USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 957 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 94 TYR OH : rot -50:sc= 0.6 USER MOD Set 1.2: A 101 TYR OH : rot 23:sc= 0.759 USER MOD Set 2.1: A 35 ASN : amide:sc= -0.0317 K(o=-1,f=-3.1) USER MOD Set 2.2: A 37 ASN : amide:sc= -1 K(o=-1,f=-3.3!) USER MOD Single : A 1 MET CE :methyl -148:sc= -0.567 (180deg=-2.38!) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.0635 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -100:sc= -4.7! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 150:sc= -2.46! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 147:sc= -3.49! (180deg=-6.2!) USER MOD Single : A 47 THR OG1 : rot -152:sc= -3.85! USER MOD Single : A 53 SER OG : rot 26:sc= 0.0543 USER MOD Single : A 57 MET CE :methyl 176:sc= -0.498 (180deg=-0.601) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= 1.33 (180deg=0.342) USER MOD Single : A 68 GLN : amide:sc= -12.2! C(o=-12!,f=-17!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -15.1! C(o=-15!,f=-23!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 155:sc= -0.282 (180deg=-1.44) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0734 USER MOD Single : A 84 HIS : no HD1:sc= -0.0884 X(o=-0.088,f=0) USER MOD Single : A 85 SER OG : rot -62:sc= 0.118 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -117:sc= 0.386 USER MOD Single : A 121 HIS :FLIP no HE2:sc= -0.524 F(o=-2.4,f=-0.52) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.218 -14.140 -9.213 1.00 0.00 N ATOM 2 CA MET A 1 -16.403 -14.211 -10.458 1.00 0.00 C ATOM 3 C MET A 1 -15.194 -13.283 -10.324 1.00 0.00 C ATOM 4 O MET A 1 -15.203 -12.347 -9.549 1.00 0.00 O ATOM 5 CB MET A 1 -17.255 -13.772 -11.651 1.00 0.00 C ATOM 6 CG MET A 1 -16.663 -14.347 -12.939 1.00 0.00 C ATOM 7 SD MET A 1 -17.945 -14.407 -14.214 1.00 0.00 S ATOM 8 CE MET A 1 -19.039 -15.582 -13.379 1.00 0.00 C ATOM 0 H1 MET A 1 -17.244 -15.076 -8.761 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.794 -13.452 -8.559 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.186 -13.842 -9.448 1.00 0.00 H new ATOM 0 HA MET A 1 -16.062 -15.234 -10.614 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.282 -14.116 -11.525 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.288 -12.684 -11.707 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.829 -13.732 -13.275 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.269 -15.347 -12.757 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.555 -16.190 -14.122 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.450 -16.228 -12.728 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.771 -15.037 -12.783 1.00 0.00 H new ATOM 20 N GLN A 2 -14.154 -13.536 -11.071 1.00 0.00 N ATOM 21 CA GLN A 2 -12.944 -12.670 -10.982 1.00 0.00 C ATOM 22 C GLN A 2 -11.828 -13.268 -11.842 1.00 0.00 C ATOM 23 O GLN A 2 -11.881 -14.417 -12.231 1.00 0.00 O ATOM 24 CB GLN A 2 -12.474 -12.598 -9.527 1.00 0.00 C ATOM 25 CG GLN A 2 -12.267 -14.015 -8.990 1.00 0.00 C ATOM 26 CD GLN A 2 -12.771 -14.095 -7.548 1.00 0.00 C ATOM 27 OE1 GLN A 2 -13.942 -13.900 -7.292 1.00 0.00 O ATOM 28 NE2 GLN A 2 -11.932 -14.381 -6.590 1.00 0.00 N ATOM 0 H GLN A 2 -14.090 -14.304 -11.739 1.00 0.00 H new ATOM 0 HA GLN A 2 -13.187 -11.669 -11.338 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.544 -12.033 -9.461 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.211 -12.071 -8.921 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.801 -14.733 -9.613 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.211 -14.280 -9.032 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.949 -14.545 -6.805 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.260 -14.441 -5.626 1.00 0.00 H new ATOM 37 N ARG A 3 -10.814 -12.501 -12.136 1.00 0.00 N ATOM 38 CA ARG A 3 -9.698 -13.036 -12.964 1.00 0.00 C ATOM 39 C ARG A 3 -8.429 -12.237 -12.690 1.00 0.00 C ATOM 40 O ARG A 3 -7.762 -11.772 -13.592 1.00 0.00 O ATOM 41 CB ARG A 3 -10.063 -12.938 -14.447 1.00 0.00 C ATOM 42 CG ARG A 3 -9.190 -13.900 -15.256 1.00 0.00 C ATOM 43 CD ARG A 3 -10.027 -14.533 -16.370 1.00 0.00 C ATOM 44 NE ARG A 3 -10.858 -13.481 -17.024 1.00 0.00 N ATOM 45 CZ ARG A 3 -11.963 -13.808 -17.635 1.00 0.00 C ATOM 46 NH1 ARG A 3 -12.041 -14.940 -18.282 1.00 0.00 N ATOM 47 NH2 ARG A 3 -12.989 -13.002 -17.604 1.00 0.00 N ATOM 0 H ARG A 3 -10.711 -11.531 -11.840 1.00 0.00 H new ATOM 0 HA ARG A 3 -9.526 -14.081 -12.707 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.116 -13.180 -14.589 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.920 -11.917 -14.800 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.341 -13.366 -15.683 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.785 -14.675 -14.605 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.376 -15.007 -17.105 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.667 -15.315 -15.960 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.562 -12.505 -16.993 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -11.238 -15.568 -18.309 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -12.905 -15.196 -18.760 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.927 -12.116 -17.102 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.853 -13.258 -18.082 1.00 0.00 H new ATOM 61 N GLY A 4 -8.089 -12.088 -11.446 1.00 0.00 N ATOM 62 CA GLY A 4 -6.857 -11.328 -11.090 1.00 0.00 C ATOM 63 C GLY A 4 -7.041 -10.651 -9.733 1.00 0.00 C ATOM 64 O GLY A 4 -8.092 -10.726 -9.127 1.00 0.00 O ATOM 0 H GLY A 4 -8.612 -12.460 -10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.000 -12.001 -11.058 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.646 -10.580 -11.854 1.00 0.00 H new ATOM 68 N ILE A 5 -6.026 -9.985 -9.252 1.00 0.00 N ATOM 69 CA ILE A 5 -6.135 -9.293 -7.936 1.00 0.00 C ATOM 70 C ILE A 5 -5.160 -8.110 -7.917 1.00 0.00 C ATOM 71 O ILE A 5 -4.007 -8.238 -7.535 1.00 0.00 O ATOM 72 CB ILE A 5 -5.793 -10.266 -6.803 1.00 0.00 C ATOM 73 CG1 ILE A 5 -6.108 -11.704 -7.238 1.00 0.00 C ATOM 74 CG2 ILE A 5 -6.628 -9.913 -5.572 1.00 0.00 C ATOM 75 CD1 ILE A 5 -5.927 -12.658 -6.055 1.00 0.00 C ATOM 0 H ILE A 5 -5.123 -9.890 -9.716 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.154 -8.935 -7.793 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.732 -10.189 -6.566 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.130 -11.764 -7.612 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.451 -11.998 -8.057 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.390 -10.602 -4.761 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.403 -8.893 -5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.687 -9.992 -5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.152 -13.677 -6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.897 -12.607 -5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.602 -12.371 -5.249 1.00 0.00 H new ATOM 87 N VAL A 6 -5.618 -6.960 -8.340 1.00 0.00 N ATOM 88 CA VAL A 6 -4.732 -5.759 -8.374 1.00 0.00 C ATOM 89 C VAL A 6 -4.912 -4.936 -7.091 1.00 0.00 C ATOM 90 O VAL A 6 -5.938 -4.318 -6.880 1.00 0.00 O ATOM 91 CB VAL A 6 -5.102 -4.895 -9.592 1.00 0.00 C ATOM 92 CG1 VAL A 6 -4.648 -3.445 -9.377 1.00 0.00 C ATOM 93 CG2 VAL A 6 -4.411 -5.455 -10.835 1.00 0.00 C ATOM 0 H VAL A 6 -6.572 -6.801 -8.665 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.693 -6.079 -8.447 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.184 -4.914 -9.722 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.917 -2.847 -10.247 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.137 -3.038 -8.492 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.567 -3.419 -9.239 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.670 -4.846 -11.701 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.331 -5.438 -10.690 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.738 -6.481 -11.002 1.00 0.00 H new ATOM 103 N TRP A 7 -3.923 -4.910 -6.240 1.00 0.00 N ATOM 104 CA TRP A 7 -4.045 -4.110 -4.991 1.00 0.00 C ATOM 105 C TRP A 7 -3.310 -2.783 -5.174 1.00 0.00 C ATOM 106 O TRP A 7 -2.179 -2.615 -4.762 1.00 0.00 O ATOM 107 CB TRP A 7 -3.458 -4.892 -3.819 1.00 0.00 C ATOM 108 CG TRP A 7 -4.444 -5.940 -3.426 1.00 0.00 C ATOM 109 CD1 TRP A 7 -5.222 -6.623 -4.294 1.00 0.00 C ATOM 110 CD2 TRP A 7 -4.790 -6.424 -2.098 1.00 0.00 C ATOM 111 NE1 TRP A 7 -6.019 -7.500 -3.587 1.00 0.00 N ATOM 112 CE2 TRP A 7 -5.790 -7.416 -2.232 1.00 0.00 C ATOM 113 CE3 TRP A 7 -4.338 -6.108 -0.806 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -6.325 -8.070 -1.129 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -4.877 -6.768 0.313 1.00 0.00 C ATOM 116 CH2 TRP A 7 -5.870 -7.747 0.148 1.00 0.00 C ATOM 0 H TRP A 7 -3.039 -5.406 -6.356 1.00 0.00 H new ATOM 0 HA TRP A 7 -5.095 -3.909 -4.779 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.509 -5.348 -4.102 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -3.254 -4.226 -2.980 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -5.220 -6.502 -5.367 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -6.695 -8.133 -4.016 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.574 -5.356 -0.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -7.088 -8.823 -1.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -4.525 -6.521 1.304 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -6.281 -8.250 1.011 1.00 0.00 H new ATOM 127 N VAL A 8 -3.954 -1.848 -5.815 1.00 0.00 N ATOM 128 CA VAL A 8 -3.331 -0.519 -6.074 1.00 0.00 C ATOM 129 C VAL A 8 -3.509 0.394 -4.854 1.00 0.00 C ATOM 130 O VAL A 8 -4.210 0.070 -3.922 1.00 0.00 O ATOM 131 CB VAL A 8 -4.043 0.101 -7.280 1.00 0.00 C ATOM 132 CG1 VAL A 8 -3.383 1.426 -7.659 1.00 0.00 C ATOM 133 CG2 VAL A 8 -3.972 -0.865 -8.466 1.00 0.00 C ATOM 0 H VAL A 8 -4.902 -1.950 -6.177 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.265 -0.635 -6.268 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.085 0.287 -7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.898 1.857 -8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.442 2.116 -6.817 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.337 1.252 -7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.479 -0.425 -9.325 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.929 -1.055 -8.718 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.458 -1.804 -8.200 1.00 0.00 H new ATOM 143 N VAL A 9 -2.885 1.542 -4.864 1.00 0.00 N ATOM 144 CA VAL A 9 -3.034 2.487 -3.721 1.00 0.00 C ATOM 145 C VAL A 9 -3.284 3.889 -4.274 1.00 0.00 C ATOM 146 O VAL A 9 -2.702 4.288 -5.265 1.00 0.00 O ATOM 147 CB VAL A 9 -1.764 2.506 -2.871 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.562 2.853 -3.752 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.912 3.565 -1.775 1.00 0.00 C ATOM 0 H VAL A 9 -2.277 1.866 -5.617 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.869 2.165 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.610 1.525 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.343 2.866 -3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.460 2.106 -4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.712 3.835 -4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.010 3.585 -1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.062 4.543 -2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.770 3.322 -1.148 1.00 0.00 H new ATOM 159 N ASP A 10 -4.148 4.639 -3.648 1.00 0.00 N ATOM 160 CA ASP A 10 -4.431 6.011 -4.150 1.00 0.00 C ATOM 161 C ASP A 10 -4.493 6.994 -2.978 1.00 0.00 C ATOM 162 O ASP A 10 -3.886 6.787 -1.946 1.00 0.00 O ATOM 163 CB ASP A 10 -5.772 6.005 -4.880 1.00 0.00 C ATOM 164 CG ASP A 10 -5.710 6.976 -6.060 1.00 0.00 C ATOM 165 OD1 ASP A 10 -5.003 7.964 -5.952 1.00 0.00 O ATOM 166 OD2 ASP A 10 -6.370 6.715 -7.052 1.00 0.00 O ATOM 0 H ASP A 10 -4.668 4.362 -2.815 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.638 6.320 -4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.002 5.000 -5.233 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.572 6.294 -4.198 1.00 0.00 H new ATOM 171 N ASP A 11 -5.223 8.068 -3.133 1.00 0.00 N ATOM 172 CA ASP A 11 -5.326 9.069 -2.034 1.00 0.00 C ATOM 173 C ASP A 11 -6.349 8.587 -0.999 1.00 0.00 C ATOM 174 O ASP A 11 -6.028 7.823 -0.111 1.00 0.00 O ATOM 175 CB ASP A 11 -5.769 10.415 -2.615 1.00 0.00 C ATOM 176 CG ASP A 11 -6.108 11.376 -1.475 1.00 0.00 C ATOM 177 OD1 ASP A 11 -5.244 11.609 -0.647 1.00 0.00 O ATOM 178 OD2 ASP A 11 -7.227 11.862 -1.449 1.00 0.00 O ATOM 0 H ASP A 11 -5.752 8.294 -3.975 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.356 9.186 -1.551 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.976 10.834 -3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.638 10.277 -3.259 1.00 0.00 H new ATOM 183 N ASP A 12 -7.578 9.022 -1.104 1.00 0.00 N ATOM 184 CA ASP A 12 -8.613 8.581 -0.122 1.00 0.00 C ATOM 185 C ASP A 12 -9.883 9.417 -0.292 1.00 0.00 C ATOM 186 O ASP A 12 -9.936 10.334 -1.087 1.00 0.00 O ATOM 187 CB ASP A 12 -8.080 8.757 1.302 1.00 0.00 C ATOM 188 CG ASP A 12 -7.414 10.128 1.434 1.00 0.00 C ATOM 189 OD1 ASP A 12 -6.280 10.259 1.004 1.00 0.00 O ATOM 190 OD2 ASP A 12 -8.050 11.024 1.964 1.00 0.00 O ATOM 0 H ASP A 12 -7.909 9.662 -1.826 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.845 7.531 -0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.895 8.667 2.020 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.363 7.969 1.533 1.00 0.00 H new ATOM 195 N SER A 13 -10.907 9.096 0.454 1.00 0.00 N ATOM 196 CA SER A 13 -12.187 9.858 0.357 1.00 0.00 C ATOM 197 C SER A 13 -12.995 9.368 -0.849 1.00 0.00 C ATOM 198 O SER A 13 -13.162 10.073 -1.824 1.00 0.00 O ATOM 199 CB SER A 13 -11.890 11.351 0.202 1.00 0.00 C ATOM 200 OG SER A 13 -12.785 12.096 1.018 1.00 0.00 O ATOM 0 H SER A 13 -10.912 8.333 1.131 1.00 0.00 H new ATOM 0 HA SER A 13 -12.766 9.697 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.859 11.560 0.488 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.998 11.648 -0.841 1.00 0.00 H new ATOM 0 HG SER A 13 -12.596 13.053 0.922 1.00 0.00 H new ATOM 206 N SER A 14 -13.508 8.168 -0.784 1.00 0.00 N ATOM 207 CA SER A 14 -14.318 7.637 -1.919 1.00 0.00 C ATOM 208 C SER A 14 -13.413 7.316 -3.113 1.00 0.00 C ATOM 209 O SER A 14 -13.712 7.667 -4.236 1.00 0.00 O ATOM 210 CB SER A 14 -15.352 8.684 -2.336 1.00 0.00 C ATOM 211 OG SER A 14 -16.658 8.158 -2.139 1.00 0.00 O ATOM 0 H SER A 14 -13.401 7.532 0.006 1.00 0.00 H new ATOM 0 HA SER A 14 -14.821 6.724 -1.599 1.00 0.00 H new ATOM 0 HB2 SER A 14 -15.222 9.594 -1.750 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.211 8.955 -3.382 1.00 0.00 H new ATOM 0 HG SER A 14 -17.323 8.827 -2.404 1.00 0.00 H new ATOM 217 N ILE A 15 -12.317 6.644 -2.885 1.00 0.00 N ATOM 218 CA ILE A 15 -11.414 6.298 -4.021 1.00 