USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 562 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 11 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ILE N :NH3+ -153:sc= -0.162 (180deg=-0.568) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -115:sc= 0.0118 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0524 F(o=-3.2!,f=-0.052) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0975 X(o=-0.097,f=-0.42) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -56:sc= 0.0199 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -168:sc=-0.00996 (180deg=-0.201) USER MOD Single : A 49 SER OG : rot -36:sc= 1.02 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 29:sc= 0.272 USER MOD Single : A 54 GLN :FLIP amide:sc= -2.65! C(o=-5.5!,f=-2.6!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 12.754 7.506 -5.213 1.00 0.00 N ATOM 2 CA ILE A 1 11.771 8.086 -6.164 1.00 0.00 C ATOM 3 C ILE A 1 10.349 7.942 -5.635 1.00 0.00 C ATOM 4 O ILE A 1 9.604 8.918 -5.551 1.00 0.00 O ATOM 5 CB ILE A 1 11.857 7.404 -7.544 1.00 0.00 C ATOM 6 CG1 ILE A 1 13.317 7.259 -7.987 1.00 0.00 C ATOM 7 CG2 ILE A 1 11.058 8.190 -8.574 1.00 0.00 C ATOM 8 CD1 ILE A 1 14.072 8.572 -8.056 1.00 0.00 C ATOM 0 H1 ILE A 1 13.671 7.984 -5.327 1.00 0.00 H new ATOM 0 H2 ILE A 1 12.414 7.637 -4.239 1.00 0.00 H new ATOM 0 H3 ILE A 1 12.867 6.490 -5.407 1.00 0.00 H new ATOM 0 HA ILE A 1 12.017 9.143 -6.269 1.00 0.00 H new ATOM 0 HB ILE A 1 11.427 6.406 -7.462 1.00 0.00 H new ATOM 0 HG12 ILE A 1 13.831 6.591 -7.296 1.00 0.00 H new ATOM 0 HG13 ILE A 1 13.343 6.784 -8.968 1.00 0.00 H new ATOM 0 HG21 ILE A 1 11.128 7.696 -9.543 1.00 0.00 H new ATOM 0 HG22 ILE A 1 10.014 8.237 -8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 1 11.459 9.201 -8.652 1.00 0.00 H new ATOM 0 HD11 ILE A 1 15.097 8.386 -8.377 1.00 0.00 H new ATOM 0 HD12 ILE A 1 13.583 9.236 -8.769 1.00 0.00 H new ATOM 0 HD13 ILE A 1 14.079 9.040 -7.071 1.00 0.00 H new ATOM 22 N PHE A 2 9.981 6.714 -5.282 1.00 0.00 N ATOM 23 CA PHE A 2 8.649 6.434 -4.760 1.00 0.00 C ATOM 24 C PHE A 2 8.634 6.542 -3.239 1.00 0.00 C ATOM 25 O PHE A 2 9.677 6.733 -2.613 1.00 0.00 O ATOM 26 CB PHE A 2 8.193 5.042 -5.198 1.00 0.00 C ATOM 27 CG PHE A 2 8.265 4.831 -6.684 1.00 0.00 C ATOM 28 CD1 PHE A 2 7.218 5.219 -7.503 1.00 0.00 C ATOM 29 CD2 PHE A 2 9.382 4.248 -7.261 1.00 0.00 C ATOM 30 CE1 PHE A 2 7.282 5.029 -8.871 1.00 0.00 C ATOM 31 CE2 PHE A 2 9.452 4.055 -8.627 1.00 0.00 C ATOM 32 CZ PHE A 2 8.401 4.446 -9.433 1.00 0.00 C ATOM 0 H PHE A 2 10.588 5.897 -5.348 1.00 0.00 H new ATOM 0 HA PHE A 2 7.957 7.174 -5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 2 8.810 4.293 -4.702 1.00 0.00 H new ATOM 0 HB3 PHE A 2 7.168 4.882 -4.865 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.341 5.675 -7.068 1.00 0.00 H new ATOM 0 HD2 PHE A 2 10.207 3.941 -6.636 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.459 5.336 -9.499 1.00 0.00 H new ATOM 0 HE2 PHE A 2 10.328 3.599 -9.064 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.454 4.296 -10.501 1.00 0.00 H new ATOM 42 N ASP A 3 7.449 6.417 -2.647 1.00 0.00 N ATOM 43 CA ASP A 3 7.311 6.515 -1.197 1.00 0.00 C ATOM 44 C ASP A 3 6.683 5.255 -0.605 1.00 0.00 C ATOM 45 O ASP A 3 5.499 4.986 -0.805 1.00 0.00 O ATOM 46 CB ASP A 3 6.471 7.738 -0.830 1.00 0.00 C ATOM 47 CG ASP A 3 7.104 9.034 -1.298 1.00 0.00 C ATOM 48 OD1 ASP A 3 6.994 9.347 -2.503 1.00 0.00 O ATOM 49 OD2 ASP A 3 7.711 9.735 -0.462 1.00 0.00 O ATOM 0 H ASP A 3 6.575 6.249 -3.146 1.00 0.00 H new ATOM 0 HA ASP A 3 8.310 6.621 -0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.479 7.641 -1.272 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.336 7.772 0.251 1.00 0.00 H new ATOM 54 N ILE A 4 7.489 4.490 0.127 1.00 0.00 N ATOM 55 CA ILE A 4 7.025 3.264 0.764 1.00 0.00 C ATOM 56 C ILE A 4 6.391 3.556 2.123 1.00 0.00 C ATOM 57 O ILE A 4 7.068 3.999 3.052 1.00 0.00 O ATOM 58 CB ILE A 4 8.184 2.267 0.959 1.00 0.00 C ATOM 59 CG1 ILE A 4 8.951 2.075 -0.353 1.00 0.00 C ATOM 60 CG2 ILE A 4 7.655 0.937 1.468 1.00 0.00 C ATOM 61 CD1 ILE A 4 10.200 1.230 -0.211 1.00 0.00 C ATOM 0 H ILE A 4 8.473 4.701 0.293 1.00 0.00 H new ATOM 0 HA ILE A 4 6.277 2.824 0.104 1.00 0.00 H new ATOM 0 HB ILE A 4 8.871 2.673 1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.290 1.611 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.228 3.052 -0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.484 0.242 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.151 1.087 2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.950 0.526 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.689 1.138 -1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.881 1.703 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.929 0.239 0.154 1.00 0.00 H new ATOM 73 N TYR A 5 5.089 3.305 2.231 1.00 0.00 N ATOM 74 CA TYR A 5 4.359 3.533 3.475 1.00 0.00 C ATOM 75 C TYR A 5 4.216 2.234 4.262 1.00 0.00 C ATOM 76 O TYR A 5 4.319 1.144 3.700 1.00 0.00 O ATOM 77 CB TYR A 5 2.977 4.120 3.180 1.00 0.00 C ATOM 78 CG TYR A 5 3.019 5.462 2.481 1.00 0.00 C ATOM 79 CD1 TYR A 5 3.171 5.544 1.103 1.00 0.00 C ATOM 80 CD2 TYR A 5 2.906 6.645 3.200 1.00 0.00 C ATOM 81 CE1 TYR A 5 3.211 6.767 0.461 1.00 0.00 C ATOM 82 CE2 TYR A 5 2.944 7.873 2.566 1.00 0.00 C ATOM 83 CZ TYR A 5 3.097 7.928 1.196 1.00 0.00 C ATOM 84 OH TYR A 5 3.138 9.148 0.561 1.00 0.00 O ATOM 0 H TYR A 5 4.516 2.942 1.469 1.00 0.00 H new ATOM 0 HA TYR A 5 4.925 4.244 4.077 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.418 3.417 2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.430 4.226 4.117 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.259 4.637 0.524 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.786 6.605 4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.331 6.813 -0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.854 8.784 3.140 1.00 0.00 H new ATOM 0 HH TYR A 5 3.043 9.865 1.223 1.00 0.00 H new ATOM 94 N VAL A 6 3.977 2.357 5.565 1.00 0.00 N ATOM 95 CA VAL A 6 3.826 1.189 6.426 1.00 0.00 C ATOM 96 C VAL A 6 2.499 1.219 7.181 1.00 0.00 C ATOM 97 O VAL A 6 2.047 2.276 7.623 1.00 0.00 O ATOM 98 CB VAL A 6 4.985 1.087 7.439 1.00 0.00 C ATOM 99 CG1 VAL A 6 5.046 2.330 8.314 1.00 0.00 C ATOM 100 CG2 VAL A 6 4.850 -0.169 8.290 1.00 0.00 C ATOM 0 H VAL A 6 3.884 3.252 6.046 1.00 0.00 H new ATOM 0 HA VAL A 6 3.842 0.314 5.776 1.00 0.00 H new ATOM 0 HB VAL A 6 5.919 1.019 6.882 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.870 2.237 9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.202 3.208 7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.109 2.436 8.861 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.678 -0.220 8.997 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.907 -0.139 8.837 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.868 -1.048 7.646 1.00 0.00 H new ATOM 110 N VAL A 7 1.880 0.050 7.319 1.00 0.00 N ATOM 111 CA VAL A 7 0.608 -0.068 8.022 1.00 0.00 C ATOM 112 C VAL A 7 0.831 -0.235 9.523 1.00 0.00 C ATOM 113 O VAL A 7 1.291 -1.282 9.979 1.00 0.00 O ATOM 114 CB VAL A 7 -0.211 -1.264 7.495 1.00 0.00 C ATOM 115 CG1 VAL A 7 -1.592 -1.300 8.131 1.00 0.00 C ATOM 116 CG2 VAL A 7 -0.318 -1.211 5.979 1.00 0.00 C ATOM 0 H VAL A 7 2.240 -0.831 6.952 1.00 0.00 H new ATOM 0 HA VAL A 7 0.051 0.851 7.840 1.00 0.00 H new ATOM 0 HB VAL A 7 0.310 -2.181 7.771 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.149 -2.152 7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.492 -1.394 9.212 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.126 -0.379 7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.899 -2.063 5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.812 -0.286 5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.680 -1.246 5.542 1.00 0.00 H new ATOM 126 N THR A 8 0.506 0.805 10.286 1.00 0.00 N ATOM 127 CA THR A 8 0.679 0.776 11.735 1.00 0.00 C ATOM 128 C THR A 8 -0.664 0.722 12.457 1.00 0.00 C ATOM 129 O THR A 8 -0.746 1.006 13.653 1.00 0.00 O ATOM 130 CB THR A 8 1.463 2.006 12.229 1.00 0.00 C ATOM 131 OG1 THR A 8 0.750 3.205 11.904 1.00 0.00 O ATOM 132 CG2 THR A 8 2.849 2.050 11.603 1.00 0.00 C ATOM 0 H THR A 8 0.121 1.678 9.925 1.00 0.00 H new ATOM 0 HA THR A 8 1.244 -0.128 11.964 1.00 0.00 H new ATOM 0 HB THR A 8 1.571 1.930 13.311 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.271 3.732 