USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 751 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 Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0889 X(o=-0.089,f=-0.061) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -93:sc= 0.024 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -110:sc= -1.78 (180deg=-3.79!) USER MOD Single : A 16 ASN : amide:sc= -0.0425 X(o=-0.043,f=-0.043) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -0.0173 (180deg=-0.142) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.275 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 31 LYS NZ :NH3+ -149:sc= -0.124 (180deg=-0.923) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.034) USER MOD Single : A 45 THR OG1 : rot 61:sc= 0.327 USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= -0.0415 (180deg=-0.0572) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 165:sc= -0.0204 USER MOD Single : A 55 HIS : no HD1:sc= -0.855 X(o=-0.85,f=-0.66) USER MOD Single : A 56 TYR OH : rot 178:sc= -0.676 USER MOD Single : A 58 ASN : amide:sc= -0.245 X(o=-0.24,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0979 USER MOD Single : A 73 ASN : amide:sc= -0.0928 X(o=-0.093,f=-0.15) USER MOD Single : A 76 LYS NZ :NH3+ 162:sc= -0.0236 (180deg=-0.188) USER MOD Single : A 80 TYR OH : rot 36:sc= 1.21 USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= -0.273 (180deg=-0.301) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0286 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 33.164 -0.836 -15.599 1.00 0.00 N ATOM 2 CA GLY A -2 32.246 0.187 -16.064 1.00 0.00 C ATOM 3 C GLY A -2 32.050 1.296 -15.049 1.00 0.00 C ATOM 4 O GLY A -2 32.173 1.072 -13.845 1.00 0.00 O ATOM 0 H1 GLY A -2 34.126 -0.614 -15.926 1.00 0.00 H new ATOM 0 H2 GLY A -2 33.150 -0.868 -14.560 1.00 0.00 H new ATOM 0 H3 GLY A -2 32.875 -1.760 -15.978 1.00 0.00 H new ATOM 0 HA2 GLY A -2 32.622 0.613 -16.994 1.00 0.00 H new ATOM 0 HA3 GLY A -2 31.282 -0.269 -16.289 1.00 0.00 H new ATOM 8 N SER A -1 31.746 2.495 -15.535 1.00 0.00 N ATOM 9 CA SER A -1 31.538 3.644 -14.662 1.00 0.00 C ATOM 10 C SER A -1 30.580 4.645 -15.300 1.00 0.00 C ATOM 11 O SER A -1 30.919 5.306 -16.283 1.00 0.00 O ATOM 12 CB SER A -1 32.873 4.324 -14.352 1.00 0.00 C ATOM 13 OG SER A -1 32.678 5.664 -13.936 1.00 0.00 O ATOM 0 H SER A -1 31.638 2.696 -16.529 1.00 0.00 H new ATOM 0 HA SER A -1 31.096 3.287 -13.732 1.00 0.00 H new ATOM 0 HB2 SER A -1 33.394 3.770 -13.572 1.00 0.00 H new ATOM 0 HB3 SER A -1 33.509 4.303 -15.237 1.00 0.00 H new ATOM 0 HG SER A -1 33.546 6.076 -13.742 1.00 0.00 H new ATOM 19 N HIS A 0 29.382 4.751 -14.734 1.00 0.00 N ATOM 20 CA HIS A 0 28.374 5.672 -15.247 1.00 0.00 C ATOM 21 C HIS A 0 27.846 6.574 -14.135 1.00 0.00 C ATOM 22 O HIS A 0 27.766 6.165 -12.977 1.00 0.00 O ATOM 23 CB HIS A 0 27.220 4.896 -15.882 1.00 0.00 C ATOM 24 CG HIS A 0 27.574 4.259 -17.190 1.00 0.00 C ATOM 25 ND1 HIS A 0 27.488 4.920 -18.397 1.00 0.00 N ATOM 26 CD2 HIS A 0 28.020 3.013 -17.476 1.00 0.00 C ATOM 27 CE1 HIS A 0 27.863 4.108 -19.369 1.00 0.00 C ATOM 28 NE2 HIS A 0 28.192 2.945 -18.837 1.00 0.00 N ATOM 0 H HIS A 0 29.086 4.211 -13.921 1.00 0.00 H new ATOM 0 HA HIS A 0 28.842 6.298 -16.007 1.00 0.00 H new ATOM 0 HB2 HIS A 0 26.888 4.123 -15.189 1.00 0.00 H new ATOM 0 HB3 HIS A 0 26.378 5.572 -16.033 1.00 0.00 H new ATOM 0 HD2 HIS A 0 28.206 2.220 -16.766 1.00 0.00 H new ATOM 0 HE1 HIS A 0 27.895 4.354 -20.420 1.00 0.00 H new ATOM 0 HE2 HIS A 0 28.521 2.129 -19.353 1.00 0.00 H new ATOM 36 N MET A 1 27.488 7.802 -14.495 1.00 0.00 N ATOM 37 CA MET A 1 26.967 8.760 -13.527 1.00 0.00 C ATOM 38 C MET A 1 25.461 8.940 -13.695 1.00 0.00 C ATOM 39 O MET A 1 24.952 10.059 -13.652 1.00 0.00 O ATOM 40 CB MET A 1 27.673 10.108 -13.682 1.00 0.00 C ATOM 41 CG MET A 1 29.141 10.074 -13.288 1.00 0.00 C ATOM 42 SD MET A 1 29.866 11.721 -13.164 1.00 0.00 S ATOM 43 CE MET A 1 30.030 12.150 -14.896 1.00 0.00 C ATOM 0 H MET A 1 27.549 8.157 -15.449 1.00 0.00 H new ATOM 0 HA MET A 1 27.159 8.369 -12.528 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.591 10.435 -14.719 1.00 0.00 H new ATOM 0 HB3 MET A 1 27.159 10.851 -13.072 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.244 9.563 -12.331 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.697 9.491 -14.022 1.00 0.00 H new ATOM 0 HE1 MET A 1 30.466 13.145 -14.985 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.677 11.425 -15.391 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.047 12.141 -15.368 1.00 0.00 H new ATOM 53 N SER A 2 24.756 7.830 -13.888 1.00 0.00 N ATOM 54 CA SER A 2 23.309 7.865 -14.067 1.00 0.00 C ATOM 55 C SER A 2 22.634 8.573 -12.895 1.00 0.00 C ATOM 56 O SER A 2 22.958 8.323 -11.734 1.00 0.00 O ATOM 57 CB SER A 2 22.756 6.446 -14.207 1.00 0.00 C ATOM 58 OG SER A 2 23.168 5.857 -15.428 1.00 0.00 O ATOM 0 H SER A 2 25.163 6.895 -13.924 1.00 0.00 H new ATOM 0 HA SER A 2 23.094 8.422 -14.979 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.097 5.835 -13.371 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.667 6.470 -14.160 1.00 0.00 H new ATOM 0 HG SER A 2 22.803 4.950 -15.493 1.00 0.00 H new ATOM 64 N HIS A 3 21.693 9.458 -13.209 1.00 0.00 N ATOM 65 CA HIS A 3 20.971 10.202 -12.184 1.00 0.00 C ATOM 66 C HIS A 3 19.479 9.887 -12.234 1.00 0.00 C ATOM 67 O HIS A 3 18.862 9.923 -13.299 1.00 0.00 O ATOM 68 CB HIS A 3 21.193 11.704 -12.362 1.00 0.00 C ATOM 69 CG HIS A 3 20.871 12.198 -13.739 1.00 0.00 C ATOM 70 ND1 HIS A 3 19.659 12.769 -14.069 1.00 0.00 N ATOM 71 CD2 HIS A 3 21.610 12.206 -14.873 1.00 0.00 C ATOM 72 CE1 HIS A 3 19.667 13.105 -15.347 1.00 0.00 C ATOM 73 NE2 HIS A 3 20.840 12.775 -15.857 1.00 0.00 N ATOM 0 H HIS A 3 21.413 9.677 -14.165 1.00 0.00 H new ATOM 0 HA HIS A 3 21.356 9.899 -11.211 1.00 0.00 H new ATOM 0 HB2 HIS A 3 20.579 12.242 -11.639 1.00 0.00 H new ATOM 0 HB3 HIS A 3 22.233 11.939 -12.135 1.00 0.00 H new ATOM 0 HD2 HIS A 3 22.618 11.834 -14.983 1.00 0.00 H new ATOM 0 HE1 HIS A 3 18.853 13.570 -15.883 1.00 0.00 H new ATOM 0 HE2 HIS A 3 21.127 12.920 -16.825 1.00 0.00 H new ATOM 81 N ASP A 4 18.905 9.579 -11.076 1.00 0.00 N ATOM 82 CA ASP A 4 17.486 9.259 -10.987 1.00 0.00 C ATOM 83 C ASP A 4 16.697 10.434 -10.418 1.00 0.00 C ATOM 84 O ASP A 4 15.995 11.134 -11.146 1.00 0.00 O ATOM 85 CB ASP A 4 17.275 8.018 -10.117 1.00 0.00 C ATOM 86 CG ASP A 4 17.837 6.762 -10.753 1.00 0.00 C ATOM 87 OD1 ASP A 4 17.341 6.369 -11.830 1.00 0.00 O ATOM 88 OD2 ASP A 4 18.775 6.174 -10.175 1.00 0.00 O ATOM 0 H ASP A 4 19.401 9.544 -10.186 1.00 0.00 H new ATOM 0 HA ASP A 4 17.122 9.055 -11.994 1.00 0.00 H new ATOM 0 HB2 ASP A 4 17.748 8.173 -9.147 1.00 0.00 H new ATOM 0 HB3 ASP A 4 16.209 7.883 -9.934 1.00 0.00 H new ATOM 93 N GLY A 5 16.818 10.644 -9.111 1.00 0.00 N ATOM 94 CA GLY A 5 16.110 11.735 -8.466 1.00 0.00 C ATOM 95 C GLY A 5 17.009 12.555 -7.562 1.00 0.00 C ATOM 96 O GLY A 5 18.111 12.129 -7.217 1.00 0.00 O ATOM 0 H GLY A 5 17.393 10.078 -8.487 1.00 0.00 H new ATOM 0 HA2 GLY A 5 15.677 12.383 -9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 5 15.283 11.332 -7.882 1.00 0.00 H new ATOM 100 N LYS A 6 16.540 13.738 -7.179 1.00 0.00 N ATOM 101 CA LYS A 6 17.308 14.621 -6.310 1.00 0.00 C ATOM 102 C LYS A 6 16.670 14.714 -4.928 1.00 0.00 C ATOM 103 O LYS A 6 15.533 15.164 -4.788 1.00 0.00 O ATOM 104 CB LYS A 6 17.411 16.017 -6.930 1.00 0.00 C ATOM 105 CG LYS A 6 18.405 16.923 -6.225 1.00 0.00 C ATOM 106 CD LYS A 6 19.820 16.702 -6.734 1.00 0.00 C ATOM 107 CE LYS A 6 20.854 17.078 -5.684 1.00 0.00 C ATOM 108 NZ LYS A 6 22.232 16.697 -6.102 1.00 0.00 N ATOM 0 H LYS A 6 15.631 14.107 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 6 18.309 14.203 -6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.699 15.920 -7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.428 16.487 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.121 17.964 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.370 16.737 -5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.948 15.656 -7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.981 17.295 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.813 18.152 -5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.611 16.586 -4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.908 16.970 -5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.278 15.669 -6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.474 17.186 -6.987 1.00 0.00 H new ATOM 122 N GLU A 7 17.410 14.287 -3.909 1.00 0.00 N ATOM 123 CA GLU A 7 16.915 14.324 -2.538 1.00 0.00 C ATOM 124 C GLU A 7 17.664 15.369 -1.717 1.00 0.00 C ATOM 125 O GLU A 7 18.871 15.549 -1.876 1.00 0.00 O ATOM 126 CB GLU A 7 17.057 12.948 -1.884 1.00 0.00 C ATOM 127 CG GLU A 7 16.006 12.666 -0.824 1.00 0.00 C ATOM 128 CD GLU A 7 14.626 12.450 -1.413 1.00 0.00 C ATOM 129 OE1 GLU A 7 14.423 11.417 -2.085 1.00 0.00 O ATOM 130 OE2 GLU A 7 13.749 13.314 -1.204 1.00 0.00 O ATOM 0 H GLU A 7 18.353 13.912 -4.007 1.00 0.00 H new ATOM 0 HA GLU A 7 15.860 14.598 -2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.997 12.181 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.046 12.870 -1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.297 11.782 -0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.971 13.499 -0.122 1.00 0.00 H new ATOM 137 N GLU A 8 16.939 16.055 -0.839 1.00 0.00 N ATOM 138 CA GLU A 8 17.535 17.083 0.007 1.00 0.00 C ATOM 139 C GLU A 8 17.150 16.876 1.469 1.00 0.00 C ATOM 140 O GLU A 8 16.177 16.194 1.790 1.00 0.00 O ATOM 141 CB GLU A 8 17.096 18.473 -0.456 1.00 0.00 C ATOM 142 CG GLU A 8 18.017 19.088 -1.496 1.00 0.00 C ATOM 143 CD GLU A 8 17.801 18.511 -2.882 1.00 0.00 C ATOM 144 OE1 GLU A 8 16.728 17.914 -3.114 1.00 0.00 O ATOM 145 OE2 GLU A 8 18.703 18.654 -3.733 1.00 0.00 O ATOM 0 H GLU A 8 15.939 15.918 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 8 18.619 17.005 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.089 18.408 -0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 8 17.045 19.135 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.856 20.166 -1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 8 19.053 18.929 -1.198 1.00 0.00 H new ATOM 152 N PRO A 9 17.931 17.479 2.377 1.00 0.00 N ATOM 153 CA PRO A 9 17.692 17.376 3.820 1.00 0.00 C ATOM 154 C PRO A 9 16.439 18.128 4.255 1.00 0.00 C ATOM 155 O PRO A 9 15.747 18.727 3.433 1.00 0.00 O ATOM 156 CB PRO A 9 18.940 18.016 4.432 1.00 0.00 C ATOM 157 CG PRO A 9 19.441 18.949 3.384 1.00 0.00 C ATOM 158 CD PRO A 9 19.108 18.307 2.066 1.00 0.00 C ATOM 0 HA PRO A 9 17.527 16.345 4.134 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.701 18.547 5.353 1.00 0.00 H new ATOM 0 HB3 PRO A 9 19.688 17.264 4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.967 19.927 3.473 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.515 19.105 3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 9 18.885 19.051 1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.936 17.704 1.692 1.00 0.00 H new ATOM 166 N GLY A 10 16.154 18.092 5.553 1.00 0.00 N ATOM 167 CA GLY A 10 14.984 18.775 6.074 1.00 0.00 C ATOM 168 C GLY A 10 13.712 17.972 5.885 1.00 0.00 C ATOM 169 O GLY A 10 13.275 17.747 4.756 1.00 0.00 O ATOM 0 H GLY A 10 16.712 17.603 6.253 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.128 18.978 7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.879 19.739 5.577 1.00 0.00 H new ATOM 173 N ILE A 11 13.118 17.539 6.991 1.00 0.00 N ATOM 174 CA ILE A 11 11.889 16.757 6.942 1.00 0.00 C ATOM 175 C ILE A 11 10.670 17.629 7.225 1.00 0.00 C ATOM 176 O ILE A 11 10.548 18.211 8.302 1.00 0.00 O ATOM 177 CB ILE A 11 11.920 15.594 