USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 555 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 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 44:sc= 0.727 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 140:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 25 GLN : amide:sc= 0.158 X(o=0.16,f=-0.17) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 41 MET CE :methyl 163:sc= -6.52! (180deg=-7.74!) USER MOD Single : A 43 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.295) USER MOD Single : A 51 CYS SG : rot 180:sc= 0.149 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0.0166 X(o=0.017,f=-0.33) 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 ----------------------------------------------------------------- ATOM 1 N ARG A 1 -12.321 5.691 15.779 1.00 0.00 N ATOM 2 CA ARG A 1 -11.835 6.881 15.041 1.00 0.00 C ATOM 3 C ARG A 1 -12.942 7.322 14.050 1.00 0.00 C ATOM 4 O ARG A 1 -13.260 6.598 13.098 1.00 0.00 O ATOM 5 CB ARG A 1 -10.490 6.603 14.317 1.00 0.00 C ATOM 6 CG ARG A 1 -9.279 6.368 15.250 1.00 0.00 C ATOM 7 CD ARG A 1 -7.969 6.130 14.478 1.00 0.00 C ATOM 8 NE ARG A 1 -6.838 5.874 15.403 1.00 0.00 N ATOM 9 CZ ARG A 1 -5.567 5.649 15.016 1.00 0.00 C ATOM 10 NH1 ARG A 1 -5.165 5.634 13.746 1.00 0.00 N ATOM 11 NH2 ARG A 1 -4.663 5.430 15.953 1.00 0.00 N ATOM 0 H1 ARG A 1 -11.592 5.378 16.451 1.00 0.00 H new ATOM 0 H2 ARG A 1 -13.189 5.935 16.298 1.00 0.00 H new ATOM 0 H3 ARG A 1 -12.524 4.924 15.106 1.00 0.00 H new ATOM 0 HA ARG A 1 -11.631 7.688 15.745 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -10.613 5.728 13.679 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -10.267 7.446 13.663 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -9.158 7.231 15.905 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -9.480 5.508 15.889 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.090 5.282 13.805 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -7.746 6.999 13.859 1.00 0.00 H new ATOM 0 HE ARG A 1 -7.037 5.868 16.403 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -5.837 5.800 12.996 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -4.186 5.457 13.523 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -4.936 5.434 16.936 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -3.692 5.256 15.694 1.00 0.00 H new ATOM 24 N ARG A 2 -13.512 8.524 14.274 1.00 0.00 N ATOM 25 CA ARG A 2 -14.586 9.088 13.411 1.00 0.00 C ATOM 26 C ARG A 2 -13.937 9.823 12.202 1.00 0.00 C ATOM 27 O ARG A 2 -13.490 10.970 12.318 1.00 0.00 O ATOM 28 CB ARG A 2 -15.494 10.001 14.281 1.00 0.00 C ATOM 29 CG ARG A 2 -16.781 10.491 13.573 1.00 0.00 C ATOM 30 CD ARG A 2 -17.667 11.429 14.417 1.00 0.00 C ATOM 31 NE ARG A 2 -17.056 12.770 14.608 1.00 0.00 N ATOM 32 CZ ARG A 2 -17.631 13.784 15.283 1.00 0.00 C ATOM 33 NH1 ARG A 2 -18.826 13.706 15.866 1.00 0.00 N ATOM 34 NH2 ARG A 2 -16.969 14.923 15.374 1.00 0.00 N ATOM 0 H ARG A 2 -13.248 9.131 15.050 1.00 0.00 H new ATOM 0 HA ARG A 2 -15.222 8.307 12.995 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -15.775 9.458 15.183 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -14.917 10.869 14.599 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -16.500 11.008 12.656 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -17.371 9.622 13.281 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -18.637 11.541 13.932 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -17.848 10.974 15.391 1.00 0.00 H new ATOM 0 HE ARG A 2 -16.136 12.934 14.199 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -19.362 12.840 15.816 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -19.205 14.512 16.363 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -16.051 15.015 14.940 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -17.376 15.711 15.878 1.00 0.00 H new ATOM 47 N ARG A 3 -13.882 9.127 11.053 1.00 0.00 N ATOM 48 CA ARG A 3 -13.258 9.649 9.807 1.00 0.00 C ATOM 49 C ARG A 3 -13.782 8.849 8.581 1.00 0.00 C ATOM 50 O ARG A 3 -13.888 7.617 8.621 1.00 0.00 O ATOM 51 CB ARG A 3 -11.698 9.651 9.867 1.00 0.00 C ATOM 52 CG ARG A 3 -11.002 8.280 10.047 1.00 0.00 C ATOM 53 CD ARG A 3 -9.473 8.389 10.159 1.00 0.00 C ATOM 54 NE ARG A 3 -8.885 7.037 10.308 1.00 0.00 N ATOM 55 CZ ARG A 3 -7.644 6.785 10.759 1.00 0.00 C ATOM 56 NH1 ARG A 3 -6.780 7.728 11.131 1.00 0.00 N ATOM 57 NH2 ARG A 3 -7.265 5.524 10.838 1.00 0.00 N ATOM 0 H ARG A 3 -14.266 8.187 10.954 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.552 10.693 9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.324 10.103 8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.391 10.298 10.689 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.392 7.796 10.942 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.253 7.638 9.203 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.068 8.877 9.272 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.205 9.009 11.014 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.465 6.239 10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.046 8.711 11.082 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.852 7.467 11.464 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.906 4.780 10.562 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.331 5.292 11.175 1.00 0.00 H new ATOM 70 N LYS A 4 -14.066 9.566 7.478 1.00 0.00 N ATOM 71 CA LYS A 4 -14.532 8.950 6.206 1.00 0.00 C ATOM 72 C LYS A 4 -13.304 8.631 5.302 1.00 0.00 C ATOM 73 O LYS A 4 -12.688 7.576 5.485 1.00 0.00 O ATOM 74 CB LYS A 4 -15.745 9.717 5.593 1.00 0.00 C ATOM 75 CG LYS A 4 -15.613 11.238 5.329 1.00 0.00 C ATOM 76 CD LYS A 4 -16.898 11.857 4.744 1.00 0.00 C ATOM 77 CE LYS A 4 -16.764 13.369 4.487 1.00 0.00 C ATOM 78 NZ LYS A 4 -18.010 13.933 3.936 1.00 0.00 N ATOM 0 H LYS A 4 -13.982 10.582 7.435 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.984 7.972 6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.993 9.238 4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.597 9.570 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.364 11.744 6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.786 11.412 4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.146 11.354 3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.726 11.681 5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.513 13.877 5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.943 13.550 3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.887 14.953 3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.235 13.464 3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -18.788 13.780 4.609 1.00 0.00 H new ATOM 91 N LYS A 5 -12.923 9.528 4.377 1.00 0.00 N ATOM 92 CA LYS A 5 -11.794 9.313 3.437 1.00 0.00 C ATOM 93 C LYS A 5 -10.435 9.707 4.080 1.00 0.00 C ATOM 94 O LYS A 5 -10.253 10.856 4.497 1.00 0.00 O ATOM 95 CB LYS A 5 -12.108 10.132 2.151 1.00 0.00 C ATOM 96 CG LYS A 5 -11.121 10.002 0.966 1.00 0.00 C ATOM 97 CD LYS A 5 -10.947 8.595 0.352 1.00 0.00 C ATOM 98 CE LYS A 5 -12.187 7.952 -0.301 1.00 0.00 C ATOM 99 NZ LYS A 5 -12.602 8.628 -1.545 1.00 0.00 N ATOM 0 H LYS A 5 -13.387 10.428 4.254 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.694 8.257 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.097 9.840 1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.166 11.185 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.448 10.679 0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.143 10.350 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.160 8.650 -0.400 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.593 7.926 1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.975 6.905 -0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.014 7.970 0.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.439 8.151 -1.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.833 9.621 -1.