USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 711 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 17 GLN : amide:sc=-0.00513 X(o=-0.0051,f=0) USER MOD Set 1.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.0634 (180deg=0) USER MOD Single : A 2 SER OG : rot 56:sc= 0.984 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00133 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 39:sc= 0.274 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.117 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= 0.0376 (180deg=0.00431) USER MOD Single : A 35 GLN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -73:sc= 0.883 USER MOD Single : A 48 GLN : amide:sc= -2.32 X(o=-2.3,f=-2.5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.731 K(o=-0.73,f=-1.6) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -2.23! C(o=-2.9!,f=-2.2!) USER MOD Single : A 75 THR OG1 : rot -160:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 130:sc= -0.0027 (180deg=-1.24) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -143:sc= -0.135 (180deg=-1.53) USER MOD Single : A 80 MET CE :methyl -147:sc= -0.0863 (180deg=-0.999) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.086 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.836 12.013 2.385 1.00 0.00 N ATOM 2 CA GLY A 1 22.470 11.966 1.894 1.00 0.00 C ATOM 3 C GLY A 1 21.849 13.365 1.866 1.00 0.00 C ATOM 4 O GLY A 1 22.305 14.264 2.571 1.00 0.00 O ATOM 0 H1 GLY A 1 24.004 11.208 3.022 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.495 11.963 1.582 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.988 12.902 2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.454 11.537 0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.873 11.312 2.530 1.00 0.00 H new ATOM 8 N SER A 2 20.819 13.504 1.045 1.00 0.00 N ATOM 9 CA SER A 2 20.132 14.778 0.917 1.00 0.00 C ATOM 10 C SER A 2 18.998 14.660 -0.104 1.00 0.00 C ATOM 11 O SER A 2 19.096 13.893 -1.060 1.00 0.00 O ATOM 12 CB SER A 2 21.101 15.888 0.507 1.00 0.00 C ATOM 13 OG SER A 2 21.542 16.652 1.626 1.00 0.00 O ATOM 0 H SER A 2 20.443 12.756 0.462 1.00 0.00 H new ATOM 0 HA SER A 2 19.713 15.040 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.963 15.449 0.005 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.614 16.547 -0.212 1.00 0.00 H new ATOM 0 HG SER A 2 21.939 16.055 2.294 1.00 0.00 H new ATOM 19 N SER A 3 17.947 15.432 0.135 1.00 0.00 N ATOM 20 CA SER A 3 16.796 15.423 -0.752 1.00 0.00 C ATOM 21 C SER A 3 16.194 14.018 -0.814 1.00 0.00 C ATOM 22 O SER A 3 16.852 13.041 -0.463 1.00 0.00 O ATOM 23 CB SER A 3 17.178 15.900 -2.155 1.00 0.00 C ATOM 24 OG SER A 3 17.533 17.280 -2.172 1.00 0.00 O ATOM 0 H SER A 3 17.869 16.067 0.929 1.00 0.00 H new ATOM 0 HA SER A 3 16.052 16.113 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.014 15.306 -2.525 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.343 15.732 -2.835 1.00 0.00 H new ATOM 0 HG SER A 3 17.772 17.545 -3.085 1.00 0.00 H new ATOM 30 N GLY A 4 14.949 13.962 -1.263 1.00 0.00 N ATOM 31 CA GLY A 4 14.250 12.693 -1.376 1.00 0.00 C ATOM 32 C GLY A 4 14.442 12.083 -2.766 1.00 0.00 C ATOM 33 O GLY A 4 15.547 11.678 -3.123 1.00 0.00 O ATOM 0 H GLY A 4 14.406 14.775 -1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.618 12.002 -0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.187 12.841 -1.183 1.00 0.00 H new ATOM 37 N SER A 5 13.348 12.038 -3.513 1.00 0.00 N ATOM 38 CA SER A 5 13.382 11.484 -4.856 1.00 0.00 C ATOM 39 C SER A 5 12.050 11.742 -5.562 1.00 0.00 C ATOM 40 O SER A 5 11.098 12.219 -4.945 1.00 0.00 O ATOM 41 CB SER A 5 13.686 9.985 -4.826 1.00 0.00 C ATOM 42 OG SER A 5 14.124 9.504 -6.094 1.00 0.00 O ATOM 0 H SER A 5 12.433 12.376 -3.214 1.00 0.00 H new ATOM 0 HA SER A 5 14.181 11.978 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.453 9.785 -4.078 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.793 9.440 -4.520 1.00 0.00 H new ATOM 0 HG SER A 5 14.310 8.544 -6.033 1.00 0.00 H new ATOM 48 N SER A 6 12.024 11.415 -6.846 1.00 0.00 N ATOM 49 CA SER A 6 10.823 11.605 -7.642 1.00 0.00 C ATOM 50 C SER A 6 9.693 10.727 -7.102 1.00 0.00 C ATOM 51 O SER A 6 8.633 11.230 -6.732 1.00 0.00 O ATOM 52 CB SER A 6 11.084 11.287 -9.116 1.00 0.00 C ATOM 53 OG SER A 6 11.408 12.456 -9.864 1.00 0.00 O ATOM 0 H SER A 6 12.815 11.020 -7.355 1.00 0.00 H new ATOM 0 HA SER A 6 10.527 12.652 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.901 10.569 -9.193 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.202 10.814 -9.547 1.00 0.00 H new ATOM 0 HG SER A 6 11.569 12.212 -10.799 1.00 0.00 H new ATOM 59 N GLY A 7 9.956 9.428 -7.075 1.00 0.00 N ATOM 60 CA GLY A 7 8.974 8.475 -6.586 1.00 0.00 C ATOM 61 C GLY A 7 8.735 8.654 -5.086 1.00 0.00 C ATOM 62 O GLY A 7 9.598 9.164 -4.373 1.00 0.00 O ATOM 0 H GLY A 7 10.835 9.013 -7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.036 8.605 -7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.317 7.460 -6.784 1.00 0.00 H new ATOM 66 N LEU A 8 7.560 8.224 -4.650 1.00 0.00 N ATOM 67 CA LEU A 8 7.197 8.331 -3.247 1.00 0.00 C ATOM 68 C LEU A 8 7.548 7.023 -2.534 1.00 0.00 C ATOM 69 O LEU A 8 7.095 5.952 -2.936 1.00 0.00 O ATOM 70 CB LEU A 8 5.729 8.736 -3.103 1.00 0.00 C ATOM 71 CG LEU A 8 5.406 9.685 -1.947 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.677 11.139 -2.339 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.971 9.481 -1.455 1.00 0.00 C ATOM 0 H LEU A 8 6.847 7.801 -5.244 1.00 0.00 H new ATOM 0 HA LEU A 8 7.770 9.122 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.409 9.206 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.133 7.831 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 8 6.068 9.448 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.439 11.792 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.728 11.255 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.057 11.407 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.767 10.168 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.275 9.675 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.847 8.455 -1.109 1.00 0.00 H new ATOM 85 N PRO A 9 8.371 7.157 -1.460 1.00 0.00 N ATOM 86 CA PRO A 9 8.787 5.999 -0.687 1.00 0.00 C ATOM 87 C PRO A 9 7.650 5.498 0.204 1.00 0.00 C ATOM 88 O PRO A 9 7.220 6.197 1.121 1.00 0.00 O ATOM 89 CB PRO A 9 9.999 6.468 0.102 1.00 0.00 C ATOM 90 CG PRO A 9 9.936 7.987 0.099 1.00 0.00 C ATOM 91 CD PRO A 9 8.927 8.409 -0.956 1.00 0.00 C ATOM 0 HA PRO A 9 9.043 5.144 -1.313 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.977 6.078 1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.923 6.115 -0.355 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.641 8.359 1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.917 8.409 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.150 9.044 -0.529 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.403 8.980 -1.753 1.00 0.00 H new ATOM 99 N ILE A 10 7.194 4.290 -0.095 1.00 0.00 N ATOM 100 CA ILE A 10 6.115 3.687 0.668 1.00 0.00 C ATOM 101 C ILE A 10 6.480 2.240 1.004 1.00 0.00 C ATOM 102 O ILE A 10 6.495 1.379 0.125 1.00 0.00 O ATOM 103 CB ILE A 10 4.787 3.828 -0.079 1.00 0.00 C ATOM 104 CG1 ILE A 10 4.338 5.290 -0.128 1.00 0.00 C ATOM 105 CG2 ILE A 10 3.716 2.921 0.530 1.00 0.00 C ATOM 106 CD1 ILE A 10 3.214 5.485 -1.147 1.00 0.00 C ATOM 0 H ILE A 10 7.553 3.713 -0.856 1.00 0.00 H new ATOM 0 HA ILE A 10 5.980 4.210 1.615 1.00 0.00 H new ATOM 0 HB ILE A 10 4.938 3.502 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.997 5.603 0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.184 5.925 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.782 3.041 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.042 1.883 0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.560 3.193 1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.914 6.533 -1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.566 5.195 -2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.360 4.867 -0.870 1.00 0.00 H new ATOM 118 N ILE A 11 6.766 2.016 2.278 1.00 0.00 N ATOM 119 CA ILE A 11 7.131 0.688 2.741 1.00 0.00 C ATOM 120 C ILE A 11 5.860 -0.107 3.049 1.00 0.00 C ATOM 121 O ILE A 11 4.909 0.431 3.614 1.00 0.00 O ATOM 122 CB ILE A 11 8.100 0.779 3.921 1.00 0.00 C ATOM 123 CG1 ILE A 11 9.409 1.453 3.504 1.00 0.00 C ATOM 124 CG2 ILE A 11 8.338 -0.598 4.544 1.00 0.00 C ATOM 125 CD1 ILE A 11 10.134 2.040 4.717 1.00 0.00 C ATOM 0 H ILE A 11 6.752 2.732 3.004 1.00 0.00 H new ATOM 0 HA ILE A 11 7.666 0.146 1.961 1.00 0.00 H new ATOM 0 HB ILE A 11 7.645 1.405 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.053 0.728 3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.202 2.243 2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.031 -0.504 5.380 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.392 -1.005 4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.762 -1.268 3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.061 2.513 4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.497 2.782 5.198 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.361 1.243 5.425 1.00 0.00 H new ATOM 137 N VAL A 12 5.885 -1.374 2.664 1.00 0.00 N ATOM 138 CA VAL A 12 4.747 -2.248 2.892 1.00 0.00 C ATOM 139 C VAL A 12 5.200 -3.469 3.696 1.00 0.00 C ATOM 140 O VAL A 12 6.360 -3.872 3.619 1.00 0.00 O ATOM 141 CB VAL A 12 4.096 -2.619 1.558 1.00 0.00 C ATOM 142 CG1 VAL A 12 2.667 -3.123 1.767 1.00 0.00 C ATOM 143 CG2 VAL A 12 4.125 -1.437 0.587 1.00 0.00 C ATOM 0 H VAL A 12 6.676 -1.817 2.195 1.00 0.00 H new ATOM 0 HA VAL A 12 3.984 -1.736 3.479 1.00 0.00 H new ATOM 0 HB VAL A 12 4.675 -3.430 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.227 -3.380 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.682 -4.006 2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.072 -2.343 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.656 -1.727 -0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.581 -0.597 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.158 -1.143 0.402 1.00 0.00 H new ATOM 153 N LYS A 13 4.261 -4.023 4.449 1.00 0.00 N ATOM 154 CA LYS A 13 4.549 -5.190 5.266 1.00 0.00 C ATOM 155 C LYS A 13 3.524 -6.285 4.963 1.00 0.00 C ATOM 156 O LYS A 13 2.328 -6.013 4.873 1.00 0.00 O ATOM 157 CB LYS A 13 4.618 -4.804 6.745 1.00 0.00 C ATOM 158 CG LYS A 13 5.932 -4.089 7.064 1.00 0.00 C ATOM 159 CD LYS A 13 6.219 -4.114 8.567 1.00 0.00 C ATOM 160 CE LYS A 13 6.653 -5.509 9.019 1.00 0.00 C ATOM 161 NZ LYS A 13 5.856 -5.947 10.187 1.00 0.00 N ATOM 0 H LYS A 13 3.300 -3.686 4.511 1.00 0.00 H new ATOM 0 HA LYS A 13 5.531 -5.595 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.778 -4.157 6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.527 -5.698 7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.750 -4.567 6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.882 -3.057 6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.000 -3.392 8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.328 -3.811 9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.529 -6.218 8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.712 -5.501 9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.164 -6.896 10.