7.951 1.00 0.00 C ATOM 178 CG1 ILE A 11 13.174 14.742 7.742 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.666 14.743 7.818 1.00 0.00 C ATOM 180 CD1 ILE A 11 14.370 15.221 8.535 1.00 0.00 C ATOM 0 H ILE A 11 13.468 17.716 7.933 1.00 0.00 H new ATOM 0 HA ILE A 11 11.815 16.350 5.934 1.00 0.00 H new ATOM 0 HB ILE A 11 11.949 16.008 8.959 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.953 13.711 8.020 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.429 14.739 6.682 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.703 13.925 8.538 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.787 15.358 8.012 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.608 14.335 6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.222 14.570 8.338 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.617 16.241 8.241 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.134 15.197 9.599 1.00 0.00 H new ATOM 192 N ALA A 12 9.769 17.711 6.251 1.00 0.00 N ATOM 193 CA ALA A 12 8.558 18.509 6.397 1.00 0.00 C ATOM 194 C ALA A 12 7.356 17.627 6.717 1.00 0.00 C ATOM 195 O ALA A 12 6.971 16.770 5.921 1.00 0.00 O ATOM 196 CB ALA A 12 8.302 19.316 5.133 1.00 0.00 C ATOM 0 H ALA A 12 9.855 17.235 5.353 1.00 0.00 H new ATOM 0 HA ALA A 12 8.703 19.197 7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.395 19.907 5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.146 19.981 4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.182 18.639 4.287 1.00 0.00 H new ATOM 202 N LYS A 13 6.765 17.841 7.888 1.00 0.00 N ATOM 203 CA LYS A 13 5.606 17.066 8.314 1.00 0.00 C ATOM 204 C LYS A 13 4.517 17.978 8.870 1.00 0.00 C ATOM 205 O LYS A 13 4.805 19.026 9.449 1.00 0.00 O ATOM 206 CB LYS A 13 6.014 16.039 9.372 1.00 0.00 C ATOM 207 CG LYS A 13 6.284 16.646 10.738 1.00 0.00 C ATOM 208 CD LYS A 13 6.778 15.602 11.725 1.00 0.00 C ATOM 209 CE LYS A 13 8.173 15.113 11.367 1.00 0.00 C ATOM 210 NZ LYS A 13 8.858 14.488 12.532 1.00 0.00 N ATOM 0 H LYS A 13 7.070 18.546 8.559 1.00 0.00 H new ATOM 0 HA LYS A 13 5.210 16.544 7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.225 15.293 9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.908 15.516 9.033 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.026 17.439 10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.372 17.106 11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.786 16.025 12.730 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.088 14.758 11.740 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.107 14.390 10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.768 15.950 11.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.806 14.168 12.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.944 15.185 13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.303 13.674 12.865 1.00 0.00 H new ATOM 224 N LYS A 14 3.264 17.573 8.691 1.00 0.00 N ATOM 225 CA LYS A 14 2.131 18.352 9.176 1.00 0.00 C ATOM 226 C LYS A 14 1.612 17.792 10.497 1.00 0.00 C ATOM 227 O LYS A 14 1.048 16.698 10.539 1.00 0.00 O ATOM 228 CB LYS A 14 1.008 18.359 8.137 1.00 0.00 C ATOM 229 CG LYS A 14 1.124 19.484 7.124 1.00 0.00 C ATOM 230 CD LYS A 14 0.236 20.661 7.494 1.00 0.00 C ATOM 231 CE LYS A 14 -0.462 21.238 6.272 1.00 0.00 C ATOM 232 NZ LYS A 14 0.400 22.213 5.549 1.00 0.00 N ATOM 0 H LYS A 14 3.008 16.709 8.213 1.00 0.00 H new ATOM 0 HA LYS A 14 2.470 19.375 9.342 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.006 17.405 7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.050 18.441 8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.161 19.814 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.848 19.115 6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.509 20.341 8.223 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.837 21.436 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.740 20.429 5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.386 21.728 6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.018 23.172 5.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.366 22.173 5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.419 21.975 4.537 1.00 0.00 H new ATOM 246 N ILE A 15 1.806 18.548 11.572 1.00 0.00 N ATOM 247 CA ILE A 15 1.355 18.128 12.893 1.00 0.00 C ATOM 248 C ILE A 15 0.132 18.925 13.336 1.00 0.00 C ATOM 249 O ILE A 15 -0.240 19.912 12.704 1.00 0.00 O ATOM 250 CB ILE A 15 2.467 18.289 13.945 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.924 19.747 14.017 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.640 17.376 13.620 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.244 20.212 15.421 1.00 0.00 C ATOM 0 H ILE A 15 2.273 19.455 11.554 1.00 0.00 H new ATOM 0 HA ILE A 15 1.090 17.074 12.815 1.00 0.00 H new ATOM 0 HB ILE A 15 2.069 18.004 14.919 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.807 19.874 13.391 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.144 20.385 13.601 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.418 17.501 14.373 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.304 16.339 13.615 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.040 17.632 12.639 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.561 21.255 15.396 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.356 20.118 16.047 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.045 19.599 15.834 1.00 0.00 H new ATOM 265 N ASN A 16 -0.488 18.489 14.428 1.00 0.00 N ATOM 266 CA ASN A 16 -1.668 19.163 14.957 1.00 0.00 C ATOM 267 C ASN A 16 -1.590 19.284 16.475 1.00 0.00 C ATOM 268 O ASN A 16 -2.605 19.470 17.146 1.00 0.00 O ATOM 269 CB ASN A 16 -2.935 18.403 14.559 1.00 0.00 C ATOM 270 CG ASN A 16 -3.147 18.378 13.057 1.00 0.00 C ATOM 271 OD1 ASN A 16 -3.080 17.323 12.427 1.00 0.00 O ATOM 272 ND2 ASN A 16 -3.404 19.545 12.476 1.00 0.00 N ATOM 0 H ASN A 16 -0.193 17.672 14.963 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.705 20.166 14.532 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.874 17.380 14.932 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.798 18.866 15.037 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.555 19.591 11.468 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.450 20.395 13.038 1.00 0.00 H new ATOM 279 N SER A 17 -0.378 19.177 17.011 1.00 0.00 N ATOM 280 CA SER A 17 -0.168 19.271 18.451 1.00 0.00 C ATOM 281 C SER A 17 1.098 20.063 18.764 1.00 0.00 C ATOM 282 O SER A 17 2.184 19.735 18.286 1.00 0.00 O ATOM 283 CB SER A 17 -0.074 17.874 19.066 1.00 0.00 C ATOM 284 OG SER A 17 -1.108 17.034 18.585 1.00 0.00 O ATOM 0 H SER A 17 0.473 19.025 16.470 1.00 0.00 H new ATOM 0 HA SER A 17 -1.020 19.794 18.885 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.895 17.434 18.830 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.136 17.946 20.152 1.00 0.00 H new ATOM 0 HG SER A 17 -1.025 16.147 18.992 1.00 0.00 H new ATOM 290 N VAL A 18 0.949 21.109 19.571 1.00 0.00 N ATOM 291 CA VAL A 18 2.080 21.949 19.950 1.00 0.00 C ATOM 292 C VAL A 18 3.055 21.188 20.840 1.00 0.00 C ATOM 293 O VAL A 18 4.203 21.598 21.014 1.00 0.00 O ATOM 294 CB VAL A 18 1.613 23.219 20.686 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.586 23.972 19.854 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.047 22.864 22.053 1.00 0.00 C ATOM 0 H VAL A 18 0.057 21.395 19.975 1.00 0.00 H new ATOM 0 HA VAL A 18 2.584 22.237 19.028 1.00 0.00 H new ATOM 0 HB VAL A 18 2.474 23.871 20.832 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.268 24.866 20.390 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.030 24.259 18.901 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.277 23.331 19.674 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.722 23.773 22.559 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.197 22.192 21.932 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.816 22.372 22.649 1.00 0.00 H new ATOM 306 N ASP A 19 2.592 20.077 21.401 1.00 0.00 N ATOM 307 CA ASP A 19 3.425 19.256 22.273 1.00 0.00 C ATOM 308 C ASP A 19 4.648 18.736 21.525 1.00 0.00 C ATOM 309 O ASP A 19 5.744 18.664 22.081 1.00 0.00 O ATOM 310 CB ASP A 19 2.616 18.083 22.830 1.00 0.00 C ATOM 311 CG ASP A 19 3.442 17.187 23.732 1.00 0.00 C ATOM 312 OD1 ASP A 19 4.516 17.632 24.187 1.00 0.00 O ATOM 313 OD2 ASP A 19 3.014 16.040 23.982 1.00 0.00 O ATOM 0 H ASP A 19 1.644 19.724 21.268 1.00 0.00 H new ATOM 0 HA ASP A 19 3.765 19.879 23.100 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.762 18.467 23.388 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.219 17.494 22.003 1.00 0.00 H new ATOM 318 N ASP A 20 4.453 18.375 20.261 1.00 0.00 N ATOM 319 CA ASP A 20 5.540 17.862 19.436 1.00 0.00 C ATOM 320 C ASP A 20 6.362 19.004 18.848 1.00 0.00 C ATOM 321 O ASP A 20 6.530 19.099 17.631 1.00 0.00 O ATOM 322 CB ASP A 20 4.986 16.984 18.313 1.00 0.00 C ATOM 323 CG ASP A 20 4.739 15.557 18.761 1.00 0.00 C ATOM 324 OD1 ASP A 20 4.071 15.368 19.800 1.00 0.00 O ATOM 325 OD2 ASP A 20 5.212 14.629 18.072 1.00 0.00 O ATOM 0 H ASP A 20 3.552 18.428 19.786 1.00 0.00 H new ATOM 0 HA ASP A 20 6.191 17.260 20.070 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.053 17.413 17.947 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.686 16.983 17.478 1.00 0.00 H new ATOM 330 N ILE A 21 6.870 19.870 19.718 1.00 0.00 N ATOM 331 CA ILE A 21 7.674 21.006 19.284 1.00 0.00 C ATOM 332 C ILE A 21 9.010 21.046 20.019 1.00 0.00 C ATOM 333 O ILE A 21 9.058 20.960 21.246 1.00 0.00 O ATOM 334 CB ILE A 21 6.936 22.338 19.511 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.670 22.397 18.653 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.851 23.512 19.197 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.811 23.612 18.927 1.00 0.00 C ATOM 0 H ILE A 21 6.739 19.807 20.728 1.00 0.00 H new ATOM 0 HA ILE A 21 7.852 20.877 18.216 1.00 0.00 H new ATOM 0 HB ILE A 21 6.645 22.401 20.560 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.953 22.392 17.601 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.080 21.498 18.828 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.314 24.446 19.362 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.725 23.476 19.847 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.170 23.456 18.156 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.931 23.588 18.284 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.497 23.608 19.971 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.385 24.516 18.724 1.00 0.00 H new ATOM 349 N ILE A 22 10.092 21.180 19.260 1.00 0.00 N ATOM 350 CA ILE A 22 11.429 21.235 19.839 1.00 0.00 C ATOM 351 C ILE A 22 12.152 22.514 19.431 1.00 0.00 C ATOM 352 O ILE A 22 11.591 23.362 18.737 1.00 0.00 O ATOM 353 CB ILE A 22 12.277 20.021 19.414 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.319 19.909 17.889 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.720 18.746 20.029 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.415 18.999 17.380 1.00 0.00 C ATOM 0 H ILE A 22 10.069 21.253 18.243 1.00 0.00 H new ATOM 0 HA ILE A 22 11.305 21.220 20.922 1.00 0.00 H new ATOM 0 HB ILE A 22 13.295 20.162 19.777 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.357 19.540 17.533 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.456 20.903 17.463 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.329 17.897 19.720 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.737 18.829 21.116 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.694 18.598 19.693 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.385 18.967 16.291 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.384 19.379 17.706 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.267 