USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 505 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 THR OG1 : rot -67:sc= 0.422 USER MOD Set 1.2: A 16 LYS NZ :NH3+ 175:sc= 1.52 (180deg=0.292) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.107 (180deg=-0.545) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.22 (180deg=-0.0701) USER MOD Single : A 2 SER OG : rot 180:sc= 0.301 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -157:sc= 1.25 (180deg=0.788) USER MOD Single : A 9 LYS NZ :NH3+ -160:sc= 1.05 (180deg=0.898) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.2) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 173:sc=-0.000853 (180deg=-0.0666) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0.679 (180deg=0.664) USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.26) USER MOD Single : A 46 THR OG1 : rot -77:sc= -0.974! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -131:sc= 1.31 USER MOD Single : A 52 HIS : no HE2:sc= 0.915 K(o=0.91,f=-4.1!) USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= 0.603 (180deg=-0.97!) USER MOD Single : A 58 TYR OH : rot 53:sc= -0.264! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.532 -0.605 -3.489 1.00 0.00 N ATOM 2 CA MET A 1 -10.904 -0.586 -2.979 1.00 0.00 C ATOM 3 C MET A 1 -10.850 -0.419 -1.487 1.00 0.00 C ATOM 4 O MET A 1 -9.753 -0.445 -0.917 1.00 0.00 O ATOM 5 CB MET A 1 -11.667 -1.871 -3.344 1.00 0.00 C ATOM 6 CG MET A 1 -11.819 -2.108 -4.837 1.00 0.00 C ATOM 7 SD MET A 1 -12.735 -3.615 -5.236 1.00 0.00 S ATOM 8 CE MET A 1 -14.345 -3.236 -4.534 1.00 0.00 C ATOM 0 H1 MET A 1 -9.428 0.114 -4.234 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.871 -0.398 -2.714 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.321 -1.544 -3.883 1.00 0.00 H new ATOM 0 HA MET A 1 -11.441 0.244 -3.438 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.150 -2.724 -2.904 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.658 -1.831 -2.892 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.328 -1.254 -5.283 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.830 -2.162 -5.291 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.097 -3.890 -4.975 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.317 -3.391 -3.455 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.598 -2.197 -4.745 1.00 0.00 H new ATOM 20 N SER A 2 -12.021 -0.236 -0.854 1.00 0.00 N ATOM 21 CA SER A 2 -12.121 -0.031 0.588 1.00 0.00 C ATOM 22 C SER A 2 -11.375 1.284 0.955 1.00 0.00 C ATOM 23 O SER A 2 -11.210 2.166 0.095 1.00 0.00 O ATOM 24 CB SER A 2 -11.546 -1.277 1.335 1.00 0.00 C ATOM 25 OG SER A 2 -11.775 -1.228 2.740 1.00 0.00 O ATOM 0 H SER A 2 -12.921 -0.227 -1.334 1.00 0.00 H new ATOM 0 HA SER A 2 -13.161 0.074 0.899 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.999 -2.181 0.928 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.474 -1.346 1.148 1.00 0.00 H new ATOM 0 HG SER A 2 -11.399 -2.029 3.161 1.00 0.00 H new ATOM 31 N SER A 3 -10.981 1.432 2.185 1.00 0.00 N ATOM 32 CA SER A 3 -10.233 2.577 2.613 1.00 0.00 C ATOM 33 C SER A 3 -9.160 2.108 3.570 1.00 0.00 C ATOM 34 O SER A 3 -9.469 1.615 4.662 1.00 0.00 O ATOM 35 CB SER A 3 -11.153 3.619 3.289 1.00 0.00 C ATOM 36 OG SER A 3 -10.434 4.803 3.650 1.00 0.00 O ATOM 0 H SER A 3 -11.171 0.757 2.925 1.00 0.00 H new ATOM 0 HA SER A 3 -9.777 3.063 1.750 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.967 3.879 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.606 3.182 4.179 1.00 0.00 H new ATOM 0 HG SER A 3 -11.046 5.441 4.073 1.00 0.00 H new ATOM 42 N GLY A 4 -7.924 2.200 3.144 1.00 0.00 N ATOM 43 CA GLY A 4 -6.836 1.809 3.982 1.00 0.00 C ATOM 44 C GLY A 4 -6.249 3.007 4.655 1.00 0.00 C ATOM 45 O GLY A 4 -6.636 3.340 5.781 1.00 0.00 O ATOM 0 H GLY A 4 -7.655 2.543 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.181 1.095 4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.073 1.305 3.389 1.00 0.00 H new ATOM 49 N LYS A 5 -5.371 3.690 3.932 1.00 0.00 N ATOM 50 CA LYS A 5 -4.670 4.883 4.396 1.00 0.00 C ATOM 51 C LYS A 5 -3.916 4.619 5.691 1.00 0.00 C ATOM 52 O LYS A 5 -4.345 4.998 6.782 1.00 0.00 O ATOM 53 CB LYS A 5 -5.603 6.107 4.498 1.00 0.00 C ATOM 54 CG LYS A 5 -6.238 6.528 3.165 1.00 0.00 C ATOM 55 CD LYS A 5 -5.185 6.973 2.153 1.00 0.00 C ATOM 56 CE LYS A 5 -5.817 7.404 0.836 1.00 0.00 C ATOM 57 NZ LYS A 5 -4.795 7.795 -0.167 1.00 0.00 N ATOM 0 H LYS A 5 -5.119 3.423 2.980 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.926 5.132 3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.397 5.886 5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.038 6.948 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.808 5.695 2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.943 7.341 3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.608 7.800 2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.486 6.156 1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.421 6.588 0.439 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.490 8.242 1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.266 8.082 -1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.234 8.590 0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.168 6.987 -0.356 1.00 0.00 H new ATOM 71 N LYS A 6 -2.834 3.896 5.561 1.00 0.00 N ATOM 72 CA LYS A 6 -2.020 3.509 6.685 1.00 0.00 C ATOM 73 C LYS A 6 -0.598 4.034 6.463 1.00 0.00 C ATOM 74 O LYS A 6 0.169 3.465 5.680 1.00 0.00 O ATOM 75 CB LYS A 6 -2.011 1.981 6.796 1.00 0.00 C ATOM 76 CG LYS A 6 -3.398 1.359 6.724 1.00 0.00 C ATOM 77 CD LYS A 6 -3.345 -0.151 6.697 1.00 0.00 C ATOM 78 CE LYS A 6 -4.731 -0.728 6.477 1.00 0.00 C ATOM 79 NZ LYS A 6 -4.718 -2.196 6.466 1.00 0.00 N ATOM 0 H LYS A 6 -2.489 3.556 4.663 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.420 3.927 7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.395 1.570 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.542 1.696 7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.986 1.685 7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.910 1.719 5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.676 -0.483 5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.935 -0.523 7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.399 -0.377 7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.131 -0.361 5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.548 -2.547 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.851 -2.532 6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.746 -2.551 7.443 1.00 0.00 H new ATOM 93 N PRO A 7 -0.248 5.152 7.080 1.00 0.00 N ATOM 94 CA PRO A 7 1.065 5.748 6.911 1.00 0.00 C ATOM 95 C PRO A 7 2.174 4.951 7.600 1.00 0.00 C ATOM 96 O PRO A 7 2.010 4.445 8.731 1.00 0.00 O ATOM 97 CB PRO A 7 0.920 7.137 7.524 1.00 0.00 C ATOM 98 CG PRO A 7 -0.192 7.017 8.499 1.00 0.00 C ATOM 99 CD PRO A 7 -1.104 5.936 7.988 1.00 0.00 C ATOM 0 HA PRO A 7 1.362 5.771 5.862 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.842 7.449 8.015 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.696 7.883 6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.188 6.766 9.489 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.727 7.962 8.593 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.492 5.322 8.801 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.965 