11.262 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.385 2.927 11.966 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.400 1.150 11.875 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.757 2.105 10.518 1.00 0.00 H new ATOM 140 N ALA A 9 -1.713 0.351 11.731 1.00 0.00 N ATOM 141 CA ALA A 9 -3.049 0.265 12.312 1.00 0.00 C ATOM 142 C ALA A 9 -3.819 -0.929 11.761 1.00 0.00 C ATOM 143 O ALA A 9 -5.030 -1.039 11.959 1.00 0.00 O ATOM 144 CB ALA A 9 -3.818 1.553 12.056 1.00 0.00 C ATOM 0 H ALA A 9 -1.665 0.106 10.742 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.939 0.124 13.387 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.813 1.476 12.494 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.286 2.390 12.508 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.906 1.717 10.982 1.00 0.00 H new ATOM 150 N ASP A 10 -3.109 -1.820 11.071 1.00 0.00 N ATOM 151 CA ASP A 10 -3.719 -3.012 10.485 1.00 0.00 C ATOM 152 C ASP A 10 -4.741 -2.633 9.415 1.00 0.00 C ATOM 153 O ASP A 10 -5.327 -1.551 9.456 1.00 0.00 O ATOM 154 CB ASP A 10 -4.386 -3.862 11.570 1.00 0.00 C ATOM 155 CG ASP A 10 -4.995 -5.135 11.017 1.00 0.00 C ATOM 156 OD1 ASP A 10 -4.271 -6.149 10.927 1.00 0.00 O ATOM 157 OD2 ASP A 10 -6.195 -5.118 10.673 1.00 0.00 O ATOM 0 H ASP A 10 -2.106 -1.738 10.904 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.929 -3.597 10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.649 -4.117 12.332 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.162 -3.275 12.061 1.00 0.00 H new ATOM 162 N TYR A 11 -4.949 -3.526 8.454 1.00 0.00 N ATOM 163 CA TYR A 11 -5.902 -3.276 7.379 1.00 0.00 C ATOM 164 C TYR A 11 -6.492 -4.582 6.858 1.00 0.00 C ATOM 165 O TYR A 11 -5.919 -5.229 5.982 1.00 0.00 O ATOM 166 CB TYR A 11 -5.227 -2.513 6.237 1.00 0.00 C ATOM 167 CG TYR A 11 -6.201 -1.873 5.274 1.00 0.00 C ATOM 168 CD1 TYR A 11 -6.692 -0.593 5.503 1.00 0.00 C ATOM 169 CD2 TYR A 11 -6.629 -2.546 4.136 1.00 0.00 C ATOM 170 CE1 TYR A 11 -7.582 -0.003 4.627 1.00 0.00 C ATOM 171 CE2 TYR A 11 -7.518 -1.961 3.254 1.00 0.00 C ATOM 172 CZ TYR A 11 -7.991 -0.690 3.504 1.00 0.00 C ATOM 173 OH TYR A 11 -8.877 -0.105 2.628 1.00 0.00 O ATOM 0 H TYR A 11 -4.473 -4.426 8.397 1.00 0.00 H new ATOM 0 HA TYR A 11 -6.713 -2.669 7.781 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.585 -1.739 6.658 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.582 -3.197 5.686 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.372 -0.051 6.381 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.261 -3.542 3.938 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.956 0.992 4.821 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.841 -2.497 2.373 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.062 -0.722 1.889 1.00 0.00 H new ATOM 183 N LEU A 12 -7.640 -4.965 7.408 1.00 0.00 N ATOM 184 CA LEU A 12 -8.310 -6.195 7.002 1.00 0.00 C ATOM 185 C LEU A 12 -9.669 -5.893 6.369 1.00 0.00 C ATOM 186 O LEU A 12 -10.603 -5.489 7.062 1.00 0.00 O ATOM 187 CB LEU A 12 -8.490 -7.119 8.208 1.00 0.00 C ATOM 188 CG LEU A 12 -7.190 -7.615 8.845 1.00 0.00 C ATOM 189 CD1 LEU A 12 -7.483 -8.377 10.128 1.00 0.00 C ATOM 190 CD2 LEU A 12 -6.416 -8.489 7.869 1.00 0.00 C ATOM 0 H LEU A 12 -8.126 -4.441 8.136 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.687 -6.693 6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.070 -6.593 8.966 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.078 -7.983 7.899 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.575 -6.749 9.092 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.547 -8.723 10.568 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.994 -7.721 10.832 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.118 -9.235 9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.495 -8.832 8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.024 -9.350 7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.174 -7.912 6.977 1.00 0.00 H new ATOM 202 N PRO A 13 -9.800 -6.086 5.041 1.00 0.00 N ATOM 203 CA PRO A 13 -11.058 -5.828 4.328 1.00 0.00 C ATOM 204 C PRO A 13 -12.219 -6.640 4.885 1.00 0.00 C ATOM 205 O PRO A 13 -12.185 -7.870 4.889 1.00 0.00 O ATOM 206 CB PRO A 13 -10.757 -6.266 2.893 1.00 0.00 C ATOM 207 CG PRO A 13 -9.277 -6.181 2.772 1.00 0.00 C ATOM 208 CD PRO A 13 -8.738 -6.545 4.126 1.00 0.00 C ATOM 0 HA PRO A 13 -11.362 -4.785 4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.112 -7.280 2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.251 -5.617 2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.907 -6.863 2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.965 -5.178 2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.564 -7.617 4.216 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.789 -6.049 4.329 1.00 0.00 H new ATOM 216 N LEU A 14 -13.247 -5.941 5.353 1.00 0.00 N ATOM 217 CA LEU A 14 -14.424 -6.595 5.906 1.00 0.00 C ATOM 218 C LEU A 14 -15.433 -6.905 4.806 1.00 0.00 C ATOM 219 O LEU A 14 -16.221 -6.046 4.409 1.00 0.00 O ATOM 220 CB LEU A 14 -15.067 -5.711 6.978 1.00 0.00 C ATOM 221 CG LEU A 14 -14.253 -5.561 8.265 1.00 0.00 C ATOM 222 CD1 LEU A 14 -14.835 -4.461 9.139 1.00 0.00 C ATOM 223 CD2 LEU A 14 -14.213 -6.879 9.025 1.00 0.00 C ATOM 0 H LEU A 14 -13.288 -4.922 5.360 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.112 -7.534 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.238 -4.721 6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.044 -6.123 7.230 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.233 -5.285 7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.243 -4.369 10.050 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.815 -3.516 8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.864 -4.709 9.399 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.630 -6.755 9.938 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.228 -7.182 9.281 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.752 -7.645 8.401 1.00 0.00 H new ATOM 235 N GLY A 15 -15.394 -8.138 4.310 1.00 0.00 N ATOM 236 CA GLY A 15 -16.308 -8.546 3.259 1.00 0.00 C ATOM 237 C GLY A 15 -15.624 -8.663 1.911 1.00 0.00 C ATOM 238 O GLY A 15 -14.503 -9.163 1.818 1.00 0.00 O ATOM 0 H GLY A 15 -14.745 -8.862 4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.754 -9.505 3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -17.122 -7.824 3.189 1.00 0.00 H new ATOM 242 N ALA A 16 -16.301 -8.198 0.866 1.00 0.00 N ATOM 243 CA ALA A 16 -15.755 -8.251 -0.485 1.00 0.00 C ATOM 244 C ALA A 16 -15.585 -6.852 -1.065 1.00 0.00 C ATOM 245 O ALA A 16 -16.566 -6.179 -1.386 1.00 0.00 O ATOM 246 CB ALA A 16 -16.651 -9.089 -1.384 1.00 0.00 C ATOM 0 H ALA A 16 -17.229 -7.780 0.929 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.771 -8.717 -0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.231 -9.120 -2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.719 -10.102 -0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.646 -8.646 -1.420 1.00 0.00 H new ATOM 252 N GLU A 17 -14.336 -6.419 -1.195 1.00 0.00 N ATOM 253 CA GLU A 17 -14.034 -5.102 -1.741 1.00 0.00 C ATOM 254 C GLU A 17 -13.417 -5.225 -3.130 1.00 0.00 C ATOM 255 O GLU A 17 -12.429 -5.935 -3.318 1.00 0.00 O ATOM 256 CB GLU A 17 -13.084 -4.344 -0.811 1.00 0.00 C ATOM 257 CG GLU A 17 -13.621 -4.165 0.601 1.00 0.00 C ATOM 258 CD GLU A 17 -14.944 -3.426 0.635 1.00 0.00 C ATOM 259 OE1 GLU A 17 -14.926 -2.180 0.717 1.00 0.00 O ATOM 260 OE2 GLU A 17 -15.998 -4.093 0.581 1.00 0.00 O ATOM 0 H GLU A 17 -13.515 -6.963 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.967 -4.544 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.134 -4.877 -0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.878 -3.363 -1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.744 -5.144 1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.889 -3.619 1.197 1.00 0.00 H new ATOM 267 N GLN A 18 -14.004 -4.530 -4.100 1.00 0.00 N ATOM 268 CA GLN A 18 -13.511 -4.568 -5.472 1.00 0.00 C ATOM 269 C GLN A 18 -12.345 -3.602 -5.660 1.00 0.00 C ATOM 270 O GLN A 18 -12.337 -2.508 -5.095 1.00 0.00 O ATOM 271 CB GLN A 18 -14.638 -4.225 -6.451 1.00 0.00 C ATOM 272 CG GLN A 18 -14.273 -4.459 -7.908 1.00 0.00 C ATOM 273 CD GLN A 18 -14.006 -5.920 -8.216 1.00 0.00 C ATOM 274 OE1 GLN A 18 -12.756 -6.340 -8.059 1.00 0.00 O flip ATOM 275 NE2 GLN A 18 -14.914 -6.664 -8.588 1.00 0.00 N flip ATOM 0 H GLN A 18 -14.820 -3.935 -3.961 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.157 -5.578 -5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -15.516 -4.823 -6.205 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.917 -3.180 -6.319 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.082 -4.100 -8.544 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.389 -3.872 -8.156 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.860 -6.299 -8.695 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.720 -7.645 -8.789 1.00 0.00 H new ATOM 284 N ASP A 19 -11.360 -4.019 -6.454 1.00 0.00 N ATOM 285 CA ASP A 19 -10.184 -3.197 -6.727 1.00 0.00 C ATOM 286 C ASP A 19 -9.413 -2.899 -5.445 1.00 0.00 C ATOM 287 O ASP A 19 -8.680 -1.912 -5.366 1.00 0.00 O ATOM 288 CB ASP A 19 -10.592 -1.887 -7.405 1.00 0.00 C ATOM 289 CG ASP A 19 -11.362 -2.116 -8.691 1.00 0.00 C ATOM 290 OD1 ASP A 19 -10.738 -2.525 -9.692 1.00 0.00 O ATOM 291 OD2 ASP A 19 -12.590 -1.886 -8.696 1.00 0.00 O ATOM 0 H ASP A 19 -11.354 -4.926 -6.921 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.534 -3.758 -7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.203 -1.301 -6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.700 -1.299 -7.619 1.00 0.00 H new ATOM 296 N ALA A 20 -9.574 -3.761 -4.447 1.00 0.00 N ATOM 297 CA ALA A 20 -8.893 -3.585 -3.170 1.00 0.00 C ATOM 298 C ALA A 20 -7.857 -4.680 -2.940 1.00 0.00 C ATOM 299 O ALA A 20 -7.927 -5.751 -3.543 1.00 0.00 O ATOM 300 CB ALA A 20 -9.902 -3.563 -2.033 1.00 0.00 C ATOM 0 H ALA A 20 -10.169 -4.588 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.370 -2.629 -3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.380 -3.431 -1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.599 -2.738 -2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.452 -4.504 -2.016 1.00 0.00 H new ATOM 306 N ILE A 21 -6.896 -4.401 -2.064 1.00 0.00 N ATOM 307 CA ILE A 21 -5.845 -5.361 -1.748 1.00 0.00 C ATOM 308 C ILE A 21 -5.690 -5.520 -0.239 1.00 0.00 C ATOM 309 O ILE A 21 -5.848 -4.560 0.516 1.00 0.00 O ATOM 310 CB ILE A 21 -4.492 -4.937 -2.358 1.00 0.00 C ATOM 311 CG1 ILE A 21 -3.429 -6.009 -2.096 1.00 0.00 C ATOM 312 CG2 ILE A 21 -4.052 -3.594 -1.791 1.00 0.00 C ATOM 313 CD1 ILE A 21 -2.112 -5.746 -2.797 1.00 0.00 C ATOM 0 H ILE A 21 -6.824 -3.517 -1.560 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.141 -6.316 -2.183 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.614 -4.831 -3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.252 -6.077 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.815 -6.976 -2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.096 -3.309 -2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.800 -2.837 -2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.944 -3.673 -0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.410 -6.547 -2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.274 -5.707 -3.874 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.703 -4.794 -2.458 1.00 0.00 H new ATOM 325 N THR A 22 -5.382 -6.738 0.196 1.00 0.00 N ATOM 326 CA THR A 22 -5.204 -7.020 1.616 1.00 0.00 C ATOM 327 C THR A 22 -3.841 -6.538 2.103 1.00 0.00 C ATOM 328 O THR A 22 -2.875 -6.508 1.341 1.00 0.00 O ATOM 329 CB THR A 22 -5.340 -8.525 1.913 1.00 0.00 C ATOM 330 OG1 THR A 22 -4.346 -9.259 1.187 1.00 0.00 O ATOM 331 CG2 THR A 22 -6.725 -9.029 1.536 1.00 0.00 C ATOM 0 H THR A 22 -5.251 -7.545 -0.414 1.00 0.00 H new ATOM 0 HA THR A 22 -5.990 -6.482 2.147 1.00 0.00 H new ATOM 0 HB THR A 22 -5.195 -8.676 2.983 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.438 -10.215 1.382 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.797 -10.094 1.755 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.478 -8.489 2.111 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.895 -8.865 0.472 1.00 0.00 H new ATOM 339 N LEU A 23 -3.771 -6.160 3.377 1.00 0.00 N ATOM 340 CA LEU A 23 -2.526 -5.677 3.965 1.00 0.00 C ATOM 341 C LEU A 23 -2.410 -6.089 5.428 1.00 0.00 C ATOM 342 O LEU A 23 -3.415 -6.284 6.112 1.00 0.00 O ATOM 343 CB LEU A 23 -2.434 -4.152 3.848 1.00 0.00 C ATOM 344 CG LEU A 23 -2.125 -3.621 2.445 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.122 -2.101 2.439 1.00 0.00 C ATOM 346 CD2 LEU A 23 -0.788 -4.157 1.952 1.00 0.00 C ATOM 0 H LEU A 23 -4.562 -6.179 4.021 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.702 -6.130 3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.378 -3.721 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.662 -3.798 4.531 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.906 -3.968 1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.901 -1.742 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.101 -1.734 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.362 -1.736 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.586 -3.769 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.004 -3.841 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.823 -5.246 1.917 1.00 0.00 H new ATOM 358 N ARG A 24 -1.174 -6.222 5.897 1.00 0.00 N ATOM 359 CA ARG A 24 -0.913 -6.605 7.279 1.00 0.00 C ATOM 360 C ARG A 24 -0.128 -5.515 8.000 1.00 0.00 C ATOM 361 O ARG A 24 0.791 -4.923 7.433 1.00 0.00 O ATOM 362 CB ARG A 24 -0.137 -7.924 7.328 1.00 0.00 C ATOM 363 CG ARG A 24 -0.910 -9.109 6.771 1.00 0.00 C ATOM 364 CD ARG A 24 -2.115 -9.447 7.634 1.00 0.00 C ATOM 365 NE ARG A 24 -1.735 -9.730 9.016 1.00 0.00 N ATOM 366 CZ ARG A 24 -2.610 -9.941 9.995 1.00 0.00 C ATOM 367 NH1 ARG A 24 -3.912 -9.917 9.744 1.00 0.00 N ATOM 368 NH2 ARG A 24 -2.181 -10.181 11.226 1.00 0.00 N ATOM 0 H ARG A 24 -0.335 -6.070 5.338 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.871 -6.737 7.783 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.791 -7.811 6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.139 -8.135 8.361 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.240 -8.885 5.757 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.252 -9.976 6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.820 -8.616 7.615 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.630 -10.311 7.215 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.741 -9.768 9.243 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.246 -9.736 8.797 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.580 -10.079 10.498 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.180 -10.204 11.422 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.852 -10.343 11.977 1.00 0.00 H new ATOM 382 N GLU A 25 -0.497 -5.250 9.250 1.00 0.00 N ATOM 383 CA GLU A 25 0.175 -4.230 10.046 1.00 0.00 C ATOM 384 C GLU A 25 1.670 -4.521 10.153 1.00 0.00 C ATOM 385 O GLU A 25 2.095 -5.351 10.956 1.00 0.00 O ATOM 386 CB GLU A 25 -0.448 -4.151 11.442 1.00 0.00 C ATOM 387 CG GLU A 25 0.225 -3.138 12.356 1.00 0.00 C ATOM 388 CD GLU A 25 -0.373 -3.124 13.750 1.00 0.00 C ATOM 389 OE1 GLU A 25 -1.384 -2.419 13.954 1.00 0.00 O ATOM 390 OE2 GLU A 25 0.170 -3.817 14.636 1.00 0.00 O ATOM 0 H GLU A 25 -1.258 -5.728 9.733 1.00 0.00 H new ATOM 0 HA GLU A 25 0.048 -3.270 9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.503 -3.895 11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.400 -5.135 11.908 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.289 -3.365 12.423 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.138 -2.144 11.917 1.00 0.00 H new ATOM 397 N GLY A 26 2.460 -3.832 9.334 1.00 0.00 N ATOM 398 CA GLY A 26 3.898 -4.027 9.345 1.00 0.00 C ATOM 399 C GLY A 26 4.444 -4.348 7.968 1.00 0.00 C ATOM 400 O GLY A 26 5.534 -4.905 7.838 1.00 0.00 O ATOM 0 H GLY A 26 2.128 -3.141 8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.382 -3.127 9.725 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.148 -4.837 10.031 1.00 0.00 H new ATOM 404 N GLN A 27 3.682 -3.993 6.937 1.00 0.00 N ATOM 405 CA GLN A 27 4.080 -4.240 5.564 1.00 0.00 C ATOM 406 C GLN A 27 4.634 -2.973 4.918 1.00 0.00 C ATOM 407 O GLN A 27 4.397 -1.865 5.400 1.00 0.00 O ATOM 408 CB GLN A 27 2.876 -4.743 4.777 1.00 0.00 C ATOM 409 CG GLN A 27 3.004 -6.186 4.329 1.00 0.00 C ATOM 410 CD GLN A 27 4.149 -6.397 3.358 1.00 0.00 C ATOM 411 OE1 GLN A 27 5.273 -6.697 3.761 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.870 -6.236 2.070 1.00 0.00 N ATOM 0 H GLN A 27 2.778 -3.530 7.034 1.00 0.00 H