USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 708 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 87 HIS : no HD1:sc= -1.19! C(o=-7.2!,f=-13!) USER MOD Set 1.2: A 89 MET CE :methyl -119:sc= -6.05! (180deg=-6.81!) USER MOD Set 2.1: A 64 ASN : amide:sc= -1.24 K(o=-0.26,f=0.94) USER MOD Set 2.2: A 83 SER OG : rot 72:sc= 0.981 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.199 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -0.344 X(o=-0.34,f=-0.46) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.164 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.202 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0.0403 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -78:sc= 1.01 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0775 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -151:sc= -7.06! (180deg=-11.9!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -91:sc= 0.391 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -151:sc= -6.45! (180deg=-7.89!) USER MOD Single : A 93 MET CE :methyl 151:sc= -0.126 (180deg=-0.672) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 19:sc= 1.51 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.159 0.736 -24.097 1.00 0.00 N ATOM 2 CA GLY A 1 -13.601 -0.549 -23.711 1.00 0.00 C ATOM 3 C GLY A 1 -12.073 -0.529 -23.791 1.00 0.00 C ATOM 4 O GLY A 1 -11.506 -0.405 -24.875 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.196 0.697 -24.034 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.801 1.475 -23.459 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.879 0.957 -25.074 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.912 -0.795 -22.696 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.993 -1.330 -24.362 1.00 0.00 H new ATOM 8 N SER A 2 -11.450 -0.652 -22.628 1.00 0.00 N ATOM 9 CA SER A 2 -9.999 -0.649 -22.552 1.00 0.00 C ATOM 10 C SER A 2 -9.543 -1.246 -21.220 1.00 0.00 C ATOM 11 O SER A 2 -10.172 -1.020 -20.187 1.00 0.00 O ATOM 12 CB SER A 2 -9.441 0.766 -22.719 1.00 0.00 C ATOM 13 OG SER A 2 -8.087 0.757 -23.161 1.00 0.00 O ATOM 0 H SER A 2 -11.924 -0.754 -21.731 1.00 0.00 H new ATOM 0 HA SER A 2 -9.613 -1.261 -23.367 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.053 1.315 -23.435 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.509 1.297 -21.769 1.00 0.00 H new ATOM 0 HG SER A 2 -7.768 1.679 -23.257 1.00 0.00 H new ATOM 19 N SER A 3 -8.454 -1.998 -21.286 1.00 0.00 N ATOM 20 CA SER A 3 -7.907 -2.629 -20.097 1.00 0.00 C ATOM 21 C SER A 3 -8.790 -3.805 -19.676 1.00 0.00 C ATOM 22 O SER A 3 -8.322 -4.941 -19.601 1.00 0.00 O ATOM 23 CB SER A 3 -7.778 -1.625 -18.950 1.00 0.00 C ATOM 24 OG SER A 3 -6.771 -2.006 -18.017 1.00 0.00 O ATOM 0 H SER A 3 -7.936 -2.184 -22.145 1.00 0.00 H new ATOM 0 HA SER A 3 -6.909 -2.998 -20.334 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.543 -0.641 -19.355 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.735 -1.538 -18.435 1.00 0.00 H new ATOM 0 HG SER A 3 -6.719 -1.339 -17.301 1.00 0.00 H new ATOM 30 N GLY A 4 -10.050 -3.494 -19.412 1.00 0.00 N ATOM 31 CA GLY A 4 -11.002 -4.511 -19.001 1.00 0.00 C ATOM 32 C GLY A 4 -10.943 -5.725 -19.930 1.00 0.00 C ATOM 33 O GLY A 4 -11.419 -5.669 -21.062 1.00 0.00 O ATOM 0 H GLY A 4 -10.434 -2.551 -19.475 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.789 -4.821 -17.978 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.009 -4.094 -19.005 1.00 0.00 H new ATOM 37 N SER A 5 -10.354 -6.795 -19.416 1.00 0.00 N ATOM 38 CA SER A 5 -10.226 -8.021 -20.185 1.00 0.00 C ATOM 39 C SER A 5 -10.435 -9.234 -19.276 1.00 0.00 C ATOM 40 O SER A 5 -10.314 -9.128 -18.057 1.00 0.00 O ATOM 41 CB SER A 5 -8.860 -8.101 -20.871 1.00 0.00 C ATOM 42 OG SER A 5 -8.581 -9.413 -21.353 1.00 0.00 O ATOM 0 H SER A 5 -9.960 -6.838 -18.476 1.00 0.00 H new ATOM 0 HA SER A 5 -10.992 -8.020 -20.960 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.829 -7.396 -21.701 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.083 -7.800 -20.168 1.00 0.00 H new ATOM 0 HG SER A 5 -7.702 -9.423 -21.785 1.00 0.00 H new ATOM 48 N SER A 6 -10.745 -10.358 -19.905 1.00 0.00 N ATOM 49 CA SER A 6 -10.972 -11.589 -19.168 1.00 0.00 C ATOM 50 C SER A 6 -9.866 -12.599 -19.481 1.00 0.00 C ATOM 51 O SER A 6 -9.216 -12.510 -20.521 1.00 0.00 O ATOM 52 CB SER A 6 -12.343 -12.184 -19.498 1.00 0.00 C ATOM 53 OG SER A 6 -13.209 -12.190 -18.367 1.00 0.00 O ATOM 0 H SER A 6 -10.844 -10.442 -20.917 1.00 0.00 H new ATOM 0 HA SER A 6 -10.953 -11.358 -18.103 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.803 -11.611 -20.303 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.217 -13.203 -19.864 1.00 0.00 H new ATOM 0 HG SER A 6 -14.074 -12.576 -18.619 1.00 0.00 H new ATOM 59 N GLY A 7 -9.685 -13.535 -18.561 1.00 0.00 N ATOM 60 CA GLY A 7 -8.669 -14.560 -18.726 1.00 0.00 C ATOM 61 C GLY A 7 -7.298 -14.050 -18.275 1.00 0.00 C ATOM 62 O GLY A 7 -7.101 -12.846 -18.117 1.00 0.00 O ATOM 0 H GLY A 7 -10.225 -13.605 -17.699 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.941 -15.443 -18.148 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.622 -14.865 -19.771 1.00 0.00 H new ATOM 66 N SER A 8 -6.387 -14.992 -18.080 1.00 0.00 N ATOM 67 CA SER A 8 -5.041 -14.654 -17.650 1.00 0.00 C ATOM 68 C SER A 8 -5.084 -13.976 -16.279 1.00 0.00 C ATOM 69 O SER A 8 -6.155 -13.612 -15.796 1.00 0.00 O ATOM 70 CB SER A 8 -4.349 -13.746 -18.669 1.00 0.00 C ATOM 71 OG SER A 8 -3.759 -14.489 -19.732 1.00 0.00 O ATOM 0 H SER A 8 -6.555 -15.989 -18.212 1.00 0.00 H new ATOM 0 HA SER A 8 -4.465 -15.576 -17.574 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.073 -13.041 -19.078 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.580 -13.158 -18.167 1.00 0.00 H new ATOM 0 HG SER A 8 -3.329 -13.874 -20.362 1.00 0.00 H new ATOM 77 N ASP A 9 -3.907 -13.827 -15.690 1.00 0.00 N ATOM 78 CA ASP A 9 -3.797 -13.200 -14.384 1.00 0.00 C ATOM 79 C ASP A 9 -4.743 -11.999 -14.319 1.00 0.00 C ATOM 80 O ASP A 9 -5.091 -11.422 -15.347 1.00 0.00 O ATOM 81 CB ASP A 9 -2.374 -12.695 -14.134 1.00 0.00 C ATOM 82 CG ASP A 9 -1.269 -13.719 -14.397 1.00 0.00 C ATOM 83 OD1 ASP A 9 -0.852 -13.816 -15.571 1.00 0.00 O ATOM 84 OD2 ASP A 9 -0.865 -14.382 -13.417 1.00 0.00 O ATOM 0 H ASP A 9 -3.020 -14.130 -16.093 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.054 -13.944 -13.630 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.198 -11.823 -14.764 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.300 -12.361 -13.099 1.00 0.00 H new ATOM 89 N ILE A 10 -5.132 -11.659 -13.099 1.00 0.00 N ATOM 90 CA ILE A 10 -6.032 -10.538 -12.885 1.00 0.00 C ATOM 91 C ILE A 10 -5.423 -9.592 -11.849 1.00 0.00 C ATOM 92 O ILE A 10 -4.593 -10.003 -11.040 1.00 0.00 O ATOM 93 CB ILE A 10 -7.431 -11.036 -12.517 1.00 0.00 C ATOM 94 CG1 ILE A 10 -7.971 -11.991 -13.583 1.00 0.00 C ATOM 95 CG2 ILE A 10 -8.381 -9.864 -12.262 1.00 0.00 C ATOM 96 CD1 ILE A 10 -9.485 -11.834 -13.743 1.00 0.00 C ATOM 0 H ILE A 10 -4.840 -12.140 -12.248 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.155 -9.967 -13.805 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.359 -11.600 -11.587 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.479 -11.795 -14.535 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.735 -13.019 -13.308 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.368 -10.246 -12.002 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.999 -9.258 -11.441 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.454 -9.252 -13.161 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.844 -12.524 -14.507 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.976 -12.055 -12.795 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.715 -10.811 -14.041 1.00 0.00 H new ATOM 108 N ILE A 11 -5.860 -8.342 -11.907 1.00 0.00 N ATOM 109 CA ILE A 11 -5.368 -7.334 -10.983 1.00 0.00 C ATOM 110 C ILE A 11 -6.296 -7.266 -9.769 1.00 0.00 C ATOM 111 O ILE A 11 -7.482 -7.576 -9.871 1.00 0.00 O ATOM 112 CB ILE A 11 -5.192 -5.993 -11.698 1.00 0.00 C ATOM 113 CG1 ILE A 11 -3.989 -6.030 -12.644 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.095 -4.844 -10.693 1.00 0.00 C ATOM 115 CD1 ILE A 11 -2.710 -5.602 -11.921 1.00 0.00 C ATOM 0 H ILE A 11 -6.549 -8.005 -12.579 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.379 -7.605 -10.614 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.077 -5.813 -12.308 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.866 -7.037 -13.043 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.169 -5.371 -13.493 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.970 -3.902 -11.228 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.006 -4.805 -10.096 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.239 -5.005 -10.038 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.870 -5.637 -12.615 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.827 -4.586 -11.545 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.520 -6.278 -11.087 1.00 0.00 H new ATOM 127 N HIS A 12 -5.721 -6.857 -8.647 1.00 0.00 N ATOM 128 CA HIS A 12 -6.481 -6.744 -7.414 1.00 0.00 C ATOM 129 C HIS A 12 -6.478 -5.290 -6.940 1.00 0.00 C ATOM 130 O HIS A 12 -5.441 -4.627 -6.966 1.00 0.00 O ATOM 131 CB HIS A 12 -5.949 -7.714 -6.357 1.00 0.00 C ATOM 132 CG HIS A 12 -6.225 -9.167 -6.662 1.00 0.00 C ATOM 133 ND1 HIS A 12 -6.776 -10.035 -5.736 1.00 0.00 N ATOM 134 CD2 HIS A 12 -6.020 -9.894 -7.797 1.00 0.00 C ATOM 135 CE1 HIS A 12 -6.893 -11.228 -6.300 1.00 0.00 C ATOM 136 NE2 HIS A 12 -6.424 -11.139 -7.577 1.00 0.00 N ATOM 0 H HIS A 12 -4.737 -6.600 -8.566 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.518 -7.028 -7.595 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.873 -7.572 -6.258 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.394 -7.465 -5.393 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -7.046 -9.797 -4.782 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.600 -9.520 -8.719 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.290 -12.116 -5.830 1.00 0.00 H new ATOM 144 N SER A 13 -7.649 -4.835 -6.519 1.00 0.00 N ATOM 145 CA SER A 13 -7.794 -3.471 -6.040 1.00 0.00 C ATOM 146 C SER A 13 -7.776 -3.449 -4.511 1.00 0.00 C ATOM 147 O SER A 13 -8.514 -4.193 -3.867 1.00 0.00 O ATOM 148 CB SER A 13 -9.083 -2.837 -6.566 1.00 0.00 C ATOM 149 OG SER A 13 -9.625 -3.562 -7.666 1.00 0.00 O ATOM 0 H SER A 13 -8.506 -5.387 -6.500 1.00 0.00 H new ATOM 0 HA SER A 13 -6.955 -2.885 -6.415 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.819 -2.793 -5.763 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.883 -1.810 -6.872 1.00 0.00 H new ATOM 0 HG SER A 13 -10.448 -3.126 -7.971 1.00 0.00 H new