USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 543 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 9 SER OG : rot 180:sc= -1.54 USER MOD Set 1.2: A 12 GLN : amide:sc= -2.59! C(o=-4.1!,f=-8.2!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -1 MET N :NH3+ -172:sc= 0 (180deg=-0.0421) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= -0.0899 (180deg=-0.475) USER MOD Single : A 21 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.031) USER MOD Single : A 23 ASN : amide:sc= -1.26 K(o=-1.3,f=0.076) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.705 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc=-0.00323 X(o=-0.0032,f=0) USER MOD Single : A 35 SER OG : rot -63:sc= 0.565 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.264 X(o=-0.26,f=-0.1) USER MOD Single : A 44 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.3) USER MOD Single : A 46 LYS NZ :NH3+ -108:sc= 0 (180deg=-1.01) USER MOD Single : A 50 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.054) USER MOD Single : A 51 ASN : amide:sc= -0.0642 X(o=-0.064,f=-0.11) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.035) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 22:sc= 0.0122 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -1 16.593 -13.668 18.877 1.00 0.00 N ATOM 2 CA MET A -1 16.483 -12.350 18.186 1.00 0.00 C ATOM 3 C MET A -1 15.174 -12.236 17.412 1.00 0.00 C ATOM 4 O MET A -1 14.723 -13.197 16.788 1.00 0.00 O ATOM 5 CB MET A -1 17.672 -12.189 17.235 1.00 0.00 C ATOM 6 CG MET A -1 19.018 -12.167 17.939 1.00 0.00 C ATOM 7 SD MET A -1 20.344 -11.551 16.885 1.00 0.00 S ATOM 8 CE MET A -1 21.307 -13.042 16.647 1.00 0.00 C ATOM 0 H1 MET A -1 17.425 -13.664 19.501 1.00 0.00 H new ATOM 0 H2 MET A -1 15.736 -13.836 19.442 1.00 0.00 H new ATOM 0 H3 MET A -1 16.695 -14.423 18.170 1.00 0.00 H new ATOM 0 HA MET A -1 16.492 -11.558 18.935 1.00 0.00 H new ATOM 0 HB2 MET A -1 17.662 -13.006 16.514 1.00 0.00 H new ATOM 0 HB3 MET A -1 17.552 -11.264 16.671 1.00 0.00 H new ATOM 0 HG2 MET A -1 18.947 -11.543 18.830 1.00 0.00 H new ATOM 0 HG3 MET A -1 19.264 -13.174 18.275 1.00 0.00 H new ATOM 0 HE1 MET A -1 22.166 -12.823 16.013 1.00 0.00 H new ATOM 0 HE2 MET A -1 21.653 -13.410 17.613 1.00 0.00 H new ATOM 0 HE3 MET A -1 20.689 -13.802 16.170 1.00 0.00 H new ATOM 20 N ASP A 0 14.568 -11.053 17.455 1.00 0.00 N ATOM 21 CA ASP A 0 13.310 -10.813 16.757 1.00 0.00 C ATOM 22 C ASP A 0 13.345 -9.477 16.019 1.00 0.00 C ATOM 23 O ASP A 0 13.637 -8.438 16.611 1.00 0.00 O ATOM 24 CB ASP A 0 12.141 -10.838 17.745 1.00 0.00 C ATOM 25 CG ASP A 0 11.279 -12.075 17.589 1.00 0.00 C ATOM 26 OD1 ASP A 0 11.835 -13.193 17.612 1.00 0.00 O ATOM 27 OD2 ASP A 0 10.047 -11.925 17.443 1.00 0.00 O ATOM 0 H ASP A 0 14.928 -10.247 17.966 1.00 0.00 H new ATOM 0 HA ASP A 0 13.171 -11.608 16.024 1.00 0.00 H new ATOM 0 HB2 ASP A 0 12.528 -10.794 18.763 1.00 0.00 H new ATOM 0 HB3 ASP A 0 11.527 -9.950 17.599 1.00 0.00 H new ATOM 32 N GLU A 1 13.042 -9.514 14.725 1.00 0.00 N ATOM 33 CA GLU A 1 13.039 -8.306 13.907 1.00 0.00 C ATOM 34 C GLU A 1 12.090 -8.457 12.722 1.00 0.00 C ATOM 35 O GLU A 1 12.463 -9.001 11.682 1.00 0.00 O ATOM 36 CB GLU A 1 14.454 -7.996 13.414 1.00 0.00 C ATOM 37 CG GLU A 1 14.954 -6.621 13.828 1.00 0.00 C ATOM 38 CD GLU A 1 15.470 -6.593 15.252 1.00 0.00 C ATOM 39 OE1 GLU A 1 16.454 -7.306 15.542 1.00 0.00 O ATOM 40 OE2 GLU A 1 14.891 -5.858 16.080 1.00 0.00 O ATOM 0 H GLU A 1 12.796 -10.366 14.221 1.00 0.00 H new ATOM 0 HA GLU A 1 12.690 -7.477 14.523 1.00 0.00 H new ATOM 0 HB2 GLU A 1 15.138 -8.753 13.798 1.00 0.00 H new ATOM 0 HB3 GLU A 1 14.475 -8.069 12.327 1.00 0.00 H new ATOM 0 HG2 GLU A 1 15.749 -6.309 13.151 1.00 0.00 H new ATOM 0 HG3 GLU A 1 14.145 -5.898 13.724 1.00 0.00 H new ATOM 47 N LYS A 2 10.864 -7.971 12.884 1.00 0.00 N ATOM 48 CA LYS A 2 9.863 -8.051 11.827 1.00 0.00 C ATOM 49 C LYS A 2 9.402 -6.659 11.407 1.00 0.00 C ATOM 50 O LYS A 2 9.458 -5.713 12.192 1.00 0.00 O ATOM 51 CB LYS A 2 8.664 -8.880 12.293 1.00 0.00 C ATOM 52 CG LYS A 2 7.738 -9.299 11.164 1.00 0.00 C ATOM 53 CD LYS A 2 6.669 -10.265 11.649 1.00 0.00 C ATOM 54 CE LYS A 2 5.477 -10.301 10.705 1.00 0.00 C ATOM 55 NZ LYS A 2 4.250 -9.742 11.337 1.00 0.00 N ATOM 0 H LYS A 2 10.540 -7.517 13.738 1.00 0.00 H new ATOM 0 HA LYS A 2 10.319 -8.538 10.965 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.026 -9.772 12.804 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.096 -8.303 13.023 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.264 -8.416 10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.320 -9.767 10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.094 -11.265 11.737 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.337 -9.971 12.645 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.711 -9.735 9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.290 -11.329 10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.461 -9.785 10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.011 -10.298 12.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.420 -8.753 11.609 1.00 0.00 H new ATOM 69 N ARG A 3 8.947 -6.542 10.164 1.00 0.00 N ATOM 70 CA ARG A 3 8.476 -5.265 9.639 1.00 0.00 C ATOM 71 C ARG A 3 7.018 -5.019 10.029 1.00 0.00 C ATOM 72 O ARG A 3 6.153 -5.856 9.772 1.00 0.00 O ATOM 73 CB ARG A 3 8.621 -5.235 8.116 1.00 0.00 C ATOM 74 CG ARG A 3 9.120 -3.905 7.578 1.00 0.00 C ATOM 75 CD ARG A 3 10.569 -3.655 7.965 1.00 0.00 C ATOM 76 NE ARG A 3 10.818 -2.248 8.270 1.00 0.00 N ATOM 77 CZ ARG A 3 12.004 -1.657 8.138 1.00 0.00 C ATOM 78 NH1 ARG A 3 13.059 -2.347 7.721 1.00 0.00 N ATOM 79 NH2 ARG A 3 12.137 -0.371 8.430 1.00 0.00 N ATOM 0 H ARG A 3 8.894 -7.316 9.501 1.00 0.00 H new ATOM 0 HA ARG A 3 9.087 -4.473 10.073 1.00 0.00 H new ATOM 0 HB2 ARG A 3 9.309 -6.023 7.810 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.656 -5.461 7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.025 -3.892 6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.495 -3.099 7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.823 -4.265 8.832 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.222 -3.971 7.151 1.00 0.00 H new ATOM 0 HE ARG A 3 10.036 -1.684 8.604 1.00 0.00 H new ATOM 0 HH11 ARG A 3 12.965 -3.338 7.499 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.964 -1.886 7.623 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.332 0.164 8.755 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.045 0.084 8.330 1.00 0.00 H new ATOM 93 N PRO A 4 6.722 -3.865 10.657 1.00 0.00 N ATOM 94 CA PRO A 4 5.357 -3.526 11.076 1.00 0.00 C ATOM 95 C PRO A 4 4.377 -3.536 9.907 1.00 0.00 C ATOM 96 O PRO A 4 4.694 -3.064 8.816 1.00 0.00 O ATOM 97 CB PRO A 4 5.491 -2.109 11.646 1.00 0.00 C ATOM 98 CG PRO A 4 6.930 -1.974 12.005 1.00 0.00 C ATOM 99 CD PRO A 4 7.685 -2.805 11.007 1.00 0.00 C ATOM 0 HA PRO A 4 4.963 -4.248 11.791 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.195 -1.359 10.913 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.852 -1.972 12.518 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.246 -0.932 11.964 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.113 -2.323 13.021 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.976 -2.221 10.134 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.599 -3.216 11.435 1.00 0.00 H new ATOM 107 N ARG A 5 3.186 -4.077 10.142 1.00 0.00 N ATOM 108 CA ARG A 5 2.161 -4.148 9.107 1.00 0.00 C ATOM 109 C ARG A 5 0.829 -4.608 9.688 1.00 0.00 C ATOM 110 O ARG A 5 0.780 -5.191 10.771 1.00 0.00 O ATOM 111 CB ARG A 5 2.601 -5.102 7.993 1.00 0.00 C ATOM 112 CG ARG A 5 2.068 -4.723 6.621 1.00 0.00 C ATOM 113 CD ARG A 5 2.882 -5.369 5.511 1.00 0.00 C ATOM 114 NE ARG A 5 2.479 -6.753 5.270 1.00 0.00 N ATOM 115 CZ ARG A 5 1.485 -7.109 4.459 1.00 0.00 C ATOM 116 NH1 ARG A 5 0.781 -6.187 3.811 1.00 0.00 N ATOM 117 NH2 ARG A 5 1.192 -8.392 4.295 1.00 0.00 N ATOM 0 H ARG A 5 2.907 -4.473 11.040 1.00 0.00 H new ATOM 0 HA ARG A 5 2.028 -3.149 8.693 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.690 -5.127 7.956 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.268 -6.111 8.237 