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.995 -5.279 10.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.849 -5.974 9.930 1.00 0.00 H new ATOM 175 N TRP A 14 4.030 -7.500 4.814 1.00 0.00 N ATOM 176 CA TRP A 14 3.174 -8.637 4.524 1.00 0.00 C ATOM 177 C TRP A 14 3.670 -9.826 5.349 1.00 0.00 C ATOM 178 O TRP A 14 4.691 -10.430 5.023 1.00 0.00 O ATOM 179 CB TRP A 14 3.137 -8.926 3.022 1.00 0.00 C ATOM 180 CG TRP A 14 2.047 -9.915 2.605 1.00 0.00 C ATOM 181 CD1 TRP A 14 0.854 -10.118 3.179 1.00 0.00 C ATOM 182 CD2 TRP A 14 2.100 -10.834 1.493 1.00 0.00 C ATOM 183 NE1 TRP A 14 0.136 -11.097 2.522 1.00 0.00 N ATOM 184 CE2 TRP A 14 0.918 -11.546 1.464 1.00 0.00 C ATOM 185 CE3 TRP A 14 3.112 -11.057 0.543 1.00 0.00 C ATOM 186 CZ2 TRP A 14 0.637 -12.527 0.505 1.00 0.00 C ATOM 187 CZ3 TRP A 14 2.816 -12.041 -0.408 1.00 0.00 C ATOM 188 CH2 TRP A 14 1.631 -12.766 -0.451 1.00 0.00 C ATOM 0 H TRP A 14 5.023 -7.722 4.889 1.00 0.00 H new ATOM 0 HA TRP A 14 2.143 -8.424 4.806 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.987 -7.989 2.486 1.00 0.00 H new ATOM 0 HB3 TRP A 14 4.106 -9.318 2.714 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.498 -9.583 4.047 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -0.796 -11.430 2.768 1.00 0.00 H new ATOM 0 HE3 TRP A 14 4.044 -10.512 0.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -0.297 -13.070 0.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.561 -12.251 -1.161 1.00 0.00 H new ATOM 0 HH2 TRP A 14 1.478 -13.510 -1.218 1.00 0.00 H new ATOM 199 N GLY A 15 2.925 -10.127 6.402 1.00 0.00 N ATOM 200 CA GLY A 15 3.276 -11.232 7.277 1.00 0.00 C ATOM 201 C GLY A 15 4.676 -11.043 7.865 1.00 0.00 C ATOM 202 O GLY A 15 4.826 -10.488 8.952 1.00 0.00 O ATOM 0 H GLY A 15 2.079 -9.624 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.546 -11.308 8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.235 -12.168 6.721 1.00 0.00 H new ATOM 206 N GLY A 16 5.664 -11.515 7.120 1.00 0.00 N ATOM 207 CA GLY A 16 7.047 -11.405 7.554 1.00 0.00 C ATOM 208 C GLY A 16 7.944 -10.929 6.410 1.00 0.00 C ATOM 209 O GLY A 16 9.138 -11.226 6.387 1.00 0.00 O ATOM 0 H GLY A 16 5.535 -11.975 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.116 -10.708 8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.396 -12.372 7.917 1.00 0.00 H new ATOM 213 N GLN A 17 7.335 -10.199 5.487 1.00 0.00 N ATOM 214 CA GLN A 17 8.064 -9.679 4.343 1.00 0.00 C ATOM 215 C GLN A 17 7.811 -8.177 4.190 1.00 0.00 C ATOM 216 O GLN A 17 6.665 -7.731 4.215 1.00 0.00 O ATOM 217 CB GLN A 17 7.687 -10.431 3.065 1.00 0.00 C ATOM 218 CG GLN A 17 8.610 -11.631 2.843 1.00 0.00 C ATOM 219 CD GLN A 17 7.820 -12.847 2.355 1.00 0.00 C ATOM 220 OE1 GLN A 17 7.275 -12.869 1.264 1.00 0.00 O ATOM 221 NE2 GLN A 17 7.789 -13.855 3.222 1.00 0.00 N ATOM 0 H GLN A 17 6.345 -9.955 5.508 1.00 0.00 H new ATOM 0 HA GLN A 17 9.129 -9.833 4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.653 -10.770 3.130 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.749 -9.757 2.211 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.377 -11.374 2.113 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.124 -11.876 3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.267 -13.771 4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.287 -14.712 2.990 1.00 0.00 H new ATOM 230 N GLU A 18 8.901 -7.439 4.035 1.00 0.00 N ATOM 231 CA GLU A 18 8.812 -5.997 3.878 1.00 0.00 C ATOM 232 C GLU A 18 9.102 -5.602 2.429 1.00 0.00 C ATOM 233 O GLU A 18 9.913 -6.239 1.759 1.00 0.00 O ATOM 234 CB GLU A 18 9.759 -5.281 4.842 1.00 0.00 C ATOM 235 CG GLU A 18 9.454 -5.660 6.293 1.00 0.00 C ATOM 236 CD GLU A 18 10.725 -5.634 7.145 1.00 0.00 C ATOM 237 OE1 GLU A 18 11.494 -6.615 7.046 1.00 0.00 O ATOM 238 OE2 GLU A 18 10.898 -4.635 7.875 1.00 0.00 O ATOM 0 H GLU A 18 9.850 -7.813 4.015 1.00 0.00 H new ATOM 0 HA GLU A 18 7.796 -5.687 4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.791 -5.540 4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.664 -4.202 4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.720 -4.968 6.707 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.009 -6.655 6.327 1.00 0.00 H new ATOM 245 N TYR A 19 8.424 -4.553 1.988 1.00 0.00 N ATOM 246 CA TYR A 19 8.599 -4.065 0.630 1.00 0.00 C ATOM 247 C TYR A 19 8.794 -2.548 0.614 1.00 0.00 C ATOM 248 O TYR A 19 8.296 -1.845 1.491 1.00 0.00 O ATOM 249 CB TYR A 19 7.306 -4.409 -0.112 1.00 0.00 C ATOM 250 CG TYR A 19 7.015 -5.909 -0.192 1.00 0.00 C ATOM 251 CD1 TYR A 19 6.551 -6.582 0.920 1.00 0.00 C ATOM 252 CD2 TYR A 19 7.215 -6.589 -1.376 1.00 0.00 C ATOM 253 CE1 TYR A 19 6.277 -7.994 0.845 1.00 0.00 C ATOM 254 CE2 TYR A 19 6.941 -8.000 -1.451 1.00 0.00 C ATOM 255 CZ TYR A 19 6.485 -8.633 -0.337 1.00 0.00 C ATOM 256 OH TYR A 19 6.226 -9.967 -0.408 1.00 0.00 O ATOM 0 H TYR A 19 7.752 -4.027 2.547 1.00 0.00 H new ATOM 0 HA TYR A 19 9.478 -4.517 0.170 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.472 -3.913 0.384 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.361 -4.005 -1.123 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.393 -6.050 1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.577 -6.062 -2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.915 -8.533 1.708 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.094 -8.544 -2.371 1.00 0.00 H new ATOM 0 HH TYR A 19 6.419 -10.290 -1.313 1.00 0.00 H new ATOM 266 N SER A 20 9.521 -2.088 -0.394 1.00 0.00 N ATOM 267 CA SER A 20 9.788 -0.667 -0.537 1.00 0.00 C ATOM 268 C SER A 20 9.248 -0.165 -1.878 1.00 0.00 C ATOM 269 O SER A 20 9.702 -0.599 -2.935 1.00 0.00 O ATOM 270 CB SER A 20 11.285 -0.374 -0.424 1.00 0.00 C ATOM 271 OG SER A 20 12.053 -1.160 -1.332 1.00 0.00 O ATOM 0 H SER A 20 9.933 -2.675 -1.120 1.00 0.00 H new ATOM 0 HA SER A 20 9.280 -0.141 0.271 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.463 0.683 -0.619 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.617 -0.570 0.596 1.00 0.00 H new ATOM 0 HG SER A 20 11.577 -1.232 -2.186 1.00 0.00 H new ATOM 277 N VAL A 21 8.288 0.744 -1.790 1.00 0.00 N ATOM 278 CA VAL A 21 7.682 1.310 -2.983 1.00 0.00 C ATOM 279 C VAL A 21 8.327 2.664 -3.284 1.00 0.00 C ATOM 280 O VAL A 21 8.135 3.626 -2.541 1.00 0.00 O ATOM 281 CB VAL A 21 6.164 1.396 -2.809 1.00 0.00 C ATOM 282 CG1 VAL A 21 5.515 2.102 -4.001 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.557 0.008 -2.596 1.00 0.00 C ATOM 0 H VAL A 21 7.915 1.102 -0.911 1.00 0.00 H new ATOM 0 HA VAL A 21 7.861 0.666 -3.844 1.00 0.00 H new ATOM 0 HB VAL A 21 5.962 1.990 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.436 2.150 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.915 3.112 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.731 1.547 -4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.477 0.098 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.774 -0.621 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.986 -0.443 -1.701 1.00 0.00 H new ATOM 293 N THR A 22 9.078 2.697 -4.375 1.00 0.00 N ATOM 294 CA THR A 22 9.753 3.917 -4.783 1.00 0.00 C ATOM 295 C THR A 22 9.717 4.063 -6.306 1.00 0.00 C ATOM 296 O THR A 22 10.661 4.573 -6.906 1.00 0.00 O ATOM 297 CB THR A 22 11.170 3.889 -4.208 1.00 0.00 C ATOM 298 OG1 THR A 22 11.723 2.674 -4.706 1.00 0.00 O ATOM 299 CG2 THR A 22 11.183 3.709 -2.689 1.00 0.00 C ATOM 0 H THR A 22 9.234 1.898 -4.989 1.00 0.00 H new ATOM 0 HA THR A 22 9.246 4.799 -4.392 1.00 0.00 H new ATOM 0 HB THR A 22 11.685 4.814 -4.468 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.643 2.576 -4.382 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.213 3.696 -2.333 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.647 4.535 -2.220 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.698 2.768 -2.430 1.00 0.00 H new ATOM 307 N THR A 23 8.618 3.604 -6.886 1.00 0.00 N ATOM 308 CA THR A 23 8.447 3.676 -8.327 1.00 0.00 C ATOM 309 C THR A 23 7.427 4.757 -8.690 1.00 0.00 C ATOM 310 O THR A 23 7.662 5.560 -9.591 1.00 0.00 O ATOM 311 CB THR A 23 8.061 2.283 -8.828 1.00 0.00 C ATOM 312 OG1 THR A 23 9.262 1.526 -8.709 1.00 0.00 O ATOM 313 CG2 THR A 23 7.756 2.264 -10.327 1.00 0.00 C ATOM 0 H THR A 23 7.837 3.181 -6.384 1.00 0.00 H new ATOM 0 HA THR A 23 9.373 3.969 -8.821 1.00 0.00 H new ATOM 0 HB THR A 23 7.191 1.927 -8.276 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.101 0.608 -9.011 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.488 1.252 -10.631 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.926 2.938 -10.538 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.637 2.588 -10.882 1.00 0.00 H new ATOM 321 N LEU A 24 6.315 4.741 -7.969 1.00 0.00 N ATOM 322 CA LEU A 24 5.258 5.710 -8.204 1.00 0.00 C ATOM 323 C LEU A 24 5.568 6.994 -7.431 1.00 0.00 C ATOM 324 O LEU A 24 6.459 7.013 -6.583 1.00 0.00 O ATOM 325 CB LEU A 24 3.893 5.105 -7.869 1.00 0.00 C ATOM 326 CG LEU A 24 3.864 4.122 -6.697 1.00 0.00 C ATOM 327 CD1 LEU A 24 2.519 4.174 -5.971 1.00 0.00 C ATOM 328 CD2 LEU A 24 4.212 2.706 -7.160 1.00 0.00 C ATOM 0 H LEU A 24 6.123 4.073 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 24 5.213 5.976 -9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.201 5.918 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.517 4.594 -8.755 1.00 0.00 H new ATOM 0 HG LEU A 24 4.628 4.423 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.525 3.466 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.351 5.180 -5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.720 3.913 -6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.184 2.027 -6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.489 2.380 -7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.211 2.701 -7.595 1.00 0.00 H new ATOM 340 N SER A 25 4.815 8.036 -7.751 1.00 0.00 N ATOM 341 CA SER A 25 4.998 9.320 -7.097 1.00 0.00 C ATOM 342 C SER A 25 3.661 9.823 -6.548 1.00 0.00 C ATOM 343 O SER A 25 2.688 9.073 -6.489 1.00 0.00 O ATOM 344 CB SER A 25 5.596 10.348 -8.060 1.00 0.00 C ATOM 345 OG SER A 25 6.697 9.816 -8.792 1.00 0.00 O ATOM 0 H SER A 25 4.077 8.017 -8.455 1.00 0.00 H new ATOM 0 HA SER A 25 5.696 9.186 -6.271 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.827 10.684 -8.755 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.923 11.223 -7.499 1.00 0.00 H new ATOM 0 HG SER A 25 7.050 10.502 -9.397 1.00 0.00 H new ATOM 351 N GLU A 26 3.656 11.090 -6.160 1.00 0.00 N ATOM 352 CA GLU A 26 2.455 11.702 -5.617 1.00 0.00 C ATOM 353 C GLU A 26 1.329 11.670 -6.653 1.00 0.00 C ATOM 354 O GLU A 26 0.170 11.446 -6.308 1.00 0.00 O ATOM 355 CB GLU A 26 2.731 13.133 -5.151 1.00 0.00 C ATOM 356 CG GLU A 26 3.843 13.163 -4.101 1.00 0.00 C ATOM 357 CD GLU A 26 4.006 14.567 -3.515 1.00 0.00 C ATOM 358 OE1 GLU A 26 4.409 15.461 -4.289 1.00 0.00 O ATOM 359 OE2 GLU A 26 3.725 14.713 -2.306 1.00 0.00 O ATOM 0 H GLU A 26 4.465 11.710 -6.211 1.00 0.00 H new ATOM 0 HA GLU A 26 2.139 11.127 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.015 13.749 -6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.821 13.566 -4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.614 12.456 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.782 12.842 -4.551 1.00 0.00 H new ATOM 366 N ASP A 27 1.710 11.898 -7.901 1.00 0.00 N ATOM 367 CA ASP A 27 0.747 11.898 -8.989 1.00 0.00 C ATOM 368 C ASP A 27 -0.106 10.630 -8.910 1.00 0.00 C ATOM 369 O ASP A 27 -1.322 10.706 -8.742 1.00 0.00 O ATOM 370 CB ASP A 27 1.450 11.909 -10.348 1.00 0.00 C ATOM 371 CG ASP A 27 2.012 13.267 -10.773 1.00 0.00 C ATOM 372 OD1 ASP A 27 1.184 14.163 -11.049 1.00 0.00 O ATOM 373 OD2 ASP A 27 3.256 13.379 -10.814 1.00 0.00 O ATOM 0 H ASP A 27 2.672 12.084 -8.183 1.00 0.00 H new ATOM 0 HA ASP A 27 0.132 12.793 -8.893 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.266 11.186 -10.324 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.746 11.570 -11.108 1.00 0.00 H new ATOM 378 N ASP A 28 0.565 9.495 -9.033 1.00 0.00 N ATOM 379 CA ASP A 28 -0.116 8.212 -8.977 1.00 0.00 C ATOM 380 C ASP A 28 -1.069 8.198 -7.780 1.00 0.00 C ATOM 381 O ASP A 28 -0.847 8.903 -6.797 1.00 0.00 O ATOM 382 CB ASP A 28 0.882 7.066 -8.801 1.00 0.00 C ATOM 383 CG ASP A 28 1.632 6.661 -10.071 1.00 0.00 C ATOM 384 OD1 ASP A 28 2.536 7.429 -10.465 1.00 0.00 O ATOM 385 OD2 ASP A 28 1.285 5.592 -10.618 1.00 0.00 O ATOM 0 H ASP A 28 1.574 9.436 -9.171 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.659 8.077 -9.913 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.611 7.352 -8.042 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.349 6.195 -8.419 1.00 0.00 H new ATOM 390 N THR A 29 -2.110 7.388 -7.903 1.00 0.00 N ATOM 391 CA THR A 29 -3.098 7.272 -6.844 1.00 0.00 C ATOM 392 C THR A 29 -2.940 5.939 -6.110 1.00 0.00 C ATOM 393 O THR A 29 -2.276 5.029 -6.605 1.00 0.00 O ATOM 394 CB THR A 29 -4.483 7.463 -7.466 1.00 0.00 C ATOM 395 OG1 THR A 29 -4.501 6.550 -8.559 1.00 0.00 O ATOM 396 CG2 THR A 29 -4.645 8.835 -8.124 1.00 0.00 C ATOM 0 H THR A 29 -2.291 6.805 -8.720 1.00 0.00 H new ATOM 0 HA THR A 29 -2.957 8.043 -6.086 1.00 0.00 H new ATOM 0 HB THR A 29 -5.246 7.336 -6.698 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.365 6.607 -9.018 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.645 8.919 -8.550 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.502 9.616 -7.377 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.903 8.949 -8.915 1.00 0.00 H new ATOM 404 N VAL A 30 -3.562 5.865 -4.943 1.00 0.00 N ATOM 405 CA VAL A 30 -3.499 4.658 -4.136 1.00 0.00 C ATOM 406 C VAL A 30 -3.660 3.436 -5.042 1.00 0.00 C ATOM 407 O VAL A 30 -2.981 2.427 -4.856 1.00 0.00 O ATOM 408 CB VAL A 30 -4.545 4.719 -3.022 1.00 0.00 C ATOM 409 CG1 VAL A 30 -4.691 3.360 -2.333 1.00 0.00 C ATOM 410 CG2 VAL A 30 -4.205 5.814 -2.009 1.00 0.00 C ATOM 0 H VAL A 30 -4.112 6.621 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.528 4.575 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.504 4.970 -3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.441 3.430 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.002 2.613 -3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.735 3.067 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.965 5.836 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.232 5.608 -1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.176 6.780 -2.513 1.00 0.00 H new ATOM 420 N LEU A 31 -4.563 3.566 -6.003 1.00 0.00 N ATOM 421 CA LEU A 31 -4.822 2.484 -6.938 1.00 0.00 C ATOM 422 C LEU A 31 -3.498 2.009 -7.541 1.00 0.00 C ATOM 423 O LEU A 31 -3.154 0.832 -7.442 1.00 0.00 O ATOM 424 CB LEU A 31 -5.854 2.914 -7.982 1.00 0.00 C ATOM 425 CG LEU A 31 -6.510 1.786 -8.781 1.00 0.00 C ATOM 426 CD1 LEU A 31 -7.474 0.983 -7.906 1.00 0.00 C ATOM 427 CD2 LEU A 31 -7.194 2.330 -10.037 1.00 0.00 C ATOM 0 H LEU A 31 -5.124 4.404 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.262 1.631 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.638 3.479 -7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.371 3.595 -8.682 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.728 1.102 -9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.927 0.188 -8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.928 0.547 -7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.255 1.642 -7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.652 1.508 -10.587 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.962 3.048 -9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.455 2.822 -10.669 1.00 0.00 H new ATOM 439 N ASP A 32 -2.792 2.949 -8.152 1.00 0.00 N ATOM 440 CA ASP A 32 -1.514 2.641 -8.770 1.00 0.00 C ATOM 441 C ASP A 32 -0.707 1.735 -7.839 1.00 0.00 C ATOM 442 O ASP A 32 -0.287 0.648 -8.235 1.00 0.00 O ATOM 443 CB ASP A 32 -0.700 3.913 -9.015 1.00 0.00 C ATOM 444 CG ASP A 32 -1.143 4.743 -10.221 1.00 0.00 C ATOM 445 OD1 ASP A 32 -0.807 4.326 -11.351 1.00 0.00 O ATOM 446 OD2 ASP A 32 -1.807 5.775 -9.987 1.00 0.00 O ATOM 0 H ASP A 32 -3.081 3.924 -8.232 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.710 2.149 -9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.754 4.538 -8.124 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.346 3.637 -9.148 1.00 0.00 H new ATOM 451 N LEU A 33 -0.513 2.215 -6.619 1.00 0.00 N ATOM 452 CA LEU A 33 0.237 1.462 -5.629 1.00 0.00 C ATOM 453 C LEU A 33 -0.273 0.020 -5.598 1.00 0.00 C ATOM 454 O LEU A 33 0.496 -0.919 -5.798 1.00 0.00 O ATOM 455 CB LEU A 33 0.183 2.162 -4.270 1.00 0.00 C ATOM 456 CG LEU A 33 1.150 1.637 -3.206 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.485 2.382 -3.264 1.00 0.00 C ATOM 458 CD2 LEU A 33 0.519 1.699 -1.813 1.00 0.00 C ATOM 0 H LEU A 33 -0.863 3.116 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 33 1.292 1.422 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.382 3.223 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.832 2.081 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 33 1.357 0.588 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.154 1.990 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.937 2.243 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.317 3.445 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.227 1.320 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.264 2.732 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.384 1.089 -1.795 1.00 0.00 H new ATOM 470 N LYS A 34 -1.567 -0.111 -5.344 1.00 0.00 N ATOM 471 CA LYS A 34 -2.189 -1.423 -5.285 1.00 0.00 C ATOM 472 C LYS A 34 -1.840 -2.206 -6.552 1.00 0.00 C ATOM 473 O LYS A 34 -1.198 -3.253 -6.482 1.00 0.00 O ATOM 474 CB LYS A 34 -3.694 -1.292 -5.037 1.00 0.00 C ATOM 475 CG LYS A 34 -3.971 -0.616 -3.693 1.00 0.00 C ATOM 476 CD LYS A 34 -5.451 -0.251 -3.558 1.00 0.00 C ATOM 477 CE LYS A 34 -5.979 -0.607 -2.167 1.00 0.00 C ATOM 478 NZ LYS A 34 -7.396 -1.027 -2.242 1.00 0.00 N ATOM 0 H LYS A 34 -2.202 0.670 -5.177 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.799 -1.992 -4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.150 -0.713 -5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.156 -2.279 -5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.681 -1.282 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.361 0.283 -3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.584 0.816 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.030 -0.778 -4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.378 -1.409 -1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.883 0.253 -1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.821 -0.987 -1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.914 -0.390 -2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.451 -2.000 -2.605 1.00 0.00 H new ATOM 492 N GLN A 35 -2.280 -1.670 -7.681 1.00 0.00 N ATOM 493 CA GLN A 35 -2.022 -2.305 -8.961 1.00 0.00 C ATOM 494 C GLN A 35 -0.567 -2.773 -9.039 1.00 0.00 C ATOM 495 O GLN A 35 -0.281 -3.838 -9.584 1.00 0.00 O ATOM 496 CB GLN A 35 -2.357 -1.363 -10.119 1.00 0.00 C ATOM 497 CG GLN A 35 -3.870 -1.272 -10.331 1.00 0.00 C ATOM 498 CD GLN A 35 -4.208 -1.150 -11.818 1.00 0.00 C ATOM 499 OE1 GLN A 35 -4.042 -2.075 -12.597 1.00 0.00 O ATOM 500 NE2 GLN A 35 -4.691 0.039 -12.168 1.00 0.00 N ATOM 0 H GLN A 35 -2.814 -0.803 -7.735 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.669 -3.178 -9.047 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.955 -0.371 -9.914 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.879 -1.718 -11.032 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.353 -2.157 -9.916 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.265 -0.411 -9.793 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.805 0.770 -11.466 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.947 0.220 -13.139 1.00 0.00 H new ATOM 509 N PHE A 36 0.315 -1.953 -8.485 1.00 0.00 N ATOM 510 CA PHE A 36 1.733 -2.269 -8.485 1.00 0.00 C ATOM 511 C PHE A 36 2.052 -3.354 -7.455 1.00 0.00 C ATOM 512 O PHE A 36 2.759 -4.314 -7.759 1.00 0.00 O ATOM 513 CB PHE A 36 2.477 -0.987 -8.104 1.00 0.00 C ATOM 514 CG PHE A 36 3.969 -1.010 -8.441 1.00 0.00 C ATOM 515 CD1 PHE A 36 