ATOM 155 N VAL A 14 -6.925 -2.587 -3.973 1.00 0.00 N ATOM 156 CA VAL A 14 -6.802 -2.458 -2.531 1.00 0.00 C ATOM 157 C VAL A 14 -6.500 -1.001 -2.177 1.00 0.00 C ATOM 158 O VAL A 14 -5.885 -0.282 -2.964 1.00 0.00 O ATOM 159 CB VAL A 14 -5.745 -3.432 -2.007 1.00 0.00 C ATOM 160 CG1 VAL A 14 -4.443 -3.307 -2.801 1.00 0.00 C ATOM 161 CG2 VAL A 14 -5.497 -3.221 -0.512 1.00 0.00 C ATOM 0 H VAL A 14 -6.314 -1.971 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.740 -2.723 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.126 -4.444 -2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.708 -4.010 -2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.634 -3.530 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.058 -2.291 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.742 -3.926 -0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.148 -2.203 -0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.424 -3.384 0.037 1.00 0.00 H new ATOM 171 N ARG A 15 -6.946 -0.607 -0.994 1.00 0.00 N ATOM 172 CA ARG A 15 -6.732 0.752 -0.526 1.00 0.00 C ATOM 173 C ARG A 15 -6.238 0.743 0.922 1.00 0.00 C ATOM 174 O ARG A 15 -7.012 0.491 1.844 1.00 0.00 O ATOM 175 CB ARG A 15 -8.018 1.575 -0.615 1.00 0.00 C ATOM 176 CG ARG A 15 -8.423 1.804 -2.072 1.00 0.00 C ATOM 177 CD ARG A 15 -9.861 2.319 -2.167 1.00 0.00 C ATOM 178 NE ARG A 15 -9.861 3.783 -2.386 1.00 0.00 N ATOM 179 CZ ARG A 15 -10.969 4.533 -2.452 1.00 0.00 C ATOM 180 NH1 ARG A 15 -12.174 3.962 -2.316 1.00 0.00 N ATOM 181 NH2 ARG A 15 -10.873 5.854 -2.654 1.00 0.00 N ATOM 0 H ARG A 15 -7.456 -1.206 -0.344 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.978 1.209 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.821 1.060 -0.087 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.875 2.535 -0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.745 2.522 -2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.329 0.872 -2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.381 1.821 -2.985 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.403 2.080 -1.252 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.961 4.250 -2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.247 2.956 -2.162 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.018 4.533 -2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.956 6.289 -2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.717 6.425 -2.704 1.00 0.00 H new ATOM 195 N VAL A 16 -4.952 1.022 1.077 1.00 0.00 N ATOM 196 CA VAL A 16 -4.346 1.050 2.397 1.00 0.00 C ATOM 197 C VAL A 16 -4.252 2.499 2.880 1.00 0.00 C ATOM 198 O VAL A 16 -3.677 3.347 2.200 1.00 0.00 O ATOM 199 CB VAL A 16 -2.991 0.340 2.367 1.00 0.00 C ATOM 200 CG1 VAL A 16 -2.259 0.498 3.701 1.00 0.00 C ATOM 201 CG2 VAL A 16 -3.154 -1.136 2.002 1.00 0.00 C ATOM 0 H VAL A 16 -4.313 1.231 0.310 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.965 0.509 3.113 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.383 0.811 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.299 -0.016 3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.094 1.556 3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.862 0.066 4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.176 -1.617 1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.789 -1.626 2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.614 -1.219 1.017 1.00 0.00 H new ATOM 211 N GLU A 17 -4.824 2.738 4.051 1.00 0.00 N ATOM 212 CA GLU A 17 -4.812 4.069 4.632 1.00 0.00 C ATOM 213 C GLU A 17 -3.539 4.277 5.455 1.00 0.00 C ATOM 214 O GLU A 17 -2.976 3.321 5.987 1.00 0.00 O ATOM 215 CB GLU A 17 -6.060 4.308 5.484 1.00 0.00 C ATOM 216 CG GLU A 17 -7.105 5.115 4.711 1.00 0.00 C ATOM 217 CD GLU A 17 -6.661 6.571 4.548 1.00 0.00 C ATOM 218 OE1 GLU A 17 -6.799 7.321 5.538 1.00 0.00 O ATOM 219 OE2 GLU A 17 -6.195 6.900 3.436 1.00 0.00 O ATOM 0 H GLU A 17 -5.299 2.032 4.613 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.821 4.798 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.486 3.352 5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.786 4.839 6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.263 4.667 3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.060 5.078 5.236 1.00 0.00 H new ATOM 226 N LYS A 18 -3.122 5.532 5.535 1.00 0.00 N ATOM 227 CA LYS A 18 -1.926 5.877 6.285 1.00 0.00 C ATOM 228 C LYS A 18 -2.273 5.980 7.771 1.00 0.00 C ATOM 229 O LYS A 18 -3.252 6.625 8.141 1.00 0.00 O ATOM 230 CB LYS A 18 -1.283 7.143 5.714 1.00 0.00 C ATOM 231 CG LYS A 18 -1.970 8.399 6.256 1.00 0.00 C ATOM 232 CD LYS A 18 -1.561 9.636 5.455 1.00 0.00 C ATOM 233 CE LYS A 18 -0.209 10.174 5.929 1.00 0.00 C ATOM 234 NZ LYS A 18 0.623 10.574 4.772 1.00 0.00 N ATOM 0 H LYS A 18 -3.591 6.323 5.093 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.175 5.093 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.224 7.164 5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.348 7.129 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.052 8.274 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.708 8.537 7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.506 9.386 4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.322 10.410 5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.362 11.029 6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.309 9.412 6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.537 10.937 5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.784 9.750 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.134 11.317 4.233 1.00 0.00 H new ATOM 248 N SER A 19 -1.450 5.333 8.584 1.00 0.00 N ATOM 249 CA SER A 19 -1.658 5.343 10.022 1.00 0.00 C ATOM 250 C SER A 19 -0.436 5.941 10.723 1.00 0.00 C ATOM 251 O SER A 19 0.700 5.632 10.369 1.00 0.00 O ATOM 252 CB SER A 19 -1.934 3.933 10.549 1.00 0.00 C ATOM 253 OG SER A 19 -2.887 3.241 9.746 1.00 0.00 O ATOM 0 H SER A 19 -0.638 4.799 8.274 1.00 0.00 H new ATOM 0 HA SER A 19 -2.531 5.959 10.237 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.003 3.367 10.576 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.299 3.994 11.574 1.00 0.00 H new ATOM 0 HG SER A 19 -3.035 2.345 10.113 1.00 0.00 H new ATOM 259 N PRO A 20 -0.720 6.810 11.730 1.00 0.00 N ATOM 260 CA PRO A 20 0.343 7.454 12.483 1.00 0.00 C ATOM 261 C PRO A 20 0.991 6.475 13.464 1.00 0.00 C ATOM 262 O PRO A 20 0.651 6.458 14.646 1.00 0.00 O ATOM 263 CB PRO A 20 -0.324 8.633 13.174 1.00 0.00 C ATOM 264 CG PRO A 20 -1.815 8.336 13.158 1.00 0.00 C ATOM 265 CD PRO A 20 -2.054 7.200 12.176 1.00 0.00 C ATOM 0 HA PRO A 20 1.163 7.792 11.849 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.041 8.745 14.195 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.106 9.565 12.653 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.160 8.058 14.154 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.377 9.221 12.862 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.572 6.367 12.652 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.673 7.523 11.339 1.00 0.00 H new ATOM 273 N ALA A 21 1.914 5.684 12.937 1.00 0.00 N ATOM 274 CA ALA A 21 2.613 4.704 13.751 1.00 0.00 C ATOM 275 C ALA A 21 4.066 4.600 13.281 1.00 0.00 C ATOM 276 O ALA A 21 4.990 4.870 14.046 1.00 0.00 O ATOM 277 CB ALA A 21 1.880 3.364 13.679 1.00 0.00 C ATOM 0 H ALA A 21 2.194 5.702 11.956 1.00 0.00 H new ATOM 0 HA ALA A 21 2.626 5.013 14.796 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.405 2.629 14.290 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.863 3.485 14.051 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.850 3.021 12.645 1.00 0.00 H new ATOM 283 N GLY A 22 4.221 4.209 12.025 1.00 0.00 N ATOM 284 CA GLY A 22 5.545 4.066 11.444 1.00 0.00 C ATOM 285 C GLY A 22 5.594 2.882 10.476 1.00 0.00 C ATOM 286 O GLY A 22 5.129 1.790 10.801 1.00 0.00 O ATOM 0 H GLY A 22 3.452 3.987 11.393 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.816 4.982 10.918 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.280 3.923 12.236 1.00 0.00 H new ATOM 290 N ARG A 23 6.162 3.137 9.307 1.00 0.00 N ATOM 291 CA ARG A 23 6.279 2.106 8.290 1.00 0.00 C ATOM 292 C ARG A 23 4.891 1.622 7.864 1.00 0.00 C ATOM 293 O ARG A 23 3.973 1.562 8.681 1.00 0.00 O ATOM 294 CB ARG A 23 7.091 0.916 8.803 1.00 0.00 C ATOM 295 CG ARG A 23 8.585 1.246 8.839 1.00 0.00 C ATOM 296 CD ARG A 23 9.428 0.014 8.506 1.00 0.00 C ATOM 297 NE ARG A 23 10.662 0.008 9.322 1.00 0.00 N ATOM 298 CZ ARG A 23 11.631 -0.911 9.213 1.00 0.00 C ATOM 299 NH1 ARG A 23 11.514 -1.905 8.322 1.00 0.00 N ATOM 300 NH2 ARG A 23 12.716 -0.837 9.996 1.00 0.00 N ATOM 0 H ARG A 23 6.547 4.044 9.041 1.00 0.00 H new ATOM 0 HA ARG A 23 6.795 2.541 7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.751 0.643 9.802 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.921 0.052 8.161 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.802 2.043 8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.855 1.619 9.827 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.853 -0.892 8.696 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.683 0.014 7.446 1.00 0.00 H new ATOM 0 HE ARG A 23 10.783 0.750 10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.687 -1.962 7.727 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.251 -2.605 8.239 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.804 -0.081 10.675 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.454 -1.537 9.913 1.00 0.00 H new ATOM 314 N LEU A 24 4.782 1.289 6.586 1.00 0.00 N ATOM 315 CA LEU A 24 3.522 0.812 6.042 1.00 0.00 C ATOM 316 C LEU A 24 2.989 -0.323 6.920 1.00 0.00 C ATOM 317 O LEU A 24 3.752 -0.967 7.638 1.00 0.00 O ATOM 318 CB LEU A 24 3.685 0.427 4.571 1.00 0.00 C ATOM 319 CG LEU A 24 3.222 1.467 3.549 1.00 0.00 C ATOM 320 CD1 LEU A 24 1.842 2.017 3.914 1.00 0.00 C ATOM 321 CD2 LEU A 24 4.259 2.581 3.392 1.00 0.00 C ATOM 0 H LEU A 24 5.546 1.340 5.912 1.00 0.00 H new ATOM 0 HA LEU A 24 2.775 1.606 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.737 0.210 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.134 -0.497 4.395 1.00 0.00 H new ATOM 0 HG LEU A 24 3.128 0.976 2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.536 2.754 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.119 1.201 3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.886 2.488 4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.905 3.307 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.409 3.077 4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.203 2.154 3.053 1.00 0.00 H new ATOM 333 N GLY A 25 1.684 -0.533 6.832 1.00 0.00 N ATOM 334 CA GLY A 25 1.041 -1.579 7.609 1.00 0.00 C ATOM 335 C GLY A 25 1.495 -2.964 7.146 1.00 0.00 