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.026 -5.031 6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.090 -3.639 6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.765 -4.792 4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.940 -5.340 5.773 1.00 0.00 H new ATOM 0 HE ARG A 5 2.991 -7.492 5.753 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.001 -5.198 3.933 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.021 -6.468 3.191 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.728 -9.105 4.790 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.431 -8.666 3.674 1.00 0.00 H new ATOM 131 N THR A 6 -0.251 -4.344 8.959 1.00 0.00 N ATOM 132 CA THR A 6 -1.587 -4.731 9.399 1.00 0.00 C ATOM 133 C THR A 6 -2.247 -5.651 8.376 1.00 0.00 C ATOM 134 O THR A 6 -1.889 -5.643 7.199 1.00 0.00 O ATOM 135 CB THR A 6 -2.451 -3.489 9.624 1.00 0.00 C ATOM 136 OG1 THR A 6 -3.751 -3.853 10.053 1.00 0.00 O ATOM 137 CG2 THR A 6 -2.597 -2.632 8.385 1.00 0.00 C ATOM 0 H THR A 6 -0.227 -3.863 8.060 1.00 0.00 H new ATOM 0 HA THR A 6 -1.494 -5.272 10.340 1.00 0.00 H new ATOM 0 HB THR A 6 -1.933 -2.909 10.388 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.287 -3.045 10.193 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.221 -1.768 8.612 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.614 -2.294 8.059 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.062 -3.217 7.591 1.00 0.00 H new ATOM 145 N ALA A 7 -3.210 -6.446 8.833 1.00 0.00 N ATOM 146 CA ALA A 7 -3.913 -7.375 7.956 1.00 0.00 C ATOM 147 C ALA A 7 -5.008 -6.668 7.162 1.00 0.00 C ATOM 148 O ALA A 7 -5.892 -6.032 7.734 1.00 0.00 O ATOM 149 CB ALA A 7 -4.503 -8.521 8.765 1.00 0.00 C ATOM 0 H ALA A 7 -3.521 -6.465 9.804 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.191 -7.778 7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.025 -9.207 8.097 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.703 -9.053 9.279 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.205 -8.125 9.499 1.00 0.00 H new ATOM 155 N PHE A 8 -4.942 -6.791 5.840 1.00 0.00 N ATOM 156 CA PHE A 8 -5.929 -6.170 4.962 1.00 0.00 C ATOM 157 C PHE A 8 -6.977 -7.189 4.524 1.00 0.00 C ATOM 158 O PHE A 8 -7.017 -8.309 5.035 1.00 0.00 O ATOM 159 CB PHE A 8 -5.243 -5.562 3.736 1.00 0.00 C ATOM 160 CG PHE A 8 -4.231 -4.505 4.076 1.00 0.00 C ATOM 161 CD1 PHE A 8 -2.998 -4.851 4.602 1.00 0.00 C ATOM 162 CD2 PHE A 8 -4.515 -3.164 3.869 1.00 0.00 C ATOM 163 CE1 PHE A 8 -2.065 -3.881 4.916 1.00 0.00 C ATOM 164 CE2 PHE A 8 -3.586 -2.189 4.181 1.00 0.00 C ATOM 165 CZ PHE A 8 -2.359 -2.548 4.705 1.00 0.00 C ATOM 0 H PHE A 8 -4.215 -7.315 5.353 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.428 -5.376 5.517 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.752 -6.356 3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.001 -5.131 3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.762 -5.892 4.769 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.473 -2.878 3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.107 -4.165 5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.819 -1.148 4.015 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.631 -1.788 4.949 1.00 0.00 H new ATOM 175 N SER A 9 -7.825 -6.798 3.577 1.00 0.00 N ATOM 176 CA SER A 9 -8.871 -7.681 3.076 1.00 0.00 C ATOM 177 C SER A 9 -8.653 -8.003 1.602 1.00 0.00 C ATOM 178 O SER A 9 -7.981 -7.260 0.886 1.00 0.00 O ATOM 179 CB SER A 9 -10.244 -7.037 3.269 1.00 0.00 C ATOM 180 OG SER A 9 -10.494 -6.062 2.271 1.00 0.00 O ATOM 0 H SER A 9 -7.808 -5.876 3.142 1.00 0.00 H new ATOM 0 HA SER A 9 -8.828 -8.611 3.643 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.017 -7.804 3.234 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.297 -6.575 4.255 1.00 0.00 H new ATOM 0 HG SER A 9 -11.379 -5.666 2.415 1.00 0.00 H new ATOM 186 N SER A 10 -9.228 -9.115 1.153 1.00 0.00 N ATOM 187 CA SER A 10 -9.101 -9.537 -0.238 1.00 0.00 C ATOM 188 C SER A 10 -9.516 -8.419 -1.190 1.00 0.00 C ATOM 189 O SER A 10 -8.838 -8.148 -2.181 1.00 0.00 O ATOM 190 CB SER A 10 -9.954 -10.780 -0.495 1.00 0.00 C ATOM 191 OG SER A 10 -9.667 -11.344 -1.763 1.00 0.00 O ATOM 0 H SER A 10 -9.787 -9.741 1.733 1.00 0.00 H new ATOM 0 HA SER A 10 -8.054 -9.776 -0.422 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.770 -11.519 0.285 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.010 -10.517 -0.441 1.00 0.00 H new ATOM 0 HG SER A 10 -10.225 -12.138 -1.902 1.00 0.00 H new ATOM 197 N GLU A 11 -10.637 -7.776 -0.883 1.00 0.00 N ATOM 198 CA GLU A 11 -11.147 -6.689 -1.711 1.00 0.00 C ATOM 199 C GLU A 11 -10.215 -5.483 -1.668 1.00 0.00 C ATOM 200 O GLU A 11 -10.002 -4.816 -2.682 1.00 0.00 O ATOM 201 CB GLU A 11 -12.547 -6.284 -1.250 1.00 0.00 C ATOM 202 CG GLU A 11 -13.639 -7.227 -1.727 1.00 0.00 C ATOM 203 CD GLU A 11 -15.030 -6.662 -1.516 1.00 0.00 C ATOM 204 OE1 GLU A 11 -15.514 -6.692 -0.365 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.634 -6.189 -2.501 1.00 0.00 O ATOM 0 H GLU A 11 -11.210 -7.989 -0.067 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.199 -7.045 -2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.564 -6.242 -0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.763 -5.278 -1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.494 -7.439 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.552 -8.176 -1.197 1.00 0.00 H new ATOM 212 N GLN A 12 -9.659 -5.208 -0.493 1.00 0.00 N ATOM 213 CA GLN A 12 -8.751 -4.080 -0.330 1.00 0.00 C ATOM 214 C GLN A 12 -7.466 -4.311 -1.112 1.00 0.00 C ATOM 215 O GLN A 12 -6.990 -3.425 -1.821 1.00 0.00 O ATOM 216 CB GLN A 12 -8.429 -3.861 1.149 1.00 0.00 C ATOM 217 CG GLN A 12 -9.619 -3.391 1.968 1.00 0.00 C ATOM 218 CD GLN A 12 -9.469 -3.702 3.444 1.00 0.00 C ATOM 219 OE1 GLN A 12 -8.384 -4.053 3.909 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.559 -3.576 4.190 1.00 0.00 N ATOM 0 H GLN A 12 -9.821 -5.748 0.357 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.243 -3.188 -0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.053 -4.792 1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.628 -3.126 1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.743 -2.316 1.838 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.525 -3.865 1.591 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.438 -3.282 3.763 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.518 -3.773 5.190 1.00 0.00 H new ATOM 229 N LEU A 13 -6.910 -5.510 -0.984 1.00 0.00 N ATOM 230 CA LEU A 13 -5.685 -5.853 -1.690 1.00 0.00 C ATOM 231 C LEU A 13 -5.920 -5.860 -3.193 1.00 0.00 C ATOM 232 O LEU A 13 -5.048 -5.477 -3.964 1.00 0.00 O ATOM 233 CB LEU A 13 -5.164 -7.222 -1.238 1.00 0.00 C ATOM 234 CG LEU A 13 -4.485 -7.268 0.139 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.414 -8.347 0.160 1.00 0.00 C ATOM 236 CD2 LEU A 13 -3.878 -5.920 0.506 1.00 0.00 C ATOM 0 H LEU A 13 -7.287 -6.257 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.936 -5.098 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.000 -7.922 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.454 -7.581 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.248 -7.505 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.940 -8.370 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.869 -9.316 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.664 -8.130 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.406 -5.988 1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.131 -5.643 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.662 -5.163 0.533 1.00 0.00 H new ATOM 248 N ALA A 14 -7.109 -6.292 -3.601 1.00 0.00 N ATOM 249 CA ALA A 14 -7.456 -6.341 -5.015 1.00 0.00 C ATOM 250 C ALA A 14 -7.434 -4.944 -5.622 1.00 0.00 C ATOM 251 O ALA A 14 -6.820 -4.716 -6.665 1.00 0.00 O ATOM 252 CB ALA A 14 -8.823 -6.985 -5.202 1.00 0.00 C ATOM 0 H ALA A 14 -7.846 -6.612 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.713 -6.948 -5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.069 -7.015 -6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.804 -8.000 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.576 -6.402 -4.671 1.00 