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.826 8.589 -2.237 1.00 0.00 H new ATOM 112 N ARG A 6 -9.495 8.742 4.137 1.00 0.00 N ATOM 113 CA ARG A 6 -8.114 8.985 4.632 1.00 0.00 C ATOM 114 C ARG A 6 -7.176 9.025 3.401 1.00 0.00 C ATOM 115 O ARG A 6 -7.210 8.171 2.508 1.00 0.00 O ATOM 116 CB ARG A 6 -7.689 7.957 5.722 1.00 0.00 C ATOM 117 CG ARG A 6 -6.170 7.764 5.973 1.00 0.00 C ATOM 118 CD ARG A 6 -5.817 6.909 7.205 1.00 0.00 C ATOM 119 NE ARG A 6 -4.361 6.612 7.212 1.00 0.00 N ATOM 120 CZ ARG A 6 -3.622 6.332 8.302 1.00 0.00 C ATOM 121 NH1 ARG A 6 -4.097 6.316 9.541 1.00 0.00 N ATOM 122 NH2 ARG A 6 -2.343 6.058 8.132 1.00 0.00 N ATOM 0 H ARG A 6 -9.664 7.779 3.845 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.054 9.944 5.147 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.150 8.256 6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.111 6.989 5.453 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.727 7.303 5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.708 8.745 6.086 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.094 7.438 8.117 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.387 5.980 7.190 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.880 6.621 6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.081 6.525 9.713 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.479 6.095 10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.941 6.062 7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.756 5.842 8.938 1.00 0.00 H new ATOM 135 N THR A 7 -6.318 10.050 3.426 1.00 0.00 N ATOM 136 CA THR A 7 -5.244 10.234 2.406 1.00 0.00 C ATOM 137 C THR A 7 -3.947 10.679 3.148 1.00 0.00 C ATOM 138 O THR A 7 -3.432 11.784 2.941 1.00 0.00 O ATOM 139 CB THR A 7 -5.640 11.150 1.203 1.00 0.00 C ATOM 140 OG1 THR A 7 -5.663 12.528 1.569 1.00 0.00 O ATOM 141 CG2 THR A 7 -6.997 10.855 0.550 1.00 0.00 C ATOM 0 H THR A 7 -6.335 10.777 4.141 1.00 0.00 H new ATOM 0 HA THR A 7 -5.064 9.280 1.909 1.00 0.00 H new ATOM 0 HB THR A 7 -4.859 10.923 0.478 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.872 12.737 2.108 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.165 11.552 -0.271 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.002 9.834 0.167 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.789 10.969 1.290 1.00 0.00 H new ATOM 149 N SER A 8 -3.420 9.801 4.023 1.00 0.00 N ATOM 150 CA SER A 8 -2.224 10.101 4.841 1.00 0.00 C ATOM 151 C SER A 8 -1.394 8.810 4.957 1.00 0.00 C ATOM 152 O SER A 8 -1.844 7.792 5.493 1.00 0.00 O ATOM 153 CB SER A 8 -2.590 10.613 6.250 1.00 0.00 C ATOM 154 OG SER A 8 -3.313 11.838 6.191 1.00 0.00 O ATOM 0 H SER A 8 -3.806 8.871 4.184 1.00 0.00 H new ATOM 0 HA SER A 8 -1.658 10.895 4.354 1.00 0.00 H new ATOM 0 HB2 SER A 8 -3.187 9.862 6.767 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.681 10.754 6.834 1.00 0.00 H new ATOM 0 HG SER A 8 -3.530 12.134 7.100 1.00 0.00 H new ATOM 160 N ILE A 9 -0.143 8.907 4.496 1.00 0.00 N ATOM 161 CA ILE A 9 0.844 7.801 4.533 1.00 0.00 C ATOM 162 C ILE A 9 1.532 7.902 5.932 1.00 0.00 C ATOM 163 O ILE A 9 2.415 8.740 6.144 1.00 0.00 O ATOM 164 CB ILE A 9 1.754 8.000 3.256 1.00 0.00 C ATOM 165 CG1 ILE A 9 1.092 7.372 1.995 1.00 0.00 C ATOM 166 CG2 ILE A 9 3.260 7.660 3.359 1.00 0.00 C ATOM 167 CD1 ILE A 9 1.262 5.864 1.757 1.00 0.00 C ATOM 0 H ILE A 9 0.226 9.762 4.080 1.00 0.00 H new ATOM 0 HA ILE A 9 0.463 6.782 4.465 1.00 0.00 H new ATOM 0 HB ILE A 9 1.794 9.085 3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.024 7.583 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.482 7.893 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.742 7.851 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.721 8.281 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.379 6.609 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.744 5.580 0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.322 5.628 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.840 5.313 2.598 1.00 0.00 H new ATOM 179 N GLU A 10 1.068 7.077 6.896 1.00 0.00 N ATOM 180 CA GLU A 10 1.586 7.095 8.290 1.00 0.00 C ATOM 181 C GLU A 10 1.623 5.629 8.816 1.00 0.00 C ATOM 182 O GLU A 10 2.528 4.894 8.410 1.00 0.00 O ATOM 183 CB GLU A 10 0.823 8.177 9.126 1.00 0.00 C ATOM 184 CG GLU A 10 1.383 8.491 10.533 1.00 0.00 C ATOM 185 CD GLU A 10 2.777 9.128 10.535 1.00 0.00 C ATOM 186 OE1 GLU A 10 2.974 10.331 10.363 1.00 0.00 O ATOM 187 OE2 GLU A 10 3.769 8.204 10.745 1.00 0.00 O ATOM 0 H GLU A 10 0.334 6.387 6.738 1.00 0.00 H new ATOM 0 HA GLU A 10 2.620 7.429 8.374 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.809 9.103 8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.212 7.854 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.691 9.160 11.045 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.419 7.567 11.110 1.00 0.00 H new ATOM 195 N THR A 11 0.747 5.220 9.759 1.00 0.00 N ATOM 196 CA THR A 11 0.706 3.831 10.300 1.00 0.00 C ATOM 197 C THR A 11 -0.190 2.836 9.505 1.00 0.00 C ATOM 198 O THR A 11 0.297 2.186 8.580 1.00 0.00 O ATOM 199 CB THR A 11 0.538 3.785 11.852 1.00 0.00 C ATOM 200 OG1 THR A 11 -0.627 4.495 12.266 1.00 0.00 O ATOM 201 CG2 THR A 11 1.748 4.315 12.637 1.00 0.00 C ATOM 0 H THR A 11 0.047 5.837 10.170 1.00 0.00 H new ATOM 0 HA THR A 11 1.703 3.431 10.117 1.00 0.00 H new ATOM 0 HB THR A 11 0.443 2.725 12.086 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.709 4.449 13.241 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.546 4.247 13.706 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.628 3.719 12.395 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.929 5.356 12.368 1.00 0.00 H new ATOM 209 N ASN A 12 -1.482 2.713 9.878 1.00 0.00 N ATOM 210 CA ASN A 12 -2.388 1.639 9.375 1.00 0.00 C ATOM 211 C ASN A 12 -2.728 1.554 7.857 1.00 0.00 C ATOM 212 O ASN A 12 -2.828 0.423 7.372 1.00 0.00 O ATOM 213 CB ASN A 12 -3.640 1.494 10.283 1.00 0.00 C ATOM 214 CG ASN A 12 -4.643 2.668 10.313 1.00 0.00 C ATOM 215 OD1 ASN A 12 -4.520 3.586 11.123 1.00 0.00 O ATOM 216 ND2 ASN A 12 -5.649 2.656 9.451 1.00 0.00 N ATOM 0 H ASN A 12 -1.933 3.350 10.535 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.747 0.761 9.456 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -4.179 0.600 9.971 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.297 1.320 11.303 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.332 3.413 9.454 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.740 1.889 8.784 1.00 0.00 H new ATOM 223 N ILE A 13 -2.931 2.661 7.096 1.00 0.00 N ATOM 224 CA ILE A 13 -3.043 2.557 5.601 1.00 0.00 C ATOM 225 C ILE A 13 -1.658 2.112 5.002 1.00 0.00 C ATOM 226 O ILE A 13 -1.604 1.120 4.285 1.00 0.00 O ATOM 227 CB ILE A 13 -3.733 3.760 4.857 1.00 0.00 C ATOM 228 CG1 ILE A 13 -4.506 3.339 3.615 1.00 0.00 C ATOM 229 CG2 ILE A 13 -2.783 4.929 4.528 1.00 0.00 C ATOM 230 CD1 ILE A 13 -3.751 2.685 2.455 1.00 0.00 C ATOM 0 H ILE A 13 -3.019 3.607 7.467 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.776 1.775 5.400 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.451 4.131 5.588 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.285 2.646 3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.007 4.225 3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.338 5.716 4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.360 5.325 5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.979 4.574 3.883 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.450 2.448 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.991 3.372 2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.274 1.769 2.802 1.00 0.00 H new ATOM 242 N ARG A 14 -0.558 2.794 5.368 1.00 0.00 N ATOM 243 CA ARG A 14 0.830 2.494 4.925 1.00 0.00 C ATOM 244 C ARG A 14 1.342 1.035 5.067 1.00 0.00 C ATOM 245 O ARG A 14 1.962 0.505 4.154 1.00 0.00 O ATOM 246 CB ARG A 14 1.755 3.404 5.800 1.00 0.00 C ATOM 247 CG ARG A 14 2.675 4.340 5.032 1.00 0.00 C ATOM 248 CD ARG A 14 3.524 3.772 3.881 1.00 0.00 C ATOM 249 NE ARG A 14 4.411 2.643 4.275 1.00 0.00 N ATOM 250 CZ ARG A 14 5.735 2.728 4.499 1.00 0.00 C ATOM 251 NH1 ARG A 14 6.435 3.857 4.414 1.00 0.00 N ATOM 252 NH2 ARG A 14 6.378 1.622 4.824 1.00 0.00 N ATOM 0 H ARG A 14 -0.604 3.594 5.999 1.00 0.00 H new ATOM 0 HA ARG A 14 0.844 2.671 3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.126 4.002 6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.367 2.764 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.061 5.143 4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.357 4.794 5.751 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.859 3.436 