1.00 0.00 H new ATOM 872 N GLY A 67 -5.912 -17.070 6.796 1.00 0.00 N ATOM 873 CA GLY A 67 -6.250 -16.741 5.423 1.00 0.00 C ATOM 874 C GLY A 67 -6.391 -15.248 5.202 1.00 0.00 C ATOM 875 O GLY A 67 -7.370 -14.789 4.614 1.00 0.00 O ATOM 0 H GLY A 67 -5.013 -17.537 6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.479 -17.132 4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.184 -17.235 5.154 1.00 0.00 H new ATOM 879 N THR A 68 -5.409 -14.486 5.676 1.00 0.00 N ATOM 880 CA THR A 68 -5.428 -13.037 5.529 1.00 0.00 C ATOM 881 C THR A 68 -4.014 -12.476 5.422 1.00 0.00 C ATOM 882 O THR A 68 -3.052 -13.107 5.860 1.00 0.00 O ATOM 883 CB THR A 68 -6.147 -12.362 6.712 1.00 0.00 C ATOM 884 OG1 THR A 68 -5.565 -12.791 7.948 1.00 0.00 O ATOM 885 CG2 THR A 68 -7.632 -12.694 6.703 1.00 0.00 C ATOM 0 H THR A 68 -4.591 -14.850 6.165 1.00 0.00 H new ATOM 0 HA THR A 68 -5.973 -12.820 4.610 1.00 0.00 H new ATOM 0 HB THR A 68 -6.031 -11.283 6.611 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.026 -12.356 8.695 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.119 -12.206 7.548 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.078 -12.341 5.773 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.764 -13.773 6.782 1.00 0.00 H new ATOM 893 N TYR A 69 -3.897 -11.290 4.837 1.00 0.00 N ATOM 894 CA TYR A 69 -2.600 -10.645 4.670 1.00 0.00 C ATOM 895 C TYR A 69 -2.669 -9.172 5.061 1.00 0.00 C ATOM 896 O TYR A 69 -3.401 -8.391 4.454 1.00 0.00 O ATOM 897 CB TYR A 69 -2.122 -10.778 3.223 1.00 0.00 C ATOM 898 CG TYR A 69 -1.488 -12.116 2.916 1.00 0.00 C ATOM 899 CD1 TYR A 69 -2.248 -13.279 2.897 1.00 0.00 C ATOM 900 CD2 TYR A 69 -0.129 -12.217 2.645 1.00 0.00 C ATOM 901 CE1 TYR A 69 -1.673 -14.504 2.618 1.00 0.00 C ATOM 902 CE2 TYR A 69 0.454 -13.436 2.362 1.00 0.00 C ATOM 903 CZ TYR A 69 -0.321 -14.577 2.350 1.00 0.00 C ATOM 904 OH TYR A 69 0.256 -15.795 2.071 1.00 0.00 O ATOM 0 H TYR A 69 -4.684 -10.755 4.470 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.888 -11.144 5.328 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -2.969 -10.624 2.554 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.402 -9.987 3.013 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.307 -13.225 3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.482 -11.326 2.656 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.278 -15.399 2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.512 -13.496 2.151 1.00 0.00 H new ATOM 0 HH TYR A 69 1.214 -15.673 1.904 1.00 0.00 H new ATOM 914 N ASP A 70 -1.901 -8.800 6.079 1.00 0.00 N ATOM 915 CA ASP A 70 -1.873 -7.421 6.551 1.00 0.00 C ATOM 916 C ASP A 70 -0.766 -6.631 5.859 1.00 0.00 C ATOM 917 O ASP A 70 0.391 -7.053 5.839 1.00 0.00 O ATOM 918 CB ASP A 70 -1.671 -7.382 8.067 1.00 0.00 C ATOM 919 CG ASP A 70 -2.926 -7.765 8.827 1.00 0.00 C ATOM 920 OD1 ASP A 70 -3.225 -8.975 8.908 1.00 0.00 O ATOM 921 OD2 ASP A 70 -3.608 -6.855 9.343 1.00 0.00 O ATOM 0 H ASP A 70 -1.290 -9.434 6.593 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.831 -6.961 6.307 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.863 -8.060 8.341 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.361 -6.380 8.364 1.00 0.00 H new ATOM 926 N ILE A 71 -1.129 -5.485 5.292 1.00 0.00 N ATOM 927 CA ILE A 71 -0.167 -4.639 4.598 1.00 0.00 C ATOM 928 C ILE A 71 -0.280 -3.190 5.058 1.00 0.00 C ATOM 929 O ILE A 71 -1.376 -2.692 5.319 1.00 0.00 O ATOM 930 CB ILE A 71 -0.362 -4.699 3.072 1.00 0.00 C ATOM 931 CG1 ILE A 71 -0.323 -6.149 2.587 1.00 0.00 C ATOM 932 CG2 ILE A 71 0.703 -3.870 2.369 1.00 0.00 C ATOM 933 CD1 ILE A 71 -1.165 -6.397 1.355 1.00 0.00 C ATOM 0 H ILE A 71 -2.082 -5.122 5.300 1.00 0.00 H new ATOM 0 HA ILE A 71 0.824 -5.020 4.843 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.339 -4.281 2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.710 -6.424 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.667 -6.801 3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.552 -3.922 1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.631 -2.833 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.690 -4.260 