17.994 17.776 1.00 0.00 H new ATOM 368 N ILE A 23 13.401 22.644 19.865 1.00 0.00 N ATOM 369 CA ILE A 23 14.203 23.818 19.543 1.00 0.00 C ATOM 370 C ILE A 23 14.599 23.826 18.070 1.00 0.00 C ATOM 371 O ILE A 23 14.857 24.881 17.490 1.00 0.00 O ATOM 372 CB ILE A 23 15.476 23.885 20.406 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.110 24.035 21.884 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.362 25.037 19.955 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.856 22.716 22.580 1.00 0.00 C ATOM 0 H ILE A 23 13.880 21.951 20.440 1.00 0.00 H new ATOM 0 HA ILE A 23 13.585 24.690 19.755 1.00 0.00 H new ATOM 0 HB ILE A 23 16.031 22.955 20.281 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.916 24.559 22.398 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.220 24.658 21.968 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.258 25.071 20.575 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.647 24.891 18.913 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.817 25.976 20.054 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.602 22.899 23.624 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.030 22.199 22.091 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.753 22.098 22.527 1.00 0.00 H new ATOM 387 N LYS A 24 14.644 22.642 17.469 1.00 0.00 N ATOM 388 CA LYS A 24 15.006 22.510 16.063 1.00 0.00 C ATOM 389 C LYS A 24 13.762 22.499 15.180 1.00 0.00 C ATOM 390 O LYS A 24 13.853 22.311 13.966 1.00 0.00 O ATOM 391 CB LYS A 24 15.814 21.230 15.840 1.00 0.00 C ATOM 392 CG LYS A 24 17.090 21.165 16.662 1.00 0.00 C ATOM 393 CD LYS A 24 17.980 22.370 16.405 1.00 0.00 C ATOM 394 CE LYS A 24 18.406 22.448 14.947 1.00 0.00 C ATOM 395 NZ LYS A 24 19.234 21.276 14.548 1.00 0.00 N ATOM 0 H LYS A 24 14.434 21.759 17.934 1.00 0.00 H new ATOM 0 HA LYS A 24 15.617 23.370 15.789 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.191 20.370 16.084 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.068 21.150 14.783 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.839 21.116 17.722 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.634 20.252 16.420 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.448 23.281 16.679 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.864 22.313 17.041 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.521 22.501 14.312 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.971 23.365 14.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.658 21.452 13.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.988 21.129 15.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.635 20.427 14.502 1.00 0.00 H new ATOM 409 N CYS A 25 12.603 22.703 15.796 1.00 0.00 N ATOM 410 CA CYS A 25 11.341 22.717 15.066 1.00 0.00 C ATOM 411 C CYS A 25 10.997 24.128 14.601 1.00 0.00 C ATOM 412 O CYS A 25 11.198 25.098 15.332 1.00 0.00 O ATOM 413 CB CYS A 25 10.214 22.167 15.942 1.00 0.00 C ATOM 414 SG CYS A 25 8.555 22.481 15.295 1.00 0.00 S ATOM 0 H CYS A 25 12.511 22.861 16.800 1.00 0.00 H new ATOM 0 HA CYS A 25 11.452 22.081 14.188 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.350 21.092 16.057 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.294 22.607 16.936 1.00 0.00 H new ATOM 0 HG CYS A 25 7.671 21.976 16.104 1.00 0.00 H new ATOM 420 N GLN A 26 10.481 24.235 13.381 1.00 0.00 N ATOM 421 CA GLN A 26 10.112 25.528 12.818 1.00 0.00 C ATOM 422 C GLN A 26 8.658 25.526 12.356 1.00 0.00 C ATOM 423 O GLN A 26 8.212 24.596 11.683 1.00 0.00 O ATOM 424 CB GLN A 26 11.031 25.880 11.647 1.00 0.00 C ATOM 425 CG GLN A 26 12.510 25.823 11.997 1.00 0.00 C ATOM 426 CD GLN A 26 13.403 26.075 10.798 1.00 0.00 C ATOM 427 OE1 GLN A 26 13.430 27.177 10.250 1.00 0.00 O ATOM 428 NE2 GLN A 26 14.140 25.051 10.383 1.00 0.00 N ATOM 0 H GLN A 26 10.309 23.442 12.763 1.00 0.00 H new ATOM 0 HA GLN A 26 10.225 26.281 13.598 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.834 25.195 10.823 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.788 26.882 11.293 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.726 26.563 12.768 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.742 24.845 12.419 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.086 24.155 10.867 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.760 25.161 9.580 1.00 0.00 H new ATOM 437 N CYS A 27 7.925 26.572 12.721 1.00 0.00 N ATOM 438 CA CYS A 27 6.521 26.690 12.345 1.00 0.00 C ATOM 439 C CYS A 27 6.179 28.127 11.966 1.00 0.00 C ATOM 440 O CYS A 27 7.000 29.032 12.119 1.00 0.00 O ATOM 441 CB CYS A 27 5.623 26.225 13.492 1.00 0.00 C ATOM 442 SG CYS A 27 5.970 27.030 15.074 1.00 0.00 S ATOM 0 H CYS A 27 8.280 27.350 13.277 1.00 0.00 H new ATOM 0 HA CYS A 27 6.348 26.053 11.477 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.583 26.410 13.223 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.734 25.147 13.613 1.00 0.00 H new ATOM 0 HG CYS A 27 5.158 26.573 15.981 1.00 0.00 H new ATOM 448 N TRP A 28 4.964 28.329 11.470 1.00 0.00 N ATOM 449 CA TRP A 28 4.514 29.657 11.067 1.00 0.00 C ATOM 450 C TRP A 28 3.719 30.325 12.183 1.00 0.00 C ATOM 451 O TRP A 28 2.843 29.708 12.790 1.00 0.00 O ATOM 452 CB TRP A 28 3.661 29.566 9.800 1.00 0.00 C ATOM 453 CG TRP A 28 4.460 29.286 8.564 1.00 0.00 C ATOM 454 CD1 TRP A 28 4.891 28.066 8.126 1.00 0.00 C ATOM 455 CD2 TRP A 28 4.927 30.245 7.609 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.596 28.209 6.955 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.632 29.536 6.617 1.00 0.00 C ATOM 458 CE3 TRP A 28 4.815 31.633 7.494 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.223 30.170 5.527 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.402 32.261 6.412 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.098 31.530 5.440 1.00 0.00 C ATOM 0 H TRP A 28 4.273 27.591 11.337 1.00 0.00 H new ATOM 0 HA TRP A 28 5.395 30.265 10.861 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.916 28.781 9.928 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.118 30.502 9.668 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.705 27.127 8.626 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.023 27.450 6.424 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.279 32.205 8.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.761 29.609 4.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.323 33.334 6.314 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.545 32.050 4.606 1.00 0.00 H new ATOM 472 N VAL A 29 4.030 31.589 12.451 1.00 0.00 N ATOM 473 CA VAL A 29 3.343 32.341 13.494 1.00 0.00 C ATOM 474 C VAL A 29 2.581 33.524 12.908 1.00 0.00 C ATOM 475 O VAL A 29 3.110 34.267 12.081 1.00 0.00 O ATOM 476 CB VAL A 29 4.331 32.856 14.557 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.581 33.443 15.744 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.262 31.740 15.004 1.00 0.00 C ATOM 0 H VAL A 29 4.754 32.114 11.960 1.00 0.00 H new ATOM 0 HA VAL A 29 2.638 31.657 13.965 1.00 0.00 H new ATOM 0 HB VAL A 29 4.936 33.647 14.113 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.296 33.802 16.485 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.960 34.273 15.407 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.950 32.675 16.191 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.953 32.122 15.755 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.676 30.926 15.431 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.825 31.371 14.147 1.00 0.00 H new ATOM 488 N GLN A 30 1.336 33.693 13.343 1.00 0.00 N ATOM 489 CA GLN A 30 0.501 34.787 12.860 1.00 0.00 C ATOM 490 C GLN A 30 0.826 36.084 13.594 1.00 0.00 C ATOM 491 O GLN A 30 0.616 36.196 14.802 1.00 0.00 O ATOM 492 CB GLN A 30 -0.979 34.443 13.038 1.00 0.00 C ATOM 493 CG GLN A 30 -1.917 35.416 12.342 1.00 0.00 C ATOM 494 CD GLN A 30 -3.310 34.849 12.153 1.00 0.00 C ATOM 495 OE1 GLN A 30 -3.740 33.967 12.897 1.00 0.00 O ATOM 496 NE2 GLN A 30 -4.025 35.354 11.154 1.00 0.00 N ATOM 0 H GLN A 30 0.884 33.087 14.028 1.00 0.00 H new ATOM 0 HA GLN A 30 0.709 34.929 11.799 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.159 33.439 12.653 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.214 34.423 14.102 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.979 36.335 12.925 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.502 35.682 11.370 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.629 36.084 10.562 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.970 35.012 10.979 1.00 0.00 H new ATOM 505 N LYS A 31 1.340 37.063 12.856 1.00 0.00 N ATOM 506 CA LYS A 31 1.693 38.353 13.435 1.00 0.00 C ATOM 507 C LYS A 31 1.388 39.488 12.463 1.00 0.00 C ATOM 508 O LYS A 31 1.682 39.393 11.272 1.00 0.00 O ATOM 509 CB LYS A 31 3.176 38.376 13.814 1.00 0.00 C ATOM 510 CG LYS A 31 3.453 39.056 15.144 1.00 0.00 C ATOM 511 CD LYS A 31 2.760 38.340 16.291 1.00 0.00 C ATOM 512 CE LYS A 31 3.760 37.634 17.194 1.00 0.00 C ATOM 513 NZ LYS A 31 3.088 36.928 18.320 1.00 0.00 N ATOM 0 H LYS A 31 1.521 36.987 11.855 1.00 0.00 H new ATOM 0 HA LYS A 31 1.092 38.497 14.333 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.548 37.352 13.854 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.735 38.888 13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.528 39.080 15.325 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.114 40.091 15.102 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.185 39.058 16.875 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.052 37.613 15.893 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.336 36.918 16.608 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.467 38.362 17.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.716 36.919 19.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.204 37.421 18.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.873 35.950 18.038 1.00 0.00 H new ATOM 527 N ASN A 32 0.799 40.561 12.979 1.00 0.00 N ATOM 528 CA ASN A 32 0.455 41.715 12.155 1.00 0.00 C ATOM 529 C ASN A 32 -0.478 41.312 11.017 1.00 0.00 C ATOM 530 O ASN A 32 -0.234 41.639 9.855 1.00 0.00 O ATOM 531 CB ASN A 32 1.722 42.358 11.588 1.00 0.00 C ATOM 532 CG ASN A 32 2.613 42.934 12.671 1.00 0.00 C ATOM 533 OD1 ASN A 32 2.140 43.315 13.742 1.00 0.00 O ATOM 534 ND2 ASN A 32 3.911 43.000 12.397 1.00 0.00 N ATOM 0 H ASN A 32 0.550 40.656 13.963 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.061 42.439 12.785 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.280 41.614 11.020 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.444 43.149 10.891 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.559 43.378 13.088 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.259 42.673 11.496 1.00 0.00 H new ATOM 541 N ASP A 33 -1.547 40.602 11.359 1.00 0.00 N ATOM 542 CA ASP A 33 -2.518 40.156 10.367 1.00 0.00 C ATOM 543 C ASP A 33 -1.826 39.433 9.216 1.00 0.00 C ATOM 544 O ASP A 33 -2.329 39.410 8.093 1.00 0.00 O ATOM 545 CB ASP A 33 -3.316 41.346 9.832 1.00 0.00 C ATOM 546 CG ASP A 33 -4.636 40.927 9.215 1.00 0.00 C ATOM 547 OD1 ASP A 33 -5.144 39.846 9.578 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.161 41.680 8.367 1.00 0.00 O ATOM 0 H ASP A 33 -1.763 40.323 12.316 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.201 39.459 10.852 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.504 42.048 10.644 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.721 41.873 9.086 1.00 0.00 H new ATOM 553 N GLU A 34 -0.669 38.845 9.503 1.00 0.00 N ATOM 554 CA GLU A 34 0.093 38.123 8.491 1.00 0.00 C ATOM 555 C GLU A 34 0.709 36.855 9.074 1.00 0.00 C ATOM 556 O GLU A 34 0.585 36.586 10.268 1.00 