0.00 C ATOM 219 C ILE A 15 -11.443 4.783 -4.235 1.00 0.00 C ATOM 220 O ILE A 15 -11.556 4.309 -5.348 1.00 0.00 O ATOM 221 CB ILE A 15 -9.983 6.758 -3.709 1.00 0.00 C ATOM 222 CG1 ILE A 15 -9.868 8.273 -3.926 1.00 0.00 C ATOM 223 CG2 ILE A 15 -8.997 6.044 -4.641 1.00 0.00 C ATOM 224 CD1 ILE A 15 -11.077 8.981 -3.311 1.00 0.00 C ATOM 0 H ILE A 15 -12.009 6.321 -1.968 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.752 6.801 -4.927 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.750 6.517 -2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.949 8.645 -3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.810 8.493 -4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.982 6.372 -4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.071 4.967 -4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.236 6.285 -5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.988 10.056 -3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.990 8.619 -3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.115 8.773 -2.242 1.00 0.00 H new ATOM 236 N ARG A 16 -11.373 4.020 -3.181 1.00 0.00 N ATOM 237 CA ARG A 16 -11.432 2.542 -3.337 1.00 0.00 C ATOM 238 C ARG A 16 -12.823 2.208 -3.860 1.00 0.00 C ATOM 239 O ARG A 16 -13.017 1.289 -4.631 1.00 0.00 O ATOM 240 CB ARG A 16 -11.218 1.863 -1.980 1.00 0.00 C ATOM 241 CG ARG A 16 -11.642 0.395 -2.073 1.00 0.00 C ATOM 242 CD ARG A 16 -10.952 -0.412 -0.971 1.00 0.00 C ATOM 243 NE ARG A 16 -11.078 0.310 0.325 1.00 0.00 N ATOM 244 CZ ARG A 16 -10.028 0.482 1.079 1.00 0.00 C ATOM 245 NH1 ARG A 16 -9.281 1.540 0.922 1.00 0.00 N ATOM 246 NH2 ARG A 16 -9.723 -0.406 1.985 1.00 0.00 N ATOM 0 H ARG A 16 -11.278 4.355 -2.222 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.658 2.192 -4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.170 1.932 -1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.798 2.372 -1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.724 0.312 -1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.379 -0.008 -3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.402 -1.402 -0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.900 -0.559 -1.217 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.985 0.670 0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.519 2.231 0.210 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.459 1.676 1.511 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.306 -1.235 2.103 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.902 -0.272 2.575 1.00 0.00 H new ATOM 260 N TRP A 17 -13.790 2.982 -3.451 1.00 0.00 N ATOM 261 CA TRP A 17 -15.180 2.762 -3.917 1.00 0.00 C ATOM 262 C TRP A 17 -15.234 3.034 -5.417 1.00 0.00 C ATOM 263 O TRP A 17 -15.484 2.149 -6.205 1.00 0.00 O ATOM 264 CB TRP A 17 -16.116 3.727 -3.183 1.00 0.00 C ATOM 265 CG TRP A 17 -17.345 3.005 -2.736 1.00 0.00 C ATOM 266 CD1 TRP A 17 -17.533 2.478 -1.504 1.00 0.00 C ATOM 267 CD2 TRP A 17 -18.559 2.728 -3.489 1.00 0.00 C ATOM 268 NE1 TRP A 17 -18.786 1.894 -1.454 1.00 0.00 N ATOM 269 CE2 TRP A 17 -19.458 2.023 -2.654 1.00 0.00 C ATOM 270 CE3 TRP A 17 -18.963 3.018 -4.803 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -20.714 1.621 -3.108 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -20.227 2.616 -5.264 1.00 0.00 C ATOM 273 CH2 TRP A 17 -21.101 1.918 -4.418 1.00 0.00 C ATOM 0 H TRP A 17 -13.671 3.764 -2.807 1.00 0.00 H new ATOM 0 HA TRP A 17 -15.492 1.738 -3.714 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -15.605 4.159 -2.323 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -16.388 4.553 -3.840 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -16.821 2.508 -0.692 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -19.167 1.426 -0.632 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -18.297 3.554 -5.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -21.383 1.084 -2.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -20.528 2.846 -6.276 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -22.072 1.610 -4.778 1.00 0.00 H new ATOM 284 N VAL A 18 -15.026 4.262 -5.815 1.00 0.00 N ATOM 285 CA VAL A 18 -15.085 4.603 -7.268 1.00 0.00 C ATOM 286 C VAL A 18 -14.438 3.488 -8.102 1.00 0.00 C ATOM 287 O VAL A 18 -15.081 2.813 -8.889 1.00 0.00 O ATOM 288 CB VAL A 18 -14.305 5.903 -7.489 1.00 0.00 C ATOM 289 CG1 VAL A 18 -14.040 6.103 -8.983 1.00 0.00 C ATOM 290 CG2 VAL A 18 -15.122 7.083 -6.960 1.00 0.00 C ATOM 0 H VAL A 18 -14.817 5.045 -5.196 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.125 4.717 -7.574 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.355 5.844 -6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.485 7.029 -9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.457 5.265 -9.365 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -14.989 6.158 -9.517 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -14.568 8.009 -7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -16.072 7.135 -7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.309 6.948 -5.895 1.00 0.00 H new ATOM 300 N LEU A 19 -13.155 3.316 -7.934 1.00 0.00 N ATOM 301 CA LEU A 19 -12.410 2.280 -8.703 1.00 0.00 C ATOM 302 C LEU A 19 -13.047 0.899 -8.516 1.00 0.00 C ATOM 303 O LEU A 19 -13.708 0.395 -9.400 1.00 0.00 O ATOM 304 CB LEU A 19 -10.957 2.257 -8.212 1.00 0.00 C ATOM 305 CG LEU A 19 -10.285 3.589 -8.554 1.00 0.00 C ATOM 306 CD1 LEU A 19 -8.774 3.465 -8.356 1.00 0.00 C ATOM 307 CD2 LEU A 19 -10.577 3.947 -10.014 1.00 0.00 C ATOM 0 H LEU A 19 -12.583 3.858 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.445 2.525 -9.765 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.928 2.088 -7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.416 1.434 -8.679 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.675 4.370 -7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.296 4.414 -8.600 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.563 3.208 -7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.384 2.684 -9.009 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.099 4.896 -10.259 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.187 3.165 -10.665 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.654 4.036 -10.159 1.00 0.00 H new ATOM 319 N GLU A 20 -12.822 0.275 -7.388 1.00 0.00 N ATOM 320 CA GLU A 20 -13.384 -1.093 -7.139 1.00 0.00 C ATOM 321 C GLU A 20 -14.750 -1.256 -7.818 1.00 0.00 C ATOM 322 O GLU A 20 -15.104 -2.328 -8.264 1.00 0.00 O ATOM 323 CB GLU A 20 -13.543 -1.311 -5.633 1.00 0.00 C ATOM 324 CG GLU A 20 -13.786 -2.797 -5.359 1.00 0.00 C ATOM 325 CD GLU A 20 -15.214 -3.000 -4.843 1.00 0.00 C ATOM 326 OE1 GLU A 20 -15.832 -2.018 -4.463 1.00 0.00 O ATOM 327 OE2 GLU A 20 -15.666 -4.133 -4.838 1.00 0.00 O ATOM 0 H GLU A 20 -12.269 0.656 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.697 -1.829 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.648 -0.975 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.376 -0.719 -5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.633 -3.375 -6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.068 -3.164 -4.625 1.00 0.00 H new ATOM 334 N ARG A 21 -15.518 -0.203 -7.909 1.00 0.00 N ATOM 335 CA ARG A 21 -16.851 -0.313 -8.568 1.00 0.00 C ATOM 336 C ARG A 21 -16.636 -0.647 -10.043 1.00 0.00 C ATOM 337 O ARG A 21 -17.124 -1.641 -10.543 1.00 0.00 O ATOM 338 CB ARG A 21 -17.606 1.015 -8.442 1.00 0.00 C ATOM 339 CG ARG A 21 -18.897 0.948 -9.263 1.00 0.00 C ATOM 340 CD ARG A 21 -19.850 -0.068 -8.631 1.00 0.00 C ATOM 341 NE ARG A 21 -21.211 0.093 -9.216 1.00 0.00 N ATOM 342 CZ ARG A 21 -22.215 -0.574 -8.718 1.00 0.00 C ATOM 343 NH1 ARG A 21 -22.905 -0.075 -7.731 1.00 0.00 N ATOM 344 NH2 ARG A 21 -22.525 -1.746 -9.204 1.00 0.00 N ATOM 0 H ARG A 21 -15.281 0.725 -7.557 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.439 -1.096 -8.089 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -17.838 1.216 -7.396 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.981 1.836 -8.794 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -19.368 1.930 -9.301 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -18.673 0.662 -10.291 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -19.486 -1.081 -8.805 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -19.888 0.076 -7.551 1.00 0.00 H new ATOM 0 HE ARG A 21 -21.357 0.724 -10.004 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -22.660 0.838 -7.348 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -23.690 -0.597 -7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -21.982 -2.139 -9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -23.310 -2.268 -8.815 1.00 0.00 H new ATOM 358 N ALA A 22 -15.890 0.165 -10.739 1.00 0.00 N ATOM 359 CA ALA A 22 -15.625 -0.124 -12.179 1.00 0.00 C ATOM 360 C ALA A 22 -14.658 -1.311 -12.287 1.00 0.00 C ATOM 361 O ALA A 22 -14.328 -1.757 -13.367 1.00 0.00 O ATOM 362 CB ALA A 22 -15.005 1.108 -12.843 1.00 0.00 C ATOM 0 H ALA A 22 -15.454 1.013 -10.377 1.00 0.00 H new ATOM 0 HA ALA A 22 -16.560 -0.370 -12.682 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.812 0.896 -13.895 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.693 1.950 -12.763 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.068 1.357 -12.345 1.00 0.00 H new ATOM 368 N LEU A 23 -14.203 -1.825 -11.173 1.00 0.00 N ATOM 369 CA LEU A 23 -13.260 -2.980 -11.206 1.00 0.00 C ATOM 370 C LEU A 23 -14.032 -4.274 -10.926 1.00 0.00 C ATOM 371 O LEU A 23 -13.571 -5.368 -11.212 1.00 0.00 O ATOM 372 CB LEU A 23 -12.182 -2.762 -10.143 1.00 0.00 C ATOM 373 CG LEU A 23 -11.172 -1.741 -10.672 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.561 -0.962 -9.509 1.00 0.00 C ATOM 375 CD2 LEU A 23 -10.066 -2.462 -11.444 1.00 0.00 C ATOM 0 H LEU A 23 -14.446 -1.492 -10.240 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.790 -3.059 -12.186 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.631 -2.404 -9.217 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.683 -3.703 -9.912 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.684 -1.046 -11.338 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.843 -0.237 -9.894 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.349 -0.439 -8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.054 -1.652 -8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.349 -1.732 -11.819 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.558 -3.163 -10.782 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.502 -3.006 -12.282 1.00 0.00 H new ATOM 387 N ALA A 24 -15.213 -4.154 -10.380 1.00 0.00 N ATOM 388 CA ALA A 24 -16.030 -5.364 -10.096 1.00 0.00 C ATOM 389 C ALA A 24 -16.686 -5.823 -11.398 1.00 0.00 C ATOM 390 O ALA A 24 -16.783 -7.001 -11.677 1.00 0.00 O ATOM 391 CB ALA A 24 -17.109 -5.023 -9.067 1.00 0.00 C ATOM 0 H ALA A 24 -15.646 -3.268 -10.119 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.399 -6.158 -9.697 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.707 -5.910 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.638 -4.679 -8.146 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.752 -4.236 -9.461 1.00 0.00 H new ATOM 397 N GLY A 25 -17.123 -4.894 -12.207 1.00 0.00 N ATOM 398 CA GLY A 25 -17.756 -5.269 -13.501 1.00 0.00 C ATOM 399 C GLY A 25 -16.690 -5.886 -14.405 1.00 0.00 C ATOM 400 O GLY A 25 -16.928 -6.860 -15.092 1.00 0.00 O ATOM 0 H GLY A 25 -17.068 -3.892 -12.026 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.567 -5.978 -13.334 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.193 -4.391 -13.977 1.00 0.00 H new ATOM 404 N ALA A 26 -15.507 -5.332 -14.398 1.00 0.00 N ATOM 405 CA ALA A 26 -14.417 -5.893 -15.240 1.00 0.00 C ATOM 406 C ALA A 26 -14.237 -7.367 -14.880 1.00 0.00 C ATOM 407 O ALA A 26 -13.970 -8.198 -15.726 1.00 0.00 O ATOM 408 CB ALA A 26 -13.119 -5.128 -14.969 1.00 0.00 C ATOM 0 H ALA A 26 -15.251 -4.515 -13.844 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.668 -5.798 -16.296 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.319 -5.538 -15.586 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.260 -4.075 -15.211 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.852 -5.226 -13.917 1.00 0.00 H new ATOM 414 N GLY A 27 -14.401 -7.702 -13.627 1.00 0.00 N ATOM 415 CA GLY A 27 -14.263 -9.125 -13.210 1.00 0.00 C ATOM 416 C GLY A 27 -12.900 -9.366 -12.552 1.00 0.00 C ATOM 417 O GLY A 27 -12.257 -10.366 -12.805 1.00 0.00 O ATOM 0 H GLY A 27 -14.625 -7.050 -12.875 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.060 -9.384 -12.513 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.374 -9.776 -14.077 1.00 0.00 H new ATOM 421 N LEU A 28 -12.453 -8.478 -11.704 1.00 0.00 N ATOM 422 CA LEU A 28 -11.132 -8.701 -11.042 1.00 0.00 C ATOM 423 C LEU A 28 -11.189 -8.235 -9.589 1.00 0.00 C ATOM 424 O LEU A 28 -12.079 -7.513 -9.186 1.00 0.00 O ATOM 425 CB LEU A 28 -10.042 -7.908 -11.761 1.00 0.00 C ATOM 426 CG LEU A 28 -9.914 -8.391 -13.204 1.00 0.00 C ATOM 427 CD1 LEU A 28 -10.194 -7.228 -14.157 1.00 0.00 C ATOM 428 CD2 LEU A 28 -8.493 -8.911 -13.434 1.00 0.00 C ATOM 0 H LEU A 28 -12.937 -7.619 -11.443 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.905 -9.766 -11.083 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.282 -6.845 -11.744 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.091 -8.028 -11.242 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.631 -9.190 -13.390 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.103 -7.572 -15.187 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.204 -6.854 -13.987 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.475 -6.429 -13.976 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.394 -9.258 -14.463 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.778 -8.109 -13.251 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.293 -9.737 -12.752 1.00 0.00 H new ATOM 440 N THR A 29 -10.219 -8.625 -8.809 1.00 0.00 N ATOM 441 CA THR A 29 -10.176 -8.193 -7.386 1.00 0.00 C ATOM 442 C THR A 29 -9.220 -7.006 -7.287 1.00 0.00 C ATOM 443 O THR A 29 -8.093 -7.132 -6.846 1.00 0.00 O ATOM 444 CB THR A 29 -9.667 -9.343 -6.509 1.00 0.00 C ATOM 445 OG1 THR A 29 -10.555 -10.448 -6.618 1.00 0.00 O ATOM 446 CG2 THR A 29 -9.589 -8.890 -5.045 1.00 0.00 C ATOM 0 H THR A 29 -9.450 -9.228 -9.100 1.00 0.00 H new ATOM 0 HA THR A 29 -11.172 -7.911 -7.043 1.00 0.00 H new ATOM 0 HB THR A 29 -8.673 -9.637 -6.844 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.230 -11.185 -6.059 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.227 -9.713 -4.428 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.905 -8.045 -4.961 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.580 -8.590 -4.704 1.00 0.00 H new ATOM 454 N CYS A 30 -9.654 -5.858 -7.723 1.00 0.00 N ATOM 455 CA CYS A 30 -8.776 -4.665 -7.682 