USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 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 GLU N :NH3+ -162:sc= -0.0995 (180deg=-0.501) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -122:sc= -1.23 (180deg=-3.23!) USER MOD Single : A 6 HIS : no HD1:sc= 0.0341 K(o=0.034,f=-1.4) USER MOD Single : A 10 THR OG1 : rot 87:sc= 0.0116 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.085 K(o=-0.085,f=-0.66) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.47) USER MOD Single : A 37 SER OG : rot -140:sc= 0 USER MOD Single : A 40 CYS SG : rot -92:sc= -1.37! USER MOD Single : A 42 CYS SG : rot 180:sc= 0.0579 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 47 GLN : amide:sc= -0.254 K(o=-0.25,f=-0.94) USER MOD Single : A 48 GLN : amide:sc= -1.32 K(o=-1.3,f=-9!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -134:sc= -0.234! USER MOD Single : A 62 SER OG : rot -58:sc= 1.17 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00986 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.336 -40.632 3.223 1.00 0.00 N ATOM 2 CA GLU A 1 0.112 -40.232 3.973 1.00 0.00 C ATOM 3 C GLU A 1 -0.752 -39.334 3.093 1.00 0.00 C ATOM 4 O GLU A 1 -1.779 -39.767 2.571 1.00 0.00 O ATOM 5 CB GLU A 1 0.518 -39.481 5.244 1.00 0.00 C ATOM 6 CG GLU A 1 1.318 -40.414 6.154 1.00 0.00 C ATOM 7 CD GLU A 1 1.667 -39.702 7.456 1.00 0.00 C ATOM 8 OE1 GLU A 1 1.431 -38.507 7.536 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.167 -40.360 8.353 1.00 0.00 O ATOM 0 H1 GLU A 1 1.766 -41.463 3.678 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.081 -40.867 2.243 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.017 -39.846 3.225 1.00 0.00 H new ATOM 0 HA GLU A 1 -0.458 -41.120 4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.115 -38.606 4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -0.369 -39.120 5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.739 -41.313 6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.230 -40.734 5.649 1.00 0.00 H new ATOM 18 N SER A 2 -0.325 -38.084 2.933 1.00 0.00 N ATOM 19 CA SER A 2 -1.064 -37.128 2.114 1.00 0.00 C ATOM 20 C SER A 2 -0.120 -36.373 1.183 1.00 0.00 C ATOM 21 O SER A 2 -0.042 -35.145 1.226 1.00 0.00 O ATOM 22 CB SER A 2 -1.797 -36.132 3.011 1.00 0.00 C ATOM 23 OG SER A 2 -2.314 -36.813 4.147 1.00 0.00 O ATOM 0 H SER A 2 0.524 -37.711 3.357 1.00 0.00 H new ATOM 0 HA SER A 2 -1.786 -37.679 1.512 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.117 -35.340 3.326 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.607 -35.656 2.459 1.00 0.00 H new ATOM 0 HG SER A 2 -2.783 -36.176 4.725 1.00 0.00 H new ATOM 29 N PRO A 3 0.592 -37.082 0.347 1.00 0.00 N ATOM 30 CA PRO A 3 1.551 -36.466 -0.616 1.00 0.00 C ATOM 31 C PRO A 3 0.836 -35.722 -1.741 1.00 0.00 C ATOM 32 O PRO A 3 1.451 -34.954 -2.480 1.00 0.00 O ATOM 33 CB PRO A 3 2.339 -37.659 -1.161 1.00 0.00 C ATOM 34 CG PRO A 3 1.448 -38.843 -0.981 1.00 0.00 C ATOM 35 CD PRO A 3 0.562 -38.548 0.230 1.00 0.00 C ATOM 0 HA PRO A 3 2.184 -35.717 -0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.592 -37.515 -2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.277 -37.789 -0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.842 -39.010 -1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.035 -39.747 -0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.453 -38.915 0.080 1.00 0.00 H new ATOM 0 HD3 PRO A 3 0.945 -39.028 1.131 1.00 0.00 H new ATOM 43 N LYS A 4 -0.466 -35.959 -1.866 1.00 0.00 N ATOM 44 CA LYS A 4 -1.256 -35.310 -2.906 1.00 0.00 C ATOM 45 C LYS A 4 -1.520 -33.849 -2.552 1.00 0.00 C ATOM 46 O LYS A 4 -2.050 -33.091 -3.365 1.00 0.00 O ATOM 47 CB LYS A 4 -2.588 -36.044 -3.081 1.00 0.00 C ATOM 48 CG LYS A 4 -2.328 -37.454 -3.613 1.00 0.00 C ATOM 49 CD LYS A 4 -3.632 -38.255 -3.601 1.00 0.00 C ATOM 50 CE LYS A 4 -4.672 -37.557 -4.481 1.00 0.00 C ATOM 51 NZ LYS A 4 -5.431 -36.568 -3.664 1.00 0.00 N ATOM 0 H LYS A 4 -0.994 -36.591 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.693 -35.347 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.115 -36.095 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.229 -35.496 -3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.930 -37.404 -4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.577 -37.952 -3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.453 -39.266 -3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.006 -38.345 -2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.181 -37.055 -5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.354 -38.292 -4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.445 -36.795 -3.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.101 -36.606 -2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.277 -35.612 -4.044 1.00 0.00 H new ATOM 65 N GLU A 5 -1.146 -33.460 -1.337 1.00 0.00 N ATOM 66 CA GLU A 5 -1.348 -32.086 -0.890 1.00 0.00 C ATOM 67 C GLU A 5 -0.428 -31.134 -1.649 1.00 0.00 C ATOM 68 O GLU A 5 0.662 -31.518 -2.075 1.00 0.00 O ATOM 69 CB GLU A 5 -1.071 -31.978 0.610 1.00 0.00 C ATOM 70 CG GLU A 5 -2.053 -32.863 1.381 1.00 0.00 C ATOM 71 CD GLU A 5 -3.471 -32.321 1.237 1.00 0.00 C ATOM 72 OE1 GLU A 5 -3.608 -31.174 0.845 1.00 0.00 O ATOM 73 OE2 GLU A 5 -4.399 -33.062 1.518 1.00 0.00 O ATOM 0 H GLU A 5 -0.705 -34.071 -0.649 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.383 -31.808 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.047 -32.283 0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.169 -30.942 0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.006 -33.885 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.774 -32.898 2.434 1.00 0.00 H new ATOM 80 N HIS A 6 -0.873 -29.892 -1.815 1.00 0.00 N ATOM 81 CA HIS A 6 -0.079 -28.896 -2.524 1.00 0.00 C ATOM 82 C HIS A 6 0.844 -28.160 -1.557 1.00 0.00 C ATOM 83 O HIS A 6 0.553 -28.051 -0.365 1.00 0.00 O ATOM 84 CB HIS A 6 -1.001 -27.894 -3.224 1.00 0.00 C ATOM 85 CG HIS A 6 -2.282 -28.579 -3.612 1.00 0.00 C ATOM 86 ND1 HIS A 6 -3.419 -28.520 -2.822 1.00 0.00 N ATOM 87 CD2 HIS A 6 -2.622 -29.343 -4.702 1.00 0.00 C ATOM 88 CE1 HIS A 6 -4.381 -29.228 -3.441 1.00 0.00 C ATOM 89 NE2 HIS A 6 -3.947 -29.752 -4.592 1.00 0.00 N ATOM 0 H HIS A 6 -1.772 -29.554 -1.471 1.00 0.00 H new ATOM 0 HA HIS A 6 0.531 -29.406 -3.270 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -1.211 -27.053 -2.563 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -0.510 -27.488 -4.109 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -1.961 -29.589 -5.520 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.381 -29.357 -3.055 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -4.474 -30.328 -5.248 1.00 0.00 H new ATOM 98 N ASP A 7 1.963 -27.666 -2.077 1.00 0.00 N ATOM 99 CA ASP A 7 2.932 -26.951 -1.254 1.00 0.00 C ATOM 100 C ASP A 7 2.300 -25.758 -0.522 1.00 0.00 C ATOM 101 O ASP A 7 2.477 -25.621 0.689 1.00 0.00 O ATOM 102 CB ASP A 7 4.105 -26.474 -2.118 1.00 0.00 C ATOM 103 CG ASP A 7 4.432 -25.017 -1.806 1.00 0.00 C ATOM 104 OD1 ASP A 7 4.707 -24.725 -0.653 1.00 0.00 O ATOM 105 OD2 ASP A 7 4.410 -24.215 -2.724 1.00 0.00 O ATOM 0 H ASP A 7 2.221 -27.747 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 7 3.293 -27.646 -0.496 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.979 -27.098 -1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.855 -26.580 -3.174 1.00 0.00 H new ATOM 110 N PRO A 8 1.590 -24.887 -1.206 1.00 0.00 N ATOM 111 CA PRO A 8 0.965 -23.697 -0.557 1.00 0.00 C ATOM 112 C PRO A 8 -0.289 -24.044 0.244 1.00 0.00 C ATOM 113 O PRO A 8 -0.812 -23.208 0.980 1.00 0.00 O ATOM 114 CB PRO A 8 0.629 -22.775 -1.727 1.00 0.00 C ATOM 115 CG PRO A 8 0.471 -23.665 -2.914 1.00 0.00 C ATOM 116 CD PRO A 8 1.298 -24.928 -2.653 1.00 0.00 C ATOM 0 HA PRO A 8 1.636 -23.243 0.173 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.286 -22.215 -1.533 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.421 -22.044 -1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.578 -23.918 -3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.813 -23.162 -3.819 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.744 -25.828 -2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.215 -24.931 -3.243 1.00 0.00 H new ATOM 124 N PHE A 9 -0.766 -25.276 0.102 1.00 0.00 N ATOM 125 CA PHE A 9 -1.958 -25.701 0.827 1.00 0.00 C ATOM 126 C PHE A 9 -1.770 -25.513 2.329 1.00 0.00 C ATOM 127 O PHE A 9 -2.733 -25.299 3.065 1.00 0.00 O ATOM 128 CB PHE A 9 -2.258 -27.171 0.536 1.00 0.00 C ATOM 129 CG PHE A 9 -3.535 -27.566 1.236 1.00 0.00 C ATOM 130 CD1 PHE A 9 -4.771 -27.326 0.624 1.00 0.00 C ATOM 131 CD2 PHE A 9 -3.484 -28.168 2.499 1.00 0.00 C ATOM 132 CE1 PHE A 9 -5.955 -27.690 1.274 1.00 0.00 C ATOM 133 CE2 PHE A 9 -4.669 -28.531 3.150 1.00 0.00 C ATOM 134 CZ PHE A 9 -5.905 -28.292 2.537 1.00 0.00 C ATOM 0 H PHE A 9 -0.353 -25.989 -0.499 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.794 -25.086 0.493 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.354 -27.329 -0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.434 -27.797 