3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.137 4.573 3.467 1.00 0.00 H new ATOM 0 HE ARG A 14 3.978 1.726 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.968 4.729 4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.438 3.850 4.597 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.871 0.740 4.898 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.382 1.649 5.001 1.00 0.00 H new ATOM 265 N VAL A 15 1.088 0.461 6.241 1.00 0.00 N ATOM 266 CA VAL A 15 1.405 -0.947 6.628 1.00 0.00 C ATOM 267 C VAL A 15 0.564 -1.979 5.817 1.00 0.00 C ATOM 268 O VAL A 15 1.106 -2.951 5.293 1.00 0.00 O ATOM 269 CB VAL A 15 1.278 -1.055 8.190 1.00 0.00 C ATOM 270 CG1 VAL A 15 -0.118 -1.380 8.747 1.00 0.00 C ATOM 271 CG2 VAL A 15 2.220 -2.082 8.805 1.00 0.00 C ATOM 0 H VAL A 15 0.634 0.974 6.997 1.00 0.00 H new ATOM 0 HA VAL A 15 2.430 -1.207 6.363 1.00 0.00 H new ATOM 0 HB VAL A 15 1.538 -0.036 8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.074 -1.427 9.835 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.820 -0.602 8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.451 -2.341 8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.079 -2.104 9.886 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.005 -3.067 8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.251 -1.811 8.579 1.00 0.00 H new ATOM 281 N ALA A 16 -0.755 -1.727 5.732 1.00 0.00 N ATOM 282 CA ALA A 16 -1.678 -2.441 4.819 1.00 0.00 C ATOM 283 C ALA A 16 -1.311 -2.284 3.311 1.00 0.00 C ATOM 284 O ALA A 16 -1.631 -3.203 2.561 1.00 0.00 O ATOM 285 CB ALA A 16 -3.117 -1.965 5.080 1.00 0.00 C ATOM 0 H ALA A 16 -1.218 -1.016 6.299 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.586 -3.505 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.800 -2.488 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.389 -2.178 6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.183 -0.892 4.901 1.00 0.00 H new ATOM 291 N LEU A 17 -0.665 -1.165 2.888 1.00 0.00 N ATOM 292 CA LEU A 17 -0.070 -1.000 1.534 1.00 0.00 C ATOM 293 C LEU A 17 1.259 -1.797 1.382 1.00 0.00 C ATOM 294 O LEU A 17 1.472 -2.450 0.359 1.00 0.00 O ATOM 295 CB LEU A 17 0.118 0.513 1.210 1.00 0.00 C ATOM 296 CG LEU A 17 -1.155 1.343 0.875 1.00 0.00 C ATOM 297 CD1 LEU A 17 -0.979 2.648 0.062 1.00 0.00 C ATOM 298 CD2 LEU A 17 -2.352 0.546 0.303 1.00 0.00 C ATOM 0 H LEU A 17 -0.541 -0.345 3.482 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.763 -1.420 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.609 0.981 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.803 0.593 0.366 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.392 1.650 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.952 3.114 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.331 3.333 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.530 2.417 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.181 1.226 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.055 0.060 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.664 -0.209 1.024 1.00 0.00 H new ATOM 310 N GLU A 18 2.133 -1.747 2.403 1.00 0.00 N ATOM 311 CA GLU A 18 3.395 -2.517 2.484 1.00 0.00 C ATOM 312 C GLU A 18 3.197 -4.060 2.386 1.00 0.00 C ATOM 313 O GLU A 18 3.871 -4.717 1.590 1.00 0.00 O ATOM 314 CB GLU A 18 4.264 -1.866 3.614 1.00 0.00 C ATOM 315 CG GLU A 18 4.686 -2.721 4.806 1.00 0.00 C ATOM 316 CD GLU A 18 5.640 -2.012 5.774 1.00 0.00 C ATOM 317 OE1 GLU A 18 6.843 -2.262 5.838 1.00 0.00 O ATOM 318 OE2 GLU A 18 5.004 -1.072 6.544 1.00 0.00 O ATOM 0 H GLU A 18 1.980 -1.154 3.219 1.00 0.00 H new ATOM 0 HA GLU A 18 4.021 -2.437 1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.171 -1.478 3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.712 -1.010 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.795 -3.031 5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.166 -3.628 4.438 1.00 0.00 H new ATOM 326 N LYS A 19 2.236 -4.615 3.134 1.00 0.00 N ATOM 327 CA LYS A 19 1.847 -6.046 3.047 1.00 0.00 C ATOM 328 C LYS A 19 0.954 -6.441 1.817 1.00 0.00 C ATOM 329 O LYS A 19 0.968 -7.605 1.407 1.00 0.00 O ATOM 330 CB LYS A 19 1.227 -6.327 4.444 1.00 0.00 C ATOM 331 CG LYS A 19 0.931 -7.781 4.842 1.00 0.00 C ATOM 332 CD LYS A 19 0.333 -7.833 6.268 1.00 0.00 C ATOM 333 CE LYS A 19 0.030 -9.269 6.731 1.00 0.00 C ATOM 334 NZ LYS A 19 -0.560 -9.288 8.081 1.00 0.00 N ATOM 0 H LYS A 19 1.698 -4.090 3.823 1.00 0.00 H new ATOM 0 HA LYS A 19 2.702 -6.689 2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.899 -5.910 5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.292 -5.770 4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.235 -8.226 4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.847 -8.370 4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.029 -7.369 6.967 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.585 -7.245 6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.654 -9.743 6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.949 -9.855 6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.752 -10.271 8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.104 -8.858 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.449 -8.749 8.079 1.00 0.00 H new ATOM 347 N SER A 20 0.222 -5.478 1.220 1.00 0.00 N ATOM 348 CA SER A 20 -0.467 -5.599 -0.107 1.00 0.00 C ATOM 349 C SER A 20 0.457 -6.071 -1.272 1.00 0.00 C ATOM 350 O SER A 20 0.076 -6.920 -2.080 1.00 0.00 O ATOM 351 CB SER A 20 -1.042 -4.200 -0.413 1.00 0.00 C ATOM 352 OG SER A 20 -2.401 -4.255 -0.826 1.00 0.00 O ATOM 0 H SER A 20 0.082 -4.564 1.650 1.00 0.00 H new ATOM 0 HA SER A 20 -1.233 -6.371 -0.039 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.959 -3.573 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.446 -3.727 -1.194 1.00 0.00 H new ATOM 0 HG SER A 20 -2.896 -3.512 -0.422 1.00 0.00 H new ATOM 358 N PHE A 21 1.673 -5.500 -1.302 1.00 0.00 N ATOM 359 CA PHE A 21 2.772 -5.872 -2.213 1.00 0.00 C ATOM 360 C PHE A 21 3.265 -7.346 -2.027 1.00 0.00 C ATOM 361 O PHE A 21 3.383 -8.103 -2.988 1.00 0.00 O ATOM 362 CB PHE A 21 3.898 -4.848 -1.902 1.00 0.00 C ATOM 363 CG PHE A 21 4.954 -4.793 -3.020 1.00 0.00 C ATOM 364 CD1 PHE A 21 4.762 -3.973 -4.139 1.00 0.00 C ATOM 365 CD2 PHE A 21 6.100 -5.578 -2.924 1.00 0.00 C ATOM 366 CE1 PHE A 21 5.715 -3.952 -5.156 1.00 0.00 C ATOM 367 CE2 PHE A 21 7.043 -5.552 -3.935 1.00 0.00 C ATOM 368 CZ PHE A 21 6.854 -4.747 -5.053 1.00 0.00 C ATOM 0 H PHE A 21 1.928 -4.740 -0.671 1.00 0.00 H new ATOM 0 HA PHE A 21 2.445 -5.838 -3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.461 -3.859 -1.768 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.380 -5.114 -0.961 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.877 -3.358 -4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.252 -6.207 -2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.571 -3.321 -6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.932 -6.161 -3.856 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.591 -4.738 -5.842 1.00 0.00 H new ATOM 378 N LEU A 22 3.539 -7.724 -0.770 1.00 0.00 N ATOM 379 CA LEU A 22 3.941 -9.097 -0.349 1.00 0.00 C ATOM 380 C LEU A 22 2.935 -10.253 -0.690 1.00 0.00 C ATOM 381 O LEU A 22 3.354 -11.410 -0.787 1.00 0.00 O ATOM 382 CB LEU A 22 4.348 -9.056 1.139 1.00 0.00 C ATOM 383 CG LEU A 22 5.450 -8.010 1.495 1.00 0.00 C ATOM 384 CD1 LEU A 22 5.764 -8.093 2.975 1.00 0.00 C ATOM 385 CD2 LEU A 22 6.757 -8.121 0.686 1.00 0.00 C ATOM 0 H LEU A 22 3.489 -7.073 0.013 1.00 0.00 H new ATOM 0 HA LEU A 22 4.797 -9.376 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.461 -8.844 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.700 -10.045 1.431 1.00 0.00 H new ATOM 0 HG LEU A 22 5.026 -7.043 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.534 -7.363 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.863 -7.882 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.122 -9.094 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.454 -7.349 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.202 -9.103 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.541 -7.990 -0.374 1.00 0.00 H new ATOM 397 N GLU A 23 1.642 -9.928 -0.916 1.00 0.00 N ATOM 398 CA GLU A 23 0.611 -10.869 -1.424 1.00 0.00 C ATOM 399 C