1.00 0.00 C ATOM 456 C CYS A 30 -8.977 -3.927 -6.361 1.00 0.00 C ATOM 457 O CYS A 30 -9.768 -3.011 -6.261 1.00 0.00 O ATOM 458 CB CYS A 30 -9.149 -3.754 -8.839 1.00 0.00 C ATOM 459 SG CYS A 30 -7.872 -2.489 -9.052 1.00 0.00 S ATOM 0 H CYS A 30 -10.585 -5.697 -8.108 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.731 -4.965 -7.764 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.254 -4.336 -9.754 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -10.113 -3.283 -8.648 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.267 -1.377 -8.506 1.00 0.00 H new ATOM 465 N THR A 31 -8.264 -4.320 -5.347 1.00 0.00 N ATOM 466 CA THR A 31 -8.406 -3.646 -4.031 1.00 0.00 C ATOM 467 C THR A 31 -7.543 -2.376 -4.023 1.00 0.00 C ATOM 468 O THR A 31 -6.442 -2.363 -4.535 1.00 0.00 O ATOM 469 CB THR A 31 -7.960 -4.627 -2.929 1.00 0.00 C ATOM 470 OG1 THR A 31 -9.108 -5.256 -2.376 1.00 0.00 O ATOM 471 CG2 THR A 31 -7.201 -3.900 -1.815 1.00 0.00 C ATOM 0 H THR A 31 -7.586 -5.082 -5.373 1.00 0.00 H new ATOM 0 HA THR A 31 -9.442 -3.358 -3.850 1.00 0.00 H new ATOM 0 HB THR A 31 -7.294 -5.367 -3.373 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.832 -5.883 -1.675 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.899 -4.618 -1.052 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.316 -3.419 -2.232 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.847 -3.145 -1.367 1.00 0.00 H new ATOM 479 N THR A 32 -8.031 -1.308 -3.450 1.00 0.00 N ATOM 480 CA THR A 32 -7.221 -0.056 -3.421 1.00 0.00 C ATOM 481 C THR A 32 -7.218 0.535 -2.009 1.00 0.00 C ATOM 482 O THR A 32 -8.255 0.782 -1.426 1.00 0.00 O ATOM 483 CB THR A 32 -7.796 0.973 -4.394 1.00 0.00 C ATOM 484 OG1 THR A 32 -8.660 1.849 -3.689 1.00 0.00 O ATOM 485 CG2 THR A 32 -8.574 0.267 -5.505 1.00 0.00 C ATOM 0 H THR A 32 -8.947 -1.248 -3.005 1.00 0.00 H new ATOM 0 HA THR A 32 -6.201 -0.301 -3.717 1.00 0.00 H new ATOM 0 HB THR A 32 -6.981 1.541 -4.841 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.651 2.731 -4.116 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.980 1.009 -6.193 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.907 -0.404 -6.047 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.391 -0.308 -5.068 1.00 0.00 H new ATOM 493 N PHE A 33 -6.056 0.769 -1.461 1.00 0.00 N ATOM 494 CA PHE A 33 -5.977 1.352 -0.090 1.00 0.00 C ATOM 495 C PHE A 33 -5.994 2.880 -0.193 1.00 0.00 C ATOM 496 O PHE A 33 -6.099 3.438 -1.268 1.00 0.00 O ATOM 497 CB PHE A 33 -4.672 0.912 0.575 1.00 0.00 C ATOM 498 CG PHE A 33 -4.751 -0.551 0.941 1.00 0.00 C ATOM 499 CD1 PHE A 33 -5.525 -0.962 2.032 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.041 -1.495 0.189 1.00 0.00 C ATOM 501 CE1 PHE A 33 -5.592 -2.319 2.371 1.00 0.00 C ATOM 502 CE2 PHE A 33 -4.107 -2.852 0.528 1.00 0.00 C ATOM 503 CZ PHE A 33 -4.883 -3.263 1.620 1.00 0.00 C ATOM 0 H PHE A 33 -5.157 0.581 -1.904 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.825 1.009 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.834 1.082 -0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.489 1.510 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.071 -0.233 2.612 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.443 -1.177 -0.652 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.191 -2.637 3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.560 -3.581 -0.052 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.934 -4.309 1.882 1.00 0.00 H new ATOM 513 N GLU A 34 -5.884 3.561 0.916 1.00 0.00 N ATOM 514 CA GLU A 34 -5.888 5.052 0.874 1.00 0.00 C ATOM 515 C GLU A 34 -4.485 5.579 1.189 1.00 0.00 C ATOM 516 O GLU A 34 -4.262 6.771 1.253 1.00 0.00 O ATOM 517 CB GLU A 34 -6.880 5.611 1.906 1.00 0.00 C ATOM 518 CG GLU A 34 -7.228 4.542 2.947 1.00 0.00 C ATOM 519 CD GLU A 34 -6.003 4.257 3.818 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.016 4.957 3.665 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.073 3.343 4.624 1.00 0.00 O ATOM 0 H GLU A 34 -5.792 3.152 1.846 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.189 5.373 -0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.449 6.482 2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.787 5.947 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.057 4.881 3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.554 3.628 2.450 1.00 0.00 H new ATOM 528 N ASN A 35 -3.534 4.703 1.389 1.00 0.00 N ATOM 529 CA ASN A 35 -2.151 5.169 1.702 1.00 0.00 C ATOM 530 C ASN A 35 -1.129 4.228 1.059 1.00 0.00 C ATOM 531 O ASN A 35 -1.316 3.027 1.020 1.00 0.00 O ATOM 532 CB ASN A 35 -1.947 5.176 3.219 1.00 0.00 C ATOM 533 CG ASN A 35 -1.247 6.469 3.635 1.00 0.00 C ATOM 534 OD1 ASN A 35 -0.153 6.753 3.189 1.00 0.00 O ATOM 535 ND2 ASN A 35 -1.836 7.273 4.478 1.00 0.00 N ATOM 0 H ASN A 35 -3.655 3.691 1.349 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.014 6.176 1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.908 5.091 3.726 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.351 4.315 3.520 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.378 8.139 4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.754 7.035 4.853 1.00 0.00 H new ATOM 542 N GLY A 36 -0.048 4.762 0.558 1.00 0.00 N ATOM 543 CA GLY A 36 0.986 3.895 -0.076 1.00 0.00 C ATOM 544 C GLY A 36 1.684 3.066 1.001 1.00 0.00 C ATOM 545 O GLY A 36 1.644 1.852 0.984 1.00 0.00 O ATOM 0 H GLY A 36 0.164 5.760 0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.524 3.238 -0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.714 4.508 -0.607 1.00 0.00 H new ATOM 549 N ASN A 37 2.320 3.712 1.940 1.00 0.00 N ATOM 550 CA ASN A 37 3.012 2.950 3.017 1.00 0.00 C ATOM 551 C ASN A 37 2.066 1.856 3.517 1.00 0.00 C ATOM 552 O ASN A 37 2.292 0.683 3.319 1.00 0.00 O ATOM 553 CB ASN A 37 3.367 3.877 4.193 1.00 0.00 C ATOM 554 CG ASN A 37 2.471 5.121 4.195 1.00 0.00 C ATOM 555 OD1 ASN A 37 2.692 6.045 3.437 1.00 0.00 O ATOM 556 ND2 ASN A 37 1.473 5.193 5.033 1.00 0.00 N ATOM 0 H ASN A 37 2.390 4.727 2.008 1.00 0.00 H new ATOM 0 HA ASN A 37 3.931 2.520 2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.252 3.339 5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.413 4.177 4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.881 6.023 5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.285 4.419 5.670 1.00 0.00 H new ATOM 563 N GLU A 38 1.018 2.253 4.185 1.00 0.00 N ATOM 564 CA GLU A 38 0.026 1.275 4.729 1.00 0.00 C ATOM 565 C GLU A 38 -0.147 0.083 3.777 1.00 0.00 C ATOM 566 O GLU A 38 -0.096 -1.058 4.193 1.00 0.00 O ATOM 567 CB GLU A 38 -1.324 1.975 4.894 1.00 0.00 C ATOM 568 CG GLU A 38 -2.205 1.159 5.840 1.00 0.00 C ATOM 569 CD GLU A 38 -2.150 1.767 7.243 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.148 2.983 7.341 1.00 0.00 O ATOM 571 OE2 GLU A 38 -2.107 1.005 8.196 1.00 0.00 O ATOM 0 H GLU A 38 0.801 3.230 4.381 1.00 0.00 H new ATOM 0 HA GLU A 38 0.390 0.908 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.179 2.980 5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.812 2.081 3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.233 1.148 5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.865 0.124 5.868 1.00 0.00 H new ATOM 578 N VAL A 39 -0.358 0.328 2.505 1.00 0.00 N ATOM 579 CA VAL A 39 -0.529 -0.798 1.554 1.00 0.00 C ATOM 580 C VAL A 39 0.550 -1.832 1.843 1.00 0.00 C ATOM 581 O VAL A 39 0.271 -2.992 2.064 1.00 0.00 O ATOM 582 CB VAL A 39 -0.384 -0.276 0.128 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.345 -1.449 -0.837 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.575 0.621 -0.217 1.00 0.00 C ATOM 0 H VAL A 39 -0.418 1.259 2.093 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.514 -1.250 1.666 1.00 0.00 H new ATOM 0 HB VAL A 39 0.539 0.299 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.241 -1.078 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.503 -2.090 -0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.269 -2.022 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.468 0.992 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.498 0.048 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.608 1.463 0.474 1.00 0.00 H new ATOM 594 N LEU A 40 1.781 -1.411 1.867 1.00 0.00 N ATOM 595 CA LEU A 40 2.884 -2.352 2.178 1.00 0.00 C ATOM 596 C LEU A 40 2.653 -2.915 3.578 1.00 0.00 C ATOM 597 O LEU A 40 2.902 -4.073 3.846 1.00 0.00 O ATOM 598 CB LEU A 40 4.206 -1.602 2.132 1.00 0.00 C ATOM 599 CG LEU A 40 4.715 -1.594 0.698 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.051 -0.445 -0.068 1.00 0.00 C ATOM 601 CD2 LEU A 40 6.229 -1.403 0.710 1.00 0.00 C ATOM 0 H LEU A 40 2.070 -0.450 1.683 1.00 0.00 H new ATOM 0 HA LEU A 40 2.912 -3.165 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.074 -0.581 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.934 -2.079 2.788 1.00 0.00 H new ATOM 0 HG LEU A 40 4.472 -2.538 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.413 -0.436 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.970 -0.583 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.297 0.502 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.603 -1.396 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.472 -0.456 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.694 -2.220 1.261 1.00 0.00 H new ATOM 613 N ALA A 41 2.161 -2.101 4.470 1.00 0.00 N ATOM 614 CA ALA A 41 1.884 -2.585 5.848 1.00 0.00 C ATOM 615 C ALA A 41 1.077 -3.880 5.746 1.00 0.00 C ATOM 616 O ALA A 41 1.217 -4.781 6.549 1.00 0.00 O ATOM 617 CB ALA A 41 1.080 -1.522 6.602 1.00 0.00 C ATOM 0 H ALA A 41 1.939 -1.120 4.302 1.00 0.00 H new ATOM 0 HA ALA A 41 2.814 -2.771 6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.874 -1.871 7.614 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.654 -0.596 6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.139 -1.340 6.082 1.00 0.00 H new ATOM 623 N ALA A 42 0.239 -3.980 4.747 1.00 0.00 N ATOM 624 CA ALA A 42 -0.575 -5.216 4.562 1.00 0.00 C ATOM 625 C ALA A 42 0.175 -6.167 3.622 1.00 0.00 C ATOM 626 O ALA A 42 -0.038 -7.363 3.631 1.00 0.00 O ATOM 627 CB ALA A 42 -1.928 -4.851 3.949 1.00 0.00 C ATOM 0 H ALA A 42 0.083 -3.254 4.048 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.738 -5.700 5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.522 -5.755 3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.455 -4.166 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.772 -4.372 2.982 1.00 0.00 H new ATOM 633 N LEU A 43 1.061 -5.639 2.817 1.00 0.00 N ATOM 634 CA LEU A 43 1.839 -6.493 1.876 1.00 0.00 C ATOM 635 C LEU A 43 2.850 -7.329 2.650 1.00 0.00 C ATOM 636 O LEU A 43 3.577 -8.114 2.084 1.00 0.00 O ATOM 637 CB LEU A 43 2.583 -5.599 0.896 1.00 0.00 C ATOM 638 CG LEU A 43 2.549 -6.224 -0.496 1.00 0.00 C ATOM 639 CD1 LEU A 43 3.157 -7.628 -0.444 1.00 0.00 C ATOM 640 CD2 LEU A 43 1.097 -6.312 -0.968 1.00 0.00 C ATOM 0 H LEU A 43 1.279 -4.644 2.773 1.00 0.00 H new ATOM 0 HA LEU A 43 1.158 -7.154 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.126 -4.609 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.615 -5.466 1.221 1.00 0.00 H new ATOM 0 HG LEU A 43 3.125 -5.610 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.132 -8.073 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.190 -7.565 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.583 -8.248 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.064 -6.758 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.526 -6.929 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.665 -5.312 -1.004 1.00 0.00 H new ATOM 652 N ALA A 44 2.905 -7.170 3.937 1.00 0.00 N ATOM 653 CA ALA A 44 3.863 -7.978 4.737 1.00 0.00 C ATOM 654 C ALA A 44 3.516 -9.458 4.543 1.00 0.00 C ATOM 655 O ALA A 44 4.352 -10.329 4.677 1.00 0.00 O ATOM 656 CB ALA A 44 3.745 -7.604 6.215 1.00 0.00 C ATOM 0 H ALA A 44 2.331 -6.518 4.471 1.00 0.00 H new ATOM 0 HA ALA A 44 4.885 -7.786 4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.449 -8.198 6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.972 -6.545 6.342 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.730 -7.801 6.560 1.00 0.00 H new ATOM 662 N SER A 45 2.281 -9.742 4.214 1.00 0.00 N ATOM 663 CA SER A 45 1.862 -11.157 3.991 1.00 0.00 C ATOM 664 C SER A 45 1.829 -11.431 2.484 1.00 0.00 C ATOM 665 O SER A 45 1.103 -12.281 2.006 1.00 0.00 O ATOM 666 CB SER A 45 0.466 -11.377 4.579 1.00 0.00 C ATOM 667 OG SER A 45 0.503 -11.141 5.981 1.00 0.00 O ATOM 0 H SER A 45 1.542 -9.050 4.090 1.00 0.00 H new ATOM 0 HA SER A 45 2.567 -11.832 4.477 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.251 -10.706 4.105 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.131 -12.395 4.379 1.00 0.00 H new ATOM 0 HG SER A 45 -0.390 -11.280 6.360 1.00 0.00 H new ATOM 673 N LYS A 46 2.615 -10.705 1.737 1.00 0.00 N ATOM 674 CA LYS A 46 2.661 -10.880 0.268 1.00 0.00 C ATOM 675 C LYS A 46 1.299 -10.539 -0.347 1.00 0.00 C ATOM 676 O LYS A 46 0.260 -10.914 0.161 1.00 0.00 O ATOM 677 CB LYS A 46 3.048 -12.308 -0.072 1.00 0.00 C ATOM 678 CG LYS A 46 3.343 -12.362 -1.559 1.00 0.00 C ATOM 679 CD LYS A 46 4.847 -12.510 -1.783 1.00 0.00 C ATOM 680 CE LYS A 46 5.603 -11.468 -0.959 1.00 0.00 C ATOM 681 NZ LYS A 46 5.245 -10.099 -1.428 1.00 0.00 N ATOM 0 H LYS A 46 3.239 -9.983 2.097 1.00 0.00 H new ATOM 0 HA LYS A 46 3.410 -10.204 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.922 -12.615 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.241 -12.995 0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.814 -13.200 -2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.981 -11.455 -2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.168 -13.512 -1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.079 -12.388 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.356 -11.577 0.097 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.677 -11.626 -1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.262 -9.441 -0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.931 -9.787 -2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.292 -10.113 -1.844 1.00 0.00 H new ATOM 695 N THR A 47 1.307 -9.819 -1.438 1.00 0.00 N ATOM 696 CA THR A 47 0.031 -9.427 -2.105 1.00 0.00 C ATOM 697 C THR A 47 -0.538 -10.625 -2.878 1.00 0.00 C ATOM 698 O THR A 47 -0.060 -11.733 -2.735 1.00 0.00 O ATOM 699 CB THR A 47 0.320 -8.244 -3.052 1.00 0.00 C ATOM 700 OG1 THR A 47 -0.738 -7.302 -2.967 1.00 0.00 O ATOM 701 CG2 THR A 47 0.476 -8.719 -4.504 1.00 0.00 C ATOM 0 H THR A 47 2.152 -9.483 -1.900 1.00 0.00 H new ATOM 0 HA THR A 47 -0.710 -9.122 -1.366 1.00 0.00 H new ATOM 0 HB THR A 47 1.257 -7.779 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.813 -6.817 -3.815 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.679 -7.863 -5.147 