C ATOM 336 O GLY A 25 1.173 -3.970 7.776 1.00 0.00 O ATOM 0 H GLY A 25 1.055 0.003 6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.277 -1.449 8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.041 -1.496 7.512 1.00 0.00 H new ATOM 340 N PHE A 26 2.237 -2.972 6.048 1.00 0.00 N ATOM 341 CA PHE A 26 2.739 -4.218 5.493 1.00 0.00 C ATOM 342 C PHE A 26 4.247 -4.140 5.248 1.00 0.00 C ATOM 343 O PHE A 26 4.796 -3.053 5.073 1.00 0.00 O ATOM 344 CB PHE A 26 2.027 -4.430 4.155 1.00 0.00 C ATOM 345 CG PHE A 26 2.144 -3.247 3.193 1.00 0.00 C ATOM 346 CD1 PHE A 26 1.509 -2.077 3.473 1.00 0.00 C ATOM 347 CD2 PHE A 26 2.884 -3.364 2.057 1.00 0.00 C ATOM 348 CE1 PHE A 26 1.618 -0.979 2.580 1.00 0.00 C ATOM 349 CE2 PHE A 26 2.993 -2.266 1.164 1.00 0.00 C ATOM 350 CZ PHE A 26 2.358 -1.096 1.444 1.00 0.00 C ATOM 0 H PHE A 26 2.503 -2.136 5.528 1.00 0.00 H new ATOM 0 HA PHE A 26 2.553 -5.037 6.187 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.437 -5.318 3.674 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.972 -4.628 4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.922 -1.984 4.375 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.389 -4.293 1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.113 -0.050 2.802 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.580 -2.359 0.262 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.441 -0.260 0.765 1.00 0.00 H new ATOM 360 N SER A 27 4.874 -5.307 5.243 1.00 0.00 N ATOM 361 CA SER A 27 6.308 -5.385 5.022 1.00 0.00 C ATOM 362 C SER A 27 6.593 -5.863 3.597 1.00 0.00 C ATOM 363 O SER A 27 6.093 -6.905 3.176 1.00 0.00 O ATOM 364 CB SER A 27 6.972 -6.318 6.037 1.00 0.00 C ATOM 365 OG SER A 27 7.889 -5.625 6.879 1.00 0.00 O ATOM 0 H SER A 27 4.415 -6.206 5.388 1.00 0.00 H new ATOM 0 HA SER A 27 6.729 -4.388 5.155 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.205 -6.792 6.649 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.496 -7.115 5.509 1.00 0.00 H new ATOM 0 HG SER A 27 8.290 -6.255 7.514 1.00 0.00 H new ATOM 371 N VAL A 28 7.396 -5.078 2.893 1.00 0.00 N ATOM 372 CA VAL A 28 7.753 -5.408 1.524 1.00 0.00 C ATOM 373 C VAL A 28 9.219 -5.843 1.475 1.00 0.00 C ATOM 374 O VAL A 28 10.033 -5.385 2.275 1.00 0.00 O ATOM 375 CB VAL A 28 7.450 -4.224 0.604 1.00 0.00 C ATOM 376 CG1 VAL A 28 5.941 -4.018 0.455 1.00 0.00 C ATOM 377 CG2 VAL A 28 8.130 -2.950 1.108 1.00 0.00 C ATOM 0 H VAL A 28 7.809 -4.215 3.245 1.00 0.00 H new ATOM 0 HA VAL A 28 7.153 -6.244 1.164 1.00 0.00 H new ATOM 0 HB VAL A 28 7.856 -4.453 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.753 -3.170 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.492 -4.915 0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.502 -3.822 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.898 -2.124 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.768 -2.716 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.209 -3.101 1.139 1.00 0.00 H new ATOM 387 N ARG A 29 9.511 -6.723 0.528 1.00 0.00 N ATOM 388 CA ARG A 29 10.864 -7.225 0.364 1.00 0.00 C ATOM 389 C ARG A 29 11.415 -6.828 -1.007 1.00 0.00 C ATOM 390 O ARG A 29 10.651 -6.566 -1.935 1.00 0.00 O ATOM 391 CB ARG A 29 10.907 -8.748 0.502 1.00 0.00 C ATOM 392 CG ARG A 29 10.096 -9.422 -0.607 1.00 0.00 C ATOM 393 CD ARG A 29 10.485 -10.895 -0.753 1.00 0.00 C ATOM 394 NE ARG A 29 10.391 -11.304 -2.173 1.00 0.00 N ATOM 395 CZ ARG A 29 10.972 -12.401 -2.678 1.00 0.00 C ATOM 396 NH1 ARG A 29 11.692 -13.204 -1.884 1.00 0.00 N ATOM 397 NH2 ARG A 29 10.832 -12.694 -3.978 1.00 0.00 N ATOM 0 H ARG A 29 8.833 -7.101 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 29 11.479 -6.783 1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.941 -9.091 0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.512 -9.040 1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.032 -9.344 -0.383 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.262 -8.903 -1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.500 -11.050 -0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.829 -11.515 -0.143 1.00 0.00 H new ATOM 0 HE ARG A 29 9.851 -10.714 -2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.798 -12.981 -0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.134 -14.039 -2.269 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.284 -12.082 -4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.274 -13.529 -4.363 1.00 0.00 H new ATOM 411 N GLY A 30 12.737 -6.796 -1.091 1.00 0.00 N ATOM 412 CA GLY A 30 13.399 -6.435 -2.334 1.00 0.00 C ATOM 413 C GLY A 30 13.948 -5.009 -2.268 1.00 0.00 C ATOM 414 O GLY A 30 14.225 -4.496 -1.185 1.00 0.00 O ATOM 0 H GLY A 30 13.367 -7.014 -0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.212 -7.133 -2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.696 -6.520 -3.163 1.00 0.00 H new ATOM 418 N GLY A 31 14.090 -4.409 -3.441 1.00 0.00 N ATOM 419 CA GLY A 31 14.601 -3.052 -3.531 1.00 0.00 C ATOM 420 C GLY A 31 15.926 -3.014 -4.294 1.00 0.00 C ATOM 421 O GLY A 31 15.996 -2.477 -5.398 1.00 0.00 O ATOM 0 H GLY A 31 13.860 -4.838 -4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.870 -2.417 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.742 -2.646 -2.529 1.00 0.00 H new ATOM 425 N SER A 32 16.945 -3.592 -3.675 1.00 0.00 N ATOM 426 CA SER A 32 18.265 -3.632 -4.282 1.00 0.00 C ATOM 427 C SER A 32 18.479 -4.976 -4.980 1.00 0.00 C ATOM 428 O SER A 32 18.428 -5.057 -6.207 1.00 0.00 O ATOM 429 CB SER A 32 19.358 -3.396 -3.238 1.00 0.00 C ATOM 430 OG SER A 32 20.657 -3.683 -3.751 1.00 0.00 O ATOM 0 H SER A 32 16.883 -4.037 -2.759 1.00 0.00 H new ATOM 0 HA SER A 32 18.327 -2.833 -5.020 1.00 0.00 H new ATOM 0 HB2 SER A 32 19.321 -2.360 -2.903 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.167 -4.020 -2.365 1.00 0.00 H new ATOM 0 HG SER A 32 21.327 -3.518 -3.055 1.00 0.00 H new ATOM 436 N GLU A 33 18.715 -5.997 -4.170 1.00 0.00 N ATOM 437 CA GLU A 33 18.938 -7.333 -4.695 1.00 0.00 C ATOM 438 C GLU A 33 17.867 -7.682 -5.731 1.00 0.00 C ATOM 439 O GLU A 33 16.693 -7.825 -5.392 1.00 0.00 O ATOM 440 CB GLU A 33 18.967 -8.368 -3.568 1.00 0.00 C ATOM 441 CG GLU A 33 17.643 -8.382 -2.802 1.00 0.00 C ATOM 442 CD GLU A 33 17.801 -9.074 -1.447 1.00 0.00 C ATOM 443 OE1 GLU A 33 18.680 -8.626 -0.680 1.00 0.00 O ATOM 444 OE2 GLU A 33 17.038 -10.035 -1.208 1.00 0.00 O ATOM 0 H GLU A 33 18.757 -5.926 -3.153 1.00 0.00 H new ATOM 0 HA GLU A 33 19.911 -7.351 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 33 19.162 -9.357 -3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 33 19.785 -8.143 -2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 33 17.294 -7.360 -2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.884 -8.896 -3.391 1.00 0.00 H new ATOM 451 N HIS A 34 18.310 -7.807 -6.974 1.00 0.00 N ATOM 452 CA HIS A 34 17.404 -8.136 -8.062 1.00 0.00 C ATOM 453 C HIS A 34 16.335 -7.048 -8.186 1.00 0.00 C ATOM 454 O HIS A 34 15.445 -6.948 -7.343 1.00 0.00 O ATOM 455 CB HIS A 34 16.809 -9.532 -7.870 1.00 0.00 C ATOM 456 CG HIS A 34 17.835 -10.604 -7.589 1.00 0.00 C ATOM 457 ND1 HIS A 34 18.591 -11.198 -8.585 1.00 0.00 N ATOM 458 CD2 HIS A 34 18.223 -11.181 -6.416 1.00 0.00 C ATOM 459 CE1 HIS A 34 19.393 -12.091 -8.025 1.00 0.00 C ATOM 460 NE2 HIS A 34 19.164 -12.079 -6.681 1.00 0.00 N ATOM 0 H HIS A 34 19.284 -7.686 -7.252 1.00 0.00 H new ATOM 0 HA HIS A 34 17.954 -8.165 -9.002 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.096 -9.502 -7.046 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.250 -9.804 -8.766 1.00 0.00 H new ATOM 0 HD2 HIS A 34 17.831 -10.947 -5.437 1.00 0.00 H new ATOM 0 HE1 HIS A 34 20.104 -12.719 -8.542 1.00 0.00 H new ATOM 0 HE2 HIS A 34 19.638 -12.664 -5.993 1.00 0.00 H new ATOM 468 N GLY A 35 16.459 -6.260 -9.244 1.00 0.00 N ATOM 469 CA GLY A 35 15.515 -5.183 -9.489 1.00 0.00 C ATOM 470 C GLY A 35 14.085 -5.622 -9.165 1.00 0.00 C ATOM 471 O GLY A 35 13.624 -5.461 -8.036 1.00 0.00 O ATOM 0 H GLY A 35 17.199 -6.346 -9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.780 -4.317 -8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.576 -4.871 -10.532 1.00 0.00 H new ATOM 475 N LEU A 36 13.425 -6.169 -10.174 1.00 0.00 N ATOM 476 CA LEU A 36 12.058 -6.633 -10.011 1.00 0.00 C ATOM 477 C LEU A 36 11.218 -5.519 -9.383 1.00 0.00 C ATOM 478 O LEU A 36 11.699 -4.402 -9.200 1.00 0.00 O ATOM 479 CB LEU A 36 12.027 -7.945 -9.223 1.00 0.00 C ATOM 480 CG LEU A 36 12.689 -9.148 -9.898 1.00 0.00 C ATOM 481 CD1 LEU A 36 12.819 -10.320 -8.924 1.00 0.00 C ATOM 482 CD2 LEU A 36 11.939 -9.542 -11.172 1.00 0.00 C ATOM 0 H LEU A 36 13.812 -6.302 -11.109 1.00 0.00 H new ATOM 0 HA LEU A 36 11.615 -6.860 -10.981 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.513 -7.780 -8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.987 -8.197 -9.015 1.00 0.00 H new ATOM 0 HG LEU A 36 13.698 -8.862 -10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.293 -11.162 -9.429 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.428 -10.019 -8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.829 -10.616 -8.576 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.430 -10.399 -11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.911 -9.803 -10.923 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.942 -8.704 -11.870 1.00 0.00 H new ATOM 494 N GLY A 37 9.977 -5.862 -9.070 1.00 0.00 N ATOM 495 CA GLY A 37 9.065 -4.905 -8.466 1.00 0.00 C ATOM 496 C GLY A 37 9.034 -5.062 -6.944 1.00 0.00 C ATOM 497 O GLY A 37 9.946 -5.642 -6.358 1.00 0.00 O ATOM 0 H GLY A 37 9.581 -6.790 -9.223 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.372 -3.892 -8.724 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.063 -5.047 -8.870 1.00 0.00 H new ATOM 501 N ILE A 38 7.974 -4.535 -6.349 1.00 0.00 N ATOM 502 CA ILE A 38 7.812 -4.610 -4.907 1.00 0.00 C ATOM 503 C ILE A 38 6.937 -5.815 -4.558 1.00 0.00 C ATOM 504 O ILE A 38 5.847 -5.975 -5.106 1.00 0.00 O ATOM 505 CB ILE A 38 7.280 -3.284 -4.358 1.00 0.00 C ATOM 506 CG1 ILE A 38 8.299 -2.160 -4.557 1.00 0.00 C ATOM 507 CG2 ILE A 38 6.860 -3.426 -2.894 1.00 0.00 C ATOM 508 CD1 ILE A 38 9.560 -2.411 -3.728 1.00 0.00 C ATOM 0 H ILE A 38 7.219 -4.055 -6.839 1.00 0.00 H new ATOM 0 HA ILE A 38 8.776 -4.765 -4.423 1.00 0.00 H new ATOM 0 HB ILE A 38 6.388 -3.013 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.562 -2.085 -5.612 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.855 -1.207 -4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.486 -2.470 -2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.075 -4.178 -2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.719 -3.732 -2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.268 -1.598 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.297 -2.461 -2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.015 -3.353 -4.034 1.00 0.00 H new ATOM 520 N PHE A 39 7.447 -6.633 -3.649 1.00 0.00 N ATOM 521 CA PHE A 39 6.725 -7.819 -3.220 1.00 0.00 C ATOM 522 C PHE A 39 6.439 -7.774 -1.718 1.00 0.00 C ATOM 523 O PHE A 39 7.275 -7.324 -0.936 1.00 0.00 O ATOM 524 CB PHE A 39 7.622 -9.021 -3.521 1.00 0.00 C ATOM 525 CG PHE A 39 7.814 -9.297 -5.013 1.00 0.00 C ATOM 526 CD1 PHE A 39 8.623 -8.494 -5.755 1.00 0.00 C ATOM 527 CD2 PHE A 39 7.175 -10.346 -5.598 1.00 0.00 C ATOM 528 CE1 PHE A 39 8.801 -8.750 -7.140 1.00 0.00 C ATOM 529 CE2 PHE A 39 7.353 -10.602 -6.984 1.00 0.00 C ATOM 530 CZ PHE A 39 8.162 -9.799 -7.725 1.00 0.00 C ATOM 0 H PHE A 39 8.352 -6.498 -3.198 1.00 0.00 H new ATOM 0 HA PHE A 39 5.770 -7.883 -3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.598 -8.856 -3.064 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.195 -9.907 -3.050 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.130 -7.661 -5.290 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.533 -10.984 -5.009 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.443 -8.112 -7.729 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.846 -11.434 -7.449 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.297 -9.994 -8.779 1.00 0.00 H new ATOM 540 N VAL A 40 5.254 -8.246 -1.359 1.00 0.00 N ATOM 541 CA VAL A 40 4.847 -8.266 0.036 1.00 0.00 C ATOM 542 C VAL A 40 5.470 -9.480 0.727 1.00 0.00 C ATOM 543 O VAL A 40 5.646 -10.529 0.110 1.00 0.00 O ATOM 544 CB VAL A 40 3.320 -8.239 0.136 1.00 0.00 C ATOM 545 CG1 VAL A 40 2.870 -8.027 1.582 1.00 0.00 C ATOM 546 CG2 VAL A 40 2.729 -7.170 -0.786 1.00 0.00 C ATOM 0 H VAL A 40 4.562 -8.618 -2.010 1.00 0.00 H new ATOM 0 HA VAL A 40 5.209 -7.377 0.552 1.00 0.00 H new ATOM 0 HB VAL A 40 2.945 -9.208 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.781 -8.012 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.247 -8.840 2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.261 -7.078 1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.643 -7.172 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.115 -6.191 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.008 -7.385 -1.818 1.00 0.00 H new ATOM 556 N SER A 41 5.788 -9.296 2.001 1.00 0.00 N ATOM 557 CA SER A 41 6.388 -10.364 2.783 1.00 0.00 C ATOM 558 C SER A 41 5.552 -10.627 4.037 1.00 0.00 C ATOM 559 O SER A 41 5.239 -11.775 4.349 1.00 0.00 O ATOM 560 CB SER A 41 7.829 -10.021 3.168 1.00 0.00 C ATOM 561 OG SER A 41 7.944 -9.669 4.544 1.00 0.00 O ATOM 0 H SER A 41 5.642 -8.424 2.510 1.00 0.00 H new ATOM 0 HA SER A 41 6.408 -11.266 2.172 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.474 -10.874 2.957 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.182 -9.194 2.551 1.00 0.00 H new ATOM 0 HG SER A 41 8.879 -9.459 4.751 1.00 0.00 H new ATOM 567 N LYS A 42 5.214 -9.545 4.722 1.00 0.00 N ATOM 568 CA LYS A 42 4.420 -9.644 5.935 1.00 0.00 C ATOM 569 C LYS A 42 3.391 -8.512 5.960 1.00 0.00 C ATOM 570 O LYS A 42 3.578 -7.484 5.313 1.00 0.00 O ATOM 571 CB LYS A 42 5.326 -9.679 7.167 1.00 0.00 C ATOM 572 CG LYS A 42 4.523 -10.000 8.429 1.00 0.00 C ATOM 573 CD LYS A 42 4.047 -11.454 8.423 1.00 0.00 C ATOM 574 CE LYS A 42 3.256 -11.778 9.691 1.00 0.00 C ATOM 575 NZ LYS A 42 3.217 -13.240 9.918 1.00 0.00 N ATOM 0 H LYS A 42 5.476 -8.595 4.460 1.00 0.00 H new ATOM 0 HA LYS A 42 3.864 -10.581 5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.106 -10.427 7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.824 -8.717 7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.137 -9.819 9.311 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.664 -9.333 8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.424 -11.633 7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.906 -12.121 8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.713 -11.283 10.548 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.241 -11.391 9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.676 -13.443 10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.761 -13.705 9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.187 -13.601 10.024 1.00 0.00 H new ATOM 589 N VAL A 43 2.326 -8.740 6.715 1.00 0.00 N ATOM 590 CA VAL A 43 1.267 -7.753 6.833 1.00 0.00 C ATOM 591 C VAL A 43 0.813 -7.669 8.292 1.00 0.00 C ATOM 592 O VAL A 43 0.158 -8.581 8.795 1.00 0.00 O ATOM 593 CB VAL A 43 0.126 -8.090 5.871 1.00 0.00 C ATOM 594 CG1 VAL A 43 -1.121 -7.262 6.186 1.00 0.00 C ATOM 595 CG2 VAL A 43 0.560 -7.897 4.416 1.00 0.00 C ATOM 0 H VAL A 43 2.174 -9.594 7.251 1.00 0.00 H new ATOM 0 HA VAL A 43 1.633 -6.766 6.549 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.128 -9.141 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.916 -7.522 5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.450 -7.472 7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.887 -6.202 6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.269 -8.143 3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.854 -6.859 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.405 -8.551 4.198 1.00 0.00 H new ATOM 605 N GLU A 44 1.180 -6.568 8.930 1.00 0.00 N ATOM 606 CA GLU A 44 0.819 -6.354 10.321 1.00 0.00 C ATOM 607 C GLU A 44 -0.598 -6.868 10.587 1.00 0.00 C ATOM 608 O GLU A 44 -1.466 -6.782 9.720 1.00 0.00 O ATOM 609 CB GLU A 44 0.946 -4.877 10.700 1.00 0.00 C ATOM 610 CG GLU A 44 1.674 -4.714 12.036 1.00 0.00 C ATOM 611 CD GLU A 44 1.238 -3.430 12.745 1.00 0.00 C ATOM 612 OE1 GLU A 44 1.798 -2.369 12.392 1.00 0.00 O ATOM 613 OE2 GLU A 44 0.356 -3.538 13.623 1.00 0.00 O ATOM 0 H GLU A 44 1.724 -5.814 8.510 1.00 0.00 H new ATOM 0 HA GLU A 44 1.512 -6.917 10.946 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.488 -4.343 9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.045 -4.428 10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.468 -5.574 12.674 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.751 -4.693 11.867 1.00 0.00 H new ATOM 620 N GLU A 45 -0.787 -7.390 11.790 1.00 0.00 N ATOM 621 CA GLU A 45 -2.084 -7.917 12.181 1.00 0.00 C ATOM 622 C GLU A 45 -3.039 -6.774 12.528 1.00 0.00 C ATOM 623 O GLU A 45 -2.613 -5.732 13.024 1.00 0.00 O ATOM 624 CB GLU A 45 -1.948 -8.893 13.352 1.00 0.00 C ATOM 625 CG GLU A 45 -1.525 -10.280 12.863 1.00 0.00 C ATOM 626 CD GLU A 45 -0.280 -10.767 13.607 1.00 0.00 C ATOM 627 OE1 GLU A 45 -0.451 -11.241 14.751 1.00 0.00 O ATOM 628 OE2 GLU A 45 0.815 -10.654 13.014 1.00 0.00 O ATOM 0 H GLU A 45 -0.064 -7.459 12.507 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.500 -8.468 11.338 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.213 -8.514 14.062 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.897 -8.964 13.883 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.342 -10.987 13.012 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.323 -10.246 11.792 1.00 0.00 H new ATOM 635 N GLY A 46 -4.314 -7.007 12.253 1.00 0.00 N ATOM 636 CA GLY A 46 -5.334 -6.010 12.530 1.00 0.00 C ATOM 637 C GLY A 46 -4.933 -4.645 11.968 1.00 0.00 C ATOM 638 O GLY A 46 -5.341 -3.609 12.491 1.00 0.00 O ATOM 0 H GLY A 46 -4.664 -7.872 11.841 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.282 -6.323 12.093 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.490 -5.933 13.606 1.00 0.00 H new ATOM 642 N SER A 47 -4.137 -4.687 10.909 1.00 0.00 N ATOM 643 CA SER A 47 -3.676 -3.466 10.270 1.00 0.00 C ATOM 644 C SER A 47 -4.661 -3.043 9.178 1.00 0.00 C ATOM 645 O SER A 47 -5.665 -3.716 8.947 1.00 0.00 O ATOM 646 CB SER A 47 -2.276 -3.648 9.680 1.00 0.00 C ATOM 647 OG SER A 47 -2.275 -3.530 8.260 1.00 0.00 O ATOM 0 H SER A 47 -3.800 -5.548 10.478 1.00 0.00 H new ATOM 0 HA SER A 47 -3.623 -2.683 11.026 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.604 -2.903 10.106 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.888 -4.627 9.963 1.00 0.00 H new ATOM 0 HG SER A 47 -1.363 -3.651 7.922 1.00 0.00 H new ATOM 653 N SER A 48 -4.339 -1.931 8.534 1.00 0.00 N ATOM 654 CA SER A 48 -5.183 -1.410 7.472 1.00 0.00 C ATOM 655 C SER A 48 -4.994 -2.239 6.200 1.00 0.00 C ATOM 656 O SER A 48 -5.921 -2.382 5.404 1.00 0.00 O ATOM 657 CB SER A 48 -4.875 0.063 7.196 1.00 0.00 C ATOM 658 OG SER A 48 -5.645 0.933 8.022 1.00 0.00 O ATOM 0 H SER A 48 -3.505 -1.376 8.727 1.00 0.00 H new ATOM 0 HA SER A 48 -6.222 -1.482 7.794 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.814 0.249 7.363 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.076 0.285 6.148 1.00 0.00 H new ATOM 0 HG SER A 48 -5.418 1.864 7.817 1.00 0.00 H new ATOM 664 N ALA A 49 -3.787 -2.763 6.047 1.00 0.00 N ATOM 665 CA ALA A 49 -3.464 -3.574 4.885 1.00 0.00 C ATOM 666 C ALA A 49 -4.355 -4.817 4.873 1.00 0.00 C ATOM 667 O ALA A 49 -5.184 -4.984 3.980 1.00 0.00 O ATOM 668 CB ALA A 49 -1.975 -3.923 4.904 1.00 0.00 C ATOM 0 H ALA A 49 -3.020 -2.642 6.709 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.657 -3.022 3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.733 -4.531 4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.386 -3.006 4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.744 -4.481 5.811 1.00 0.00 H new ATOM 674 N GLU A 50 -4.153 -5.660 5.876 1.00 0.00 N ATOM 675 CA GLU A 50 -4.928 -6.884 5.992 1.00 0.00 C ATOM 676 C GLU A 50 -6.411 -6.598 5.750 1.00 0.00 C ATOM 677 O GLU A 50 -7.150 -7.473 5.302 1.00 0.00 O ATOM 678 CB GLU A 50 -4.712 -7.541 7.357 1.00 0.00 C ATOM 679 CG GLU A 50 -4.335 -9.016 7.201 1.00 0.00 C ATOM 680 CD GLU A 50 -5.016 -9.872 8.270 1.00 0.00 C ATOM 681 OE1 GLU A 50 -4.772 -9.591 9.464 1.00 0.00 O ATOM 682 OE2 GLU A 50 -5.766 -10.789 7.871 1.00 0.00 O ATOM 0 H GLU A 50 -3.464 -5.519 6.615 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.584 -7.583 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.924 -7.016 7.897 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.620 -7.455 7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.625 -9.366 6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.253 -9.128 7.275 1.00 0.00 H new ATOM 689 N ARG A 51 -6.803 -5.370 6.057 1.00 0.00 N ATOM 690 CA ARG A 51 -8.185 -4.958 5.878 1.00 0.00 C ATOM 691 C ARG A 51 -8.405 -4.444 4.453 1.00 0.00 C ATOM 692 O ARG A 51 -9.463 -4.665 3.867 1.00 0.00 O ATOM 693 CB ARG A 51 -8.566 -3.861 6.873 1.00 0.00 C ATOM 694 CG ARG A 51 -8.858 -4.451 8.254 1.00 0.00 C ATOM 695 CD ARG A 51 -9.825 -3.562 9.037 1.00 0.00 C ATOM 696 NE ARG A 51 -10.227 -4.234 10.293 1.00 0.00 N ATOM 697 CZ ARG A 51 -10.962 -3.655 11.253 1.00 0.00 C ATOM 698 NH1 ARG A 51 -11.380 -2.391 11.107 1.00 0.00 N ATOM 699 NH2 ARG A 51 -11.279 -4.342 