0.00 H new ATOM 258 N ARG A 15 -8.099 -4.009 -4.953 1.00 0.00 N ATOM 259 CA ARG A 15 -8.149 -2.631 -5.424 1.00 0.00 C ATOM 260 C ARG A 15 -6.766 -1.994 -5.353 1.00 0.00 C ATOM 261 O ARG A 15 -6.326 -1.328 -6.290 1.00 0.00 O ATOM 262 CB ARG A 15 -9.143 -1.819 -4.596 1.00 0.00 C ATOM 263 CG ARG A 15 -9.599 -0.539 -5.278 1.00 0.00 C ATOM 264 CD ARG A 15 -10.362 0.366 -4.323 1.00 0.00 C ATOM 265 NE ARG A 15 -11.775 0.471 -4.680 1.00 0.00 N ATOM 266 CZ ARG A 15 -12.697 -0.426 -4.337 1.00 0.00 C ATOM 267 NH1 ARG A 15 -12.365 -1.488 -3.611 1.00 0.00 N ATOM 268 NH2 ARG A 15 -13.957 -0.259 -4.715 1.00 0.00 N ATOM 0 H ARG A 15 -8.609 -4.179 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.480 -2.635 -6.462 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -10.015 -2.437 -4.381 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.686 -1.568 -3.639 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.732 -0.007 -5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.233 -0.786 -6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.272 -0.020 -3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.912 1.359 -4.327 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.073 1.280 -5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.399 -1.620 -3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.077 -2.171 -3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.220 0.557 -5.268 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.664 -0.946 -4.452 1.00 0.00 H new ATOM 282 N LEU A 16 -6.083 -2.211 -4.234 1.00 0.00 N ATOM 283 CA LEU A 16 -4.746 -1.667 -4.039 1.00 0.00 C ATOM 284 C LEU A 16 -3.785 -2.221 -5.086 1.00 0.00 C ATOM 285 O LEU A 16 -2.927 -1.501 -5.599 1.00 0.00 O ATOM 286 CB LEU A 16 -4.242 -1.996 -2.631 1.00 0.00 C ATOM 287 CG LEU A 16 -4.956 -1.257 -1.498 1.00 0.00 C ATOM 288 CD1 LEU A 16 -5.075 -2.145 -0.267 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.223 0.033 -1.161 1.00 0.00 C ATOM 0 H LEU A 16 -6.434 -2.760 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.793 -0.584 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.345 -3.069 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.178 -1.766 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.962 -1.004 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.586 -1.600 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.645 -3.040 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.080 -2.432 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.744 0.547 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.205 -0.198 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.194 0.676 -2.041 1.00 0.00 H new ATOM 301 N LYS A 17 -3.940 -3.503 -5.406 1.00 0.00 N ATOM 302 CA LYS A 17 -3.092 -4.152 -6.400 1.00 0.00 C ATOM 303 C LYS A 17 -3.281 -3.508 -7.768 1.00 0.00 C ATOM 304 O LYS A 17 -2.311 -3.214 -8.467 1.00 0.00 O ATOM 305 CB LYS A 17 -3.411 -5.647 -6.487 1.00 0.00 C ATOM 306 CG LYS A 17 -2.187 -6.524 -6.701 1.00 0.00 C ATOM 307 CD LYS A 17 -2.410 -7.930 -6.167 1.00 0.00 C ATOM 308 CE LYS A 17 -1.285 -8.361 -5.237 1.00 0.00 C ATOM 309 NZ LYS A 17 -1.168 -7.468 -4.050 1.00 0.00 N ATOM 0 H LYS A 17 -4.645 -4.112 -4.991 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.054 -4.028 -6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.912 -5.956 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.112 -5.812 -7.305 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.952 -6.570 -7.764 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.326 -6.077 -6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.360 -7.971 -5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.482 -8.629 -7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.461 -9.384 -4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.342 -8.362 -5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.756 -7.998 -3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.555 -6.661 -4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.111 -7.121 -3.782 1.00 0.00 H new ATOM 323 N ARG A 18 -4.538 -3.292 -8.143 1.00 0.00 N ATOM 324 CA ARG A 18 -4.859 -2.684 -9.429 1.00 0.00 C ATOM 325 C ARG A 18 -4.251 -1.290 -9.534 1.00 0.00 C ATOM 326 O ARG A 18 -3.710 -0.913 -10.573 1.00 0.00 O ATOM 327 CB ARG A 18 -6.376 -2.610 -9.619 1.00 0.00 C ATOM 328 CG ARG A 18 -6.840 -3.086 -10.987 1.00 0.00 C ATOM 329 CD ARG A 18 -8.027 -4.030 -10.878 1.00 0.00 C ATOM 330 NE ARG A 18 -8.204 -4.829 -12.089 1.00 0.00 N ATOM 331 CZ ARG A 18 -9.323 -5.486 -12.387 1.00 0.00 C ATOM 332 NH1 ARG A 18 -10.366 -5.440 -11.568 1.00 0.00 N ATOM 333 NH2 ARG A 18 -9.399 -6.189 -13.508 1.00 0.00 N ATOM 0 H ARG A 18 -5.351 -3.529 -7.574 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.434 -3.307 -10.216 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.860 -3.212 -8.850 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.703 -1.581 -9.471 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.113 -2.226 -11.599 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.018 -3.591 -11.495 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.886 -4.692 -10.024 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.932 -3.454 -10.688 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.424 -4.887 -12.744 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.313 -4.899 -10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.221 -5.945 -11.802 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.601 -6.226 -14.142 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.256 -6.693 -13.737 1.00 0.00 H new ATOM 347 N GLU A 19 -4.338 -0.528 -8.448 1.00 0.00 N ATOM 348 CA GLU A 19 -3.791 0.822 -8.418 1.00 0.00 C ATOM 349 C GLU A 19 -2.267 0.785 -8.461 1.00 0.00 C ATOM 350 O GLU A 19 -1.630 1.624 -9.101 1.00 0.00 O ATOM 351 CB GLU A 19 -4.261 1.561 -7.162 1.00 0.00 C ATOM 352 CG GLU A 19 -5.502 2.411 -7.385 1.00 0.00 C ATOM 353 CD GLU A 19 -5.172 3.804 -7.884 1.00 0.00 C ATOM 354 OE1 GLU A 19 -4.453 3.915 -8.900 1.00 0.00 O ATOM 355 OE2 GLU A 19 -5.631 4.783 -7.259 1.00 0.00 O ATOM 0 H GLU A 19 -4.782 -0.823 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.152 1.356 -9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.466 0.833 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.454 2.199 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.153 1.916 -8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.059 2.486 -6.451 1.00 0.00 H new ATOM 362 N PHE A 20 -1.688 -0.198 -7.779 1.00 0.00 N ATOM 363 CA PHE A 20 -0.239 -0.352 -7.741 1.00 0.00 C ATOM 364 C PHE A 20 0.310 -0.647 -9.132 1.00 0.00 C ATOM 365 O PHE A 20 1.390 -0.180 -9.496 1.00 0.00 O ATOM 366 CB PHE A 20 0.149 -1.474 -6.776 1.00 0.00 C ATOM 367 CG PHE A 20 1.628 -1.569 -6.532 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.444 -2.265 -7.408 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.202 -0.962 -5.426 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.805 -2.355 -7.187 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.561 -1.048 -5.199 1.00 0.00 C ATOM 372 CZ PHE A 20 4.365 -1.745 -6.080 1.00 0.00 C ATOM 0 H PHE A 20 -2.201 -0.900 -7.245 1.00 0.00 H new ATOM 0 HA PHE A 20 0.195 0.584 -7.390 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.359 -1.316 -5.825 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.207 -2.424 -7.174 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.011 -2.743 -8.274 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.579 -0.415 -4.734 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.430 -2.901 -7.878 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.995 -0.571 -4.333 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.428 -1.813 -5.904 1.00 0.00 H new ATOM 382 N ASN A 21 -0.441 -1.423 -9.907 1.00 0.00 N ATOM 383 CA ASN A 21 -0.030 -1.779 -11.261 1.00 0.00 C ATOM 384 C ASN A 21 0.077 -0.536 -12.139 1.00 0.00 C ATOM 385 O ASN A 21 0.882 -0.489 -13.069 1.00 0.00 O ATOM 386 CB ASN A 21 -1.020 -2.771 -11.874 1.00 0.00 C ATOM 387 CG ASN A 21 -0.794 -4.188 -11.383 1.00 0.00 C ATOM 388 OD1 ASN A 21 -1.714 -4.841 -10.891 1.00 0.00 O ATOM 389 ND2 ASN A 21 0.436 -4.671 -11.513 1.00 0.00 N ATOM 0 H ASN A 