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.303 -9.426 -4.569 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.443 -9.206 -4.828 1.00 0.00 H new ATOM 709 N PRO A 48 -1.539 -10.361 -3.681 1.00 0.00 N ATOM 710 CA PRO A 48 -2.122 -11.472 -4.461 1.00 0.00 C ATOM 711 C PRO A 48 -1.540 -11.485 -5.878 1.00 0.00 C ATOM 712 O PRO A 48 -0.703 -12.304 -6.199 1.00 0.00 O ATOM 713 CB PRO A 48 -3.620 -11.186 -4.490 1.00 0.00 C ATOM 714 CG PRO A 48 -3.773 -9.676 -4.244 1.00 0.00 C ATOM 715 CD PRO A 48 -2.466 -9.204 -3.585 1.00 0.00 C ATOM 0 HA PRO A 48 -1.905 -12.447 -4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.052 -11.470 -5.450 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -4.141 -11.760 -3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.948 -9.147 -5.181 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.628 -9.473 -3.599 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.060 -8.331 -4.097 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.630 -8.917 -2.546 1.00 0.00 H new ATOM 723 N ASP A 49 -1.968 -10.591 -6.736 1.00 0.00 N ATOM 724 CA ASP A 49 -1.414 -10.594 -8.118 1.00 0.00 C ATOM 725 C ASP A 49 -0.364 -9.490 -8.271 1.00 0.00 C ATOM 726 O ASP A 49 0.792 -9.764 -8.523 1.00 0.00 O ATOM 727 CB ASP A 49 -2.540 -10.387 -9.133 1.00 0.00 C ATOM 728 CG ASP A 49 -3.416 -11.640 -9.174 1.00 0.00 C ATOM 729 OD1 ASP A 49 -3.386 -12.390 -8.212 1.00 0.00 O ATOM 730 OD2 ASP A 49 -4.100 -11.830 -10.166 1.00 0.00 O ATOM 0 H ASP A 49 -2.665 -9.872 -6.541 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.940 -11.558 -8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.139 -9.519 -8.858 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.124 -10.187 -10.120 1.00 0.00 H new ATOM 735 N VAL A 50 -0.735 -8.243 -8.138 1.00 0.00 N ATOM 736 CA VAL A 50 0.291 -7.170 -8.309 1.00 0.00 C ATOM 737 C VAL A 50 -0.021 -5.958 -7.430 1.00 0.00 C ATOM 738 O VAL A 50 -1.157 -5.674 -7.112 1.00 0.00 O ATOM 739 CB VAL A 50 0.319 -6.740 -9.787 1.00 0.00 C ATOM 740 CG1 VAL A 50 0.707 -5.263 -9.921 1.00 0.00 C ATOM 741 CG2 VAL A 50 1.349 -7.580 -10.537 1.00 0.00 C ATOM 0 H VAL A 50 -1.680 -7.925 -7.924 1.00 0.00 H new ATOM 0 HA VAL A 50 1.262 -7.564 -8.008 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.677 -6.886 -10.204 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.720 -4.984 -10.975 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.019 -4.647 -9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.697 -5.107 -9.493 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.372 -7.278 -11.584 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.334 -7.429 -10.094 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.078 -8.634 -10.469 1.00 0.00 H new ATOM 751 N LEU A 51 1.002 -5.232 -7.061 1.00 0.00 N ATOM 752 CA LEU A 51 0.800 -4.016 -6.229 1.00 0.00 C ATOM 753 C LEU A 51 0.901 -2.785 -7.134 1.00 0.00 C ATOM 754 O LEU A 51 1.826 -2.658 -7.912 1.00 0.00 O ATOM 755 CB LEU A 51 1.889 -3.940 -5.155 1.00 0.00 C ATOM 756 CG LEU A 51 1.281 -4.236 -3.781 1.00 0.00 C ATOM 757 CD1 LEU A 51 2.309 -3.942 -2.689 1.00 0.00 C ATOM 758 CD2 LEU A 51 0.047 -3.357 -3.560 1.00 0.00 C ATOM 0 H LEU A 51 1.972 -5.433 -7.303 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.177 -4.054 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.681 -4.656 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.345 -2.950 -5.156 1.00 0.00 H new ATOM 0 HG LEU A 51 0.992 -5.286 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.873 -4.154 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.188 -4.570 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.600 -2.893 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.382 -3.571 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.335 -2.307 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.692 -3.566 -4.334 1.00 0.00 H new ATOM 770 N LEU A 52 -0.033 -1.881 -7.052 1.00 0.00 N ATOM 771 CA LEU A 52 0.033 -0.673 -7.923 1.00 0.00 C ATOM 772 C LEU A 52 -0.047 0.591 -7.064 1.00 0.00 C ATOM 773 O LEU A 52 -0.429 0.549 -5.912 1.00 0.00 O ATOM 774 CB LEU A 52 -1.134 -0.693 -8.907 1.00 0.00 C ATOM 775 CG LEU A 52 -0.587 -0.611 -10.329 1.00 0.00 C ATOM 776 CD1 LEU A 52 -1.295 -1.641 -11.211 1.00 0.00 C ATOM 777 CD2 LEU A 52 -0.826 0.794 -10.885 1.00 0.00 C ATOM 0 H LEU A 52 -0.836 -1.924 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 52 0.975 -0.676 -8.471 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.718 -1.605 -8.780 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.804 0.144 -8.713 1.00 0.00 H new ATOM 0 HG LEU A 52 0.483 -0.820 -10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.903 -1.581 -12.226 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.122 -2.641 -10.813 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.365 -1.436 -11.222 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.436 0.854 -11.901 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.895 1.005 -10.894 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.317 1.525 -10.257 1.00 0.00 H new ATOM 789 N SER A 53 0.313 1.717 -7.621 1.00 0.00 N ATOM 790 CA SER A 53 0.263 2.989 -6.844 1.00 0.00 C ATOM 791 C SER A 53 0.284 4.175 -7.814 1.00 0.00 C ATOM 792 O SER A 53 1.073 4.216 -8.737 1.00 0.00 O ATOM 793 CB SER A 53 1.476 3.068 -5.916 1.00 0.00 C ATOM 794 OG SER A 53 2.660 2.845 -6.671 1.00 0.00 O ATOM 0 H SER A 53 0.640 1.810 -8.583 1.00 0.00 H new ATOM 0 HA SER A 53 -0.650 3.019 -6.249 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.517 4.045 -5.434 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.391 2.325 -5.123 1.00 0.00 H new ATOM 0 HG SER A 53 2.507 3.103 -7.604 1.00 0.00 H new ATOM 800 N ASP A 54 -0.578 5.139 -7.618 1.00 0.00 N ATOM 801 CA ASP A 54 -0.601 6.314 -8.539 1.00 0.00 C ATOM 802 C ASP A 54 -0.350 7.602 -7.748 1.00 0.00 C ATOM 803 O ASP A 54 -0.112 7.573 -6.557 1.00 0.00 O ATOM 804 CB ASP A 54 -1.964 6.396 -9.229 1.00 0.00 C ATOM 805 CG ASP A 54 -2.513 4.985 -9.445 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.756 4.137 -9.889 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.682 4.776 -9.162 1.00 0.00 O ATOM 0 H ASP A 54 -1.264 5.164 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 54 0.181 6.196 -9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.657 6.978 -8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.869 6.911 -10.185 1.00 0.00 H new ATOM 812 N ILE A 55 -0.398 8.732 -8.401 1.00 0.00 N ATOM 813 CA ILE A 55 -0.157 10.020 -7.688 1.00 0.00 C ATOM 814 C ILE A 55 -1.414 10.896 -7.767 1.00 0.00 C ATOM 815 O ILE A 55 -2.048 10.995 -8.799 1.00 0.00 O ATOM 816 CB ILE A 55 1.035 10.743 -8.332 1.00 0.00 C ATOM 817 CG1 ILE A 55 0.578 11.507 -9.580 1.00 0.00 C ATOM 818 CG2 ILE A 55 2.093 9.715 -8.735 1.00 0.00 C ATOM 819 CD1 ILE A 55 0.134 12.914 -9.179 1.00 0.00 C ATOM 0 H ILE A 55 -0.594 8.819 -9.398 1.00 0.00 H new ATOM 0 HA ILE A 55 0.069 9.823 -6.640 1.00 0.00 H new ATOM 0 HB ILE A 55 1.453 11.447 -7.613 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.391 11.563 -10.304 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.244 10.978 -10.063 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.941 10.225 -9.193 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.430 9.174 -7.851 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.664 9.012 -9.449 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.191 13.459 -10.065 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.692 12.847 -8.471 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.968 13.440 -8.715 1.00 0.00 H new ATOM 831 N ARG A 56 -1.781 11.530 -6.685 1.00 0.00 N ATOM 832 CA ARG A 56 -2.999 12.390 -6.708 1.00 0.00 C ATOM 833 C ARG A 56 -2.914 13.458 -5.612 1.00 0.00 C ATOM 834 O ARG A 56 -2.710 14.624 -5.887 1.00 0.00 O ATOM 835 CB ARG A 56 -4.235 11.519 -6.475 1.00 0.00 C ATOM 836 CG ARG A 56 -5.161 11.614 -7.689 1.00 0.00 C ATOM 837 CD ARG A 56 -6.405 10.756 -7.451 1.00 0.00 C ATOM 838 NE ARG A 56 -7.404 11.026 -8.523 1.00 0.00 N ATOM 839 CZ ARG A 56 -8.589 10.484 -8.463 1.00 0.00 C ATOM 840 NH1 ARG A 56 -9.389 10.771 -7.474 1.00 0.00 N ATOM 841 NH2 ARG A 56 -8.977 9.656 -9.394 1.00 0.00 N ATOM 0 H ARG A 56 -1.292 11.490 -5.791 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.070 12.883 -7.677 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.938 10.483 -6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.760 11.846 -5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.449 12.651 -7.860 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.639 11.277 -8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.136 9.700 -7.446 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.834 10.980 -6.474 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.161 11.635 -9.304 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.088 11.420 -6.747 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.315 10.347 -7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.353 9.432 -10.170 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.904 9.233 -9.346 1.00 0.00 H new ATOM 855 N MET A 57 -3.082 13.076 -4.373 1.00 0.00 N ATOM 856 CA MET A 57 -3.022 14.078 -3.268 1.00 0.00 C ATOM 857 C MET A 57 -1.690 14.833 -3.321 1.00 0.00 C ATOM 858 O MET A 57 -0.645 14.234 -3.482 1.00 0.00 O ATOM 859 CB MET A 57 -3.158 13.365 -1.916 1.00 0.00 C ATOM 860 CG MET A 57 -1.841 12.674 -1.551 1.00 0.00 C ATOM 861 SD MET A 57 -1.955 12.010 0.130 1.00 0.00 S ATOM 862 CE MET A 57 -0.889 10.567 -0.115 1.00 0.00 C ATOM 0 H MET A 57 -3.258 12.115 -4.079 1.00 0.00 H new ATOM 0 HA MET A 57 -3.840 14.788 -3.385 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.427 14.084 -1.142 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.962 12.631 -1.962 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.631 11.871 -2.257 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.015 13.382 -1.619 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.762 10.044 0.833 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.347 9.896 -0.842 1.00 0.00 H new ATOM 0 HE3 MET A 57 0.084 10.892 -0.484 1.00 0.00 H new ATOM 872 N PRO A 58 -1.769 16.133 -3.175 1.00 0.00 N ATOM 873 CA PRO A 58 -0.520 16.928 -3.209 1.00 0.00 C ATOM 874 C PRO A 58 -0.268 17.581 -1.846 1.00 0.00 C ATOM 875 O PRO A 58 -0.398 18.778 -1.688 1.00 0.00 O ATOM 876 CB PRO A 58 -0.772 17.995 -4.275 1.00 0.00 C ATOM 877 CG PRO A 58 -2.301 18.137 -4.390 1.00 0.00 C ATOM 878 CD PRO A 58 -2.906 16.848 -3.808 1.00 0.00 C ATOM 0 HA PRO A 58 0.356 16.319 -3.433 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -0.313 18.943 -3.993 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.336 17.702 -5.230 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.651 19.012 -3.842 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.601 18.271 -5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -3.684 17.073 -3.079 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.366 16.242 -4.589 1.00 0.00 H new ATOM 886 N GLY A 59 0.095 16.803 -0.865 1.00 0.00 N ATOM 887 CA GLY A 59 0.359 17.380 0.485 1.00 0.00 C ATOM 888 C GLY A 59 1.797 17.067 0.901 1.00 0.00 C ATOM 889 O GLY A 59 2.723 17.774 0.554 1.00 0.00 O ATOM 0 H GLY A 59 0.221 15.793 -0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.200 18.458 0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.340 16.966 1.212 1.00 0.00 H new ATOM 893 N MET A 60 1.995 16.009 1.639 1.00 0.00 N ATOM 894 CA MET A 60 3.376 15.652 2.069 1.00 0.00 C ATOM 895 C MET A 60 4.206 15.292 0.836 1.00 0.00 C ATOM 896 O MET A 60 5.292 15.800 0.634 1.00 0.00 O ATOM 897 CB MET A 60 3.320 14.452 3.019 1.00 0.00 C ATOM 898 CG MET A 60 4.422 14.579 4.073 1.00 0.00 C ATOM 899 SD MET A 60 4.684 12.975 4.869 1.00 0.00 S ATOM 900 CE MET A 60 6.217 12.544 4.010 1.00 0.00 C ATOM 0 H MET A 60 1.262 15.378 1.962 1.00 0.00 H new ATOM 0 HA MET A 60 3.832 16.497 2.584 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.344 14.404 3.503 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.444 13.526 2.458 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.347 14.922 3.608 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.144 15.325 4.817 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.566 11.570 4.354 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.034 12.505 2.936 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.977 13.297 4.221 1.00 0.00 H new ATOM 910 N ASP A 61 3.697 14.422 0.006 1.00 0.00 N ATOM 911 CA ASP A 61 4.446 14.026 -1.219 1.00 0.00 C ATOM 912 C ASP A 61 3.457 13.538 -2.277 1.00 0.00 C ATOM 913 O ASP A 61 2.263 13.499 -2.054 1.00 0.00 O ATOM 914 CB ASP A 61 5.422 12.897 -0.881 1.00 0.00 C ATOM 915 CG ASP A 61 4.635 11.663 -0.436 1.00 0.00 C ATOM 916 OD1 ASP A 61 4.178 11.652 0.694 1.00 0.00 O ATOM 917 OD2 ASP A 61 4.503 10.750 -1.234 1.00 0.00 O ATOM 0 H ASP A 61 2.792 13.968 0.125 1.00 0.00 H new ATOM 0 HA ASP A 61 5.001 14.883 -1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.034 12.658 -1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.102 13.213 -0.090 1.00 0.00 H new ATOM 922 N GLY A 62 3.944 13.156 -3.425 1.00 0.00 N ATOM 923 CA GLY A 62 3.030 12.661 -4.493 1.00 0.00 C ATOM 924 C GLY A 62 2.815 11.159 -4.309 1.00 0.00 C ATOM 925 O GLY A 62 2.872 10.398 -5.254 1.00 0.00 O ATOM 0 H GLY A 62 4.934 13.165 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.076 13.186 -4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.456 12.863 -5.476 1.00 0.00 H new ATOM 929 N LEU A 63 2.572 10.738 -3.091 1.00 0.00 N ATOM 930 CA LEU A 63 2.355 9.287 -2.802 1.00 0.00 C ATOM 931 C LEU A 63 3.219 8.430 -3.739 1.00 0.00 C ATOM 932 O LEU A 63 4.428 8.424 -3.629 1.00 0.00 O ATOM 933 CB LEU A 63 0.871 8.934 -2.965 1.00 0.00 C ATOM 934 CG LEU A 63 0.290 9.637 -4.193 1.00 0.00 C ATOM 935 CD1 LEU A 63 -1.037 8.977 -4.574 1.00 0.00 C ATOM 936 CD2 LEU A 63 0.046 11.112 -3.871 1.00 0.00 C ATOM 0 H LEU A 63 2.514 11.347 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 63 2.649 9.081 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.756 7.855 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.319 9.231 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 63 0.992 9.557 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.454 9.476 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.868 7.925 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.736 9.059 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.368 11.612 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.657 11.192 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.988 11.585 -3.595 1.00 0.00 H new ATOM 948 N ALA A 64 2.620 7.712 -4.661 1.00 0.00 N ATOM 949 CA ALA A 64 3.427 6.868 -5.592 1.00 0.00 C ATOM 950 C ALA A 64 4.560 6.195 -4.817 1.00 0.00 C ATOM 951 O ALA A 64 5.725 6.378 -5.115 