0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.810 -26.860 -0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.530 -28.352 2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.908 -27.506 0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.630 -28.995 4.124 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.820 -28.572 3.038 1.00 0.00 H new ATOM 144 N THR A 10 -0.522 -25.603 2.776 1.00 0.00 N ATOM 145 CA THR A 10 -0.213 -25.449 4.192 1.00 0.00 C ATOM 146 C THR A 10 -0.826 -24.169 4.755 1.00 0.00 C ATOM 147 O THR A 10 -1.251 -24.137 5.910 1.00 0.00 O ATOM 148 CB THR A 10 1.305 -25.420 4.392 1.00 0.00 C ATOM 149 OG1 THR A 10 1.880 -26.577 3.800 1.00 0.00 O ATOM 150 CG2 THR A 10 1.624 -25.397 5.887 1.00 0.00 C ATOM 0 H THR A 10 0.288 -25.781 2.182 1.00 0.00 H new ATOM 0 HA THR A 10 -0.640 -26.298 4.726 1.00 0.00 H new ATOM 0 HB THR A 10 1.718 -24.527 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.065 -26.403 2.853 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.705 -25.376 6.028 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.182 -24.510 6.340 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.213 -26.289 6.360 1.00 0.00 H new ATOM 158 N TYR A 11 -0.863 -23.119 3.933 1.00 0.00 N ATOM 159 CA TYR A 11 -1.419 -21.833 4.359 1.00 0.00 C ATOM 160 C TYR A 11 -2.657 -21.476 3.541 1.00 0.00 C ATOM 161 O TYR A 11 -2.659 -21.591 2.316 1.00 0.00 O ATOM 162 CB TYR A 11 -0.368 -20.734 4.192 1.00 0.00 C ATOM 163 CG TYR A 11 0.833 -21.053 5.049 1.00 0.00 C ATOM 164 CD1 TYR A 11 0.828 -20.727 6.412 1.00 0.00 C ATOM 165 CD2 TYR A 11 1.952 -21.675 4.483 1.00 0.00 C ATOM 166 CE1 TYR A 11 1.942 -21.024 7.206 1.00 0.00 C ATOM 167 CE2 TYR A 11 3.066 -21.971 5.277 1.00 0.00 C ATOM 168 CZ TYR A 11 3.060 -21.646 6.640 1.00 0.00 C ATOM 169 OH TYR A 11 4.158 -21.940 7.423 1.00 0.00 O ATOM 0 H TYR A 11 -0.517 -23.133 2.974 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.705 -21.916 5.407 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.071 -20.655 3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.786 -19.769 4.478 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.035 -20.247 6.850 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.956 -21.927 3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.938 -20.773 8.256 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.930 -22.450 4.839 1.00 0.00 H new ATOM 0 HH TYR A 11 4.845 -22.371 6.874 1.00 0.00 H new ATOM 179 N ASP A 12 -3.704 -21.031 4.232 1.00 0.00 N ATOM 180 CA ASP A 12 -4.945 -20.646 3.567 1.00 0.00 C ATOM 181 C ASP A 12 -5.074 -19.125 3.531 1.00 0.00 C ATOM 182 O ASP A 12 -6.079 -18.585 3.068 1.00 0.00 O ATOM 183 CB ASP A 12 -6.142 -21.249 4.307 1.00 0.00 C ATOM 184 CG ASP A 12 -6.121 -22.769 4.184 1.00 0.00 C ATOM 185 OD1 ASP A 12 -5.369 -23.267 3.362 1.00 0.00 O ATOM 186 OD2 ASP A 12 -6.858 -23.413 4.913 1.00 0.00 O ATOM 0 H ASP A 12 -3.718 -20.929 5.247 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.927 -21.024 2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.113 -20.961 5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.071 -20.856 3.894 1.00 0.00 H new ATOM 191 N TYR A 13 -4.044 -18.444 4.026 1.00 0.00 N ATOM 192 CA TYR A 13 -4.037 -16.984 4.054 1.00 0.00 C ATOM 193 C TYR A 13 -3.605 -16.425 2.699 1.00 0.00 C ATOM 194 O TYR A 13 -3.010 -15.350 2.621 1.00 0.00 O ATOM 195 CB TYR A 13 -3.075 -16.491 5.139 1.00 0.00 C ATOM 196 CG TYR A 13 -3.557 -16.953 6.497 1.00 0.00 C ATOM 197 CD1 TYR A 13 -3.450 -18.301 6.858 1.00 0.00 C ATOM 198 CD2 TYR A 13 -4.110 -16.032 7.395 1.00 0.00 C ATOM 199 CE1 TYR A 13 -3.896 -18.728 8.116 1.00 0.00 C ATOM 200 CE2 TYR A 13 -4.557 -16.459 8.652 1.00 0.00 C ATOM 201 CZ TYR A 13 -4.451 -17.806 9.012 1.00 0.00 C ATOM 202 OH TYR A 13 -4.888 -18.228 10.252 1.00 0.00 O ATOM 0 H TYR A 13 -3.206 -18.878 4.412 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.046 -16.636 4.274 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.072 -16.873 4.950 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.012 -15.403 5.116 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.023 -19.013 6.167 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.192 -14.991 7.118 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.812 -19.768 8.394 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.984 -15.747 9.343 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.245 -17.464 10.751 1.00 0.00 H new ATOM 212 N GLN A 14 -3.899 -17.165 1.638 1.00 0.00 N ATOM 213 CA GLN A 14 -3.525 -16.743 0.291 1.00 0.00 C ATOM 214 C GLN A 14 -3.991 -15.317 0.002 1.00 0.00 C ATOM 215 O GLN A 14 -3.209 -14.483 -0.455 1.00 0.00 O ATOM 216 CB GLN A 14 -4.143 -17.692 -0.737 1.00 0.00 C ATOM 217 CG GLN A 14 -3.613 -19.109 -0.509 1.00 0.00 C ATOM 218 CD GLN A 14 -2.145 -19.187 -0.910 1.00 0.00 C ATOM 219 OE1 GLN A 14 -1.758 -18.664 -1.956 1.00 0.00 O ATOM 220 NE2 GLN A 14 -1.299 -19.812 -0.138 1.00 0.00 N ATOM 0 H GLN A 14 -4.393 -18.056 1.681 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.438 -16.770 0.222 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.230 -17.681 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.900 -17.360 -1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.727 -19.385 0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.196 -19.822 -1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.622 -20.244 0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.315 -19.868 -0.400 1.00 0.00 H new ATOM 229 N SER A 15 -5.265 -15.044 0.256 1.00 0.00 N ATOM 230 CA SER A 15 -5.812 -13.715 0.002 1.00 0.00 C ATOM 231 C SER A 15 -5.535 -12.764 1.164 1.00 0.00 C ATOM 232 O SER A 15 -5.404 -11.556 0.968 1.00 0.00 O ATOM 233 CB SER A 15 -7.320 -13.809 -0.233 1.00 0.00 C ATOM 234 OG SER A 15 -7.966 -14.170 0.983 1.00 0.00 O ATOM 0 H SER A 15 -5.933 -15.716 0.633 1.00 0.00 H new ATOM 0 HA SER A 15 -5.323 -13.318 -0.887 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.704 -12.854 -0.592 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.534 -14.549 -1.005 1.00 0.00 H new ATOM 0 HG SER A 15 -8.933 -14.229 0.835 1.00 0.00 H new ATOM 240 N LEU A 16 -5.460 -13.308 2.372 1.00 0.00 N ATOM 241 CA LEU A 16 -5.214 -12.484 3.551 1.00 0.00 C ATOM 242 C LEU A 16 -3.727 -12.181 3.715 1.00 0.00 C ATOM 243 O LEU A 16 -3.342 -11.369 4.556 1.00 0.00 O ATOM 244 CB LEU A 16 -5.728 -13.196 4.804 1.00 0.00 C ATOM 245 CG LEU A 16 -6.153 -12.155 5.841 1.00 0.00 C ATOM 246 CD1 LEU A 16 -7.607 -11.751 5.591 1.00 0.00 C ATOM 247 CD2 LEU A 16 -6.030 -12.755 7.243 1.00 0.00 C ATOM 0 H LEU A 16 -5.564 -14.305 2.562 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.746 -11.542 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.571 -13.838 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.950 -13.839 5.216 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.511 -11.278 5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.911 -11.009 6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.700 -11.327 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.248 -12.629 5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.332 -12.015 7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.674 -13.631 7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.996 -13.048 7.424 1.00 0.00 H new ATOM 259 N GLN A 17 -2.896 -12.839 2.919 1.00 0.00 N ATOM 260 CA GLN A 17 -1.453 -12.630 2.999 1.00 0.00 C ATOM 261 C GLN A 17 -1.065 -11.236 2.507 1.00 0.00 C ATOM 262 O GLN A 17 -0.314 -10.522 3.173 1.00 0.00 O ATOM 263 CB GLN A 17 -0.729 -13.690 2.164 1.00 0.00 C ATOM 264 CG GLN A 17 -0.232 -14.820 3.074 1.00 0.00 C ATOM 265 CD GLN A 17 1.035 -14.382 3.800 1.00 0.00 C ATOM 266 OE1 GLN A 17 1.959 -13.859 3.177 1.00 0.00 O ATOM 267 NE2 GLN A 17 1.133 -14.566 5.088 1.00 0.00 N ATOM 0 H GLN A 17 -3.190 -13.517 2.216 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.156 -12.717 4.044 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -1.402 -14.091 1.406 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.112 -13.239 1.637 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.004 -15.082 3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.032 -15.714 2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.365 -15.000 5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.977 -14.276 5.582 1.00 0.00 H new ATOM 276 N ILE A 18 -1.567 -10.858 1.336 1.00 0.00 N ATOM 277 CA ILE A 18 -1.248 -9.550 0.762 1.00 0.00 C ATOM 278 C ILE A 18 -2.340 -8.526 1.083 1.00 0.00 C ATOM 279 O ILE A 18 -2.186 -7.334 0.819 1.00 0.00 O ATOM 280 CB ILE A 18 -1.097 -9.684 -0.761 1.00 0.00 C ATOM 281 CG1 ILE A 18 -0.252 -10.922 -1.086 1.00 0.00 C ATOM 282 CG2 ILE A 18 -0.418 -8.440 -1.348 1.00 0.00 C ATOM 283 CD1 ILE A 18 1.049 -10.898 -0.278 1.00 0.00 C ATOM 0 H ILE A 18 -2.191 -11.431 0.768 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.313 -9.200 1.199 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.089 -9.785 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.815 -11.827 -0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.027 -10.949 