21 -1.337 -1.817 -9.621 1.00 0.00 H new ATOM 0 HA ASN A 21 0.952 -2.248 -11.206 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.037 -2.463 -11.631 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.930 -2.747 -12.960 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.648 -5.618 -11.199 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.169 -4.095 -11.927 1.00 0.00 H new ATOM 396 N GLU A 22 -0.735 0.471 -11.833 1.00 0.00 N ATOM 397 CA GLU A 22 -0.726 1.717 -12.589 1.00 0.00 C ATOM 398 C GLU A 22 0.386 2.631 -12.089 1.00 0.00 C ATOM 399 O GLU A 22 0.996 3.369 -12.862 1.00 0.00 O ATOM 400 CB GLU A 22 -2.079 2.422 -12.469 1.00 0.00 C ATOM 401 CG GLU A 22 -3.264 1.518 -12.770 1.00 0.00 C ATOM 402 CD GLU A 22 -4.297 2.187 -13.656 1.00 0.00 C ATOM 403 OE1 GLU A 22 -3.924 2.663 -14.749 1.00 0.00 O ATOM 404 OE2 GLU A 22 -5.479 2.235 -13.256 1.00 0.00 O ATOM 0 H GLU A 22 -1.407 0.448 -11.066 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.544 1.484 -13.638 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.184 2.821 -11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.098 3.272 -13.151 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.909 0.609 -13.255 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.734 1.217 -11.834 1.00 0.00 H new ATOM 411 N ASN A 23 0.645 2.565 -10.789 1.00 0.00 N ATOM 412 CA ASN A 23 1.687 3.372 -10.168 1.00 0.00 C ATOM 413 C ASN A 23 2.149 2.728 -8.866 1.00 0.00 C ATOM 414 O ASN A 23 1.358 2.548 -7.943 1.00 0.00 O ATOM 415 CB ASN A 23 1.179 4.790 -9.901 1.00 0.00 C ATOM 416 CG ASN A 23 -0.046 4.807 -9.008 1.00 0.00 C ATOM 417 OD1 ASN A 23 0.040 5.120 -7.821 1.00 0.00 O ATOM 418 ND2 ASN A 23 -1.197 4.470 -9.578 1.00 0.00 N ATOM 0 H ASN A 23 0.144 1.957 -10.141 1.00 0.00 H new ATOM 0 HA ASN A 23 2.533 3.428 -10.853 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.972 5.376 -9.436 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.941 5.272 -10.849 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.056 4.464 -9.028 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.222 4.217 -10.566 1.00 0.00 H new ATOM 425 N ARG A 24 3.427 2.373 -8.802 1.00 0.00 N ATOM 426 CA ARG A 24 3.987 1.738 -7.612 1.00 0.00 C ATOM 427 C ARG A 24 4.149 2.733 -6.462 1.00 0.00 C ATOM 428 O ARG A 24 4.514 2.349 -5.350 1.00 0.00 O ATOM 429 CB ARG A 24 5.336 1.097 -7.941 1.00 0.00 C ATOM 430 CG ARG A 24 5.278 0.141 -9.122 1.00 0.00 C ATOM 431 CD ARG A 24 6.600 -0.581 -9.321 1.00 0.00 C ATOM 432 NE ARG A 24 6.565 -1.473 -10.478 1.00 0.00 N ATOM 433 CZ ARG A 24 7.527 -1.548 -11.397 1.00 0.00 C ATOM 434 NH1 ARG A 24 8.618 -0.798 -11.298 1.00 0.00 N ATOM 435 NH2 ARG A 24 7.399 -2.382 -12.420 1.00 0.00 N ATOM 0 H ARG A 24 4.096 2.513 -9.559 1.00 0.00 H new ATOM 0 HA ARG A 24 3.287 0.967 -7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.061 1.883 -8.154 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.698 0.559 -7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.484 -0.589 -8.962 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.025 0.694 -10.027 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.397 0.151 -9.451 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.838 -1.156 -8.426 1.00 0.00 H new ATOM 0 HE ARG A 24 5.751 -2.078 -10.589 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.726 -0.156 -10.513 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.348 -0.864 -12.007 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.566 -2.964 -12.502 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.134 -2.441 -13.125 1.00 0.00 H new ATOM 449 N TYR A 25 3.876 4.007 -6.728 1.00 0.00 N ATOM 450 CA TYR A 25 3.992 5.041 -5.708 1.00 0.00 C ATOM 451 C TYR A 25 2.611 5.495 -5.250 1.00 0.00 C ATOM 452 O TYR A 25 1.596 4.946 -5.680 1.00 0.00 O ATOM 453 CB TYR A 25 4.788 6.231 -6.248 1.00 0.00 C ATOM 454 CG TYR A 25 6.019 5.829 -7.030 1.00 0.00 C ATOM 455 CD1 TYR A 25 7.239 5.637 -6.393 1.00 0.00 C ATOM 456 CD2 TYR A 25 5.960 5.636 -8.404 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.364 5.265 -7.103 1.00 0.00 C ATOM 458 CE2 TYR A 25 7.081 5.264 -9.122 1.00 0.00 C ATOM 459 CZ TYR A 25 8.281 5.080 -8.467 1.00 0.00 C ATOM 460 OH TYR A 25 9.400 4.709 -9.177 1.00 0.00 O ATOM 0 H TYR A 25 3.573 4.347 -7.641 1.00 0.00 H new ATOM 0 HA TYR A 25 4.522 4.624 -4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.141 6.831 -6.888 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.088 6.866 -5.414 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.309 5.781 -5.325 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.022 5.779 -8.920 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.304 5.120 -6.592 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.018 5.118 -10.190 1.00 0.00 H new ATOM 0 HH TYR A 25 9.171 4.620 -10.126 1.00 0.00 H new ATOM 470 N LEU A 26 2.572 6.494 -4.375 1.00 0.00 N ATOM 471 CA LEU A 26 1.304 7.003 -3.869 1.00 0.00 C ATOM 472 C LEU A 26 1.387 8.492 -3.551 1.00 0.00 C ATOM 473 O LEU A 26 2.289 8.939 -2.844 1.00 0.00 O ATOM 474 CB LEU A 26 0.885 6.239 -2.607 1.00 0.00 C ATOM 475 CG LEU A 26 -0.130 5.104 -2.803 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.838 4.809 -1.493 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.154 5.447 -3.874 1.00 0.00 C ATOM 0 H LEU A 26 3.398 6.964 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 26 0.559 6.856 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.781 5.821 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.466 6.953 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 26 0.418 4.221 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.556 4.003 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.106 4.510 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.361 5.703 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.856 4.620 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.696 6.347 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.645 5.620 -4.822 1.00 0.00 H new ATOM 489 N THR A 27 0.423 9.249 -4.062 1.00 0.00 N ATOM 490 CA THR A 27 0.366 10.685 -3.819 1.00 0.00 C ATOM 491 C THR A 27 -0.526 10.975 -2.617 1.00 0.00 C ATOM 492 O THR A 27 -1.266 10.103 -2.163 1.00 0.00 O ATOM 493 CB THR A 27 -0.171 11.417 -5.049 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.580 11.287 -5.132 1.00 0.00 O ATOM 495 CG2 THR A 27 0.415 10.915 -6.351 1.00 0.00 C ATOM 0 H THR A 27 -0.331 8.891 -4.648 1.00 0.00 H new ATOM 0 HA THR A 27 1.376 11.041 -3.613 1.00 0.00 H new ATOM 0 HB THR A 27 0.124 12.458 -4.917 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.906 11.763 -5.924 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.010 11.478 -7.182 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.497 11.048 -6.338 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.180 9.857 -6.472 1.00 0.00 H new ATOM 503 N GLU A 28 -0.464 12.201 -2.108 1.00 0.00 N ATOM 504 CA GLU A 28 -1.285 12.582 -0.965 1.00 0.00 C ATOM 505 C GLU A 28 -2.759 12.336 -1.269 1.00 0.00 C ATOM 506 O GLU A 28 -3.465 11.686 -0.497 1.00 0.00 O ATOM 507 CB GLU A 28 -1.060 14.053 -0.613 1.00 0.00 C ATOM 508 CG GLU A 28 -1.620 14.444 0.746 1.00 0.00 C ATOM 509 CD GLU A 28 -2.759 15.440 0.645 1.00 0.00 C ATOM 510 OE1 GLU A 28 -2.675 16.353 -0.204 1.00 0.00 O ATOM 511 OE2 GLU A 28 -3.735 15.307 1.413 1.00 0.00 O ATOM 0 H GLU A 28 0.140 12.941 -2.465 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.994 11.970 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.009 14.263 -0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.520 14.676 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.970 13.549 1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.822 14.871 1.354 1.00 0.00 H new ATOM 518 N ARG A 29 -3.211 12.854 -2.406 1.00 0.00 N ATOM 519 CA ARG A 29 -4.596 12.686 -2.830 1.00 0.00 C ATOM 520 C ARG A 29 -4.940 11.211 -3.008 1.00 0.00 C ATOM 521 O ARG A 29 -6.054 10.783 -2.708 1.00 0.00 O ATOM 522 CB ARG A 29 -4.849 13.438 -4.138 1.00 0.00 C ATOM 523 CG ARG A 29 -6.289 13.886 -4.312 1.00 0.00 C ATOM 524 CD ARG A 29 -6.520 15.259 -3.704 1.00 0.00 C ATOM 525 NE ARG A 29 -5.590 16.252 -4.241 1.00 0.00 N ATOM 526 CZ ARG A 29 -5.006 