new ATOM 0 HA GLN A 27 4.868 -4.993 5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.982 -4.640 5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.735 -4.110 3.901 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.151 -6.822 5.202 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.072 -6.501 3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.924 -5.987 1.780 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.601 -6.361 1.370 1.00 0.00 H new ATOM 421 N TYR A 28 5.372 -3.146 3.826 1.00 0.00 N ATOM 422 CA TYR A 28 5.963 -2.017 3.114 1.00 0.00 C ATOM 423 C TYR A 28 5.507 -1.998 1.658 1.00 0.00 C ATOM 424 O TYR A 28 5.498 -3.031 0.990 1.00 0.00 O ATOM 425 CB TYR A 28 7.488 -2.095 3.176 1.00 0.00 C ATOM 426 CG TYR A 28 8.025 -2.438 4.547 1.00 0.00 C ATOM 427 CD1 TYR A 28 8.261 -1.447 5.490 1.00 0.00 C ATOM 428 CD2 TYR A 28 8.297 -3.755 4.897 1.00 0.00 C ATOM 429 CE1 TYR A 28 8.753 -1.758 6.744 1.00 0.00 C ATOM 430 CE2 TYR A 28 8.788 -4.074 6.148 1.00 0.00 C ATOM 431 CZ TYR A 28 9.014 -3.073 7.068 1.00 0.00 C ATOM 432 OH TYR A 28 9.504 -3.386 8.315 1.00 0.00 O ATOM 0 H TYR A 28 5.575 -4.057 3.414 1.00 0.00 H new ATOM 0 HA TYR A 28 5.630 -1.098 3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.834 -2.843 2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.905 -1.138 2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.057 -0.416 5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.122 -4.542 4.179 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.932 -0.975 7.466 1.00 0.00 H new ATOM 0 HE2 TYR A 28 8.994 -5.103 6.404 1.00 0.00 H new ATOM 0 HH TYR A 28 9.632 -4.355 8.382 1.00 0.00 H new ATOM 442 N VAL A 29 5.132 -0.818 1.171 1.00 0.00 N ATOM 443 CA VAL A 29 4.677 -0.678 -0.209 1.00 0.00 C ATOM 444 C VAL A 29 4.778 0.768 -0.701 1.00 0.00 C ATOM 445 O VAL A 29 4.204 1.680 -0.108 1.00 0.00 O ATOM 446 CB VAL A 29 3.220 -1.165 -0.359 1.00 0.00 C ATOM 447 CG1 VAL A 29 2.326 -0.514 0.685 1.00 0.00 C ATOM 448 CG2 VAL A 29 2.700 -0.885 -1.761 1.00 0.00 C ATOM 0 H VAL A 29 5.134 0.050 1.707 1.00 0.00 H new ATOM 0 HA VAL A 29 5.334 -1.297 -0.820 1.00 0.00 H new ATOM 0 HB VAL A 29 3.203 -2.243 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.303 -0.871 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.683 -0.773 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.350 0.569 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.672 -1.236 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.734 0.187 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.321 -1.405 -2.490 1.00 0.00 H new ATOM 458 N GLU A 30 5.505 0.961 -1.800 1.00 0.00 N ATOM 459 CA GLU A 30 5.676 2.281 -2.397 1.00 0.00 C ATOM 460 C GLU A 30 4.447 2.676 -3.211 1.00 0.00 C ATOM 461 O GLU A 30 3.724 1.816 -3.715 1.00 0.00 O ATOM 462 CB GLU A 30 6.915 2.296 -3.293 1.00 0.00 C ATOM 463 CG GLU A 30 6.927 1.182 -4.328 1.00 0.00 C ATOM 464 CD GLU A 30 8.199 1.162 -5.154 1.00 0.00 C ATOM 465 OE1 GLU A 30 9.245 0.735 -4.622 1.00 0.00 O ATOM 466 OE2 GLU A 30 8.147 1.571 -6.333 1.00 0.00 O ATOM 0 H GLU A 30 5.988 0.213 -2.297 1.00 0.00 H new ATOM 0 HA GLU A 30 5.803 3.003 -1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.973 3.257 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.806 2.212 -2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.811 0.223 -3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.070 1.299 -4.991 1.00 0.00 H new ATOM 473 N VAL A 31 4.218 3.980 -3.338 1.00 0.00 N ATOM 474 CA VAL A 31 3.079 4.486 -4.095 1.00 0.00 C ATOM 475 C VAL A 31 3.452 4.705 -5.561 1.00 0.00 C ATOM 476 O VAL A 31 4.518 5.241 -5.866 1.00 0.00 O ATOM 477 CB VAL A 31 2.548 5.806 -3.497 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.587 6.912 -3.612 1.00 0.00 C ATOM 479 CG2 VAL A 31 1.247 6.216 -4.169 1.00 0.00 C ATOM 0 H VAL A 31 4.806 4.705 -2.926 1.00 0.00 H new ATOM 0 HA VAL A 31 2.293 3.734 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 31 2.348 5.641 -2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.188 7.832 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.489 6.622 -3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.829 7.076 -4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.890 7.149 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.417 6.357 -5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.499 5.437 -4.021 1.00 0.00 H new ATOM 489 N LEU A 32 2.572 4.280 -6.464 1.00 0.00 N ATOM 490 CA LEU A 32 2.810 4.429 -7.897 1.00 0.00 C ATOM 491 C LEU A 32 2.355 5.799 -8.390 1.00 0.00 C ATOM 492 O LEU A 32 3.171 6.624 -8.802 1.00 0.00 O ATOM 493 CB LEU A 32 2.085 3.329 -8.678 1.00 0.00 C ATOM 494 CG LEU A 32 2.653 1.918 -8.504 1.00 0.00 C ATOM 495 CD1 LEU A 32 1.794 0.904 -9.242 1.00 0.00 C ATOM 496 CD2 LEU A 32 4.093 1.855 -8.995 1.00 0.00 C ATOM 0 H LEU A 32 1.688 3.830 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 32 3.883 4.340 -8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.038 3.321 -8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.108 3.584 -9.738 1.00 0.00 H new ATOM 0 HG LEU A 32 2.642 1.672 -7.442 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.212 -0.094 -9.108 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.779 0.929 -8.844 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.774 1.149 -10.304 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.479 0.844 -8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.129 2.122 -10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.703 2.554 -8.423 1.00 0.00 H new ATOM 508 N ASP A 33 1.047 6.034 -8.347 1.00 0.00 N ATOM 509 CA ASP A 33 0.482 7.303 -8.793 1.00 0.00 C ATOM 510 C ASP A 33 -0.621 7.773 -7.850 1.00 0.00 C ATOM 511 O ASP A 33 -1.290 6.964 -7.207 1.00 0.00 O ATOM 512 CB ASP A 33 -0.071 7.165 -10.214 1.00 0.00 C ATOM 513 CG ASP A 33 1.003 6.796 -11.218 1.00 0.00 C ATOM 514 OD1 ASP A 33 1.285 5.589 -11.370 1.00 0.00 O ATOM 515 OD2 ASP A 33 1.562 7.715 -11.853 1.00 0.00 O ATOM 0 H ASP A 33 0.359 5.362 -8.008 1.00 0.00 H new ATOM 0 HA ASP A 33 1.278 8.047 -8.788 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.852 6.404 -10.225 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.537 8.104 -10.513 1.00 0.00 H new ATOM 520 N ALA A 34 -0.804 9.088 -7.773 1.00 0.00 N ATOM 521 CA ALA A 34 -1.827 9.669 -6.910 1.00 0.00 C ATOM 522 C ALA A 34 -3.043 10.104 -7.720 1.00 0.00 C ATOM 523 O ALA A 34 -2.989 11.087 -8.459 1.00 0.00 O ATOM 524 CB ALA A 34 -1.256 10.847 -6.135 1.00 0.00 C ATOM 0 H ALA A 34 -0.257 9.771 -8.298 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.149 8.905 -6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.030 11.271 -5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.422 10.508 -5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.906 11.607 -6.834 1.00 0.00 H new ATOM 530 N ALA A 35 -4.140 9.366 -7.576 1.00 0.00 N ATOM 531 CA ALA A 35 -5.369 9.676 -8.298 1.00 0.00 C ATOM 532 C ALA A 35 -6.279 10.583 -7.478 1.00 0.00 C ATOM 533 O ALA A 35 -6.351 11.788 -7.720 1.00 0.00 O ATOM 534 CB ALA A 35 -6.098 8.395 -8.673 1.00 0.00 C ATOM 0 H ALA A 35 -4.203 8.550 -6.967 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.098 10.209 -9.209 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.013 8.641 -9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.457 7.784 -9.308 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.347 7.840 -7.769 1.00 0.00 H new ATOM 540 N HIS A 36 -6.973 9.996 -6.509 1.00 0.00 N ATOM 541 CA HIS A 36 -7.880 10.752 -5.653 1.00 0.00 C ATOM 542 C HIS A 36 -7.371 10.787 -4.213 1.00 0.00 C ATOM 543 O HIS A 36 -6.782 9.817 -3.736 1.00 0.00 O ATOM 544 CB HIS A 36 -9.281 10.139 -5.694 1.00 0.00 C ATOM 545 CG HIS A 36 -9.960 10.278 -7.021 1.00 0.00 C ATOM 546 ND1 HIS A 36 -10.251 9.203 -7.836 1.00 0.00 N ATOM 547 CD2 HIS A 36 -10.414 11.375 -7.672 1.00 0.00 C ATOM 548 CE1 HIS A 36 -10.854 9.634 -8.930 1.00 0.00 C ATOM 549 NE2 HIS A 36 -10.965 10.947 -8.854 1.00 0.00 N ATOM 0 H HIS A 36 -6.925 8.999 -6.297 1.00 0.00 H new ATOM 0 HA HIS A 36 -7.925 11.774 -6.028 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.213 9.081 -5.440 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.897 10.612 -4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.354 12.396 -7.326 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.197 9.017 -9.747 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -11.392 