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.320 -8.554 -2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.021 -7.559 -1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.571 -8.322 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.642 -11.781 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.617 -10.002 -0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.816 -10.894 0.787 1.00 0.00 H new ATOM 295 N GLY A 19 -3.445 -9.000 1.644 1.00 0.00 N ATOM 296 CA GLY A 19 -4.559 -8.119 1.981 1.00 0.00 C ATOM 297 C GLY A 19 -4.120 -6.962 2.878 1.00 0.00 C ATOM 298 O GLY A 19 -3.843 -5.862 2.400 1.00 0.00 O ATOM 0 H GLY A 19 -3.595 -9.982 1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.998 -7.722 1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.337 -8.694 2.484 1.00 0.00 H new ATOM 302 N GLY A 20 -4.080 -7.221 4.180 1.00 0.00 N ATOM 303 CA GLY A 20 -3.700 -6.202 5.156 1.00 0.00 C ATOM 304 C GLY A 20 -2.527 -5.350 4.676 1.00 0.00 C ATOM 305 O GLY A 20 -2.427 -4.172 5.022 1.00 0.00 O ATOM 0 H GLY A 20 -4.306 -8.129 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.556 -5.558 5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.435 -6.684 6.097 1.00 0.00 H new ATOM 309 N LEU A 21 -1.629 -5.947 3.904 1.00 0.00 N ATOM 310 CA LEU A 21 -0.458 -5.222 3.417 1.00 0.00 C ATOM 311 C LEU A 21 -0.830 -4.148 2.396 1.00 0.00 C ATOM 312 O LEU A 21 -0.407 -2.996 2.514 1.00 0.00 O ATOM 313 CB LEU A 21 0.529 -6.204 2.781 1.00 0.00 C ATOM 314 CG LEU A 21 1.522 -6.688 3.835 1.00 0.00 C ATOM 315 CD1 LEU A 21 0.760 -7.334 4.995 1.00 0.00 C ATOM 316 CD2 LEU A 21 2.468 -7.715 3.207 1.00 0.00 C ATOM 0 H LEU A 21 -1.685 -6.920 3.603 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.001 -4.726 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.009 -7.052 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.060 -5.721 1.961 1.00 0.00 H new ATOM 0 HG LEU A 21 2.100 -5.843 4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.468 -7.680 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.086 -6.602 5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.182 -8.181 4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.178 -8.062 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.891 -8.561 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.010 -7.254 2.381 1.00 0.00 H new ATOM 328 N VAL A 22 -1.595 -4.530 1.380 1.00 0.00 N ATOM 329 CA VAL A 22 -1.975 -3.583 0.334 1.00 0.00 C ATOM 330 C VAL A 22 -2.823 -2.433 0.874 1.00 0.00 C ATOM 331 O VAL A 22 -2.533 -1.269 0.603 1.00 0.00 O ATOM 332 CB VAL A 22 -2.751 -4.309 -0.766 1.00 0.00 C ATOM 333 CG1 VAL A 22 -3.167 -3.306 -1.843 1.00 0.00 C ATOM 334 CG2 VAL A 22 -1.864 -5.385 -1.394 1.00 0.00 C ATOM 0 H VAL A 22 -1.961 -5.474 1.257 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.055 -3.159 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.638 -4.774 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.720 -3.823 -2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.799 -2.537 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.278 -2.842 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.418 -5.902 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.977 -4.920 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.564 -6.101 -0.629 1.00 0.00 H new ATOM 344 N ILE A 23 -3.873 -2.755 1.629 1.00 0.00 N ATOM 345 CA ILE A 23 -4.749 -1.715 2.169 1.00 0.00 C ATOM 346 C ILE A 23 -3.978 -0.759 3.072 1.00 0.00 C ATOM 347 O ILE A 23 -4.169 0.459 3.005 1.00 0.00 O ATOM 348 CB ILE A 23 -5.917 -2.341 2.941 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.380 -3.222 4.071 1.00 0.00 C ATOM 350 CG2 ILE A 23 -6.765 -3.196 1.993 1.00 0.00 C ATOM 351 CD1 ILE A 23 -6.540 -3.995 4.702 1.00 0.00 C ATOM 0 H ILE A 23 -4.135 -3.709 1.877 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.146 -1.146 1.328 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.531 -1.545 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.633 -3.915 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.885 -2.608 4.823 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.594 -3.639 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.157 -2.570 1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.148 -3.988 1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.162 -4.624 5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.270 -3.292 5.103 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.015 -4.620 3.946 1.00 0.00 H new ATOM 363 N ALA A 24 -3.102 -1.302 3.908 1.00 0.00 N ATOM 364 CA ALA A 24 -2.314 -0.463 4.801 1.00 0.00 C ATOM 365 C ALA A 24 -1.485 0.523 3.986 1.00 0.00 C ATOM 366 O ALA A 24 -1.263 1.662 4.402 1.00 0.00 O ATOM 367 CB ALA A 24 -1.388 -1.329 5.658 1.00 0.00 C ATOM 0 H ALA A 24 -2.921 -2.303 3.986 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.990 0.088 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.804 -0.691 6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.984 -2.021 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.715 -1.892 5.011 1.00 0.00 H new ATOM 373 N GLY A 25 -1.031 0.070 2.824 1.00 0.00 N ATOM 374 CA GLY A 25 -0.223 0.907 1.949 1.00 0.00 C ATOM 375 C GLY A 25 -1.017 2.096 1.410 1.00 0.00 C ATOM 376 O GLY A 25 -0.487 3.199 1.301 1.00 0.00 O ATOM 0 H GLY A 25 -1.208 -0.869 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.648 1.269 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.148 0.310 1.116 1.00 0.00 H new ATOM 380 N ILE A 26 -2.280 1.874 1.058 1.00 0.00 N ATOM 381 CA ILE A 26 -3.097 2.961 0.515 1.00 0.00 C ATOM 382 C ILE A 26 -3.327 4.059 1.550 1.00 0.00 C ATOM 383 O ILE A 26 -3.238 5.243 1.231 1.00 0.00 O ATOM 384 CB ILE A 26 -4.463 2.441 0.047 1.00 0.00 C ATOM 385 CG1 ILE A 26 -4.301 1.188 -0.816 1.00 0.00 C ATOM 386 CG2 ILE A 26 -5.172 3.519 -0.771 1.00 0.00 C ATOM 387 CD1 ILE A 26 -3.230 1.411 -1.884 1.00 0.00 C ATOM 0 H ILE A 26 -2.754 0.974 1.135 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.548 3.373 -0.332 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.053 2.191 0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.027 0.340 -0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.251 0.940 -1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.141 3.146 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.315 4.407 -0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.566 3.774 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.127 0.510 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.520 2.246 -2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.278 1.636 -1.403 1.00 0.00 H new ATOM 399 N LEU A 27 -3.646 3.665 2.779 1.00 0.00 N ATOM 400 CA LEU A 27 -3.915 4.640 3.836 1.00 0.00 C ATOM 401 C LEU A 27 -2.692 5.518 4.104 1.00 0.00 C ATOM 402 O LEU A 27 -2.797 6.740 4.184 1.00 0.00 O ATOM 403 CB LEU A 27 -4.303 3.900 5.121 1.00 0.00 C ATOM 404 CG LEU A 27 -4.782 4.897 6.189 1.00 0.00 C ATOM 405 CD1 LEU A 27 -6.080 5.580 5.744 1.00 0.00 C ATOM 406 CD2 LEU A 27 -5.034 4.151 7.501 1.00 0.00 C ATOM 0 H LEU A 27 -3.725 2.690 3.068 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.732 5.283 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.091 3.178 4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.448 3.337 5.497 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.012 5.656 6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.404 6.282 6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.907 6.117 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.853 4.827 5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.374 4.855 8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.797 3.389 7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.110 3.677 7.833 1.00 0.00 H new ATOM 418 N PHE A 28 -1.540 4.877 4.245 1.00 0.00 N ATOM 419 CA PHE A 28 -0.291 5.580 4.508 1.00 0.00 C ATOM 420 C PHE A 28 0.172 6.355 3.275 1.00 0.00 C ATOM 421 O PHE A 28 0.691 7.463 3.391 1.00 0.00 O ATOM 422 CB PHE A 28 0.784 4.571 4.921 1.00 0.00 C ATOM 423 CG PHE A 28 2.025 5.306 5.364 1.00 0.00 C ATOM 424 CD1 PHE A 28 3.016 5.630 4.432 1.00 0.00 C ATOM 425 CD2 PHE A 28 2.184 5.662 6.710 1.00 0.00 C ATOM 426 CE1 PHE A 28 4.167 6.309 4.843 1.00 0.00 C ATOM 427 CE2 PHE A 28 3.336 6.343 7.122 1.00 0.00 C ATOM 428 CZ PHE A 28 4.328 6.667 6.188 1.00 0.00 C ATOM 0 H PHE A 28 -1.444 3.864 4.181 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.457 6.293 5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.414 3.941 5.730 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.018 3.912 4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.892 5.356 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.418 5.411 7.429 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.933 6.558 4.123 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.459 6.618 8.159 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.217 7.193 6.504 1.00 0.00 H new ATOM 438 N ILE A 29 -0.033 5.772 2.093 1.00 0.00 N ATOM 439 CA ILE A 29 0.354 6.433 0.846 1.00 0.00 C ATOM 440 C ILE A 29 -0.461 7.698 0.701 1.00 0.00 C ATOM 441 O