17.202 -3.511 1.00 0.00 C ATOM 527 NH1 ARG A 29 -5.260 17.309 -2.212 1.00 0.00 N ATOM 528 NH2 ARG A 29 -4.166 18.052 -4.084 1.00 0.00 N ATOM 0 H ARG A 29 -2.636 13.395 -3.052 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.236 13.099 -2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.198 14.311 -4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.573 12.797 -4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.539 13.910 -5.373 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.956 13.162 -3.844 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.544 15.576 -3.900 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.406 15.202 -2.622 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.375 16.215 -5.237 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.907 16.661 -1.764 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.808 18.040 -1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.968 17.978 -5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.718 18.780 -3.527 1.00 0.00 H new ATOM 542 N ARG A 30 -3.978 10.437 -3.504 1.00 0.00 N ATOM 543 CA ARG A 30 -4.183 9.014 -3.726 1.00 0.00 C ATOM 544 C ARG A 30 -4.360 8.279 -2.406 1.00 0.00 C ATOM 545 O ARG A 30 -5.261 7.455 -2.255 1.00 0.00 O ATOM 546 CB ARG A 30 -2.998 8.428 -4.494 1.00 0.00 C ATOM 547 CG ARG A 30 -3.402 7.432 -5.571 1.00 0.00 C ATOM 548 CD ARG A 30 -2.935 7.875 -6.949 1.00 0.00 C ATOM 549 NE ARG A 30 -3.328 9.252 -7.245 1.00 0.00 N ATOM 550 CZ ARG A 30 -3.500 9.727 -8.476 1.00 0.00 C ATOM 551 NH1 ARG A 30 -3.315 8.945 -9.533 1.00 0.00 N ATOM 552 NH2 ARG A 30 -3.857 10.992 -8.653 1.00 0.00 N ATOM 0 H ARG A 30 -3.050 10.774 -3.759 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.092 8.887 -4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.437 9.241 -4.955 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.327 7.936 -3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.979 6.454 -5.340 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.486 7.318 -5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.850 7.787 -7.010 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.352 7.209 -7.704 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.479 9.886 -6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.039 7.971 -9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.449 9.318 -10.473 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.999 11.599 -7.846 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.989 11.357 -9.596 1.00 0.00 H new ATOM 566 N ARG A 31 -3.489 8.584 -1.452 1.00 0.00 N ATOM 567 CA ARG A 31 -3.538 7.956 -0.140 1.00 0.00 C ATOM 568 C ARG A 31 -4.857 8.260 0.564 1.00 0.00 C ATOM 569 O ARG A 31 -5.569 7.352 0.993 1.00 0.00 O ATOM 570 CB ARG A 31 -2.369 8.443 0.714 1.00 0.00 C ATOM 571 CG ARG A 31 -2.023 7.514 1.865 1.00 0.00 C ATOM 572 CD ARG A 31 -0.611 7.762 2.365 1.00 0.00 C ATOM 573 NE ARG A 31 -0.406 9.155 2.758 1.00 0.00 N ATOM 574 CZ ARG A 31 0.583 9.926 2.305 1.00 0.00 C ATOM 575 NH1 ARG A 31 1.467 9.454 1.433 1.00 0.00 N ATOM 576 NH2 ARG A 31 0.688 11.179 2.726 1.00 0.00 N ATOM 0 H ARG A 31 -2.738 9.265 -1.564 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.464 6.877 -0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.491 8.562 0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.609 9.428 1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.731 7.661 2.680 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.120 6.478 1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.408 7.112 3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.102 7.497 1.584 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.063 9.564 3.423 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.394 8.492 1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.219 10.054 1.094 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.013 11.551 3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.444 11.771 2.381 1.00 0.00 H new ATOM 590 N GLN A 32 -5.174 9.547 0.684 1.00 0.00 N ATOM 591 CA GLN A 32 -6.404 9.977 1.340 1.00 0.00 C ATOM 592 C GLN A 32 -7.630 9.411 0.630 1.00 0.00 C ATOM 593 O GLN A 32 -8.597 8.994 1.270 1.00 0.00 O ATOM 594 CB GLN A 32 -6.480 11.504 1.374 1.00 0.00 C ATOM 595 CG GLN A 32 -7.625 12.039 2.218 1.00 0.00 C ATOM 596 CD GLN A 32 -7.796 13.539 2.082 1.00 0.00 C ATOM 597 OE1 GLN A 32 -7.554 14.292 3.025 1.00 0.00 O ATOM 598 NE2 GLN A 32 -8.218 13.982 0.903 1.00 0.00 N ATOM 0 H GLN A 32 -4.595 10.310 0.335 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.392 9.596 2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.540 11.897 1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.586 11.877 0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.550 11.543 1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.448 11.790 3.264 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.407 13.322 0.148 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.353 14.982 0.752 1.00 0.00 H new ATOM 607 N GLN A 33 -7.583 9.396 -0.698 1.00 0.00 N ATOM 608 CA GLN A 33 -8.690 8.878 -1.491 1.00 0.00 C ATOM 609 C GLN A 33 -8.840 7.378 -1.277 1.00 0.00 C ATOM 610 O GLN A 33 -9.938 6.883 -1.026 1.00 0.00 O ATOM 611 CB GLN A 33 -8.473 9.179 -2.975 1.00 0.00 C ATOM 612 CG GLN A 33 -8.708 10.637 -3.338 1.00 0.00 C ATOM 613 CD GLN A 33 -10.177 10.964 -3.520 1.00 0.00 C ATOM 614 OE1 GLN A 33 -10.773 11.670 -2.708 1.00 0.00 O ATOM 615 NE2 GLN A 33 -10.769 10.449 -4.592 1.00 0.00 N ATOM 0 H GLN A 33 -6.792 9.736 -1.246 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.606 9.372 -1.166 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.454 8.904 -3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.141 8.553 -3.566 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.292 11.273 -2.557 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.171 10.869 -4.258 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.236 9.869 -5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.757 10.634 -4.768 1.00 0.00 H new ATOM 624 N LEU A 34 -7.724 6.660 -1.360 1.00 0.00 N ATOM 625 CA LEU A 34 -7.731 5.217 -1.158 1.00 0.00 C ATOM 626 C LEU A 34 -8.190 4.887 0.257 1.00 0.00 C ATOM 627 O LEU A 34 -8.874 3.889 0.486 1.00 0.00 O ATOM 628 CB LEU A 34 -6.334 4.636 -1.402 1.00 0.00 C ATOM 629 CG LEU A 34 -6.174 3.853 -2.706 1.00 0.00 C ATOM 630 CD1 LEU A 34 -6.394 4.761 -3.905 1.00 0.00 C ATOM 631 CD2 LEU A 34 -4.799 3.205 -2.770 1.00 0.00 C ATOM 0 H LEU A 34 -6.806 7.054 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.426 4.771 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.612 5.453 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.080 3.980 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.928 3.066 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.276 4.186 -4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.400 5.179 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.664 5.570 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.701 2.652 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.031 3.977 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.679 2.522 -1.929 1.00 0.00 H new ATOM 643 N SER A 35 -7.810 5.741 1.201 1.00 0.00 N ATOM 644 CA SER A 35 -8.180 5.558 2.597 1.00 0.00 C ATOM 645 C SER A 35 -9.694 5.574 2.751 1.00 0.00 C ATOM 646 O SER A 35 -10.280 4.675 3.351 1.00 0.00 O ATOM 647 CB SER A 35 -7.551 6.657 3.457 1.00 0.00 C ATOM 648 OG SER A 35 -8.344 7.832 3.448 1.00 0.00 O ATOM 0 H SER A 35 -7.243 6.570 1.022 1.00 0.00 H new ATOM 0 HA SER A 35 -7.807 4.590 2.932 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.436 6.300 4.481 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.552 6.886 3.085 1.00 0.00 H new ATOM 0 HG SER A 35 -8.384 8.193 2.538 1.00 0.00 H new ATOM 654 N SER A 36 -10.315 6.609 2.202 1.00 0.00 N ATOM 655 CA SER A 36 -11.765 6.759 2.270 1.00 0.00 C ATOM 656 C SER A 36 -12.476 5.713 1.411 1.00 0.00 C ATOM 657 O SER A 36 -13.545 5.222 1.774 1.00 0.00 O ATOM 658 CB SER A 36 -12.171 8.163 1.820 1.00 0.00 C ATOM 659 OG SER A 36 -13.301 8.624 2.540 1.00 0.00 O ATOM 0 H SER A 36 -9.837 7.360 1.703 1.00 0.00 H new ATOM 0 HA SER A 36 -12.067 6.608 3.306 