11.547 -9.560 1.00 0.00 H new ATOM 558 N PRO A 37 -7.594 11.908 -3.499 1.00 0.00 N ATOM 559 CA PRO A 37 -7.154 12.062 -2.104 1.00 0.00 C ATOM 560 C PRO A 37 -7.708 10.966 -1.199 1.00 0.00 C ATOM 561 O PRO A 37 -7.160 10.691 -0.132 1.00 0.00 O ATOM 562 CB PRO A 37 -7.731 13.424 -1.707 1.00 0.00 C ATOM 563 CG PRO A 37 -7.865 14.151 -2.982 1.00 0.00 C ATOM 564 CD PRO A 37 -8.286 13.117 -3.983 1.00 0.00 C ATOM 0 HA PRO A 37 -6.071 11.993 -2.004 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.694 13.317 -1.207 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.071 13.950 -1.017 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.604 14.948 -2.905 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.923 14.617 -3.270 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.368 12.986 -4.001 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.980 13.383 -4.995 1.00 0.00 H new ATOM 572 N LEU A 38 -8.798 10.344 -1.636 1.00 0.00 N ATOM 573 CA LEU A 38 -9.432 9.276 -0.871 1.00 0.00 C ATOM 574 C LEU A 38 -8.552 8.031 -0.840 1.00 0.00 C ATOM 575 O LEU A 38 -8.304 7.461 0.222 1.00 0.00 O ATOM 576 CB LEU A 38 -10.801 8.929 -1.465 1.00 0.00 C ATOM 577 CG LEU A 38 -11.880 10.005 -1.307 1.00 0.00 C ATOM 578 CD1 LEU A 38 -11.594 11.194 -2.211 1.00 0.00 C ATOM 579 CD2 LEU A 38 -13.254 9.425 -1.607 1.00 0.00 C ATOM 0 H LEU A 38 -9.262 10.562 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.567 9.632 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.674 8.719 -2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.158 8.010 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.868 10.353 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.373 11.945 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.628 11.625 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.576 10.865 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.010 10.201 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.275 9.049 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.463 8.608 -0.916 1.00 0.00 H new ATOM 591 N ARG A 39 -8.084 7.615 -2.013 1.00 0.00 N ATOM 592 CA ARG A 39 -7.233 6.436 -2.121 1.00 0.00 C ATOM 593 C ARG A 39 -6.223 6.596 -3.254 1.00 0.00 C ATOM 594 O ARG A 39 -6.579 6.987 -4.367 1.00 0.00 O ATOM 595 CB ARG A 39 -8.090 5.188 -2.345 1.00 0.00 C ATOM 596 CG ARG A 39 -8.982 5.271 -3.573 1.00 0.00 C ATOM 597 CD ARG A 39 -10.094 4.235 -3.524 1.00 0.00 C ATOM 598 NE ARG A 39 -9.580 2.886 -3.307 1.00 0.00 N ATOM 599 CZ ARG A 39 -10.355 1.816 -3.152 1.00 0.00 C ATOM 600 NH1 ARG A 39 -11.675 1.937 -3.192 1.00 0.00 N ATOM 601 NH2 ARG A 39 -9.809 0.623 -2.954 1.00 0.00 N ATOM 0 H ARG A 39 -8.280 8.077 -2.901 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.681 6.324 -1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.436 4.321 -2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.712 5.023 -1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.415 6.269 -3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.382 5.121 -4.471 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.791 4.490 -2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.656 4.262 -4.458 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.569 2.756 -3.272 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.099 2.853 -3.342 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.266 1.115 -3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.794 0.526 -2.921 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.404 -0.197 -2.835 1.00 0.00 H new ATOM 615 N TRP A 40 -4.960 6.294 -2.962 1.00 0.00 N ATOM 616 CA TRP A 40 -3.894 6.406 -3.953 1.00 0.00 C ATOM 617 C TRP A 40 -3.491 5.036 -4.488 1.00 0.00 C ATOM 618 O TRP A 40 -3.687 4.016 -3.827 1.00 0.00 O ATOM 619 CB TRP A 40 -2.673 7.110 -3.354 1.00 0.00 C ATOM 620 CG TRP A 40 -2.904 8.561 -3.053 1.00 0.00 C ATOM 621 CD1 TRP A 40 -3.678 9.434 -3.764 1.00 0.00 C ATOM 622 CD2 TRP A 40 -2.347 9.311 -1.967 1.00 0.00 C ATOM 623 NE1 TRP A 40 -3.642 10.678 -3.182 1.00 0.00 N ATOM 624 CE2 TRP A 40 -2.831 10.629 -2.079 1.00 0.00 C ATOM 625 CE3 TRP A 40 -1.489 8.997 -0.909 1.00 0.00 C ATOM 626 CZ2 TRP A 40 -2.486 11.629 -1.173 1.00 0.00 C ATOM 627 CZ3 TRP A 40 -1.146 9.991 -0.012 1.00 0.00 C ATOM 628 CH2 TRP A 40 -1.644 11.293 -0.148 1.00 0.00 C ATOM 0 H TRP A 40 -4.650 5.970 -2.046 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.276 7.001 -4.783 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.383 6.599 -2.436 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.836 7.020 -4.047 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.237 9.183 -4.654 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.138 11.504 -3.517 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.101 7.996 -0.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.869 12.633 -1.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.482 9.760 0.808 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.358 12.047 0.570 1.00 0.00 H new ATOM 639 N LEU A 41 -2.929 5.026 -5.693 1.00 0.00 N ATOM 640 CA LEU A 41 -2.493 3.787 -6.328 1.00 0.00 C ATOM 641 C LEU A 41 -1.149 3.338 -5.764 1.00 0.00 C ATOM 642 O LEU A 41 -0.184 4.101 -5.759 1.00 0.00 O ATOM 643 CB LEU A 41 -2.379 3.983 -7.842 1.00 0.00 C ATOM 644 CG LEU A 41 -1.916 2.754 -8.626 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.004 1.692 -8.645 1.00 0.00 C ATOM 646 CD2 LEU A 41 -1.522 3.142 -10.043 1.00 0.00 C ATOM 0 H LEU A 41 -2.765 5.864 -6.250 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.235 3.016 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.351 4.294 -8.226 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.684 4.800 -8.035 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.040 2.338 -8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.657 0.825 -9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.238 1.392 -7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.899 2.096 -9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.195 2.255 -10.586 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.380 3.583 -10.551 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.708 3.867 -10.009 1.00 0.00 H new ATOM 658 N VAL A 42 -1.092 2.095 -5.293 1.00 0.00 N ATOM 659 CA VAL A 42 0.136 1.549 -4.724 1.00 0.00 C ATOM 660 C VAL A 42 0.362 0.108 -5.172 1.00 0.00 C ATOM 661 O VAL A 42 -0.586 -0.607 -5.499 1.00 0.00 O ATOM 662 CB VAL A 42 0.111 1.597 -3.184 1.00 0.00 C ATOM 663 CG1 VAL A 42 -0.063 3.026 -2.692 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.993 0.702 -2.640 1.00 0.00 C ATOM 0 H VAL A 42 -1.881 1.448 -5.294 1.00 0.00 H new ATOM 0 HA VAL A 42 0.954 2.171 -5.088 1.00 0.00 H new ATOM 0 HB VAL A 42 1.067 1.226 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.078 3.036 -1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.766 3.637 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.002 3.430 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.996 0.748 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.957 1.041 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.819 -0.326 -2.959 1.00 0.00 H new ATOM 674 N ARG A 43 1.624 -0.312 -5.181 1.00 0.00 N ATOM 675 CA ARG A 43 1.979 -1.668 -5.585 1.00 0.00 C ATOM 676 C ARG A 43 3.104 -2.215 -4.713 1.00 0.00 C ATOM 677 O ARG A 43 4.213 -1.679 -4.708 1.00 0.00 O ATOM 678 CB ARG A 43 2.402 -1.691 -7.055 1.00 0.00 C ATOM 679 CG ARG A 43 2.750 -3.079 -7.568 1.00 0.00 C ATOM 680 CD ARG A 43 3.342 -3.024 -8.967 1.00 0.00 C ATOM 681 NE ARG A 43 2.430 -2.403 -9.925 1.00 0.00 N ATOM 682 CZ ARG A 43 2.818 -1.897 -11.093 1.00 0.00 C ATOM 683 NH1 ARG A 43 4.097 -1.927 -11.442 1.00 0.00 N ATOM 684 NH2 ARG A 43 1.925 -1.359 -11.912 1.00 0.00 N ATOM 0 H ARG A 43 2.419 0.269 -4.913 1.00 0.00 H new ATOM 0 HA ARG A 43 1.101 -2.301 -5.457 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.596 -1.280 -7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.265 -1.038 -7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.461 -3.551 -6.890 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.855 -3.701 -7.575 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.277 -2.465 -8.943 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.583 -4.034 -9.298 1.00 0.00 H new ATOM 0 HE ARG A 43 1.440 -2.355 -9.685 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.787 -2.339 -10.814 