12.360 1.00 0.00 N ATOM 0 H ARG A 51 -6.187 -4.647 6.429 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.816 -5.829 6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.756 -3.135 6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.443 -3.324 6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.283 -5.449 8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.927 -4.561 8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.352 -2.606 9.262 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.706 -3.347 8.432 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.926 -5.198 10.437 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.139 -1.868 10.265 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.939 -1.951 11.838 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.961 -5.305 12.471 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.838 -3.902 13.091 1.00 0.00 H new ATOM 713 N ALA A 52 -7.388 -3.769 3.939 1.00 0.00 N ATOM 714 CA ALA A 52 -7.457 -3.221 2.594 1.00 0.00 C ATOM 715 C ALA A 52 -7.577 -4.367 1.587 1.00 0.00 C ATOM 716 O ALA A 52 -8.057 -4.170 0.472 1.00 0.00 O ATOM 717 CB ALA A 52 -6.231 -2.344 2.336 1.00 0.00 C ATOM 0 H ALA A 52 -6.512 -3.589 4.429 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.338 -2.589 2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.283 -1.933 1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.208 -1.529 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.327 -2.944 2.437 1.00 0.00 H new ATOM 723 N GLY A 53 -7.132 -5.539 2.017 1.00 0.00 N ATOM 724 CA GLY A 53 -7.183 -6.716 1.167 1.00 0.00 C ATOM 725 C GLY A 53 -5.777 -7.243 0.876 1.00 0.00 C ATOM 726 O GLY A 53 -5.619 -8.271 0.219 1.00 0.00 O ATOM 0 H GLY A 53 -6.735 -5.698 2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.774 -7.494 1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.685 -6.471 0.231 1.00 0.00 H new ATOM 730 N LEU A 54 -4.790 -6.515 1.378 1.00 0.00 N ATOM 731 CA LEU A 54 -3.402 -6.897 1.180 1.00 0.00 C ATOM 732 C LEU A 54 -3.079 -8.104 2.062 1.00 0.00 C ATOM 733 O LEU A 54 -3.399 -8.113 3.250 1.00 0.00 O ATOM 734 CB LEU A 54 -2.479 -5.699 1.414 1.00 0.00 C ATOM 735 CG LEU A 54 -1.018 -5.888 1.000 1.00 0.00 C ATOM 736 CD1 LEU A 54 -0.894 -6.042 -0.517 1.00 0.00 C ATOM 737 CD2 LEU A 54 -0.146 -4.750 1.534 1.00 0.00 C ATOM 0 H LEU A 54 -4.924 -5.662 1.922 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.234 -7.203 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.882 -4.844 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.506 -5.446 2.474 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.652 -6.812 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.154 -6.175 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.465 -6.912 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.283 -5.149 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.888 -4.908 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.502 -3.800 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.201 -4.729 2.622 1.00 0.00 H new ATOM 749 N CYS A 55 -2.449 -9.094 1.447 1.00 0.00 N ATOM 750 CA CYS A 55 -2.079 -10.304 2.162 1.00 0.00 C ATOM 751 C CYS A 55 -0.590 -10.566 1.924 1.00 0.00 C ATOM 752 O CYS A 55 0.078 -9.793 1.240 1.00 0.00 O ATOM 753 CB CYS A 55 -2.942 -11.496 1.742 1.00 0.00 C ATOM 754 SG CYS A 55 -3.352 -12.517 3.204 1.00 0.00 S ATOM 0 H CYS A 55 -2.185 -9.083 0.462 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.258 -10.168 3.229 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.857 -11.143 1.266 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.411 -12.098 1.005 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.087 -13.525 2.837 1.00 0.00 H new ATOM 760 N VAL A 56 -0.115 -11.659 2.502 1.00 0.00 N ATOM 761 CA VAL A 56 1.282 -12.033 2.362 1.00 0.00 C ATOM 762 C VAL A 56 1.453 -12.889 1.105 1.00 0.00 C ATOM 763 O VAL A 56 0.614 -13.738 0.809 1.00 0.00 O ATOM 764 CB VAL A 56 1.767 -12.734 3.632 1.00 0.00 C ATOM 765 CG1 VAL A 56 2.978 -13.622 3.341 1.00 0.00 C ATOM 766 CG2 VAL A 56 2.083 -11.719 4.732 1.00 0.00 C ATOM 0 H VAL A 56 -0.673 -12.298 3.069 1.00 0.00 H new ATOM 0 HA VAL A 56 1.903 -11.146 2.239 1.00 0.00 H new ATOM 0 HB VAL A 56 0.961 -13.375 3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.302 -14.108 4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.705 -14.380 2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.791 -13.011 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.426 -12.244 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.864 -11.041 4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.185 -11.148 4.969 1.00 0.00 H new ATOM 776 N GLY A 57 2.545 -12.635 0.399 1.00 0.00 N ATOM 777 CA GLY A 57 2.837 -13.371 -0.820 1.00 0.00 C ATOM 778 C GLY A 57 2.393 -12.585 -2.055 1.00 0.00 C ATOM 779 O GLY A 57 2.639 -13.006 -3.184 1.00 0.00 O ATOM 0 H GLY A 57 3.239 -11.930 0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.906 -13.574 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.330 -14.336 -0.797 1.00 0.00 H new ATOM 783 N ASP A 58 1.747 -11.457 -1.798 1.00 0.00 N ATOM 784 CA ASP A 58 1.266 -10.608 -2.876 1.00 0.00 C ATOM 785 C ASP A 58 2.457 -9.917 -3.543 1.00 0.00 C ATOM 786 O ASP A 58 3.527 -9.802 -2.948 1.00 0.00 O ATOM 787 CB ASP A 58 0.326 -9.524 -2.345 1.00 0.00 C ATOM 788 CG ASP A 58 -1.106 -9.988 -2.071 1.00 0.00 C ATOM 789 OD1 ASP A 58 -1.302 -10.630 -1.017 1.00 0.00 O ATOM 790 OD2 ASP A 58 -1.972 -9.688 -2.921 1.00 0.00 O ATOM 0 H ASP A 58 1.545 -11.111 -0.860 1.00 0.00 H new ATOM 0 HA ASP A 58 0.727 -11.235 -3.586 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.744 -9.121 -1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.296 -8.706 -3.065 1.00 0.00 H new ATOM 795 N LYS A 59 2.230 -9.473 -4.771 1.00 0.00 N ATOM 796 CA LYS A 59 3.270 -8.796 -5.526 1.00 0.00 C ATOM 797 C LYS A 59 2.727 -7.467 -6.055 1.00 0.00 C ATOM 798 O LYS A 59 1.974 -7.442 -7.026 1.00 0.00 O ATOM 799 CB LYS A 59 3.822 -9.713 -6.619 1.00 0.00 C ATOM 800 CG LYS A 59 4.771 -8.951 -7.547 1.00 0.00 C ATOM 801 CD LYS A 59 4.888 -9.648 -8.904 1.00 0.00 C ATOM 802 CE LYS A 59 5.686 -8.794 -9.892 1.00 0.00 C ATOM 803 NZ LYS A 59 5.316 -9.131 -11.285 1.00 0.00 N ATOM 0 H LYS A 59 1.341 -9.569 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 59 4.117 -8.561 -4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.349 -10.552 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.999 -10.131 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.408 -7.933 -7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.756 -8.878 -7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.374 -10.616 -8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.893 -9.840 -9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.496 -7.737 -9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.753 -8.957 -9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.867 -8.543 -11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.520 -10.135 -11.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.301 -8.953 -11.428 1.00 0.00 H new ATOM 817 N ILE A 60 3.132 -6.393 -5.391 1.00 0.00 N ATOM 818 CA ILE A 60 2.696 -5.063 -5.782 1.00 0.00 C ATOM 819 C ILE A 60 3.404 -4.659 -7.076 1.00 0.00 C ATOM 820 O ILE A 60 4.632 -4.593 -7.122 1.00 0.00 O ATOM 821 CB ILE A 60 2.900 -4.073 -4.633 1.00 0.00 C ATOM 822 CG1 ILE A 60 2.017 -4.433 -3.436 1.00 0.00 C ATOM 823 CG2 ILE A 60 2.672 -2.635 -5.102 1.00 0.00 C ATOM 824 CD1 ILE A 60 2.814 -4.375 -2.131 1.00 0.00 C ATOM 0 H ILE A 60 3.757 -6.417 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 60 1.626 -5.058 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 60 3.936 -4.143 -4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.173 -3.745 -3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.605 -5.433 -3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.823 -1.952 -4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.377 -2.396 -5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.653 -2.531 -5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.164 -4.635 -1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.643 -5.081 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.204 -3.367 -1.987 1.00 0.00 H new ATOM 836 N THR A 61 2.601 -4.397 -8.097 1.00 0.00 N ATOM 837 CA THR A 61 3.136 -4.001 -9.388 1.00 0.00 C ATOM 838 C THR A 61 2.964 -2.495 -9.597 1.00 0.00 C ATOM 839 O THR A 61 3.622 -1.904 -10.452 1.00 0.00 O ATOM 840 CB THR A 61 2.449 -4.845 -10.464 1.00 0.00 C ATOM 841 OG1 THR A 61 1.086 -4.433 -10.411 1.00 0.00 O ATOM 842 CG2 THR A 61 2.404 -6.331 -10.101 1.00 0.00 C ATOM 0 H THR A 61 1.583 -4.451 -8.056 1.00 0.00 H new ATOM 0 HA THR A 61 4.209 -4.186 -9.445 1.00 0.00 H new ATOM 0 HB THR A 61 2.970 -4.718 -11.413 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.647 -4.854 -9.643 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.907 -6.885 -10.897 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.420 -6.706 -9.978 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.853 -6.461 -9.169 1.00 0.00 H new ATOM 850 N GLU A 62 2.076 -1.917 -8.800 1.00 0.00 N ATOM 851 CA GLU A 62 1.810 -0.491 -8.887 1.00 0.00 C ATOM 852 C GLU A 62 1.145 0.004 -7.601 1.00 0.00 C ATOM 853 O GLU A 62 0.561 -0.783 -6.857 1.00 0.00 O ATOM 854 CB GLU A 62 0.949 -0.167 -10.109 1.00 0.00 C ATOM 855 CG GLU A 62 0.468 1.285 -10.073 1.00 0.00 C ATOM 856 CD GLU A 62 -0.253 1.657 -11.370 1.00 0.00 C ATOM 857 OE1 GLU A 62 0.423 1.639 -12.421 1.00 0.00 O ATOM 858 OE2 GLU A 62 -1.465 1.950 -11.281 1.00 0.00 O ATOM 0 H GLU A 62 1.532 -2.410 -8.092 1.00 0.00 H new ATOM 0 HA GLU A 62 2.760 0.029 -9.005 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.523 -0.341 -11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.090 -0.837 -10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.203 1.429 -9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.319 1.950 -9.922 1.00 0.00 H new ATOM 865 N VAL A 63 1.254 1.305 -7.379 1.00 0.00 N ATOM 866 CA VAL A 63 0.670 1.914 -6.196 1.00 0.00 C ATOM 867 C VAL A 63 0.452 3.407 -6.451 1.00 0.00 C ATOM 868 O VAL A 63 1.322 4.080 -7.002 1.00 0.00 O ATOM 869 CB VAL A 63 1.552 1.639 -4.976 1.00 0.00 C ATOM 870 CG1 VAL A 63 3.032 1.833 -5.314 1.00 0.00 C ATOM 871 CG2 VAL A 63 1.140 2.516 -3.792 1.00 0.00 C ATOM 0 H VAL A 63 1.738 1.955 -7.998 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.304 1.475 -5.982 1.00 0.00 H new ATOM 0 HB VAL A 63 1.408 0.598 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.637 1.631 -4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.316 1.147 -6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.199 2.859 -5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.783 2.300 -2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.240 3.566 -4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.103 2.307 -3.528 1.00 0.00 H new ATOM 881 N ASN A 64 -0.714 3.881 -6.037 1.00 0.00 N ATOM 882 CA ASN A 64 -1.058 5.282 -6.214 1.00 0.00 C ATOM 883 C ASN A 64 -0.877 5.665 -7.684 1.00 0.00 C ATOM 884 O ASN A 64 -0.718 6.841 -8.007 1.00 0.00 O ATOM 885 CB ASN A 64 -0.149 6.182 -5.375 1.00 0.00 C ATOM 886 CG ASN A 64 -0.967 7.214 -4.596 1.00 0.00 C ATOM 887 OD1 ASN A 64 -1.716 7.999 -5.154 1.00 0.00 O ATOM 888 ND2 ASN A 64 -0.781 7.170 -3.280 1.00 0.00 N ATOM 0 H ASN A 64 -1.433 3.320 -5.580 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.092 5.418 -5.897 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.431 5.574 -4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.563 6.692 -6.024 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.281 7.819 -2.672 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.139 6.487 -2.878 1.00 0.00 H new ATOM 895 N GLY A 65 -0.906 4.650 -8.535 1.00 0.00 N ATOM 896 CA GLY A 65 -0.747 4.867 -9.963 1.00 0.00 C ATOM 897 C GLY A 65 0.697 4.612 -10.399 1.00 0.00 C ATOM 898 O GLY A 65 0.937 3.979 -11.426 1.00 0.00 O ATOM 0 H GLY A 65 -1.037 3.676 -8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.418 4.206 -10.512 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.031 5.889 -10.213 1.00 0.00 H new ATOM 902 N LEU A 66 1.622 5.117 -9.596 1.00 0.00 N ATOM 903 CA LEU A 66 3.036 4.952 -9.886 1.00 0.00 C ATOM 904 C LEU A 66 3.369 3.460 -9.944 1.00 0.00 C ATOM 905 O LEU A 66 3.144 2.732 -8.979 1.00 0.00 O ATOM 906 CB LEU A 66 3.884 5.733 -8.879 1.00 0.00 C ATOM 907 CG LEU A 66 4.172 7.193 -9.234 1.00 0.00 C ATOM 908 CD1 LEU A 66 5.560 7.341 -9.860 1.00 0.00 C ATOM 909 CD2 LEU A 66 3.074 7.765 -10.133 1.00 0.00 C ATOM 0 H LEU A 66 1.420 5.641 -8.744 1.00 0.00 H new ATOM 0 HA LEU A 66 3.276 5.371 -10.863 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.380 5.707 -7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.835 5.215 -8.756 1.00 0.00 H new ATOM 0 HG LEU A 66 4.170 7.776 -8.313 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.740 8.388 -10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.316 6.997 -9.154 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.615 6.743 -10.770 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.303 8.804 -10.371 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.020 7.185 -11.055 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.116 7.714 -9.615 1.00 0.00 H new ATOM 921 N SER A 67 3.901 3.050 -11.086 1.00 0.00 N ATOM 922 CA SER A 67 4.268 1.658 -11.284 1.00 0.00 C ATOM 923 C SER A 67 5.626 1.377 -10.637 1.00 0.00 C ATOM 924 O SER A 67 6.563 2.159 -10.789 1.00 0.00 O ATOM 925 CB SER A 67 4.305 1.303 -12.771 1.00 0.00 C ATOM 926 OG SER A 67 4.323 2.465 -13.597 1.00 0.00 O ATOM 0 H SER A 67 4.087 3.658 -11.884 1.00 0.00 H new ATOM 0 HA SER A 67 3.510 1.035 -10.809 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.188 0.698 -12.977 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.436 0.694 -13.020 1.00 0.00 H new ATOM 0 HG SER A 67 4.348 2.196 -14.539 1.00 0.00 H new ATOM 932 N LEU A 68 5.689 0.259 -9.929 1.00 0.00 N ATOM 933 CA LEU A 68 6.916 -0.134 -9.258 1.00 0.00 C ATOM 934 C LEU A 68 7.537 -1.322 -9.995 1.00 0.00 C ATOM 935 O LEU A 68 8.087 -2.227 -9.369 1.00 0.00 O ATOM 936 CB LEU A 68 6.655 -0.399 -7.774 1.00 0.00 C ATOM 937 CG LEU A 68 5.729 0.594 -7.068 1.00 0.00 C ATOM 938 CD1 LEU A 68 5.457 0.160 -5.627 1.00 0.00 C ATOM 939 CD2 LEU A 68 6.290 2.015 -7.143 1.00 0.00 C ATOM 0 H LEU A 68 4.910 -0.387 -9.805 1.00 0.00 H new ATOM 0 HA LEU A 68 7.644 0.677 -9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.229 -1.397 -7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.612 -0.406 -7.253 1.00 0.00 H new ATOM 0 HG LEU A 68 4.771 0.598 -7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.797 0.883 -5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.983 -0.821 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.398 0.109 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.613 2.701 -6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.268 2.046 -6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.390 2.312 -8.187 1.00 0.00 H new ATOM 951 N GLU A 69 7.428 -1.281 -11.315 1.00 0.00 N ATOM 952 CA GLU A 69 7.972 -2.343 -12.144 1.00 0.00 C ATOM 953 C GLU A 69 9.410 -2.016 -12.550 1.00 0.00 C ATOM 954 O GLU A 69 10.058 -2.801 -13.242 1.00 0.00 O ATOM 955 CB GLU A 69 7.095 -2.581 -13.375 1.00 0.00 C ATOM 956 CG GLU A 69 6.030 -3.643 -13.094 1.00 0.00 C ATOM 957 CD GLU A 69 5.880 -4.597 -14.280 1.00 0.00 C ATOM 958 OE1 GLU A 69 6.783 -5.445 -14.444 1.00 0.00 O ATOM 959 OE2 GLU A 69 4.865 -4.457 -14.996 1.00 0.00 O ATOM 0 H GLU A 69 6.971 -0.529 -11.831 1.00 0.00 H new ATOM 0 HA GLU A 69 7.981 -3.264 -11.561 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.614 -1.648 -13.669 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.716 -2.897 -14.213 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.300 -4.207 -12.201 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.075 -3.160 -12.889 1.00 0.00 H new ATOM 966 N SER A 70 9.869 -0.857 -12.102 1.00 0.00 N ATOM 967 CA SER A 70 11.219 -0.416 -12.410 1.00 0.00 C ATOM 968 C SER A 70 11.646 0.683 -11.435 1.00 0.00 C ATOM 969 O SER A 70 12.367 1.605 -11.811 1.00 0.00 O ATOM 970 CB SER A 70 11.319 0.085 -13.852 1.00 0.00 C ATOM 971 OG SER A 70 12.341 -0.590 -14.582 1.00 0.00 O ATOM 0 H SER A 70 9.330 -0.209 -11.528 1.00 0.00 H new ATOM 0 HA SER A 70 11.890 -1.268 -12.303 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.361 -0.058 -14.353 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.522 1.156 -13.851 1.00 0.00 H new ATOM 0 HG SER A 70 12.372 -0.243 -15.498 1.00 0.00 H new ATOM 977 N THR A 71 11.182 0.548 -10.201 1.00 0.00 N ATOM 978 CA THR A 71 11.507 1.518 -9.169 1.00 0.00 C ATOM 979 C THR A 71 12.079 0.814 -7.937 1.00 0.00 C ATOM 980 O THR A 71 11.805 -0.362 -7.706 1.00 0.00 O ATOM 981 CB THR A 71 10.247 2.334 -8.874 1.00 0.00 C ATOM 982 OG1 THR A 71 10.424 3.531 -9.625 1.00 0.00 O ATOM 983 CG2 THR A 71 10.186 2.811 -7.421 1.00 0.00 C ATOM 0 H THR A 71 10.584 -0.218 -9.893 1.00 0.00 H new ATOM 0 HA THR A 71 12.285 2.205 -9.502 1.00 0.00 H new ATOM 0 HB THR A 71 9.365 1.733 -9.097 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.650 4.118 -9.492 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.273 3.385 -7.265 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.191 1.949 -6.754 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.051 3.440 -7.208 1.00 0.00 H new ATOM 991 N THR A 72 12.863 1.565 -7.177 1.00 0.00 N ATOM 992 CA THR A 72 13.476 1.028 -5.974 1.00 0.00 C ATOM 993 C THR A 72 12.409 0.741 -4.915 1.00 0.00 C ATOM 994 O THR A 72 11.220 0.694 -5.224 1.00 0.00 O ATOM 995 CB THR A 72 14.545 2.017 -5.506 1.00 0.00 C ATOM 996 OG1 THR A 72 13.805 3.170 -5.115 1.00 0.00 O ATOM 997 CG2 THR A 72 15.427 2.513 -6.655 1.00 0.00 C ATOM 0 H THR A 72 13.088 2.541 -7.371 1.00 0.00 H new ATOM 0 HA THR A 72 13.961 0.072 -6.170 1.00 0.00 H new ATOM 0 HB THR A 72 15.168 1.545 -4.747 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.422 3.862 -4.796 1.00 0.00 H new ATOM 0 HG21 THR A 72 16.169 3.212 -6.269 1.00 0.00 H new ATOM 0 HG22 THR A 72 15.933 1.665 -7.117 1.00 0.00 H new ATOM 0 HG23 THR A 72 14.808 3.015 -7.398 1.00 0.00 H new ATOM 1005 N MET A 73 12.874 0.556 -3.688 1.00 0.00 N ATOM 1006 CA MET A 73 11.975 0.275 -2.582 1.00 0.00 C ATOM 1007 C MET A 73 11.607 1.558 -1.834 1.00 0.00 C ATOM 1008 O MET A 73 10.429 1.840 -1.621 1.00 0.00 O ATOM 1009 CB MET A 73 12.645 -0.705 -1.616 1.00 0.00 C ATOM 1010 CG MET A 73 11.745 -0.989 -0.412 1.00 0.00 C ATOM 1011 SD MET A 73 11.973 -2.672 0.137 1.00 0.00 S ATOM 1012 CE MET A 73 10.600 -3.457 -0.692 1.00 0.00 C ATOM 0 H MET A 73 13.862 0.595 -3.436 1.00 0.00 H new ATOM 0 HA MET A 73 11.061 -0.163 -2.984 1.00 0.00 H new ATOM 0 HB2 MET A 73 12.869 -1.637 -2.135 1.00 0.00 H new ATOM 0 HB3 MET A 73 13.595 -0.293 -1.275 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.979 -0.299 0.398 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.702 -0.823 -0.680 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.269 -4.318 -0.112 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.779 -2.747 -0.788 1.00 0.00 H new ATOM 0 HE3 MET A 73 10.913 -3.786 -1.683 1.00 0.00 H new ATOM 1022 N GLY A 74 12.637 2.301 -1.457 1.00 0.00 N ATOM 1023 CA GLY A 74 12.437 3.548 -0.738 1.00 0.00 C ATOM 1024 C GLY A 74 11.339 4.388 -1.393 1.00 0.00 C ATOM 1025 O GLY A 74 10.293 4.627 -0.791 1.00 0.00 O ATOM 0 H GLY A 74 13.613 2.064 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.169 3.336 0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.369 4.113 -0.717 1.00 0.00 H new ATOM 1029 N SER A 75 11.615 4.814 -2.617 1.00 0.00 N ATOM 1030 CA SER A 75 10.663 5.622 -3.360 1.00 0.00 C ATOM 1031 C SER A 75 9.240 5.126 -3.101 1.00 0.00 C ATOM 1032 O SER A 75 8.407 5.864 -2.577 1.00 0.00 O ATOM 1033 CB SER A 75 10.970 5.596 -4.859 1.00 0.00 C ATOM 1034 OG SER A 75 11.585 6.804 -5.299 1.00 0.00 O ATOM 0 H SER A 75 12.484 4.615 -3.113 1.00 0.00 H new ATOM 0 HA SER A 75 10.749 6.653 -3.017 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.626 4.754 -5.080 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.047 5.436 -5.415 1.00 0.00 H new ATOM 0 HG SER A 75 11.767 6.747 -6.260 1.00 0.00 H new ATOM 1040 N ALA A 76 9.004 3.878 -3.481 1.00 0.00 N ATOM 1041 CA ALA A 76 7.695 3.275 -3.296 1.00 0.00 C ATOM 1042 C ALA A 76 7.173 3.616 -1.899 1.00 0.00 C ATOM 1043 O ALA A 76 6.026 4.033 -1.746 1.00 0.00 O ATOM 1044 CB ALA A 76 7.791 1.766 -3.530 1.00 0.00 C ATOM 0 H ALA A 76 9.697 3.269 -3.916 1.00 0.00 H new ATOM 0 HA ALA A 76 6.984 3.673 -4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.809 1.313 -3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.138 1.577 -4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.495 1.332 -2.820 1.00 0.00 H new ATOM 1050 N VAL A 77 8.040 3.427 -0.916 1.00 0.00 N ATOM 1051 CA VAL A 77 7.681 3.710 0.464 1.00 0.00 C ATOM 1052 C VAL A 77 7.459 5.214 0.630 1.00 0.00 C ATOM 1053 O VAL A 77 6.365 5.648 0.987 1.00 0.00 O ATOM 1054 CB VAL A 77 8.750 3.155 1.407 1.00 0.00 C ATOM 1055 CG1 VAL A 77 8.398 3.447 2.867 1.00 0.00 C ATOM 1056 CG2 VAL A 77 8.956 1.656 1.182 1.00 0.00 C ATOM 0 H VAL A 77 8.991 3.081 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 77 6.747 3.213 0.726 1.00 0.00 H new ATOM 0 HB VAL A 77 9.690 3.659 1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.174 3.042 