GLU A 23 0.716 -10.883 -2.983 1.00 0.00 C ATOM 400 O GLU A 23 1.088 -11.911 -3.555 1.00 0.00 O ATOM 401 CB GLU A 23 -0.777 -10.425 -0.870 1.00 0.00 C ATOM 402 CG GLU A 23 -1.960 -11.377 -1.149 1.00 0.00 C ATOM 403 CD GLU A 23 -1.882 -12.717 -0.409 1.00 0.00 C ATOM 404 OE1 GLU A 23 -2.272 -12.875 0.747 1.00 0.00 O ATOM 405 OE2 GLU A 23 -1.328 -13.705 -1.182 1.00 0.00 O ATOM 0 H GLU A 23 1.277 -8.990 -0.749 1.00 0.00 H new ATOM 0 HA GLU A 23 0.757 -11.895 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.689 -10.295 0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.017 -9.448 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.887 -10.876 -0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.011 -11.570 -2.221 1.00 0.00 H new ATOM 413 N ASN A 24 0.418 -9.742 -3.636 1.00 0.00 N ATOM 414 CA ASN A 24 0.635 -9.530 -5.093 1.00 0.00 C ATOM 415 C ASN A 24 1.423 -8.215 -5.291 1.00 0.00 C ATOM 416 O ASN A 24 1.038 -7.139 -4.824 1.00 0.00 O ATOM 417 CB ASN A 24 -0.617 -9.554 -5.999 1.00 0.00 C ATOM 418 CG ASN A 24 -1.885 -8.794 -5.601 1.00 0.00 C ATOM 419 OD1 ASN A 24 -1.925 -7.943 -4.711 1.00 0.00 O ATOM 420 ND2 ASN A 24 -2.945 -9.088 -6.324 1.00 0.00 N ATOM 0 H ASN A 24 0.016 -8.930 -3.168 1.00 0.00 H new ATOM 0 HA ASN A 24 1.197 -10.403 -5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.313 -9.180 -6.977 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.898 -10.599 -6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.828 -8.607 -6.154 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.883 -9.797 -7.055 1.00 0.00 H new ATOM 427 N GLN A 25 2.546 -8.364 -5.998 1.00 0.00 N ATOM 428 CA GLN A 25 3.468 -7.232 -6.343 1.00 0.00 C ATOM 429 C GLN A 25 2.988 -6.327 -7.525 1.00 0.00 C ATOM 430 O GLN A 25 3.194 -5.111 -7.494 1.00 0.00 O ATOM 431 CB GLN A 25 4.908 -7.740 -6.584 1.00 0.00 C ATOM 432 CG GLN A 25 5.587 -8.450 -5.387 1.00 0.00 C ATOM 433 CD GLN A 25 7.083 -8.774 -5.547 1.00 0.00 C ATOM 434 OE1 GLN A 25 7.726 -8.512 -6.565 1.00 0.00 O ATOM 435 NE2 GLN A 25 7.672 -9.350 -4.511 1.00 0.00 N ATOM 0 H GLN A 25 2.859 -9.266 -6.357 1.00 0.00 H new ATOM 0 HA GLN A 25 3.455 -6.583 -5.467 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.892 -8.429 -7.428 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.527 -6.892 -6.876 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.465 -7.824 -4.503 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.054 -9.381 -5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.133 -9.564 -3.672 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.665 -9.580 -4.552 1.00 0.00 H new ATOM 444 N LYS A 26 2.353 -6.943 -8.538 1.00 0.00 N ATOM 445 CA LYS A 26 1.692 -6.269 -9.688 1.00 0.00 C ATOM 446 C LYS A 26 0.150 -6.289 -9.558 1.00 0.00 C ATOM 447 O LYS A 26 -0.499 -6.946 -10.380 1.00 0.00 O ATOM 448 CB LYS A 26 2.290 -6.779 -11.037 1.00 0.00 C ATOM 449 CG LYS A 26 2.187 -8.285 -11.403 1.00 0.00 C ATOM 450 CD LYS A 26 3.299 -9.194 -10.825 1.00 0.00 C ATOM 451 CE LYS A 26 3.196 -10.676 -11.237 1.00 0.00 C ATOM 452 NZ LYS A 26 2.079 -11.384 -10.581 1.00 0.00 N ATOM 0 H LYS A 26 2.279 -7.959 -8.587 1.00 0.00 H new ATOM 0 HA LYS A 26 1.919 -5.203 -9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.813 -6.216 -11.839 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.347 -6.513 -11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.223 -8.658 -11.059 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.196 -8.377 -12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.267 -8.808 -11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.273 -9.130 -9.737 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.073 -10.738 -12.318 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.131 -11.180 -10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.062 -12.374 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.206 -11.353 -9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.181 -10.924 -10.833 1.00 0.00 H new ATOM 465 N PRO A 27 -0.503 -5.523 -8.620 1.00 0.00 N ATOM 466 CA PRO A 27 -1.951 -5.313 -8.665 1.00 0.00 C ATOM 467 C PRO A 27 -2.155 -4.086 -9.596 1.00 0.00 C ATOM 468 O PRO A 27 -2.042 -2.932 -9.177 1.00 0.00 O ATOM 469 CB PRO A 27 -2.331 -5.064 -7.202 1.00 0.00 C ATOM 470 CG PRO A 27 -1.116 -4.325 -6.662 1.00 0.00 C ATOM 471 CD PRO A 27 0.080 -4.921 -7.397 1.00 0.00 C ATOM 0 HA PRO A 27 -2.564 -6.126 -9.054 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.239 -4.468 -7.115 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.509 -5.996 -6.666 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.195 -3.253 -6.844 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.022 -4.459 -5.584 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.817 -4.156 -7.643 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.588 -5.669 -6.789 1.00 0.00 H new ATOM 479 N THR A 28 -2.405 -4.377 -10.880 1.00 0.00 N ATOM 480 CA THR A 28 -2.692 -3.385 -11.917 1.00 0.00 C ATOM 481 C THR A 28 -3.541 -2.156 -11.564 1.00 0.00 C ATOM 482 O THR A 28 -4.284 -2.191 -10.589 1.00 0.00 O ATOM 483 CB THR A 28 -3.037 -4.048 -13.288 1.00 0.00 C ATOM 484 OG1 THR A 28 -4.281 -4.735 -13.208 1.00 0.00 O ATOM 485 CG2 THR A 28 -1.963 -5.010 -13.839 1.00 0.00 C ATOM 0 H THR A 28 -2.413 -5.334 -11.232 1.00 0.00 H new ATOM 0 HA THR A 28 -1.730 -2.883 -12.018 1.00 0.00 H new ATOM 0 HB THR A 28 -3.089 -3.217 -13.992 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.485 -5.144 -14.075 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.296 -5.418 -14.793 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.028 -4.468 -13.982 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.806 -5.824 -13.131 1.00 0.00 H new ATOM 493 N SER A 29 -3.428 -1.058 -12.331 1.00 0.00 N ATOM 494 CA SER A 29 -4.316 0.133 -12.154 1.00 0.00 C ATOM 495 C SER A 29 -5.843 -0.165 -11.937 1.00 0.00 C ATOM 496 O SER A 29 -6.532 0.603 -11.261 1.00 0.00 O ATOM 497 CB SER A 29 -4.151 1.012 -13.412 1.00 0.00 C ATOM 498 OG SER A 29 -3.081 1.936 -13.253 1.00 0.00 O ATOM 0 H SER A 29 -2.740 -0.958 -13.077 1.00 0.00 H new ATOM 0 HA SER A 29 -4.000 0.617 -11.230 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.964 0.379 -14.280 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.077 1.553 -13.606 1.00 0.00 H new ATOM 0 HG SER A 29 -2.995 2.480 -14.064 1.00 0.00 H new ATOM 504 N GLU A 30 -6.327 -1.277 -12.527 1.00 0.00 N ATOM 505 CA GLU A 30 -7.725 -1.771 -12.282 1.00 0.00 C ATOM 506 C GLU A 30 -7.807 -2.588 -10.960 1.00 0.00 C ATOM 507 O GLU A 30 -8.677 -2.345 -10.125 1.00 0.00 O ATOM 508 CB GLU A 30 -8.272 -2.556 -13.505 1.00 0.00 C ATOM 509 CG GLU A 30 -8.581 -1.683 -14.740 1.00 0.00 C ATOM 510 CD GLU A 30 -9.068 -2.506 -15.935 1.00 0.00 C ATOM 511 OE1 GLU A 30 -10.257 -2.699 -16.186 1.00 0.00 O ATOM 512 OE2 GLU A 30 -8.029 -2.997 -16.683 1.00 0.00 O ATOM 0 H GLU A 30 -5.788 -1.854 -13.172 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.374 -0.904 -12.157 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.545 -3.317 -13.787 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.182 -3.078 -13.208 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.339 -0.945 -14.478 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.685 -1.132 -15.024 1.00 0.00 H new ATOM 520 N GLU A 31 -6.885 -3.545 -10.794 1.00 0.00 N ATOM 521 CA GLU A 31 -6.680 -4.353 -9.569 1.00 0.00 C ATOM 522 C GLU A 31 -6.457 -3.584 -8.218 1.00 0.00 C ATOM 523 O GLU A 31 -6.838 -4.117 -7.172 1.00 0.00 O ATOM 524 CB GLU A 31 -5.463 -5.237 -9.974 1.00 0.00 C ATOM 525 CG GLU A 31 -5.219 -6.485 -9.092 1.00 0.00 C ATOM 526 CD GLU A 31 -6.385 -7.478 -9.009 1.00 0.00 C ATOM 527 OE1 GLU A 31 -6.563 -8.384 -9.822 1.00 0.00 O ATOM 528 OE2 GLU A 31 -7.196 -7.236 -7.929 1.00 0.00 O ATOM 0 H GLU A 31 -6.231 -3.793 -11.536 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.589 -4.894 -9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.602 -5.564 -11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.565 -4.619 -9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.344 -7.011 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.976 -6.152 -8.083 1.00 0.00 H new ATOM 536 N ILE A 32 -5.875 -2.360 -8.220 1.00 0.00 N ATOM 537 CA ILE A 32 -5.773 -1.486 -7.007 1.00 0.00 C ATOM 538 C