6.353 7.465 1.00 0.00 H new ATOM 107 N VAL A 8 3.285 4.836 6.926 1.00 0.00 N ATOM 108 CA VAL A 8 4.425 4.117 7.427 1.00 0.00 C ATOM 109 C VAL A 8 5.653 5.029 7.357 1.00 0.00 C ATOM 110 O VAL A 8 5.754 5.864 6.448 1.00 0.00 O ATOM 111 CB VAL A 8 4.670 2.797 6.597 1.00 0.00 C ATOM 112 CG1 VAL A 8 5.020 3.085 5.142 1.00 0.00 C ATOM 113 CG2 VAL A 8 5.722 1.905 7.250 1.00 0.00 C ATOM 0 H VAL A 8 3.426 5.244 6.002 1.00 0.00 H new ATOM 0 HA VAL A 8 4.240 3.826 8.461 1.00 0.00 H new ATOM 0 HB VAL A 8 3.726 2.252 6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.179 2.145 4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.202 3.632 4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.929 3.684 5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.862 1.007 6.648 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.666 2.446 7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.391 1.624 8.250 1.00 0.00 H new ATOM 123 N LYS A 9 6.529 4.937 8.340 1.00 0.00 N ATOM 124 CA LYS A 9 7.772 5.658 8.289 1.00 0.00 C ATOM 125 C LYS A 9 8.673 4.971 7.303 1.00 0.00 C ATOM 126 O LYS A 9 9.187 3.869 7.557 1.00 0.00 O ATOM 127 CB LYS A 9 8.419 5.753 9.669 1.00 0.00 C ATOM 128 CG LYS A 9 7.847 6.849 10.554 1.00 0.00 C ATOM 129 CD LYS A 9 8.408 6.793 11.967 1.00 0.00 C ATOM 130 CE LYS A 9 7.751 5.697 12.793 1.00 0.00 C ATOM 131 NZ LYS A 9 6.330 6.003 13.079 1.00 0.00 N ATOM 0 H LYS A 9 6.397 4.370 9.178 1.00 0.00 H new ATOM 0 HA LYS A 9 7.590 6.683 7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.306 4.795 10.177 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.488 5.923 9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.068 7.822 10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.762 6.755 10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.483 6.621 11.924 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.258 7.756 12.456 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.819 4.749 12.259 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.293 5.574 13.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.012 5.442 13.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.229 7.016 13.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.750 5.766 12.249 1.00 0.00 H new ATOM 145 N VAL A 10 8.863 5.609 6.198 1.00 0.00 N ATOM 146 CA VAL A 10 9.571 5.042 5.107 1.00 0.00 C ATOM 147 C VAL A 10 10.795 5.878 4.753 1.00 0.00 C ATOM 148 O VAL A 10 10.794 7.113 4.908 1.00 0.00 O ATOM 149 CB VAL A 10 8.614 4.870 3.880 1.00 0.00 C ATOM 150 CG1 VAL A 10 7.998 6.194 3.446 1.00 0.00 C ATOM 151 CG2 VAL A 10 9.303 4.201 2.715 1.00 0.00 C ATOM 0 H VAL A 10 8.524 6.556 6.027 1.00 0.00 H new ATOM 0 HA VAL A 10 9.932 4.056 5.398 1.00 0.00 H new ATOM 0 HB VAL A 10 7.806 4.218 4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.341 6.027 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.422 6.615 4.270 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.789 6.889 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.602 4.102 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.154 4.805 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.650 3.213 3.016 1.00 0.00 H new ATOM 161 N LYS A 11 11.840 5.201 4.345 1.00 0.00 N ATOM 162 CA LYS A 11 13.042 5.836 3.906 1.00 0.00 C ATOM 163 C LYS A 11 12.854 6.415 2.520 1.00 0.00 C ATOM 164 O LYS A 11 12.624 5.694 1.542 1.00 0.00 O ATOM 165 CB LYS A 11 14.226 4.866 3.959 1.00 0.00 C ATOM 166 CG LYS A 11 14.677 4.555 5.375 1.00 0.00 C ATOM 167 CD LYS A 11 15.762 3.500 5.415 1.00 0.00 C ATOM 168 CE LYS A 11 16.379 3.395 6.808 1.00 0.00 C ATOM 169 NZ LYS A 11 15.391 3.068 7.865 1.00 0.00 N ATOM 0 H LYS A 11 11.873 4.182 4.311 1.00 0.00 H new ATOM 0 HA LYS A 11 13.270 6.658 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.950 3.937 3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.062 5.291 3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.043 5.467 5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.822 4.216 5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.346 2.535 5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.537 3.744 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.155 2.630 6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.865 4.339 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.878 2.978 8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.682 3.826 7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.920 2.170 7.634 1.00 0.00 H new ATOM 183 N THR A 12 12.940 7.702 2.457 1.00 0.00 N ATOM 184 CA THR A 12 12.775 8.457 1.245 1.00 0.00 C ATOM 185 C THR A 12 14.120 8.480 0.480 1.00 0.00 C ATOM 186 O THR A 12 15.167 8.244 1.096 1.00 0.00 O ATOM 187 CB THR A 12 12.294 9.894 1.595 1.00 0.00 C ATOM 188 OG1 THR A 12 13.230 10.514 2.477 1.00 0.00 O ATOM 189 CG2 THR A 12 10.938 9.858 2.289 1.00 0.00 C ATOM 0 H THR A 12 13.134 8.283 3.272 1.00 0.00 H new ATOM 0 HA THR A 12 12.023 7.996 0.605 1.00 0.00 H new ATOM 0 HB THR A 12 12.212 10.457 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.225 10.048 3.339 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.622 10.875 2.524 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.204 9.393 1.630 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.016 9.280 3.210 1.00 0.00 H new ATOM 197 N PRO A 13 14.130 8.820 -0.838 1.00 0.00 N ATOM 198 CA PRO A 13 15.338 8.720 -1.701 1.00 0.00 C ATOM 199 C PRO A 13 16.534 9.557 -1.232 1.00 0.00 C ATOM 200 O PRO A 13 17.666 9.305 -1.633 1.00 0.00 O ATOM 201 CB PRO A 13 14.854 9.235 -3.064 1.00 0.00 C ATOM 202 CG PRO A 13 13.379 9.113 -3.022 1.00 0.00 C ATOM 203 CD PRO A 13 12.982 9.340 -1.601 1.00 0.00 C ATOM 0 HA PRO A 13 15.713 7.696 -1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.159 10.269 -3.226 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.275 8.647 -3.880 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.909 9.845 -3.679 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.060 8.128 -3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.809 10.396 -1.396 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.062 8.812 -1.352 1.00 0.00 H new ATOM 211 N ALA A 14 16.286 10.524 -0.380 1.00 0.00 N ATOM 212 CA ALA A 14 17.336 11.407 0.100 1.00 0.00 C ATOM 213 C ALA A 14 18.112 10.787 1.264 1.00 0.00 C ATOM 214 O ALA A 14 19.105 11.356 1.742 1.00 0.00 O ATOM 215 CB ALA A 14 16.747 12.739 0.510 1.00 0.00 C ATOM 0 H ALA A 14 15.361 10.724 0.000 1.00 0.00 H new ATOM 0 HA ALA A 14 18.040 11.561 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.542 13.393 0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.257 13.199 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.018 12.585 1.305 1.00 0.00 H new ATOM 221 N GLY A 15 17.659 9.634 1.724 1.00 0.00 N ATOM 222 CA GLY A 15 18.324 8.974 2.821 1.00 0.00 C ATOM 223 C GLY A 15 17.835 9.480 4.148 1.00 0.00 C ATOM 224 O GLY A 15 18.603 9.646 5.087 1.00 0.00 O ATOM 0 H GLY A 15 16.843 9.144 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 15 18.155 7.899 2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 15 19.400 9.133 2.744 1.00 0.00 H new ATOM 228 N LYS A 16 16.566 9.749 4.211 1.00 0.00 N ATOM 229 CA LYS A 16 15.922 10.219 5.414 1.00 0.00 C ATOM 230 C LYS A 16 14.578 9.537 5.503 1.00 0.00 C ATOM 231 O LYS A 16 14.115 8.974 4.508 1.00 0.00 O ATOM 232 CB LYS A 16 15.742 11.745 5.382 1.00 0.00 C ATOM 233 CG LYS A 16 14.946 12.192 4.203 1.00 0.00 C ATOM 234 CD LYS A 16 14.688 13.667 4.174 1.00 0.00 C ATOM 235 CE LYS A 16 13.942 14.024 2.908 1.00 0.00 C ATOM 236 NZ LYS A 16 12.662 13.286 2.795 1.00 0.00 N ATOM 0 H LYS A 16 15.933 9.648 3.418 1.00 0.00 H new ATOM 0 HA LYS A 16 16.535 9.983 6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.247 12.070 6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.721 12.225 5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.471 11.906 3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.992 11.665 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.106 13.962 5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.630 14.213 4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.746 15.096 2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.567 13.802 2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.141 13.620 1.