4.376 -1.293 -9.707 1.00 0.00 C ATOM 516 CD2 PHE A 36 4.888 -0.747 -7.474 1.00 0.00 C ATOM 517 CE1 PHE A 36 5.761 -1.315 -10.020 1.00 0.00 C ATOM 518 CE2 PHE A 36 6.273 -0.769 -7.787 1.00 0.00 C ATOM 519 CZ PHE A 36 6.680 -1.052 -9.053 1.00 0.00 C ATOM 0 H PHE A 36 0.075 -1.071 -8.033 1.00 0.00 H new ATOM 0 HA PHE A 36 2.032 -2.637 -9.466 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.012 -0.144 -8.615 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.359 -0.815 -7.034 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.646 -1.501 -10.475 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.565 -0.522 -6.468 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.084 -1.540 -11.026 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.003 -0.561 -7.019 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.733 -1.068 -9.291 1.00 0.00 H new ATOM 529 N LEU A 37 1.516 -3.166 -6.258 1.00 0.00 N ATOM 530 CA LEU A 37 1.735 -4.118 -5.182 1.00 0.00 C ATOM 531 C LEU A 37 1.260 -5.502 -5.627 1.00 0.00 C ATOM 532 O LEU A 37 1.677 -6.515 -5.067 1.00 0.00 O ATOM 533 CB LEU A 37 1.077 -3.627 -3.891 1.00 0.00 C ATOM 534 CG LEU A 37 1.554 -2.270 -3.368 1.00 0.00 C ATOM 535 CD1 LEU A 37 0.431 -1.542 -2.628 1.00 0.00 C ATOM 536 CD2 LEU A 37 2.805 -2.426 -2.501 1.00 0.00 C ATOM 0 H LEU A 37 0.931 -2.369 -6.009 1.00 0.00 H new ATOM 0 HA LEU A 37 2.798 -4.203 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.000 -3.573 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.246 -4.373 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 37 1.829 -1.652 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.797 -0.581 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.407 -1.380 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.101 -2.146 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.123 -1.447 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.580 -3.069 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.604 -2.873 -3.092 1.00 0.00 H new ATOM 548 N LYS A 38 0.394 -5.502 -6.629 1.00 0.00 N ATOM 549 CA LYS A 38 -0.142 -6.746 -7.155 1.00 0.00 C ATOM 550 C LYS A 38 0.964 -7.500 -7.896 1.00 0.00 C ATOM 551 O LYS A 38 0.876 -8.713 -8.081 1.00 0.00 O ATOM 552 CB LYS A 38 -1.381 -6.475 -8.011 1.00 0.00 C ATOM 553 CG LYS A 38 -2.070 -7.783 -8.408 1.00 0.00 C ATOM 554 CD LYS A 38 -3.322 -7.512 -9.245 1.00 0.00 C ATOM 555 CE LYS A 38 -3.077 -7.839 -10.719 1.00 0.00 C ATOM 556 NZ LYS A 38 -3.596 -6.755 -11.584 1.00 0.00 N ATOM 0 H LYS A 38 0.050 -4.660 -7.091 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.478 -7.390 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.079 -5.845 -7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.095 -5.924 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.377 -8.405 -8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.341 -8.342 -7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.152 -8.111 -8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.612 -6.466 -9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.010 -7.973 -10.895 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.563 -8.780 -10.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.422 -6.993 -12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.618 -6.646 -11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.113 -5.864 -11.351 1.00 0.00 H new ATOM 570 N THR A 39 1.980 -6.751 -8.299 1.00 0.00 N ATOM 571 CA THR A 39 3.102 -7.334 -9.014 1.00 0.00 C ATOM 572 C THR A 39 4.266 -7.599 -8.057 1.00 0.00 C ATOM 573 O THR A 39 5.136 -8.420 -8.344 1.00 0.00 O ATOM 574 CB THR A 39 3.465 -6.398 -10.168 1.00 0.00 C ATOM 575 OG1 THR A 39 4.226 -7.215 -11.053 1.00 0.00 O ATOM 576 CG2 THR A 39 4.441 -5.298 -9.745 1.00 0.00 C ATOM 0 H THR A 39 2.049 -5.745 -8.144 1.00 0.00 H new ATOM 0 HA THR A 39 2.841 -8.305 -9.434 1.00 0.00 H new ATOM 0 HB THR A 39 2.557 -5.945 -10.566 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.501 -6.686 -11.831 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.666 -4.662 -10.601 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.992 -4.697 -8.954 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.362 -5.750 -9.378 1.00 0.00 H new ATOM 584 N LEU A 40 4.244 -6.888 -6.940 1.00 0.00 N ATOM 585 CA LEU A 40 5.287 -7.035 -5.939 1.00 0.00 C ATOM 586 C LEU A 40 4.989 -8.263 -5.076 1.00 0.00 C ATOM 587 O LEU A 40 5.863 -9.101 -4.860 1.00 0.00 O ATOM 588 CB LEU A 40 5.445 -5.742 -5.135 1.00 0.00 C ATOM 589 CG LEU A 40 5.826 -4.497 -5.938 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.884 -3.261 -5.037 1.00 0.00 C ATOM 591 CD2 LEU A 40 7.135 -4.714 -6.699 1.00 0.00 C ATOM 0 H LEU A 40 3.520 -6.208 -6.706 1.00 0.00 H new ATOM 0 HA LEU A 40 6.252 -7.206 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.507 -5.543 -4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.204 -5.903 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 40 5.049 -4.318 -6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.157 -2.389 -5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.908 -3.097 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.629 -3.415 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.382 -3.814 -7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.935 -4.932 -5.992 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.021 -5.552 -7.387 1.00 0.00 H new ATOM 603 N THR A 41 3.752 -8.330 -4.605 1.00 0.00 N ATOM 604 CA THR A 41 3.329 -9.441 -3.770 1.00 0.00 C ATOM 605 C THR A 41 2.665 -10.525 -4.622 1.00 0.00 C ATOM 606 O THR A 41 3.157 -11.649 -4.697 1.00 0.00 O ATOM 607 CB THR A 41 2.418 -8.888 -2.672 1.00 0.00 C ATOM 608 OG1 THR A 41 1.224 -8.525 -3.361 1.00 0.00 O ATOM 609 CG2 THR A 41 2.931 -7.567 -2.096 1.00 0.00 C ATOM 0 H THR A 41 3.030 -7.633 -4.786 1.00 0.00 H new ATOM 0 HA THR A 41 4.181 -9.924 -3.292 1.00 0.00 H new ATOM 0 HB THR A 41 2.328 -9.623 -1.872 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.386 -7.718 -3.894 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.248 -7.218 -1.321 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.921 -7.718 -1.666 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.990 -6.822 -2.890 1.00 0.00 H new ATOM 617 N GLY A 42 1.556 -10.148 -5.242 1.00 0.00 N ATOM 618 CA GLY A 42 0.819 -11.074 -6.085 1.00 0.00 C ATOM 619 C GLY A 42 -0.593 -11.305 -5.542 1.00 0.00 C ATOM 620 O GLY A 42 -1.130 -12.406 -5.651 1.00 0.00 O ATOM 0 H GLY A 42 1.150 -9.214 -5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.762 -10.681 -7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.351 -12.024 -6.140 1.00 0.00 H new ATOM 624 N VAL A 43 -1.153 -10.250 -4.970 1.00 0.00 N ATOM 625 CA VAL A 43 -2.491 -10.324 -4.411 1.00 0.00 C ATOM 626 C VAL A 43 -3.356 -9.217 -5.019 1.00 0.00 C ATOM 627 O VAL A 43 -2.938 -8.062 -5.082 1.00 0.00 O ATOM 628 CB VAL A 43 -2.424 -10.259 -2.883 1.00 0.00 C ATOM 629 CG1 VAL A 43 -3.821 -10.372 -2.268 1.00 0.00 C ATOM 630 CG2 VAL A 43 -1.492 -11.338 -2.329 1.00 0.00 C ATOM 0 H VAL A 43 -0.704 -9.338 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.958 -11.276 -4.663 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.014 -9.288 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.745 -10.323 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.443 -9.552 -2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.270 -11.322 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.462 -11.270 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.860 -12.322 -2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.489 -11.193 -2.729 1.00 0.00 H new ATOM 640 N LEU A 44 -4.545 -9.610 -5.450 1.00 0.00 N ATOM 641 CA LEU A 44 -5.472 -8.665 -6.051 1.00 0.00 C ATOM 642 C LEU A 44 -5.471 -7.369 -5.239 1.00 0.00 C ATOM 643 O LEU A 44 -5.161 -7.379 -4.048 1.00 0.00 O ATOM 644 CB LEU A 44 -6.858 -9.296 -6.200 1.00 0.00 C ATOM 645 CG LEU A 44 -6.924 -10.582 -7.027 1.00 0.00 C ATOM 646 CD1 LEU A 44 -8.367 -11.071 -7.166 1.00 0.00 C ATOM 647 CD2 LEU A 44 -6.250 -10.395 -8.388 1.00 0.00 C ATOM 0 H LEU A 44 -4.888 -10.569 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.153 -8.409 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.248 -9.507 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.523 -8.561 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.370 -11.357 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.386 -11.986 -7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.781 -11.270 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.964 -10.306 -7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.311 -11.324 -8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.754 -9.600 -8.938 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.203 -10.127 -8.242 1.00 0.00 H new ATOM 659 N PRO A 45 -5.830 -6.256 -5.932 1.00 0.00 N ATOM 660 CA PRO A 45 -5.874 -4.954 -5.288 1.00 0.00 C ATOM 661 C PRO A 45 -7.102 -4.830 -4.384 1.00 0.00 C ATOM 662 O PRO A 45 -7.066 -4.128 -3.375 1.00 0.00 O ATOM 663 CB PRO A 45 -5.872 -3.950 -6.429 1.00 0.00 C ATOM 664 CG PRO A 45 -6.296 -4.724 -7.666 1.00 0.00 C ATOM 665 CD PRO A 45 -6.204 -6.207 -7.343 1.00 0.00 C ATOM 0 HA PRO A 45 -5.026 -4.784 -4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.560 -3.129 -6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.883 -3.512 -6.562 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.314 -4.458 -7.952 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.652 -4.477 -8.510 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.155 -6.710 -7.518 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.461 -6.703 -7.967 1.00 0.00 H new ATOM 673 N GLU A 46 -8.160 -5.523 -4.780 1.00 0.00 N ATOM 674 CA GLU A 46 -9.397 -5.499 -4.018 1.00 0.00 C ATOM 675 C GLU A 46 -9.231 -6.276 -2.711 1.00 0.00 C ATOM 676 O GLU A 46 -9.718 -5.849 -1.665 1.00 0.00 O ATOM 677 CB GLU A 46 -10.560 -6.055 -4.843 1.00 0.00 C ATOM 678 CG GLU A 46 -10.349 -7.538 -5.155 1.00 0.00 C ATOM 679 CD GLU A 46 -11.296 -8.005 -6.263 1.00 0.00 C ATOM 680 OE1 GLU A 46 -12.510 -7.745 -6.119 1.00 0.00 O ATOM 681 OE2 GLU A 46 -10.784 -8.611 -7.229 1.00 0.00 O ATOM 0 H GLU A 46 -8.186 -6.104 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.630 -4.463 -3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.494 -5.924 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.653 -5.493 -5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.316 -7.706 -5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.516 -8.130 -4.255 1.00 0.00 H new ATOM 688 N ARG A 47 -8.542 -7.403 -2.813 1.00 0.00 N ATOM 689 CA ARG A 47 -8.306 -8.244 -1.652 1.00 0.00 C ATOM 690 C ARG A 47 -7.292 -7.583 -0.716 1.00 0.00 C ATOM 691 O ARG A 47 -7.477 -7.575 0.500 1.00 0.00 O ATOM 692 CB ARG A 47 -7.785 -9.621 -2.066 1.00 0.00 C ATOM 693 CG ARG A 47 -8.781 -10.330 -2.986 1.00 0.00 C ATOM 694 CD ARG A 47 -9.445 -11.509 -2.271 1.00 0.00 C ATOM 695 NE ARG A 47 -10.895 -11.256 -2.119 1.00 0.00 N ATOM 696 CZ ARG A 47 -11.789 -12.193 -1.775 1.00 0.00 C ATOM 697 NH1 ARG A 47 -11.387 -13.451 -1.546 1.00 0.00 N ATOM 698 NH2 ARG A 47 -13.085 -11.873 -1.660 1.00 0.00 N ATOM 0 H ARG A 47 -8.139 -7.753 -3.682 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.257 -8.369 -1.134 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.827 -9.513 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.608 -10.229 -1.179 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.543 -9.624 -3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.267 -10.685 -3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.285 -12.426 -2.838 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.988 -11.656 -1.292 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.235 -10.309 -2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.401 -13.695 -1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.068 -14.164 -1.284 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.391 -10.916 -1.834 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.765 -12.587 -1.398 1.00 0.00 H new ATOM 712 N GLN A 48 -6.241 -7.045 -1.318 1.00 0.00 N ATOM 713 CA GLN A 48 -5.198 -6.383 -0.554 1.00 0.00 C ATOM 714 C GLN A 48 -5.815 -5.485 0.520 1.00 0.00 C ATOM 715 O GLN A 48 -6.655 -4.639 0.219 1.00 0.00 O ATOM 716 CB GLN A 48 -4.270 -5.584 -1.471 1.00 0.00 C ATOM 717 CG GLN A 48 -3.088 -6.438 -1.934 1.00 0.00 C ATOM 718 CD GLN A 48 -1.996 -5.568 -2.562 1.00 0.00 C ATOM 719 OE1 GLN A 48 -1.027 -5.188 -1.925 1.00 0.00 O ATOM 720 NE2 GLN A 48 -2.206 -5.277 -3.842 1.00 0.00 N ATOM 0 H GLN A 48 -6.090 -7.054 -2.327 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.597 -7.146 -0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.827 -5.228 -2.337 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.903 -4.703 -0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.678 -6.988 -1.087 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.430 -7.177 -2.658 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.039 -5.628 -4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.534 -4.703 -4.351 1.00 0.00 H new ATOM 729 N LYS A 49 -5.374 -5.700 1.751 1.00 0.00 N ATOM 730 CA LYS A 49 -5.872 -4.920 2.871 1.00 0.00 C ATOM 731 C LYS A 49 -4.738 -4.061 3.434 1.00 0.00 C ATOM 732 O LYS A 49 -3.685 -4.580 3.801 1.00 0.00 O ATOM 733 CB LYS A 49 -6.526 -5.833 3.910 1.00 0.00 C ATOM 734 CG LYS A 49 -8.011 -5.504 4.072 1.00 0.00 C ATOM 735 CD LYS A 49 -8.238 -4.559 5.254 1.00 0.00 C ATOM 736 CE LYS A 49 -7.622 -3.185 4.984 1.00 0.00 C ATOM 737 NZ LYS A 49 -8.448 -2.118 5.590 1.00 0.00 N ATOM 0 H LYS A 49 -4.677 -6.403 1.997 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.655 -4.237 2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.411 -6.874 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.019 -5.721 4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.387 -5.045 3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.576 -6.424 4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.307 -4.452 5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.800 -4.987 6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.612 -3.147 5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.539 -3.022 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.015 -1.192 5.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.404 -2.145 5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.506 -2.265 6.618 1.00 0.00 H new ATOM 751 N LEU A 50 -4.992 -2.762 3.484 1.00 0.00 N ATOM 752 CA LEU A 50 -4.005 -1.826 3.996 1.00 0.00 C ATOM 753 C LEU A 50 -4.248 -1.601 5.490 1.00 0.00 C ATOM 754 O LEU A 50 -5.385 -1.394 5.913 1.00 0.00 O ATOM 755 CB LEU A 50 -4.011 -0.537 3.171 1.00 0.00 C ATOM 756 CG LEU A 50 -3.808 -0.704 1.664 1.00 0.00 C ATOM 757 CD1 LEU A 50 -3.417 0.625 1.013 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.792 -1.808 1.367 1.00 0.00 C ATOM 0 H LEU A 50 -5.867 -2.335 3.179 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.001 -2.238 3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.961 -0.028 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.228 0.119 3.552 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.756 -1.012 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.279 0.479 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.206 1.358 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.487 0.986 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.666 -1.906 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.835 -1.554 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.150 -2.752 1.778 1.00 0.00 H new ATOM 770 N LEU A 51 -3.162 -1.650 6.247 1.00 0.00 N ATOM 771 CA LEU A 51 -3.243 -1.454 7.685 1.00 0.00 C ATOM 772 C LEU A 51 -2.263 -0.357 8.102 1.00 0.00 C ATOM 773 O LEU A 51 -1.053 -0.502 7.931 1.00 0.00 O ATOM 774 CB LEU A 51 -3.031 -2.780 8.418 1.00 0.00 C ATOM 775 CG LEU A 51 -4.180 -3.241 9.317 1.00 0.00 C ATOM 776 CD1 LEU A 51 -5.441 -3.518 8.496 1.00 0.00 C ATOM 777 CD2 LEU A 51 -3.767 -4.451 10.158 1.00 0.00 C ATOM 0 H LEU A 51 -2.221 -1.822 5.892 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.239 -1.115 7.968 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.843 -3.556 7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.131 -2.696 9.027 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.417 -2.433 10.009 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.242 -3.844 9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.746 -2.608 7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.235 -4.299 7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.602 -4.758 10.788 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.487 -5.273 9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.917 -4.184 10.786 1.00 0.00 H new ATOM 789 N GLY A 52 -2.821 0.718 8.641 1.00 0.00 N ATOM 790 CA GLY A 52 -2.011 1.840 9.083 1.00 0.00 C ATOM 791 C GLY A 52 -2.823 3.136 9.083 1.00 0.00 C ATOM 792 O GLY A 52 -3.185 3.646 10.142 1.00 0.00 O ATOM 0 H GLY A 52 -3.824 0.835 8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.630 1.645 10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.146 1.949 8.429 1.00 0.00 H new ATOM 796 N LEU A 53 -3.086 3.632 7.883 1.00 0.00 N ATOM 797 CA LEU A 53 -3.849 4.859 7.731 1.00 0.00 C ATOM 798 C LEU A 53 -5.281 4.516 7.315 1.00 0.00 C ATOM 799 O LEU A 53 -5.499 3.594 6.531 1.00 0.00 O ATOM 800 CB LEU A 53 -3.141 5.814 6.768 1.00 0.00 C ATOM 801 CG LEU A 53 -3.383 5.566 5.278 1.00 0.00 C ATOM 802 CD1 LEU A 53 -2.964 4.149 4.883 1.00 0.00 C ATOM 803 CD2 LEU A 53 -4.837 5.860 4.903 1.00 0.00 C ATOM 0 H LEU A 53 -2.784 3.206 7.007 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.911 5.389 8.681 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.453 6.832 7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.069 5.759 6.956 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.758 6.256 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.147 3.999 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.903 4.012 5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.543 3.425 5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.983 5.676 3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.499 5.212 5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.067 6.902 5.126 1.00 0.00 H new ATOM 815 N LYS A 54 -6.219 5.278 7.859 1.00 0.00 N ATOM 816 CA LYS A 54 -7.624 5.066 7.554 1.00 0.00 C ATOM 817 C LYS A 54 -8.328 6.420 7.446 1.00 0.00 C ATOM 818 O LYS A 54 -7.757 7.450 7.802 1.00 0.00 O ATOM 819 CB LYS A 54 -8.258 4.123 8.579 1.00 0.00 C ATOM 820 CG LYS A 54 -8.193 2.671 8.101 1.00 0.00 C ATOM 821 CD LYS A 54 -8.559 1.706 9.231 1.00 0.00 C ATOM 822 CE LYS A 54 -7.527 1.766 10.359 1.00 0.00 C ATOM 823 NZ LYS A 54 -8.160 2.221 11.617 1.00 0.00 N ATOM 0 H LYS A 54 -6.034 6.042 8.509 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.734 4.571 6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.742 4.219 9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.296 4.408 8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.874 2.530 7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.190 2.448 7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.545 1.956 9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.618 0.690 8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.081 0.782 10.505 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.719 2.445 10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.446 2.256 12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.565 3.169 11.