ILE A 32 -7.180 -1.016 -6.489 1.00 0.00 C ATOM 539 O ILE A 32 -7.327 -0.831 -5.281 1.00 0.00 O ATOM 540 CB ILE A 32 -4.809 -0.258 -7.194 1.00 0.00 C ATOM 541 CG1 ILE A 32 -3.394 -0.605 -7.704 1.00 0.00 C ATOM 542 CG2 ILE A 32 -4.631 0.534 -5.888 1.00 0.00 C ATOM 543 CD1 ILE A 32 -2.324 0.450 -7.891 1.00 0.00 C ATOM 0 H ILE A 32 -5.462 -1.945 -9.055 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.325 -2.121 -6.242 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.313 0.331 -7.960 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.986 -1.347 -7.017 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.520 -1.098 -8.668 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.958 1.374 -6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.599 0.908 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.210 -0.117 -5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.411 -0.019 -8.257 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.666 1.191 -8.613 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.124 0.938 -6.937 1.00 0.00 H new ATOM 555 N THR A 33 -8.191 -0.834 -7.365 1.00 0.00 N ATOM 556 CA THR A 33 -9.584 -0.436 -6.973 1.00 0.00 C ATOM 557 C THR A 33 -10.219 -1.296 -5.815 1.00 0.00 C ATOM 558 O THR A 33 -10.903 -0.760 -4.941 1.00 0.00 O ATOM 559 CB THR A 33 -10.462 -0.296 -8.265 1.00 0.00 C ATOM 560 OG1 THR A 33 -11.356 0.798 -8.095 1.00 0.00 O ATOM 561 CG2 THR A 33 -11.311 -1.522 -8.648 1.00 0.00 C ATOM 0 H THR A 33 -8.076 -0.956 -8.371 1.00 0.00 H new ATOM 0 HA THR A 33 -9.537 0.544 -6.498 1.00 0.00 H new ATOM 0 HB THR A 33 -9.742 -0.160 -9.072 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.909 0.896 -8.898 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.873 -1.306 -9.556 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.658 -2.377 -8.821 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.004 -1.752 -7.838 1.00 0.00 H new ATOM 569 N MET A 34 -9.932 -2.611 -5.828 1.00 0.00 N ATOM 570 CA MET A 34 -10.266 -3.584 -4.758 1.00 0.00 C ATOM 571 C MET A 34 -9.547 -3.303 -3.398 1.00 0.00 C ATOM 572 O MET A 34 -10.186 -3.341 -2.345 1.00 0.00 O ATOM 573 CB MET A 34 -9.879 -4.958 -5.377 1.00 0.00 C ATOM 574 CG MET A 34 -10.435 -6.195 -4.657 1.00 0.00 C ATOM 575 SD MET A 34 -9.477 -6.538 -3.164 1.00 0.00 S ATOM 576 CE MET A 34 -10.403 -7.924 -2.478 1.00 0.00 C ATOM 0 H MET A 34 -9.443 -3.046 -6.610 1.00 0.00 H new ATOM 0 HA MET A 34 -11.318 -3.530 -4.477 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.221 -4.979 -6.412 1.00 0.00 H new ATOM 0 HB3 MET A 34 -8.792 -5.032 -5.399 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.481 -6.033 -4.396 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.403 -7.057 -5.324 1.00 0.00 H new ATOM 0 HE1 MET A 34 -9.934 -8.251 -1.550 1.00 0.00 H new ATOM 0 HE2 MET A 34 -11.428 -7.613 -2.277 1.00 0.00 H new ATOM 0 HE3 MET A 34 -10.408 -8.748 -3.192 1.00 0.00 H new ATOM 586 N ILE A 35 -8.230 -3.020 -3.450 1.00 0.00 N ATOM 587 CA ILE A 35 -7.388 -2.598 -2.277 1.00 0.00 C ATOM 588 C ILE A 35 -7.936 -1.283 -1.623 1.00 0.00 C ATOM 589 O ILE A 35 -8.119 -1.250 -0.403 1.00 0.00 O ATOM 590 CB ILE A 35 -5.857 -2.471 -2.643 1.00 0.00 C ATOM 591 CG1 ILE A 35 -5.283 -3.724 -3.368 1.00 0.00 C ATOM 592 CG2 ILE A 35 -4.974 -2.126 -1.410 1.00 0.00 C ATOM 593 CD1 ILE A 35 -3.903 -3.573 -3.995 1.00 0.00 C ATOM 0 H ILE A 35 -7.697 -3.075 -4.318 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.463 -3.394 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.815 -1.638 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.245 -4.545 -2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.983 -4.016 -4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.931 -2.051 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.297 -1.175 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.074 -2.910 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.614 -4.511 -4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.928 -2.781 -4.744 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.178 -3.318 -3.222 1.00 0.00 H new ATOM 605 N ALA A 36 -8.190 -0.225 -2.424 1.00 0.00 N ATOM 606 CA ALA A 36 -8.833 1.034 -1.936 1.00 0.00 C ATOM 607 C ALA A 36 -10.238 0.858 -1.275 1.00 0.00 C ATOM 608 O ALA A 36 -10.524 1.516 -0.270 1.00 0.00 O ATOM 609 CB ALA A 36 -8.882 2.065 -3.076 1.00 0.00 C ATOM 0 H ALA A 36 -7.961 -0.210 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.201 1.392 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.351 2.981 -2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.869 2.284 -3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.461 1.662 -3.907 1.00 0.00 H new ATOM 615 N ASP A 37 -11.082 -0.041 -1.825 1.00 0.00 N ATOM 616 CA ASP A 37 -12.392 -0.429 -1.226 1.00 0.00 C ATOM 617 C ASP A 37 -12.276 -1.164 0.150 1.00 0.00 C ATOM 618 O ASP A 37 -13.082 -0.903 1.046 1.00 0.00 O ATOM 619 CB ASP A 37 -13.144 -1.330 -2.245 1.00 0.00 C ATOM 620 CG ASP A 37 -14.668 -1.326 -2.066 1.00 0.00 C ATOM 621 OD1 ASP A 37 -15.273 -2.155 -1.387 1.00 0.00 O ATOM 622 OD2 ASP A 37 -15.266 -0.293 -2.742 1.00 0.00 O ATOM 0 H ASP A 37 -10.880 -0.524 -2.700 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.938 0.491 -1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.905 -0.998 -3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.779 -2.353 -2.151 1.00 0.00 H new ATOM 628 N GLN A 38 -11.273 -2.061 0.291 1.00 0.00 N ATOM 629 CA GLN A 38 -10.982 -2.822 1.542 1.00 0.00 C ATOM 630 C GLN A 38 -10.827 -1.913 2.805 1.00 0.00 C ATOM 631 O GLN A 38 -11.540 -2.156 3.783 1.00 0.00 O ATOM 632 CB GLN A 38 -9.757 -3.741 1.272 1.00 0.00 C ATOM 633 CG GLN A 38 -9.490 -4.808 2.356 1.00 0.00 C ATOM 634 CD GLN A 38 -8.305 -5.723 2.000 1.00 0.00 C ATOM 635 OE1 GLN A 38 -8.454 -6.707 1.277 1.00 0.00 O ATOM 636 NE2 GLN A 38 -7.112 -5.420 2.490 1.00 0.00 N ATOM 0 H GLN A 38 -10.630 -2.284 -0.469 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.841 -3.443 1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.903 -4.244 0.316 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.869 -3.117 1.171 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.291 -4.314 3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.385 -5.414 2.493 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.999 -4.602 3.089 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.306 -6.005 2.269 1.00 0.00 H new ATOM 645 N LEU A 39 -9.954 -0.876 2.778 1.00 0.00 N ATOM 646 CA LEU A 39 -9.879 0.139 3.867 1.00 0.00 C ATOM 647 C LEU A 39 -10.751 1.356 3.431 1.00 0.00 C ATOM 648 O LEU A 39 -11.935 1.172 3.119 1.00 0.00 O ATOM 649 CB LEU A 39 -8.416 0.324 4.384 1.00 0.00 C ATOM 650 CG LEU A 39 -7.261 1.021 3.594 1.00 0.00 C ATOM 651 CD1 LEU A 39 -5.891 0.366 3.884 1.00 0.00 C ATOM 652 CD2 LEU A 39 -7.338 1.187 2.089 1.00 0.00 C ATOM 0 H LEU A 39 -9.292 -0.718 2.018 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.333 -0.164 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.499 0.863 5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.054 -0.677 4.620 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.389 2.028 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.115 0.879 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.670 0.440 4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.920 -0.684 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.441 1.693 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.413 0.207 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.216 1.780 1.833 1.00 0.00 H new ATOM 664 N ASN A 40 -10.216 2.584 3.456 1.00 0.00 N ATOM 665 CA ASN A 40 -10.933 3.785 2.941 1.00 0.00 C ATOM 666 C ASN A 40 -9.849 4.793 2.467 1.00 0.00 C ATOM 667 O ASN A 40 -9.542 5.775 3.150 1.00 0.00 O ATOM 668 CB ASN A 40 -11.956 4.342 3.975 1.00 0.00 C ATOM 669 CG ASN A 40 -13.057 5.218 3.381 1.00 0.00 C ATOM 670 OD1 ASN A 40 -12.864 6.037 2.483 1.00 0.00 O ATOM 671 ND2 ASN A 40 -14.217 5.134 3.996 1.00 0.00 N ATOM 0 H ASN A 40 -9.287 2.784 3.826 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.565 3.542 2.087 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.419 3.503 4.494 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.415 4.921 4.724 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -14.981 