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.855 12.269 2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.090 13.451 3.648 1.00 0.00 H new ATOM 250 N GLU A 17 13.949 9.598 6.624 1.00 0.00 N ATOM 251 CA GLU A 17 12.670 8.929 6.800 1.00 0.00 C ATOM 252 C GLU A 17 11.554 9.927 6.998 1.00 0.00 C ATOM 253 O GLU A 17 11.768 11.015 7.552 1.00 0.00 O ATOM 254 CB GLU A 17 12.712 7.961 7.974 1.00 0.00 C ATOM 255 CG GLU A 17 13.777 6.896 7.848 1.00 0.00 C ATOM 256 CD GLU A 17 13.777 5.954 9.006 1.00 0.00 C ATOM 257 OE1 GLU A 17 14.097 6.387 10.132 1.00 0.00 O ATOM 258 OE2 GLU A 17 13.481 4.748 8.818 1.00 0.00 O ATOM 0 H GLU A 17 14.285 10.101 7.445 1.00 0.00 H new ATOM 0 HA GLU A 17 12.474 8.364 5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.881 8.524 8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.739 7.479 8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.620 6.335 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.755 7.371 7.769 1.00 0.00 H new ATOM 265 N ALA A 18 10.395 9.569 6.525 1.00 0.00 N ATOM 266 CA ALA A 18 9.204 10.354 6.669 1.00 0.00 C ATOM 267 C ALA A 18 8.050 9.395 6.747 1.00 0.00 C ATOM 268 O ALA A 18 8.111 8.310 6.154 1.00 0.00 O ATOM 269 CB ALA A 18 9.035 11.303 5.485 1.00 0.00 C ATOM 0 H ALA A 18 10.249 8.698 6.014 1.00 0.00 H new ATOM 0 HA ALA A 18 9.256 10.969 7.567 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.125 11.889 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.893 11.973 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.966 10.726 4.563 1.00 0.00 H new ATOM 275 N GLU A 19 7.043 9.732 7.493 1.00 0.00 N ATOM 276 CA GLU A 19 5.910 8.869 7.607 1.00 0.00 C ATOM 277 C GLU A 19 4.886 9.252 6.575 1.00 0.00 C ATOM 278 O GLU A 19 4.207 10.280 6.683 1.00 0.00 O ATOM 279 CB GLU A 19 5.358 8.857 9.023 1.00 0.00 C ATOM 280 CG GLU A 19 4.282 7.824 9.240 1.00 0.00 C ATOM 281 CD GLU A 19 4.008 7.573 10.688 1.00 0.00 C ATOM 282 OE1 GLU A 19 3.265 8.343 11.311 1.00 0.00 O ATOM 283 OE2 GLU A 19 4.537 6.589 11.234 1.00 0.00 O ATOM 0 H GLU A 19 6.983 10.597 8.031 1.00 0.00 H new ATOM 0 HA GLU A 19 6.214 7.841 7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.174 8.672 9.721 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.956 9.843 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.364 8.153 8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.579 6.890 8.763 1.00 0.00 H new ATOM 290 N LEU A 20 4.799 8.434 5.573 1.00 0.00 N ATOM 291 CA LEU A 20 3.991 8.698 4.427 1.00 0.00 C ATOM 292 C LEU A 20 2.992 7.590 4.226 1.00 0.00 C ATOM 293 O LEU A 20 3.263 6.427 4.548 1.00 0.00 O ATOM 294 CB LEU A 20 4.891 8.794 3.188 1.00 0.00 C ATOM 295 CG LEU A 20 5.959 9.894 3.198 1.00 0.00 C ATOM 296 CD1 LEU A 20 6.877 9.741 1.999 1.00 0.00 C ATOM 297 CD2 LEU A 20 5.308 11.264 3.179 1.00 0.00 C ATOM 0 H LEU A 20 5.299 7.546 5.529 1.00 0.00 H new ATOM 0 HA LEU A 20 3.457 9.636 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.391 7.835 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.255 8.945 2.316 1.00 0.00 H new ATOM 0 HG LEU A 20 6.547 9.798 4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.632 10.527 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.366 8.768 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.293 9.818 1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.080 12.034 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.702 11.366 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.674 11.378 4.058 1.00 0.00 H new ATOM 309 N VAL A 21 1.838 7.943 3.754 1.00 0.00 N ATOM 310 CA VAL A 21 0.857 6.977 3.376 1.00 0.00 C ATOM 311 C VAL A 21 1.043 6.661 1.885 1.00 0.00 C ATOM 312 O VAL A 21 1.169 7.577 1.068 1.00 0.00 O ATOM 313 CB VAL A 21 -0.592 7.460 3.712 1.00 0.00 C ATOM 314 CG1 VAL A 21 -0.925 8.791 3.064 1.00 0.00 C ATOM 315 CG2 VAL A 21 -1.628 6.415 3.352 1.00 0.00 C ATOM 0 H VAL A 21 1.549 8.912 3.620 1.00 0.00 H new ATOM 0 HA VAL A 21 0.996 6.062 3.953 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.620 7.609 4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.942 9.080 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.228 9.551 3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.845 8.699 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.622 6.787 3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.576 6.204 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.433 5.501 3.913 1.00 0.00 H new ATOM 325 N PRO A 22 1.147 5.379 1.521 1.00 0.00 N ATOM 326 CA PRO A 22 1.386 4.974 0.139 1.00 0.00 C ATOM 327 C PRO A 22 0.258 5.370 -0.827 1.00 0.00 C ATOM 328 O PRO A 22 -0.937 5.389 -0.467 1.00 0.00 O ATOM 329 CB PRO A 22 1.544 3.452 0.214 1.00 0.00 C ATOM 330 CG PRO A 22 0.909 3.055 1.501 1.00 0.00 C ATOM 331 CD PRO A 22 1.067 4.220 2.429 1.00 0.00 C ATOM 0 HA PRO A 22 2.263 5.480 -0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.059 2.964 -0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.595 3.164 0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.144 2.814 1.356 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.386 2.165 1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.223 4.305 3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.965 4.127 3.040 1.00 0.00 H new ATOM 339 N GLU A 23 0.662 5.706 -2.030 1.00 0.00 N ATOM 340 CA GLU A 23 -0.215 6.101 -3.116 1.00 0.00 C ATOM 341 C GLU A 23 -0.812 4.872 -3.751 1.00 0.00 C ATOM 342 O GLU A 23 -1.990 4.817 -4.059 1.00 0.00 O ATOM 343 CB GLU A 23 0.612 6.839 -4.160 1.00 0.00 C ATOM 344 CG GLU A 23 1.246 8.110 -3.648 1.00 0.00 C ATOM 345 CD GLU A 23 0.229 9.164 -3.350 1.00 0.00 C ATOM 346 OE1 GLU A 23 -0.408 9.111 -2.278 1.00 0.00 O ATOM 347 OE2 GLU A 23 0.059 10.093 -4.171 1.00 0.00 O ATOM 0 H GLU A 23 1.648 5.713 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.012 6.741 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.395 6.175 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.025 7.079 -5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.817 7.892 -2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.952 8.487 -4.388 1.00 0.00 H new ATOM 354 N LYS A 24 0.021 3.895 -3.926 1.00 0.00 N ATOM 355 CA LYS A 24 -0.345 2.646 -4.520 1.00 0.00 C ATOM 356 C LYS A 24 0.459 1.574 -3.834 1.00 0.00 C ATOM 357 O LYS A 24 1.624 1.815 -3.489 1.00 0.00 O ATOM 358 CB LYS A 24 -0.007 2.660 -6.019 1.00 0.00 C ATOM 359 CG LYS A 24 -0.341 1.370 -6.755 1.00 0.00 C ATOM 360 CD LYS A 24 0.207 1.384 -8.164 1.00 0.00 C ATOM 361 CE LYS A 24 -0.072 0.080 -8.889 1.00 0.00 C ATOM 362 NZ LYS A 24 0.584 0.045 -10.211 1.00 0.00 N ATOM 0 H LYS A 24 1.002 3.945 -3.652 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.414 2.466 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.544 3.482 -6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.057 2.865 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.072 0.521 -6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.422 1.235 -6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.237 2.211 -8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.282 1.561 -8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.280 -0.756 -8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.148 -0.046 -9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.373 -0.859 -10.