0.00 O ATOM 557 CB GLU A 34 1.193 39.018 7.914 1.00 0.00 C ATOM 558 CG GLU A 34 0.669 40.115 7.003 1.00 0.00 C ATOM 559 CD GLU A 34 0.409 39.627 5.591 1.00 0.00 C ATOM 560 OE1 GLU A 34 -0.633 38.976 5.370 1.00 0.00 O ATOM 561 OE2 GLU A 34 1.249 39.897 4.707 1.00 0.00 O ATOM 0 H GLU A 34 -0.239 38.854 10.428 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.592 37.839 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.748 39.473 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.898 38.400 7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.254 40.518 7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.389 40.933 6.974 1.00 0.00 H new ATOM 568 N GLU A 35 1.371 36.079 8.222 1.00 0.00 N ATOM 569 CA GLU A 35 2.004 34.838 8.652 1.00 0.00 C ATOM 570 C GLU A 35 3.495 34.847 8.328 1.00 0.00 C ATOM 571 O GLU A 35 3.889 35.029 7.176 1.00 0.00 O ATOM 572 CB GLU A 35 1.332 33.637 7.983 1.00 0.00 C ATOM 573 CG GLU A 35 1.448 33.642 6.468 1.00 0.00 C ATOM 574 CD GLU A 35 0.105 33.484 5.780 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.689 32.625 6.218 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.151 34.219 4.804 1.00 0.00 O ATOM 0 H GLU A 35 1.483 36.288 7.230 1.00 0.00 H new ATOM 0 HA GLU A 35 1.885 34.755 9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.776 32.720 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.277 33.621 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.910 34.575 6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.110 32.834 6.155 1.00 0.00 H new ATOM 583 N ARG A 36 4.319 34.649 9.352 1.00 0.00 N ATOM 584 CA ARG A 36 5.766 34.636 9.177 1.00 0.00 C ATOM 585 C ARG A 36 6.370 33.352 9.739 1.00 0.00 C ATOM 586 O ARG A 36 5.987 32.893 10.816 1.00 0.00 O ATOM 587 CB ARG A 36 6.395 35.851 9.861 1.00 0.00 C ATOM 588 CG ARG A 36 6.273 37.134 9.056 1.00 0.00 C ATOM 589 CD ARG A 36 5.075 37.958 9.500 1.00 0.00 C ATOM 590 NE ARG A 36 4.978 39.220 8.770 1.00 0.00 N ATOM 591 CZ ARG A 36 4.632 39.303 7.490 1.00 0.00 C ATOM 592 NH1 ARG A 36 4.353 38.205 6.803 1.00 0.00 N ATOM 593 NH2 ARG A 36 4.566 40.488 6.896 1.00 0.00 N ATOM 0 H ARG A 36 4.009 34.495 10.311 1.00 0.00 H new ATOM 0 HA ARG A 36 5.978 34.679 8.109 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.923 35.995 10.833 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.450 35.647 10.047 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.183 37.723 9.168 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.178 36.893 7.997 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.162 37.381 9.350 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.151 38.162 10.568 1.00 0.00 H new ATOM 0 HE ARG A 36 5.187 40.084 9.270 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.404 37.293 7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.088 38.272 5.820 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.781 41.335 7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.300 40.552 5.913 1.00 0.00 H new ATOM 607 N LEU A 37 7.315 32.778 9.004 1.00 0.00 N ATOM 608 CA LEU A 37 7.973 31.547 9.428 1.00 0.00 C ATOM 609 C LEU A 37 8.876 31.798 10.631 1.00 0.00 C ATOM 610 O LEU A 37 9.942 32.400 10.505 1.00 0.00 O ATOM 611 CB LEU A 37 8.790 30.958 8.277 1.00 0.00 C ATOM 612 CG LEU A 37 9.388 29.572 8.518 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.416 28.487 8.081 1.00 0.00 C ATOM 614 CD2 LEU A 37 10.714 29.428 7.786 1.00 0.00 C ATOM 0 H LEU A 37 7.643 33.145 8.111 1.00 0.00 H new ATOM 0 HA LEU A 37 7.201 30.834 9.719 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.153 30.908 7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.602 31.647 8.045 1.00 0.00 H new ATOM 0 HG LEU A 37 9.571 29.458 9.586 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.859 27.508 8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.491 28.576 8.651 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.200 28.598 7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.125 28.435 7.969 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.556 29.563 6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.413 30.182 8.148 1.00 0.00 H new ATOM 626 N ALA A 38 8.443 31.332 11.798 1.00 0.00 N ATOM 627 CA ALA A 38 9.215 31.503 13.023 1.00 0.00 C ATOM 628 C ALA A 38 9.875 30.194 13.443 1.00 0.00 C ATOM 629 O ALA A 38 9.254 29.132 13.394 1.00 0.00 O ATOM 630 CB ALA A 38 8.324 32.028 14.139 1.00 0.00 C ATOM 0 H ALA A 38 7.562 30.833 11.921 1.00 0.00 H new ATOM 0 HA ALA A 38 10.003 32.231 12.828 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.913 32.151 15.048 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.903 32.990 13.846 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.516 31.320 14.323 1.00 0.00 H new ATOM 636 N GLU A 39 11.136 30.278 13.855 1.00 0.00 N ATOM 637 CA GLU A 39 11.879 29.098 14.282 1.00 0.00 C ATOM 638 C GLU A 39 11.907 28.993 15.804 1.00 0.00 C ATOM 639 O GLU A 39 12.259 29.949 16.496 1.00 0.00 O ATOM 640 CB GLU A 39 13.309 29.144 13.737 1.00 0.00 C ATOM 641 CG GLU A 39 14.215 28.070 14.315 1.00 0.00 C ATOM 642 CD GLU A 39 15.391 27.752 13.412 1.00 0.00 C ATOM 643 OE1 GLU A 39 15.679 28.560 12.505 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.024 26.694 13.614 1.00 0.00 O ATOM 0 H GLU A 39 11.664 31.149 13.902 1.00 0.00 H new ATOM 0 HA GLU A 39 11.373 28.218 13.884 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.279 29.038 12.653 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.739 30.123 13.949 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.586 28.397 15.287 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.635 27.163 14.484 1.00 0.00 H new ATOM 651 N ILE A 40 11.532 27.827 16.317 1.00 0.00 N ATOM 652 CA ILE A 40 11.514 27.597 17.757 1.00 0.00 C ATOM 653 C ILE A 40 12.916 27.696 18.347 1.00 0.00 C ATOM 654 O ILE A 40 13.892 27.257 17.736 1.00 0.00 O ATOM 655 CB ILE A 40 10.921 26.217 18.099 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.526 26.071 17.487 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.867 26.023 19.607 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.496 26.990 18.106 1.00 0.00 C ATOM 0 H ILE A 40 11.237 27.027 15.758 1.00 0.00 H new ATOM 0 HA ILE A 40 10.884 28.372 18.193 1.00 0.00 H new ATOM 0 HB ILE A 40 11.565 25.446 17.676 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.584 26.272 16.417 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.195 25.039 17.600 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.446 25.043 19.833 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.874 26.089 20.019 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.242 26.798 20.051 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.531 26.832 17.624 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.409 26.774 19.171 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.805 28.026 17.970 1.00 0.00 H new ATOM 670 N LEU A 41 13.011 28.273 19.539 1.00 0.00 N ATOM 671 CA LEU A 41 14.294 28.429 20.215 1.00 0.00 C ATOM 672 C LEU A 41 14.285 27.728 21.570 1.00 0.00 C ATOM 673 O LEU A 41 15.307 27.208 22.018 1.00 0.00 O ATOM 674 CB LEU A 41 14.621 29.912 20.397 1.00 0.00 C ATOM 675 CG LEU A 41 15.038 30.667 19.135 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.341 32.122 19.459 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.244 30.001 18.489 1.00 0.00 C ATOM 0 H LEU A 41 12.214 28.641 20.058 1.00 0.00 H new ATOM 0 HA LEU A 41 15.062 27.968 19.594 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.747 30.407 20.820 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.423 29.999 21.130 1.00 0.00 H new ATOM 0 HG LEU A 41 14.209 30.638 18.427 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.636 32.644 18.549 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.452 32.595 19.876 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.153 32.172 20.185 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.527 30.552 17.592 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.078 29.998 19.191 1.00 0.00 H new ATOM 0 HD23 LEU A 41 15.993 28.975 18.220 1.00 0.00 H new ATOM 689 N SER A 42 13.124 27.716 22.216 1.00 0.00 N ATOM 690 CA SER A 42 12.981 27.080 23.521 1.00 0.00 C ATOM 691 C SER A 42 11.511 26.843 23.852 1.00 0.00 C ATOM 692 O SER A 42 10.621 27.419 23.225 1.00 0.00 O ATOM 693 CB SER A 42 13.627 27.944 24.606 1.00 0.00 C ATOM 694 OG SER A 42 14.545 27.190 25.379 1.00 0.00 O ATOM 0 H SER A 42 12.268 28.139 21.857 1.00 0.00 H new ATOM 0 HA SER A 42 13.487 26.115 23.485 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.141 28.787 24.145 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.854 28.357 25.254 1.00 0.00 H new ATOM 0 HG SER A 42 14.945 27.765 26.064 1.00 0.00 H new ATOM 700 N ILE A 43 11.264 25.991 24.841 1.00 0.00 N ATOM 701 CA ILE A 43 9.902 25.678 25.257 1.00 0.00 C ATOM 702 C ILE A 43 9.723 25.889 26.756 1.00 0.00 C ATOM 703 O ILE A 43 10.577 25.504 27.554 1.00 0.00 O ATOM 704 CB ILE A 43 9.526 24.227 24.905 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.662 23.992 23.399 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.110 23.920 25.368 1.00 0.00 C ATOM 707 CD1 ILE A 43 10.453 22.751 23.050 1.00 0.00 C ATOM 0 H ILE A 43 11.989 25.505 25.369 1.00 0.00 H new ATOM 0 HA ILE A 43 9.243 26.357 24.716 1.00 0.00 H new ATOM 0 HB ILE A 43 10.211 23.555 25.422 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.667 23.914 22.960 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.143 24.859 22.946 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.859 22.891 25.112 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.044 24.052 26.448 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.412 24.597 24.876 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.509 22.648 21.966 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.460 22.834 23.459 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.961 21.875 23.473 1.00 0.00 H new ATOM 719 N ASN A 44 8.605 26.501 27.133 1.00 0.00 N ATOM 720 CA ASN A 44 8.313 26.761 28.538 1.00 0.00 C ATOM 721 C ASN A 44 6.912 26.277 28.901 1.00 0.00 C ATOM 722 O ASN A 44 5.915 26.920 28.569 1.00 0.00 O ATOM 723 CB ASN A 44 8.442 28.256 28.838 1.00 0.00 C ATOM 724 CG ASN A 44 8.124 28.585 30.284 1.00 0.00 C ATOM 725 OD1 ASN A 44 8.868 28.218 31.194 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.013 29.279 30.503 1.00 0.00 N ATOM 0 H ASN A 44 7.887 26.826 26.486 1.00 0.00 H new ATOM 0 HA ASN A 44 9.035 26.212 29.142 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.456 28.584 28.608 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.771 28.814 28.185 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.747 29.528 31.456 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.426 29.563 29.719 1.00 0.00 H new ATOM 733 N THR A 45 6.844 25.140 29.585 1.00 0.00 N ATOM 734 CA THR A 45 5.566 24.569 29.993 1.00 0.00 C ATOM 735 C THR A 45 5.264 24.885 31.453 1.00 0.00 C ATOM 736 O THR A 45 5.199 23.987 32.293 1.00 0.00 O ATOM 737 CB THR A 45 5.545 23.041 29.796 1.00 0.00 C ATOM 738 OG1 THR A 45 6.633 22.440 30.508 1.00 0.00 O ATOM 739 CG2 THR A 45 5.640 22.685 28.320 1.00 0.00 C ATOM 0 H THR A 45 7.659 24.596 29.868 1.00 0.00 H new ATOM 0 HA THR A 45 4.802 25.020 29.360 1.00 0.00 H new ATOM 0 HB THR A 45 4.601 22.659 30.186 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.543 22.631 31.465 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.623 21.601 28.205 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.795 23.119 27.786 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.570 23.079 27.910 1.00 0.00 H new ATOM 747 N ARG A 46 5.079 26.168 31.750 1.00 