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.090 -7.446 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.205 -6.154 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.807 -5.771 0.538 1.00 0.00 H new ATOM 945 N PHE A 72 0.861 -2.514 5.153 1.00 0.00 N ATOM 946 CA PHE A 72 0.891 -1.121 5.581 1.00 0.00 C ATOM 947 C PHE A 72 1.823 -0.299 4.694 1.00 0.00 C ATOM 948 O PHE A 72 2.803 -0.816 4.159 1.00 0.00 O ATOM 949 CB PHE A 72 1.339 -1.022 7.041 1.00 0.00 C ATOM 950 CG PHE A 72 0.688 -2.034 7.937 1.00 0.00 C ATOM 951 CD1 PHE A 72 1.091 -3.360 7.918 1.00 0.00 C ATOM 952 CD2 PHE A 72 -0.330 -1.661 8.801 1.00 0.00 C ATOM 953 CE1 PHE A 72 0.493 -4.294 8.742 1.00 0.00 C ATOM 954 CE2 PHE A 72 -0.932 -2.591 9.628 1.00 0.00 C ATOM 955 CZ PHE A 72 -0.520 -3.909 9.598 1.00 0.00 C ATOM 0 H PHE A 72 1.777 -2.909 4.939 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.118 -0.718 5.490 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.421 -1.148 7.090 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.117 -0.022 7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.883 -3.667 7.251 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.657 -0.632 8.828 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.817 -5.324 8.717 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.724 -2.287 10.297 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.989 -4.637 10.243 1.00 0.00 H new ATOM 965 N TYR A 73 1.510 0.982 4.544 1.00 0.00 N ATOM 966 CA TYR A 73 2.317 1.875 3.720 1.00 0.00 C ATOM 967 C TYR A 73 2.042 3.334 4.069 1.00 0.00 C ATOM 968 O TYR A 73 1.052 3.654 4.730 1.00 0.00 O ATOM 969 CB TYR A 73 2.032 1.631 2.238 1.00 0.00 C ATOM 970 CG TYR A 73 0.742 2.258 1.757 1.00 0.00 C ATOM 971 CD1 TYR A 73 0.673 3.616 1.469 1.00 0.00 C ATOM 972 CD2 TYR A 73 -0.405 1.493 1.589 1.00 0.00 C ATOM 973 CE1 TYR A 73 -0.503 4.193 1.031 1.00 0.00 C ATOM 974 CE2 TYR A 73 -1.585 2.062 1.150 1.00 0.00 C ATOM 975 CZ TYR A 73 -1.629 3.413 0.873 1.00 0.00 C ATOM 976 OH TYR A 73 -2.802 3.984 0.435 1.00 0.00 O ATOM 0 H TYR A 73 0.703 1.426 4.982 1.00 0.00 H new ATOM 0 HA TYR A 73 3.367 1.664 3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.860 2.025 1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.994 0.557 2.056 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.553 4.230 1.590 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.374 0.435 1.805 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.540 5.250 0.813 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.468 1.453 1.024 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.503 3.300 0.392 1.00 0.00 H new ATOM 986 N THR A 74 2.926 4.220 3.620 1.00 0.00 N ATOM 987 CA THR A 74 2.781 5.646 3.883 1.00 0.00 C ATOM 988 C THR A 74 2.907 6.459 2.599 1.00 0.00 C ATOM 989 O THR A 74 3.639 6.082 1.684 1.00 0.00 O ATOM 990 CB THR A 74 3.833 6.140 4.894 1.00 0.00 C ATOM 991 OG1 THR A 74 3.894 5.248 6.012 1.00 0.00 O ATOM 992 CG2 THR A 74 3.502 7.545 5.376 1.00 0.00 C ATOM 0 H THR A 74 3.750 3.974 3.072 1.00 0.00 H new ATOM 0 HA THR A 74 1.786 5.789 4.304 1.00 0.00 H new ATOM 0 HB THR A 74 4.802 6.163 4.395 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.566 5.568 6.649 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.259 7.873 6.089 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.485 8.227 4.526 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.525 7.543 5.859 1.00 0.00 H new ATOM 1000 N ALA A 75 2.189 7.575 2.537 1.00 0.00 N ATOM 1001 CA ALA A 75 2.224 8.442 1.366 1.00 0.00 C ATOM 1002 C ALA A 75 2.982 9.731 1.658 1.00 0.00 C ATOM 1003 O ALA A 75 2.409 10.702 2.150 1.00 0.00 O ATOM 1004 CB ALA A 75 0.809 8.753 0.899 1.00 0.00 C ATOM 0 H ALA A 75 1.576 7.900 3.284 1.00 0.00 H new ATOM 0 HA ALA A 75 2.751 7.916 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.849 9.401 0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.299 7.825 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.264 9.256 1.698 1.00 0.00 H new ATOM 1010 N ALA A 76 4.276 9.733 1.354 1.00 0.00 N ATOM 1011 CA ALA A 76 5.113 10.903 1.584 1.00 0.00 C ATOM 1012 C ALA A 76 4.551 12.128 0.871 1.00 0.00 C ATOM 1013 O ALA A 76 4.505 13.222 