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.229 0.829 -10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.613 0.141 -10.091 1.00 0.00 H new ATOM 376 N VAL A 25 -0.141 0.438 -3.592 1.00 0.00 N ATOM 377 CA VAL A 25 0.549 -0.683 -2.991 1.00 0.00 C ATOM 378 C VAL A 25 0.400 -1.913 -3.865 1.00 0.00 C ATOM 379 O VAL A 25 -0.658 -2.134 -4.464 1.00 0.00 O ATOM 380 CB VAL A 25 0.045 -1.004 -1.550 1.00 0.00 C ATOM 381 CG1 VAL A 25 0.325 0.144 -0.604 1.00 0.00 C ATOM 382 CG2 VAL A 25 -1.441 -1.333 -1.540 1.00 0.00 C ATOM 0 H VAL A 25 -1.122 0.260 -3.805 1.00 0.00 H new ATOM 0 HA VAL A 25 1.599 -0.400 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 25 0.594 -1.881 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.037 -0.109 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.398 0.329 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.184 1.040 -0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.758 -1.552 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.005 -0.481 -1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.626 -2.202 -2.172 1.00 0.00 H new ATOM 392 N TRP A 26 1.449 -2.667 -3.987 1.00 0.00 N ATOM 393 CA TRP A 26 1.424 -3.891 -4.737 1.00 0.00 C ATOM 394 C TRP A 26 2.345 -4.887 -4.095 1.00 0.00 C ATOM 395 O TRP A 26 3.231 -4.511 -3.326 1.00 0.00 O ATOM 396 CB TRP A 26 1.771 -3.665 -6.231 1.00 0.00 C ATOM 397 CG TRP A 26 3.130 -3.063 -6.519 1.00 0.00 C ATOM 398 CD1 TRP A 26 4.238 -3.718 -6.951 1.00 0.00 C ATOM 399 CD2 TRP A 26 3.504 -1.682 -6.414 1.00 0.00 C ATOM 400 NE1 TRP A 26 5.267 -2.830 -7.138 1.00 0.00 N ATOM 401 CE2 TRP A 26 4.844 -1.578 -6.808 1.00 0.00 C ATOM 402 CE3 TRP A 26 2.835 -0.536 -6.028 1.00 0.00 C ATOM 403 CZ2 TRP A 26 5.520 -0.360 -6.828 1.00 0.00 C ATOM 404 CZ3 TRP A 26 3.496 0.662 -6.045 1.00 0.00 C ATOM 405 CH2 TRP A 26 4.824 0.747 -6.443 1.00 0.00 C ATOM 0 H TRP A 26 2.353 -2.452 -3.568 1.00 0.00 H new ATOM 0 HA TRP A 26 0.409 -4.288 -4.721 1.00 0.00 H new ATOM 0 HB2 TRP A 26 1.705 -4.623 -6.747 1.00 0.00 H new ATOM 0 HB3 TRP A 26 1.010 -3.016 -6.665 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.300 -4.782 -7.122 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.201 -3.069 -7.471 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.802 -0.585 -5.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 6.553 -0.296 -7.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.975 1.559 -5.743 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.315 1.709 -6.448 1.00 0.00 H new ATOM 416 N ALA A 27 2.124 -6.138 -4.361 1.00 0.00 N ATOM 417 CA ALA A 27 2.932 -7.172 -3.801 1.00 0.00 C ATOM 418 C ALA A 27 3.419 -8.093 -4.882 1.00 0.00 C ATOM 419 O ALA A 27 2.630 -8.618 -5.676 1.00 0.00 O ATOM 420 CB ALA A 27 2.163 -7.947 -2.744 1.00 0.00 C ATOM 0 H ALA A 27 1.378 -6.469 -4.973 1.00 0.00 H new ATOM 0 HA ALA A 27 3.795 -6.712 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.800 -8.730 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.858 -7.270 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.279 -8.398 -3.195 1.00 0.00 H new ATOM 426 N LEU A 28 4.706 -8.270 -4.932 1.00 0.00 N ATOM 427 CA LEU A 28 5.315 -9.178 -5.864 1.00 0.00 C ATOM 428 C LEU A 28 5.175 -10.577 -5.312 1.00 0.00 C ATOM 429 O LEU A 28 5.988 -11.030 -4.496 1.00 0.00 O ATOM 430 CB LEU A 28 6.805 -8.853 -6.127 1.00 0.00 C ATOM 431 CG LEU A 28 7.152 -7.574 -6.930 1.00 0.00 C ATOM 432 CD1 LEU A 28 6.648 -6.310 -6.256 1.00 0.00 C ATOM 433 CD2 LEU A 28 8.650 -7.489 -7.132 1.00 0.00 C ATOM 0 H LEU A 28 5.368 -7.787 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 28 4.808 -9.082 -6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.305 -8.784 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.242 -9.703 -6.652 1.00 0.00 H new ATOM 0 HG LEU A 28 6.648 -7.647 -7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.918 -5.443 -6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.564 -6.359 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.100 -6.219 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.890 -6.588 -7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.146 -7.452 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.993 -8.365 -7.682 1.00 0.00 H new ATOM 445 N ALA A 29 4.100 -11.204 -5.656 1.00 0.00 N ATOM 446 CA ALA A 29 3.822 -12.530 -5.211 1.00 0.00 C ATOM 447 C ALA A 29 3.722 -13.451 -6.396 1.00 0.00 C ATOM 448 O ALA A 29 2.869 -13.231 -7.271 1.00 0.00 O ATOM 449 CB ALA A 29 2.517 -12.560 -4.421 1.00 0.00 C ATOM 0 H ALA A 29 3.381 -10.806 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 29 4.632 -12.862 -4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.317 -13.578 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.601 -11.904 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.699 -12.219 -5.056 1.00 0.00 H new ATOM 455 N PRO A 30 4.626 -14.447 -6.505 1.00 0.00 N ATOM 456 CA PRO A 30 4.510 -15.481 -7.533 1.00 0.00 C ATOM 457 C PRO A 30 3.180 -16.192 -7.336 1.00 0.00 C ATOM 458 O PRO A 30 2.388 -16.342 -8.274 1.00 0.00 O ATOM 459 CB PRO A 30 5.684 -16.423 -7.228 1.00 0.00 C ATOM 460 CG PRO A 30 6.660 -15.581 -6.484 1.00 0.00 C ATOM 461 CD PRO A 30 5.839 -14.618 -5.680 1.00 0.00 C ATOM 0 HA PRO A 30 4.541 -15.110 -8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.362 -17.277 -6.632 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.121 -16.821 -8.144 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.291 -16.192 -5.838 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.323 -15.053 -7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.603 -15.015 -4.693 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.360 -13.673 -5.527 1.00 0.00 H new ATOM 469 N LYS A 31 2.949 -16.575 -6.078 1.00 0.00 N ATOM 470 CA LYS A 31 1.707 -17.138 -5.590 1.00 0.00 C ATOM 471 C LYS A 31 1.887 -17.482 -4.116 1.00 0.00 C ATOM 472 O LYS A 31 1.282 -16.855 -3.245 1.00 0.00 O ATOM 473 CB LYS A 31 1.268 -18.389 -6.371 1.00 0.00 C ATOM 474 CG LYS A 31 -0.098 -18.934 -5.957 1.00 0.00 C ATOM 475 CD LYS A 31 -1.231 -17.951 -6.267 1.00 0.00 C ATOM 476 CE LYS A 31 -2.602 -18.523 -5.898 1.00 0.00 C ATOM 477 NZ LYS A 31 -2.737 -18.790 -4.449 1.00 0.00 N ATOM 0 H LYS A 31 3.657 -16.494 -5.349 1.00 0.00 H new ATOM 0 HA LYS A 31 0.920 -16.397 -5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.245 -18.151 -7.434 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.016 -19.170 -6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.284 -19.875 -6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.091 -19.153 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.066 -17.023 -5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.215 -17.702 -7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.379 -17.824 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.766 -19.448 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.718 -19.063 -4.