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.915 1.558 11.885 1.00 0.00 H new ATOM 837 N VAL A 55 -9.557 6.375 6.954 1.00 0.00 N ATOM 838 CA VAL A 55 -10.345 7.586 6.795 1.00 0.00 C ATOM 839 C VAL A 55 -11.753 7.348 7.344 1.00 0.00 C ATOM 840 O VAL A 55 -12.609 6.800 6.651 1.00 0.00 O ATOM 841 CB VAL A 55 -10.340 8.024 5.329 1.00 0.00 C ATOM 842 CG1 VAL A 55 -11.404 9.093 5.073 1.00 0.00 C ATOM 843 CG2 VAL A 55 -8.954 8.518 4.909 1.00 0.00 C ATOM 0 H VAL A 55 -10.027 5.519 6.660 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.908 8.405 7.366 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.585 7.155 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.379 9.387 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.388 8.692 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.203 9.963 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.978 8.823 3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.668 9.368 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.228 7.715 5.036 1.00 0.00 H new ATOM 853 N LYS A 56 -11.950 7.773 8.583 1.00 0.00 N ATOM 854 CA LYS A 56 -13.240 7.614 9.233 1.00 0.00 C ATOM 855 C LYS A 56 -13.750 6.190 9.002 1.00 0.00 C ATOM 856 O LYS A 56 -14.822 5.996 8.431 1.00 0.00 O ATOM 857 CB LYS A 56 -14.212 8.699 8.766 1.00 0.00 C ATOM 858 CG LYS A 56 -13.807 10.070 9.310 1.00 0.00 C ATOM 859 CD LYS A 56 -15.028 10.975 9.483 1.00 0.00 C ATOM 860 CE LYS A 56 -15.113 12.003 8.353 1.00 0.00 C ATOM 861 NZ LYS A 56 -15.315 13.362 8.902 1.00 0.00 N ATOM 0 H LYS A 56 -11.238 8.228 9.154 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.143 7.748 10.310 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.234 8.728 7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.221 8.456 9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.301 9.950 10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.096 10.539 8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.934 10.370 9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.972 11.488 10.443 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.199 11.976 7.760 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.935 11.749 7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.370 14.047 8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.199 13.388 9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.517 13.608 9.522 1.00 0.00 H new ATOM 875 N GLY A 57 -12.958 5.231 9.458 1.00 0.00 N ATOM 876 CA GLY A 57 -13.316 3.830 9.308 1.00 0.00 C ATOM 877 C GLY A 57 -12.480 3.165 8.213 1.00 0.00 C ATOM 878 O GLY A 57 -11.506 2.472 8.505 1.00 0.00 O ATOM 0 H GLY A 57 -12.070 5.396 9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.164 3.309 10.253 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.375 3.746 9.064 1.00 0.00 H new ATOM 882 N LYS A 58 -12.890 3.399 6.975 1.00 0.00 N ATOM 883 CA LYS A 58 -12.191 2.831 5.835 1.00 0.00 C ATOM 884 C LYS A 58 -11.108 3.806 5.369 1.00 0.00 C ATOM 885 O LYS A 58 -11.213 5.010 5.595 1.00 0.00 O ATOM 886 CB LYS A 58 -13.184 2.443 4.737 1.00 0.00 C ATOM 887 CG LYS A 58 -13.753 3.685 4.049 1.00 0.00 C ATOM 888 CD LYS A 58 -14.726 3.297 2.934 1.00 0.00 C ATOM 889 CE LYS A 58 -16.017 4.114 3.024 1.00 0.00 C ATOM 890 NZ LYS A 58 -16.862 3.881 1.831 1.00 0.00 N ATOM 0 H LYS A 58 -13.698 3.974 6.736 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.687 1.907 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.689 1.810 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.996 1.857 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.264 4.309 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.939 4.281 3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.256 3.459 1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.958 2.234 3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.566 3.840 3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.778 5.174 3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.734 4.443 1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.342 4.165 0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.105 2.872 1.769 1.00 0.00 H new ATOM 904 N PRO A 59 -10.065 3.233 4.710 1.00 0.00 N ATOM 905 CA PRO A 59 -8.964 4.038 4.209 1.00 0.00 C ATOM 906 C PRO A 59 -9.376 4.813 2.956 1.00 0.00 C ATOM 907 O PRO A 59 -10.308 4.419 2.257 1.00 0.00 O ATOM 908 CB PRO A 59 -7.838 3.050 3.953 1.00 0.00 C ATOM 909 CG PRO A 59 -8.495 1.681 3.876 1.00 0.00 C ATOM 910 CD PRO A 59 -9.907 1.810 4.424 1.00 0.00 C ATOM 0 HA PRO A 59 -8.649 4.805 4.916 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.315 3.285 3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.099 3.084 4.753 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.516 1.325 2.846 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.927 0.952 4.453 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.646 1.467 3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.039 1.208 5.323 1.00 0.00 H new ATOM 918 N ALA A 60 -8.661 5.902 2.710 1.00 0.00 N ATOM 919 CA ALA A 60 -8.941 6.735 1.553 1.00 0.00 C ATOM 920 C ALA A 60 -9.259 5.843 0.352 1.00 0.00 C ATOM 921 O ALA A 60 -8.867 4.677 0.319 1.00 0.00 O ATOM 922 CB ALA A 60 -7.752 7.663 1.293 1.00 0.00 C ATOM 0 H ALA A 60 -7.889 6.226 3.292 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.812 7.364 1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.961 8.288 0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.587 8.296 2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.860 7.067 1.104 1.00 0.00 H new ATOM 928 N GLU A 61 -9.966 6.424 -0.606 1.00 0.00 N ATOM 929 CA GLU A 61 -10.340 5.696 -1.806 1.00 0.00 C ATOM 930 C GLU A 61 -9.091 5.274 -2.583 1.00 0.00 C ATOM 931 O GLU A 61 -7.969 5.495 -2.129 1.00 0.00 O ATOM 932 CB GLU A 61 -11.276 6.530 -2.684 1.00 0.00 C ATOM 933 CG GLU A 61 -12.626 6.745 -1.996 1.00 0.00 C ATOM 934 CD GLU A 61 -13.640 7.363 -2.961 1.00 0.00 C ATOM 935 OE1 GLU A 61 -14.217 6.587 -3.752 1.00 0.00 O ATOM 936 OE2 GLU A 61 -13.814 8.599 -2.885 1.00 0.00 O ATOM 0 H GLU A 61 -10.290 7.391 -0.575 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.879 4.797 -1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.816 7.494 -2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.427 6.029 -3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.005 5.793 -1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.498 7.396 -1.131 1.00 0.00 H new ATOM 943 N ASN A 62 -9.327 4.674 -3.740 1.00 0.00 N ATOM 944 CA ASN A 62 -8.235 4.219 -4.584 1.00 0.00 C ATOM 945 C ASN A 62 -7.873 5.322 -5.581 1.00 0.00 C ATOM 946 O ASN A 62 -6.736 5.396 -6.044 1.00 0.00 O ATOM 947 CB ASN A 62 -8.636 2.976 -5.380 1.00 0.00 C ATOM 948 CG ASN A 62 -9.921 3.223 -6.173 1.00 0.00 C ATOM 949 OD1 ASN A 62 -9.927 3.863 -7.212 1.00 0.00 O ATOM 950 ND2 ASN A 62 -11.006 2.680 -5.628 1.00 0.00 N ATOM 0 H ASN A 62 -10.259 4.492 -4.113 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.389 3.978 -3.940 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.831 2.701 -6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.780 2.136 -4.701 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.913 2.787 -6.082 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.931 2.156 -4.756 1.00 0.00 H new ATOM 957 N ASP A 63 -8.861 6.152 -5.881 1.00 0.00 N ATOM 958 CA ASP A 63 -8.661 7.248 -6.814 1.00 0.00 C ATOM 959 C ASP A 63 -8.282 8.511 -6.037 1.00 0.00 C ATOM 960 O ASP A 63 -8.760 9.601 -6.346 1.00 0.00 O ATOM 961 CB ASP A 63 -9.940 7.543 -7.600 1.00 0.00 C ATOM 962 CG ASP A 63 -9.719 8.102 -9.007 1.00 0.00 C ATOM 963 OD1 ASP A 63 -9.040 9.147 -9.102 1.00 0.00 O ATOM 964 OD2 ASP A 63 -10.235 7.472 -9.956 1.00 0.00 O ATOM 0 H ASP A 63 -9.803 6.088 -5.494 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.870 6.961 -7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.521 6.624 -7.677 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.541 8.254 -7.033 1.00 0.00 H new ATOM 969 N VAL A 64 -7.426 8.321 -5.044 1.00 0.00 N ATOM 970 CA VAL A 64 -6.977 9.431 -4.220 1.00 0.00 C ATOM 971 C VAL A 64 -5.487 9.673 -4.466 1.00 0.00 C ATOM 972 O VAL A 64 -4.716 8.725 -4.608 1.00 0.00 O ATOM 973 CB VAL A 64 -7.305 9.159 -2.751 1.00 0.00 C ATOM 974 CG1 VAL A 64 -6.285 9.829 -1.829 1.00 0.00 C ATOM 975 CG2 VAL A 64 -8.728 9.609 -2.414 1.00 0.00 C ATOM 0 H VAL A 64 -7.031 7.415 -4.791 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.504 10.346 -4.492 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.247 8.083 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.541 9.620 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.290 9.439 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.296 10.906 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.935 9.404 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.825 10.678 -2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.439 9.065 -3.037 1.00 0.00 H new ATOM 985 N LYS A 65 -5.125 10.947 -4.509 1.00 0.00 N ATOM 986 CA LYS A 65 -3.741 11.325 -4.734 1.00 0.00 C ATOM 987 C LYS A 65 -2.927 11.045 -3.469 1.00 0.00 C ATOM 988 O LYS A 65 -3.115 11.705 -2.448 1.00 0.00 O ATOM 989 CB LYS A 65 -3.653 12.775 -5.214 1.00 0.00 C ATOM 990 CG LYS A 65 -3.389 12.839 -6.720 1.00 0.00 C ATOM 991 CD LYS A 65 -1.968 13.329 -7.007 1.00 0.00 C ATOM 992 CE LYS A 65 -1.988 14.652 -7.775 1.00 0.00 C ATOM 993 NZ LYS A 65 -1.101 15.642 -7.124 1.00 0.00 N ATOM 0 H LYS A 65 -5.767 11.731 -4.392 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.307 10.722 -5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.582 13.296 -4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.856 13.291 -4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.533 11.852 -7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.110 13.507 -7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.428 13.457 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.430 12.577 -7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.666 14.487 -8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.006 15.039 -7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.126 16.534 -7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.425 15.812 -6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.127 15.277 -7.106 1.00 0.00 H new ATOM 1007 N LEU A 66 -2.041 10.066 -3.578 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.198 9.691 -2.455 1.00 0.00 C ATOM 1009 C LEU A 66 -0.534 10.944 -1.881 1.00 0.00 C ATOM 1010 O LEU A 66 -0.209 10.991 -0.695 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.205 8.604 -2.870 1.00 0.00 C ATOM 1012 CG LEU A 66 -0.815 7.277 -3.326 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.076 6.725 -4.547 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -0.855 6.269 -2.176 1.00 0.00 C ATOM 0 H LEU A 66 -1.888 9.521 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.798 9.254 -1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.413 8.994 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.459 8.406 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.846 7.461 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.529 5.781 -4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.143 7.440 -5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.971 6.560 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.293 5.334 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.158 6.084 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.459 6.670 -1.362 1.00 0.00 H new ATOM 1026 N GLY A 67 -0.353 11.930 -2.748 1.00 0.00 N ATOM 1027 CA GLY A 67 0.266 13.180 -2.342 1.00 0.00 C ATOM 1028 C GLY A 67 -0.672 13.991 -1.446 1.00 0.00 C ATOM 1029 O GLY A 67 -0.239 14.571 -0.451 1.00 0.00 O ATOM 0 H GLY A 67 -0.624 11.888 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.195 12.974 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.527 13.764 -3.224 1.00 0.00 