1.436 1.00 0.00 O ATOM 1014 CB ALA A 76 6.538 10.632 1.125 1.00 0.00 C ATOM 0 H ALA A 76 4.767 8.937 0.948 1.00 0.00 H new ATOM 0 HA ALA A 76 5.121 11.108 2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.152 11.515 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.946 9.788 1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.539 10.398 0.060 1.00 0.00 H new ATOM 1020 N LYS A 77 4.125 11.941 -0.373 1.00 0.00 N ATOM 1021 CA LYS A 77 3.565 13.030 -1.164 1.00 0.00 C ATOM 1022 C LYS A 77 2.215 12.635 -1.755 1.00 0.00 C ATOM 1023 O LYS A 77 1.973 11.476 -2.091 1.00 0.00 O ATOM 1024 CB LYS A 77 4.529 13.422 -2.285 1.00 0.00 C ATOM 1025 CG LYS A 77 5.905 13.833 -1.788 1.00 0.00 C ATOM 1026 CD LYS A 77 6.930 13.818 -2.910 1.00 0.00 C ATOM 1027 CE LYS A 77 8.348 13.718 -2.368 1.00 0.00 C ATOM 1028 NZ LYS A 77 8.718 14.913 -1.561 1.00 0.00 N ATOM 0 H LYS A 77 4.157 11.043 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 77 3.417 13.885 -0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.636 12.582 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.096 14.245 -2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.853 14.832 -1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.223 13.157 -0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.733 12.976 -3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.831 14.724 -3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.440 12.822 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.047 13.609 -3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.708 14.830 -1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.606 15.770 -2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.099 14.974 -0.727 1.00 0.00 H new ATOM 1042 N PRO A 78 1.314 13.621 -1.886 1.00 0.00 N ATOM 1043 CA PRO A 78 -0.025 13.400 -2.440 1.00 0.00 C ATOM 1044 C PRO A 78 0.007 13.097 -3.933 1.00 0.00 C ATOM 1045 O PRO A 78 0.995 13.375 -4.612 1.00 0.00 O ATOM 1046 CB PRO A 78 -0.739 14.729 -2.179 1.00 0.00 C ATOM 1047 CG PRO A 78 0.354 15.738 -2.105 1.00 0.00 C ATOM 1048 CD PRO A 78 1.535 15.026 -1.507 1.00 0.00 C ATOM 0 HA PRO A 78 -0.517 12.539 -1.987 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.442 14.964 -2.978 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.311 14.696 -1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.593 16.127 -3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.059 16.589 -1.490 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.476 15.406 -1.904 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.573 15.149 -0.425 1.00 0.00 H new ATOM 1056 N GLY A 79 -1.081 12.524 -4.441 1.00 0.00 N ATOM 1057 CA GLY A 79 -1.156 12.194 -5.852 1.00 0.00 C ATOM 1058 C GLY A 79 -2.022 10.978 -6.117 1.00 0.00 C ATOM 1059 O GLY A 79 -2.987 10.723 -5.396 1.00 0.00 O ATOM 0 H GLY A 79 -1.911 12.283 -3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.555 13.047 -6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.151 12.011 -6.233 1.00 0.00 H new ATOM 1063 N THR A 80 -1.678 10.224 -7.156 1.00 0.00 N ATOM 1064 CA THR A 80 -2.432 9.030 -7.516 1.00 0.00 C ATOM 1065 C THR A 80 -1.578 7.775 -7.368 1.00 0.00 C ATOM 1066 O THR A 80 -0.767 7.459 -8.240 1.00 0.00 O ATOM 1067 CB THR A 80 -2.957 9.112 -8.961 1.00 0.00 C ATOM 1068 OG1 THR A 80 -3.715 10.315 -9.140 1.00 0.00 O ATOM 1069 CG2 THR A 80 -3.826 7.907 -9.291 1.00 0.00 C ATOM 0 H THR A 80 -0.882 10.419 -7.763 1.00 0.00 H new ATOM 0 HA THR A 80 -3.279 8.973 -6.832 1.00 0.00 H new ATOM 0 HB THR A 80 -2.100 9.118 -9.635 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.388 10.386 -8.431 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.185 7.987 -10.317 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.239 6.995 -9.182 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.677 7.875 -8.610 1.00 0.00 H new ATOM 1077 N TYR A 81 -1.767 7.063 -6.263 1.00 0.00 N ATOM 1078 CA TYR A 81 -1.012 5.843 -6.001 1.00 0.00 C ATOM 1079 C TYR A 81 -1.694 4.634 -6.635 1.00 0.00 C ATOM 1080 O TYR A 81 -2.909 4.626 -6.833 1.00 0.00 O ATOM 1081 CB TYR A 81 -0.860 5.626 -4.494 1.00 0.00 C ATOM 1082 CG TYR A 81 0.155 6.542 -3.850 1.00 0.00 C ATOM 