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.096 -19.563 -4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.492 -17.933 -3.914 1.00 0.00 H new ATOM 491 N GLY A 32 2.774 -18.421 -3.850 1.00 0.00 N ATOM 492 CA GLY A 32 2.976 -18.893 -2.505 1.00 0.00 C ATOM 493 C GLY A 32 4.266 -18.411 -1.885 1.00 0.00 C ATOM 494 O GLY A 32 5.347 -18.905 -2.216 1.00 0.00 O ATOM 0 H GLY A 32 3.364 -18.869 -4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.140 -18.568 -1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.967 -19.983 -2.506 1.00 0.00 H new ATOM 498 N ARG A 33 4.144 -17.441 -1.008 1.00 0.00 N ATOM 499 CA ARG A 33 5.243 -16.876 -0.239 1.00 0.00 C ATOM 500 C ARG A 33 4.589 -15.985 0.802 1.00 0.00 C ATOM 501 O ARG A 33 4.335 -16.415 1.911 1.00 0.00 O ATOM 502 CB ARG A 33 6.238 -16.090 -1.179 1.00 0.00 C ATOM 503 CG ARG A 33 7.575 -15.545 -0.570 1.00 0.00 C ATOM 504 CD ARG A 33 7.388 -14.342 0.366 1.00 0.00 C ATOM 505 NE ARG A 33 8.656 -13.633 0.669 1.00 0.00 N ATOM 506 CZ ARG A 33 8.963 -13.048 1.856 1.00 0.00 C ATOM 507 NH1 ARG A 33 8.243 -13.302 2.941 1.00 0.00 N ATOM 508 NH2 ARG A 33 10.027 -12.266 1.965 1.00 0.00 N ATOM 0 H ARG A 33 3.246 -17.004 -0.799 1.00 0.00 H new ATOM 0 HA ARG A 33 5.853 -17.641 0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.496 -16.747 -2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.696 -15.243 -1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.066 -16.348 -0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.243 -15.260 -1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.688 -13.642 -0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.938 -14.682 1.299 1.00 0.00 H new ATOM 0 HE ARG A 33 9.353 -13.581 -0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.450 -13.942 2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.482 -12.857 3.827 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.623 -12.099 1.154 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.250 -11.831 2.860 1.00 0.00 H new ATOM 522 N LYS A 34 4.199 -14.799 0.360 1.00 0.00 N ATOM 523 CA LYS A 34 3.524 -13.758 1.152 1.00 0.00 C ATOM 524 C LYS A 34 3.109 -12.688 0.191 1.00 0.00 C ATOM 525 O LYS A 34 1.931 -12.346 0.064 1.00 0.00 O ATOM 526 CB LYS A 34 4.445 -13.074 2.220 1.00 0.00 C ATOM 527 CG LYS A 34 4.821 -13.895 3.446 1.00 0.00 C ATOM 528 CD LYS A 34 3.604 -14.269 4.267 1.00 0.00 C ATOM 529 CE LYS A 34 3.997 -15.037 5.514 1.00 0.00 C ATOM 530 NZ LYS A 34 2.814 -15.466 6.288 1.00 0.00 N ATOM 0 H LYS A 34 4.348 -14.513 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 34 2.701 -14.233 1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.366 -12.767 1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.949 -12.166 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.340 -14.801 3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.516 -13.327 4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.061 -13.367 4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.927 -14.873 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.584 -15.911 5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.634 -14.413 6.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.123 -15.988 7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.267 -14.630 6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.218 -16.082 5.699 1.00 0.00 H new ATOM 544 N GLY A 35 4.100 -12.200 -0.515 1.00 0.00 N ATOM 545 CA GLY A 35 3.939 -11.111 -1.402 1.00 0.00 C ATOM 546 C GLY A 35 4.840 -10.004 -0.964 1.00 0.00 C ATOM 547 O GLY A 35 4.651 -9.450 0.126 1.00 0.00 O ATOM 0 H GLY A 35 5.051 -12.566 -0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.180 -11.414 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.902 -10.776 -1.406 1.00 0.00 H new ATOM 551 N VAL A 36 5.846 -9.710 -1.771 1.00 0.00 N ATOM 552 CA VAL A 36 6.800 -8.662 -1.448 1.00 0.00 C ATOM 553 C VAL A 36 6.126 -7.332 -1.692 1.00 0.00 C ATOM 554 O VAL A 36 5.905 -6.932 -2.834 1.00 0.00 O ATOM 555 CB VAL A 36 8.098 -8.773 -2.300 1.00 0.00 C ATOM 556 CG1 VAL A 36 9.096 -7.683 -1.934 1.00 0.00 C ATOM 557 CG2 VAL A 36 8.735 -10.143 -2.134 1.00 0.00 C ATOM 0 H VAL A 36 6.023 -10.184 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 36 7.101 -8.761 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 36 7.818 -8.640 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.991 -7.789 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.648 -6.705 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.364 -7.774 -0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.641 -10.199 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.988 -10.302 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.034 -10.912 -2.459 1.00 0.00 H new ATOM 567 N LYS A 37 5.774 -6.700 -0.622 1.00 0.00 N ATOM 568 CA LYS A 37 4.979 -5.501 -0.641 1.00 0.00 C ATOM 569 C LYS A 37 5.816 -4.288 -0.946 1.00 0.00 C ATOM 570 O LYS A 37 6.826 -4.045 -0.296 1.00 0.00 O ATOM 571 CB LYS A 37 4.279 -5.351 0.703 1.00 0.00 C ATOM 572 CG LYS A 37 3.367 -6.521 1.023 1.00 0.00 C ATOM 573 CD LYS A 37 2.774 -6.413 2.409 1.00 0.00 C ATOM 574 CE LYS A 37 1.844 -7.587 2.706 1.00 0.00 C ATOM 575 NZ LYS A 37 2.544 -8.892 2.668 1.00 0.00 N ATOM 0 H LYS A 37 6.034 -7.004 0.316 1.00 0.00 H new ATOM 0 HA LYS A 37 4.236 -5.582 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.028 -5.254 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.696 -4.430 0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.564 -6.567 0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.928 -7.452 0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.574 -6.384 3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.222 -5.477 2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.393 -7.449 3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.031 -7.594 1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.856 -9.659 2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.010 -9.009 1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.258 -8.925 3.423 1.00 0.00 H new ATOM 589 N ILE A 38 5.413 -3.555 -1.941 1.00 0.00 N ATOM 590 CA ILE A 38 6.072 -2.338 -2.338 1.00 0.00 C ATOM 591 C ILE A 38 5.010 -1.272 -2.515 1.00 0.00 C ATOM 592 O ILE A 38 3.905 -1.557 -3.000 1.00 0.00 O ATOM 593 CB ILE A 38 6.887 -2.522 -3.664 1.00 0.00 C ATOM 594 CG1 ILE A 38 7.916 -3.656 -3.490 1.00 0.00 C ATOM 595 CG2 ILE A 38 7.598 -1.218 -4.061 1.00 0.00 C ATOM 596 CD1 ILE A 38 8.800 -3.916 -4.688 1.00 0.00 C ATOM 0 H ILE A 38 4.601 -3.788 -2.513 1.00 0.00 H new ATOM 0 HA ILE A 38 6.787 -2.048 -1.568 1.00 0.00 H new ATOM 0 HB ILE A 38 6.192 -2.784 -4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.550 -3.421 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.382 -4.575 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.156 -1.374 -4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.858 -0.432 -4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.285 -0.922 -3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.487 -4.731 -4.463 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.182 -4.188 -5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.369 -3.016 -4.923 1.00 0.00 H new ATOM 608 N GLY A 39 5.304 -0.088 -2.078 1.00 0.00 N ATOM 609 CA GLY A 39 4.378 0.977 -2.192 1.00 0.00 C ATOM 610 C GLY A 39 5.005 2.164 -2.835 1.00 0.00 C ATOM 611 O GLY A 39 6.212 2.391 -2.696 1.00 0.00 O ATOM 0 H GLY A 39 6.189 0.160 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.517 0.654 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.007 1.248 -1.204 1.00 0.00 H new ATOM 615 N LEU A 40 4.222 2.888 -3.562 1.00 0.00 N ATOM 616 CA LEU A 40 4.666 4.086 -4.205 1.00 0.00 C ATOM 617 C LEU A 40 4.326 5.255 -3.304 1.00 0.00 C ATOM 618 O LEU A 40 3.211 5.343 -2.799 1.00 0.00 O ATOM 619 CB LEU A 40 3.997 4.227 -5.580 1.00 0.00 C ATOM 620 CG LEU A 40 4.383 5.442 -6.418 1.00 0.00 C ATOM 621 CD1 LEU A 40 5.849 5.395 -6.794 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.535 5.513 -7.660 1.00 0.00 C ATOM 0 H LEU A 40 3.241 2.664 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 40 5.743 4.057 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.221 3.331 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.917 4.248 -5.431 1.00 0.00 H new ATOM 0 HG LEU A 40 4.209 6.335 -5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.100 6.272 -7.391 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.457 5.386 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.047 4.493 -7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.822 6.385 -8.247 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.683 4.611 -8.254 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.485 5.595 -7.379 1.00 0.00 H new ATOM 634 N PHE A 41 5.278 6.092 -3.056 1.00 0.00 N ATOM 635 CA PHE A 41 5.115 7.226 -2.186 1.00 0.00 C ATOM 636 C PHE A 41 5.495 8.496 -2.912 1.00 0.00 C ATOM 637 O PHE A 41 5.963 8.456 -4.043 1.00 0.00 O ATOM 638 CB PHE A 41 6.039 7.094 -0.977 1.00 0.00 C ATOM 639 CG PHE A 41 5.797 5.919 -0.075 1.00 0.00 C ATOM 640 CD1 PHE A 41 4.906 6.010 0.973 1.00 0.00 C ATOM 641 CD2 PHE A 41 6.487 4.731 -0.259 1.00 0.00 C ATOM 642 CE1 PHE A 41 4.706 4.948 1.823 1.00 0.00 C ATOM 643 CE2 PHE A 41 6.284 3.660 0.585 1.00 0.00 C ATOM 644 CZ PHE A 41 5.392 3.772 1.630 1.00 0.00 C ATOM 0 H PHE A 41 6.212 6.012 -3.457 1.00 0.00 H new ATOM 0 HA PHE A 41 4.072 7.263 -1.870 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.067 7.042 -1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.955 8.004 -0.382 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.358 6.928 1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.192 4.643 -1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.009 5.038 2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.822 2.737 0.428 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.232 2.937 2.296 1.00 0.00 H new ATOM 654 N LYS A 42 5.318 9.604 -2.245 1.00 0.00 N ATOM 655 CA LYS A 42 5.726 10.893 -2.730 1.00 0.00 C ATOM 656 C LYS A 42 6.502 11.559 -1.619 1.00 0.00 C ATOM 657 O LYS A 42 5.953 11.805 -0.541 1.00 0.00 O ATOM 658 CB LYS A 42 4.512 11.756 -3.101 1.00 0.00 C ATOM 659 CG LYS A 42 4.858 13.179 -3.561 1.00 0.00 C ATOM 660 CD LYS A 42 3.598 14.009 -3.763 1.00 0.00 C ATOM 661 CE LYS A 42 3.898 15.469 -4.103 1.00 0.00 C ATOM 662 NZ LYS A 42 4.532 15.650 -5.429 1.00 0.00 N ATOM 0 H LYS A 42 4.875 9.635 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 42 6.332 10.779 -3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.956 11.257 -3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.849 11.818 -2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.499 13.658 -2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.423 13.137 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.003 13.569 -4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.993 13.969 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.969 16.039 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.552 15.885 -3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.418 16.637 -5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.545 15.423 -5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.079 15.017 -6.119 1.00 0.00 H new ATOM 676 N ASP A 43 7.763 11.804 -1.856 1.00 0.00 N ATOM 677 CA ASP A 43 8.616 12.456 -0.874 1.00 0.00 C ATOM 678 C ASP A 43 8.162 13.890 -0.697 1.00 0.00 C ATOM 679 O ASP A 43 8.042 14.611 -1.669 1.00 0.00 O ATOM 680 CB ASP A 43 10.084 12.416 -1.315 1.00 0.00 C ATOM 681 CG ASP A 43 10.994 13.175 -0.375 1.00 0.00 C ATOM 682 OD1 ASP A 43 11.265 12.702 0.722 1.00 0.00 O ATOM 683 OD2 ASP A 43 11.439 14.269 -0.730 1.00 0.00 O ATOM 0 H ASP A 43 8.235 11.562 -2.728 1.00 0.00 H new ATOM 0 HA ASP A 43 8.536 11.926 0.075 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.413 11.379 -1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.170 12.836 -2.317 1.00 0.00 H new ATOM 688 N PRO A 44 7.882 14.322 0.531 1.00 0.00 N ATOM 689 CA PRO A 44 7.351 15.662 0.784 1.00 0.00 C ATOM 690 C PRO A 44 8.382 16.771 0.582 1.00 0.00 C ATOM 691 O PRO A 44 8.023 17.924 0.335 1.00 0.00 O ATOM 692 CB PRO A 44 6.901 15.599 2.249 1.00 0.00 C ATOM 693 CG PRO A 44 7.758 14.545 2.863 1.00 0.00 C ATOM 694 CD PRO A 44 8.039 13.543 1.776 1.00 0.00 C ATOM 0 HA PRO A 44 6.551 15.910 0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.037 16.559 2.747 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.844 15.346 2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.684 14.972 3.247 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.251 14.073 3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.043 13.128 1.864 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.343 12.705 1.814 1.00 0.00 H new ATOM 702 N GLU A 45 9.644 16.412 0.629 1.00 0.00 N ATOM 703 CA GLU A 45 10.703 17.380 0.557 1.00 0.00 C ATOM 704 C GLU A 45 10.982 17.704 -0.923 1.00 0.00 C ATOM 705 O GLU A 45 10.792 18.831 -1.369 1.00 0.00 O ATOM 706 CB GLU A 45 11.952 16.807 1.270 1.00 0.00 C ATOM 707 CG GLU A 45 12.935 17.830 1.861 1.00 0.00 C ATOM 708 CD GLU A 45 13.554 18.760 0.856 1.00 0.00 C ATOM 709 OE1 GLU A 45 14.545 18.373 0.196 1.00 0.00 O ATOM 710 OE2 GLU A 45 13.073 19.898 0.714 1.00 0.00 O ATOM 0 H GLU A 45 9.960 15.446 0.718 1.00 0.00 H new ATOM 0 HA GLU A 45 10.424 18.307 1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.615 16.153 2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.495 16.184 0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.413 18.424 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.731 17.293 2.377 1.00 0.00 H new ATOM 717 N THR A 46 11.360 16.701 -1.678 1.00 0.00 N ATOM 718 CA THR A 46 11.705 16.881 -3.070 1.00 0.00 C ATOM 719 C THR A 46 10.453 16.897 -3.944 1.00 0.00 C ATOM 720 O THR A 46 10.401 17.594 -4.973 1.00 0.00 O ATOM 721 CB THR A 46 12.668 15.770 -3.554 1.00 0.00 C ATOM 722 OG1 THR A 46 12.106 14.482 -3.262 1.00 0.00 O ATOM 723 CG2 THR A 46 14.030 15.890 -2.888 1.00 0.00 C ATOM 0 H THR A 46 11.437 15.739 -1.347 1.00 0.00 H new ATOM 0 HA THR A 46 12.210 17.843 -3.160 1.00 0.00 H new ATOM 0 HB THR A 46 12.801 15.884 -4.630 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.222 14.283 -2.310 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.683 