1.00 0.00 O ATOM 952 CB ALA A 64 4.017 7.748 -6.697 1.00 0.00 C ATOM 0 H ALA A 64 1.611 7.676 -4.806 1.00 0.00 H new ATOM 0 HA ALA A 64 2.788 6.105 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.606 7.132 -7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.210 8.228 -7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.656 8.511 -6.252 1.00 0.00 H new ATOM 958 N LEU A 65 4.228 5.429 -3.816 1.00 0.00 N ATOM 959 CA LEU A 65 5.277 4.752 -3.004 1.00 0.00 C ATOM 960 C LEU A 65 5.779 3.501 -3.724 1.00 0.00 C ATOM 961 O LEU A 65 5.489 2.390 -3.330 1.00 0.00 O ATOM 962 CB LEU A 65 4.693 4.367 -1.647 1.00 0.00 C ATOM 963 CG LEU A 65 5.142 5.386 -0.596 1.00 0.00 C ATOM 964 CD1 LEU A 65 4.913 6.808 -1.118 1.00 0.00 C ATOM 965 CD2 LEU A 65 4.328 5.185 0.681 1.00 0.00 C ATOM 0 H LEU A 65 3.269 5.242 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 65 6.116 5.434 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.605 4.339 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.024 3.367 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 65 6.202 5.243 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.234 7.528 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.488 6.957 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.853 6.952 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.645 5.909 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.269 5.327 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.488 4.176 1.060 1.00 0.00 H new ATOM 977 N LEU A 66 6.552 3.672 -4.763 1.00 0.00 N ATOM 978 CA LEU A 66 7.093 2.491 -5.483 1.00 0.00 C ATOM 979 C LEU A 66 8.399 2.085 -4.806 1.00 0.00 C ATOM 980 O LEU A 66 8.571 0.957 -4.391 1.00 0.00 O ATOM 981 CB LEU A 66 7.352 2.841 -6.951 1.00 0.00 C ATOM 982 CG LEU A 66 7.168 1.588 -7.811 1.00 0.00 C ATOM 983 CD1 LEU A 66 5.779 0.995 -7.563 1.00 0.00 C ATOM 984 CD2 LEU A 66 7.304 1.958 -9.289 1.00 0.00 C ATOM 0 H LEU A 66 6.830 4.578 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 66 6.377 1.670 -5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.666 3.623 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.362 3.233 -7.070 1.00 0.00 H new ATOM 0 HG LEU A 66 7.930 0.854 -7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.649 0.103 -8.176 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.679 0.730 -6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.018 1.729 -7.826 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.173 1.066 -9.901 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.543 2.693 -9.552 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.293 2.379 -9.469 1.00 0.00 H new ATOM 996 N LYS A 67 9.313 3.008 -4.660 1.00 0.00 N ATOM 997 CA LYS A 67 10.589 2.673 -3.973 1.00 0.00 C ATOM 998 C LYS A 67 10.234 2.084 -2.610 1.00 0.00 C ATOM 999 O LYS A 67 10.990 1.335 -2.022 1.00 0.00 O ATOM 1000 CB LYS A 67 11.428 3.938 -3.786 1.00 0.00 C ATOM 1001 CG LYS A 67 10.674 4.926 -2.897 1.00 0.00 C ATOM 1002 CD LYS A 67 10.197 6.105 -3.743 1.00 0.00 C ATOM 1003 CE LYS A 67 8.703 6.332 -3.513 1.00 0.00 C ATOM 1004 NZ LYS A 67 8.200 7.328 -4.500 1.00 0.00 N ATOM 0 H LYS A 67 9.230 3.971 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 67 11.167 1.962 -4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.388 3.687 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.640 4.392 -4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.823 4.433 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.322 5.278 -2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.756 7.003 -3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.387 5.908 -4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.160 5.393 -3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.529 6.689 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.177 7.197 -4.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.382 8.289 -4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.689 7.194 -5.408 1.00 0.00 H new ATOM 1018 N GLN A 68 9.066 2.411 -2.120 1.00 0.00 N ATOM 1019 CA GLN A 68 8.615 1.873 -0.810 1.00 0.00 C ATOM 1020 C GLN A 68 8.113 0.441 -1.040 1.00 0.00 C ATOM 1021 O GLN A 68 8.589 -0.492 -0.425 1.00 0.00 O ATOM 1022 CB GLN A 68 7.499 2.790 -0.244 1.00 0.00 C ATOM 1023 CG GLN A 68 6.383 1.980 0.411 1.00 0.00 C ATOM 1024 CD GLN A 68 6.914 1.310 1.682 1.00 0.00 C ATOM 1025 OE1 GLN A 68 7.771 0.451 1.618 1.00 0.00 O ATOM 1026 NE2 GLN A 68 6.440 1.671 2.842 1.00 0.00 N ATOM 0 H GLN A 68 8.402 3.034 -2.579 1.00 0.00 H new ATOM 0 HA GLN A 68 9.426 1.851 -0.082 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.927 3.477 0.486 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.084 3.398 -1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.542 2.630 0.654 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.012 1.225 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.721 2.392 2.897 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.789 1.232 3.694 1.00 0.00 H new ATOM 1035 N ILE A 69 7.150 0.271 -1.921 1.00 0.00 N ATOM 1036 CA ILE A 69 6.594 -1.092 -2.214 1.00 0.00 C ATOM 1037 C ILE A 69 7.701 -2.149 -2.082 1.00 0.00 C ATOM 1038 O ILE A 69 7.503 -3.210 -1.521 1.00 0.00 O ATOM 1039 CB ILE A 69 6.000 -1.088 -3.640 1.00 0.00 C ATOM 1040 CG1 ILE A 69 4.678 -1.866 -3.642 1.00 0.00 C ATOM 1041 CG2 ILE A 69 6.966 -1.723 -4.649 1.00 0.00 C ATOM 1042 CD1 ILE A 69 3.525 -0.904 -3.936 1.00 0.00 C ATOM 0 H ILE A 69 6.722 1.028 -2.454 1.00 0.00 H new ATOM 0 HA ILE A 69 5.808 -1.340 -1.500 1.00 0.00 H new ATOM 0 HB ILE A 69 5.829 -0.053 -3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.709 -2.655 -4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.526 -2.350 -2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.518 -1.705 -5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.900 -1.161 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.167 -2.755 -4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.584 -1.454 -3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.492 -0.131 -3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.677 -0.441 -4.911 1.00 0.00 H new ATOM 1054 N LYS A 70 8.866 -1.853 -2.592 1.00 0.00 N ATOM 1055 CA LYS A 70 10.000 -2.816 -2.502 1.00 0.00 C ATOM 1056 C LYS A 70 10.675 -2.676 -1.135 1.00 0.00 C ATOM 1057 O LYS A 70 10.799 -3.629 -0.391 1.00 0.00 O ATOM 1058 CB LYS A 70 11.007 -2.497 -3.606 1.00 0.00 C ATOM 1059 CG LYS A 70 11.239 -3.747 -4.455 1.00 0.00 C ATOM 1060 CD LYS A 70 12.481 -4.489 -3.955 1.00 0.00 C ATOM 1061 CE LYS A 70 12.491 -4.527 -2.423 1.00 0.00 C ATOM 1062 NZ LYS A 70 13.587 -5.421 -1.956 1.00 0.00 N ATOM 0 H LYS A 70 9.082 -0.979 -3.071 1.00 0.00 H new ATOM 0 HA LYS A 70 9.634 -3.836 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.635 -1.684 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.947 -2.160 -3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.368 -4.400 -4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.367 -3.469 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.492 -5.504 -4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.381 -3.994 -4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.632 -3.522 -2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.531 -4.886 -2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.594 -5.447 -0.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.433 -6.381 -2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.500 -5.060 -2.300 1.00 0.00 H new ATOM 1076 N GLN A 71 11.125 -1.490 -0.816 1.00 0.00 N ATOM 1077 CA GLN A 71 11.813 -1.247 0.488 1.00 0.00 C ATOM 1078 C GLN A 71 11.221 -2.121 1.602 1.00 0.00 C ATOM 1079 O GLN A 71 11.910 -2.498 2.529 1.00 0.00 O ATOM 1080 CB GLN A 71 11.641 0.225 0.872 1.00 0.00 C ATOM 1081 CG GLN A 71 12.704 0.611 1.904 1.00 0.00 C ATOM 1082 CD GLN A 71 12.295 1.913 2.597 1.00 0.00 C ATOM 1083 OE1 GLN A 71 12.052 2.911 1.946 1.00 0.00 O ATOM 1084 NE2 GLN A 71 12.206 1.945 3.898 1.00 0.00 N ATOM 0 H GLN A 71 11.044 -0.667 -1.413 1.00 0.00 H new ATOM 0 HA GLN A 71 12.867 -1.499 0.374 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.732 0.856 -0.012 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.644 0.391 1.281 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.817 -0.185 2.640 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.671 0.734 1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.410 1.108 4.444 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.933 2.807 4.369 1.00 0.00 H new ATOM 1093 N ARG A 72 9.952 -2.429 1.541 1.00 0.00 N ATOM 1094 CA ARG A 72 9.344 -3.257 2.626 1.00 0.00 C ATOM 1095 C ARG A 72 9.058 -4.683 2.132 1.00 0.00 C ATOM 1096 O ARG A 72 9.792 -5.603 2.433 1.00 0.00 O ATOM 1097 CB ARG A 72 8.046 -2.597 3.102 1.00 0.00 C ATOM 1098 CG ARG A 72 7.916 -2.759 4.619 1.00 0.00 C ATOM 1099 CD ARG A 72 8.733 -1.674 5.325 1.00 0.00 C ATOM 1100 NE ARG A 72 8.671 -1.889 6.798 1.00 0.00 N ATOM 1101 CZ ARG A 72 7.525 -2.119 7.378 1.00 0.00 C ATOM 1102 NH1 ARG A 72 6.784 -1.122 7.777 1.00 0.00 N ATOM 1103 NH2 ARG A 72 7.120 -3.346 7.560 1.00 0.00 N ATOM 0 H ARG A 72 9.315 -2.147 0.796 1.00 0.00 H new ATOM 0 HA ARG A 72 10.049 -3.321 3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.045 -1.540 2.837 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.190 -3.051 2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.869 -2.689 4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.267 -3.746 4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.768 -1.704 4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.343 -0.688 5.073 1.00 0.00 H new ATOM 0 HE ARG A 72 9.526 -1.856 7.354 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.101 -0.163 7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.888 -1.302 8.230 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.699 -4.126 7.249 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.224 -3.525 8.013 1.00 0.00 H new ATOM 1117 N HIS A 73 7.996 -4.891 1.394 1.00 0.00 N ATOM 1118 CA HIS A 73 7.692 -6.274 0.920 1.00 0.00 C ATOM 1119 C HIS A 73 8.776 -6.723 -0.073 1.00 0.00 C ATOM 1120 O HIS A 73 9.306 -5.919 -0.814 1.00 0.00 O ATOM 1121 CB HIS A 73 6.276 -6.317 0.301 1.00 0.00 C ATOM 1122 CG HIS A 73 6.217 -5.632 -1.043 1.00 0.00 C ATOM 1123 ND1 HIS A 73 7.076 -5.933 -2.093 1.00 0.00 N ATOM 1124 CD2 HIS A 73 5.366 -4.667 -1.527 1.00 0.00 C ATOM 1125 CE1 HIS A 73 6.728 -5.160 -3.137 1.00 0.00 C ATOM 1126 NE2 HIS A 73 5.693 -4.370 -2.846 1.00 0.00 N ATOM 0 H HIS A 73 7.334 -4.172 1.103 1.00 0.00 H new ATOM 0 HA HIS A 73 7.700 -6.971 1.758 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.961 -7.355 0.191 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.570 -5.840 0.981 1.00 0.00 H new ATOM 0 HD1 HIS A 73 7.833 -6.616 -2.075 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.564 -4.208 -0.967 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.226 -5.177 -4.095 1.00 0.00 H new ATOM 1134 N PRO A 74 9.093 -7.998 -0.022 1.00 0.00 N ATOM 1135 CA PRO A 74 10.156 -8.532 -0.910 1.00 0.00 C ATOM 1136 C PRO A 74 10.146 -7.840 -2.279 1.00 0.00 C ATOM 1137 O PRO A 74 10.759 -6.808 -2.459 1.00 0.00 O ATOM 1138 CB PRO A 74 9.835 -10.022 -1.040 1.00 0.00 C ATOM 1139 CG PRO A 74 8.347 -10.171 -0.717 1.00 0.00 C ATOM 1140 CD PRO A 74 7.933 -8.916 0.060 1.00 0.00 C ATOM 0 HA PRO A 74 11.153 -8.358 -0.505 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.052 -10.380 -2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.443 -10.612 -0.354 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.761 -10.270 -1.631 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.168 -11.068 -0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.042 -8.462 -0.374 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.696 -9.157 1.096 1.00 0.00 H new ATOM 1148 N MET A 75 9.470 -8.395 -3.252 1.00 0.00 N ATOM 1149 CA MET A 75 9.456 -7.745 -4.593 1.00 0.00 C ATOM 1150 C MET A 75 8.576 -8.537 -5.562 1.00 0.00 C ATOM 1151 O MET A 75 8.990 -9.533 -6.123 1.00 0.00 O ATOM 1152 CB MET A 75 10.884 -7.690 -5.139 1.00 0.00 C ATOM 1153 CG MET A 75 11.429 -9.112 -5.286 1.00 0.00 C ATOM 1154 SD MET A 75 13.053 -9.223 -4.494 1.00 0.00 S ATOM 1155 CE MET A 75 13.957 -9.860 -5.926 1.00 0.00 C ATOM 0 H MET A 75 8.934 -9.259 -3.177 1.00 0.00 H new ATOM 0 HA MET A 75 9.052 -6.737 -4.494 1.00 0.00 H new ATOM 0 HB2 MET A 75 10.897 -7.183 -6.104 1.00 0.00 H new ATOM 0 HB3 MET A 75 11.520 -7.113 -4.467 1.00 0.00 H new ATOM 0 HG2 MET A 75 10.741 -9.825 -4.831 1.00 0.00 H new ATOM 0 HG3 MET A 75 11.509 -9.375 -6.341 1.00 0.00 H new ATOM 0 HE1 MET A 75 15.004 -10.007 -5.660 1.00 0.00 H new ATOM 0 HE2 MET A 75 13.525 -10.812 -6.235 1.00 0.00 H new ATOM 0 HE3 MET A 75 13.888 -9.146 -6.747 1.00 0.00 H new ATOM 1165 N LEU A 76 7.370 -8.089 -5.778 1.00 0.00 N ATOM 1166 CA LEU A 76 6.463 -8.793 -6.726 1.00 0.00 C ATOM 1167 C LEU A 76 6.074 -7.801 -7.836 1.00 0.00 C ATOM 1168 O LEU A 76 6.161 -6.606 -7.633 1.00 0.00 O ATOM 1169 CB LEU A 76 5.233 -9.311 -5.956 1.00 0.00 C ATOM 1170 CG LEU A 76 4.411 -8.152 -5.377 1.00 0.00 C ATOM 1171 CD1 LEU A 76 3.685 -7.401 -6.494 1.00 0.00 C ATOM 1172 CD2 LEU A 76 3.375 -8.719 -4.408 1.00 0.00 C ATOM 0 H LEU A 76 6.972 -7.261 -5.336 1.00 0.00 H new ATOM 0 HA LEU A 76 6.950 -9.654 -7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.608 -9.906 -6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.556 -9.969 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 76 5.081 -7.462 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.107 -6.582 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.415 -7.001 -7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.015 -8.084 -7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.784 -7.904 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.718 -9.408 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.882 -9.250 -3.603 1.00 0.00 H new ATOM 1184 N PRO A 77 5.692 -8.312 -8.988 1.00 0.00 N ATOM 1185 CA PRO A 77 5.355 -7.366 -10.081 1.00 0.00 C ATOM 1186 C PRO A 77 4.544 -6.177 -9.554 1.00 0.00 C ATOM 1187 O PRO A 77 3.566 -6.330 -8.843 1.00 0.00 O ATOM 1188 CB PRO A 77 4.546 -8.190 -11.083 1.00 0.00 C ATOM 1189 CG PRO A 77 3.976 -9.381 -10.300 1.00 0.00 C ATOM 1190 CD PRO A 77 4.847 -9.535 -9.043 1.00 0.00 C ATOM 0 HA PRO A 77 6.247 -6.936 -10.537 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.746 -7.593 -11.521 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.176 -8.530 -11.905 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.934 -9.205 -10.031 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.001 -10.289 -10.903 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.231 -9.626 -8.148 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.461 -10.433 -9.100 1.00 0.00 H new ATOM 1198 N VAL A 78 4.963 -4.985 -9.888 