ILE A 29 0.068 8.773 0.416 1.00 0.00 O ATOM 442 CB ILE A 29 0.110 5.517 -0.355 1.00 0.00 C ATOM 443 CG1 ILE A 29 1.267 4.523 -0.482 1.00 0.00 C ATOM 444 CG2 ILE A 29 0.029 6.360 -1.631 1.00 0.00 C ATOM 445 CD1 ILE A 29 0.851 3.377 -1.407 1.00 0.00 C ATOM 0 H ILE A 29 -0.460 4.854 1.973 1.00 0.00 H new ATOM 0 HA ILE A 29 1.418 6.669 0.878 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.825 4.975 -0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.150 5.024 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.536 4.134 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.145 5.708 -2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.791 7.073 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.965 6.900 -1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.673 2.667 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.020 2.871 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.603 3.775 -2.391 1.00 0.00 H new ATOM 457 N LEU A 30 -1.745 7.570 0.988 1.00 0.00 N ATOM 458 CA LEU A 30 -2.626 8.699 0.987 1.00 0.00 C ATOM 459 C LEU A 30 -2.114 9.577 2.087 1.00 0.00 C ATOM 460 O LEU A 30 -2.191 10.797 2.039 1.00 0.00 O ATOM 461 CB LEU A 30 -4.074 8.283 1.257 1.00 0.00 C ATOM 462 CG LEU A 30 -4.811 8.074 -0.070 1.00 0.00 C ATOM 463 CD1 LEU A 30 -5.994 7.130 0.149 1.00 0.00 C ATOM 464 CD2 LEU A 30 -5.337 9.416 -0.586 1.00 0.00 C ATOM 0 H LEU A 30 -2.192 6.684 1.225 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.638 9.202 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.095 7.364 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.578 9.049 1.847 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.122 7.646 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.519 6.980 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.631 6.171 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.676 7.565 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.860 9.263 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.024 9.843 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.502 10.099 -0.741 1.00 0.00 H new ATOM 476 N GLY A 31 -1.590 8.901 3.103 1.00 0.00 N ATOM 477 CA GLY A 31 -1.049 9.599 4.263 1.00 0.00 C ATOM 478 C GLY A 31 0.031 10.602 3.850 1.00 0.00 C ATOM 479 O GLY A 31 -0.019 11.768 4.241 1.00 0.00 O ATOM 0 H GLY A 31 -1.528 7.884 3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.852 10.119 4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.630 8.876 4.963 1.00 0.00 H new ATOM 483 N ILE A 32 1.007 10.149 3.062 1.00 0.00 N ATOM 484 CA ILE A 32 2.085 11.034 2.618 1.00 0.00 C ATOM 485 C ILE A 32 1.578 12.064 1.607 1.00 0.00 C ATOM 486 O ILE A 32 1.911 13.246 1.697 1.00 0.00 O ATOM 487 CB ILE A 32 3.211 10.218 1.972 1.00 0.00 C ATOM 488 CG1 ILE A 32 3.642 9.067 2.897 1.00 0.00 C ATOM 489 CG2 ILE A 32 4.410 11.130 1.692 1.00 0.00 C ATOM 490 CD1 ILE A 32 3.965 9.594 4.302 1.00 0.00 C ATOM 0 H ILE A 32 1.074 9.190 2.722 1.00 0.00 H new ATOM 0 HA ILE A 32 2.461 11.557 3.497 1.00 0.00 H new ATOM 0 HB ILE A 32 2.845 9.796 1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.847 8.323 2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.516 8.567 2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.210 10.549 1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.109 11.930 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.766 11.561 2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.268 8.764 4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.776 10.320 4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.081 10.073 4.723 1.00 0.00 H new ATOM 502 N LEU A 33 0.779 11.612 0.644 1.00 0.00 N ATOM 503 CA LEU A 33 0.250 12.512 -0.380 1.00 0.00 C ATOM 504 C LEU A 33 -0.604 13.605 0.250 1.00 0.00 C ATOM 505 O LEU A 33 -0.450 14.788 -0.054 1.00 0.00 O ATOM 506 CB LEU A 33 -0.593 11.718 -1.378 1.00 0.00 C ATOM 507 CG LEU A 33 0.269 11.324 -2.578 1.00 0.00 C ATOM 508 CD1 LEU A 33 1.496 10.551 -2.093 1.00 0.00 C ATOM 509 CD2 LEU A 33 -0.550 10.441 -3.524 1.00 0.00 C ATOM 0 H LEU A 33 0.486 10.640 0.550 1.00 0.00 H new ATOM 0 HA LEU A 33 1.089 12.979 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.997 10.826 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.443 12.316 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 33 0.591 12.222 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.111 10.270 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.078 11.179 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.175 9.652 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.063 10.159 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.872 9.543 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.425 10.992 -3.870 1.00 0.00 H new ATOM 521 N ILE A 34 -1.507 13.193 1.126 1.00 0.00 N ATOM 522 CA ILE A 34 -2.399 14.133 1.803 1.00 0.00 C ATOM 523 C ILE A 34 -1.613 15.149 2.629 1.00 0.00 C ATOM 524 O ILE A 34 -1.913 16.342 2.605 1.00 0.00 O ATOM 525 CB ILE A 34 -3.352 13.378 2.731 1.00 0.00 C ATOM 526 CG1 ILE A 34 -4.391 12.621 1.904 1.00 0.00 C ATOM 527 CG2 ILE A 34 -4.065 14.369 3.651 1.00 0.00 C ATOM 528 CD1 ILE A 34 -5.095 11.603 2.801 1.00 0.00 C ATOM 0 H ILE A 34 -1.645 12.217 1.387 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.962 14.662 1.034 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.779 12.670 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.117 13.317 1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.910 12.116 1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.744 13.829 4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.328 14.906 4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.632 15.080 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.838 11.058 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.362 10.902 3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.587 12.122 3.624 1.00 0.00 H new ATOM 540 N VAL A 35 -0.614 14.672 3.368 1.00 0.00 N ATOM 541 CA VAL A 35 0.191 15.561 4.203 1.00 0.00 C ATOM 542 C VAL A 35 0.810 16.670 3.359 1.00 0.00 C ATOM 543 O VAL A 35 0.690 17.851 3.684 1.00 0.00 O ATOM 544 CB VAL A 35 1.296 14.769 4.905 1.00 0.00 C ATOM 545 CG1 VAL A 35 2.322 15.736 5.498 1.00 0.00 C ATOM 546 CG2 VAL A 35 0.684 13.928 6.028 1.00 0.00 C ATOM 0 H VAL A 35 -0.345 13.689 3.406 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.459 16.010 4.953 1.00 0.00 H new ATOM 0 HB VAL A 35 1.787 14.116 4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.109 15.171 5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.758 16.338 4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.831 16.390 6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.470 13.363 6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.193 14.584 6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.048 13.238 5.608 1.00 0.00 H new ATOM 556 N LEU A 36 1.466 16.284 2.270 1.00 0.00 N ATOM 557 CA LEU A 36 2.093 17.260 1.385 1.00 0.00 C ATOM 558 C LEU A 36 1.033 18.125 0.708 1.00 0.00 C ATOM 559 O LEU A 36 1.265 19.299 0.419 1.00 0.00 O ATOM 560 CB LEU A 36 2.923 16.538 0.320 1.00 0.00 C ATOM 561 CG LEU A 36 3.869 17.533 -0.356 1.00 0.00 C ATOM 562 CD1 LEU A 36 5.202 17.563 0.394 1.00 0.00 C ATOM 563 CD2 LEU A 36 4.112 17.101 -1.805 1.00 0.00 C ATOM 0 H LEU A 36 1.577 15.312 1.980 1.00 0.00 H new ATOM 0 HA LEU A 36 2.743 17.901 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.495 15.730 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.266 16.084 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 36 3.421 18.526 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.875 18.272 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.032 17.869 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.650 16.570 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.786 17.809 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.560 16.107 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.164 17.079 -2.342 1.00 0.00 H new ATOM 575 N SER A 37 -0.125 17.529 0.453 1.00 0.00 N ATOM 576 CA SER A 37 -1.222 18.238 -0.198 1.00 0.00 C ATOM 577 C SER A 37 -1.710 19.412 0.649 1.00 0.00 C ATOM 578 O SER A 37 -2.099 20.449 0.117 1.00 0.00 O ATOM 579 CB SER A 37 -2.382 17.275 -0.447 1.00 0.00 C ATOM 580 OG SER A 37 -3.330 17.891 -1.308 1.00 0.00 O ATOM 0 H SER A 37 -0.330 16.557 0.686 1.00 0.00 H new ATOM 0 HA SER A 37 -0.852 18.631 -1.145 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.013 16.352 -0.895 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.854 17.005 0.498 1.00 0.00 H new ATOM 0 HG SER A 37 -4.236 17.672 -1.007 1.00 0.00 H new ATOM 586 N ARG A 38 -1.701 19.237 1.966 1.00 0.00 N ATOM 587 CA ARG A 38 -2.163 20.291 2.868 1.00 0.00 C ATOM 588 C ARG A 38 -1.372 21.581 2.661 1.00 0.00 C ATOM 589 O ARG A 38 -1.921 22.678 2.767 1.00 0.00 O ATOM 590 CB ARG A 38 -2.022 19.833 4.321 1.00 0.00 C ATOM 591 CG ARG A 38 -2.971 18.660 4.581 1.00 0.00 C ATOM 592 CD ARG A 38 -4.130 19.126 5.464 1.00 0.00 C ATOM 593 NE ARG A 38 -5.091 18.043 5.643 1.00 0.00 N ATOM 594 CZ ARG A 38 -5.944 18.044 6.663 1.00 0.00 C ATOM 595 NH1 ARG A 38 -5.930 19.021 7.528 1.00 0.00 N ATOM 596 NH2 ARG A 38 -6.796 17.064 6.801 1.00 0.00 N ATOM 0 H ARG A 38 -1.383 18.386 2.431 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.211 20.490 2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.993 19.533 4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.251 20.657 4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.353 18.271 3.637 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.434 17.845 5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.751 19.450 6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.621 19.987 5.009 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.109 17.273 4.975 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.264 19.786 7.422 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.585 19.020 8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.807 16.299 6.127 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.451 17.064 7.583 1.00 0.00 H new ATOM 610 N ARG A 39 -0.083 21.445 2.371 1.00 0.00 N ATOM 611 CA ARG A 39 0.767 22.612 2.157 1.00 0.00 C ATOM 612 C ARG A 39 0.298 23.408 0.943 1.00 0.00 C ATOM 613 O ARG A 39 0.461 24.628 0.888 1.00 0.00 O ATOM 614 CB ARG A 39 2.217 22.172 1.945 1.00 0.00 C ATOM 615 CG ARG A 39 2.655 21.259 3.095 1.00 0.00 C ATOM 616 CD ARG A 39 2.570 22.019 4.421 1.00 0.00 C ATOM 617 NE ARG A 39 3.486 21.434 5.393 1.00 0.00 N ATOM 618 CZ ARG A 39 4.800 21.599 5.285 1.00 0.00 C ATOM 619 NH1 ARG A 39 5.292 22.294 4.298 1.00 0.00 N ATOM 620 NH2 ARG A 39 5.599 21.064 6.168 1.00 0.00 N ATOM 0 H ARG A 39 0.394 20.548 2.279 1.00 0.00 H new ATOM 0 HA ARG A 39 0.702 23.246 3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.312 21.647 0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.868 23.045 1.893 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.020 20.374 3.131 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.675 20.913 2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.816 23.069 4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.550 21.985 4.804 1.00 0.00 H new ATOM 0 HE ARG A 39 3.112 20.889 6.169 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.668 22.712 3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.301 22.420 4.216 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.214 20.520 6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.608 21.190 6.086 1.00 0.00 H new ATOM 634 N CYS A 40 -0.274 22.711 -0.031 1.00 0.00 N ATOM 635 CA CYS A 40 -0.751 23.362 -1.245 1.00 0.00 C ATOM 636 C CYS A 40 -1.784 24.441 -0.927 1.00 0.00 C ATOM 637 O CYS A 40 -1.782 25.510 -1.536 1.00 0.00 O ATOM 638 CB CYS A 40 -1.369 22.323 -2.182 1.00 0.00 C ATOM 639 SG CYS A 40 -3.117 22.099 -1.768 1.00 0.00 S ATOM 0 H CYS A 40 -0.418 21.702 -0.005 1.00 0.00 H new ATOM 0 HA CYS A 40 0.102 23.837 -1.730 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.268 22.647 -3.218 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.839 21.375 -2.091 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.239 21.134 -0.906 1.00 0.00 H new ATOM 645 N ARG A 41 -2.672 24.153 0.019 1.00 0.00 N ATOM 646 CA ARG A 41 -3.713 25.108 0.393 1.00 0.00 C ATOM 647 C ARG A 41 -3.110 26.397 0.948 1.00 0.00 C ATOM 648 O ARG A 41 -3.533 27.495 0.585 1.00 0.00 O ATOM 649 CB ARG A 41 -4.640 24.487 1.441 1.00 0.00 C ATOM 650 CG ARG A 41 -5.839 25.408 1.672 1.00 0.00 C ATOM 651 CD ARG A 41 -6.768 24.786 2.717 1.00 0.00 C ATOM 652 NE ARG A 41 -6.234 25.005 4.057 1.00 0.00 N ATOM 653 CZ ARG A 41 -6.466 26.137 4.713 1.00 0.00 C ATOM 654 NH1 ARG A 41 -7.181 27.077 4.157 1.00 0.00 N ATOM 655 NH2 ARG A 41 -5.978 26.310 5.910 1.00 0.00 N ATOM 0 H ARG A 41 -2.694 23.275 0.537 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.281 25.352 -0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.980 23.507 1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.100 24.335 2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.499 26.387 2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.378 25.562 0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.763 25.225 2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.875 23.718 2.530 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.673 24.276 4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.561 26.942 3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.360 27.946 4.660 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.418 25.576 6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.157 27.179 6.413 1.00 0.00 H new ATOM 669 N CYS A 42 -2.133 26.258 1.837 1.00 0.00 N ATOM 670 CA CYS A 42 -1.494 27.422 2.443 1.00 0.00 C ATOM 671 C CYS A 42 -0.498 28.074 1.484 1.00 0.00 C ATOM 672 O CYS A 42 -0.309 29.290 1.506 1.00 0.00 O ATOM 673 CB CYS A 42 -0.774 27.005 3.731 1.00 0.00 C ATOM 674 SG CYS A 42 -1.328 25.352 4.225 1.00 0.00 S ATOM 0 H CYS A 42 -1.768 25.359 2.153 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.270 28.152 2.673 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.305 27.007 3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.982 27.722 4.525 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.716 24.997 5.316 1.00 0.00 H new ATOM 680 N LYS A 43 0.141 27.259 0.650 1.00 0.00 N ATOM 681 CA LYS A 43 1.126 27.767 -0.303 1.00 0.00 C ATOM 682 C LYS A 43 0.456 28.476 -1.482 1.00 0.00 C ATOM 683 O LYS A 43 1.006 29.432 -2.029 1.00 0.00 O ATOM 684 CB LYS A 43 1.986 26.612 -0.831 1.00 0.00 C ATOM 685 CG LYS A 43 3.083 26.269 0.184 1.00 0.00 C ATOM 686 CD LYS A 43 4.388 26.966 -0.215 1.00 0.00 C ATOM 687 CE LYS A 43 5.078 26.177 -1.331 1.00 0.00 C ATOM 688 NZ LYS A 43 5.670 27.125 -2.316 1.00 0.00 N ATOM 0 H LYS A 43 -0.003 26.250 0.613 1.00 0.00 H new ATOM 0 HA LYS A 43 1.751 28.490 0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.362 25.737 -1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.435 26.889 -1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.781 26.585 1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.232 25.190 0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.180 27.982 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.048 27.044 0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.856 25.538 -0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.360 25.523 -1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.139 26.590 -3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.918 27.717 -2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.367 27.731 -1.838 1.00 0.00 H new ATOM 702 N PHE A 44 -0.721 28.000 -1.882 1.00 0.00 N ATOM 703 CA PHE A 44 -1.430 28.603 -3.011 1.00 0.00 C ATOM 704 C PHE A 44 -1.886 30.022 -2.694 1.00 0.00 C ATOM 705 O PHE A 44 -1.705 30.935 -3.499 1.00 0.00 O ATOM 706 CB PHE A 44 -2.647 27.761 -3.387 1.00 0.00 C ATOM 707 CG PHE A 44 -3.719 28.665 -3.947 1.00 0.00 C ATOM 708 CD1 PHE A 44 -3.617 29.143 -5.259 1.00 0.00 C ATOM 709 CD2 PHE A 44 -4.812 29.032 -3.153 1.00 0.00 C ATOM 710 CE1 PHE A 44 -4.607 29.987 -5.777 1.00 0.00 C ATOM 711 CE2 PHE A 44 -5.801 29.878 -3.669 1.00 0.00 C ATOM 712 CZ PHE A 44 -5.698 30.355 -4.981 1.00 0.00 C ATOM 0 H PHE A 44 -1.200 27.210 -1.449 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.732 28.640 -3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.369 27.006 -4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.022 27.230 -2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.774 28.860 -5.872 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.892 28.662 -2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.529 30.354 -6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.643 30.162 -3.055 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.461 31.007 -5.379 1.00 0.00 H new ATOM 722 N ASN A 45 -2.488 30.203 -1.526 1.00 0.00 N ATOM 723 CA ASN A 45 -2.975 31.519 -1.129 1.00 0.00 C ATOM 724 C ASN A 45 -1.810 32.452 -0.814 1.00 0.00 C ATOM 725 O ASN A 45 -1.141 32.302 0.208 1.00 0.00 O ATOM 726 CB ASN A 45 -3.879 31.390 0.097 1.00 0.00 C ATOM 727 CG ASN A 45 -5.109 32.277 -0.064 1.00 0.00 C ATOM 728 OD1 ASN A 45 -6.235 31.780 -0.094 1.00 0.00 O ATOM 729 ND2 ASN A 45 -4.961 33.569 -0.170 1.00 0.00 N ATOM 0 H ASN A 45 -2.650 29.464 -0.842 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.544 31.941 -1.957 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.184 30.352 0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.330 31.675 0.995 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.779 34.169 -0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.027 33.979 -0.145 1.00 0.00 H new ATOM 736 N GLN A 46 -1.576 33.416 -1.700 1.00 0.00 N ATOM 737 CA GLN A 46 -0.489 34.369 -1.508 1.00 0.00 C ATOM 738 C GLN A 46 -0.671 35.139 -0.204 1.00 0.00 C ATOM 739 O GLN A 46 0.302 35.476 0.468 1.00 0.00 O ATOM 740 CB GLN A 46 -0.445 35.351 -2.681 1.00 0.00 C ATOM 741 CG GLN A 46 -0.063 34.602 -3.959 1.00 0.00 C ATOM 742 CD GLN A 46 0.080 35.587 -5.114 1.00 0.00 C ATOM 743 OE1 GLN A 46 0.877 36.521 -5.040 1.00 0.00 O ATOM 744 NE2 GLN A 46 -0.651 35.434 -6.185 1.00 0.00 N ATOM 0 H GLN A 46 -2.120 33.557 -2.551 1.00 0.00 H new ATOM 0 HA