3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.326 4.524 3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.442 2.983 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.721 1.287 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.020 1.128 1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.274 1.483 0.154 1.00 0.00 H new ATOM 1066 N LYS A 78 8.514 5.969 0.362 1.00 0.00 N ATOM 1067 CA LYS A 78 8.448 7.416 0.478 1.00 0.00 C ATOM 1068 C LYS A 78 7.120 7.909 -0.099 1.00 0.00 C ATOM 1069 O LYS A 78 6.538 8.869 0.405 1.00 0.00 O ATOM 1070 CB LYS A 78 9.676 8.062 -0.168 1.00 0.00 C ATOM 1071 CG LYS A 78 10.400 8.975 0.824 1.00 0.00 C ATOM 1072 CD LYS A 78 11.020 10.178 0.110 1.00 0.00 C ATOM 1073 CE LYS A 78 12.224 10.715 0.885 1.00 0.00 C ATOM 1074 NZ LYS A 78 12.253 12.194 0.836 1.00 0.00 N ATOM 0 H LYS A 78 9.420 5.606 0.065 1.00 0.00 H new ATOM 0 HA LYS A 78 8.472 7.716 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.357 7.287 -0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.371 8.638 -1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.699 9.320 1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.178 8.413 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.329 9.889 -0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.273 10.965 0.000 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.176 10.380 1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.145 10.313 0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.076 12.543 1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.321 12.507 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.382 12.573 1.260 1.00 0.00 H new ATOM 1088 N VAL A 79 6.678 7.230 -1.147 1.00 0.00 N ATOM 1089 CA VAL A 79 5.428 7.587 -1.797 1.00 0.00 C ATOM 1090 C VAL A 79 4.258 7.025 -0.988 1.00 0.00 C ATOM 1091 O VAL A 79 3.273 7.722 -0.748 1.00 0.00 O ATOM 1092 CB VAL A 79 5.438 7.105 -3.249 1.00 0.00 C ATOM 1093 CG1 VAL A 79 4.138 7.484 -3.961 1.00 0.00 C ATOM 1094 CG2 VAL A 79 6.654 7.650 -4.001 1.00 0.00 C ATOM 0 H VAL A 79 7.163 6.435 -1.562 1.00 0.00 H new ATOM 0 HA VAL A 79 5.309 8.670 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 79 5.511 6.017 -3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.171 7.130 -4.991 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.294 7.025 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.022 8.568 -3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.636 7.292 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.627 8.740 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.567 7.307 -3.514 1.00 0.00 H new ATOM 1104 N LEU A 80 4.405 5.770 -0.589 1.00 0.00 N ATOM 1105 CA LEU A 80 3.372 5.106 0.189 1.00 0.00 C ATOM 1106 C LEU A 80 3.149 5.875 1.493 1.00 0.00 C ATOM 1107 O LEU A 80 2.039 5.895 2.023 1.00 0.00 O ATOM 1108 CB LEU A 80 3.722 3.632 0.396 1.00 0.00 C ATOM 1109 CG LEU A 80 3.463 2.707 -0.795 1.00 0.00 C ATOM 1110 CD1 LEU A 80 4.626 1.733 -0.997 1.00 0.00 C ATOM 1111 CD2 LEU A 80 2.126 1.979 -0.644 1.00 0.00 C ATOM 0 H LEU A 80 5.224 5.195 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 80 2.425 5.112 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.777 3.563 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.154 3.261 1.249 1.00 0.00 H new ATOM 0 HG LEU A 80 3.396 3.320 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.416 1.087 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.542 2.294 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.750 1.123 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.967 1.328 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.139 1.380 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.319 2.709 -0.587 1.00 0.00 H new ATOM 1123 N THR A 81 4.221 6.488 1.972 1.00 0.00 N ATOM 1124 CA THR A 81 4.156 7.255 3.204 1.00 0.00 C ATOM 1125 C THR A 81 3.727 8.695 2.914 1.00 0.00 C ATOM 1126 O THR A 81 3.705 9.533 3.814 1.00 0.00 O ATOM 1127 CB THR A 81 5.517 7.155 3.896 1.00 0.00 C ATOM 1128 OG1 THR A 81 6.457 7.297 2.835 1.00 0.00 O ATOM 1129 CG2 THR A 81 5.790 5.755 4.451 1.00 0.00 C ATOM 0 H THR A 81 5.140 6.469 1.529 1.00 0.00 H new ATOM 0 HA THR A 81 3.401 6.854 3.880 1.00 0.00 H new ATOM 0 HB THR A 81 5.567 7.883 4.706 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.685 6.413 2.479 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.768 5.739 4.932 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.023 5.497 5.181 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.774 5.031 3.636 1.00 0.00 H new ATOM 1137 N SER A 82 3.397 8.937 1.654 1.00 0.00 N ATOM 1138 CA SER A 82 2.969 10.261 1.234 1.00 0.00 C ATOM 1139 C SER A 82 1.721 10.153 0.356 1.00 0.00 C ATOM 1140 O SER A 82 1.824 10.018 -0.862 1.00 0.00 O ATOM 1141 CB SER A 82 4.086 10.987 0.481 1.00 0.00 C ATOM 1142 OG SER A 82 3.825 12.382 0.355 1.00 0.00 O ATOM 0 H SER A 82 3.417 8.239 0.910 1.00 0.00 H new ATOM 0 HA SER A 82 2.730 10.842 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.031 10.841 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.200 10.548 -0.510 1.00 0.00 H new ATOM 0 HG SER A 82 4.561 12.810 -0.130 1.00 0.00 H new ATOM 1148 N SER A 83 0.570 10.218 1.009 1.00 0.00 N ATOM 1149 CA SER A 83 -0.697 10.130 0.304 1.00 0.00 C ATOM 1150 C SER A 83 -1.808 9.719 1.272 1.00 0.00 C ATOM 1151 O SER A 83 -1.585 8.909 2.171 1.00 0.00 O ATOM 1152 CB SER A 83 -0.613 9.138 -0.858 1.00 0.00 C ATOM 1153 OG SER A 83 -0.409 9.794 -2.106 1.00 0.00 O ATOM 0 H SER A 83 0.489 10.331 2.019 1.00 0.00 H new ATOM 0 HA SER A 83 -0.927 11.113 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.203 8.438 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.531 8.553 -0.902 1.00 0.00 H new ATOM 0 HG SER A 83 0.505 10.144 -2.146 1.00 0.00 H new ATOM 1159 N SER A 84 -2.981 10.297 1.057 1.00 0.00 N ATOM 1160 CA SER A 84 -4.127 10.001 1.900 1.00 0.00 C ATOM 1161 C SER A 84 -5.007 8.942 1.234 1.00 0.00 C ATOM 1162 O SER A 84 -6.227 8.957 1.387 1.00 0.00 O ATOM 1163 CB SER A 84 -4.941 11.265 2.185 1.00 0.00 C ATOM 1164 OG SER A 84 -4.129 12.321 2.690 1.00 0.00 O ATOM 0 H SER A 84 -3.162 10.969 0.311 1.00 0.00 H new ATOM 0 HA SER A 84 -3.762 9.614 2.851 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.434 11.593 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.726 11.036 2.905 1.00 0.00 H new ATOM 0 HG SER A 84 -4.685 13.110 2.857 1.00 0.00 H new ATOM 1170 N ARG A 85 -4.353 8.047 0.508 1.00 0.00 N ATOM 1171 CA ARG A 85 -5.061 6.982 -0.182 1.00 0.00 C ATOM 1172 C ARG A 85 -4.119 6.257 -1.146 1.00 0.00 C ATOM 1173 O ARG A 85 -3.840 6.752 -2.237 1.00 0.00 O ATOM 1174 CB ARG A 85 -6.256 7.531 -0.964 1.00 0.00 C ATOM 1175 CG ARG A 85 -7.574 7.016 -0.383 1.00 0.00 C ATOM 1176 CD ARG A 85 -8.761 7.817 -0.923 1.00 0.00 C ATOM 1177 NE ARG A 85 -8.745 7.809 -2.403 1.00 0.00 N ATOM 1178 CZ ARG A 85 -9.432 8.669 -3.166 1.00 0.00 C ATOM 1179 NH1 ARG A 85 -10.195 9.611 -2.594 1.00 0.00 N ATOM 1180 NH2 ARG A 85 -9.358 8.588 -4.502 1.00 0.00 N ATOM 0 H ARG A 85 -3.341 8.037 0.383 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.425 6.283 0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.243 8.621 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.176 7.237 -2.011 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.698 5.962 -0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.548 7.086 0.704 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.695 7.389 -0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.716 8.842 -0.556 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.175 7.104 -2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.252 9.673 -1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.718 10.266 -3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.778 7.871 -4.938 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.882 9.243 -5.082 1.00 0.00 H new ATOM 1194 N LEU A 86 -3.656 5.095 -0.709 1.00 0.00 N ATOM 1195 CA LEU A 86 -2.751 4.297 -1.519 1.00 0.00 C ATOM 1196 C LEU A 86 -3.561 3.285 -2.333 1.00 0.00 C ATOM 1197 O LEU A 86 -4.417 2.589 -1.789 1.00 0.00 O ATOM 1198 CB LEU A 86 -1.670 3.659 -0.645 1.00 0.00 C ATOM 1199 CG LEU A 86 -0.779 4.628 0.134 1.00 0.00 C ATOM 1200 CD1 LEU A 86 -1.620 5.624 0.934 1.00 0.00 C ATOM 1201 CD2 LEU A 86 0.210 3.870 1.022 1.00 0.00 C ATOM 0 H LEU A 86 -3.891 4.687 0.196 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.220 4.928 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.154 2.990 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.034 3.043 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.193 5.204 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.962 6.301 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.249 6.198 0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.249 5.083 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.831 4.582 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.339 3.252 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.843 3.235 0.402 1.00 0.00 H new ATOM 1213 N HIS A 87 -3.262 3.236 -3.623 1.00 0.00 N ATOM 1214 CA HIS A 87 -3.951 2.321 -4.516 1.00 0.00 C ATOM 1215 C HIS A 87 -2.942 1.354 -5.139 1.00 0.00 C ATOM 1216 O HIS A 87 -2.385 1.632 -6.200 1.00 0.00 O ATOM 1217 CB HIS A 87 -4.760 3.090 -5.563 1.00 0.00 C ATOM 1218 CG HIS A 87 -5.006 2.318 -6.837 1.00 0.00 C ATOM 1219 ND1 HIS A 87 -4.444 2.675 -8.051 1.00 0.00 N ATOM 1220 CD2 HIS A 87 -5.759 1.205 -7.074 1.00 0.00 C ATOM 1221 CE1 HIS A 87 -4.848 1.809 -8.969 1.00 0.00 C ATOM 1222 NE2 HIS A 87 -5.663 0.900 -8.362 1.00 0.00 N ATOM 0 H HIS A 87 -2.552 3.815 -4.071 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.669 1.727 -3.951 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.720 3.372 -5.130 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.236 4.014 -5.806 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.335 0.664 -6.338 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.579 1.821 -10.015 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.123 0.115 -8.822 1.00 0.00 H new ATOM 1230 N MET A 88 -2.738 0.240 -4.453 1.00 0.00 N ATOM 1231 CA MET A 88 -1.806 -0.770 -4.926 1.00 0.00 C ATOM 1232 C MET A 88 -2.510 -1.788 -5.825 1.00 0.00 C ATOM 1233 O MET A 88 -3.686 -2.087 -5.628 1.00 0.00 O ATOM 1234 CB MET A 88 -1.183 -1.490 -3.728 1.00 0.00 C ATOM 1235 CG MET A 88 -0.878 -0.508 -2.596 1.00 0.00 C ATOM 1236 SD MET A 88 0.050 -1.329 -1.310 1.00 0.00 S ATOM 1237 CE MET A 88 -1.186 -1.385 -0.024 1.00 0.00 C ATOM 0 H MET A 88 -3.202 0.014 -3.573 1.00 0.00 H new ATOM 0 HA MET A 88 -1.029 -0.276 -5.509 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.863 -2.263 -3.370 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.265 -1.991 -4.037 