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.338 8.850 1.967 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.394 8.156 0.753 1.00 0.00 H new ATOM 0 HG SER A 36 -13.539 9.524 2.234 1.00 0.00 H new ATOM 665 N GLU A 37 -11.885 5.394 0.263 1.00 0.00 N ATOM 666 CA GLU A 37 -12.471 4.424 -0.661 1.00 0.00 C ATOM 667 C GLU A 37 -12.480 3.011 -0.080 1.00 0.00 C ATOM 668 O GLU A 37 -13.502 2.325 -0.118 1.00 0.00 O ATOM 669 CB GLU A 37 -11.708 4.435 -1.990 1.00 0.00 C ATOM 670 CG GLU A 37 -12.521 4.983 -3.152 1.00 0.00 C ATOM 671 CD GLU A 37 -11.662 5.323 -4.355 1.00 0.00 C ATOM 672 OE1 GLU A 37 -10.682 6.080 -4.189 1.00 0.00 O ATOM 673 OE2 GLU A 37 -11.971 4.834 -5.462 1.00 0.00 O ATOM 0 H GLU A 37 -11.000 5.793 -0.051 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.507 4.719 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.804 5.033 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.391 3.419 -2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.273 4.249 -3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.056 5.876 -2.828 1.00 0.00 H new ATOM 680 N LEU A 38 -11.339 2.572 0.440 1.00 0.00 N ATOM 681 CA LEU A 38 -11.226 1.231 1.005 1.00 0.00 C ATOM 682 C LEU A 38 -11.681 1.197 2.461 1.00 0.00 C ATOM 683 O LEU A 38 -12.151 0.170 2.950 1.00 0.00 O ATOM 684 CB LEU A 38 -9.785 0.731 0.896 1.00 0.00 C ATOM 685 CG LEU A 38 -9.360 0.290 -0.507 1.00 0.00 C ATOM 686 CD1 LEU A 38 -7.878 -0.053 -0.535 1.00 0.00 C ATOM 687 CD2 LEU A 38 -10.196 -0.896 -0.965 1.00 0.00 C ATOM 0 H LEU A 38 -10.481 3.123 0.482 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.880 0.573 0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.115 1.523 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.654 -0.108 1.580 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.530 1.117 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.595 -0.364 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.296 0.823 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.679 -0.864 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.882 -1.198 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.057 -1.728 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.248 -0.613 -0.985 1.00 0.00 H new ATOM 699 N GLY A 39 -11.538 2.322 3.151 1.00 0.00 N ATOM 700 CA GLY A 39 -11.942 2.394 4.543 1.00 0.00 C ATOM 701 C GLY A 39 -10.800 2.096 5.496 1.00 0.00 C ATOM 702 O GLY A 39 -11.009 1.518 6.563 1.00 0.00 O ATOM 0 H GLY A 39 -11.150 3.186 2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.336 3.389 4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.752 1.687 4.720 1.00 0.00 H new ATOM 706 N LEU A 40 -9.592 2.491 5.112 1.00 0.00 N ATOM 707 CA LEU A 40 -8.412 2.266 5.940 1.00 0.00 C ATOM 708 C LEU A 40 -7.688 3.580 6.213 1.00 0.00 C ATOM 709 O LEU A 40 -8.059 4.623 5.678 1.00 0.00 O ATOM 710 CB LEU A 40 -7.465 1.276 5.260 1.00 0.00 C ATOM 711 CG LEU A 40 -8.024 -0.142 5.095 1.00 0.00 C ATOM 712 CD1 LEU A 40 -8.059 -0.545 3.626 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.204 -1.138 5.903 1.00 0.00 C ATOM 0 H LEU A 40 -9.403 2.969 4.231 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.738 1.845 6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.202 1.664 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.542 1.222 5.838 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.046 -0.149 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.459 -1.555 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.694 0.148 3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.049 -0.517 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.616 -2.139 5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.170 -1.124 5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.238 -0.866 6.958 1.00 0.00 H new ATOM 725 N ASN A 41 -6.660 3.526 7.053 1.00 0.00 N ATOM 726 CA ASN A 41 -5.891 4.718 7.395 1.00 0.00 C ATOM 727 C ASN A 41 -4.833 5.015 6.335 1.00 0.00 C ATOM 728 O ASN A 41 -4.206 4.104 5.793 1.00 0.00 O ATOM 729 CB ASN A 41 -5.229 4.549 8.765 1.00 0.00 C ATOM 730 CG ASN A 41 -5.711 5.578 9.770 1.00 0.00 C ATOM 731 OD1 ASN A 41 -4.915 6.168 10.501 1.00 0.00 O ATOM 732 ND2 ASN A 41 -7.020 5.800 9.809 1.00 0.00 N ATOM 0 H ASN A 41 -6.340 2.672 7.509 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.580 5.562 7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.437 3.549 9.145 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.148 4.630 8.656 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.402 6.483 10.463 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.643 5.288 9.184 1.00 0.00 H new ATOM 739 N GLU A 42 -4.638 6.300 6.049 1.00 0.00 N ATOM 740 CA GLU A 42 -3.654 6.726 5.057 1.00 0.00 C ATOM 741 C GLU A 42 -2.294 6.092 5.333 1.00 0.00 C ATOM 742 O GLU A 42 -1.605 5.650 4.413 1.00 0.00 O ATOM 743 CB GLU A 42 -3.524 8.251 5.059 1.00 0.00 C ATOM 744 CG GLU A 42 -4.709 8.964 4.427 1.00 0.00 C ATOM 745 CD GLU A 42 -5.635 9.579 5.458 1.00 0.00 C ATOM 746 OE1 GLU A 42 -6.199 8.822 6.277 1.00 0.00 O ATOM 747 OE2 GLU A 42 -5.797 10.817 5.447 1.00 0.00 O ATOM 0 H GLU A 42 -5.149 7.065 6.490 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.999 6.397 4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.409 8.596 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.616 8.531 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.345 9.745 3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.270 8.257 3.815 1.00 0.00 H new ATOM 754 N ALA A 43 -1.916 6.048 6.606 1.00 0.00 N ATOM 755 CA ALA A 43 -0.641 5.467 7.004 1.00 0.00 C ATOM 756 C ALA A 43 -0.579 3.985 6.651 1.00 0.00 C ATOM 757 O ALA A 43 0.480 3.465 6.294 1.00 0.00 O ATOM 758 CB ALA A 43 -0.414 5.663 8.496 1.00 0.00 C ATOM 0 H ALA A 43 -2.475 6.408 7.379 1.00 0.00 H new ATOM 0 HA ALA A 43 0.149 5.979 6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.543 5.224 8.779 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.406 6.728 8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.215 5.177 9.053 1.00 0.00 H new ATOM 764 N GLN A 44 -1.719 3.308 6.746 1.00 0.00 N ATOM 765 CA GLN A 44 -1.785 1.887 6.434 1.00 0.00 C ATOM 766 C GLN A 44 -1.586 1.659 4.942 1.00 0.00 C ATOM 767 O GLN A 44 -0.868 0.745 4.534 1.00 0.00 O ATOM 768 CB GLN A 44 -3.126 1.304 6.883 1.00 0.00 C ATOM 769 CG GLN A 44 -3.421 1.524 8.358 1.00 0.00 C ATOM 770 CD GLN A 44 -4.717 0.874 8.797 1.00 0.00 C ATOM 771 OE1 GLN A 44 -5.214 -0.049 8.151 1.00 0.00 O ATOM 772 NE2 GLN A 44 -5.273 1.354 9.904 1.00 0.00 N ATOM 0 H GLN A 44 -2.606 3.720 7.036 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.985 1.379 6.973 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.924 1.752 6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.136 0.234 6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.599 1.125 8.952 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.469 2.594 8.559 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.827 2.120 10.408 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.146 0.956 10.250 1.00 0.00 H new ATOM 781 N ILE A 45 -2.210 2.504 4.131 1.00 0.00 N ATOM 782 CA ILE A 45 -2.079 2.395 2.685 1.00 0.00 C ATOM 783 C ILE A 45 -0.647 2.696 2.263 1.00 0.00 C ATOM 784 O ILE A 45 -0.086 2.021 1.400 1.00 0.00 O ATOM 785 CB ILE A 45 -3.034 3.353 1.952 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.455 3.216 2.503 1.00 0.00 C ATOM 787 CG2 ILE A 45 -3.013 3.077 0.456 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.175 4.538 2.645 1.00 0.00 C ATOM 0 H ILE A 45 -2.808 3.267 4.448 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.341 1.373 2.411 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.697 4.376 2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.031 2.566 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.414 2.727 3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.693 3.762 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.002 3.221 0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.328 2.050 0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.176 4.366 3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.621 5.183 3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.248 