0.00 N ATOM 748 CA ARG A 46 4.783 26.602 33.110 1.00 0.00 C ATOM 749 C ARG A 46 3.420 27.284 33.178 1.00 0.00 C ATOM 750 O ARG A 46 3.064 27.885 34.192 1.00 0.00 O ATOM 751 CB ARG A 46 5.869 27.558 33.610 1.00 0.00 C ATOM 752 CG ARG A 46 7.187 26.871 33.924 1.00 0.00 C ATOM 753 CD ARG A 46 8.074 27.741 34.801 1.00 0.00 C ATOM 754 NE ARG A 46 7.790 27.555 36.221 1.00 0.00 N ATOM 755 CZ ARG A 46 8.406 28.226 37.188 1.00 0.00 C ATOM 756 NH1 ARG A 46 9.336 29.123 36.888 1.00 0.00 N ATOM 757 NH2 ARG A 46 8.093 28.001 38.457 1.00 0.00 N ATOM 0 H ARG A 46 5.129 26.924 31.067 1.00 0.00 H new ATOM 0 HA ARG A 46 4.761 25.720 33.750 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.040 28.326 32.856 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.511 28.065 34.506 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.994 25.923 34.427 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.708 26.639 32.995 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.120 27.504 34.606 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.930 28.789 34.537 1.00 0.00 H new ATOM 0 HE ARG A 46 7.080 26.872 36.485 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.579 29.299 35.913 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.808 29.637 37.632 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.378 27.312 38.692 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.567 28.517 39.198 1.00 0.00 H new ATOM 771 N LYS A 47 2.660 27.186 32.093 1.00 0.00 N ATOM 772 CA LYS A 47 1.335 27.792 32.028 1.00 0.00 C ATOM 773 C LYS A 47 0.352 26.874 31.308 1.00 0.00 C ATOM 774 O LYS A 47 0.729 25.813 30.811 1.00 0.00 O ATOM 775 CB LYS A 47 1.404 29.144 31.315 1.00 0.00 C ATOM 776 CG LYS A 47 0.403 30.159 31.838 1.00 0.00 C ATOM 777 CD LYS A 47 0.941 31.576 31.737 1.00 0.00 C ATOM 778 CE LYS A 47 0.909 32.083 30.303 1.00 0.00 C ATOM 779 NZ LYS A 47 0.538 33.524 30.232 1.00 0.00 N ATOM 0 H LYS A 47 2.939 26.692 31.245 1.00 0.00 H new ATOM 0 HA LYS A 47 0.982 27.945 33.048 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.410 29.550 31.421 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.232 28.993 30.249 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.525 30.080 31.272 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.164 29.933 32.877 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.350 32.237 32.371 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.964 31.606 32.112 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.887 31.937 29.844 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.195 31.495 29.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.494 33.823 29.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.391 33.666 30.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.252 34.091 30.732 1.00 0.00 H new ATOM 793 N ALA A 48 -0.909 27.291 31.255 1.00 0.00 N ATOM 794 CA ALA A 48 -1.945 26.508 30.592 1.00 0.00 C ATOM 795 C ALA A 48 -2.898 27.407 29.813 1.00 0.00 C ATOM 796 O ALA A 48 -3.756 28.083 30.381 1.00 0.00 O ATOM 797 CB ALA A 48 -2.712 25.679 31.611 1.00 0.00 C ATOM 0 H ALA A 48 -1.238 28.166 31.663 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.461 25.836 29.883 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.482 25.099 31.103 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.026 25.003 32.120 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.178 26.340 32.341 1.00 0.00 H new ATOM 803 N PRO A 49 -2.746 27.418 28.480 1.00 0.00 N ATOM 804 CA PRO A 49 -1.728 26.619 27.793 1.00 0.00 C ATOM 805 C PRO A 49 -0.315 27.129 28.056 1.00 0.00 C ATOM 806 O PRO A 49 -0.111 28.241 28.543 1.00 0.00 O ATOM 807 CB PRO A 49 -2.088 26.781 26.314 1.00 0.00 C ATOM 808 CG PRO A 49 -2.813 28.080 26.241 1.00 0.00 C ATOM 809 CD PRO A 49 -3.556 28.213 27.542 1.00 0.00 C ATOM 0 HA PRO A 49 -1.724 25.584 28.134 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.196 26.790 25.688 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.713 25.959 25.966 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.118 28.908 26.102 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.501 28.096 25.395 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.631 29.254 27.858 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.573 27.830 27.465 1.00 0.00 H new ATOM 817 N PRO A 50 0.685 26.298 27.728 1.00 0.00 N ATOM 818 CA PRO A 50 2.097 26.644 27.920 1.00 0.00 C ATOM 819 C PRO A 50 2.561 27.738 26.964 1.00 0.00 C ATOM 820 O PRO A 50 1.773 28.266 26.179 1.00 0.00 O ATOM 821 CB PRO A 50 2.827 25.331 27.625 1.00 0.00 C ATOM 822 CG PRO A 50 1.910 24.582 26.722 1.00 0.00 C ATOM 823 CD PRO A 50 0.516 24.957 27.144 1.00 0.00 C ATOM 0 HA PRO A 50 2.288 27.039 28.918 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.791 25.512 27.149 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.024 24.773 28.541 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.087 24.847 25.679 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.068 23.507 26.809 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.170 24.971 26.297 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.112 24.251 27.869 1.00 0.00 H new ATOM 831 N LYS A 51 3.844 28.073 27.034 1.00 0.00 N ATOM 832 CA LYS A 51 4.415 29.103 26.173 1.00 0.00 C ATOM 833 C LYS A 51 5.603 28.559 25.388 1.00 0.00 C ATOM 834 O LYS A 51 6.224 27.572 25.785 1.00 0.00 O ATOM 835 CB LYS A 51 4.850 30.310 27.008 1.00 0.00 C ATOM 836 CG LYS A 51 3.736 31.310 27.259 1.00 0.00 C ATOM 837 CD LYS A 51 4.286 32.680 27.618 1.00 0.00 C ATOM 838 CE LYS A 51 3.189 33.733 27.643 1.00 0.00 C ATOM 839 NZ LYS A 51 3.723 35.083 27.974 1.00 0.00 N ATOM 0 H LYS A 51 4.509 27.646 27.679 1.00 0.00 H new ATOM 0 HA LYS A 51 3.648 29.416 25.465 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.234 29.959 27.966 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.672 30.815 26.501 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.111 31.390 26.370 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.098 30.950 28.066 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.770 32.634 28.594 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.050 32.967 26.896 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.695 33.766 26.672 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.433 33.452 28.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.944 35.772 27.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.172 35.058 28.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.426 35.363 27.261 1.00 0.00 H new ATOM 853 N PHE A 52 5.917 29.209 24.272 1.00 0.00 N ATOM 854 CA PHE A 52 7.032 28.790 23.431 1.00 0.00 C ATOM 855 C PHE A 52 7.798 29.999 22.902 1.00 0.00 C ATOM 856 O PHE A 52 7.222 31.064 22.679 1.00 0.00 O ATOM 857 CB PHE A 52 6.526 27.941 22.262 1.00 0.00 C ATOM 858 CG PHE A 52 5.759 26.724 22.693 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.434 26.827 23.084 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.363 25.477 22.706 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.726 25.708 23.482 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.660 24.355 23.103 1.00 0.00 C ATOM 863 CZ PHE A 52 4.339 24.471 23.490 1.00 0.00 C ATOM 0 H PHE A 52 5.415 30.028 23.929 1.00 0.00 H new ATOM 0 HA PHE A 52 7.709 28.191 24.040 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.889 28.556 21.626 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.376 27.629 21.655 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.949 27.792 23.078 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.395 25.381 22.402 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.694 25.802 23.786 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.143 23.389 23.111 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.787 23.596 23.798 1.00 0.00 H new ATOM 873 N TYR A 53 9.100 29.826 22.703 1.00 0.00 N ATOM 874 CA TYR A 53 9.947 30.902 22.204 1.00 0.00 C ATOM 875 C TYR A 53 10.201 30.746 20.708 1.00 0.00 C ATOM 876 O TYR A 53 10.824 29.778 20.270 1.00 0.00 O ATOM 877 CB TYR A 53 11.277 30.926 22.959 1.00 0.00 C ATOM 878 CG TYR A 53 11.905 32.299 23.037 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.169 33.397 23.465 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.233 32.498 22.681 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.739 34.654 23.537 1.00 0.00 C ATOM 882 CE2 TYR A 53 13.811 33.751 22.752 1.00 0.00 C ATOM 883 CZ TYR A 53 13.060 34.825 23.180 1.00 0.00 C ATOM 884 OH TYR A 53 13.632 36.075 23.251 1.00 0.00 O ATOM 0 H TYR A 53 9.592 28.950 22.880 1.00 0.00 H new ATOM 0 HA TYR A 53 9.427 31.845 22.370 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.118 30.551 23.970 1.00 0.00 H new ATOM 0 HB3 TYR A 53 11.974 30.244 22.472 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.134 33.266 23.746 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.824 31.659 22.343 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.153 35.498 23.871 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.845 33.888 22.474 1.00 0.00 H new ATOM 0 HH TYR A 53 14.607 35.992 23.201 1.00 0.00 H new ATOM 894 N VAL A 54 9.714 31.706 19.928 1.00 0.00 N ATOM 895 CA VAL A 54 9.889 31.677 18.480 1.00 0.00 C ATOM 896 C VAL A 54 10.841 32.776 18.020 1.00 0.00 C ATOM 897 O VAL A 54 11.029 33.779 18.710 1.00 0.00 O ATOM 898 CB VAL A 54 8.543 31.839 17.749 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.725 30.561 17.847 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.770 33.022 18.313 1.00 0.00 C ATOM 0 H VAL A 54 9.195 32.513 20.274 1.00 0.00 H new ATOM 0 HA VAL A 54 10.314 30.705 18.231 1.00 0.00 H new ATOM 0 HB VAL A 54 8.742 32.034 16.695 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.778 30.694 17.325 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.278 29.739 17.392 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.532 30.332 18.895 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.822 33.122 17.785 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.579 32.860 19.374 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.354 33.933 18.185 1.00 0.00 H new ATOM 910 N HIS A 55 11.439 32.580 16.849 1.00 0.00 N ATOM 911 CA HIS A 55 12.372 33.556 16.295 1.00 0.00 C ATOM 912 C HIS A 55 12.135 33.745 14.800 1.00 0.00 C ATOM 913 O HIS A 55 12.275 32.807 14.015 1.00 0.00 O ATOM 914 CB HIS A 55 13.814 33.112 16.543 1.00 0.00 C ATOM 915 CG HIS A 55 14.801 33.734 15.604 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.827 35.084 15.325 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.803 33.182 14.880 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.801 35.336 14.469 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.409 34.199 14.183 1.00 0.00 N ATOM 0 H HIS A 55 11.295 31.756 16.266 1.00 0.00 H new ATOM 0 HA HIS A 55 12.203 34.509 16.795 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.092 33.362 17.567 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.872 32.027 16.453 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.075 32.137 14.855 1.00 0.00 H new ATOM 0 HE1 HIS A 55 16.057 36.307 14.071 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.200 34.093 13.548 1.00 0.00 H new ATOM 927 N TYR A 56 11.774 34.964 14.413 1.00 0.00 N ATOM 928 CA TYR A 56 11.515 35.275 13.012 1.00 0.00 C ATOM 929 C TYR A 56 12.792 35.166 12.184 1.00 0.00 C ATOM 930 O TYR A 56 13.718 35.962 12.342 1.00 0.00 O ATOM 931 CB TYR A 56 10.927 36.681 12.881 1.00 0.00 C ATOM 932 CG TYR A 56 9.747 36.931 13.793 1.00 0.00 C ATOM 933 CD1 TYR A 56 8.457 36.593 13.402 1.00 0.00 C ATOM 934 CD2 TYR A 56 9.922 37.506 15.046 1.00 0.00 C ATOM 935 CE1 TYR A 56 7.377 36.821 14.232 