H new ATOM 1033 N ALA A 68 -1.940 14.005 -1.830 1.00 0.00 N ATOM 1034 CA ALA A 68 -2.943 14.735 -1.074 1.00 0.00 C ATOM 1035 C ALA A 68 -2.847 14.345 0.402 1.00 0.00 C ATOM 1036 O ALA A 68 -3.084 15.170 1.283 1.00 0.00 O ATOM 1037 CB ALA A 68 -4.328 14.457 -1.662 1.00 0.00 C ATOM 0 H ALA A 68 -2.296 13.522 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.769 15.809 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.081 15.005 -1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.353 14.779 -2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.539 13.389 -1.608 1.00 0.00 H new ATOM 1043 N LEU A 69 -2.499 13.086 0.627 1.00 0.00 N ATOM 1044 CA LEU A 69 -2.369 12.577 1.981 1.00 0.00 C ATOM 1045 C LEU A 69 -1.119 13.176 2.629 1.00 0.00 C ATOM 1046 O LEU A 69 -1.070 13.353 3.846 1.00 0.00 O ATOM 1047 CB LEU A 69 -2.388 11.047 1.982 1.00 0.00 C ATOM 1048 CG LEU A 69 -3.768 10.394 2.089 1.00 0.00 C ATOM 1049 CD1 LEU A 69 -4.600 11.048 3.193 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -4.489 10.413 0.740 1.00 0.00 C ATOM 0 H LEU A 69 -2.303 12.404 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.221 12.885 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.912 10.697 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.776 10.696 2.813 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.631 9.349 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.576 10.565 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.087 10.939 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.731 12.107 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.467 9.943 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.615 11.444 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.899 9.866 0.005 1.00 0.00 H new ATOM 1062 N LYS A 70 -0.139 13.472 1.788 1.00 0.00 N ATOM 1063 CA LYS A 70 1.107 14.048 2.263 1.00 0.00 C ATOM 1064 C LYS A 70 1.725 13.121 3.312 1.00 0.00 C ATOM 1065 O LYS A 70 2.034 13.552 4.422 1.00 0.00 O ATOM 1066 CB LYS A 70 0.881 15.477 2.763 1.00 0.00 C ATOM 1067 CG LYS A 70 1.156 16.495 1.655 1.00 0.00 C ATOM 1068 CD LYS A 70 0.155 17.650 1.710 1.00 0.00 C ATOM 1069 CE LYS A 70 0.864 18.978 1.985 1.00 0.00 C ATOM 1070 NZ LYS A 70 -0.086 20.107 1.868 1.00 0.00 N ATOM 0 H LYS A 70 -0.183 13.324 0.780 1.00 0.00 H new ATOM 0 HA LYS A 70 1.824 14.130 1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.145 15.585 3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.532 15.676 3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.170 16.883 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.098 16.005 0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.387 17.712 0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.583 17.460 2.489 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.300 18.964 2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.685 19.111 1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.411 21.000 2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.483 20.129 0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.855 19.986 2.557 1.00 0.00 H new ATOM 1084 N LEU A 71 1.887 11.865 2.922 1.00 0.00 N ATOM 1085 CA LEU A 71 2.463 10.873 3.814 1.00 0.00 C ATOM 1086 C LEU A 71 3.964 11.132 3.957 1.00 0.00 C ATOM 1087 O LEU A 71 4.543 11.892 3.182 1.00 0.00 O ATOM 1088 CB LEU A 71 2.125 9.460 3.334 1.00 0.00 C ATOM 1089 CG LEU A 71 0.637 9.142 3.181 1.00 0.00 C ATOM 1090 CD1 LEU A 71 0.358 8.458 1.841 1.00 0.00 C ATOM 1091 CD2 LEU A 71 0.128 8.315 4.364 1.00 0.00 C ATOM 0 H LEU A 71 1.629 11.512 2.000 1.00 0.00 H new ATOM 0 HA LEU A 71 2.029 10.958 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.612 9.298 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.559 8.746 4.034 1.00 0.00 H new ATOM 0 HG LEU A 71 0.085 10.082 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.707 8.243 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.660 9.116 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.922 7.527 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.933 8.103 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.682 7.378 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.272 8.875 5.288 1.00 0.00 H new ATOM 1103 N LYS A 72 4.552 10.486 4.953 1.00 0.00 N ATOM 1104 CA LYS A 72 5.975 10.636 5.207 1.00 0.00 C ATOM 1105 C LYS A 72 6.762 9.857 4.152 1.00 0.00 C ATOM 1106 O LYS A 72 6.269 8.871 3.607 1.00 0.00 O ATOM 1107 CB LYS A 72 6.308 10.233 6.645 1.00 0.00 C ATOM 1108 CG LYS A 72 5.553 11.107 7.649 1.00 0.00 C ATOM 1109 CD LYS A 72 6.009 10.817 9.080 1.00 0.00 C ATOM 1110 CE LYS A 72 6.403 12.107 9.802 1.00 0.00 C ATOM 1111 NZ LYS A 72 7.543 11.863 10.713 1.00 0.00 N ATOM 0 H LYS A 72 4.069 9.857 5.594 1.00 0.00 H new ATOM 0 HA LYS A 72 6.270 11.682 5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.049 9.186 6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.381 10.325 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.718 12.159 7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.482 10.926 7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.208 10.320 9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.857 10.132 9.064 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.670 12.872 9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.553 12.488 10.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.798 12.749 11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.276 11.148 11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.358 11.520 10.165 1.00 0.00 H new ATOM 1125 N PRO A 73 8.005 10.342 3.888 1.00 0.00 N ATOM 1126 CA PRO A 73 8.865 9.702 2.908 1.00 0.00 C ATOM 1127 C PRO A 73 9.452 8.401 3.459 1.00 0.00 C ATOM 1128 O PRO A 73 10.670 8.230 3.493 1.00 0.00 O ATOM 1129 CB PRO A 73 9.926 10.739 2.579 1.00 0.00 C ATOM 1130 CG PRO A 73 9.897 11.743 3.720 1.00 0.00 C ATOM 1131 CD PRO A 73 8.622 11.508 4.514 1.00 0.00 C ATOM 0 HA PRO A 73 8.327 9.402 2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.909 10.277 2.490 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.715 11.225 1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.772 11.621 4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.924 12.762 3.333 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.839 11.324 5.566 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.963 12.375 4.471 1.00 0.00 H new ATOM 1139 N ASN A 74 8.558 7.517 3.877 1.00 0.00 N ATOM 1140 CA ASN A 74 8.972 6.236 4.425 1.00 0.00 C ATOM 1141 C ASN A 74 7.864 5.691 5.328 1.00 0.00 C ATOM 1142 O ASN A 74 8.133 5.223 6.434 1.00 0.00 O ATOM 1143 CB ASN A 74 10.240 6.382 5.269 1.00 0.00 C ATOM 1144 CG ASN A 74 10.170 7.629 6.153 1.00 0.00 C ATOM 1145 OD1 ASN A 74 9.497 7.451 7.286 1.00 0.00 O flip ATOM 1146 ND2 ASN A 74 10.693 8.682 5.828 1.00 0.00 N flip ATOM 0 H ASN A 74 7.549 7.662 3.847 1.00 0.00 H new ATOM 0 HA ASN A 74 9.168 5.561 3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.370 5.497 5.892 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.111 6.443 4.616 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.195 8.750 4.943 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.628 9.494 6.441 1.00 0.00 H new ATOM 1153 N THR A 75 6.641 5.769 4.824 1.00 0.00 N ATOM 1154 CA THR A 75 5.491 5.290 5.571 1.00 0.00 C ATOM 1155 C THR A 75 5.424 3.762 5.524 1.00 0.00 C ATOM 1156 O THR A 75 5.155 3.181 4.473 1.00 0.00 O ATOM 1157 CB THR A 75 4.243 5.971 5.007 1.00 0.00 C ATOM 1158 OG1 THR A 75 4.085 7.133 5.816 1.00 0.00 O ATOM 1159 CG2 THR A 75 2.969 5.163 5.263 1.00 0.00 C ATOM 0 H THR A 75 6.422 6.157 3.907 1.00 0.00 H new ATOM 0 HA THR A 75 5.570 5.548 6.627 1.00 0.00 H new ATOM 0 HB THR A 75 4.367 6.124 3.935 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.163 7.457 5.747 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.113 5.691 4.843 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.058 4.184 4.793 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.827 5.038 6.336 1.00 0.00 H new ATOM 1167 N LYS A 76 5.673 3.154 6.674 1.00 0.00 N ATOM 1168 CA LYS A 76 5.644 1.705 6.777 1.00 0.00 C ATOM 1169 C LYS A 76 4.216 1.248 7.082 1.00 0.00 C ATOM 1170 O LYS A 76 3.793 1.250 8.237 1.00 0.00 O ATOM 1171 CB LYS A 76 6.676 1.220 7.797 1.00 0.00 C ATOM 1172 CG LYS A 76 8.085 1.676 7.412 1.00 0.00 C ATOM 1173 CD LYS A 76 9.053 1.517 8.585 1.00 0.00 C ATOM 1174 CE LYS A 76 9.596 0.088 8.658 1.00 0.00 C ATOM 1175 NZ LYS A 76 10.770 -0.066 7.770 1.00 0.00 N ATOM 0 H LYS A 76 5.896 3.639 7.543 1.00 0.00 H new ATOM 0 HA LYS A 76 5.929 1.250 5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.423 1.604 8.786 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.647 0.132 7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.440 1.093 6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.060 2.719 7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.880 2.219 8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.545 1.765 9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.875 -0.149 9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.818 -0.618 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.550 -0.505 8.