1083 CD1 TYR A 81 0.002 7.923 -3.896 1.00 0.00 C ATOM 1084 CD2 TYR A 81 1.267 6.028 -3.196 1.00 0.00 C ATOM 1085 CE1 TYR A 81 0.926 8.764 -3.309 1.00 0.00 C ATOM 1086 CE2 TYR A 81 2.197 6.862 -2.605 1.00 0.00 C ATOM 1087 CZ TYR A 81 2.022 8.229 -2.665 1.00 0.00 C ATOM 1088 OH TYR A 81 2.946 9.063 -2.079 1.00 0.00 O ATOM 0 H TYR A 81 -2.437 7.309 -5.534 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.023 5.954 -6.446 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.827 5.775 -4.015 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.570 4.591 -4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.855 8.345 -4.400 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.407 4.958 -3.148 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.791 9.835 -3.354 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.056 6.446 -2.099 1.00 0.00 H new ATOM 0 HH TYR A 81 2.806 9.980 -2.395 1.00 0.00 H new ATOM 1098 N VAL A 82 -0.903 3.614 -6.949 1.00 0.00 N ATOM 1099 CA VAL A 82 -1.428 2.398 -7.559 1.00 0.00 C ATOM 1100 C VAL A 82 -0.974 1.160 -6.795 1.00 0.00 C ATOM 1101 O VAL A 82 0.211 0.825 -6.783 1.00 0.00 O ATOM 1102 CB VAL A 82 -0.987 2.271 -9.029 1.00 0.00 C ATOM 1103 CG1 VAL A 82 -1.478 0.959 -9.623 1.00 0.00 C ATOM 1104 CG2 VAL A 82 -1.492 3.455 -9.841 1.00 0.00 C ATOM 0 H VAL A 82 0.105 3.605 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.515 2.468 -7.519 1.00 0.00 H new ATOM 0 HB VAL A 82 0.102 2.273 -9.064 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.157 0.887 -10.662 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.063 0.125 -9.057 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.566 0.923 -9.576 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.171 3.349 -10.877 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.581 3.487 -9.800 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.086 4.379 -9.428 1.00 0.00 H new ATOM 1114 N ILE A 83 -1.923 0.484 -6.157 1.00 0.00 N ATOM 1115 CA ILE A 83 -1.621 -0.718 -5.391 1.00 0.00 C ATOM 1116 C ILE A 83 -2.020 -1.974 -6.159 1.00 0.00 C ATOM 1117 O ILE A 83 -3.190 -2.166 -6.490 1.00 0.00 O ATOM 1118 CB ILE A 83 -2.339 -0.715 -4.029 1.00 0.00 C ATOM 1119 CG1 ILE A 83 -1.955 0.532 -3.230 1.00 0.00 C ATOM 1120 CG2 ILE A 83 -2.001 -1.976 -3.248 1.00 0.00 C ATOM 1121 CD1 ILE A 83 -2.886 0.820 -2.073 1.00 0.00 C ATOM 0 H ILE A 83 -2.908 0.749 -6.156 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.544 -0.722 -5.224 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.415 -0.697 -4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.941 0.411 -2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.943 1.393 -3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.516 -1.958 -2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.319 -2.851 -3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.925 -2.023 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.552 1.718 -1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.897 0.973 -2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.880 -0.023 -1.382 1.00 0.00 H new ATOM 1133 N TYR A 84 -1.041 -2.828 -6.438 1.00 0.00 N ATOM 1134 CA TYR A 84 -1.288 -4.065 -7.168 1.00 0.00 C ATOM 1135 C TYR A 84 -1.510 -5.229 -6.207 1.00 0.00 C ATOM 1136 O TYR A 84 -0.658 -5.528 -5.370 1.00 0.00 O ATOM 1137 CB TYR A 84 -0.117 -4.375 -8.102 1.00 0.00 C ATOM 1138 CG TYR A 84 0.016 -3.401 -9.251 1.00 0.00 C ATOM 1139 CD1 TYR A 84 -1.025 -3.214 -10.152 1.00 0.00 C ATOM 1140 CD2 TYR A 84 1.181 -2.668 -9.436 1.00 0.00 C ATOM 1141 CE1 TYR A 84 -0.908 -2.326 -11.205 1.00 0.00 C ATOM 1142 CE2 TYR A 84 1.306 -1.776 -10.483 1.00 0.00 C ATOM 1143 CZ TYR A 84 0.259 -1.609 -11.365 1.00 0.00 C ATOM 1144 OH TYR A 84 0.380 -0.724 -12.411 1.00 0.00 O ATOM 0 H TYR A 84 -0.068 -2.685 -6.169 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.191 -3.931 -7.763 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.808 -4.371 -7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.239 -5.381 -8.502 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.941 -3.772 -10.028 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.004 -2.798 -8.749 