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.390 -1.538 -12.338 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.940 -1.333 -11.647 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.223 -0.971 -12.807 1.00 0.00 H new ATOM 698 N THR A 44 2.811 -3.280 -3.974 1.00 0.00 N ATOM 699 CA THR A 44 3.798 -3.897 -3.095 1.00 0.00 C ATOM 700 C THR A 44 5.023 -4.356 -3.878 1.00 0.00 C ATOM 701 O THR A 44 4.941 -4.626 -5.077 1.00 0.00 O ATOM 702 CB THR A 44 3.206 -5.100 -2.340 1.00 0.00 C ATOM 703 OG1 THR A 44 2.819 -6.121 -3.267 1.00 0.00 O ATOM 704 CG2 THR A 44 2.001 -4.678 -1.511 1.00 0.00 C ATOM 0 H THR A 44 1.898 -3.734 -3.966 1.00 0.00 H new ATOM 0 HA THR A 44 4.095 -3.136 -2.374 1.00 0.00 H new ATOM 0 HB THR A 44 3.971 -5.491 -1.669 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.187 -5.750 -3.918 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.599 -5.545 -0.986 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.305 -3.923 -0.786 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.235 -4.264 -2.167 1.00 0.00 H new ATOM 712 N LYS A 45 6.157 -4.440 -3.191 1.00 0.00 N ATOM 713 CA LYS A 45 7.403 -4.864 -3.817 1.00 0.00 C ATOM 714 C LYS A 45 7.592 -6.377 -3.691 1.00 0.00 C ATOM 715 O LYS A 45 7.428 -6.936 -2.607 1.00 0.00 O ATOM 716 CB LYS A 45 8.585 -4.140 -3.173 1.00 0.00 C ATOM 717 CG LYS A 45 8.534 -2.629 -3.335 1.00 0.00 C ATOM 718 CD LYS A 45 9.650 -1.944 -2.560 1.00 0.00 C ATOM 719 CE LYS A 45 11.020 -2.301 -3.116 1.00 0.00 C ATOM 720 NZ LYS A 45 12.117 -1.644 -2.353 1.00 0.00 N ATOM 0 H LYS A 45 6.239 -4.219 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 45 7.355 -4.610 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.614 -4.382 -2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.511 -4.513 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.614 -2.373 -4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.569 -2.258 -2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.511 -0.864 -2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.596 -2.234 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.154 -3.382 -3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.076 -2.002 -4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.034 -1.913 -2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.004 -0.611 -2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.080 -1.949 -1.359 1.00 0.00 H new ATOM 734 N PRO A 46 7.939 -7.064 -4.799 1.00 0.00 N ATOM 735 CA PRO A 46 8.148 -8.513 -4.788 1.00 0.00 C ATOM 736 C PRO A 46 9.479 -8.898 -4.154 1.00 0.00 C ATOM 737 O PRO A 46 10.453 -8.149 -4.230 1.00 0.00 O ATOM 738 CB PRO A 46 8.137 -8.881 -6.271 1.00 0.00 C ATOM 739 CG PRO A 46 8.622 -7.657 -6.967 1.00 0.00 C ATOM 740 CD PRO A 46 8.151 -6.487 -6.143 1.00 0.00 C ATOM 0 HA PRO A 46 7.391 -9.032 -4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.785 -9.734 -6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.136 -9.155 -6.604 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.709 -7.662 -7.050 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.225 -7.603 -7.981 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.892 -5.688 -6.123 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.232 -6.059 -6.544 1.00 0.00 H new ATOM 748 N THR A 47 9.514 -10.069 -3.528 1.00 0.00 N ATOM 749 CA THR A 47 10.727 -10.552 -2.881 1.00 0.00 C ATOM 750 C THR A 47 10.919 -12.048 -3.112 1.00 0.00 C ATOM 751 O THR A 47 9.973 -12.827 -3.004 1.00 0.00 O ATOM 752 CB THR A 47 10.709 -10.270 -1.365 1.00 0.00 C ATOM 753 OG1 THR A 47 11.893 -10.796 -0.754 1.00 0.00 O ATOM 754 CG2 THR A 47 9.481 -10.883 -0.709 1.00 0.00 C ATOM 0 H THR A 47 8.716 -10.701 -3.455 1.00 0.00 H new ATOM 0 HA THR A 47 11.560 -10.011 -3.331 1.00 0.00 H new ATOM 0 HB THR A 47 10.674 -9.190 -1.223 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.874 -10.611 0.208 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.494 -10.669 0.360 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.581 -10.458 -1.153 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.487 -11.962 -0.863 1.00 0.00 H new ATOM 762 N LYS A 48 12.152 -12.434 -3.433 1.00 0.00 N ATOM 763 CA LYS A 48 12.494 -13.833 -3.683 1.00 0.00 C ATOM 764 C LYS A 48 11.776 -14.364 -4.923 1.00 0.00 C ATOM 765 O LYS A 48 12.359 -14.424 -6.006 1.00 0.00 O ATOM 766 CB LYS A 48 12.155 -14.696 -2.461 1.00 0.00 C ATOM 767 CG LYS A 48 12.987 -15.967 -2.352 1.00 0.00 C ATOM 768 CD LYS A 48 12.568 -17.009 -3.378 1.00 0.00 C ATOM 769 CE LYS A 48 13.390 -18.281 -3.246 1.00 0.00 C ATOM 770 NZ LYS A 48 14.840 -18.034 -3.476 1.00 0.00 N ATOM 0 H LYS A 48 12.938 -11.791 -3.527 1.00 0.00 H new ATOM 0 HA LYS A 48 13.567 -13.888 -3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.297 -14.102 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.100 -14.967 -2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.041 -15.724 -2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.885 -16.383 -1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.511 -17.242 -3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.685 -16.601 -4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.247 -18.703 -2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.030 -19.021 -3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.335 -18.943 -3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.963 -17.472 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.236 -17.514 -2.667 1.00 0.00 H new ATOM 784 N SER A 49 10.513 -14.748 -4.762 1.00 0.00 N ATOM 785 CA SER A 49 9.729 -15.278 -5.874 1.00 0.00 C ATOM 786 C SER A 49 8.253 -14.920 -5.728 1.00 0.00 C ATOM 787 O SER A 49 7.401 -15.459 -6.436 1.00 0.00 O ATOM 788 CB SER A 49 9.892 -16.798 -5.954 1.00 0.00 C ATOM 789 OG SER A 49 9.177 -17.333 -7.054 1.00 0.00 O ATOM 0 H SER A 49 10.011 -14.702 -3.875 1.00 0.00 H new ATOM 0 HA SER A 49 10.099 -14.826 -6.794 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.949 -17.049 -6.047 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.537 -17.254 -5.030 1.00 0.00 H new ATOM 0 HG SER A 49 8.346 -16.829 -7.180 1.00 0.00 H new ATOM 795 N SER A 50 7.956 -14.007 -4.811 1.00 0.00 N ATOM 796 CA SER A 50 6.581 -13.581 -4.575 1.00 0.00 C ATOM 797 C SER A 50 6.146 -12.543 -5.606 1.00 0.00 C ATOM 798 O SER A 50 6.753 -11.478 -5.716 1.00 0.00 O ATOM 799 CB SER A 50 6.438 -13.008 -3.164 1.00 0.00 C ATOM 800 OG SER A 50 6.773 -13.977 -2.185 1.00 0.00 O ATOM 0 H SER A 50 8.648 -13.547 -4.219 1.00 0.00 H new ATOM 0 HA SER A 50 5.935 -14.454 -4.672 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.084 -12.137 -3.054 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.414 -12.667 -3.008 1.00 0.00 H new ATOM 0 HG SER A 50 6.676 -13.587 -1.291 1.00 0.00 H new ATOM 806 N PRO A 51 5.084 -12.841 -6.379 1.00 0.00 N ATOM 807 CA PRO A 51 4.570 -11.925 -7.403 1.00 0.00 C ATOM 808 C PRO A 51 4.120 -10.591 -6.815 1.00 0.00 C ATOM 809 O PRO A 51 3.560 -10.542 -5.719 1.00 0.00 O ATOM 810 CB PRO A 51 3.374 -12.681 -7.995 1.00 0.00 C ATOM 811 CG PRO A 51 3.008 -13.690 -6.963 1.00 0.00 C ATOM 812 CD PRO A 51 4.300 -14.086 -6.319 1.00 0.00 C ATOM 0 HA PRO A 51 5.333 -11.669 -8.138 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.543 -12.006 -8.200 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.637 -13.159 -8.939 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.317 -13.271 -6.232 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.513 -14.551 -7.413 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.155 -14.424 -5.293 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.788 -14.899 -6.856 1.00 0.00 H new ATOM 820 N SER A 52 4.371 -9.511 -7.550 1.00 0.00 N ATOM 821 CA SER A 52 3.994 -8.174 -7.103 1.00 0.00 C ATOM 822 C SER A 52 2.526 -7.890 -7.406 1.00 0.00 C ATOM 823 O SER A 52 2.081 -8.020 -8.547 1.00 0.00 O ATOM 824 CB SER A 52 4.879 -7.121 -7.772 1.00 0.00 C ATOM 825 OG SER A 52 4.771 -7.187 -9.184 1.00 0.00 O ATOM 0 H SER A 52 4.834 -9.536 -8.458 1.00 0.00 H new ATOM 0 HA SER A 52 4.138 -8.126 -6.024 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.591 -6.128 -7.428 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.917 -7.272 -7.476 1.00 0.00 H new ATOM 0 HG SER A 52 3.884 -7.524 -9.429 1.00 0.00 H new ATOM 831 N ARG A 53 1.782 -7.499 -6.376 1.00 0.00 N ATOM 832 CA ARG A 53 0.364 -7.194 -6.525 1.00 0.00 C ATOM 833 C ARG A 53 