1.00 0.00 N ATOM 1199 CA VAL A 78 4.246 -3.776 -9.409 1.00 0.00 C ATOM 1200 C VAL A 78 4.140 -2.767 -10.552 1.00 0.00 C ATOM 1201 O VAL A 78 4.866 -2.838 -11.524 1.00 0.00 O ATOM 1202 CB VAL A 78 5.029 -3.139 -8.260 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.472 -3.629 -6.921 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.511 -3.516 -8.366 1.00 0.00 C ATOM 0 H VAL A 78 5.776 -4.800 -10.475 1.00 0.00 H new ATOM 0 HA VAL A 78 3.251 -4.058 -9.066 1.00 0.00 H new ATOM 0 HB VAL A 78 4.929 -2.055 -8.320 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.033 -3.173 -6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.421 -3.350 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.565 -4.713 -6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.062 -3.059 -7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.615 -4.600 -8.314 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.911 -3.158 -9.315 1.00 0.00 H new ATOM 1214 N ILE A 79 3.251 -1.820 -10.440 1.00 0.00 N ATOM 1215 CA ILE A 79 3.109 -0.800 -11.516 1.00 0.00 C ATOM 1216 C ILE A 79 2.806 0.558 -10.880 1.00 0.00 C ATOM 1217 O ILE A 79 2.170 0.640 -9.848 1.00 0.00 O ATOM 1218 CB ILE A 79 1.968 -1.192 -12.456 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.961 -2.712 -12.653 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.162 -0.503 -13.806 1.00 0.00 C ATOM 1221 CD1 ILE A 79 3.116 -3.123 -13.570 1.00 0.00 C ATOM 0 H ILE A 79 2.616 -1.708 -9.649 1.00 0.00 H new ATOM 0 HA ILE A 79 4.035 -0.742 -12.087 1.00 0.00 H new ATOM 0 HB ILE A 79 1.018 -0.881 -12.021 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.054 -3.213 -11.689 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.012 -3.027 -13.086 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.349 -0.782 -14.477 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.163 0.578 -13.666 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.113 -0.813 -14.239 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.105 -4.204 -13.706 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.004 -2.634 -14.538 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.062 -2.823 -13.120 1.00 0.00 H new ATOM 1233 N ILE A 80 3.263 1.623 -11.479 1.00 0.00 N ATOM 1234 CA ILE A 80 3.004 2.969 -10.896 1.00 0.00 C ATOM 1235 C ILE A 80 2.598 3.945 -12.003 1.00 0.00 C ATOM 1236 O ILE A 80 3.123 3.912 -13.098 1.00 0.00 O ATOM 1237 CB ILE A 80 4.275 3.474 -10.209 1.00 0.00 C ATOM 1238 CG1 ILE A 80 4.077 4.923 -9.757 1.00 0.00 C ATOM 1239 CG2 ILE A 80 5.448 3.403 -11.189 1.00 0.00 C ATOM 1240 CD1 ILE A 80 5.327 5.399 -9.012 1.00 0.00 C ATOM 0 H ILE A 80 3.803 1.619 -12.344 1.00 0.00 H new ATOM 0 HA ILE A 80 2.196 2.899 -10.168 1.00 0.00 H new ATOM 0 HB ILE A 80 4.486 2.850 -9.340 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.889 5.562 -10.620 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.204 4.997 -9.109 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.353 3.763 -10.700 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.594 2.371 -11.508 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.234 4.025 -12.058 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.188 6.431 -8.689 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.494 4.766 -8.141 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.190 5.340 -9.675 1.00 0.00 H new ATOM 1252 N MET A 81 1.668 4.818 -11.722 1.00 0.00 N ATOM 1253 CA MET A 81 1.230 5.799 -12.753 1.00 0.00 C ATOM 1254 C MET A 81 2.118 7.043 -12.668 1.00 0.00 C ATOM 1255 O MET A 81 1.912 7.908 -11.841 1.00 0.00 O ATOM 1256 CB MET A 81 -0.228 6.190 -12.504 1.00 0.00 C ATOM 1257 CG MET A 81 -0.879 6.609 -13.822 1.00 0.00 C ATOM 1258 SD MET A 81 -2.629 6.149 -13.801 1.00 0.00 S ATOM 1259 CE MET A 81 -2.415 4.429 -14.317 1.00 0.00 C ATOM 0 H MET A 81 1.193 4.893 -10.822 1.00 0.00 H new ATOM 0 HA MET A 81 1.316 5.353 -13.744 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.771 5.351 -12.069 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.278 7.008 -11.786 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.776 7.685 -13.965 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.375 6.126 -14.659 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.257 3.835 -13.961 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.369 4.378 -15.405 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.490 4.035 -13.896 1.00 0.00 H new ATOM 1269 N THR A 82 3.107 7.132 -13.513 1.00 0.00 N ATOM 1270 CA THR A 82 4.013 8.314 -13.478 1.00 0.00 C ATOM 1271 C THR A 82 3.202 9.592 -13.707 1.00 0.00 C ATOM 1272 O THR A 82 2.195 9.586 -14.386 1.00 0.00 O ATOM 1273 CB THR A 82 5.068 8.179 -14.577 1.00 0.00 C ATOM 1274 OG1 THR A 82 4.533 7.420 -15.652 1.00 0.00 O ATOM 1275 CG2 THR A 82 6.303 7.472 -14.017 1.00 0.00 C ATOM 0 H THR A 82 3.327 6.437 -14.227 1.00 0.00 H new ATOM 0 HA THR A 82 4.502 8.365 -12.505 1.00 0.00 H new ATOM 0 HB THR A 82 5.350 9.169 -14.935 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.207 7.333 -16.358 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.054 7.376 -14.801 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.712 8.054 -13.191 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.024 6.481 -13.659 1.00 0.00 H new ATOM 1283 N ALA A 83 3.636 10.686 -13.145 1.00 0.00 N ATOM 1284 CA ALA A 83 2.894 11.964 -13.329 1.00 0.00 C ATOM 1285 C ALA A 83 3.603 13.077 -12.555 1.00 0.00 C ATOM 1286 O ALA A 83 3.041 13.680 -11.662 1.00 0.00 O ATOM 1287 CB ALA A 83 1.464 11.804 -12.807 1.00 0.00 C ATOM 0 H ALA A 83 4.473 10.750 -12.566 1.00 0.00 H new ATOM 0 HA ALA A 83 2.864 12.221 -14.388 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.921 12.739 -12.942 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.962 11.010 -13.359 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.490 11.549 -11.748 1.00 0.00 H new ATOM 1293 N HIS A 84 4.836 13.353 -12.891 1.00 0.00 N ATOM 1294 CA HIS A 84 5.591 14.424 -12.178 1.00 0.00 C ATOM 1295 C HIS A 84 6.104 13.884 -10.842 1.00 0.00 C ATOM 1296 O HIS A 84 5.447 13.103 -10.183 1.00 0.00 O ATOM 1297 CB HIS A 84 4.673 15.624 -11.928 1.00 0.00 C ATOM 1298 CG HIS A 84 5.371 16.883 -12.360 1.00 0.00 C ATOM 1299 ND1 HIS A 84 5.627 17.926 -11.482 1.00 0.00 N ATOM 1300 CD2 HIS A 84 5.875 17.282 -13.573 1.00 0.00 C ATOM 1301 CE1 HIS A 84 6.259 18.892 -12.174 1.00 0.00 C ATOM 1302 NE2 HIS A 84 6.437 18.551 -13.453 1.00 0.00 N ATOM 0 H HIS A 84 5.354 12.880 -13.632 1.00 0.00 H new ATOM 0 HA HIS A 84 6.436 14.739 -12.791 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.741 15.504 -12.480 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.413 15.683 -10.871 1.00 0.00 H new ATOM 0 HD2 HIS A 84 5.841 16.700 -14.482 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.583 19.829 -11.747 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.887 19.101 -14.184 1.00 0.00 H new ATOM 1310 N SER A 85 7.278 14.292 -10.438 1.00 0.00 N ATOM 1311 CA SER A 85 7.836 13.797 -9.147 1.00 0.00 C ATOM 1312 C SER A 85 7.823 12.269 -9.145 1.00 0.00 C ATOM 1313 O SER A 85 7.266 11.648 -10.028 1.00 0.00 O ATOM 1314 CB SER A 85 6.989 14.319 -7.986 1.00 0.00 C ATOM 1315 OG SER A 85 5.779 13.578 -7.916 1.00 0.00 O ATOM 0 H SER A 85 7.874 14.946 -10.946 1.00 0.00 H new ATOM 0 HA SER A 85 8.860 14.154 -9.032 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.539 14.227 -7.050 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.773 15.378 -8.126 1.00 0.00 H new ATOM 0 HG SER A 85 5.267 13.710 -8.741 1.00 0.00 H new ATOM 1321 N ASP A 86 8.441 11.667 -8.161 1.00 0.00 N ATOM 1322 CA ASP A 86 8.488 10.176 -8.082 1.00 0.00 C ATOM 1323 C ASP A 86 9.647 9.661 -8.940 1.00 0.00 C ATOM 1324 O ASP A 86 10.492 8.929 -8.473 1.00 0.00 O ATOM 1325 CB ASP A 86 7.169 9.576 -8.582 1.00 0.00 C ATOM 1326 CG ASP A 86 5.995 10.392 -8.038 1.00 0.00 C ATOM 1327 OD1 ASP A 86 5.876 10.489 -6.827 1.00 0.00 O ATOM 1328 OD2 ASP A 86 5.232 10.903 -8.841 1.00 0.00 O ATOM 0 H ASP A 86 8.920 12.150 -7.401 1.00 0.00 H new ATOM 0 HA ASP A 86 8.637 9.877 -7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.149 9.573 -9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.084 8.538 -8.259 1.00 0.00 H new ATOM 1333 N LEU A 87 9.679 10.033 -10.194 1.00 0.00 N ATOM 1334 CA LEU A 87 10.767 9.575 -11.110 1.00 0.00 C ATOM 1335 C LEU A 87 12.095 9.452 -10.358 1.00 0.00 C ATOM 1336 O LEU A 87 12.934 8.641 -10.689 1.00 0.00 O ATOM 1337 CB LEU A 87 10.925 10.606 -12.231 1.00 0.00 C ATOM 1338 CG LEU A 87 10.811 9.908 -13.586 1.00 0.00 C ATOM 1339 CD1 LEU A 87 11.742 8.695 -13.614 1.00 0.00 C ATOM 1340 CD2 LEU A 87 9.368 9.449 -13.800 1.00 0.00 C ATOM 0 H LEU A 87 8.987 10.644 -10.628 1.00 0.00 H new ATOM 0 HA LEU A 87 10.504 8.598 -11.514 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.159 11.376 -12.141 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.890 11.105 -12.147 1.00 0.00 H new ATOM 0 HG LEU A 87 11.094 10.601 -14.378 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.661 8.197 -14.580 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.770 9.022 -13.459 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.459 8.001 -12.823 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.284 8.951 -14.766 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.086 8.755 -13.008 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.704 10.313 -13.779 1.00 0.00 H new ATOM 1352 N ASP A 88 12.301 10.262 -9.356 1.00 0.00 N ATOM 1353 CA ASP A 88 13.582 10.201 -8.596 1.00 0.00 C ATOM 1354 C ASP A 88 13.713 8.845 -7.889 1.00 0.00 C ATOM 1355 O ASP A 88 14.129 7.867 -8.481 1.00 0.00 O ATOM 1356 CB ASP A 88 13.623 11.340 -7.567 1.00 0.00 C ATOM 1357 CG ASP A 88 12.228 11.562 -6.973 1.00 0.00 C ATOM 1358 OD1 ASP A 88 11.423 10.647 -7.039 1.00 0.00 O ATOM 1359 OD2 ASP A 88 11.992 12.642 -6.459 1.00 0.00 O ATOM 0 H ASP A 88 11.637 10.964 -9.030 1.00 0.00 H new ATOM 0 HA ASP A 88 14.416 10.313 -9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 88 14.331 11.099 -6.774 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.975 12.256 -8.041 1.00 0.00 H new ATOM 1364 N ALA A 89 13.376 8.775 -6.631 1.00 0.00 N ATOM 1365 CA ALA A 89 13.493 7.483 -5.897 1.00 0.00 C ATOM 1366 C ALA A 89 12.969 6.340 -6.768 1.00 0.00 C ATOM 1367 O ALA A 89 13.530 5.264 -6.799 1.00 0.00 O ATOM 1368 CB ALA A 89 12.675 7.558 -4.609 1.00 0.00 C ATOM 0 H ALA A 89 13.024 9.557 -6.079 1.00 0.00 H new ATOM 0 HA ALA A 89 14.540 7.298 -5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.758 6.614 -4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.053 8.368 -3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.629 7.746 -4.853 1.00 0.00 H new ATOM 1374 N ALA A 90 11.893 6.562 -7.472 1.00 0.00 N ATOM 1375 CA ALA A 90 11.335 5.487 -8.341 1.00 0.00 C ATOM 1376 C ALA A 90 12.445 4.925 -9.232 1.00 0.00 C ATOM 1377 O ALA A 90 12.635 3.728 -9.314 1.00 0.00 O ATOM 1378 CB ALA A 90 10.220 6.066 -9.217 1.00 0.00 C ATOM 0 H ALA A 90 11.376 7.441 -7.483 1.00 0.00 H new ATOM 0 HA ALA A 90 10.930 4.689 -7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.812 5.280 -9.853 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.430 6.467 -8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.624 6.864 -9.840 1.00 0.00 H new ATOM 1384 N VAL A 91 13.166 5.789 -9.906 1.00 0.00 N ATOM 1385 CA VAL A 91 14.271 5.339 -10.812 1.00 0.00 C ATOM 1386 C VAL A 91 14.926 4.066 -10.257 1.00 0.00 C ATOM 1387 O VAL A 91 15.315 3.185 -10.996 1.00 0.00 O ATOM 1388 CB VAL A 91 15.308 6.470 -10.917 1.00 0.00 C ATOM 1389 CG1 VAL A 91 16.682 5.907 -11.304 1.00 0.00 C ATOM 1390 CG2 VAL A 91 14.859 7.464 -11.989 1.00 0.00 C ATOM 0 H VAL A 91 13.034 6.800 -9.866 1.00 0.00 H new ATOM 0 HA VAL A 91 13.871 5.112 -11.800 1.00 0.00 H new ATOM 0 HB VAL A 91 15.387 6.965 -9.949 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.403 6.722 -11.374 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.010 5.196 -10.546 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.610 5.403 -12.268 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.590 8.269 -12.068 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.777 6.952 -12.948 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.889 7.881 -11.716 1.00 0.00 H new ATOM 1400 N SER A 92 15.044 3.968 -8.961 1.00 0.00 N ATOM 1401 CA SER A 92 15.665 2.756 -8.354 1.00 0.00 C ATOM 1402 C SER A 92 14.578 1.721 -8.056 1.00 0.00 C ATOM 1403 O SER A 92 14.551 1.118 -7.002 1.00 0.00 O ATOM 1404 CB SER A 92 16.366 3.144 -7.051 1.00 0.00 C ATOM 1405 OG SER A 92 17.362 2.177 -6.745 1.00 0.00 O ATOM 0 H SER A 92 14.737 4.676 -8.295 1.00 0.00 H new ATOM 0 HA SER A 92 16.391 2.332 -9.048 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.819 4.131 -7.149 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.641 3.205 -6.239 1.00 0.00 H new ATOM 0 HG SER A 92 17.813 2.425 -5.911 1.00 0.00 H new ATOM 1411 N ALA A 93 13.677 1.509 -8.977 1.00 0.00 N ATOM 1412 CA ALA A 93 12.593 0.512 -8.746 1.00 0.00 C ATOM 1413 C ALA A 93 12.475 -0.394 -9.970 1.00 0.00 C ATOM 1414 O ALA A 93 12.737 -1.579 -9.906 1.00 0.00 O ATOM 1415 CB ALA A 93 11.268 1.242 -8.524 1.00 0.00 C ATOM 0 H ALA A 93 13.645 1.983 -9.879 1.00 0.00 H new ATOM 0 HA ALA A 93 12.828 -0.088 -7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.475 0.513 -8.355 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.353 1.894 -7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.030 1.840 -9.404 1.00 0.00 H new ATOM 1421 N TYR A 94 12.087 0.154 -11.087 1.00 0.00 N ATOM 1422 CA TYR A 94 11.958 -0.676 -12.317 1.00 0.00 C ATOM 1423 C TYR A 94 13.285 -0.655 -13.078 1.00 0.00 C ATOM 1424 O TYR A 94 13.323 -0.792 -14.284 1.00 0.00 O ATOM 1425 CB TYR A 94 10.847 -0.108 -13.205 1.00 0.00 C ATOM 1426 CG TYR A 94 11.248 1.258 -13.711 1.00 0.00 C ATOM 1427 CD1 TYR A 94 11.073 2.386 -12.900 1.00 0.00 C ATOM 1428 CD2 TYR A 94 11.796 1.396 -14.992 1.00 0.00 C ATOM 1429 CE1 TYR A 94 11.443 3.651 -13.369 1.00 0.00 C ATOM 1430 CE2 TYR A 94 12.167 2.662 -15.461 1.00 0.00 C ATOM 1431 CZ TYR A 94 11.992 3.789 -14.649 1.00 0.00 C ATOM 1432 OH TYR A 94 12.359 5.037 -15.111 1.00 0.00 O ATOM 0 H TYR A 94 11.854 1.140 -11.202 1.00 0.00 H new ATOM 0 HA TYR A 94 11.709 -1.701 -12.043 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.661 -0.778 -14.045 1.00 0.00 H new ATOM 0 HB3 TYR A 94 9.917 -0.039 -12.641 1.00 0.00 H new ATOM 0 HD1 TYR A 94 10.652 2.279 -11.911 1.00 0.00 H new ATOM 0 HD2 TYR A 94 11.932 0.527 -15.618 1.00 0.00 H new ATOM 0 HE1 TYR A 94 11.305 4.521 -12.744 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.588 2.769 -16.450 1.00 0.00 H new ATOM 0 HH TYR A 94 11.618 5.665 -14.982 1.00 0.00 H new ATOM 1442 N GLN A 95 14.376 -0.484 -12.381 1.00 0.00 N ATOM 1443 CA GLN A 95 15.700 -0.454 -13.064 1.00 0.00 C