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.311 0.339 -2.981 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.807 -0.110 -2.188 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.698 -1.369 0.951 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.844 -0.521 -0.114 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.772 -2.299 -0.122 1.00 0.00 H new ATOM 1247 N MET A 89 -1.759 -2.293 -6.793 1.00 0.00 N ATOM 1248 CA MET A 89 -2.296 -3.272 -7.723 1.00 0.00 C ATOM 1249 C MET A 89 -1.354 -4.469 -7.864 1.00 0.00 C ATOM 1250 O MET A 89 -0.233 -4.328 -8.351 1.00 0.00 O ATOM 1251 CB MET A 89 -2.500 -2.618 -9.092 1.00 0.00 C ATOM 1252 CG MET A 89 -3.301 -1.320 -8.965 1.00 0.00 C ATOM 1253 SD MET A 89 -4.893 -1.508 -9.749 1.00 0.00 S ATOM 1254 CE MET A 89 -5.777 -2.364 -8.456 1.00 0.00 C ATOM 0 H MET A 89 -0.783 -2.043 -6.953 1.00 0.00 H new ATOM 0 HA MET A 89 -3.250 -3.629 -7.335 1.00 0.00 H new ATOM 0 HB2 MET A 89 -1.532 -2.409 -9.547 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.022 -3.308 -9.755 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.432 -1.065 -7.913 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.754 -0.498 -9.427 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.103 -3.338 -8.821 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.122 -2.500 -7.596 1.00 0.00 H new ATOM 0 HE3 MET A 89 -6.647 -1.778 -8.160 1.00 0.00 H new ATOM 1264 N VAL A 90 -1.844 -5.621 -7.430 1.00 0.00 N ATOM 1265 CA VAL A 90 -1.060 -6.842 -7.502 1.00 0.00 C ATOM 1266 C VAL A 90 -1.551 -7.690 -8.677 1.00 0.00 C ATOM 1267 O VAL A 90 -2.683 -7.532 -9.131 1.00 0.00 O ATOM 1268 CB VAL A 90 -1.120 -7.582 -6.164 1.00 0.00 C ATOM 1269 CG1 VAL A 90 -0.501 -6.743 -5.045 1.00 0.00 C ATOM 1270 CG2 VAL A 90 -2.558 -7.979 -5.822 1.00 0.00 C ATOM 0 H VAL A 90 -2.774 -5.734 -7.027 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.010 -6.612 -7.684 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.534 -8.496 -6.259 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.557 -7.292 -4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.542 -6.534 -5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.047 -5.804 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.573 -8.503 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.176 -7.084 -5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.950 -8.633 -6.601 1.00 0.00 H new ATOM 1280 N ARG A 91 -0.675 -8.572 -9.136 1.00 0.00 N ATOM 1281 CA ARG A 91 -1.005 -9.445 -10.250 1.00 0.00 C ATOM 1282 C ARG A 91 -1.052 -10.902 -9.786 1.00 0.00 C ATOM 1283 O ARG A 91 -0.013 -11.541 -9.629 1.00 0.00 O ATOM 1284 CB ARG A 91 0.019 -9.309 -11.379 1.00 0.00 C ATOM 1285 CG ARG A 91 -0.379 -8.194 -12.348 1.00 0.00 C ATOM 1286 CD ARG A 91 0.399 -8.306 -13.661 1.00 0.00 C ATOM 1287 NE ARG A 91 -0.541 -8.389 -14.801 1.00 0.00 N ATOM 1288 CZ ARG A 91 -1.322 -7.379 -15.206 1.00 0.00 C ATOM 1289 NH1 ARG A 91 -1.281 -6.202 -14.566 1.00 0.00 N ATOM 1290 NH2 ARG A 91 -2.145 -7.545 -16.250 1.00 0.00 N ATOM 0 H ARG A 91 0.263 -8.701 -8.757 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.984 -9.148 -10.626 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.002 -9.097 -10.959 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.099 -10.253 -11.918 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.449 -8.247 -12.549 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.188 -7.224 -11.890 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.053 -7.442 -13.780 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.038 -9.189 -13.641 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.598 -9.271 -15.310 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.655 -6.076 -13.771 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.876 -5.433 -14.874 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.177 -8.441 -16.737 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.740 -6.776 -16.558 1.00 0.00 H new ATOM 1304 N ARG A 92 -2.269 -11.385 -9.580 1.00 0.00 N ATOM 1305 CA ARG A 92 -2.465 -12.755 -9.137 1.00 0.00 C ATOM 1306 C ARG A 92 -2.904 -13.634 -10.310 1.00 0.00 C ATOM 1307 O ARG A 92 -3.707 -13.212 -11.140 1.00 0.00 O ATOM 1308 CB ARG A 92 -3.519 -12.830 -8.030 1.00 0.00 C ATOM 1309 CG ARG A 92 -3.380 -14.126 -7.229 1.00 0.00 C ATOM 1310 CD ARG A 92 -4.753 -14.712 -6.893 1.00 0.00 C ATOM 1311 NE ARG A 92 -5.176 -14.271 -5.545 1.00 0.00 N ATOM 1312 CZ ARG A 92 -4.707 -14.791 -4.402 1.00 0.00 C ATOM 1313 NH1 ARG A 92 -3.797 -15.774 -4.438 1.00 0.00 N ATOM 1314 NH2 ARG A 92 -5.147 -14.328 -3.225 1.00 0.00 N ATOM 0 H ARG A 92 -3.129 -10.852 -9.712 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.515 -13.116 -8.744 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.414 -11.973 -7.364 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.516 -12.773 -8.467 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.801 -14.851 -7.801 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.828 -13.932 -6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.485 -14.393 -7.635 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.712 -15.801 -6.932 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.868 -13.524 -5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.462 -16.126 -5.335 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.440 -16.170 -3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.839 -13.579 -3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.790 -14.724 -2.355 1.00 0.00 H new ATOM 1328 N MET A 93 -2.356 -14.840 -10.340 1.00 0.00 N ATOM 1329 CA MET A 93 -2.681 -15.782 -11.398 1.00 0.00 C ATOM 1330 C MET A 93 -3.938 -16.583 -11.052 1.00 0.00 C ATOM 1331 O MET A 93 -4.448 -16.493 -9.936 1.00 0.00 O ATOM 1332 CB MET A 93 -1.506 -16.741 -11.606 1.00 0.00 C ATOM 1333 CG MET A 93 -1.323 -17.655 -10.393 1.00 0.00 C ATOM 1334 SD MET A 93 0.404 -18.053 -10.185 1.00 0.00 S ATOM 1335 CE MET A 93 1.018 -16.477 -9.613 1.00 0.00 C ATOM 0 H MET A 93 -1.690 -15.186 -9.650 1.00 0.00 H new ATOM 0 HA MET A 93 -2.871 -15.221 -12.313 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.678 -17.344 -12.498 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.593 -16.171 -11.778 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.702 -17.164 -9.497 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.902 -18.569 -10.525 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.884 -16.635 -8.970 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.308 -15.867 -10.469 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.237 -15.965 -9.051 1.00 0.00 H new ATOM 1345 N GLY A 94 -4.401 -17.349 -12.029 1.00 0.00 N ATOM 1346 CA GLY A 94 -5.589 -18.165 -11.842 1.00 0.00 C ATOM 1347 C GLY A 94 -5.475 -19.016 -10.576 1.00 0.00 C ATOM 1348 O GLY A 94 -5.872 -18.583 -9.495 1.00 0.00 O ATOM 0 H GLY A 94 -3.975 -17.422 -12.953 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.468 -17.524 -11.776 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.730 -18.812 -12.708 1.00 0.00 H new ATOM 1352 N SER A 95 -4.932 -20.211 -10.752 1.00 0.00 N ATOM 1353 CA SER A 95 -4.761 -21.127 -9.637 1.00 0.00 C ATOM 1354 C SER A 95 -3.360 -21.741 -9.674 1.00 0.00 C ATOM 1355 O SER A 95 -2.648 -21.612 -10.668 1.00 0.00 O ATOM 1356 CB SER A 95 -5.824 -22.228 -9.661 1.00 0.00 C ATOM 1357 OG SER A 95 -6.649 -22.198 -8.499 1.00 0.00 O ATOM 0 H SER A 95 -4.604 -20.567 -11.650 1.00 0.00 H new ATOM 0 HA SER A 95 -4.880 -20.565 -8.711 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.445 -22.113 -10.550 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.337 -23.200 -9.735 1.00 0.00 H new ATOM 0 HG SER A 95 -7.316 -22.914 -8.552 1.00 0.00 H new ATOM 1363 N GLY A 96 -3.007 -22.396 -8.578 1.00 0.00 N ATOM 1364 CA GLY A 96 -1.704 -23.030 -8.472 1.00 0.00 C ATOM 1365 C GLY A 96 -1.488 -23.610 -7.073 1.00 0.00 C ATOM 1366 O GLY A 96 -0.772 -23.028 -6.260 1.00 0.00 O ATOM 0 H GLY A 96 -3.601 -22.501 -7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.620 -23.823 -9.215 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.923 -22.303 -8.692 1.00 0.00 H new ATOM 1370 N PRO A 97 -2.137 -24.780 -6.829 1.00 0.00 N ATOM 1371 CA PRO A 97 -2.023 -25.445 -5.542 1.00 0.00 C ATOM 1372 C PRO A 97 -0.663 -26.130 -5.397 1.00 0.00 C ATOM 1373 O PRO A 97 0.058 -25.888 -4.431 1.00 0.00 O ATOM 1374 CB PRO A 97 -3.188 -26.421 -5.499 1.00 0.00 C ATOM 1375 CG PRO A 97 -3.634 -26.601 -6.941 1.00 0.00 C ATOM 1376 CD PRO A 97 -2.994 -25.498 -7.768 1.00 0.00 C ATOM 0 HA PRO A 97 -2.072 -24.750 -4.704 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.885 -27.372 -5.062 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.000 -26.033 -4.884 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.334 -27.580 -7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.720 -26.551 -7.014 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.417 -25.909 -8.596 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.747 -24.839 -8.200 1.00 0.00 H new ATOM 1384 N SER A 98 -0.353 -26.971 -6.372 1.00 0.00 N ATOM 1385 CA SER A 98 0.907 -27.693 -6.366 1.00 0.00 C ATOM 1386 C SER A 98 0.855 -28.829 -5.343 1.00 0.00 C ATOM 1387 O SER A 98 0.992 -29.998 -5.700 1.00 0.00 O ATOM 1388 CB SER A 98 2.077 -26.756 -6.058 1.00 0.00 C ATOM 1389 OG SER A 98 3.245 -27.100 -6.798 1.00 0.00 O ATOM 0 H SER A 98 -0.954 -27.169 -7.172 1.00 0.00 H new ATOM 0 HA SER A 98 1.064 -28.114 -7.359 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.790 -25.730 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.300 -26.792 -4.992 1.00 0.00 H new ATOM 0 HG SER A 98 3.969 -26.478 -6.575 1.00 0.00 H new ATOM 1395 N SER A 99 0.656 -28.446 -4.090 1.00 0.00 N ATOM 1396 CA SER A 99 0.583 -29.418 -3.012 1.00 0.00 C ATOM 1397 C SER A 99 1.748 -30.404 -3.118 1.00 0.00 C ATOM 1398 O SER A 99 1.601 -31.486 -3.684 1.00 0.00 O ATOM 1399 CB SER A 99 -0.751 -30.168 -3.036 1.00 0.00 C ATOM 1400 OG SER A 99 -0.884 -30.983 -4.197 1.00 0.00 O ATOM 0 H SER A 99 0.543 -27.475 -3.797 1.00 0.00 H new ATOM 0 HA SER A 99 0.652 -28.884 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.833 -30.790 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.571 -29.451 -3.001 1.00 0.00 H new ATOM 0 HG SER A 99 0.000 -31.140 -4.590 1.00 0.00 H new ATOM 1406 N GLY A 100 2.880 -29.995 -2.564 1.00 0.00 N ATOM 1407 CA GLY A 100 4.070 -30.828 -2.588 1.00 0.00 C ATOM 1408 C GLY A 100 4.216 -31.613 -1.283 1.00 0.00 C ATOM 1409 O GLY A 100 3.268 -31.717 -0.507 1.00 0.00 O ATOM 0 H GLY A 100 2.998 -29.097 -2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.017 -31.520 -3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 100 4.951 -30.205 -2.743 1.00 0.00 H new TER 1413 GLY A 100