1.00 0.00 C ATOM 936 CE2 TYR A 56 8.847 37.736 15.883 1.00 0.00 C ATOM 937 CZ TYR A 56 7.577 37.392 15.471 1.00 0.00 C ATOM 938 OH TYR A 56 6.503 37.619 16.301 1.00 0.00 O ATOM 0 H TYR A 56 11.654 35.752 15.049 1.00 0.00 H new ATOM 0 HA TYR A 56 10.795 34.550 12.632 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.705 37.413 13.098 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.618 36.842 11.848 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.296 36.144 12.433 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.915 37.778 15.371 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.381 36.553 13.912 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.001 38.183 16.854 1.00 0.00 H new ATOM 0 HH TYR A 56 6.819 37.996 17.149 1.00 0.00 H new ATOM 948 N VAL A 57 12.833 34.175 11.299 1.00 0.00 N ATOM 949 CA VAL A 57 13.994 33.962 10.444 1.00 0.00 C ATOM 950 C VAL A 57 14.250 35.171 9.553 1.00 0.00 C ATOM 951 O VAL A 57 15.384 35.432 9.154 1.00 0.00 O ATOM 952 CB VAL A 57 13.817 32.713 9.559 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.078 32.449 8.751 1.00 0.00 C ATOM 954 CG2 VAL A 57 13.456 31.505 10.409 1.00 0.00 C ATOM 0 H VAL A 57 12.075 33.507 11.156 1.00 0.00 H new ATOM 0 HA VAL A 57 14.850 33.813 11.103 1.00 0.00 H new ATOM 0 HB VAL A 57 12.999 32.895 8.862 1.00 0.00 H new ATOM 0 HG11 VAL A 57 14.935 31.563 8.132 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.288 33.308 8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.917 32.287 9.428 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.335 30.632 9.768 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.251 31.317 11.131 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.523 31.698 10.939 1.00 0.00 H new ATOM 964 N ASN A 58 13.187 35.907 9.244 1.00 0.00 N ATOM 965 CA ASN A 58 13.297 37.091 8.399 1.00 0.00 C ATOM 966 C ASN A 58 13.932 38.248 9.163 1.00 0.00 C ATOM 967 O ASN A 58 14.488 39.170 8.565 1.00 0.00 O ATOM 968 CB ASN A 58 11.917 37.503 7.881 1.00 0.00 C ATOM 969 CG ASN A 58 11.184 36.356 7.212 1.00 0.00 C ATOM 970 OD1 ASN A 58 11.283 36.164 6.000 1.00 0.00 O ATOM 971 ND2 ASN A 58 10.443 35.587 8.002 1.00 0.00 N ATOM 0 H ASN A 58 12.240 35.705 9.566 1.00 0.00 H new ATOM 0 HA ASN A 58 13.937 36.844 7.552 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.318 37.879 8.710 1.00 0.00 H new ATOM 0 HB3 ASN A 58 12.028 38.323 7.171 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.927 34.800 7.609 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.390 35.784 9.001 1.00 0.00 H new ATOM 978 N TYR A 59 13.846 38.193 10.487 1.00 0.00 N ATOM 979 CA TYR A 59 14.411 39.237 11.334 1.00 0.00 C ATOM 980 C TYR A 59 15.619 38.718 12.107 1.00 0.00 C ATOM 981 O TYR A 59 16.067 37.592 11.896 1.00 0.00 O ATOM 982 CB TYR A 59 13.354 39.760 12.308 1.00 0.00 C ATOM 983 CG TYR A 59 12.159 40.387 11.627 1.00 0.00 C ATOM 984 CD1 TYR A 59 11.191 39.599 11.016 1.00 0.00 C ATOM 985 CD2 TYR A 59 11.997 41.766 11.595 1.00 0.00 C ATOM 986 CE1 TYR A 59 10.097 40.167 10.391 1.00 0.00 C ATOM 987 CE2 TYR A 59 10.906 42.343 10.974 1.00 0.00 C ATOM 988 CZ TYR A 59 9.959 41.539 10.373 1.00 0.00 C ATOM 989 OH TYR A 59 8.871 42.109 9.753 1.00 0.00 O ATOM 0 H TYR A 59 13.390 37.436 10.997 1.00 0.00 H new ATOM 0 HA TYR A 59 14.739 40.054 10.691 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.013 38.937 12.937 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.813 40.496 12.968 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.295 38.524 11.030 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.737 42.398 12.064 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.355 39.540 9.920 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.795 43.417 10.959 1.00 0.00 H new ATOM 0 HH TYR A 59 8.924 43.084 9.831 1.00 0.00 H new ATOM 999 N ASN A 60 16.141 39.548 13.004 1.00 0.00 N ATOM 1000 CA ASN A 60 17.298 39.174 13.810 1.00 0.00 C ATOM 1001 C ASN A 60 16.865 38.433 15.071 1.00 0.00 C ATOM 1002 O ASN A 60 15.679 38.373 15.394 1.00 0.00 O ATOM 1003 CB ASN A 60 18.106 40.417 14.187 1.00 0.00 C ATOM 1004 CG ASN A 60 18.922 40.950 13.025 1.00 0.00 C ATOM 1005 OD1 ASN A 60 20.032 40.484 12.765 1.00 0.00 O ATOM 1006 ND2 ASN A 60 18.375 41.933 12.319 1.00 0.00 N ATOM 0 H ASN A 60 15.781 40.484 13.191 1.00 0.00 H new ATOM 0 HA ASN A 60 17.924 38.509 13.216 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.428 41.195 14.539 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.772 40.177 15.015 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.877 42.332 11.526 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.453 42.289 12.570 1.00 0.00 H new ATOM 1013 N LYS A 61 17.836 37.870 15.782 1.00 0.00 N ATOM 1014 CA LYS A 61 17.558 37.134 17.010 1.00 0.00 C ATOM 1015 C LYS A 61 16.959 38.052 18.070 1.00 0.00 C ATOM 1016 O LYS A 61 16.387 37.586 19.056 1.00 0.00 O ATOM 1017 CB LYS A 61 18.839 36.489 17.544 1.00 0.00 C ATOM 1018 CG LYS A 61 18.605 35.550 18.714 1.00 0.00 C ATOM 1019 CD LYS A 61 19.907 34.941 19.209 1.00 0.00 C ATOM 1020 CE LYS A 61 19.798 34.496 20.659 1.00 0.00 C ATOM 1021 NZ LYS A 61 20.749 33.395 20.975 1.00 0.00 N ATOM 0 H LYS A 61 18.823 37.909 15.529 1.00 0.00 H new ATOM 0 HA LYS A 61 16.834 36.352 16.780 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.322 35.937 16.737 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.530 37.274 17.851 1.00 0.00 H new ATOM 0 HG2 LYS A 61 18.124 36.093 19.527 1.00 0.00 H new ATOM 0 HG3 LYS A 61 17.922 34.756 18.413 1.00 0.00 H new ATOM 0 HD2 LYS A 61 20.171 34.088 18.584 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.711 35.670 19.110 1.00 0.00 H new ATOM 0 HE2 LYS A 61 19.994 35.344 21.315 1.00 0.00 H new ATOM 0 HE3 LYS A 61 18.779 34.165 20.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 20.643 33.121 21.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 20.546 32.576 20.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 21.723 33.718 20.806 1.00 0.00 H new ATOM 1035 N ARG A 62 17.092 39.358 17.860 1.00 0.00 N ATOM 1036 CA ARG A 62 16.563 40.340 18.799 1.00 0.00 C ATOM 1037 C ARG A 62 15.069 40.556 18.575 1.00 0.00 C ATOM 1038 O ARG A 62 14.435 41.351 19.271 1.00 0.00 O ATOM 1039 CB ARG A 62 17.309 41.668 18.654 1.00 0.00 C ATOM 1040 CG ARG A 62 17.054 42.368 17.329 1.00 0.00 C ATOM 1041 CD ARG A 62 16.044 43.495 17.480 1.00 0.00 C ATOM 1042 NE ARG A 62 16.561 44.587 18.300 1.00 0.00 N ATOM 1043 CZ ARG A 62 15.878 45.695 18.564 1.00 0.00 C ATOM 1044 NH1 ARG A 62 14.656 45.857 18.075 1.00 0.00 N ATOM 1045 NH2 ARG A 62 16.416 46.644 19.320 1.00 0.00 N ATOM 0 H ARG A 62 17.561 39.760 17.048 1.00 0.00 H new ATOM 0 HA ARG A 62 16.710 39.957 19.809 1.00 0.00 H new ATOM 0 HB2 ARG A 62 17.015 42.331 19.468 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.379 41.488 18.760 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.991 42.767 16.941 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.689 41.646 16.599 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.777 43.877 16.495 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.131 43.105 17.929 1.00 0.00 H new ATOM 0 HE ARG A 62 17.498 44.494 18.692 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.238 45.130 17.495 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.134 46.709 18.279 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.355 46.523 19.699 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.890 47.494 19.522 1.00 0.00 H new ATOM 1059 N LEU A 63 14.514 39.846 17.600 1.00 0.00 N ATOM 1060 CA LEU A 63 13.094 39.959 17.284 1.00 0.00 C ATOM 1061 C LEU A 63 12.304 38.814 17.908 1.00 0.00 C ATOM 1062 O LEU A 63 11.090 38.910 18.089 1.00 0.00 O ATOM 1063 CB LEU A 63 12.888 39.970 15.768 1.00 0.00 C ATOM 1064 CG LEU A 63 11.955 41.053 15.225 1.00 0.00 C ATOM 1065 CD1 LEU A 63 10.555 40.887 15.795 1.00 0.00 C ATOM 1066 CD2 LEU A 63 12.502 42.437 15.543 1.00 0.00 C ATOM 0 H LEU A 63 15.025 39.186 17.014 1.00 0.00 H new ATOM 0 HA LEU A 63 12.728 40.897 17.701 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.861 40.084 15.290 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.497 38.998 15.468 1.00 0.00 H new ATOM 0 HG LEU A 63 11.899 40.947 14.142 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.905 41.667 15.397 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.162 39.910 15.516 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.593 40.966 16.881 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.825 43.195 15.149 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.589 42.554 16.623 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.484 42.554 15.085 1.00 0.00 H new ATOM 1078 N ASP A 64 13.000 37.732 18.236 1.00 0.00 N ATOM 1079 CA ASP A 64 12.364 36.568 18.844 1.00 0.00 C ATOM 1080 C ASP A 64 11.537 36.974 20.059 1.00 0.00 C ATOM 1081 O ASP A 64 11.751 38.037 20.640 1.00 0.00 O ATOM 1082 CB ASP A 64 13.419 35.538 19.249 1.00 0.00 C ATOM 1083 CG ASP A 64 14.384 36.075 20.287 1.00 0.00 C ATOM 1084 OD1 ASP A 64 14.251 37.258 20.666 1.00 0.00 O ATOM 1085 OD2 ASP A 64 15.273 35.313 20.721 1.00 0.00 O ATOM 0 H ASP A 64 14.005 37.636 18.091 1.00 0.00 H new ATOM 0 HA ASP A 64 11.697 36.122 18.107 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.924 34.650 19.643 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.976 35.227 18.366 1.00 0.00 H new ATOM 1090 N GLU A 65 10.591 36.120 20.437 1.00 0.00 N ATOM 1091 CA GLU A 65 9.731 36.391 21.583 1.00 0.00 C ATOM 1092 C GLU A 65 8.963 35.139 21.995 1.00 0.00 C ATOM 1093 O GLU A 65 9.180 34.057 21.449 1.00 0.00 O ATOM 1094 CB GLU A 65 8.751 37.520 21.257 1.00 0.00 C ATOM 1095 CG GLU A 65 7.768 37.172 20.151 1.00 0.00 C ATOM 1096 CD GLU A 65 6.595 38.131 20.090 1.00 0.00 C ATOM 1097 OE1 GLU A 65 5.857 38.229 21.093 1.00 0.00 O ATOM 1098 OE2 GLU A 65 6.415 38.783 19.041 1.00 0.00 O ATOM 0 H GLU A 65 10.401 35.235 19.967 1.00 0.00 H new ATOM 0 HA GLU A 65 10.364 36.698 22.416 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.195 37.778 22.158 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.315 38.406 20.965 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.288 37.178 19.193 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.397 36.159 20.306 1.00 0.00 H new ATOM 1105 N TRP A 66 8.065 35.294 22.962 1.00 0.00 N ATOM 1106 CA TRP A 66 7.265 34.176 23.449 1.00 0.00 C ATOM 1107 C TRP A 66 5.861 34.213 22.855 1.00 0.00 C ATOM 1108 O TRP A 66 5.275 35.283 22.691 1.00 0.00 O ATOM 1109 CB TRP A 66 7.187 34.204 24.976 1.00 0.00 C ATOM 1110 CG TRP A 66 8.510 33.976 25.642 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.436 34.924 25.972 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.055 32.719 26.057 1.00 0.00 C ATOM 1113 NE1 TRP A 66 10.524 34.332 26.567 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.314 32.980 26.632 1.00 0.00 C ATOM 1115 CE3 TRP A 66 8.601 31.398 26.001 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.122 31.968 27.145 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 9.404 30.396 26.511 1.00 0.00 C ATOM 1118 CH2 TRP A 66 10.653 30.685 27.077 1.00 0.00 C ATOM 0 H TRP A 66 7.873 36.183 23.424 1.00 0.00 H new ATOM 0 HA TRP A 66 7.749 33.251 23.135 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.789 35.167 25.295 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.483 33.442 25.311 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.329 35.983 25.792 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.353 34.820 26.905 1.00 0.00 H new ATOM 0 HE3 TRP A 66 7.640 31.165 25.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.085 32.189 27.