ATOM 1444 C GLN A 95 15.946 -1.796 -13.755 1.00 0.00 C ATOM 1445 O GLN A 95 16.415 -1.851 -14.875 1.00 0.00 O ATOM 1446 CB GLN A 95 16.802 -0.199 -12.032 1.00 0.00 C ATOM 1447 CG GLN A 95 17.827 0.779 -12.612 1.00 0.00 C ATOM 1448 CD GLN A 95 19.025 0.885 -11.668 1.00 0.00 C ATOM 1449 OE1 GLN A 95 18.882 1.274 -10.526 1.00 0.00 O ATOM 1450 NE2 GLN A 95 20.211 0.555 -12.102 1.00 0.00 N ATOM 0 H GLN A 95 14.407 -0.364 -11.369 1.00 0.00 H new ATOM 0 HA GLN A 95 15.709 0.344 -13.807 1.00 0.00 H new ATOM 0 HB2 GLN A 95 16.371 0.209 -11.117 1.00 0.00 H new ATOM 0 HB3 GLN A 95 17.289 -1.137 -11.765 1.00 0.00 H new ATOM 0 HG2 GLN A 95 18.154 0.439 -13.594 1.00 0.00 H new ATOM 0 HG3 GLN A 95 17.372 1.760 -12.750 1.00 0.00 H new ATOM 0 HE21 GLN A 95 20.331 0.228 -13.061 1.00 0.00 H new ATOM 0 HE22 GLN A 95 21.018 0.624 -11.482 1.00 0.00 H new ATOM 1459 N GLN A 96 15.632 -2.878 -13.098 1.00 0.00 N ATOM 1460 CA GLN A 96 15.847 -4.216 -13.718 1.00 0.00 C ATOM 1461 C GLN A 96 14.622 -4.594 -14.554 1.00 0.00 C ATOM 1462 O GLN A 96 14.727 -4.892 -15.726 1.00 0.00 O ATOM 1463 CB GLN A 96 16.058 -5.261 -12.620 1.00 0.00 C ATOM 1464 CG GLN A 96 17.299 -4.897 -11.802 1.00 0.00 C ATOM 1465 CD GLN A 96 17.599 -6.017 -10.804 1.00 0.00 C ATOM 1466 OE1 GLN A 96 16.821 -6.939 -10.655 1.00 0.00 O ATOM 1467 NE2 GLN A 96 18.704 -5.978 -10.110 1.00 0.00 N ATOM 0 H GLN A 96 15.236 -2.894 -12.158 1.00 0.00 H new ATOM 0 HA GLN A 96 16.728 -4.181 -14.359 1.00 0.00 H new ATOM 0 HB2 GLN A 96 15.182 -5.306 -11.972 1.00 0.00 H new ATOM 0 HB3 GLN A 96 16.178 -6.250 -13.062 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.152 -4.747 -12.463 1.00 0.00 H new ATOM 0 HG3 GLN A 96 17.136 -3.958 -11.273 1.00 0.00 H new ATOM 0 HE21 GLN A 96 19.357 -5.205 -10.234 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.914 -6.721 -9.443 1.00 0.00 H new ATOM 1476 N GLY A 97 13.457 -4.585 -13.960 1.00 0.00 N ATOM 1477 CA GLY A 97 12.228 -4.943 -14.724 1.00 0.00 C ATOM 1478 C GLY A 97 11.072 -5.199 -13.755 1.00 0.00 C ATOM 1479 O GLY A 97 11.131 -4.837 -12.597 1.00 0.00 O ATOM 0 H GLY A 97 13.305 -4.345 -12.980 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.968 -4.137 -15.410 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.411 -5.831 -15.329 1.00 0.00 H new ATOM 1483 N ALA A 98 10.022 -5.822 -14.226 1.00 0.00 N ATOM 1484 CA ALA A 98 8.848 -6.112 -13.348 1.00 0.00 C ATOM 1485 C ALA A 98 7.959 -4.869 -13.248 1.00 0.00 C ATOM 1486 O ALA A 98 7.188 -4.717 -12.317 1.00 0.00 O ATOM 1487 CB ALA A 98 9.329 -6.513 -11.952 1.00 0.00 C ATOM 0 H ALA A 98 9.927 -6.145 -15.189 1.00 0.00 H new ATOM 0 HA ALA A 98 8.275 -6.933 -13.779 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.468 -6.723 -11.317 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.953 -7.404 -12.024 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.909 -5.698 -11.519 1.00 0.00 H new ATOM 1493 N PHE A 99 8.054 -3.983 -14.204 1.00 0.00 N ATOM 1494 CA PHE A 99 7.212 -2.754 -14.172 1.00 0.00 C ATOM 1495 C PHE A 99 6.729 -2.434 -15.589 1.00 0.00 C ATOM 1496 O PHE A 99 7.325 -2.846 -16.565 1.00 0.00 O ATOM 1497 CB PHE A 99 8.034 -1.580 -13.635 1.00 0.00 C ATOM 1498 CG PHE A 99 8.362 -1.821 -12.182 1.00 0.00 C ATOM 1499 CD1 PHE A 99 9.470 -2.601 -11.837 1.00 0.00 C ATOM 1500 CD2 PHE A 99 7.555 -1.268 -11.180 1.00 0.00 C ATOM 1501 CE1 PHE A 99 9.775 -2.829 -10.490 1.00 0.00 C ATOM 1502 CE2 PHE A 99 7.858 -1.496 -9.832 1.00 0.00 C ATOM 1503 CZ PHE A 99 8.969 -2.276 -9.487 1.00 0.00 C ATOM 0 H PHE A 99 8.680 -4.059 -15.006 1.00 0.00 H new ATOM 0 HA PHE A 99 6.353 -2.919 -13.521 1.00 0.00 H new ATOM 0 HB2 PHE A 99 8.952 -1.470 -14.213 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.475 -0.651 -13.744 1.00 0.00 H new ATOM 0 HD1 PHE A 99 10.091 -3.028 -12.611 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.699 -0.666 -11.447 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.631 -3.431 -10.224 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.235 -1.071 -9.059 1.00 0.00 H new ATOM 0 HZ PHE A 99 9.204 -2.451 -8.448 1.00 0.00 H new ATOM 1513 N ASP A 100 5.653 -1.708 -15.710 1.00 0.00 N ATOM 1514 CA ASP A 100 5.133 -1.369 -17.065 1.00 0.00 C ATOM 1515 C ASP A 100 5.238 0.138 -17.293 1.00 0.00 C ATOM 1516 O ASP A 100 5.398 0.599 -18.407 1.00 0.00 O ATOM 1517 CB ASP A 100 3.667 -1.798 -17.166 1.00 0.00 C ATOM 1518 CG ASP A 100 3.556 -3.033 -18.063 1.00 0.00 C ATOM 1519 OD1 ASP A 100 4.449 -3.863 -18.008 1.00 0.00 O ATOM 1520 OD2 ASP A 100 2.581 -3.128 -18.790 1.00 0.00 O ATOM 0 H ASP A 100 5.111 -1.335 -14.931 1.00 0.00 H new ATOM 0 HA ASP A 100 5.721 -1.890 -17.820 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.273 -2.019 -16.174 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.066 -0.985 -17.573 1.00 0.00 H new ATOM 1525 N TYR A 101 5.147 0.914 -16.248 1.00 0.00 N ATOM 1526 CA TYR A 101 5.238 2.391 -16.408 1.00 0.00 C ATOM 1527 C TYR A 101 3.971 2.905 -17.094 1.00 0.00 C ATOM 1528 O TYR A 101 3.829 2.824 -18.297 1.00 0.00 O ATOM 1529 CB TYR A 101 6.456 2.739 -17.263 1.00 0.00 C ATOM 1530 CG TYR A 101 7.350 3.683 -16.500 1.00 0.00 C ATOM 1531 CD1 TYR A 101 7.693 3.402 -15.174 1.00 0.00 C ATOM 1532 CD2 TYR A 101 7.838 4.839 -17.121 1.00 0.00 C ATOM 1533 CE1 TYR A 101 8.526 4.278 -14.466 1.00 0.00 C ATOM 1534 CE2 TYR A 101 8.669 5.715 -16.414 1.00 0.00 C ATOM 1535 CZ TYR A 101 9.014 5.435 -15.086 1.00 0.00 C ATOM 1536 OH TYR A 101 9.834 6.298 -14.389 1.00 0.00 O ATOM 0 H TYR A 101 5.014 0.588 -15.291 1.00 0.00 H new ATOM 0 HA TYR A 101 5.339 2.857 -15.428 1.00 0.00 H new ATOM 0 HB2 TYR A 101 7.003 1.833 -17.523 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.138 3.198 -18.199 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.316 2.510 -14.696 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.573 5.055 -18.146 1.00 0.00 H new ATOM 0 HE1 TYR A 101 8.792 4.061 -13.442 1.00 0.00 H new ATOM 0 HE2 TYR A 101 9.044 6.607 -16.893 1.00 0.00 H new ATOM 0 HH TYR A 101 10.267 5.816 -13.654 1.00 0.00 H new ATOM 1546 N LEU A 102 3.047 3.428 -16.337 1.00 0.00 N ATOM 1547 CA LEU A 102 1.788 3.941 -16.945 1.00 0.00 C ATOM 1548 C LEU A 102 1.756 5.468 -16.851 1.00 0.00 C ATOM 1549 O LEU A 102 1.789 6.024 -15.771 1.00 0.00 O ATOM 1550 CB LEU A 102 0.590 3.358 -16.195 1.00 0.00 C ATOM 1551 CG LEU A 102 0.190 2.026 -16.830 1.00 0.00 C ATOM 1552 CD1 LEU A 102 0.002 0.975 -15.735 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -1.121 2.206 -17.597 1.00 0.00 C ATOM 0 H LEU A 102 3.109 3.522 -15.323 1.00 0.00 H new ATOM 0 HA LEU A 102 1.743 3.644 -17.993 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.841 3.211 -15.145 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.247 4.055 -16.228 1.00 0.00 H new ATOM 0 HG LEU A 102 0.972 1.698 -17.515 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.283 0.025 -16.187 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.936 0.850 -15.187 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.781 1.300 -15.049 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -1.410 1.258 -18.051 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.902 2.532 -16.911 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.987 2.956 -18.376 1.00 0.00 H new ATOM 1565 N PRO A 103 1.689 6.097 -17.993 1.00 0.00 N ATOM 1566 CA PRO A 103 1.651 7.576 -17.997 1.00 0.00 C ATOM 1567 C PRO A 103 0.256 8.075 -18.392 1.00 0.00 C ATOM 1568 O PRO A 103 0.062 9.239 -18.680 1.00 0.00 O ATOM 1569 CB PRO A 103 2.689 7.983 -19.044 1.00 0.00 C ATOM 1570 CG PRO A 103 2.857 6.770 -19.978 1.00 0.00 C ATOM 1571 CD PRO A 103 2.367 5.543 -19.192 1.00 0.00 C ATOM 0 HA PRO A 103 1.865 8.002 -17.017 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.357 8.860 -19.600 1.00 0.00 H new ATOM 0 HB3 PRO A 103 3.636 8.245 -18.572 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.278 6.901 -20.892 1.00 0.00 H new ATOM 0 HG3 PRO A 103 3.899 6.650 -20.275 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.682 4.940 -19.789 1.00 0.00 H new ATOM 0 HD3 PRO A 103 3.199 4.897 -18.911 1.00 0.00 H new ATOM 1579 N LYS A 104 -0.713 7.204 -18.407 1.00 0.00 N ATOM 1580 CA LYS A 104 -2.094 7.623 -18.783 1.00 0.00 C ATOM 1581 C LYS A 104 -2.105 8.079 -20.253 1.00 0.00 C ATOM 1582 O LYS A 104 -1.072 8.418 -20.796 1.00 0.00 O ATOM 1583 CB LYS A 104 -2.558 8.757 -17.837 1.00 0.00 C ATOM 1584 CG LYS A 104 -2.654 10.102 -18.575 1.00 0.00 C ATOM 1585 CD LYS A 104 -3.055 11.199 -17.586 1.00 0.00 C ATOM 1586 CE LYS A 104 -2.800 12.573 -18.212 1.00 0.00 C ATOM 1587 NZ LYS A 104 -4.103 13.215 -18.550 1.00 0.00 N ATOM 0 H LYS A 104 -0.609 6.216 -18.174 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.786 6.787 -18.680 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.529 8.504 -17.412 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.860 8.846 -17.005 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.697 10.345 -19.036 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.387 10.036 -19.379 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.108 11.098 -17.322 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.484 11.097 -16.663 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.241 13.202 -17.519 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.190 12.468 -19.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -3.930 14.148 -18.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.620 12.617 -19.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.669 13.328 -17.685 1.00 0.00 H new ATOM 1601 N PRO A 105 -3.273 8.075 -20.856 1.00 0.00 N ATOM 1602 CA PRO A 105 -4.495 7.648 -20.134 1.00 0.00 C ATOM 1603 C PRO A 105 -4.530 6.124 -20.003 1.00 0.00 C ATOM 1604 O PRO A 105 -3.707 5.424 -20.560 1.00 0.00 O ATOM 1605 CB PRO A 105 -5.646 8.144 -21.009 1.00 0.00 C ATOM 1606 CG PRO A 105 -5.068 8.312 -22.427 1.00 0.00 C ATOM 1607 CD PRO A 105 -3.545 8.442 -22.266 1.00 0.00 C ATOM 0 HA PRO A 105 -4.546 8.047 -19.121 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.471 7.432 -21.007 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.040 9.089 -20.635 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.320 7.456 -23.052 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.483 9.195 -22.913 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.018 7.781 -22.954 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.211 9.457 -22.481 1.00 0.00 H new ATOM 1615 N PHE A 106 -5.470 5.604 -19.262 1.00 0.00 N ATOM 1616 CA PHE A 106 -5.546 4.125 -19.088 1.00 0.00 C ATOM 1617 C PHE A 106 -6.965 3.718 -18.698 1.00 0.00 C ATOM 1618 O PHE A 106 -7.636 4.403 -17.952 1.00 0.00 O ATOM 1619 CB PHE A 106 -4.592 3.703 -17.969 1.00 0.00 C ATOM 1620 CG PHE A 106 -5.116 4.225 -16.650 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -4.847 5.546 -16.270 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -5.873 3.395 -15.808 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -5.332 6.038 -15.053 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -6.356 3.889 -14.591 1.00 0.00 C ATOM 1625 CZ PHE A 106 -6.086 5.209 -14.213 1.00 0.00 C ATOM 0 H PHE A 106 -6.187 6.137 -18.771 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.272 3.641 -20.025 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.507 2.617 -17.937 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -3.593 4.095 -18.159 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.265 6.186 -16.917 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -6.082 2.376 -16.099 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.125 7.057 -14.762 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.938 3.251 -13.943 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.459 5.589 -13.273 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.420 2.591 -19.171 1.00 0.00 N ATOM 1636 CA ASP A 107 -8.780 2.131 -18.796 1.00 0.00 C ATOM 1637 C ASP A 107 -8.667 1.375 -17.474 1.00 0.00 C ATOM 1638 O ASP A 107 -7.582 1.167 -16.968 1.00 0.00 O ATOM 1639 CB ASP A 107 -9.325 1.205 -19.884 1.00 0.00 C ATOM 1640 CG ASP A 107 -10.852 1.159 -19.799 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -11.472 2.171 -20.086 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -11.376 0.114 -19.450 1.00 0.00 O ATOM 0 H ASP A 107 -6.908 1.972 -19.799 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.459 2.977 -18.691 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.016 1.560 -20.867 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.913 0.203 -19.763 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.759 0.967 -16.898 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.666 0.240 -15.606 1.00 0.00 C ATOM 1649 C ILE A 108 -9.365 -1.234 -15.861 1.00 0.00 C ATOM 1650 O ILE A 108 -8.469 -1.803 -15.268 1.00 0.00 O ATOM 1651 CB ILE A 108 -10.981 0.383 -14.839 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -10.758 -0.003 -13.378 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -12.043 -0.532 -15.451 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -11.170 1.158 -12.470 1.00 0.00 C ATOM 0 H ILE A 108 -10.703 1.103 -17.261 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.859 0.666 -15.010 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.322 1.417 -14.899 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.339 -0.892 -13.134 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.710 -0.252 -13.213 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.977 -0.425 -14.900 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.203 -0.257 -16.493 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.706 -1.567 -15.397 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -11.010 0.880 -11.428 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.570 2.036 -12.707 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -12.224 1.386 -12.627 1.00 0.00 H new ATOM 1666 N ASP A 109 -10.088 -1.860 -16.744 1.00 0.00 N ATOM 1667 CA ASP A 109 -9.817 -3.286 -17.032 1.00 0.00 C ATOM 1668 C ASP A 109 -8.533 -3.370 -17.839 1.00 0.00 C ATOM 1669 O ASP A 109 -7.644 -4.143 -17.540 1.00 0.00 O ATOM 1670 CB ASP A 109 -10.971 -3.853 -17.847 1.00 0.00 C ATOM 1671 CG ASP A 109 -10.858 -5.377 -17.913 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -9.754 -5.862 -18.104 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -11.876 -6.034 -17.771 1.00 0.00 O ATOM 0 H ASP A 109 -10.852 -1.444 -17.276 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.715 -3.854 -16.107 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.921 -3.569 -17.396 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.958 -3.434 -18.853 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.419 -2.560 -18.850 1.00 0.00 N ATOM 1679 CA GLU A 110 -7.182 -2.574 -19.661 1.00 0.00 C ATOM 1680 C GLU A 110 -5.995 -2.501 -18.705 1.00 0.00 C ATOM 