GLN A 46 0.449 33.816 -1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.416 35.831 -2.804 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.278 36.142 -2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.873 34.064 -3.810 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.823 33.858 -4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.312 34.659 -6.245 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.561 36.089 -6.961 1.00 0.00 H new ATOM 753 N GLN A 47 -1.923 35.417 0.146 1.00 0.00 N ATOM 754 CA GLN A 47 -2.214 36.152 1.371 1.00 0.00 C ATOM 755 C GLN A 47 -1.673 35.410 2.587 1.00 0.00 C ATOM 756 O GLN A 47 -1.027 36.003 3.452 1.00 0.00 O ATOM 757 CB GLN A 47 -3.725 36.339 1.520 1.00 0.00 C ATOM 758 CG GLN A 47 -4.271 37.075 0.294 1.00 0.00 C ATOM 759 CD GLN A 47 -3.696 38.486 0.232 1.00 0.00 C ATOM 760 OE1 GLN A 47 -2.601 38.688 -0.293 1.00 0.00 O ATOM 761 NE2 GLN A 47 -4.371 39.479 0.739 1.00 0.00 N ATOM 0 H GLN A 47 -2.744 35.147 -0.395 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.729 37.126 1.309 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.214 35.370 1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.945 36.905 2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.013 36.528 -0.613 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.359 37.119 0.341 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.278 39.310 1.174 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.992 40.425 0.701 1.00 0.00 H new ATOM 770 N GLN A 48 -1.938 34.109 2.648 1.00 0.00 N ATOM 771 CA GLN A 48 -1.470 33.296 3.764 1.00 0.00 C ATOM 772 C GLN A 48 0.052 33.187 3.744 1.00 0.00 C ATOM 773 O GLN A 48 0.705 33.292 4.781 1.00 0.00 O ATOM 774 CB GLN A 48 -2.083 31.897 3.689 1.00 0.00 C ATOM 775 CG GLN A 48 -3.607 31.999 3.799 1.00 0.00 C ATOM 776 CD GLN A 48 -4.236 30.617 3.655 1.00 0.00 C ATOM 777 OE1 GLN A 48 -4.477 30.157 2.538 1.00 0.00 O ATOM 778 NE2 GLN A 48 -4.515 29.921 4.725 1.00 0.00 N ATOM 0 H GLN A 48 -2.470 33.598 1.943 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.779 33.777 4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.807 31.418 2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.691 31.273 4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.882 32.434 4.760 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.992 32.665 3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.315 30.304 5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.933 28.995 4.636 1.00 0.00 H new ATOM 787 N ARG A 49 0.607 32.979 2.554 1.00 0.00 N ATOM 788 CA ARG A 49 2.052 32.857 2.408 1.00 0.00 C ATOM 789 C ARG A 49 2.464 33.105 0.960 1.00 0.00 C ATOM 790 O ARG A 49 1.814 32.625 0.029 1.00 0.00 O ATOM 791 CB ARG A 49 2.506 31.461 2.840 1.00 0.00 C ATOM 792 CG ARG A 49 3.746 31.575 3.732 1.00 0.00 C ATOM 793 CD ARG A 49 4.208 30.176 4.145 1.00 0.00 C ATOM 794 NE ARG A 49 5.148 30.261 5.258 1.00 0.00 N ATOM 795 CZ ARG A 49 5.642 29.166 5.828 1.00 0.00 C ATOM 796 NH1 ARG A 49 5.292 27.987 5.391 1.00 0.00 N ATOM 797 NH2 ARG A 49 6.477 29.269 6.825 1.00 0.00 N ATOM 0 H ARG A 49 0.082 32.892 1.684 1.00 0.00 H new ATOM 0 HA ARG A 49 2.528 33.604 3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.703 30.958 3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.731 30.854 1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.545 32.091 3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.518 32.170 4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.348 29.572 4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.680 29.677 3.299 1.00 0.00 H new ATOM 0 HE ARG A 49 5.431 31.177 5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.639 27.905 4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.671 27.148 5.829 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.751 30.190 7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.856 28.429 7.262 1.00 0.00 H new ATOM 811 N THR A 50 3.544 33.855 0.777 1.00 0.00 N ATOM 812 CA THR A 50 4.032 34.160 -0.564 1.00 0.00 C ATOM 813 C THR A 50 5.196 33.246 -0.931 1.00 0.00 C ATOM 814 O THR A 50 6.088 33.000 -0.119 1.00 0.00 O ATOM 815 CB THR A 50 4.485 35.622 -0.635 1.00 0.00 C ATOM 816 OG1 THR A 50 3.453 36.459 -0.132 1.00 0.00 O ATOM 817 CG2 THR A 50 4.787 35.997 -2.086 1.00 0.00 C ATOM 0 H THR A 50 4.095 34.261 1.533 1.00 0.00 H new ATOM 0 HA THR A 50 3.220 33.997 -1.272 1.00 0.00 H new ATOM 0 HB THR A 50 5.386 35.753 -0.035 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.741 37.395 -0.175 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.109 37.037 -2.133 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.579 35.354 -2.471 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.889 35.867 -2.690 1.00 0.00 H new ATOM 825 N GLY A 51 5.180 32.745 -2.162 1.00 0.00 N ATOM 826 CA GLY A 51 6.238 31.858 -2.630 1.00 0.00 C ATOM 827 C GLY A 51 6.563 32.121 -4.097 1.00 0.00 C ATOM 828 O GLY A 51 6.991 33.217 -4.460 1.00 0.00 O ATOM 0 H GLY A 51 4.451 32.937 -2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.133 32.002 -2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.930 30.820 -2.502 1.00 0.00 H new ATOM 832 N GLU A 52 6.360 31.107 -4.933 1.00 0.00 N ATOM 833 CA GLU A 52 6.636 31.234 -6.361 1.00 0.00 C ATOM 834 C GLU A 52 5.323 31.285 -7.165 1.00 0.00 C ATOM 835 O GLU A 52 4.706 30.243 -7.381 1.00 0.00 O ATOM 836 CB GLU A 52 7.444 30.021 -6.826 1.00 0.00 C ATOM 837 CG GLU A 52 8.919 30.225 -6.478 1.00 0.00 C ATOM 838 CD GLU A 52 9.602 31.043 -7.569 1.00 0.00 C ATOM 839 OE1 GLU A 52 8.908 31.774 -8.256 1.00 0.00 O ATOM 840 OE2 GLU A 52 10.809 30.925 -7.702 1.00 0.00 O ATOM 0 H GLU A 52 6.007 30.193 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 52 7.194 32.155 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.069 29.116 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.329 29.885 -7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.008 30.736 -5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.413 29.259 -6.372 1.00 0.00 H new ATOM 847 N PRO A 53 4.873 32.442 -7.621 1.00 0.00 N ATOM 848 CA PRO A 53 3.608 32.529 -8.412 1.00 0.00 C ATOM 849 C PRO A 53 3.616 31.576 -9.606 1.00 0.00 C ATOM 850 O PRO A 53 4.617 31.462 -10.312 1.00 0.00 O ATOM 851 CB PRO A 53 3.551 33.987 -8.879 1.00 0.00 C ATOM 852 CG PRO A 53 4.418 34.745 -7.933 1.00 0.00 C ATOM 853 CD PRO A 53 5.487 33.772 -7.443 1.00 0.00 C ATOM 0 HA PRO A 53 2.740 32.242 -7.818 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.910 34.085 -9.904 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.529 34.364 -8.862 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.873 35.603 -8.428 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.834 35.131 -7.098 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.407 33.867 -8.020 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.745 33.955 -6.400 1.00 0.00 H new ATOM 861 N ASP A 54 2.496 30.895 -9.825 1.00 0.00 N ATOM 862 CA ASP A 54 2.390 29.956 -10.936 1.00 0.00 C ATOM 863 C ASP A 54 0.955 29.465 -11.091 1.00 0.00 C ATOM 864 O ASP A 54 0.019 30.075 -10.574 1.00 0.00 O ATOM 865 CB ASP A 54 3.316 28.762 -10.700 1.00 0.00 C ATOM 866 CG ASP A 54 2.735 27.857 -9.619 1.00 0.00 C ATOM 867 OD1 ASP A 54 2.830 28.219 -8.457 1.00 0.00 O ATOM 868 OD2 ASP A 54 2.203 26.816 -9.968 1.00 0.00 O ATOM 0 H ASP A 54 1.655 30.974 -9.253 1.00 0.00 H new ATOM 0 HA ASP A 54 2.685 30.471 -11.850 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.443 28.201 -11.626 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.304 29.111 -10.401 1.00 0.00 H new ATOM 873 N GLU A 55 0.788 28.358 -11.808 1.00 0.00 N ATOM 874 CA GLU A 55 -0.538 27.792 -12.027 1.00 0.00 C ATOM 875 C GLU A 55 -0.838 26.717 -10.987 1.00 0.00 C ATOM 876 O GLU A 55 -0.216 26.679 -9.925 1.00 0.00 O ATOM 877 CB GLU A 55 -0.623 27.192 -13.431 1.00 0.00 C ATOM 878 CG GLU A 55 -0.328 28.278 -14.467 1.00 0.00 C ATOM 879 CD GLU A 55 -0.525 27.725 -15.873 1.00 0.00 C ATOM 880 OE1 GLU A 55 -0.672 26.520 -16.000 1.00 0.00 O ATOM 881 OE2 GLU A 55 -0.527 28.514 -16.804 1.00 0.00 O ATOM 0 H GLU A 55 1.549 27.838 -12.245 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.276 28.588 -11.930 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.090 26.374 -13.532 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.615 26.773 -13.600 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.986 29.132 -14.308 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.694 28.637 -14.349 1.00 0.00 H new ATOM 888 N GLU A 56 -1.796 25.849 -11.294 1.00 0.00 N ATOM 889 CA GLU A 56 -2.169 24.783 -10.372 1.00 0.00 C ATOM 890 C GLU A 56 -2.603 25.369 -9.035 1.00 0.00 C ATOM 891 O GLU A 56 -1.885 25.271 -8.039 1.00 0.00 O ATOM 892 CB GLU A 56 -0.987 23.834 -10.159 1.00 0.00 C ATOM 893 CG GLU A 56 -1.455 22.600 -9.386 1.00 0.00 C ATOM 894 CD GLU A 56 -0.275 21.671 -9.118 1.00 0.00 C ATOM 895 OE1 GLU A 56 0.839 22.056 -9.432 1.00 0.00 O ATOM 896 OE2 GLU A 56 -0.503 20.589 -8.603 1.00 0.00 O ATOM 0 H GLU A 56 -2.324 25.862 -12.166 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.002 24.227 -10.803 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.568 23.537 -11.120 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.194 24.341 -9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.911 22.903 -8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.221 22.073 -9.956 1.00 0.00 H new ATOM 903 N GLU A 57 -3.781 25.984 -9.022 1.00 0.00 N ATOM 904 CA GLU A 57 -4.307 26.592 -7.806 1.00 0.00 C ATOM 905 C GLU A 57 -4.557 25.533 -6.738 1.00 0.00 C ATOM 906 O GLU A 57 -5.159 24.495 -7.010 1.00 0.00 O ATOM 907 CB GLU A 57 -5.615 27.319 -8.116 1.00 0.00 C ATOM 908 CG GLU A 57 -5.367 28.388 -9.182 1.00 0.00 C ATOM 909 CD GLU A 57 -6.657 29.146 -9.470 1.00 0.00 C ATOM 910 OE1 GLU A 57 -7.704 28.674 -9.056 1.00 0.00 O ATOM 911 OE2 GLU A 57 -6.582 30.186 -10.102 1.00 0.00 O ATOM 0 H GLU A 57 -4.388 26.074 -9.837 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.571 27.302 -7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.364 26.608 -8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.011 27.779 -7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.597 29.080 -8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.997 27.923 -10.096 1.00 0.00 H new ATOM 918 N GLY A 58 -4.100 25.805 -5.521 1.00 0.00 N ATOM 919 CA GLY A 58 -4.292 24.870 -4.420 1.00 0.00 C ATOM 920 C GLY A 58 -5.736 24.905 -3.939 1.00 0.00 C ATOM 921 O GLY A 58 -6.183 24.015 -3.216 1.00 0.00 O ATOM 0 H GLY A 58 -3.598 26.658 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.034 23.861 -4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.622 25.124 -3.598 1.00 0.00 H new ATOM 925 N THR A 59 -6.464 25.939 -4.349 1.00 0.00 N ATOM 926 CA THR A 59 -7.861 26.080 -3.958 1.00 0.00 C ATOM 927 C THR A 59 -8.714 25.027 -4.657 1.00 0.00 C ATOM 928 O THR A 59 -9.940 25.042 -4.557 1.00 0.00 O ATOM 929 CB THR A 59 -8.374 27.476 -4.320 1.00 0.00 C ATOM 930 OG1 THR A 59 -7.346 28.202 -4.977 1.00 0.00 O ATOM 931 CG2 THR A 59 -8.790 28.214 -3.048 1.00 0.00 C ATOM 0 H THR A 59 -6.112 26.686 -4.948 1.00 0.00 H new ATOM 0 HA THR A 59 -7.933 25.940 -2.879 1.00 0.00 H new ATOM 0 HB THR A 59 -9.235 27.386 -4.983 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.294 29.106 -4.603 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.155 29.208 -3.307 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.581 27.656 -2.546 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.931 28.305 -2.383 1.00 0.00 H new ATOM 939 N PHE A 60 -8.056 24.104 -5.355 1.00 0.00 N ATOM 940 CA PHE A 60 -8.776 23.047 -6.051 1.00 0.00 C ATOM 941 C PHE A 60 -9.404 22.114 -5.027 1.00 0.00 C ATOM 942 O PHE A 60 -10.539 21.662 -5.184 1.00 0.00 O ATOM 943 CB PHE A 60 -7.826 22.264 -6.957 1.00 0.00 C ATOM 944 CG PHE A 60 -8.630 21.398 -7.896 1.00 0.00 C ATOM 945 CD1 PHE A 60 -9.054 21.910 -9.129 1.00 0.00 C ATOM 946 CD2 PHE A 60 -8.955 20.086 -7.534 1.00 0.00 C ATOM 947 CE1 PHE A 60 -9.801 21.108 -10.000 1.00 0.00 C ATOM 948 CE2 PHE A 60 -9.703 19.284 -8.405 1.00 0.00 C ATOM 949 CZ PHE A 60 -10.125 19.796 -9.638 1.00 0.00 C ATOM 0 H PHE A 60 -7.041 24.068 -5.452 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.556 23.490 -6.670 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.199 22.951 -7.525 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -7.159 21.646 -6.356 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.805 22.923 -9.408 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.629 19.692 -6.583 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.127 21.502 -10.951 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.954 18.271 -8.126 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.701 19.178 -10.310 1.00 0.00 H new ATOM 959 N ARG A 61 -8.650 21.852 -3.968 1.00 0.00 N ATOM 960 CA ARG A 61 -9.117 20.993 -2.890 1.00 0.00 C ATOM 961 C ARG A 61 -10.376 21.585 -2.264 1.00 0.00 C ATOM 962 O ARG A 61 -11.251 20.864 -1.793 1.00 0.00 O ATOM 963 CB ARG A 61 -8.027 20.867 -1.820 1.00 0.00 C ATOM 964 CG ARG A 61 -8.087 19.482 -1.166 1.00 0.00 C ATOM 965 CD ARG A 61 -7.239 18.501 -1.978 1.00 0.00 C ATOM 966 NE ARG A 61 -7.317 17.164 -1.402 1.00 0.00 N ATOM 967 CZ ARG A 61 -6.543 16.179 -1.849 1.00 0.00 C ATOM 968 NH1 ARG A 61 -5.692 16.406 -2.812 1.00 0.00 N ATOM 969 NH2 ARG A 61 -6.631 14.987 -1.324 1.00 0.00 N ATOM 0 H ARG A 61 -7.710 22.224 -3.833 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.345 20.007 -3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.046 21.023 -2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.158 21.641 -1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.720 19.535 -0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.119 19.135 -1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.586 18.480 -3.011 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.202 18.836 -1.997 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.975 16.981 -0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.621 17.338 -3.221 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.098 15.652 -3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.294 14.810 -0.570 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.037 14.233 -1.668 1.00 0.00 H new ATOM 983 N SER A 62 -10.441 22.913 -2.254 1.00 0.00 N ATOM 984 CA SER A 62 -11.573 23.627 -1.673 1.00 0.00 C ATOM 985 C SER A 62 -12.875 23.283 -2.389 1.00 0.00 C ATOM 986 O SER A 62 -13.943 23.275 -1.778 1.00 0.00 O ATOM 987 CB SER A 62 -11.333 25.136 -1.756 1.00 0.00 C ATOM 988 OG SER A 62 -11.836 25.623 -2.993 1.00 0.00 O ATOM 0 H SER A 62 -9.719 23.519 -2.644 1.00 0.00 H new ATOM 0 HA SER A 62 -11.662 23.320 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.826 25.641 -0.925 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.268 25.352 -1.673 1.00 0.00 H new ATOM 0 HG SER A 62 -11.392 25.158 -3.733 1.00 0.00 H new ATOM 994 N SER A 63 -12.787 23.024 -3.688 1.00 0.00 N ATOM 995 CA SER A 63 -13.976 22.707 -4.472 1.00 0.00 C ATOM 996 C SER A 63 -14.625 21.405 -4.000 1.00 0.00 C ATOM 997 O SER A 63 -15.845 21.265 -4.049 1.00 0.00 O ATOM 998 CB SER A 63 -13.603 22.590 -5.950 1.00 0.00 C ATOM 999 OG SER A 63 -12.821 23.716 -6.329 1.00 0.00 O ATOM 0 H SER A 63 -11.915 23.027 -4.217 1.00 0.00 H new ATOM 0 HA SER A 63 -14.696 23.514 -4.335 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.045 21.670 -6.124 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.504 22.537 -6.561 1.00 0.00 H new ATOM 0 HG SER A 63 -12.579 23.643 -7.276 1.00 0.00 H new ATOM 1005 N ILE A 64 -13.814 20.455 -3.541 1.00 0.00 N ATOM 1006 CA ILE A 64 -14.353 19.181 -3.068 1.00 0.00 C ATOM 1007 C ILE A 64 -15.232 19.381 -1.834 1.00 0.00 C ATOM 1008 O ILE A 64 -16.195 18.643 -1.628 1.00 0.00 O ATOM 1009 CB ILE A 64 -13.223 18.158 -2.812 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -12.621 18.277 -1.397 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -12.115 18.387 -3.836 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -13.260 17.236 -0.469 1.00 0.00 C ATOM 0 H ILE A 64 -12.799 20.539 -3.486 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.987 18.769 -3.853 1.00 0.00 H new ATOM 0 HB ILE A 64 -13.655 17.161 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.542 18.127 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -12.789 19.280 -1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.310 17.672 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -12.515 18.253 -4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.727 19.400 -3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.830 17.326 0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -14.335 17.406 -0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -13.069 16.236 -0.858 1.00 0.00 H new ATOM 1024 N ARG A 65 -14.895 20.375 -1.011 1.00 0.00 N ATOM 1025 CA ARG A 65 -15.670 20.634 0.194 1.00 0.00 C ATOM 1026 C ARG A 65 -17.118 20.898 -0.180 1.00 0.00 C ATOM 1027 O ARG A 65 -18.036 20.568 0.572 1.00 0.00 O ATOM 1028 CB ARG A 65 -15.107 21.835 0.956 1.00 0.00 C ATOM 1029 CG ARG A 65 -15.784 21.909 2.326 1.00 0.00 C ATOM 1030 CD ARG A 65 -15.309 23.151 3.079 1.00 0.00 C ATOM 1031 NE ARG A 65 -15.914 23.182 4.407 1.00 0.00 N ATOM 1032 CZ ARG A 65 -16.150 24.329 5.039 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -15.816 25.466 4.491 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -16.717 24.313 6.214 1.00 0.00 N ATOM 0 H ARG A 65 -14.104 21.002 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 65 -15.610 19.758 0.840 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.028 21.736 1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -15.284 22.754 0.397 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.867 21.940 2.204 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.553 21.014 2.903 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -14.222 23.143 3.164 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -15.579 24.050 2.525 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.162 22.303 4.862 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.371 25.479 3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.000 