5.756 3.731 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -14.353 4.447 4.737 1.00 0.00 H new ATOM 678 N MET A 41 -9.283 4.519 1.278 1.00 0.00 N ATOM 679 CA MET A 41 -8.158 5.308 0.710 1.00 0.00 C ATOM 680 C MET A 41 -8.550 6.159 -0.535 1.00 0.00 C ATOM 681 O MET A 41 -9.506 5.842 -1.254 1.00 0.00 O ATOM 682 CB MET A 41 -7.110 4.309 0.107 1.00 0.00 C ATOM 683 CG MET A 41 -5.653 4.688 0.390 1.00 0.00 C ATOM 684 SD MET A 41 -5.287 6.440 0.582 1.00 0.00 S ATOM 685 CE MET A 41 -4.249 6.247 2.029 1.00 0.00 C ATOM 0 H MET A 41 -9.586 3.750 0.681 1.00 0.00 H new ATOM 0 HA MET A 41 -7.812 5.941 1.527 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.300 3.313 0.508 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.257 4.252 -0.972 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.340 4.175 1.299 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.038 4.301 -0.422 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.653 7.148 2.172 1.00 0.00 H new ATOM 0 HE2 MET A 41 -4.875 6.082 2.906 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.587 5.393 1.890 1.00 0.00 H new ATOM 695 N GLU A 42 -7.713 7.174 -0.839 1.00 0.00 N ATOM 696 CA GLU A 42 -7.585 7.680 -2.231 1.00 0.00 C ATOM 697 C GLU A 42 -6.636 6.698 -2.970 1.00 0.00 C ATOM 698 O GLU A 42 -5.658 6.167 -2.435 1.00 0.00 O ATOM 699 CB GLU A 42 -7.117 9.137 -2.357 1.00 0.00 C ATOM 700 CG GLU A 42 -7.008 9.754 -3.766 1.00 0.00 C ATOM 701 CD GLU A 42 -6.599 11.229 -3.720 1.00 0.00 C ATOM 702 OE1 GLU A 42 -5.429 11.607 -3.673 1.00 0.00 O ATOM 703 OE2 GLU A 42 -7.684 12.069 -3.729 1.00 0.00 O ATOM 0 H GLU A 42 -7.125 7.654 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.576 7.709 -2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.800 9.756 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.137 9.213 -1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.278 9.194 -4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.966 9.660 -4.277 1.00 0.00 H new ATOM 711 N LYS A 43 -7.015 6.436 -4.210 1.00 0.00 N ATOM 712 CA LYS A 43 -6.221 5.550 -5.120 1.00 0.00 C ATOM 713 C LYS A 43 -5.032 6.159 -5.899 1.00 0.00 C ATOM 714 O LYS A 43 -4.057 5.470 -6.215 1.00 0.00 O ATOM 715 CB LYS A 43 -7.113 4.769 -6.076 1.00 0.00 C ATOM 716 CG LYS A 43 -6.565 3.332 -6.219 1.00 0.00 C ATOM 717 CD LYS A 43 -7.207 2.625 -7.428 1.00 0.00 C ATOM 718 CE LYS A 43 -6.795 3.104 -8.840 1.00 0.00 C ATOM 719 NZ LYS A 43 -5.355 2.956 -9.130 1.00 0.00 N ATOM 0 H LYS A 43 -7.864 6.813 -4.632 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.740 4.895 -4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.136 4.746 -5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.141 5.259 -7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.482 3.360 -6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.769 2.767 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.980 1.561 -7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.289 2.727 -7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.364 2.544 -9.582 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.071 4.153 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.960 3.878 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.864 2.608 -8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.225 2.278 -9.907 1.00 0.00 H new ATOM 732 N GLU A 44 -5.153 7.452 -6.209 1.00 0.00 N ATOM 733 CA GLU A 44 -4.015 8.296 -6.716 1.00 0.00 C ATOM 734 C GLU A 44 -2.707 8.193 -5.837 1.00 0.00 C ATOM 735 O GLU A 44 -1.593 8.306 -6.341 1.00 0.00 O ATOM 736 CB GLU A 44 -4.513 9.765 -6.735 1.00 0.00 C ATOM 737 CG GLU A 44 -3.710 10.715 -7.646 1.00 0.00 C ATOM 738 CD GLU A 44 -4.256 12.145 -7.626 1.00 0.00 C ATOM 739 OE1 GLU A 44 -4.996 12.600 -8.497 1.00 0.00 O ATOM 740 OE2 GLU A 44 -3.826 12.849 -6.529 1.00 0.00 O ATOM 0 H GLU A 44 -6.032 7.963 -6.124 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.735 7.936 -7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.555 9.775 -7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.487 10.154 -5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.667 10.723 -7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.729 10.336 -8.668 1.00 0.00 H new ATOM 748 N VAL A 45 -2.943 7.977 -4.537 1.00 0.00 N ATOM 749 CA VAL A 45 -1.990 7.590 -3.472 1.00 0.00 C ATOM 750 C VAL A 45 -1.409 6.145 -3.638 1.00 0.00 C ATOM 751 O VAL A 45 -0.197 5.969 -3.548 1.00 0.00 O ATOM 752 CB VAL A 45 -2.820 7.760 -2.135 1.00 0.00 C ATOM 753 CG1 VAL A 45 -2.627 6.744 -0.997 1.00 0.00 C ATOM 754 CG2 VAL A 45 -2.661 9.134 -1.517 1.00 0.00 C ATOM 0 H VAL A 45 -3.887 8.076 -4.164 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.095 8.212 -3.494 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.817 7.577 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.271 7.010 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.887 5.747 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.586 6.754 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.252 9.193 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.611 9.308 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.005 9.892 -2.221 1.00 0.00 H new ATOM 764 N ILE A 46 -2.277 5.125 -3.793 1.00 0.00 N ATOM 765 CA ILE A 46 -1.868 3.680 -3.785 1.00 0.00 C ATOM 766 C ILE A 46 -0.880 3.286 -4.930 1.00 0.00 C ATOM 767 O ILE A 46 0.206 2.809 -4.609 1.00 0.00 O ATOM 768 CB ILE A 46 -2.960 2.609 -3.571 1.00 0.00 C ATOM 769 CG1 ILE A 46 -3.952 3.056 -2.480 1.00 0.00 C ATOM 770 CG2 ILE A 46 -2.296 1.232 -3.214 1.00 0.00 C ATOM 771 CD1 ILE A 46 -5.027 2.045 -2.209 1.00 0.00 C ATOM 0 H ILE A 46 -3.279 5.264 -3.927 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.322 3.654 -2.842 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.524 2.486 -4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.404 3.251 -1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.414 3.996 -2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.072 0.482 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.643 0.921 -4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.711 1.336 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.692 2.421 -1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.598 1.868 -3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.573 1.111 -1.878 1.00 0.00 H new ATOM 783 N ARG A 47 -1.244 3.468 -6.222 1.00 0.00 N ATOM 784 CA ARG A 47 -0.337 3.221 -7.394 1.00 0.00 C ATOM 785 C ARG A 47 1.043 3.934 -7.281 1.00 0.00 C ATOM 786 O ARG A 47 2.075 3.346 -7.589 1.00 0.00 O ATOM 787 CB ARG A 47 -1.088 3.627 -8.703 1.00 0.00 C ATOM 788 CG ARG A 47 -0.570 2.977 -10.009 1.00 0.00 C ATOM 789 CD ARG A 47 0.589 3.727 -10.703 1.00 0.00 C ATOM 790 NE ARG A 47 1.203 2.935 -11.799 1.00 0.00 N ATOM 791 CZ ARG A 47 2.211 2.051 -11.644 1.00 0.00 C ATOM 792 NH1 ARG A 47 2.780 1.764 -10.473 1.00 0.00 N ATOM 793 NH2 ARG A 47 2.662 1.429 -12.718 1.00 0.00 N ATOM 0 H ARG A 47 -2.173 3.790 -6.493 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.098 2.158 -7.412 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.142 3.374 -8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.030 4.710 -8.811 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.242 1.962 -9.785 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.401 2.896 -10.710 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.218 4.670 -11.104 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.352 3.973 -9.965 1.00 0.00 H new ATOM 0 HE ARG A 47 0.835 3.069 -12.741 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.456 2.224 -9.622 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.539 1.084 -10.428 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.249 1.623 -13.630 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.423 0.755 -12.635 1.00 0.00 H new ATOM 806 N VAL A 48 1.007 5.180 -6.800 1.00 0.00 N ATOM 807 CA VAL A 48 2.163 6.017 -6.410 1.00 0.00 C ATOM 808 C VAL A 48 3.043 5.342 -5.299 1.00 0.00 C ATOM 809 O VAL A 48 4.246 5.190 -5.526 1.00 0.00 O ATOM 810 CB VAL A 48 1.490 7.405 -6.105 1.00 0.00 C ATOM 811 CG1 VAL A 48 1.908 8.123 -4.829 1.00 0.00 C ATOM 812 CG2 VAL A 48 1.548 8.338 -7.328 1.00 0.00 C ATOM 0 H VAL A 48 0.122 5.667 -6.661 1.00 0.00 H new ATOM 0 HA VAL A 48 2.934 6.151 -7.169 1.00 