1681 O GLU A 110 -4.985 -3.146 -18.903 1.00 0.00 O ATOM 1682 CB GLU A 110 -7.178 -1.364 -20.594 1.00 0.00 C ATOM 1683 CG GLU A 110 -5.896 -1.360 -21.426 1.00 0.00 C ATOM 1684 CD GLU A 110 -5.915 -2.543 -22.395 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -6.616 -2.459 -23.390 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -5.226 -3.513 -22.127 1.00 0.00 O ATOM 0 H GLU A 110 -9.129 -1.891 -19.147 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.123 -3.481 -20.263 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.048 -1.395 -21.249 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.249 -0.444 -20.013 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.811 -0.424 -21.979 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.026 -1.425 -20.773 1.00 0.00 H new ATOM 1693 N ALA A 111 -6.115 -1.735 -17.651 1.00 0.00 N ATOM 1694 CA ALA A 111 -5.008 -1.647 -16.681 1.00 0.00 C ATOM 1695 C ALA A 111 -4.909 -2.974 -15.930 1.00 0.00 C ATOM 1696 O ALA A 111 -3.995 -3.747 -16.137 1.00 0.00 O ATOM 1697 CB ALA A 111 -5.317 -0.519 -15.703 1.00 0.00 C ATOM 0 H ALA A 111 -6.935 -1.171 -17.429 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.063 -1.447 -17.186 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.509 -0.437 -14.976 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.411 0.420 -16.249 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.252 -0.733 -15.185 1.00 0.00 H new ATOM 1703 N VAL A 112 -5.840 -3.232 -15.045 1.00 0.00 N ATOM 1704 CA VAL A 112 -5.807 -4.495 -14.259 1.00 0.00 C ATOM 1705 C VAL A 112 -5.339 -5.658 -15.140 1.00 0.00 C ATOM 1706 O VAL A 112 -4.229 -6.135 -15.024 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.221 -4.782 -13.757 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -7.268 -6.164 -13.099 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.623 -3.719 -12.732 1.00 0.00 C ATOM 0 H VAL A 112 -6.625 -2.615 -14.835 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.115 -4.389 -13.424 1.00 0.00 H new ATOM 0 HB VAL A 112 -7.912 -4.760 -14.600 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.279 -6.363 -12.743 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.983 -6.924 -13.827 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -6.575 -6.190 -12.258 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.632 -3.923 -12.373 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.928 -3.742 -11.893 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.596 -2.735 -13.199 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.192 -6.116 -16.018 1.00 0.00 N ATOM 1720 CA ALA A 113 -5.829 -7.252 -16.916 1.00 0.00 C ATOM 1721 C ALA A 113 -4.399 -7.085 -17.434 1.00 0.00 C ATOM 1722 O ALA A 113 -3.542 -7.905 -17.175 1.00 0.00 O ATOM 1723 CB ALA A 113 -6.793 -7.282 -18.105 1.00 0.00 C ATOM 0 H ALA A 113 -7.134 -5.748 -16.153 1.00 0.00 H new ATOM 0 HA ALA A 113 -5.897 -8.183 -16.354 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.532 -8.110 -18.764 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -7.813 -7.413 -17.743 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.721 -6.344 -18.655 1.00 0.00 H new ATOM 1729 N LEU A 114 -4.149 -6.037 -18.181 1.00 0.00 N ATOM 1730 CA LEU A 114 -2.789 -5.798 -18.746 1.00 0.00 C ATOM 1731 C LEU A 114 -1.727 -6.308 -17.781 1.00 0.00 C ATOM 1732 O LEU A 114 -0.887 -7.114 -18.131 1.00 0.00 O ATOM 1733 CB LEU A 114 -2.615 -4.293 -18.954 1.00 0.00 C ATOM 1734 CG LEU A 114 -1.157 -3.958 -19.302 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -0.323 -3.897 -18.022 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.583 -5.026 -20.239 1.00 0.00 C ATOM 0 H LEU A 114 -4.841 -5.329 -18.425 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.680 -6.327 -19.693 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.272 -3.953 -19.754 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.910 -3.759 -18.051 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.125 -2.990 -19.802 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.711 -3.659 -18.272 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.723 -3.126 -17.363 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.361 -4.862 -17.517 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.451 -4.780 -20.481 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.620 -5.999 -19.748 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.171 -5.060 -21.156 1.00 0.00 H new ATOM 1748 N VAL A 115 -1.767 -5.858 -16.564 1.00 0.00 N ATOM 1749 CA VAL A 115 -0.778 -6.324 -15.573 1.00 0.00 C ATOM 1750 C VAL A 115 -0.904 -7.840 -15.418 1.00 0.00 C ATOM 1751 O VAL A 115 0.051 -8.566 -15.564 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.069 -5.656 -14.232 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -0.064 -6.146 -13.202 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -0.953 -4.138 -14.374 1.00 0.00 C ATOM 0 H VAL A 115 -2.448 -5.183 -16.215 1.00 0.00 H new ATOM 0 HA VAL A 115 0.229 -6.070 -15.902 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.080 -5.910 -13.912 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.267 -5.672 -12.242 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -0.148 -7.228 -13.098 1.00 0.00 H new ATOM 0 HG13 VAL A 115 0.944 -5.890 -13.527 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.162 -3.666 -13.414 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.056 -3.879 -14.694 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.671 -3.786 -15.115 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.085 -8.306 -15.098 1.00 0.00 N ATOM 1765 CA GLU A 116 -2.310 -9.772 -14.892 1.00 0.00 C ATOM 1766 C GLU A 116 -1.433 -10.613 -15.836 1.00 0.00 C ATOM 1767 O GLU A 116 -0.846 -11.597 -15.432 1.00 0.00 O ATOM 1768 CB GLU A 116 -3.805 -10.086 -15.115 1.00 0.00 C ATOM 1769 CG GLU A 116 -4.053 -10.651 -16.521 1.00 0.00 C ATOM 1770 CD GLU A 116 -5.559 -10.787 -16.757 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -6.314 -10.331 -15.916 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -5.931 -11.349 -17.776 1.00 0.00 O ATOM 0 H GLU A 116 -2.914 -7.726 -14.969 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.027 -10.033 -13.872 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.143 -10.804 -14.368 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.394 -9.179 -14.976 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.614 -9.993 -17.272 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.568 -11.622 -16.625 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.359 -10.252 -17.089 1.00 0.00 N ATOM 1780 CA ARG A 117 -0.541 -11.059 -18.042 1.00 0.00 C ATOM 1781 C ARG A 117 0.919 -11.097 -17.582 1.00 0.00 C ATOM 1782 O ARG A 117 1.524 -12.149 -17.522 1.00 0.00 O ATOM 1783 CB ARG A 117 -0.691 -10.483 -19.470 1.00 0.00 C ATOM 1784 CG ARG A 117 0.494 -9.586 -19.864 1.00 0.00 C ATOM 1785 CD ARG A 117 1.671 -10.445 -20.340 1.00 0.00 C ATOM 1786 NE ARG A 117 1.168 -11.551 -21.202 1.00 0.00 N ATOM 1787 CZ ARG A 117 1.024 -11.362 -22.485 1.00 0.00 C ATOM 1788 NH1 ARG A 117 2.065 -11.082 -23.224 1.00 0.00 N ATOM 1789 NH2 ARG A 117 -0.158 -11.454 -23.030 1.00 0.00 N ATOM 0 H ARG A 117 -1.826 -9.440 -17.492 1.00 0.00 H new ATOM 0 HA ARG A 117 -0.899 -12.088 -18.060 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.776 -11.303 -20.183 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -1.615 -9.909 -19.533 1.00 0.00 H new ATOM 0 HG2 ARG A 117 0.193 -8.899 -20.654 1.00 0.00 H new ATOM 0 HG3 ARG A 117 0.799 -8.978 -19.012 1.00 0.00 H new ATOM 0 HD2 ARG A 117 2.380 -9.832 -20.896 1.00 0.00 H new ATOM 0 HD3 ARG A 117 2.206 -10.853 -19.483 1.00 0.00 H new ATOM 0 HE ARG A 117 0.936 -12.455 -20.790 1.00 0.00 H new ATOM 0 HH11 ARG A 117 2.989 -11.011 -22.798 1.00 0.00 H new ATOM 0 HH12 ARG A 117 1.953 -10.934 -24.227 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -0.970 -11.674 -22.453 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -0.270 -11.306 -24.033 1.00 0.00 H new ATOM 1803 N ALA A 118 1.490 -9.981 -17.235 1.00 0.00 N ATOM 1804 CA ALA A 118 2.897 -10.003 -16.762 1.00 0.00 C ATOM 1805 C ALA A 118 2.948 -10.822 -15.476 1.00 0.00 C ATOM 1806 O ALA A 118 3.697 -11.773 -15.360 1.00 0.00 O ATOM 1807 CB ALA A 118 3.364 -8.574 -16.480 1.00 0.00 C ATOM 0 H ALA A 118 1.048 -9.062 -17.258 1.00 0.00 H new ATOM 0 HA ALA A 118 3.547 -10.443 -17.518 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.397 -8.591 -16.133 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.298 -7.983 -17.393 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.730 -8.129 -15.713 1.00 0.00 H new ATOM 1813 N ILE A 119 2.151 -10.446 -14.508 1.00 0.00 N ATOM 1814 CA ILE A 119 2.122 -11.170 -13.212 1.00 0.00 C ATOM 1815 C ILE A 119 2.310 -12.665 -13.451 1.00 0.00 C ATOM 1816 O ILE A 119 2.902 -13.353 -12.645 1.00 0.00 O ATOM 1817 CB ILE A 119 0.762 -10.951 -12.564 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.363 -9.478 -12.690 1.00 0.00 C ATOM 1819 CG2 ILE A 119 0.837 -11.341 -11.083 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.779 -9.152 -11.722 1.00 0.00 C ATOM 0 H ILE A 119 1.511 -9.654 -14.567 1.00 0.00 H new ATOM 0 HA ILE A 119 2.921 -10.799 -12.570 1.00 0.00 H new ATOM 0 HB ILE A 119 0.016 -11.568 -13.065 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.222 -8.842 -12.477 1.00 0.00 H new ATOM 0 HG13 ILE A 119 0.054 -9.264 -13.713 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.136 -11.185 -10.616 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.117 -12.391 -10.997 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.583 -10.724 -10.582 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -1.052 -8.102 -11.822 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.642 -9.775 -11.955 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.456 -9.347 -10.699 1.00 0.00 H new ATOM 1832 N SER A 120 1.782 -13.156 -14.554 1.00 0.00 N ATOM 1833 CA SER A 120 1.890 -14.615 -14.902 1.00 0.00 C ATOM 1834 C SER A 120 3.084 -15.261 -14.191 1.00 0.00 C ATOM 1835 O SER A 120 2.958 -16.330 -13.634 1.00 0.00 O ATOM 1836 CB SER A 120 2.071 -14.758 -16.413 1.00 0.00 C ATOM 1837 OG SER A 120 3.030 -13.809 -16.863 1.00 0.00 O ATOM 0 H SER A 120 1.273 -12.597 -15.238 1.00 0.00 H new ATOM 0 HA SER A 120 0.978 -15.117 -14.578 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.399 -15.768 -16.658 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.120 -14.600 -16.921 1.00 0.00 H new ATOM 0 HG SER A 120 2.602 -13.179 -17.480 1.00 0.00 H new ATOM 1843 N HIS A 121 4.223 -14.599 -14.215 1.00 0.00 N ATOM 1844 CA HIS A 121 5.473 -15.115 -13.553 1.00 0.00 C ATOM 1845 C HIS A 121 6.543 -15.339 -14.618 1.00 0.00 C ATOM 1846 O HIS A 121 7.000 -16.447 -14.815 1.00 0.00 O ATOM 1847 CB HIS A 121 5.227 -16.433 -12.810 1.00 0.00 C ATOM 1848 CG HIS A 121 6.516 -16.921 -12.208 1.00 0.00 C ATOM 1849 ND1 HIS A 121 7.498 -16.276 -11.496 1.00 0.00 N flip ATOM 1850 CD2 HIS A 121 6.926 -18.241 -12.307 1.00 0.00 C flip ATOM 1851 CE1 HIS A 121 8.501 -17.179 -11.158 1.00 0.00 C flip ATOM 1852 NE2 HIS A 121 8.106 -18.348 -11.671 1.00 0.00 N flip ATOM 0 H HIS A 121 4.341 -13.698 -14.679 1.00 0.00 H new ATOM 0 HA HIS A 121 5.797 -14.373 -12.823 1.00 0.00 H new ATOM 0 HB2 HIS A 121 4.481 -16.288 -12.029 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.829 -17.180 -13.496 1.00 0.00 H new ATOM 0 HD1 HIS A 121 7.493 -15.286 -11.252 1.00 0.00 H new ATOM 0 HD2 HIS A 121 6.394 -19.039 -12.804 1.00 0.00 H new ATOM 0 HE1 HIS A 121 9.404 -16.978 -10.601 1.00 0.00 H new ATOM 1860 N TYR A 122 6.953 -14.288 -15.285 1.00 0.00 N ATOM 1861 CA TYR A 122 8.002 -14.397 -16.332 1.00 0.00 C ATOM 1862 C TYR A 122 7.910 -15.759 -17.023 1.00 0.00 C ATOM 1863 O TYR A 122 8.906 -16.384 -17.328 1.00 0.00 O ATOM 1864 CB TYR A 122 9.368 -14.222 -15.676 1.00 0.00 C ATOM 1865 CG TYR A 122 9.230 -13.419 -14.399 1.00 0.00 C ATOM 1866 CD1 TYR A 122 9.286 -12.021 -14.439 1.00 0.00 C ATOM 1867 CD2 TYR A 122 9.038 -14.077 -13.178 1.00 0.00 C ATOM 1868 CE1 TYR A 122 9.151 -11.281 -13.259 1.00 0.00 C ATOM 1869 CE2 TYR A 122 8.902 -13.337 -11.997 1.00 0.00 C ATOM 1870 CZ TYR A 122 8.959 -11.938 -12.038 1.00 0.00 C ATOM 1871 OH TYR A 122 8.824 -11.209 -10.874 1.00 0.00 O ATOM 0 H TYR A 122 6.595 -13.344 -15.141 1.00 0.00 H new ATOM 0 HA TYR A 122 7.859 -13.622 -17.085 1.00 0.00 H new ATOM 0 HB2 TYR A 122 9.803 -15.197 -15.457 1.00 0.00 H new ATOM 0 HB3 TYR A 122 10.048 -13.716 -16.362 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.433 -11.513 -15.381 1.00 0.00 H new ATOM 0 HD2 TYR A 122 8.995 -15.156 -13.147 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.195 -10.202 -13.290 1.00 0.00 H new ATOM 0 HE2 TYR A 122 8.753 -13.844 -11.055 1.00 0.00 H new ATOM 0 HH TYR A 122 8.697 -11.820 -10.118 1.00 0.00 H new ATOM 1881 N GLN A 123 6.712 -16.222 -17.258 1.00 0.00 N ATOM 1882 CA GLN A 123 6.525 -17.544 -17.917 1.00 0.00 C ATOM 1883 C GLN A 123 7.550 -17.726 -19.038 1.00 0.00 C ATOM 1884 O GLN A 123 7.975 -18.826 -19.330 1.00 0.00 O ATOM 1885 CB GLN A 123 5.114 -17.620 -18.495 1.00 0.00 C ATOM 1886 CG GLN A 123 4.529 -18.999 -18.198 1.00 0.00 C ATOM 1887 CD GLN A 123 4.698 -19.900 -19.423 1.00 0.00 C ATOM 1888 OE1 GLN A 123 5.731 -20.515 -19.601 1.00 0.00 O ATOM 1889 NE2 GLN A 123 3.720 -20.004 -20.282 1.00 0.00 N ATOM 0 H GLN A 123 5.848 -15.735 -17.019 1.00 0.00 H new ATOM 0 HA GLN A 123 6.667 -18.335 -17.181 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.486 -16.843 -18.059 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.138 -17.445 -19.571 1.00 0.00 H new ATOM 0 HG2 GLN A 123 5.030 -19.441 -17.337 1.00 0.00 H new ATOM 0 HG3 GLN A 123 3.473 -18.910 -17.941 1.00 0.00 H new ATOM 0 HE21 GLN A 123 2.853 -19.488 -20.133 1.00 0.00 H new ATOM 0 HE22 GLN A 123 3.823 -20.601 -21.102 1.00 0.00 H new ATOM 1898 N GLU A 124 7.955 -16.659 -19.668 1.00 0.00 N ATOM 1899 CA GLU A 124 8.953 -16.785 -20.768 1.00 0.00 C ATOM 1900 C GLU A 124 10.363 -16.611 -20.202 1.00 0.00 C ATOM 1901 O GLU A 124 11.290 -17.123 -20.807 1.00 0.00 O ATOM 1902 CB GLU A 124 8.689 -15.713 -21.829 1.00 0.00 C ATOM 1903 CG GLU A 124 8.954 -14.326 -21.239 1.00 0.00 C ATOM 1904 CD GLU A 124 7.628 -13.687 -20.824 1.00 0.00 C ATOM 1905 OE1 GLU A 124 6.734 -13.634 -21.652 1.00 0.00 O ATOM 1906 OE2 GLU A 124 7.528 -13.265 -19.684 1.00 0.00 O ATOM 1907 OXT GLU A 124 10.492 -15.969 -19.172 1.00 0.00 O ATOM 0 H GLU A 124 7.640 -15.709 -19.471 1.00 0.00 H new ATOM 0 HA GLU A 124 8.865 -17.771 -21.224 1.00 0.00 H new ATOM 0 HB2 GLU A 124 9.330 -15.879 -22.695 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.659 -15.779 -22.178 1.00 0.00 H new ATOM 0 HG2 GLU A 124 9.617 -14.406 -20.377 1.00 0.00 H new ATOM 0 HG3 GLU A 124 9.459 -13.697 -21.972 1.00 0.00 H new TER 1914 GLU A 124