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.726 -2.195 -11.898 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.218 -1.212 -10.610 1.00 0.00 H new ATOM 0 HH TYR A 84 1.263 -0.300 -12.380 1.00 0.00 H new ATOM 1154 N VAL A 85 -2.660 -5.882 -6.334 1.00 0.00 N ATOM 1155 CA VAL A 85 -2.994 -7.015 -5.479 1.00 0.00 C ATOM 1156 C VAL A 85 -3.271 -8.266 -6.307 1.00 0.00 C ATOM 1157 O VAL A 85 -4.184 -8.287 -7.131 1.00 0.00 O ATOM 1158 CB VAL A 85 -4.222 -6.712 -4.601 1.00 0.00 C ATOM 1159 CG1 VAL A 85 -4.313 -7.703 -3.449 1.00 0.00 C ATOM 1160 CG2 VAL A 85 -4.168 -5.284 -4.082 1.00 0.00 C ATOM 0 H VAL A 85 -3.376 -5.646 -7.021 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.132 -7.192 -4.836 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.118 -6.818 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.187 -7.473 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.403 -8.714 -3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.414 -7.632 -2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.044 -5.088 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.265 -5.147 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.156 -4.591 -4.923 1.00 0.00 H new ATOM 1170 N ARG A 86 -2.474 -9.306 -6.080 1.00 0.00 N ATOM 1171 CA ARG A 86 -2.633 -10.561 -6.805 1.00 0.00 C ATOM 1172 C ARG A 86 -2.798 -11.730 -5.838 1.00 0.00 C ATOM 1173 O ARG A 86 -2.118 -11.803 -4.814 1.00 0.00 O ATOM 1174 CB ARG A 86 -1.429 -10.803 -7.716 1.00 0.00 C ATOM 1175 CG ARG A 86 -1.116 -12.275 -7.933 1.00 0.00 C ATOM 1176 CD ARG A 86 0.136 -12.459 -8.776 1.00 0.00 C ATOM 1177 NE ARG A 86 -0.166 -12.497 -10.204 1.00 0.00 N ATOM 1178 CZ ARG A 86 0.761 -12.618 -11.149 1.00 0.00 C ATOM 1179 NH1 ARG A 86 2.041 -12.714 -10.818 1.00 0.00 N ATOM 1180 NH2 ARG A 86 0.407 -12.644 -12.427 1.00 0.00 N ATOM 0 H ARG A 86 -1.713 -9.304 -5.401 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.533 -10.488 -7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.615 -10.333 -8.682 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.555 -10.314 -7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.982 -12.766 -6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.961 -12.759 -8.423 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.832 -11.644 -8.574 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.635 -13.384 -8.486 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.142 -12.427 -10.492 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.317 -12.695 -9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.750 -12.807 -11.545 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.577 -12.571 -12.685 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.119 -12.737 -13.152 1.00 0.00 H new ATOM 1194 N PHE A 87 -3.704 -12.643 -6.172 1.00 0.00 N ATOM 1195 CA PHE A 87 -3.959 -13.808 -5.333 1.00 0.00 C ATOM 1196 C PHE A 87 -3.652 -15.098 -6.087 1.00 0.00 C ATOM 1197 O PHE A 87 -4.340 -15.450 -7.045 1.00 0.00 O ATOM 1198 CB PHE A 87 -5.415 -13.815 -4.862 1.00 0.00 C ATOM 1199 CG PHE A 87 -5.840 -15.118 -4.249 1.00 0.00 C ATOM 1200 CD1 PHE A 87 -6.292 -16.158 -5.046 1.00 0.00 C ATOM 1201 CD2 PHE A 87 -5.791 -15.303 -2.877 1.00 0.00 C ATOM 1202 CE1 PHE A 87 -6.684 -17.360 -4.486 1.00 0.00 C ATOM 1203 CE2 PHE A 87 -6.183 -16.502 -2.311 1.00 0.00 C ATOM 1204 CZ PHE A 87 -6.630 -17.531 -3.116 1.00 0.00 C ATOM 0 H PHE A 87 -4.273 -12.599 -7.017 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.303 -13.750 -4.464 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.557 -13.017 -4.134 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.064 -13.592 -5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.339 -16.028 -6.117 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.443 -14.502 -2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.032 -18.164 -5.118 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.140 -16.634 -1.240 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.937 -18.468 -2.675 1.00 0.00 H new ATOM 1214 N GLY A 88 -2.613 -15.801 -5.647 1.00 0.00 N ATOM 1215 CA GLY A 88 -2.230 -17.044 -6.291 1.00 0.00 C ATOM 1216 C GLY A 88 -1.995 -16.878 -7.779 1.00 0.00 C