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 9.063 29.372 26.473 1.00 0.00 H new ATOM 0 HH2 TRP A 66 11.257 29.879 27.467 1.00 0.00 H new ATOM 1129 N ILE A 67 5.327 33.039 22.536 1.00 0.00 N ATOM 1130 CA ILE A 67 3.991 32.938 21.962 1.00 0.00 C ATOM 1131 C ILE A 67 3.234 31.746 22.538 1.00 0.00 C ATOM 1132 O ILE A 67 3.837 30.787 23.021 1.00 0.00 O ATOM 1133 CB ILE A 67 4.046 32.805 20.429 1.00 0.00 C ATOM 1134 CG1 ILE A 67 4.825 31.550 20.031 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.676 34.044 19.812 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.671 31.180 18.573 1.00 0.00 C ATOM 0 H ILE A 67 5.799 32.144 22.665 1.00 0.00 H new ATOM 0 HA ILE A 67 3.466 33.858 22.220 1.00 0.00 H new ATOM 0 HB ILE A 67 3.028 32.712 20.051 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.882 31.704 20.249 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.491 30.715 20.647 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.708 33.935 18.728 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.083 34.921 20.071 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.690 34.166 20.194 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.250 30.281 18.363 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.620 30.994 18.354 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.032 31.998 17.950 1.00 0.00 H new ATOM 1148 N THR A 68 1.907 31.812 22.483 1.00 0.00 N ATOM 1149 CA THR A 68 1.066 30.739 22.998 1.00 0.00 C ATOM 1150 C THR A 68 0.507 29.887 21.865 1.00 0.00 C ATOM 1151 O THR A 68 0.724 30.179 20.688 1.00 0.00 O ATOM 1152 CB THR A 68 -0.103 31.293 23.833 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.484 32.585 23.347 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.280 31.392 25.302 1.00 0.00 C ATOM 0 H THR A 68 1.392 32.598 22.087 1.00 0.00 H new ATOM 0 HA THR A 68 1.698 30.121 23.636 1.00 0.00 H new ATOM 0 HB THR A 68 -0.945 30.607 23.738 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.229 32.929 23.882 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.562 31.786 25.872 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.541 30.403 25.677 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.135 32.059 25.411 1.00 0.00 H new ATOM 1162 N THR A 69 -0.214 28.830 22.225 1.00 0.00 N ATOM 1163 CA THR A 69 -0.804 27.934 21.239 1.00 0.00 C ATOM 1164 C THR A 69 -1.669 28.703 20.246 1.00 0.00 C ATOM 1165 O THR A 69 -1.606 28.466 19.040 1.00 0.00 O ATOM 1166 CB THR A 69 -1.660 26.843 21.911 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.820 27.431 22.510 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.857 26.101 22.968 1.00 0.00 C ATOM 0 H THR A 69 -0.403 28.573 23.194 1.00 0.00 H new ATOM 0 HA THR A 69 0.022 27.461 20.708 1.00 0.00 H new ATOM 0 HB THR A 69 -1.969 26.131 21.146 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.360 26.731 22.933 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.482 25.336 23.429 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.009 25.631 22.503 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.522 26.804 23.731 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.476 29.624 20.761 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.353 30.429 19.919 1.00 0.00 C ATOM 1178 C ASP A 70 -2.541 31.323 18.987 1.00 0.00 C ATOM 1179 O ASP A 70 -3.070 31.869 18.019 1.00 0.00 O ATOM 1180 CB ASP A 70 -4.282 31.283 20.784 1.00 0.00 C ATOM 1181 CG ASP A 70 -5.439 30.485 21.354 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.190 29.391 21.903 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -6.592 30.953 21.250 1.00 0.00 O ATOM 0 H ASP A 70 -2.541 29.832 21.758 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.954 29.753 19.311 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.710 31.723 21.601 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.672 32.108 20.188 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.255 31.467 19.287 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.370 32.297 18.477 1.00 0.00 C ATOM 1190 C ARG A 71 0.455 31.440 17.521 1.00 0.00 C ATOM 1191 O ARG A 71 1.421 31.915 16.923 1.00 0.00 O ATOM 1192 CB ARG A 71 0.558 33.117 19.375 1.00 0.00 C ATOM 1193 CG ARG A 71 -0.162 34.181 20.186 1.00 0.00 C ATOM 1194 CD ARG A 71 0.779 35.305 20.590 1.00 0.00 C ATOM 1195 NE ARG A 71 0.182 36.184 21.593 1.00 0.00 N ATOM 1196 CZ ARG A 71 0.659 37.387 21.892 1.00 0.00 C ATOM 1197 NH1 ARG A 71 1.732 37.853 21.268 1.00 0.00 N ATOM 1198 NH2 ARG A 71 0.061 38.128 22.816 1.00 0.00 N ATOM 0 H ARG A 71 -0.802 31.020 20.084 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.987 32.976 17.888 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.079 32.444 20.056 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.318 33.596 18.757 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.988 34.588 19.602 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.595 33.729 21.078 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.703 34.881 20.983 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.046 35.889 19.709 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.646 35.856 22.090 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.194 37.287 20.556 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.096 38.777 21.500 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.766 37.774 23.297 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.428 39.052 23.045 1.00 0.00 H new ATOM 1212 N ILE A 72 0.067 30.177 17.383 1.00 0.00 N ATOM 1213 CA ILE A 72 0.770 29.255 16.500 1.00 0.00 C ATOM 1214 C ILE A 72 -0.110 28.838 15.327 1.00 0.00 C ATOM 1215 O ILE A 72 -1.305 28.591 15.491 1.00 0.00 O ATOM 1216 CB ILE A 72 1.231 27.994 17.254 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.167 28.374 18.404 1.00 0.00 C ATOM 1218 CG2 ILE A 72 1.919 27.028 16.301 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.281 27.307 19.469 1.00 0.00 C ATOM 0 H ILE A 72 -0.730 29.769 17.871 1.00 0.00 H new ATOM 0 HA ILE A 72 1.646 29.785 16.124 1.00 0.00 H new ATOM 0 HB ILE A 72 0.355 27.499 17.672 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.158 28.581 18.001 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.810 29.296 18.862 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.239 26.142 16.849 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.224 26.736 15.514 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.788 27.513 15.856 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.960 27.645 20.252 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.298 27.116 19.899 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.667 26.390 19.025 1.00 0.00 H new ATOM 1231 N ASN A 73 0.489 28.759 14.143 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.241 28.370 12.941 1.00 0.00 C ATOM 1233 C ASN A 73 -0.004 26.900 12.613 1.00 0.00 C ATOM 1234 O ASN A 73 1.063 26.526 12.124 1.00 0.00 O ATOM 1235 CB ASN A 73 0.181 29.244 11.758 1.00 0.00 C ATOM 1236 CG ASN A 73 -0.961 29.506 10.796 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -2.023 29.985 11.192 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -0.747 29.190 9.524 1.00 0.00 N ATOM 0 H ASN A 73 1.477 28.959 13.990 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.305 28.514 13.129 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.564 30.194 12.130 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.998 28.758 11.224 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.479 29.342 8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.150 28.795 9.241 1.00 0.00 H new ATOM 1245 N LEU A 74 -1.005 26.070 12.884 1.00 0.00 N ATOM 1246 CA LEU A 74 -0.906 24.639 12.616 1.00 0.00 C ATOM 1247 C LEU A 74 -1.512 24.295 11.260 1.00 0.00 C ATOM 1248 O LEU A 74 -1.942 23.165 11.029 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.610 23.845 13.718 1.00 0.00 C ATOM 1250 CG LEU A 74 -0.952 23.882 15.098 1.00 0.00 C ATOM 1251 CD1 LEU A 74 -1.898 23.337 16.156 1.00 0.00 C ATOM 1252 CD2 LEU A 74 0.351 23.095 15.088 1.00 0.00 C ATOM 0 H LEU A 74 -1.894 26.363 13.289 1.00 0.00 H new ATOM 0 HA LEU A 74 0.150 24.370 12.599 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.629 24.220 13.814 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.681 22.805 13.400 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.725 24.919 15.344 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.412 23.371 17.131 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.804 23.942 16.181 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.157 22.306 15.916 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.806 23.132 16.078 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.148 22.058 14.820 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.034 23.531 14.359 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.542 25.277 10.365 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.092 25.078 9.029 1.00 0.00 C ATOM 1266 C ASP A 75 -0.979 24.848 8.012 1.00 0.00 C ATOM 1267 O ASP A 75 -1.198 24.246 6.961 1.00 0.00 O ATOM 1268 CB ASP A 75 -2.935 26.285 8.617 1.00 0.00 C ATOM 1269 CG ASP A 75 -4.397 26.122 8.982 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -4.737 26.306 10.170 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -5.203 25.811 8.080 1.00 0.00 O ATOM 0 H ASP A 75 -1.192 26.219 10.541 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.727 24.192 9.052 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.541 27.181 9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.847 26.436 7.541 1.00 0.00 H new ATOM 1276 N LYS A 76 0.217 25.333 8.330 1.00 0.00 N ATOM 1277 CA LYS A 76 1.365 25.182 7.445 1.00 0.00 C ATOM 1278 C LYS A 76 2.259 24.035 7.906 1.00 0.00 C ATOM 1279 O LYS A 76 2.391 23.781 9.103 1.00 0.00 O ATOM 1280 CB LYS A 76 2.171 26.482 7.394 1.00 0.00 C ATOM 1281 CG LYS A 76 1.845 27.353 6.193 1.00 0.00 C ATOM 1282 CD LYS A 76 1.772 28.822 6.574 1.00 0.00 C ATOM 1283 CE LYS A 76 0.897 29.605 5.607 1.00 0.00 C ATOM 1284 NZ LYS A 76 -0.547 29.285 5.782 1.00 0.00 N ATOM 0 H LYS A 76 0.416 25.835 9.196 1.00 0.00 H new ATOM 0 HA LYS A 76 0.994 24.953 6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.986 27.050 8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.234 26.240 7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.604 27.213 5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.894 27.040 5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.375 28.918 7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.776 29.247 6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.053 30.673 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.197 29.381 4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.124 30.031 5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.758 28.373 5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.769 29.227 6.796 1.00 0.00 H new ATOM 1298 N GLU A 77 2.872 23.346 6.948 1.00 0.00 N ATOM 1299 CA GLU A 77 3.754 22.227 7.257 1.00 0.00 C ATOM 1300 C GLU A 77 4.832 22.643 8.253 1.00 0.00 C ATOM 1301 O GLU A 77 5.275 23.791 8.261 1.00 0.00 O ATOM 1302 CB GLU A 77 4.403 21.692 5.979 1.00 0.00 C ATOM 1303 CG GLU A 77 3.405 21.352 4.885 1.00 0.00 C ATOM 1304 CD GLU A 77 4.069 20.783 3.646 1.00 0.00 C ATOM 1305 OE1 GLU A 77 5.174 20.216 3.773 1.00 0.00 O ATOM 1306 OE2 GLU A 77 3.483 20.905 2.550 1.00 0.00 O ATOM 0 H GLU A 77 2.774 23.543 5.952 1.00 0.00 H new ATOM 0 HA GLU A 77 3.153 21.438 7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.105 22.434 5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.981 20.800 6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.682 20.632 5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.848 