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.517 -0.670 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.069 0.868 7.424 1.00 0.00 H new ATOM 1189 N ILE A 77 3.512 0.868 6.026 1.00 0.00 N ATOM 1190 CA ILE A 77 2.141 0.409 6.166 1.00 0.00 C ATOM 1191 C ILE A 77 2.122 -1.120 6.223 1.00 0.00 C ATOM 1192 O ILE A 77 3.142 -1.766 5.990 1.00 0.00 O ATOM 1193 CB ILE A 77 1.264 0.994 5.057 1.00 0.00 C ATOM 1194 CG1 ILE A 77 1.492 0.260 3.734 1.00 0.00 C ATOM 1195 CG2 ILE A 77 1.485 2.502 4.921 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.462 -0.856 3.541 1.00 0.00 C ATOM 0 H ILE A 77 3.866 0.869 5.069 1.00 0.00 H new ATOM 0 HA ILE A 77 1.713 0.768 7.102 1.00 0.00 H new ATOM 0 HB ILE A 77 0.220 0.845 5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.427 0.966 2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.497 -0.161 3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.850 2.893 4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.233 2.993 5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.530 2.696 4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.647 -1.362 2.593 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.546 -1.573 4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.541 -0.429 3.535 1.00 0.00 H new ATOM 1208 N MET A 78 0.950 -1.654 6.535 1.00 0.00 N ATOM 1209 CA MET A 78 0.785 -3.095 6.626 1.00 0.00 C ATOM 1210 C MET A 78 -0.142 -3.611 5.524 1.00 0.00 C ATOM 1211 O MET A 78 -1.057 -2.908 5.098 1.00 0.00 O ATOM 1212 CB MET A 78 0.204 -3.457 7.994 1.00 0.00 C ATOM 1213 CG MET A 78 0.988 -4.603 8.637 1.00 0.00 C ATOM 1214 SD MET A 78 1.370 -4.204 10.334 1.00 0.00 S ATOM 1215 CE MET A 78 1.215 -5.820 11.075 1.00 0.00 C ATOM 0 H MET A 78 0.106 -1.115 6.728 1.00 0.00 H new ATOM 0 HA MET A 78 1.762 -3.563 6.501 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.229 -2.584 8.646 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.842 -3.744 7.885 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.405 -5.523 8.593 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.908 -4.782 8.081 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.422 -5.752 12.143 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.202 -6.193 10.925 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.926 -6.503 10.610 1.00 0.00 H new ATOM 1225 N MET A 79 0.127 -4.835 5.094 1.00 0.00 N ATOM 1226 CA MET A 79 -0.672 -5.453 4.050 1.00 0.00 C ATOM 1227 C MET A 79 -1.235 -6.798 4.514 1.00 0.00 C ATOM 1228 O MET A 79 -0.504 -7.630 5.050 1.00 0.00 O ATOM 1229 CB MET A 79 0.190 -5.663 2.804 1.00 0.00 C ATOM 1230 CG MET A 79 -0.674 -5.715 1.542 1.00 0.00 C ATOM 1231 SD MET A 79 0.238 -6.476 0.209 1.00 0.00 S ATOM 1232 CE MET A 79 -0.293 -8.170 0.399 1.00 0.00 C ATOM 0 H MET A 79 0.887 -5.415 5.450 1.00 0.00 H new ATOM 0 HA MET A 79 -1.507 -4.792 3.818 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.916 -4.854 2.719 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.755 -6.590 2.900 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.586 -6.279 1.738 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.978 -4.708 1.257 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.540 -8.839 0.184 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.634 -8.332 1.422 1.00 0.00 H new ATOM 0 HE3 MET A 79 -1.110 -8.375 -0.293 1.00 0.00 H new ATOM 1242 N MET A 80 -2.530 -6.970 4.292 1.00 0.00 N ATOM 1243 CA MET A 80 -3.199 -8.200 4.680 1.00 0.00 C ATOM 1244 C MET A 80 -3.995 -8.785 3.512 1.00 0.00 C ATOM 1245 O MET A 80 -4.392 -8.058 2.602 1.00 0.00 O ATOM 1246 CB MET A 80 -4.143 -7.920 5.852 1.00 0.00 C ATOM 1247 CG MET A 80 -3.396 -7.984 7.185 1.00 0.00 C ATOM 1248 SD MET A 80 -4.323 -8.958 8.359 1.00 0.00 S ATOM 1249 CE MET A 80 -5.897 -8.117 8.284 1.00 0.00 C ATOM 0 H MET A 80 -3.134 -6.278 3.848 1.00 0.00 H new ATOM 0 HA MET A 80 -2.441 -8.925 4.977 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.596 -6.936 5.732 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.955 -8.647 5.851 1.00 0.00 H new ATOM 0 HG2 MET A 80 -2.408 -8.421 7.037 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.244 -6.977 7.575 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.376 -8.153 9.263 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.741 -7.078 7.994 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.536 -8.607 7.549 1.00 0.00 H new ATOM 1259 N GLY A 81 -4.205 -10.091 3.575 1.00 0.00 N ATOM 1260 CA GLY A 81 -4.946 -10.781 2.533 1.00 0.00 C ATOM 1261 C GLY A 81 -4.276 -12.108 2.170 1.00 0.00 C ATOM 1262 O GLY A 81 -3.234 -12.454 2.725 1.00 0.00 O ATOM 0 H GLY A 81 -3.875 -10.690 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.967 -10.965 2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.011 -10.148 1.648 1.00 0.00 H new ATOM 1266 N THR A 82 -4.901 -12.816 1.241 1.00 0.00 N ATOM 1267 CA THR A 82 -4.379 -14.097 0.798 1.00 0.00 C ATOM 1268 C THR A 82 -4.313 -14.146 -0.730 1.00 0.00 C ATOM 1269 O THR A 82 -5.132 -13.530 -1.410 1.00 0.00 O ATOM 1270 CB THR A 82 -5.250 -15.199 1.405 1.00 0.00 C ATOM 1271 OG1 THR A 82 -6.583 -14.776 1.132 1.00 0.00 O ATOM 1272 CG2 THR A 82 -5.174 -15.230 2.932 1.00 0.00 C ATOM 0 H THR A 82 -5.765 -12.526 0.783 1.00 0.00 H new ATOM 0 HA THR A 82 -3.355 -14.247 1.141 1.00 0.00 H new ATOM 0 HB THR A 82 -4.943 -16.166 1.007 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.215 -15.434 1.490 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.810 -16.030 3.312 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.144 -15.408 3.242 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.514 -14.275 3.333 1.00 0.00 H new ATOM 1280 N ARG A 83 -3.332 -14.886 -1.225 1.00 0.00 N ATOM 1281 CA ARG A 83 -3.149 -15.024 -2.660 1.00 0.00 C ATOM 1282 C ARG A 83 -3.860 -16.280 -3.167 1.00 0.00 C ATOM 1283 O ARG A 83 -4.008 -17.255 -2.431 1.00 0.00 O ATOM 1284 CB ARG A 83 -1.664 -15.107 -3.020 1.00 0.00 C ATOM 1285 CG ARG A 83 -1.068 -16.448 -2.587 1.00 0.00 C ATOM 1286 CD ARG A 83 0.458 -16.373 -2.517 1.00 0.00 C ATOM 1287 NE ARG A 83 0.912 -16.579 -1.124 1.00 0.00 N ATOM 1288 CZ ARG A 83 0.874 -17.757 -0.488 1.00 0.00 C ATOM 1289 NH1 ARG A 83 0.403 -18.843 -1.116 1.00 0.00 N ATOM 1290 NH2 ARG A 83 1.307 -17.851 0.777 1.00 0.00 N ATOM 0 H ARG A 83 -2.655 -15.397 -0.658 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.578 -14.142 -3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.539 -14.980 -4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.123 -14.292 -2.538 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.467 -16.729 -1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.365 -17.226 -3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.898 -17.130 -3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.800 -15.404 -2.880 1.00 0.00 H new ATOM 0 HE ARG A 83 1.277 -15.773 -0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.073 -18.773 -2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.374 -19.740 -0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.666 -17.025 1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.278 -18.749 1.261 1.00 0.00 H new ATOM 1304 N GLU A 84 -4.283 -16.216 -4.421 1.00 0.00 N ATOM 1305 CA GLU A 84 -4.975 -17.336 -5.035 1.00 0.00 C ATOM 1306 C GLU A 84 -6.397 -17.450 -4.480 1.00 0.00 C ATOM 1307 O GLU A 84 -6.654 -17.069 -3.339 1.00 0.00 O ATOM 1308 CB GLU A 84 -4.200 -18.639 -4.830 1.00 0.00 C ATOM 1309 CG GLU A 84 -4.063 -19.408 -6.146 1.00 0.00 C ATOM 1310 CD GLU A 84 -3.121 -20.603 -5.987 1.00 0.00 C ATOM 1311 OE1 GLU A 84 -1.898 -20.356 -5.914 1.00 0.00 O ATOM 1312 OE2 GLU A 84 -3.645 -21.737 -5.942 1.00 0.00 O ATOM 0 H GLU A 84 -4.160 -15.406 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.038 -17.155 -6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.211 -18.419 -4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.712 -19.259 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.044 -19.754 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.685 -18.743 -6.922 1.00 0.00 H new ATOM 1319 N SER A 85 -7.282 -17.977 -5.313 1.00 0.00 N ATOM 1320 CA SER A 85 -8.671 -18.146 -4.920 1.00 0.00 C ATOM 1321 C SER A 85 -9.417 -18.968 -5.974 1.00 0.00 C ATOM 1322 O SER A 85 -10.008 -19.999 -5.658 1.00 0.00 O ATOM 1323 CB SER A 85 -9.356 -16.792 -4.720 1.00 0.00 C ATOM 1324 OG SER A 85 -10.598 -16.919 -4.034 1.00 0.00 O ATOM 0 H SER A 85 -7.065 -18.293 -6.258 1.00 0.00 H new ATOM 0 HA SER A 85 -8.695 -18.679 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.697 -16.132 -4.157 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.524 -16.324 -5.690 1.00 0.00 H new ATOM 0 HG SER A 85 -11.003 -16.033 -3.924 1.00 0.00 H new ATOM 1330 N GLY A 86 -9.365 -18.479 -7.204 1.00 0.00 N ATOM 1331 CA GLY A 86 -10.028 -19.156 -8.306 1.00 0.00 C ATOM 1332 C GLY A 86 -11.113 -18.269 -8.921 1.00 0.00 C ATOM 1333 O GLY A 86 -11.760 -17.495 -8.216 1.00 0.00 O ATOM 0 H GLY A 86 -8.874 -17.623 -7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.295 -19.422 -9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.471 -20.087 -7.952 1.00 0.00 H new ATOM 1337 N PRO A 87 -11.282 -18.414 -10.262 1.00 0.00 N ATOM 1338 CA PRO A 87 -12.277 -17.635 -10.979 1.00 0.00 C ATOM 1339 C PRO A 87 -13.687 -18.164 -10.709 1.00 0.00 C ATOM 1340 O PRO A 87 -13.877 -19.364 -10.517 1.00 0.00 O ATOM 1341 CB PRO A 87 -11.876 -17.734 -12.442 1.00 0.00 C ATOM 1342 CG PRO A 87 -10.951 -18.937 -12.539 1.00 0.00 C ATOM 1343 CD PRO A 87 -10.534 -19.319 -11.128 1.00 0.00 C ATOM 0 HA PRO A 87 -12.307 -16.594 -10.658 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -12.751 -17.862 -13.079 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.372 -16.826 -12.771 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -11.458 -19.770 -13.026 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.076 -18.698 -13.144 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -10.773 -20.360 -10.913 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -9.459 -19.203 -10.988 1.00 0.00 H new ATOM 1351 N SER A 88 -14.640 -17.243 -10.704 1.00 0.00 N ATOM 1352 CA SER A 88 -16.026 -17.602 -10.460 1.00 0.00 C ATOM 1353 C SER A 88 -16.552 -18.466 -11.608 1.00 0.00 C ATOM 1354 O SER A 88 -16.589 -18.025 -12.756 1.00 0.00 O ATOM 1355 CB SER A 88 -16.897 -16.355 -10.292 1.00 0.00 C ATOM 1356 OG SER A 88 -16.769 -15.787 -8.992 1.00 0.00 O ATOM 0 H SER A 88 -14.479 -16.249 -10.865 1.00 0.00 H new ATOM 0 HA SER A 88 -16.073 -18.173 -9.532 1.00 0.00 H new ATOM 0 HB2 SER A 88 -16.618 -15.614 -11.041 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.940 -16.614 -10.474 1.00 0.00 H new ATOM 0 HG SER A 88 -17.339 -14.992 -8.925 1.00 0.00 H new ATOM 1362 N SER A 89 -16.948 -19.682 -11.259 1.00 0.00 N ATOM 1363 CA SER A 89 -17.470 -20.611 -12.246 1.00 0.00 C ATOM 1364 C SER A 89 -16.403 -20.907 -13.302 1.00 0.00 C ATOM 1365 O SER A 89 -15.415 -20.184 -13.411 1.00 0.00 O ATOM 1366 CB SER A 89 -18.734 -20.058 -12.909 1.00 0.00 C ATOM 1367 OG SER A 89 -19.315 -20.993 -13.814 1.00 0.00 O ATOM 0 H SER A 89 -16.918 -20.045 -10.306 1.00 0.00 H new ATOM 0 HA SER A 89 -17.735 -21.538 -11.737 1.00 0.00 H new ATOM 0 HB2 SER A 89 -19.462 -19.797 -12.141 1.00 0.00 H new ATOM 0 HB3 SER A 89 -18.491 -19.139 -13.443 1.00 0.00 H new ATOM 0 HG SER A 89 -20.120 -20.603 -14.215 1.00 0.00 H new ATOM 1373 N GLY A 90 -16.640 -21.972 -14.054 1.00 0.00 N ATOM 1374 CA GLY A 90 -15.712 -22.373 -15.098 1.00 0.00 C ATOM 1375 C GLY A 90 -16.384 -22.337 -16.472 1.00 0.00 C ATOM 1376 O GLY A 90 -16.377 -23.332 -17.196 1.00 0.00 O ATOM 0 H GLY A 90 -17.461 -22.570 -13.961 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.847 -21.710 -15.095 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.344 -23.379 -14.896 1.00 0.00 H new TER 1380 GLY A 90