ATOM 1217 O GLY A 88 -2.450 -17.692 -8.581 1.00 0.00 O ATOM 0 H GLY A 88 -2.029 -15.532 -4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.323 -17.427 -5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.010 -17.788 -6.130 1.00 0.00 H new ATOM 1221 N GLY A 89 -1.284 -15.817 -8.150 1.00 0.00 N ATOM 1222 CA GLY A 89 -1.003 -15.564 -9.551 1.00 0.00 C ATOM 1223 C GLY A 89 -2.230 -15.104 -10.314 1.00 0.00 C ATOM 1224 O GLY A 89 -2.310 -15.267 -11.532 1.00 0.00 O ATOM 0 H GLY A 89 -0.898 -15.128 -7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.224 -14.806 -9.631 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.613 -16.472 -10.010 1.00 0.00 H new ATOM 1228 N VAL A 90 -3.190 -14.529 -9.597 1.00 0.00 N ATOM 1229 CA VAL A 90 -4.419 -14.045 -10.214 1.00 0.00 C ATOM 1230 C VAL A 90 -4.743 -12.628 -9.753 1.00 0.00 C ATOM 1231 O VAL A 90 -5.155 -12.413 -8.613 1.00 0.00 O ATOM 1232 CB VAL A 90 -5.611 -14.963 -9.887 1.00 0.00 C ATOM 1233 CG1 VAL A 90 -6.892 -14.412 -10.494 1.00 0.00 C ATOM 1234 CG2 VAL A 90 -5.343 -16.378 -10.380 1.00 0.00 C ATOM 0 H VAL A 90 -3.140 -14.387 -8.588 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.254 -14.046 -11.291 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.736 -14.997 -8.805 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.723 -15.074 -10.252 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.089 -13.419 -10.089 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.783 -14.347 -11.577 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.195 -17.014 -10.141 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.192 -16.365 -11.459 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.450 -16.770 -9.893 1.00 0.00 H new ATOM 1244 N ASP A 91 -4.555 -11.664 -10.648 1.00 0.00 N ATOM 1245 CA ASP A 91 -4.829 -10.266 -10.335 1.00 0.00 C ATOM 1246 C ASP A 91 -6.332 -10.008 -10.271 1.00 0.00 C ATOM 1247 O ASP A 91 -6.995 -9.887 -11.301 1.00 0.00 O ATOM 1248 CB ASP A 91 -4.187 -9.352 -11.380 1.00 0.00 C ATOM 1249 CG ASP A 91 -4.286 -7.886 -11.005 1.00 0.00 C ATOM 1250 OD1 ASP A 91 -3.587 -7.466 -10.058 1.00 0.00 O ATOM 1251 OD2 ASP A 91 -5.061 -7.159 -11.660 1.00 0.00 O ATOM 0 H ASP A 91 -4.214 -11.825 -11.596 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.398 -10.047 -9.358 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.138 -9.623 -11.501 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.670 -9.511 -12.344 1.00 0.00 H new ATOM 1256 N ILE A 92 -6.861 -9.926 -9.055 1.00 0.00 N ATOM 1257 CA ILE A 92 -8.284 -9.682 -8.857 1.00 0.00 C ATOM 1258 C ILE A 92 -8.806 -8.640 -9.840 1.00 0.00 C ATOM 1259 O ILE A 92 -8.061 -7.801 -10.347 1.00 0.00 O ATOM 1260 CB ILE A 92 -8.580 -9.210 -7.421 1.00 0.00 C ATOM 1261 CG1 ILE A 92 -7.577 -8.134 -6.998 1.00 0.00 C ATOM 1262 CG2 ILE A 92 -8.540 -10.387 -6.457 1.00 0.00 C ATOM 1263 CD1 ILE A 92 -7.565 -7.871 -5.508 1.00 0.00 C ATOM 0 H ILE A 92 -6.326 -10.025 -8.192 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.793 -10.630 -9.032 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.581 -8.778 -7.395 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.578 -8.436 -7.314 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.810 -7.206 -7.521 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.751 -10.037 -5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.289 -11.123 -6.750 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.551 -10.845 -6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.831 -7.098 -5.281 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.553 -7.539 -5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.302 -8.787 -4.979 1.00 0.00 H new ATOM 1275 N PRO A 93 -10.117 -8.693 -10.117 1.00 0.00 N ATOM 1276 CA PRO A 93 -10.769 -7.759 -11.040 1.00 0.00 C ATOM 1277 C PRO A 93 -10.844 -6.344 -10.476 1.00 0.00 C ATOM 1278 O PRO A 93 -11.422 -5.450 -11.094 1.00 0.00 O ATOM 1279 CB PRO A 93 -12.174 -8.344 -11.203 1.00 0.00 C ATOM 1280 CG PRO A 93 -12.407 -9.124 -9.956 1.00 0.00 C ATOM 1281 CD PRO A 93 -11.065 -9.667 -9.549 1.00 0.00 C ATOM 0 HA PRO A 93 -10.221 -7.663 -11.977 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.919 -7.557 -11.323 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.238 -8.980 -12.086 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.826 -8.492 -9.173 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.119 -9.932 -10.128 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.971 -9.735 -8.465 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.899 -10.668 -9.947 1.00 0.00 H new ATOM 1289 N ASN A 94 -10.255 -6.148 -9.301 1.00 0.00 N ATOM 1290 CA ASN A 94 -10.256 -4.841 -8.655 1.00 0.00 C ATOM 1291 C ASN A 94 -8.908 -4.147 -8.828 1.00 0.00 C ATOM 1292 O ASN A 94 -8.809 -2.925 -8.719 1.00 0.00 O ATOM 1293 CB ASN A 94 -10.580 -4.986 -7.166 1.00 0.00 C ATOM 1294 CG ASN A 94 -11.918 -5.658 -6.927 1.00 0.00 C ATOM 1295 OD1 ASN A 94 -12.825 -5.070 -6.340 1.00 0.00 O ATOM 1296 ND2 ASN A 94 -12.045 -6.899 -7.385 1.00 0.00 N ATOM 0 H ASN A 94 -9.771 -6.877 -8.777 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.023 -4.229 -9.130 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -9.794 -5.565 -6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.583 -4.000 -6.700 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.922 -7.403 -7.255 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.265 -7.347 -7.866 1.00 0.00 H new ATOM 1303 N SER A 95 -7.874 -4.936 -9.100 1.00 0.00 N ATOM 1304 CA SER A 95 -6.531 -4.399 -9.285 1.00 0.00 C ATOM 1305 C SER A 95 -6.323 -3.945 -10.727 1.00 0.00 C ATOM 1306 O SER A 95 -6.824 -4.551 -11.675 1.00 0.00 O ATOM 1307 CB SER A 95 -5.482 -5.449 -8.913 1.00 0.00 C ATOM 1308 OG SER A 95 -4.329 -4.843 -8.357 1.00 0.00 O ATOM 0 H SER A 95 -7.940 -5.949 -9.197 1.00 0.00 H new ATOM 0 HA SER A 95 -6.418 -3.536 -8.629 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.906 -6.154 -8.198 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.205 -6.021 -9.799 1.00 0.00 H new ATOM 0 HG SER A 95 -4.590 -4.270 -7.606 1.00 0.00 H new ATOM 1314 N PRO A 96 -5.565 -2.852 -10.898 1.00 0.00 N ATOM 1315 CA PRO A 96 -4.963 -2.122 -9.777 1.00 0.00 C ATOM 1316 C PRO A 96 -6.005 -1.388 -8.938 1.00 0.00 C ATOM 1317 O PRO A 96 -7.172 -1.297 -9.319 1.00 0.00 O ATOM 1318 CB PRO A 96 -4.031 -1.122 -10.465 1.00 0.00 C ATOM 1319 CG PRO A 96 -4.618 -0.925 -11.821 1.00 0.00 C ATOM 1320 CD PRO A 96 -5.236 -2.243 -12.198 1.00 0.00 C ATOM 0 HA PRO A 96 -4.455 -2.790 -9.081 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.983 -0.183 -9.914 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.013 -1.508 -10.527 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.365 -0.132 -11.812 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.852 -0.633 -12.540 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.125 -2.108 -12.815 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.544 -2.863 -12.768 1.00 0.00 H new ATOM 1328 N PHE A 97 -5.574 -0.867 -7.795 1.00 0.00 N ATOM 1329 CA PHE A 97 -6.470 -0.142 -6.901 1.00 0.00 C ATOM 1330 C PHE A 97 -6.179 1.356 -6.936 1.00 0.00 C ATOM 1331 O PHE A 97 -5.187 1.821 -6.374 1.00 0.00 O ATOM 1332 CB PHE A 97 -6.331 -0.666 -5.470 1.00 0.00 C ATOM 1333 CG PHE A 97 -7.041 -1.969 -5.237 1.00 0.00 C ATOM 1334 CD1 PHE A 97 -6.642 -3.119 -5.899 1.00 0.00 C ATOM 1335 CD2 PHE A 97 -8.109 -2.043 -4.357 1.00 0.00 C ATOM 1336 CE1 PHE A 97 -7.293 -4.320 -5.686 1.00 0.00 C ATOM 1337 CE2 PHE A 97 -8.764 -3.241 -4.140 1.00 0.00 C ATOM 1338 CZ PHE A 97 -8.356 -4.380 -4.807 1.00 0.00 C ATOM 0 H PHE A 97 -4.611 -0.933 -7.465 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.492 -0.304 -7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.273 -0.791 -5.239 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.722 0.080 -4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.813 -3.077 -6.590 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.433 -1.155 -3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.971 -5.210 -6.206 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.594 -3.286 -3.450 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.868 -5.316 -4.641 1.00 0.00 H new ATOM 1348 N THR A 98 -7.051 2.107 -7.602 1.00 0.00 N ATOM 1349 CA THR A 98 -6.888 3.551 -7.714 1.00 0.00 C ATOM 1350 C THR A 98 -7.101 4.233 -6.367 1.00 0.00 C ATOM 1351 O THR A 98 -8.209 4.240 -5.831 1.00 0.00 O ATOM 1352 CB THR A 98 -7.867 4.149 -8.740 1.00 0.00 C ATOM 1353 OG1 THR A 98 -7.655 3.553 -10.026 1.00 0.00 O ATOM 1354 CG2 THR A 98 -7.693 5.657 -8.840 1.00 0.00 C ATOM 0 H THR A 98 -7.878 1.738 -8.072 1.00 0.00 H new ATOM 0 HA THR A 98 -5.867 3.729 -8.052 1.00 0.00 H new ATOM 0 HB THR A 98 -8.882 3.938 -8.405 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.283 3.938 -10.672 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.396 6.057 -9.571 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.884 6.111 -7.867 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.674 5.886 -9.153 1.00 0.00 H new ATOM 1362 N VAL A 99 -6.033 4.809 -5.825 1.00 0.00 N ATOM 1363 CA VAL A 99 -6.103 5.497 -4.541 1.00 0.00 C ATOM 1364 C VAL A 99 -5.577 6.922 -4.653 1.00 0.00 C ATOM 1365 O VAL A 99 -4.438 7.145 -5.062 1.00 0.00 O ATOM 1366 CB VAL A 99 -5.303 4.749 -3.458 1.00 0.00 C ATOM 1367 CG1 VAL A 99 -5.375 5.490 -2.133 1.00 0.00 C ATOM 1368 CG2 VAL A 99 -5.812 3.323 -3.310 1.00 0.00 C ATOM 0 H VAL A 99 -5.108 4.813 -6.255 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.154 5.522 -4.252 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.258 4.707 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.804 4.946 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.958 6.490 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.415 5.566 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.236 2.809 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.864 3.340 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.702 2.797 -4.258 1.00 0.00 H new ATOM 1378 N MET A 100 -6.414 7.887 -4.284 1.00 0.00 N ATOM 1379 CA MET A 100 -6.032 9.293 -4.341 1.00 0.00 C ATOM 1380 C MET A 100 -5.525 9.774 -2.985 1.00 0.00 C ATOM 1381 O MET A 100 -6.252 9.739 -1.993 1.00 0.00 O ATOM 1382 CB MET A 100 -7.220 10.148 -4.787 1.00 0.00 C ATOM 1383 CG MET A 100 -6.823 11.536 -5.265 1.00 0.00 C ATOM 1384 SD MET A 100 -6.438 11.580 -7.026 1.00 0.00 S ATOM 1385 CE MET A 100 -5.884 13.273 -7.210 1.00 0.00 C ATOM 0 H MET A 100 -7.361 7.721 -3.943 1.00 0.00 H new ATOM 0 HA MET A 100 -5.226 9.396 -5.068 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.747 9.633 -5.590 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.920 10.245 -3.957 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.634 12.234 -5.057 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.956 11.877 -4.699 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.609 13.455 -8.249 1.00 0.00 H new ATOM 0 HE2 MET A 100 -6.687 13.952 -6.923 1.00 0.00 H new ATOM 0 HE3 MET A 100 -5.018 13.444 -6.571 1.00 0.00 H new ATOM 1395 N ALA A 101 -4.274 10.222 -2.951 1.00 0.00 N ATOM 1396 CA ALA A 101 -3.672 10.711 -1.717 1.00 0.00 C ATOM 1397 C ALA A 101 -3.876 12.215 -1.565 1.00 0.00 C ATOM 1398 O ALA A 101 -3.449 12.999 -2.412 1.00 0.00 O ATOM 1399 CB ALA A 101 -2.188 10.372 -1.684 1.00 0.00 C ATOM 0 H ALA A 101 -3.658 10.256 -3.764 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.166 10.217 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.751 10.743 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.060 9.291 -1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.689 10.839 -2.533 1.00 0.00 H new ATOM 1405 N THR A 102 -4.533 12.611 -0.479 1.00 0.00 N ATOM 1406 CA THR A 102 -4.795 14.020 -0.216 1.00 0.00 C ATOM 1407 C THR A 102 -3.937 14.534 0.933 1.00 0.00 C ATOM 1408 O THR A 102 -3.683 13.816 1.900 1.00 0.00 O ATOM 1409 CB THR A 102 -6.280 14.262 0.118 1.00 0.00 C ATOM 1410 OG1 THR A 102 -6.723 13.315 1.097 1.00 0.00 O ATOM 1411 CG2 THR A 102 -7.141 14.148 -1.132 1.00 0.00 C ATOM 0 H THR A 102 -4.893 11.975 0.233 1.00 0.00 H new ATOM 0 HA THR A 102 -4.541 14.564 -1.126 1.00 0.00 H new ATOM 0 HB THR A 102 -6.380 15.271 0.518 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.667 13.477 1.305 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.185 14.323 -0.872 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.820 14.890 -1.864 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.035 13.150 -1.557 1.00 0.00 H new