15.095 -3.249 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.469 16.858 -3.129 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.916 15.803 -1.808 1.00 0.00 H new ATOM 731 N GLY A 47 9.451 16.151 -3.530 1.00 0.00 N ATOM 732 CA GLY A 47 8.218 16.093 -4.242 1.00 0.00 C ATOM 733 C GLY A 47 8.123 14.904 -5.166 1.00 0.00 C ATOM 734 O GLY A 47 7.071 14.662 -5.766 1.00 0.00 O ATOM 0 H GLY A 47 9.480 15.573 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.395 16.058 -3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.097 17.007 -4.823 1.00 0.00 H new ATOM 738 N LYS A 48 9.187 14.139 -5.257 1.00 0.00 N ATOM 739 CA LYS A 48 9.240 13.039 -6.201 1.00 0.00 C ATOM 740 C LYS A 48 8.531 11.784 -5.702 1.00 0.00 C ATOM 741 O LYS A 48 8.401 11.552 -4.498 1.00 0.00 O ATOM 742 CB LYS A 48 10.681 12.710 -6.610 1.00 0.00 C ATOM 743 CG LYS A 48 11.608 12.307 -5.469 1.00 0.00 C ATOM 744 CD LYS A 48 12.965 11.824 -5.984 1.00 0.00 C ATOM 745 CE LYS A 48 13.657 12.863 -6.862 1.00 0.00 C ATOM 746 NZ LYS A 48 14.959 12.381 -7.370 1.00 0.00 N ATOM 0 H LYS A 48 10.028 14.255 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 48 8.698 13.384 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.658 11.901 -7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.106 13.580 -7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.754 13.156 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.140 11.517 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.607 11.582 -5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.828 10.904 -6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.011 13.115 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.808 13.778 -6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.395 13.117 -7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.586 12.164 -6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.814 11.522 -7.938 1.00 0.00 H new ATOM 760 N TYR A 49 8.082 10.999 -6.642 1.00 0.00 N ATOM 761 CA TYR A 49 7.436 9.739 -6.392 1.00 0.00 C ATOM 762 C TYR A 49 8.454 8.628 -6.377 1.00 0.00 C ATOM 763 O TYR A 49 9.229 8.461 -7.339 1.00 0.00 O ATOM 764 CB TYR A 49 6.363 9.457 -7.450 1.00 0.00 C ATOM 765 CG TYR A 49 4.997 10.017 -7.124 1.00 0.00 C ATOM 766 CD1 TYR A 49 4.742 11.380 -7.109 1.00 0.00 C ATOM 767 CD2 TYR A 49 3.956 9.157 -6.827 1.00 0.00 C ATOM 768 CE1 TYR A 49 3.479 11.861 -6.799 1.00 0.00 C ATOM 769 CE2 TYR A 49 2.704 9.624 -6.525 1.00 0.00 C ATOM 770 CZ TYR A 49 2.465 10.969 -6.507 1.00 0.00 C ATOM 771 OH TYR A 49 1.201 11.432 -6.185 1.00 0.00 O ATOM 0 H TYR A 49 8.158 11.225 -7.634 1.00 0.00 H new ATOM 0 HA TYR A 49 6.951 9.790 -5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.693 9.871 -8.403 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.277 8.379 -7.583 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.536 12.074 -7.341 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.134 8.092 -6.833 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.289 12.924 -6.786 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.907 8.930 -6.302 1.00 0.00 H new ATOM 0 HH TYR A 49 0.890 10.992 -5.367 1.00 0.00 H new ATOM 781 N PHE A 50 8.474 7.878 -5.312 1.00 0.00 N ATOM 782 CA PHE A 50 9.405 6.802 -5.195 1.00 0.00 C ATOM 783 C PHE A 50 8.689 5.562 -4.727 1.00 0.00 C ATOM 784 O PHE A 50 7.788 5.642 -3.893 1.00 0.00 O ATOM 785 CB PHE A 50 10.546 7.162 -4.216 1.00 0.00 C ATOM 786 CG PHE A 50 10.136 7.326 -2.758 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.555 8.502 -2.298 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.346 6.296 -1.852 1.00 0.00 C ATOM 789 CE1 PHE A 50 9.195 8.636 -0.968 1.00 0.00 C ATOM 790 CE2 PHE A 50 9.992 6.428 -0.529 1.00 0.00 C ATOM 791 CZ PHE A 50 9.417 7.594 -0.084 1.00 0.00 C ATOM 0 H PHE A 50 7.852 7.996 -4.512 1.00 0.00 H new ATOM 0 HA PHE A 50 9.847 6.616 -6.174 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.309 6.386 -4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 50 11.009 8.090 -4.551 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.383 9.318 -2.984 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.795 5.374 -2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.741 9.552 -0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.166 5.615 0.160 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.139 7.697 0.954 1.00 0.00 H new ATOM 801 N ARG A 51 9.039 4.436 -5.276 1.00 0.00 N ATOM 802 CA ARG A 51 8.518 3.207 -4.811 1.00 0.00 C ATOM 803 C ARG A 51 9.494 2.639 -3.800 1.00 0.00 C ATOM 804 O ARG A 51 10.716 2.739 -3.976 1.00 0.00 O ATOM 805 CB ARG A 51 8.265 2.227 -5.964 1.00 0.00 C ATOM 806 CG ARG A 51 9.497 1.833 -6.764 1.00 0.00 C ATOM 807 CD ARG A 51 9.176 0.801 -7.831 1.00 0.00 C ATOM 808 NE ARG A 51 10.382 0.410 -8.563 1.00 0.00 N ATOM 809 CZ ARG A 51 10.438 -0.464 -9.592 1.00 0.00 C ATOM 810 NH1 ARG A 51 9.350 -1.125 -9.995 1.00 0.00 N ATOM 811 NH2 ARG A 51 11.600 -0.690 -10.189 1.00 0.00 N ATOM 0 H ARG A 51 9.692 4.355 -6.055 1.00 0.00 H new ATOM 0 HA ARG A 51 7.550 3.372 -4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.811 1.323 -5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.537 2.671 -6.643 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.923 2.720 -7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.255 1.434 -6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.726 -0.078 -7.368 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.441 1.207 -8.525 1.00 0.00 H new ATOM 0 HE ARG A 51 11.261 0.837 -8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.458 -0.974 -9.524 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.411 -1.781 -10.774 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.440 -0.206 -9.870 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.654 -1.348 -10.967 1.00 0.00 H new ATOM 825 N HIS A 52 8.991 2.111 -2.744 1.00 0.00 N ATOM 826 CA HIS A 52 9.828 1.563 -1.721 1.00 0.00 C ATOM 827 C HIS A 52 9.144 0.352 -1.161 1.00 0.00 C ATOM 828 O HIS A 52 7.915 0.324 -1.089 1.00 0.00 O ATOM 829 CB HIS A 52 10.042 2.602 -0.611 1.00 0.00 C ATOM 830 CG HIS A 52 11.110 2.246 0.388 1.00 0.00 C ATOM 831 ND1 HIS A 52 10.880 1.475 1.502 1.00 0.00 N ATOM 832 CD2 HIS A 52 12.413 2.593 0.443 1.00 0.00 C ATOM 833 CE1 HIS A 52 11.981 1.374 2.201 1.00 0.00 C ATOM 834 NE2 HIS A 52 12.932 2.037 1.584 1.00 0.00 N ATOM 0 H HIS A 52 7.991 2.043 -2.557 1.00 0.00 H new ATOM 0 HA HIS A 52 10.800 1.291 -2.132 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.298 3.557 -1.071 1.00 0.00 H new ATOM 0 HB3 HIS A 52 9.101 2.745 -0.080 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.987 1.047 1.746 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.947 3.196 -0.277 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.090 0.835 3.131 1.00 0.00 H new ATOM 843 N LYS A 53 9.916 -0.646 -0.803 1.00 0.00 N ATOM 844 CA LYS A 53 9.381 -1.834 -0.200 1.00 0.00 C ATOM 845 C LYS A 53 8.718 -1.484 1.131 1.00 0.00 C ATOM 846 O LYS A 53 9.179 -0.587 1.861 1.00 0.00 O ATOM 847 CB LYS A 53 10.483 -2.876 0.017 1.00 0.00 C ATOM 848 CG LYS A 53 9.970 -4.190 0.564 1.00 0.00 C ATOM 849 CD LYS A 53 11.081 -5.156 0.875 1.00 0.00 C ATOM 850 CE LYS A 53 10.518 -6.449 1.433 1.00 0.00 C ATOM 851 NZ LYS A 53 9.770 -6.242 2.691 1.00 0.00 N ATOM 0 H LYS A 53 10.929 -0.654 -0.923 1.00 0.00 H new ATOM 0 HA LYS A 53 8.636 -2.260 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.991 -3.059 -0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.226 -2.470 0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.392 -4.003 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.292 -4.642 -0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.655 -5.362 -0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.768 -4.711 1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.860 -6.905 0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.333 -7.151 1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.684 -7.147 3.