0.112 -5.696 -6.380 1.00 0.00 C ATOM 834 O ARG A 53 0.813 -5.009 -5.637 1.00 0.00 O ATOM 835 CB ARG A 53 -0.454 -7.964 -5.486 1.00 0.00 C ATOM 836 CG ARG A 53 -0.438 -9.471 -5.691 1.00 0.00 C ATOM 837 CD ARG A 53 -1.148 -9.867 -6.975 1.00 0.00 C ATOM 838 NE ARG A 53 -2.524 -9.382 -7.008 1.00 0.00 N ATOM 839 CZ ARG A 53 -3.401 -9.708 -7.953 1.00 0.00 C ATOM 840 NH1 ARG A 53 -3.049 -10.523 -8.939 1.00 0.00 N ATOM 841 NH2 ARG A 53 -4.633 -9.219 -7.913 1.00 0.00 N ATOM 0 H ARG A 53 2.139 -7.386 -5.427 1.00 0.00 H new ATOM 0 HA ARG A 53 0.053 -7.501 -7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.068 -7.737 -4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.486 -7.613 -5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.593 -9.824 -5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.918 -9.960 -4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.602 -9.468 -7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.143 -10.953 -7.072 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.831 -8.757 -6.263 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.103 -10.902 -8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.725 -10.771 -9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.909 -8.592 -7.157 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.305 -9.470 -8.638 1.00 0.00 H new ATOM 855 N GLN A 54 -0.894 -5.197 -7.092 1.00 0.00 N ATOM 856 CA GLN A 54 -1.234 -3.780 -7.045 1.00 0.00 C ATOM 857 C GLN A 54 -2.690 -3.577 -6.636 1.00 0.00 C ATOM 858 O GLN A 54 -3.601 -4.152 -7.232 1.00 0.00 O ATOM 859 CB GLN A 54 -0.970 -3.133 -8.409 1.00 0.00 C ATOM 860 CG GLN A 54 -1.438 -1.690 -8.512 1.00 0.00 C ATOM 861 CD GLN A 54 -2.806 -1.564 -9.156 1.00 0.00 C ATOM 862 OE1 GLN A 54 -3.851 -1.553 -8.337 1.00 0.00 O flip ATOM 863 NE2 GLN A 54 -2.922 -1.469 -10.378 1.00 0.00 N flip ATOM 0 H GLN A 54 -1.487 -5.753 -7.708 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.604 -3.302 -6.294 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.099 -3.173 -8.617 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.467 -3.721 -9.180 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.468 -1.250 -7.515 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.714 -1.118 -9.092 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.093 -1.482 -10.972 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.848 -1.378 -10.797 1.00 0.00 H new ATOM 872 N GLY A 55 -2.896 -2.752 -5.614 1.00 0.00 N ATOM 873 CA GLY A 55 -4.238 -2.475 -5.135 1.00 0.00 C ATOM 874 C GLY A 55 -4.352 -1.101 -4.503 1.00 0.00 C ATOM 875 O GLY A 55 -3.375 -0.575 -3.971 1.00 0.00 O ATOM 0 H GLY A 55 -2.154 -2.269 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.940 -2.550 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.525 -3.233 -4.406 1.00 0.00 H new ATOM 879 N TRP A 56 -5.544 -0.518 -4.562 1.00 0.00 N ATOM 880 CA TRP A 56 -5.778 0.801 -3.984 1.00 0.00 C ATOM 881 C TRP A 56 -5.917 0.704 -2.468 1.00 0.00 C ATOM 882 O TRP A 56 -6.601 -0.183 -1.956 1.00 0.00 O ATOM 883 CB TRP A 56 -7.037 1.431 -4.581 1.00 0.00 C ATOM 884 CG TRP A 56 -6.962 1.632 -6.063 1.00 0.00 C ATOM 885 CD1 TRP A 56 -7.231 0.707 -7.031 1.00 0.00 C ATOM 886 CD2 TRP A 56 -6.596 2.835 -6.747 1.00 0.00 C ATOM 887 NE1 TRP A 56 -7.053 1.261 -8.275 1.00 0.00 N ATOM 888 CE2 TRP A 56 -6.664 2.567 -8.128 1.00 0.00 C ATOM 889 CE3 TRP A 56 -6.218 4.113 -6.327 1.00 0.00 C ATOM 890 CZ2 TRP A 56 -6.367 3.531 -9.088 1.00 0.00 C ATOM 891 CZ3 TRP A 56 -5.924 5.069 -7.281 1.00 0.00 C ATOM 892 CH2 TRP A 56 -6.000 4.774 -8.648 1.00 0.00 C ATOM 0 H TRP A 56 -6.363 -0.937 -5.003 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.921 1.432 -4.219 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -7.894 0.798 -4.352 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -7.214 2.393 -4.101 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -7.539 -0.311 -6.845 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -7.188 0.779 -9.164 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.157 4.350 -5.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.424 3.306 -10.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.631 6.060 -6.967 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -5.764 5.543 -9.369 1.00 0.00 H new ATOM 903 N VAL A 57 -5.269 1.620 -1.754 1.00 0.00 N ATOM 904 CA VAL A 57 -5.322 1.629 -0.297 1.00 0.00 C ATOM 905 C VAL A 57 -5.645 3.022 0.237 1.00 0.00 C ATOM 906 O VAL A 57 -5.574 4.009 -0.496 1.00 0.00 O ATOM 907 CB VAL A 57 -3.992 1.149 0.317 1.00 0.00 C ATOM 908 CG1 VAL A 57 -3.656 -0.253 -0.166 1.00 0.00 C ATOM 909 CG2 VAL A 57 -2.866 2.118 -0.013 1.00 0.00 C ATOM 0 H VAL A 57 -4.702 2.364 -2.161 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.116 0.941 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.106 1.119 1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.714 -0.575 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.449 -0.939 0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.563 -0.251 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.937 1.760 0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.750 2.186 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.104 3.103 0.389 1.00 0.00 H new ATOM 919 N SER A 58 -6.000 3.093 1.517 1.00 0.00 N ATOM 920 CA SER A 58 -6.334 4.364 2.150 1.00 0.00 C ATOM 921 C SER A 58 -5.099 4.988 2.806 1.00 0.00 C ATOM 922 O SER A 58 -4.498 4.388 3.698 1.00 0.00 O ATOM 923 CB SER A 58 -7.432 4.162 3.196 1.00 0.00 C ATOM 924 OG SER A 58 -8.609 3.638 2.606 1.00 0.00 O ATOM 0 H SER A 58 -6.064 2.285 2.136 1.00 0.00 H new ATOM 0 HA SER A 58 -6.696 5.043 1.378 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.078 3.484 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.656 5.112 3.680 1.00 0.00 H new ATOM 0 HG SER A 58 -9.295 3.517 3.296 1.00 0.00 H new ATOM 930 N PRO A 59 -4.700 6.203 2.374 1.00 0.00 N ATOM 931 CA PRO A 59 -3.530 6.892 2.933 1.00 0.00 C ATOM 932 C PRO A 59 -3.780 7.427 4.339 1.00 0.00 C ATOM 933 O PRO A 59 -2.876 7.972 4.974 1.00 0.00 O ATOM 934 CB PRO A 59 -3.303 8.048 1.958 1.00 0.00 C ATOM 935 CG PRO A 59 -4.646 8.322 1.378 1.00 0.00 C ATOM 936 CD PRO A 59 -5.347 6.994 1.308 1.00 0.00 C ATOM 0 HA PRO A 59 -2.676 6.222 3.034 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.906 8.925 2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.585 7.778 1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.203 9.025 1.998 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.559 8.770 0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.419 7.097 1.479 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.224 6.527 0.331 1.00 0.00 H new ATOM 944 N ALA A 60 -5.008 7.270 4.821 1.00 0.00 N ATOM 945 CA ALA A 60 -5.370 7.741 6.153 1.00 0.00 C ATOM 946 C ALA A 60 -4.809 6.821 7.232 1.00 0.00 C ATOM 947 O ALA A 60 -4.929 7.102 8.425 1.00 0.00 O ATOM 948 CB ALA A 60 -6.882 7.850 6.282 1.00 0.00 C ATOM 0 H ALA A 60 -5.768 6.821 4.310 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.933 8.730 6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.137 8.203 7.281 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.261 8.554 5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.333 6.872 6.116 1.00 0.00 H new ATOM 954 N TYR A 61 -4.196 5.722 6.804 1.00 0.00 N ATOM 955 CA TYR A 61 -3.612 4.760 7.732 1.00 0.00 C ATOM 956 C TYR A 61 -2.162 4.463 7.365 1.00 0.00 C ATOM 957 O TYR A 61 -1.530 3.584 7.951 1.00 0.00 O ATOM 958 CB TYR A 61 -4.427 3.466 7.738 1.00 0.00 C ATOM 959 CG TYR A 61 -5.868 3.662 8.149 1.00 0.00 C ATOM 960 CD1 TYR A 61 -6.207 3.889 9.478 1.00 0.00 C ATOM 961 CD2 TYR A 61 -6.891 3.624 7.209 1.00 0.00 C ATOM 962 CE1 TYR A 61 -7.523 4.071 9.858 1.00 0.00 C ATOM 963 CE2 TYR A 61 -8.210 3.805 7.582 1.00 0.00 C ATOM 964 CZ TYR A 61 -8.520 4.029 8.907 1.00 0.00 C ATOM 965 OH TYR A 61 -9.832 4.212 9.281 1.00 0.00 O ATOM 0 H TYR A 61 -4.091 5.475 5.820 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.632 5.196 8.731 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.399 3.024 6.742 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.958 2.754 8.417 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.429 3.924 10.226 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.652 3.450 6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.769 4.245 10.895 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.994 