5.019 1.670 1.00 0.00 H new ATOM 800 N LYS A 46 -0.055 3.710 2.891 1.00 0.00 N ATOM 801 CA LYS A 46 1.319 4.095 2.595 1.00 0.00 C ATOM 802 C LYS A 46 2.263 2.924 2.846 1.00 0.00 C ATOM 803 O LYS A 46 3.134 2.628 2.029 1.00 0.00 O ATOM 804 CB LYS A 46 1.735 5.297 3.448 1.00 0.00 C ATOM 805 CG LYS A 46 2.444 6.388 2.658 1.00 0.00 C ATOM 806 CD LYS A 46 3.714 6.850 3.353 1.00 0.00 C ATOM 807 CE LYS A 46 3.423 7.925 4.388 1.00 0.00 C ATOM 808 NZ LYS A 46 3.632 9.297 3.845 1.00 0.00 N ATOM 0 H LYS A 46 -0.507 4.278 3.607 1.00 0.00 H new ATOM 0 HA LYS A 46 1.378 4.376 1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.849 5.720 3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.391 4.955 4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.688 6.016 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.772 7.236 2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.196 6.000 3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.415 7.236 2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.394 7.825 4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.067 7.777 5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.491 9.709 4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.739 9.249 2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.813 9.892 4.081 1.00 0.00 H new ATOM 822 N ILE A 47 2.078 2.257 3.983 1.00 0.00 N ATOM 823 CA ILE A 47 2.908 1.115 4.338 1.00 0.00 C ATOM 824 C ILE A 47 2.730 -0.019 3.334 1.00 0.00 C ATOM 825 O ILE A 47 3.698 -0.668 2.944 1.00 0.00 O ATOM 826 CB ILE A 47 2.584 0.590 5.752 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.736 1.709 6.783 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.487 -0.583 6.110 1.00 0.00 C ATOM 829 CD1 ILE A 47 1.837 1.544 7.989 1.00 0.00 C ATOM 0 H ILE A 47 1.362 2.489 4.671 1.00 0.00 H new ATOM 0 HA ILE A 47 3.942 1.460 4.321 1.00 0.00 H new ATOM 0 HB ILE A 47 1.550 0.244 5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.773 1.748 7.115 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.519 2.664 6.305 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.242 -0.938 7.111 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.338 -1.389 5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.528 -0.262 6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.997 2.373 8.679 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.795 1.536 7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.070 0.605 8.490 1.00 0.00 H new ATOM 841 N TRP A 48 1.489 -0.253 2.915 1.00 0.00 N ATOM 842 CA TRP A 48 1.201 -1.314 1.957 1.00 0.00 C ATOM 843 C TRP A 48 1.947 -1.077 0.652 1.00 0.00 C ATOM 844 O TRP A 48 2.583 -1.984 0.117 1.00 0.00 O ATOM 845 CB TRP A 48 -0.300 -1.405 1.679 1.00 0.00 C ATOM 846 CG TRP A 48 -0.662 -2.554 0.788 1.00 0.00 C ATOM 847 CD1 TRP A 48 -0.944 -3.832 1.176 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.771 -2.534 -0.642 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.221 -4.609 0.079 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.124 -3.837 -1.049 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.607 -1.545 -1.620 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.314 -4.174 -2.387 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.797 -1.883 -2.947 1.00 0.00 C ATOM 854 CH2 TRP A 48 -1.147 -3.187 -3.320 1.00 0.00 C ATOM 0 H TRP A 48 0.672 0.275 3.222 1.00 0.00 H new ATOM 0 HA TRP A 48 1.536 -2.255 2.394 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.834 -1.503 2.624 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.636 -0.476 1.219 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.949 -4.181 2.198 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.460 -5.600 0.100 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.337 -0.537 -1.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.584 -5.179 -2.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.673 -1.128 -3.710 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.288 -3.418 -4.366 1.00 0.00 H new ATOM 865 N PHE A 49 1.869 0.147 0.148 1.00 0.00 N ATOM 866 CA PHE A 49 2.541 0.502 -1.093 1.00 0.00 C ATOM 867 C PHE A 49 4.052 0.387 -0.934 1.00 0.00 C ATOM 868 O PHE A 49 4.736 -0.178 -1.787 1.00 0.00 O ATOM 869 CB PHE A 49 2.159 1.921 -1.513 1.00 0.00 C ATOM 870 CG PHE A 49 1.130 1.960 -2.602 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.223 1.917 -2.300 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.513 2.038 -3.930 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.172 1.952 -3.303 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.568 2.073 -4.937 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.776 2.030 -4.623 1.00 0.00 C ATOM 0 H PHE A 49 1.347 0.910 0.580 1.00 0.00 H new ATOM 0 HA PHE A 49 2.222 -0.192 -1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.780 2.460 -0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.053 2.446 -1.849 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.538 1.855 -1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.563 2.072 -4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.223 1.918 -3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.880 2.134 -5.969 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.516 2.057 -5.409 1.00 0.00 H new ATOM 885 N GLN A 50 4.566 0.921 0.168 1.00 0.00 N ATOM 886 CA GLN A 50 5.996 0.871 0.443 1.00 0.00 C ATOM 887 C GLN A 50 6.461 -0.573 0.604 1.00 0.00 C ATOM 888 O GLN A 50 7.531 -0.948 0.128 1.00 0.00 O ATOM 889 CB GLN A 50 6.324 1.673 1.703 1.00 0.00 C ATOM 890 CG GLN A 50 6.791 3.092 1.415 1.00 0.00 C ATOM 891 CD GLN A 50 8.175 3.375 1.968 1.00 0.00 C ATOM 892 OE1 GLN A 50 9.016 3.966 1.291 1.00 0.00 O ATOM 893 NE2 GLN A 50 8.417 2.952 3.203 1.00 0.00 N ATOM 0 H GLN A 50 4.014 1.393 0.884 1.00 0.00 H new ATOM 0 HA GLN A 50 6.523 1.313 -0.402 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.440 1.712 2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.099 1.151 2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.793 3.258 0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.081 3.798 1.845 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.689 2.466 3.727 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.330 3.113 3.627 1.00 0.00 H new ATOM 902 N ASN A 51 5.644 -1.380 1.278 1.00 0.00 N ATOM 903 CA ASN A 51 5.971 -2.785 1.499 1.00 0.00 C ATOM 904 C ASN A 51 5.883 -3.572 0.196 1.00 0.00 C ATOM 905 O ASN A 51 6.676 -4.481 -0.044 1.00 0.00 O ATOM 906 CB ASN A 51 5.035 -3.397 2.544 1.00 0.00 C ATOM 907 CG ASN A 51 5.777 -4.242 3.559 1.00 0.00 C ATOM 908 OD1 ASN A 51 5.527 -5.440 3.690 1.00 0.00 O ATOM 909 ND2 ASN A 51 6.697 -3.619 4.288 1.00 0.00 N ATOM 0 H ASN A 51 4.754 -1.085 1.679 1.00 0.00 H new ATOM 0 HA ASN A 51 6.995 -2.839 1.869 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.500 -2.600 3.060 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.286 -4.010 2.043 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.228 -4.136 4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.872 -2.624 4.146 1.00 0.00 H new ATOM 916 N LYS A 52 4.915 -3.215 -0.642 1.00 0.00 N ATOM 917 CA LYS A 52 4.729 -3.889 -1.921 1.00 0.00 C ATOM 918 C LYS A 52 5.914 -3.627 -2.843 1.00 0.00 C ATOM 919 O LYS A 52 6.389 -4.529 -3.532 1.00 0.00 O ATOM 920 CB LYS A 52 3.432 -3.423 -2.589 1.00 0.00 C ATOM 921 CG LYS A 52 2.552 -4.565 -3.072 1.00 0.00 C ATOM 922 CD LYS A 52 2.692 -4.779 -4.571 1.00 0.00 C ATOM 923 CE LYS A 52 2.596 -6.252 -4.934 1.00 0.00 C ATOM 924 NZ LYS A 52 2.914 -6.492 -6.369 1.00 0.00 N ATOM 0 H LYS A 52 4.249 -2.465 -0.459 1.00 0.00 H new ATOM 0 HA LYS A 52 4.662 -4.961 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.868 -2.814 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.679 -2.782 -3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.821 -5.481 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.511 -4.352 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.914 -4.223 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.649 -4.381 -4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.281 -6.825 -4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.591 -6.614 -4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.707 -7.482 -6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.336 -5.863 -6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.922 -6.298 -6.538 1.00 0.00 H new ATOM 938 N ARG A 53 6.391 -2.387 -2.842 1.00 0.00 N ATOM 939 CA ARG A 53 7.528 -2.006 -3.673 1.00 0.00 C ATOM 940 C ARG A 53 8.784 -2.747 -3.230 1.00 0.00 C ATOM 941 O ARG A 53 9.608 -3.145 -4.054 1.00 0.00 O ATOM 942 CB ARG A 53 7.754 -0.494 -3.601 1.00 0.00 C ATOM 943 CG ARG A 53 7.807 0.179 -4.962 1.00 0.00 C ATOM 944 CD ARG A 53 8.150 1.655 -4.837 1.00 0.00 C ATOM 945 NE ARG A 53 7.300 2.330 -3.858 1.00 0.00 N ATOM 946 CZ ARG A 53 7.659 3.425 -3.190 1.00 0.00 C ATOM 947 NH1 ARG A 53 8.846 3.982 -3.398 1.00 0.00 N ATOM 948 NH2 ARG A 53 6.826 3.968 -2.314 1.00 0.00 N ATOM 0 H ARG A 53 6.009 -1.629 -2.276 1.00 0.00 H new ATOM 0 HA ARG A 53 7.309 -2.280 -4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.954 -0.043 -3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.687 -0.299 -3.072 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.550 -0.317 -5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.845 0.068 -5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.195 1.762 -4.546 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.039 2.137 -5.808 1.00 0.00 H new ATOM 0 HE ARG A 53 6.376 1.939 -3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.491 3.571 -4.073 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.113 4.820 -2.882 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.911 3.547 -2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.100 4.807 -1.802 1.00 0.00 H new ATOM 962 N ALA A 54 8.921 -2.934 -1.921 1.00 0.00 N ATOM 963 CA ALA A 54 10.071 -3.631 -1.364 1.00 0.00 C ATOM 964 C ALA A 54 10.077 -5.101 -1.776 1.00 0.00 C ATOM 965 O ALA A 54 11.118 -5.758 -1.748 1.00 0.00 O ATOM 966 CB ALA A 54 10.081 -3.507 0.152 1.00 0.00 C ATOM 0 H ALA A 54 8.247 -2.611 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 54 10.973 -3.165 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.947 -4.033 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.134 -2.455 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.169 -3.944 0.559 1.00 0.00 H new ATOM 972 N LYS A 55 8.911 -5.611 -2.162 1.00 0.00 N ATOM 973 CA LYS A 55 8.787 -7.003 -2.580 1.00 0.00 C ATOM 974 C LYS A 55 9.390 -7.206 -3.966 1.00 0.00 C ATOM 975 O LYS A 55 10.014 -8.233 -4.237 1.00 0.00 O ATOM 976 CB LYS A 55 7.318 -7.428 -2.585 1.00 0.00 C ATOM 977 CG LYS A 55 6.607 -7.178 -1.265 1.00 0.00 C ATOM 978 CD LYS A 55 5.569 -8.251 -0.976 1.00 0.00 C ATOM 979 CE LYS A 55 4.155 -7.724 -1.164 1.00 0.00 C ATOM 980 NZ LYS A 55 3.162 -8.827 -1.285 1.00 0.00 N ATOM 0 H LYS A 55 8.040 -5.082 -2.194 1.00 0.00 H new ATOM 0 HA LYS A 55 9.334 -7.621 -1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.796 -6.891 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.256 -8.489 -2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.338 -7.151 -0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.124 -6.201 -1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.732 -9.103 -1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.691 -8.611 0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.890 -7.088 -0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.116 -7.101 -2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.211 -8.426 -1.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.400 -9.420 -2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.181 -9.407 -0.422 1.00 0.00 H new ATOM 994 N ILE A 56 9.202 -6.223 -4.838 1.00 0.00 N ATOM 995 CA ILE A 56 9.730 -6.293 -6.195 1.00 0.00 C ATOM 996 C ILE A 56 11.172 -5.803 -6.244 1.00 0.00 C ATOM 997 O ILE A 56 12.057 -6.493 -6.750 1.00 0.00 O ATOM 998 CB ILE A 56 8.885 -5.457 -7.176 1.00 0.00 C ATOM 999 CG1 ILE A 56 7.398 -5.778 -7.013 1.00 0.00 C ATOM 1000 CG2 ILE A 56 9.332 -5.710 -8.608 1.00 0.00 C ATOM 1001 CD1 ILE A 56 6.489 -4.614 -7.343 1.00 0.00 C ATOM 0 H ILE A 56 8.687 -5.367 -4.630 1.00 0.00 H new ATOM 0 HA ILE A 56 9.689 -7.340 -6.496 1.00 0.00 H new ATOM 0 HB ILE A 56 9.034 -4.402 -6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.144 -6.621 -7.656 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.213 -6.093 -5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.726 -5.113 -9.289 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.380 -5.432 -8.716 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.210 -6.767 -8.846 1.00 0.00 H new ATOM 0 HD11 ILE A 56 5.450 -4.913 -7.205 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.716 -3.777 -6.683 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.646 -4.312 -8.379 1.00 0.00 H new ATOM 1013 N LYS A 57 11.402 -4.606 -5.714 1.00 0.00 N ATOM 1014 CA LYS A 57 12.736 -4.020 -5.695 1.00 0.00 C ATOM 1015 C LYS A 57 13.262 -3.817 -7.113 1.00 0.00 C ATOM 1016 O LYS A 57 12.657 -4.277 -8.081 1.00 0.00 O ATOM 1017 CB LYS A 57 13.698 -4.908 -4.903 1.00 0.00 C ATOM 1018 CG LYS A 57 14.630 -4.130 -3.988 1.00 0.00 C ATOM 1019 CD LYS A 57 15.295 -5.037 -2.967 1.00 0.00 C ATOM 1020 CE LYS A 57 16.265 -4.267 -2.085 1.00 0.00 C ATOM 1021 NZ LYS A 57 17.517 -5.031 -1.836 1.00 0.00 N ATOM 0 H LYS A 57 10.680 -4.023 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 57 12.670 -3.047 -5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.120 -5.613 -4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 57 14.294 -5.496 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 57 15.394 -3.631 -4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.068 -3.351 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.533 -5.508 -2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.827 -5.837 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 57 16.509 -3.316 -2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 57 15.786 -4.036 -1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 18.151 -4.471 -1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.288 -5.928 -1.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.989 -5.229 -2.741 1.00 0.00 H new ATOM 1035 N LYS A 58 14.390 -3.124 -7.227 1.00 0.00 N ATOM 1036 CA LYS A 58 14.997 -2.859 -8.525 1.00 0.00 C ATOM 1037 C LYS A 58 16.247 -3.711 -8.731 1.00 0.00 C ATOM 1038 O LYS A 58 16.621 -4.017 -9.863 1.00 0.00 O ATOM 1039 CB LYS A 58 15.350 -1.376 -8.652 1.00 0.00 C ATOM 1040 CG LYS A 58 16.286 -0.877 -7.563 1.00 0.00 C ATOM 1041 CD LYS A 58 15.515 -0.370 -6.353 1.00 0.00 C ATOM 1042 CE LYS A 58 16.166 -0.813 -5.053 1.00 0.00 C ATOM 1043 NZ LYS A 58 15.378 -0.390 -3.861 1.00 0.00 N ATOM 0 H LYS A 58 14.902 -2.736 -6.435 1.00 0.00 H new ATOM 0 HA LYS A 58 14.272 -3.122 -9.295 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.812 -1.203 -9.624 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.432 -0.789 -8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.954 -1.683 -7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.912 -0.077 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.463 0.718 -6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.490 -0.739 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.271 -1.898 -5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.171 -0.395 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.857 -0.712 -2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.299 0.647 -3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.427 -0.809 -3.907 1.00 0.00 H new ATOM 1057 N SER A 59 16.888 -4.091 -7.629 1.00 0.00 N ATOM 1058 CA SER A 59 18.095 -4.907 -7.693 1.00 0.00 C ATOM 1059 C SER A 59 18.123 -5.926 -6.558 1.00 0.00 C ATOM 1060 O SER A 59 19.146 -6.628 -6.418 1.00 0.00 O ATOM 1061 CB SER A 59 19.340 -4.020 -7.628 1.00 0.00 C ATOM 1062 OG SER A 59 19.675 -3.516 -8.909 1.00 0.00 O ATOM 1063 OXT SER A 59 17.120 -6.012 -5.817 1.00 0.00 O ATOM 0 H SER A 59 16.592 -3.847 -6.684 1.00 0.00 H new ATOM 0 HA SER A 59 18.090 -5.445 -8.641 1.00 0.00 H new ATOM 0 HB2 SER A 59 19.164 -3.191 -6.942 1.00 0.00 H new ATOM 0 HB3 SER A 59 20.177 -4.592 -7.229 1.00 0.00 H new ATOM 0 HG SER A 59 18.884 -3.540 -9.487 1.00 0.00 H new TER 1069 SER A 59