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.278 -5.558 3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.821 -5.875 2.474 1.00 0.00 H new ATOM 865 N LEU A 54 7.650 -2.140 1.407 1.00 0.00 N ATOM 866 CA LEU A 54 6.924 -1.959 2.619 1.00 0.00 C ATOM 867 C LEU A 54 7.272 -3.131 3.528 1.00 0.00 C ATOM 868 O LEU A 54 7.966 -4.081 3.093 1.00 0.00 O ATOM 869 CB LEU A 54 5.412 -1.998 2.332 1.00 0.00 C ATOM 870 CG LEU A 54 4.907 -1.158 1.171 1.00 0.00 C ATOM 871 CD1 LEU A 54 3.431 -1.405 0.939 1.00 0.00 C ATOM 872 CD2 LEU A 54 5.146 0.298 1.446 1.00 0.00 C ATOM 0 H LEU A 54 7.243 -2.836 0.783 1.00 0.00 H new ATOM 0 HA LEU A 54 7.177 -1.003 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.129 -3.034 2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.888 -1.680 3.233 1.00 0.00 H new ATOM 0 HG LEU A 54 5.453 -1.445 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.087 -0.795 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.270 -2.458 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.872 -1.140 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.781 0.891 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.617 0.588 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.214 0.473 1.576 1.00 0.00 H new ATOM 884 N PRO A 55 6.837 -3.102 4.786 1.00 0.00 N ATOM 885 CA PRO A 55 6.995 -4.224 5.677 1.00 0.00 C ATOM 886 C PRO A 55 6.123 -5.357 5.154 1.00 0.00 C ATOM 887 O PRO A 55 5.001 -5.123 4.700 1.00 0.00 O ATOM 888 CB PRO A 55 6.461 -3.685 7.022 1.00 0.00 C ATOM 889 CG PRO A 55 6.493 -2.206 6.859 1.00 0.00 C ATOM 890 CD PRO A 55 6.134 -1.996 5.439 1.00 0.00 C ATOM 0 HA PRO A 55 8.013 -4.603 5.767 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.451 -4.042 7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.084 -4.008 7.856 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.785 -1.715 7.527 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.479 -1.800 7.086 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.057 -2.044 5.278 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.468 -1.026 5.072 1.00 0.00 H new ATOM 898 N ASP A 56 6.604 -6.565 5.200 1.00 0.00 N ATOM 899 CA ASP A 56 5.855 -7.686 4.645 1.00 0.00 C ATOM 900 C ASP A 56 4.706 -8.055 5.557 1.00 0.00 C ATOM 901 O ASP A 56 3.826 -8.837 5.190 1.00 0.00 O ATOM 902 CB ASP A 56 6.740 -8.906 4.365 1.00 0.00 C ATOM 903 CG ASP A 56 7.890 -8.588 3.445 1.00 0.00 C ATOM 904 OD1 ASP A 56 7.670 -8.183 2.301 1.00 0.00 O ATOM 905 OD2 ASP A 56 9.067 -8.691 3.884 1.00 0.00 O ATOM 0 H ASP A 56 7.504 -6.812 5.610 1.00 0.00 H new ATOM 0 HA ASP A 56 5.457 -7.361 3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.129 -9.292 5.307 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.134 -9.696 3.923 1.00 0.00 H new ATOM 910 N ASP A 57 4.735 -7.484 6.739 1.00 0.00 N ATOM 911 CA ASP A 57 3.703 -7.636 7.762 1.00 0.00 C ATOM 912 C ASP A 57 2.703 -6.479 7.689 1.00 0.00 C ATOM 913 O ASP A 57 1.764 -6.399 8.485 1.00 0.00 O ATOM 914 CB ASP A 57 4.343 -7.643 9.158 1.00 0.00 C ATOM 915 CG ASP A 57 5.092 -6.351 9.462 1.00 0.00 C ATOM 916 OD1 ASP A 57 6.291 -6.262 9.125 1.00 0.00 O ATOM 917 OD2 ASP A 57 4.493 -5.404 10.025 1.00 0.00 O ATOM 0 H ASP A 57 5.501 -6.878 7.034 1.00 0.00 H new ATOM 0 HA ASP A 57 3.185 -8.579 7.584 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.568 -7.795 9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.031 -8.485 9.235 1.00 0.00 H new ATOM 922 N TYR A 58 2.918 -5.582 6.753 1.00 0.00 N ATOM 923 CA TYR A 58 2.058 -4.439 6.571 1.00 0.00 C ATOM 924 C TYR A 58 0.812 -4.854 5.778 1.00 0.00 C ATOM 925 O TYR A 58 0.914 -5.329 4.655 1.00 0.00 O ATOM 926 CB TYR A 58 2.844 -3.317 5.874 1.00 0.00 C ATOM 927 CG TYR A 58 2.061 -2.091 5.489 1.00 0.00 C ATOM 928 CD1 TYR A 58 1.606 -1.191 6.436 1.00 0.00 C ATOM 929 CD2 TYR A 58 1.780 -1.842 4.166 1.00 0.00 C ATOM 930 CE1 TYR A 58 0.882 -0.069 6.056 1.00 0.00 C ATOM 931 CE2 TYR A 58 1.063 -0.736 3.776 1.00 0.00 C ATOM 932 CZ TYR A 58 0.615 0.145 4.711 1.00 0.00 C ATOM 933 OH TYR A 58 -0.113 1.243 4.307 1.00 0.00 O ATOM 0 H TYR A 58 3.697 -5.627 6.096 1.00 0.00 H new ATOM 0 HA TYR A 58 1.720 -4.058 7.535 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.657 -3.010 6.532 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.300 -3.728 4.973 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.816 -1.363 7.481 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.132 -2.533 3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.530 0.630 6.800 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.856 -0.567 2.730 1.00 0.00 H new ATOM 0 HH TYR A 58 0.287 2.056 4.681 1.00 0.00 H new ATOM 943 N PRO A 59 -0.367 -4.700 6.366 1.00 0.00 N ATOM 944 CA PRO A 59 -1.605 -5.131 5.751 1.00 0.00 C ATOM 945 C PRO A 59 -2.067 -4.186 4.650 1.00 0.00 C ATOM 946 O PRO A 59 -2.550 -3.067 4.917 1.00 0.00 O ATOM 947 CB PRO A 59 -2.591 -5.151 6.913 1.00 0.00 C ATOM 948 CG PRO A 59 -2.067 -4.151 7.885 1.00 0.00 C ATOM 949 CD PRO A 59 -0.583 -4.072 7.674 1.00 0.00 C ATOM 0 HA PRO A 59 -1.503 -6.097 5.256 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.596 -4.889 6.582 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.651 -6.143 7.362 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.532 -3.178 7.726 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.296 -4.450 8.908 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.235 -3.039 7.681 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.041 -4.596 8.461 1.00 0.00 H new ATOM 957 N ILE A 60 -1.886 -4.614 3.437 1.00 0.00 N ATOM 958 CA ILE A 60 -2.261 -3.842 2.300 1.00 0.00 C ATOM 959 C ILE A 60 -3.659 -4.218 1.837 1.00 0.00 C ATOM 960 O ILE A 60 -4.620 -3.570 2.282 1.00 0.00 O ATOM 961 CB ILE A 60 -1.208 -3.922 1.154 1.00 0.00 C ATOM 962 CG1 ILE A 60 -0.865 -5.371 0.768 1.00 0.00 C ATOM 963 CG2 ILE A 60 0.046 -3.201 1.586 1.00 0.00 C ATOM 964 CD1 ILE A 60 0.061 -5.479 -0.428 1.00 0.00 C ATOM 965 OXT ILE A 60 -3.825 -5.193 1.074 1.00 0.00 O ATOM 0 H ILE A 60 -1.470 -5.517 3.211 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.285 -2.795 2.601 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.640 -3.449 0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.401 -5.865 1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.788 -5.909 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.788 -3.252 0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.188 -2.158 1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.445 -3.672 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.259 -6.529 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.409 -5.015 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.000 -4.971 -0.208 1.00 0.00 H new TER 977 ILE A 60