0.00 H new ATOM 0 HB VAL A 48 0.456 7.133 -5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.366 9.065 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.679 7.496 -3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.979 8.323 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.074 9.289 -7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.588 8.511 -7.604 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.023 7.875 -8.164 1.00 0.00 H new ATOM 822 N TRP A 49 2.472 4.918 -4.139 1.00 0.00 N ATOM 823 CA TRP A 49 3.212 4.110 -3.121 1.00 0.00 C ATOM 824 C TRP A 49 3.793 2.774 -3.697 1.00 0.00 C ATOM 825 O TRP A 49 4.945 2.449 -3.405 1.00 0.00 O ATOM 826 CB TRP A 49 2.321 3.813 -1.880 1.00 0.00 C ATOM 827 CG TRP A 49 3.122 3.262 -0.684 1.00 0.00 C ATOM 828 CD1 TRP A 49 3.993 4.014 0.132 1.00 0.00 C ATOM 829 CD2 TRP A 49 3.406 1.936 -0.397 1.00 0.00 C ATOM 830 NE1 TRP A 49 4.804 3.189 0.930 1.00 0.00 N ATOM 831 CE2 TRP A 49 4.432 1.904 0.579 1.00 0.00 C ATOM 832 CE3 TRP A 49 2.971 0.735 -1.013 1.00 0.00 C ATOM 833 CZ2 TRP A 49 5.047 0.676 0.918 1.00 0.00 C ATOM 834 CZ3 TRP A 49 3.653 -0.449 -0.723 1.00 0.00 C ATOM 835 CH2 TRP A 49 4.725 -0.452 0.175 1.00 0.00 C ATOM 0 H TRP A 49 1.505 5.120 -3.883 1.00 0.00 H new ATOM 0 HA TRP A 49 4.060 4.723 -2.815 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.811 4.728 -1.578 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.550 3.094 -2.156 1.00 0.00 H new ATOM 0 HD1 TRP A 49 4.032 5.093 0.142 1.00 0.00 H new ATOM 0 HE1 TRP A 49 5.507 3.473 1.612 1.00 0.00 H new ATOM 0 HE3 TRP A 49 2.131 0.736 -1.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.750 0.617 1.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.350 -1.371 -1.197 1.00 0.00 H new ATOM 0 HH2 TRP A 49 5.314 -1.349 0.293 1.00 0.00 H new ATOM 846 N PHE A 50 2.997 2.009 -4.474 1.00 0.00 N ATOM 847 CA PHE A 50 3.447 0.784 -5.172 1.00 0.00 C ATOM 848 C PHE A 50 4.611 1.017 -6.204 1.00 0.00 C ATOM 849 O PHE A 50 5.497 0.167 -6.314 1.00 0.00 O ATOM 850 CB PHE A 50 2.176 0.106 -5.776 1.00 0.00 C ATOM 851 CG PHE A 50 1.187 -0.682 -4.865 1.00 0.00 C ATOM 852 CD1 PHE A 50 1.609 -1.283 -3.679 1.00 0.00 C ATOM 853 CD2 PHE A 50 -0.092 -0.971 -5.333 1.00 0.00 C ATOM 854 CE1 PHE A 50 0.858 -2.273 -3.069 1.00 0.00 C ATOM 855 CE2 PHE A 50 -0.897 -1.887 -4.661 1.00 0.00 C ATOM 856 CZ PHE A 50 -0.382 -2.616 -3.589 1.00 0.00 C ATOM 0 H PHE A 50 2.014 2.226 -4.636 1.00 0.00 H new ATOM 0 HA PHE A 50 3.919 0.108 -4.459 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.601 0.887 -6.273 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.516 -0.581 -6.550 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.539 -0.970 -3.228 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.462 -0.482 -6.222 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.236 -2.777 -2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.921 -2.033 -4.970 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.942 -3.438 -3.168 1.00 0.00 H new ATOM 866 N CYS A 51 4.626 2.170 -6.911 1.00 0.00 N ATOM 867 CA CYS A 51 5.765 2.642 -7.756 1.00 0.00 C ATOM 868 C CYS A 51 7.096 2.952 -6.988 1.00 0.00 C ATOM 869 O CYS A 51 8.186 2.832 -7.551 1.00 0.00 O ATOM 870 CB CYS A 51 5.331 3.948 -8.466 1.00 0.00 C ATOM 871 SG CYS A 51 6.179 4.080 -10.072 1.00 0.00 S ATOM 0 H CYS A 51 3.836 2.816 -6.915 1.00 0.00 H new ATOM 0 HA CYS A 51 5.985 1.818 -8.434 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.251 3.953 -8.612 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.572 4.810 -7.844 1.00 0.00 H new ATOM 0 HG CYS A 51 5.812 5.176 -10.668 1.00 0.00 H new ATOM 877 N ASN A 52 6.969 3.350 -5.710 1.00 0.00 N ATOM 878 CA ASN A 52 8.100 3.635 -4.789 1.00 0.00 C ATOM 879 C ASN A 52 8.642 2.315 -4.135 1.00 0.00 C ATOM 880 O ASN A 52 9.859 2.121 -4.104 1.00 0.00 O ATOM 881 CB ASN A 52 7.595 4.679 -3.748 1.00 0.00 C ATOM 882 CG ASN A 52 8.719 5.475 -3.063 1.00 0.00 C ATOM 883 OD1 ASN A 52 9.452 4.963 -2.217 1.00 0.00 O ATOM 884 ND2 ASN A 52 8.861 6.746 -3.411 1.00 0.00 N ATOM 0 H ASN A 52 6.058 3.488 -5.272 1.00 0.00 H new ATOM 0 HA ASN A 52 8.952 4.053 -5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.922 5.377 -4.246 1.00 0.00 H new ATOM 0 HB3 ASN A 52 7.012 4.163 -2.985 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.586 7.316 -2.976 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.245 7.154 -4.114 1.00 0.00 H new ATOM 891 N ARG A 53 7.767 1.407 -3.644 1.00 0.00 N ATOM 892 CA ARG A 53 8.147 0.072 -3.119 1.00 0.00 C ATOM 893 C ARG A 53 8.812 -0.918 -4.136 1.00 0.00 C ATOM 894 O ARG A 53 9.711 -1.657 -3.734 1.00 0.00 O ATOM 895 CB ARG A 53 6.835 -0.488 -2.497 1.00 0.00 C ATOM 896 CG ARG A 53 6.869 -1.916 -1.917 1.00 0.00 C ATOM 897 CD ARG A 53 7.925 -2.173 -0.824 1.00 0.00 C ATOM 898 NE ARG A 53 7.542 -2.443 0.581 1.00 0.00 N ATOM 899 CZ ARG A 53 6.992 -3.590 1.023 1.00 0.00 C ATOM 900 NH1 ARG A 53 6.645 -4.600 0.240 1.00 0.00 N ATOM 901 NH2 ARG A 53 6.762 -3.716 2.308 1.00 0.00 N ATOM 0 H ARG A 53 6.763 1.582 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 53 8.956 0.182 -2.396 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.525 0.190 -1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.060 -0.456 -3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.886 -2.144 -1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.043 -2.616 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.524 -3.021 -1.157 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.583 -1.304 -0.810 1.00 0.00 H new ATOM 0 HE ARG A 53 7.707 -1.705 1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.790 -4.537 -0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.233 -5.441 0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.999 -2.956 2.945 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.346 -4.574 2.670 1.00 0.00 H new ATOM 914 N ARG A 54 8.380 -0.942 -5.410 1.00 0.00 N ATOM 915 CA ARG A 54 8.918 -1.860 -6.462 1.00 0.00 C ATOM 916 C ARG A 54 10.457 -1.914 -6.741 1.00 0.00 C ATOM 917 O ARG A 54 10.910 -2.948 -7.240 1.00 0.00 O ATOM 918 CB ARG A 54 8.092 -1.728 -7.772 1.00 0.00 C ATOM 919 CG ARG A 54 8.246 -0.402 -8.546 1.00 0.00 C ATOM 920 CD ARG A 54 7.537 -0.400 -9.914 1.00 0.00 C ATOM 921 NE ARG A 54 7.680 0.897 -10.624 1.00 0.00 N ATOM 922 CZ ARG A 54 8.744 1.266 -11.366 1.00 0.00 C ATOM 923 NH1 ARG A 54 9.821 0.505 -11.556 1.00 0.00 N ATOM 924 NH2 ARG A 54 8.720 2.455 -11.938 1.00 0.00 N ATOM 0 H ARG A 54 7.643 -0.326 -5.753 1.00 0.00 H new ATOM 0 HA ARG A 54 8.782 -2.835 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.371 -2.546 -8.436 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.038 -1.861 -7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.849 0.411 -7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.307 -0.199 -8.696 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.947 -1.197 -10.534 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.479 -0.619 -9.772 1.00 0.00 H new ATOM 0 HE ARG A 54 6.911 1.562 -10.544 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.875 -0.419 -11.127 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.592 0.846 -12.130 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.912 3.065 -11.812 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.509 2.764 -12.506 1.00 0.00 H new ATOM 937 N GLN A 55 11.251 -0.864 -6.436 1.00 0.00 N ATOM 938 CA GLN A 55 12.747 -0.922 -6.547 1.00 0.00 C ATOM 939 C GLN A 55 13.508 -1.473 -5.278 1.00 0.00 C ATOM 940 O GLN A 55 14.742 -1.477 -5.257 1.00 0.00 O ATOM 941 CB GLN A 55 13.324 0.410 -7.107 1.00 0.00 C ATOM 942 CG GLN A 55 13.171 1.709 -6.275 1.00 0.00 C ATOM 943 CD GLN A 55 11.899 2.547 -6.522 1.00 0.00 C ATOM 944 OE1 GLN A 55 10.925 2.121 -7.143 1.00 0.00 O ATOM 945 NE2 GLN A 55 11.885 3.773 -6.022 1.00 0.00 N ATOM 0 H GLN A 55 10.894 0.035 -6.112 1.00 0.00 H new ATOM 0 HA GLN A 55 12.952 -1.699 -7.284 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.389 0.258 -7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.861 0.586 -8.078 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.202 1.442 -5.219 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.037 2.341 -6.469 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.693 4.123 -5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.066 4.367 -6.151 1.00 0.00 H new ATOM 954 N LYS A 56 12.781 -1.948 -4.245 1.00 0.00 N ATOM 955 CA LYS A 56 13.312 -2.678 -3.075 1.00 0.00 C ATOM 956 C LYS A 56 12.056 -3.310 -2.438 1.00 0.00 C ATOM 957 O LYS A 56 11.317 -2.742 -1.627 1.00 0.00 O ATOM 958 CB LYS A 56 14.273 -2.045 -2.060 1.00 0.00 C ATOM 959 CG LYS A 56 13.965 -0.667 -1.422 1.00 0.00 C ATOM 960 CD LYS A 56 14.148 0.591 -2.294 1.00 0.00 C ATOM 961 CE LYS A 56 15.604 0.872 -2.717 1.00 0.00 C ATOM 962 NZ LYS A 56 15.707 2.107 -3.514 1.00 0.00 N ATOM 0 H LYS A 56 11.769 -1.829 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 56 14.065 -3.363 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 56 14.388 -2.757 -1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.244 -1.961 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.933 -0.684 -1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.598 -0.558 -0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.536 0.488 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.769 1.454 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 56 16.232 0.957 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.984 0.031 -3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.699 2.266 -3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.127 2.015 -4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.367 2.913 -2.951 1.00 0.00 H new ATOM 975 N GLU A 57 11.878 -4.530 -2.915 1.00 0.00 N ATOM 976 CA GLU A 57 10.692 -5.388 -2.659 1.00 0.00 C ATOM 977 C GLU A 57 10.623 -5.973 -1.224 1.00 0.00 C ATOM 978 O GLU A 57 9.645 -5.732 -0.511 1.00 0.00 O ATOM 979 CB GLU A 57 10.616 -6.490 -3.757 1.00 0.00 C ATOM 980 CG GLU A 57 10.247 -5.954 -5.166 1.00 0.00 C ATOM 981 CD GLU A 57 11.402 -5.951 -6.172 1.00 0.00 C ATOM 982 OE1 GLU A 57 12.362 -5.185 -6.094 1.00 0.00 O ATOM 983 OE2 GLU A 57 11.236 -6.884 -7.162 1.00 0.00 O ATOM 0 H GLU A 57 12.568 -4.983 -3.514 1.00 0.00 H new ATOM 0 HA GLU A 57 9.809 -4.752 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.578 -6.999 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.879 -7.235 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.434 -6.559 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.868 -4.937 -5.065 1.00 0.00 H new ATOM 991 N LYS A 58 11.652 -6.741 -0.830 1.00 0.00 N ATOM 992 CA LYS A 58 11.731 -7.379 0.513 1.00 0.00 C ATOM 993 C LYS A 58 13.160 -7.261 1.087 1.00 0.00 C ATOM 994 O LYS A 58 13.477 -6.406 1.919 1.00 0.00 O ATOM 995 CB LYS A 58 11.020 -8.771 0.522 1.00 0.00 C ATOM 996 CG LYS A 58 10.905 -9.493 1.885 1.00 0.00 C ATOM 997 CD LYS A 58 10.009 -8.791 2.925 1.00 0.00 C ATOM 998 CE LYS A 58 9.858 -9.607 4.221 1.00 0.00 C ATOM 999 NZ LYS A 58 8.987 -8.917 5.189 1.00 0.00 N ATOM 0 H LYS A 58 12.455 -6.942 -1.425 1.00 0.00 H new ATOM 0 HA LYS A 58 11.143 -6.835 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.014 -8.640 0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.553 -9.428 -0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.518 -10.498 1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.905 -9.603 2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.430 -7.814 3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.024 -8.617 2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.443 -10.588 3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.839 -9.773 4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.904 -9.491 6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.397 -7.991 5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.044 -8.781 4.772 1.00 0.00 H new ATOM 1012 N ARG A 59 13.986 -8.143 0.560 1.00 0.00 N ATOM 1013 CA ARG A 59 15.411 -8.312 0.960 1.00 0.00 C ATOM 1014 C ARG A 59 16.298 -7.309 0.164 1.00 0.00 C ATOM 1015 O ARG A 59 16.752 -6.315 0.736 1.00 0.00 O ATOM 1016 CB ARG A 59 15.897 -9.793 0.862 1.00 0.00 C ATOM 1017 CG ARG A 59 15.120 -10.858 1.675 1.00 0.00 C ATOM 1018 CD ARG A 59 14.006 -11.561 0.871 1.00 0.00 C ATOM 1019 NE ARG A 59 13.213 -12.472 1.730 1.00 0.00 N ATOM 1020 CZ ARG A 59 12.097 -13.115 1.336 1.00 0.00 C ATOM 1021 NH1 ARG A 59 11.575 -13.024 0.113 1.00 0.00 N ATOM 1022 NH2 ARG A 59 11.478 -13.878 2.218 1.00 0.00 N ATOM 0 H ARG A 59 13.700 -8.788 -0.177 1.00 0.00 H new ATOM 0 HA ARG A 59 15.506 -8.072 2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 59 15.871 -10.086 -0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 59 16.940 -9.826 1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 59 15.822 -11.608 2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.679 -10.383 2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.349 -10.814 0.426 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.448 -12.125 0.050 1.00 0.00 H new ATOM 0 HE ARG A 59 13.535 -12.622 2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.025 -12.439 -0.591 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.726 -13.539 -0.119 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.848 -13.966 3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.630 -14.379 1.953 1.00 0.00 H new ATOM 1035 N ILE A 60 16.518 -7.567 -1.138 1.00 0.00 N ATOM 1036 CA ILE A 60 17.275 -6.665 -2.052 1.00 0.00 C ATOM 1037 C ILE A 60 16.238 -6.309 -3.153 1.00 0.00 C ATOM 1038 O ILE A 60 15.519 -5.314 -3.040 1.00 0.00 O ATOM 1039 CB ILE A 60 18.691 -7.227 -2.465 1.00 0.00 C ATOM 1040 CG1 ILE A 60 19.631 -7.477 -1.243 1.00 0.00 C ATOM 1041 CG2 ILE A 60 19.395 -6.291 -3.484 1.00 0.00 C ATOM 1042 CD1 ILE A 60 20.895 -8.305 -1.528 1.00 0.00 C ATOM 0 H ILE A 60 16.177 -8.411 -1.598 1.00 0.00 H new ATOM 0 HA ILE A 60 17.627 -5.738 -1.600 1.00 0.00 H new ATOM 0 HB ILE A 60 18.500 -8.192 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 60 19.936 -6.511 -0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 60 19.058 -7.981 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 60 20.368 -6.706 -3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.782 -6.203 -4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 60 19.530 -5.305 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 60 21.472 -8.416 -0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 60 20.609 -9.290 -1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 60 21.501 -7.797 -2.278 1.00 0.00 H new ATOM 1054 N ASP A 61 16.178 -7.151 -4.186 1.00 0.00 N ATOM 1055 CA ASP A 61 15.215 -7.030 -5.311 1.00 0.00 C ATOM 1056 C ASP A 61 14.753 -8.476 -5.630 1.00 0.00 C ATOM 1057 O ASP A 61 15.487 -9.253 -6.253 1.00 0.00 O ATOM 1058 CB ASP A 61 15.822 -6.324 -6.555 1.00 0.00 C ATOM 1059 CG ASP A 61 15.974 -4.803 -6.420 1.00 0.00 C ATOM 1060 OD1 ASP A 61 15.104 -4.005 -6.766 1.00 0.00 O ATOM 1061 OD2 ASP A 61 17.180 -4.445 -5.875 1.00 0.00 O ATOM 0 H ASP A 61 16.802 -7.953 -4.277 1.00 0.00 H new ATOM 0 HA ASP A 61 14.375 -6.396 -5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.802 -6.756 -6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 61 15.193 -6.537 -7.419 1.00 0.00 H new ATOM 1067 N ILE A 62 13.533 -8.820 -5.178 1.00 0.00 N ATOM 1068 CA ILE A 62 12.936 -10.172 -5.357 1.00 0.00 C ATOM 1069 C ILE A 62 11.573 -9.967 -6.059 1.00 0.00 C ATOM 1070 O ILE A 62 10.606 -9.414 -5.536 1.00 0.00 O ATOM 1071 CB ILE A 62 12.915 -10.964 -4.000 1.00 0.00 C ATOM 1072 CG1 ILE A 62 12.678 -12.497 -4.143 1.00 0.00 C ATOM 1073 CG2 ILE A 62 12.056 -10.353 -2.864 1.00 0.00 C ATOM 1074 CD1 ILE A 62 11.277 -12.982 -4.558 1.00 0.00 C ATOM 1075 OXT ILE A 62 11.569 -10.464 -7.337 1.00 0.00 O ATOM 0 H ILE A 62 12.926 -8.172 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 62 13.533 -10.821 -5.998 1.00 0.00 H new ATOM 0 HB ILE A 62 13.946 -10.836 -3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 62 13.392 -12.877 -4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 62 12.922 -12.962 -3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 62 12.119 -10.986 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 62 12.426 -9.356 -2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 62 11.018 -10.286 -3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.271 -14.071 -4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.545 -12.653 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 62 11.022 -12.567 -5.533 1.00 0.00 H new TER 1088 ILE A 62