26.342 4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -16.977 23.425 6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -16.901 25.189 6.704 1.00 0.00 H new ATOM 1048 N ARG A 66 -17.321 21.459 -1.365 1.00 0.00 N ATOM 1049 CA ARG A 66 -18.662 21.717 -1.842 1.00 0.00 C ATOM 1050 C ARG A 66 -19.433 20.410 -1.817 1.00 0.00 C ATOM 1051 O ARG A 66 -20.624 20.381 -1.557 1.00 0.00 O ATOM 1052 CB ARG A 66 -18.617 22.281 -3.261 1.00 0.00 C ATOM 1053 CG ARG A 66 -17.770 23.555 -3.266 1.00 0.00 C ATOM 1054 CD ARG A 66 -17.623 24.067 -4.698 1.00 0.00 C ATOM 1055 NE ARG A 66 -16.914 25.341 -4.707 1.00 0.00 N ATOM 1056 CZ ARG A 66 -17.560 26.488 -4.529 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -18.847 26.487 -4.316 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -16.906 27.616 -4.561 1.00 0.00 N ATOM 0 H ARG A 66 -16.578 21.740 -2.004 1.00 0.00 H new ATOM 0 HA ARG A 66 -19.153 22.451 -1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.194 21.545 -3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -19.626 22.499 -3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.238 24.317 -2.643 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.788 23.353 -2.839 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -17.081 23.337 -5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.607 24.187 -5.152 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.904 25.352 -4.852 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.358 25.605 -4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.342 27.368 -4.179 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.899 27.617 -4.723 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.402 28.497 -4.424 1.00 0.00 H new ATOM 1072 N LEU A 67 -18.726 19.325 -2.084 1.00 0.00 N ATOM 1073 CA LEU A 67 -19.332 18.003 -2.088 1.00 0.00 C ATOM 1074 C LEU A 67 -20.007 17.709 -0.743 1.00 0.00 C ATOM 1075 O LEU A 67 -20.891 16.857 -0.663 1.00 0.00 O ATOM 1076 CB LEU A 67 -18.248 16.954 -2.359 1.00 0.00 C ATOM 1077 CG LEU A 67 -18.891 15.649 -2.830 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -18.897 15.610 -4.359 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -18.084 14.463 -2.296 1.00 0.00 C ATOM 0 H LEU A 67 -17.729 19.333 -2.301 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.092 17.967 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.555 17.322 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -17.667 16.777 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.914 15.591 -2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -19.355 14.681 -4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.467 16.456 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.873 15.665 -4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -18.541 13.532 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -17.062 14.521 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -18.074 14.491 -1.206 1.00 0.00 H new ATOM 1091 N SER A 68 -19.577 18.402 0.314 1.00 0.00 N ATOM 1092 CA SER A 68 -20.149 18.175 1.644 1.00 0.00 C ATOM 1093 C SER A 68 -21.595 18.668 1.734 1.00 0.00 C ATOM 1094 O SER A 68 -22.473 17.940 2.199 1.00 0.00 O ATOM 1095 CB SER A 68 -19.306 18.889 2.702 1.00 0.00 C ATOM 1096 OG SER A 68 -19.788 18.544 3.995 1.00 0.00 O ATOM 0 H SER A 68 -18.847 19.114 0.278 1.00 0.00 H new ATOM 0 HA SER A 68 -20.145 17.100 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.259 18.604 2.603 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.357 19.968 2.558 1.00 0.00 H new ATOM 0 HG SER A 68 -19.250 18.998 4.677 1.00 0.00 H new ATOM 1102 N THR A 69 -21.837 19.899 1.287 1.00 0.00 N ATOM 1103 CA THR A 69 -23.185 20.471 1.322 1.00 0.00 C ATOM 1104 C THR A 69 -23.770 20.505 -0.084 1.00 0.00 C ATOM 1105 O THR A 69 -24.949 20.225 -0.294 1.00 0.00 O ATOM 1106 CB THR A 69 -23.138 21.892 1.895 1.00 0.00 C ATOM 1107 OG1 THR A 69 -22.261 22.689 1.111 1.00 0.00 O ATOM 1108 CG2 THR A 69 -22.634 21.846 3.339 1.00 0.00 C ATOM 0 H THR A 69 -21.124 20.517 0.899 1.00 0.00 H new ATOM 0 HA THR A 69 -23.815 19.850 1.959 1.00 0.00 H new ATOM 0 HB THR A 69 -24.138 22.325 1.875 1.00 0.00 H new ATOM 0 HG1 THR A 69 -22.232 23.598 1.475 1.00 0.00 H new ATOM 0 HG21 THR A 69 -22.601 22.857 3.745 1.00 0.00 H new ATOM 0 HG22 THR A 69 -23.307 21.235 3.940 1.00 0.00 H new ATOM 0 HG23 THR A 69 -21.634 21.413 3.362 1.00 0.00 H new ATOM 1116 N ARG A 70 -22.914 20.831 -1.039 1.00 0.00 N ATOM 1117 CA ARG A 70 -23.301 20.885 -2.444 1.00 0.00 C ATOM 1118 C ARG A 70 -24.402 21.919 -2.692 1.00 0.00 C ATOM 1119 O ARG A 70 -24.114 23.056 -3.066 1.00 0.00 O ATOM 1120 CB ARG A 70 -23.753 19.495 -2.907 1.00 0.00 C ATOM 1121 CG ARG A 70 -23.874 19.471 -4.432 1.00 0.00 C ATOM 1122 CD ARG A 70 -24.592 18.192 -4.862 1.00 0.00 C ATOM 1123 NE ARG A 70 -23.902 17.023 -4.330 1.00 0.00 N ATOM 1124 CZ ARG A 70 -24.374 15.798 -4.533 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -25.470 15.627 -5.219 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -23.741 14.765 -4.045 1.00 0.00 N ATOM 0 H ARG A 70 -21.936 21.065 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 70 -22.432 21.196 -3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -23.038 18.741 -2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -24.712 19.244 -2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -24.425 20.345 -4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -22.885 19.517 -4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -25.622 18.208 -4.507 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -24.631 18.136 -5.950 1.00 0.00 H new ATOM 0 HE ARG A 70 -23.043 17.148 -3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -25.965 16.434 -5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -25.833 14.686 -5.375 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -22.884 14.899 -3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -24.103 13.824 -4.201 1.00 0.00 H new ATOM 1140 N ARG A 71 -25.659 21.525 -2.502 1.00 0.00 N ATOM 1141 CA ARG A 71 -26.772 22.438 -2.732 1.00 0.00 C ATOM 1142 C ARG A 71 -26.645 23.678 -1.854 1.00 0.00 C ATOM 1143 O ARG A 71 -26.135 23.610 -0.737 1.00 0.00 O ATOM 1144 CB ARG A 71 -28.098 21.731 -2.445 1.00 0.00 C ATOM 1145 CG ARG A 71 -28.222 20.500 -3.347 1.00 0.00 C ATOM 1146 CD ARG A 71 -29.633 19.920 -3.235 1.00 0.00 C ATOM 1147 NE ARG A 71 -30.007 19.769 -1.833 1.00 0.00 N ATOM 1148 CZ ARG A 71 -29.454 18.831 -1.071 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -28.565 18.021 -1.577 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -29.802 18.719 0.181 1.00 0.00 N ATOM 0 H ARG A 71 -25.929 20.591 -2.193 1.00 0.00 H new ATOM 0 HA ARG A 71 -26.749 22.750 -3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -28.146 21.434 -1.397 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -28.931 22.411 -2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -28.011 20.772 -4.381 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -27.486 19.750 -3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -30.344 20.574 -3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -29.677 18.953 -3.737 1.00 0.00 H new ATOM 0 HE ARG A 71 -30.705 20.394 -1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -28.295 18.108 -2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -28.140 17.301 -0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -30.499 19.351 0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -29.378 17.999 0.766 1.00 0.00 H new ATOM 1164 N ARG A 72 -27.107 24.812 -2.375 1.00 0.00 N ATOM 1165 CA ARG A 72 -27.038 26.068 -1.637 1.00 0.00 C ATOM 1166 C ARG A 72 -25.596 26.381 -1.254 1.00 0.00 C ATOM 1167 O ARG A 72 -24.936 27.065 -2.019 1.00 0.00 O ATOM 1168 CB ARG A 72 -27.900 25.984 -0.373 1.00 0.00 C ATOM 1169 CG ARG A 72 -27.909 27.343 0.330 1.00 0.00 C ATOM 1170 CD ARG A 72 -28.840 27.285 1.542 1.00 0.00 C ATOM 1171 NE ARG A 72 -28.711 28.503 2.335 1.00 0.00 N ATOM 1172 CZ ARG A 72 -29.168 29.666 1.887 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -29.756 29.732 0.725 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -29.029 30.743 2.610 1.00 0.00 N ATOM 1175 OXT ARG A 72 -25.173 25.933 -0.201 1.00 0.00 O ATOM 0 H ARG A 72 -27.531 24.886 -3.300 1.00 0.00 H new ATOM 0 HA ARG A 72 -27.415 26.866 -2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -28.917 25.690 -0.632 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.508 25.219 0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -26.900 27.608 0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.241 28.119 -0.360 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -29.872 27.165 1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -28.598 26.416 2.154 1.00 0.00 H new ATOM 0 HE ARG A 72 -28.262 28.460 3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -29.865 28.890 0.160 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.107 30.626 0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -28.569 30.691 3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -29.380 31.637 2.266 1.00 0.00 H new TER 1189 ARG A 72