22.249 4.615 1.00 0.00 H new ATOM 1313 N VAL A 78 5.249 21.700 9.092 1.00 0.00 N ATOM 1314 CA VAL A 78 6.276 21.968 10.093 1.00 0.00 C ATOM 1315 C VAL A 78 7.636 21.455 9.634 1.00 0.00 C ATOM 1316 O VAL A 78 7.735 20.402 9.003 1.00 0.00 O ATOM 1317 CB VAL A 78 5.924 21.319 11.445 1.00 0.00 C ATOM 1318 CG1 VAL A 78 7.055 21.517 12.442 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.621 21.888 11.985 1.00 0.00 C ATOM 0 H VAL A 78 4.892 20.744 9.099 1.00 0.00 H new ATOM 0 HA VAL A 78 6.322 23.050 10.219 1.00 0.00 H new ATOM 0 HB VAL A 78 5.790 20.248 11.291 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.789 21.052 13.391 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.965 21.058 12.056 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.223 22.583 12.595 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.387 21.419 12.941 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.724 22.964 12.125 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.816 21.690 11.277 1.00 0.00 H new ATOM 1329 N LEU A 79 8.684 22.206 9.956 1.00 0.00 N ATOM 1330 CA LEU A 79 10.041 21.828 9.578 1.00 0.00 C ATOM 1331 C LEU A 79 10.771 21.176 10.748 1.00 0.00 C ATOM 1332 O LEU A 79 10.775 21.703 11.861 1.00 0.00 O ATOM 1333 CB LEU A 79 10.818 23.055 9.097 1.00 0.00 C ATOM 1334 CG LEU A 79 11.153 23.095 7.606 1.00 0.00 C ATOM 1335 CD1 LEU A 79 12.227 22.072 7.271 1.00 0.00 C ATOM 1336 CD2 LEU A 79 9.903 22.851 6.772 1.00 0.00 C ATOM 0 H LEU A 79 8.620 23.080 10.478 1.00 0.00 H new ATOM 0 HA LEU A 79 9.977 21.104 8.765 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.240 23.946 9.343 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.750 23.114 9.660 1.00 0.00 H new ATOM 0 HG LEU A 79 11.538 24.086 7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.452 22.116 6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.129 22.292 7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.871 21.074 7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.160 22.883 5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.488 21.873 7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.164 23.622 6.989 1.00 0.00 H new ATOM 1348 N TYR A 80 11.389 20.030 10.488 1.00 0.00 N ATOM 1349 CA TYR A 80 12.122 19.306 11.520 1.00 0.00 C ATOM 1350 C TYR A 80 13.564 19.055 11.089 1.00 0.00 C ATOM 1351 O TYR A 80 13.896 19.064 9.903 1.00 0.00 O ATOM 1352 CB TYR A 80 11.432 17.976 11.828 1.00 0.00 C ATOM 1353 CG TYR A 80 10.211 18.117 12.708 1.00 0.00 C ATOM 1354 CD1 TYR A 80 10.319 18.074 14.092 1.00 0.00 C ATOM 1355 CD2 TYR A 80 8.949 18.295 12.155 1.00 0.00 C ATOM 1356 CE1 TYR A 80 9.205 18.201 14.900 1.00 0.00 C ATOM 1357 CE2 TYR A 80 7.830 18.425 12.955 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.963 18.377 14.327 1.00 0.00 C ATOM 1359 OH TYR A 80 6.852 18.507 15.128 1.00 0.00 O ATOM 0 H TYR A 80 11.397 19.582 9.572 1.00 0.00 H new ATOM 0 HA TYR A 80 12.132 19.920 12.421 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.141 17.502 10.891 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.145 17.310 12.314 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.290 17.939 14.545 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.841 18.332 11.081 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.307 18.163 15.975 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.856 18.563 12.508 1.00 0.00 H new ATOM 0 HH TYR A 80 7.088 19.011 15.935 1.00 0.00 H new ATOM 1369 N PRO A 81 14.444 18.826 12.075 1.00 0.00 N ATOM 1370 CA PRO A 81 15.865 18.567 11.824 1.00 0.00 C ATOM 1371 C PRO A 81 16.100 17.212 11.166 1.00 0.00 C ATOM 1372 O PRO A 81 15.242 16.330 11.213 1.00 0.00 O ATOM 1373 CB PRO A 81 16.483 18.596 13.224 1.00 0.00 C ATOM 1374 CG PRO A 81 15.364 18.239 14.140 1.00 0.00 C ATOM 1375 CD PRO A 81 14.119 18.800 13.511 1.00 0.00 C ATOM 0 HA PRO A 81 16.297 19.295 11.137 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.305 17.886 13.308 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.887 19.581 13.458 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.288 17.158 14.260 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.523 18.660 15.133 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.249 18.175 13.715 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.892 19.797 13.890 1.00 0.00 H new ATOM 1383 N LYS A 82 17.268 17.051 10.553 1.00 0.00 N ATOM 1384 CA LYS A 82 17.617 15.803 9.886 1.00 0.00 C ATOM 1385 C LYS A 82 18.573 14.978 10.742 1.00 0.00 C ATOM 1386 O LYS A 82 19.498 15.516 11.352 1.00 0.00 O ATOM 1387 CB LYS A 82 18.253 16.089 8.524 1.00 0.00 C ATOM 1388 CG LYS A 82 18.565 14.837 7.723 1.00 0.00 C ATOM 1389 CD LYS A 82 18.049 14.943 6.298 1.00 0.00 C ATOM 1390 CE LYS A 82 18.340 13.679 5.504 1.00 0.00 C ATOM 1391 NZ LYS A 82 18.034 13.850 4.056 1.00 0.00 N ATOM 0 H LYS A 82 17.989 17.770 10.505 1.00 0.00 H new ATOM 0 HA LYS A 82 16.701 15.230 9.739 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.581 16.723 7.945 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.174 16.653 8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.642 14.672 7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 82 18.116 13.971 8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.975 15.126 6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.512 15.798 5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 82 19.389 13.408 5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.750 12.855 5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.066 12.924 3.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.085 14.262 3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.737 14.483 3.625 1.00 0.00 H new ATOM 1405 N LEU A 83 18.346 13.670 10.782 1.00 0.00 N ATOM 1406 CA LEU A 83 19.189 12.770 11.562 1.00 0.00 C ATOM 1407 C LEU A 83 20.158 12.013 10.660 1.00 0.00 C ATOM 1408 O LEU A 83 19.839 11.698 9.513 1.00 0.00 O ATOM 1409 CB LEU A 83 18.324 11.781 12.345 1.00 0.00 C ATOM 1410 CG LEU A 83 17.779 12.279 13.684 1.00 0.00 C ATOM 1411 CD1 LEU A 83 18.919 12.650 14.620 1.00 0.00 C ATOM 1412 CD2 LEU A 83 16.852 13.468 13.473 1.00 0.00 C ATOM 0 H LEU A 83 17.585 13.209 10.283 1.00 0.00 H new ATOM 0 HA LEU A 83 19.769 13.371 12.263 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.481 11.491 11.718 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.911 10.881 12.527 1.00 0.00 H new ATOM 0 HG LEU A 83 17.206 11.473 14.144 1.00 0.00 H new ATOM 0 HD11 LEU A 83 18.512 13.002 15.568 1.00 0.00 H new ATOM 0 HD12 LEU A 83 19.544 11.775 14.797 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.519 13.439 14.167 1.00 0.00 H new ATOM 0 HD21 LEU A 83 16.473 13.810 14.436 1.00 0.00 H new ATOM 0 HD22 LEU A 83 17.402 14.277 12.992 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.016 13.170 12.840 1.00 0.00 H new ATOM 1424 N LYS A 84 21.342 11.720 11.186 1.00 0.00 N ATOM 1425 CA LYS A 84 22.358 10.996 10.431 1.00 0.00 C ATOM 1426 C LYS A 84 23.395 10.380 11.365 1.00 0.00 C ATOM 1427 O LYS A 84 23.860 11.027 12.303 1.00 0.00 O ATOM 1428 CB LYS A 84 23.046 11.932 9.435 1.00 0.00 C ATOM 1429 CG LYS A 84 24.105 11.247 8.588 1.00 0.00 C ATOM 1430 CD LYS A 84 24.645 12.175 7.512 1.00 0.00 C ATOM 1431 CE LYS A 84 25.785 13.033 8.037 1.00 0.00 C ATOM 1432 NZ LYS A 84 26.569 13.651 6.932 1.00 0.00 N ATOM 0 H LYS A 84 21.622 11.973 12.134 1.00 0.00 H new ATOM 0 HA LYS A 84 21.864 10.192 9.884 1.00 0.00 H new ATOM 0 HB2 LYS A 84 22.293 12.367 8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 84 23.506 12.755 9.981 1.00 0.00 H new ATOM 0 HG2 LYS A 84 24.923 10.914 9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 84 23.681 10.357 8.123 1.00 0.00 H new ATOM 0 HD2 LYS A 84 24.993 11.586 6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 84 23.843 12.817 7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 84 25.384 13.817 8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 84 26.445 12.422 8.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 27.337 14.228 7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 26.974 12.903 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 25.945 14.254 6.359 1.00 0.00 H new ATOM 1446 N ALA A 85 23.752 9.128 11.101 1.00 0.00 N ATOM 1447 CA ALA A 85 24.736 8.427 11.916 1.00 0.00 C ATOM 1448 C ALA A 85 25.889 7.911 11.062 1.00 0.00 C ATOM 1449 O ALA A 85 25.771 7.799 9.842 1.00 0.00 O ATOM 1450 CB ALA A 85 24.078 7.278 12.667 1.00 0.00 C ATOM 0 H ALA A 85 23.375 8.578 10.329 1.00 0.00 H new ATOM 0 HA ALA A 85 25.142 9.134 12.639 1.00 0.00 H new ATOM 0 HB1 ALA A 85 24.825 6.763 13.272 1.00 0.00 H new ATOM 0 HB2 ALA A 85 23.293 7.669 13.315 1.00 0.00 H new ATOM 0 HB3 ALA A 85 23.644 6.578 11.953 1.00 0.00 H new ATOM 1456 N THR A 86 27.007 7.598 11.711 1.00 0.00 N ATOM 1457 CA THR A 86 28.182 7.096 11.011 1.00 0.00 C ATOM 1458 C THR A 86 28.843 5.963 11.788 1.00 0.00 C ATOM 1459 O THR A 86 28.691 5.861 13.005 1.00 0.00 O ATOM 1460 CB THR A 86 29.216 8.213 10.776 1.00 0.00 C ATOM 1461 OG1 THR A 86 30.327 7.704 10.030 1.00 0.00 O ATOM 1462 CG2 THR A 86 29.706 8.784 12.099 1.00 0.00 C ATOM 0 H THR A 86 27.122 7.684 12.721 1.00 0.00 H new ATOM 0 HA THR A 86 27.839 6.720 10.047 1.00 0.00 H new ATOM 0 HB THR A 86 28.734 9.010 10.210 1.00 0.00 H new ATOM 0 HG1 THR A 86 30.979 8.421 9.884 1.00 0.00 H new ATOM 0 HG21 THR A 86 30.435 9.571 11.908 1.00 0.00 H new ATOM 0 HG22 THR A 86 28.862 9.198 12.652 1.00 0.00 H new ATOM 0 HG23 THR A 86 30.172 7.993 12.687 1.00 0.00 H new ATOM 1470 N ASP A 87 29.577 5.114 11.077 1.00 0.00 N ATOM 1471 CA ASP A 87 30.263 3.989 11.701 1.00 0.00 C ATOM 1472 C ASP A 87 31.776 4.134 11.571 1.00 0.00 C ATOM 1473 O ASP A 87 32.313 4.155 10.464 1.00 0.00 O ATOM 1474 CB ASP A 87 29.808 2.673 11.069 1.00 0.00 C ATOM 1475 CG ASP A 87 28.332 2.405 11.287 1.00 0.00 C ATOM 1476 OD1 ASP A 87 27.771 2.941 12.265 1.00 0.00 O ATOM 1477 OD2 ASP A 87 27.738 1.658 10.480 1.00 0.00 O ATOM 0 H ASP A 87 29.712 5.184 10.068 1.00 0.00 H new ATOM 0 HA ASP A 87 30.007 3.982 12.761 1.00 0.00 H new ATOM 0 HB2 ASP A 87 30.016 2.696 9.999 1.00 0.00 H new ATOM 0 HB3 ASP A 87 30.389 1.852 11.489 1.00 0.00 H new ATOM 1482 N GLU A 88 32.456 4.236 12.708 1.00 0.00 N ATOM 1483 CA GLU A 88 33.907 4.382 12.720 1.00 0.00 C ATOM 1484 C GLU A 88 34.566 3.211 13.444 1.00 0.00 C ATOM 1485 O GLU A 88 35.655 3.346 14.002 1.00 0.00 O ATOM 1486 CB GLU A 88 34.304 5.699 13.389 1.00 0.00 C ATOM 1487 CG GLU A 88 33.978 5.751 14.872 1.00 0.00 C ATOM 1488 CD GLU A 88 34.396 7.058 15.517 1.00 0.00 C ATOM 1489 OE1 GLU A 88 35.608 7.242 15.753 1.00 0.00 O ATOM 1490 OE2 GLU A 88 33.510 7.897 15.784 1.00 0.00 O ATOM 0 H GLU A 88 32.026 4.220 13.633 1.00 0.00 H new ATOM 0 HA GLU A 88 34.254 4.389 11.687 1.00 0.00 H new ATOM 0 HB2 GLU A 88 35.374 5.857 13.255 1.00 0.00 H new ATOM 0 HB3 GLU A 88 33.795 6.521 12.885 1.00 0.00 H new ATOM 0 HG2 GLU A 88 32.906 5.609 15.009 1.00 0.00 H new ATOM 0 HG3 GLU A 88 34.476 4.925 15.379 1.00 0.00 H new ATOM 1497 N ASP A 89 33.897 2.064 13.432 1.00 0.00 N ATOM 1498 CA ASP A 89 34.416 0.869 14.087 1.00 0.00 C ATOM 1499 C ASP A 89 34.625 -0.256 13.078 1.00 0.00 C ATOM 1500 O ASP A 89 33.967 -0.301 12.038 1.00 0.00 O ATOM 1501 CB ASP A 89 33.461 0.410 15.191 1.00 0.00 C ATOM 1502 CG ASP A 89 33.151 1.514 16.183 1.00 0.00 C ATOM 1503 OD1 ASP A 89 34.023 2.382 16.397 1.00 0.00 O ATOM 1504 OD2 ASP A 89 32.036 1.509 16.745 1.00 0.00 O ATOM 0 H ASP A 89 32.994 1.936 12.976 1.00 0.00 H new ATOM 0 HA ASP A 89 35.379 1.118 14.532 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.533 0.058 14.741 1.00 0.00 H new ATOM 0 HB3 ASP A 89 33.900 -0.436 15.719 1.00 0.00 H new TER 1509 ASP A 89