3.771 6.839 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.409 4.154 8.491 1.00 0.00 H new ATOM 975 N LEU A 62 -1.643 5.205 6.391 1.00 0.00 N ATOM 976 CA LEU A 62 -0.266 5.028 5.943 1.00 0.00 C ATOM 977 C LEU A 62 0.600 6.208 6.368 1.00 0.00 C ATOM 978 O LEU A 62 0.230 7.367 6.172 1.00 0.00 O ATOM 979 CB LEU A 62 -0.215 4.865 4.421 1.00 0.00 C ATOM 980 CG LEU A 62 -0.255 3.420 3.915 1.00 0.00 C ATOM 981 CD1 LEU A 62 -1.444 2.672 4.501 1.00 0.00 C ATOM 982 CD2 LEU A 62 -0.310 3.391 2.394 1.00 0.00 C ATOM 0 H LEU A 62 -2.156 5.935 5.897 1.00 0.00 H new ATOM 0 HA LEU A 62 0.126 4.124 6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.054 5.408 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.696 5.337 4.052 1.00 0.00 H new ATOM 0 HG LEU A 62 0.657 2.921 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.450 1.648 4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.367 2.660 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.368 3.171 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.338 2.357 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.205 3.911 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.573 3.884 1.989 1.00 0.00 H new ATOM 994 N ASP A 63 1.755 5.905 6.952 1.00 0.00 N ATOM 995 CA ASP A 63 2.678 6.938 7.406 1.00 0.00 C ATOM 996 C ASP A 63 3.920 6.981 6.522 1.00 0.00 C ATOM 997 O ASP A 63 4.372 5.953 6.018 1.00 0.00 O ATOM 998 CB ASP A 63 3.080 6.688 8.861 1.00 0.00 C ATOM 999 CG ASP A 63 1.893 6.724 9.804 1.00 0.00 C ATOM 1000 OD1 ASP A 63 1.226 5.680 9.960 1.00 0.00 O ATOM 1001 OD2 ASP A 63 1.631 7.797 10.387 1.00 0.00 O ATOM 0 H ASP A 63 2.074 4.951 7.122 1.00 0.00 H new ATOM 0 HA ASP A 63 2.171 7.901 7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.572 5.718 8.938 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.807 7.439 9.168 1.00 0.00 H new ATOM 1006 N ARG A 64 4.466 8.179 6.338 1.00 0.00 N ATOM 1007 CA ARG A 64 5.657 8.362 5.516 1.00 0.00 C ATOM 1008 C ARG A 64 6.844 7.605 6.104 1.00 0.00 C ATOM 1009 O ARG A 64 7.177 7.771 7.278 1.00 0.00 O ATOM 1010 CB ARG A 64 5.994 9.849 5.397 1.00 0.00 C ATOM 1011 CG ARG A 64 4.907 10.668 4.719 1.00 0.00 C ATOM 1012 CD ARG A 64 5.229 12.153 4.748 1.00 0.00 C ATOM 1013 NE ARG A 64 5.296 12.673 6.111 1.00 0.00 N ATOM 1014 CZ ARG A 64 5.891 13.816 6.438 1.00 0.00 C ATOM 1015 NH1 ARG A 64 6.479 14.553 5.505 1.00 0.00 N ATOM 1016 NH2 ARG A 64 5.901 14.221 7.701 1.00 0.00 N ATOM 0 H ARG A 64 4.102 9.039 6.748 1.00 0.00 H new ATOM 0 HA ARG A 64 5.450 7.962 4.523 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.173 10.253 6.393 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.923 9.959 4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.793 10.339 3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.953 10.492 5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.181 12.327 4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.470 12.699 4.189 1.00 0.00 H new ATOM 0 HE ARG A 64 4.861 12.128 6.855 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.476 14.243 4.533 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.935 15.429 5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.452 13.655 8.421 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.358 15.098 7.952 1.00 0.00 H new ATOM 1030 N ARG A 65 7.478 6.775 5.282 1.00 0.00 N ATOM 1031 CA ARG A 65 8.627 5.993 5.722 1.00 0.00 C ATOM 1032 C ARG A 65 9.672 5.895 4.615 1.00 0.00 C ATOM 1033 O ARG A 65 9.338 5.675 3.451 1.00 0.00 O ATOM 1034 CB ARG A 65 8.181 4.593 6.148 1.00 0.00 C ATOM 1035 CG ARG A 65 9.231 3.833 6.941 1.00 0.00 C ATOM 1036 CD ARG A 65 8.708 2.482 7.403 1.00 0.00 C ATOM 1037 NE ARG A 65 9.624 1.829 8.336 1.00 0.00 N ATOM 1038 CZ ARG A 65 9.255 0.871 9.181 1.00 0.00 C ATOM 1039 NH1 ARG A 65 7.997 0.450 9.205 1.00 0.00 N ATOM 1040 NH2 ARG A 65 10.145 0.329 10.002 1.00 0.00 N ATOM 0 H ARG A 65 7.215 6.627 4.308 1.00 0.00 H new ATOM 0 HA ARG A 65 9.077 6.498 6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.275 4.677 6.748 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.922 4.017 5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.120 3.690 6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.533 4.423 7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.737 2.613 7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.553 1.838 6.537 1.00 0.00 H new ATOM 0 HE ARG A 65 10.600 2.124 8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.309 0.861 8.574 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.718 -0.285 9.855 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.114 0.647 9.986 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.860 -0.406 10.650 1.00 0.00 H new ATOM 1054 N LEU A 66 10.939 6.061 4.987 1.00 0.00 N ATOM 1055 CA LEU A 66 12.035 5.995 4.025 1.00 0.00 C ATOM 1056 C LEU A 66 12.864 4.729 4.218 1.00 0.00 C ATOM 1057 O LEU A 66 13.052 4.260 5.341 1.00 0.00 O ATOM 1058 CB LEU A 66 12.925 7.237 4.147 1.00 0.00 C ATOM 1059 CG LEU A 66 13.430 7.549 5.558 1.00 0.00 C ATOM 1060 CD1 LEU A 66 14.737 6.822 5.838 1.00 0.00 C ATOM 1061 CD2 LEU A 66 13.604 9.049 5.738 1.00 0.00 C ATOM 0 H LEU A 66 11.232 6.242 5.947 1.00 0.00 H new ATOM 0 HA LEU A 66 11.603 5.965 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.786 7.111 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.368 8.099 3.780 1.00 0.00 H new ATOM 0 HG LEU A 66 12.687 7.197 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.076 7.059 6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.581 5.747 5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.491 7.139 5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.964 9.255 6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 66 14.327 9.421 5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.647 9.547 5.585 1.00 0.00 H new ATOM 1073 N LYS A 67 13.349 4.175 3.111 1.00 0.00 N ATOM 1074 CA LYS A 67 14.160 2.963 3.149 1.00 0.00 C ATOM 1075 C LYS A 67 15.638 3.304 3.318 1.00 0.00 C ATOM 1076 O LYS A 67 16.051 4.443 3.102 1.00 0.00 O ATOM 1077 CB LYS A 67 13.956 2.135 1.874 1.00 0.00 C ATOM 1078 CG LYS A 67 14.444 2.815 0.602 1.00 0.00 C ATOM 1079 CD LYS A 67 13.422 3.803 0.060 1.00 0.00 C ATOM 1080 CE LYS A 67 13.884 4.422 -1.250 1.00 0.00 C ATOM 1081 NZ LYS A 67 12.930 5.452 -1.745 1.00 0.00 N ATOM 0 H LYS A 67 13.194 4.547 2.174 1.00 0.00 H new ATOM 0 HA LYS A 67 13.839 2.372 4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.475 1.183 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.895 1.909 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.380 3.335 0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.656 2.060 -0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.469 3.296 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.250 4.590 0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.866 4.874 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.996 3.640 -2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.281 5.849 -2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.999 5.016 -1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.842 6.211 -1.040 1.00 0.00 H new ATOM 1095 N LEU A 68 16.428 2.307 3.706 1.00 0.00 N ATOM 1096 CA LEU A 68 17.860 2.497 3.905 1.00 0.00 C ATOM 1097 C LEU A 68 18.602 2.415 2.574 1.00 0.00 C ATOM 1098 O LEU A 68 18.817 3.476 1.951 1.00 0.00 O ATOM 1099 CB LEU A 68 18.401 1.445 4.880 1.00 0.00 C ATOM 1100 CG LEU A 68 19.709 1.815 5.588 1.00 0.00 C ATOM 1101 CD1 LEU A 68 19.944 0.899 6.779 1.00 0.00 C ATOM 1102 CD2 LEU A 68 20.885 1.743 4.625 1.00 0.00 C ATOM 1103 OXT LEU A 68 18.961 1.290 2.166 1.00 0.00 O ATOM 0 H LEU A 68 16.100 1.359 3.889 1.00 0.00 H new ATOM 0 HA LEU A 68 18.023 3.488 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 68 17.641 1.251 5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 68 18.554 0.514 4.335 1.00 0.00 H new ATOM 0 HG LEU A 68 19.624 2.841 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 68 20.877 1.174 7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 68 19.118 0.999 7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 68 20.006 -0.134 6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 68 21.802 2.010 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 68 20.973 0.730 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 68 20.724 2.438 3.801 1.00 0.00 H new TER 1115 LEU A 68