USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 608 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 2 GLN : amide:sc= 1.06 K(o=2.1,f=0.22!) USER MOD Set 1.2: A 81 THR OG1 : rot 43:sc= 1.06 USER MOD Set 2.1: A 65 HIS : no HE2:sc= -3.58 K(o=-3.3,f=-5.9!) USER MOD Set 2.2: A 71 SER OG : rot -81:sc= 0.314 USER MOD Single : A 1 MET CE :methyl -135:sc= -0.84 (180deg=-2.36!) USER MOD Single : A 1 MET N :NH3+ -166:sc=-0.00481 (180deg=-0.185) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -1 F(o=-2.4!,f=-1) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00188 USER MOD Single : A 9 GLN : amide:sc= -0.0693 X(o=-0.069,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0614 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.996 12.693 3.929 1.00 0.00 N ATOM 2 CA MET A 1 -0.299 11.423 4.279 1.00 0.00 C ATOM 3 C MET A 1 -0.889 10.848 5.564 1.00 0.00 C ATOM 4 O MET A 1 -0.334 10.996 6.635 1.00 0.00 O ATOM 5 CB MET A 1 1.191 11.694 4.479 1.00 0.00 C ATOM 6 CG MET A 1 1.840 11.963 3.123 1.00 0.00 C ATOM 7 SD MET A 1 3.608 12.277 3.352 1.00 0.00 S ATOM 8 CE MET A 1 3.988 12.702 1.634 1.00 0.00 C ATOM 0 H1 MET A 1 -0.767 12.956 2.949 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.024 12.562 4.021 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.685 13.448 4.572 1.00 0.00 H new ATOM 0 HA MET A 1 -0.432 10.706 3.469 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.332 12.550 5.139 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.667 10.839 4.960 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.694 11.109 2.462 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.366 12.820 2.645 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.903 12.194 1.327 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.166 12.388 0.991 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.125 13.780 1.548 1.00 0.00 H new ATOM 20 N GLN A 2 -2.004 10.184 5.465 1.00 0.00 N ATOM 21 CA GLN A 2 -2.624 9.589 6.680 1.00 0.00 C ATOM 22 C GLN A 2 -2.104 8.162 6.849 1.00 0.00 C ATOM 23 O GLN A 2 -2.131 7.371 5.927 1.00 0.00 O ATOM 24 CB GLN A 2 -4.145 9.563 6.517 1.00 0.00 C ATOM 25 CG GLN A 2 -4.670 10.995 6.401 1.00 0.00 C ATOM 26 CD GLN A 2 -6.188 10.970 6.216 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.753 9.950 5.874 1.00 0.00 O ATOM 28 NE2 GLN A 2 -6.877 12.057 6.430 1.00 0.00 N ATOM 0 H GLN A 2 -2.514 10.027 4.595 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.368 10.184 7.557 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.417 8.992 5.629 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.604 9.064 7.370 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.412 11.562 7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.199 11.499 5.557 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.403 12.913 6.717 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.890 12.051 6.310 1.00 0.00 H new ATOM 37 N HIS A 3 -1.621 7.825 8.013 1.00 0.00 N ATOM 38 CA HIS A 3 -1.093 6.448 8.218 1.00 0.00 C ATOM 39 C HIS A 3 -0.219 6.073 7.018 1.00 0.00 C ATOM 40 O HIS A 3 -0.158 4.930 6.608 1.00 0.00 O ATOM 41 CB HIS A 3 -2.264 5.468 8.342 1.00 0.00 C ATOM 42 CG HIS A 3 -2.565 5.229 9.796 1.00 0.00 C ATOM 43 ND1 HIS A 3 -2.717 4.074 10.524 1.00 0.00 N flip ATOM 44 CD2 HIS A 3 -2.747 6.271 10.695 1.00 0.00 C flip ATOM 45 CE1 HIS A 3 -2.988 4.394 11.849 1.00 0.00 C flip ATOM 46 NE2 HIS A 3 -2.996 5.727 11.902 1.00 0.00 N flip ATOM 0 H HIS A 3 -1.569 8.439 8.826 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.498 6.404 9.130 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.143 5.870 7.839 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.018 4.527 7.851 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.698 7.326 10.468 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.157 3.707 12.665 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.169 6.267 12.750 1.00 0.00 H new ATOM 55 N ALA A 4 0.457 7.035 6.449 1.00 0.00 N ATOM 56 CA ALA A 4 1.325 6.747 5.272 1.00 0.00 C ATOM 57 C ALA A 4 2.386 5.715 5.656 1.00 0.00 C ATOM 58 O ALA A 4 2.737 4.853 4.875 1.00 0.00 O ATOM 59 CB ALA A 4 2.012 8.038 4.821 1.00 0.00 C ATOM 0 H ALA A 4 0.445 8.010 6.750 1.00 0.00 H new ATOM 0 HA ALA A 4 0.715 6.353 4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.648 7.830 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.257 8.775 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.621 8.430 5.636 1.00 0.00 H new ATOM 65 N SER A 5 2.901 5.792 6.853 1.00 0.00 N ATOM 66 CA SER A 5 3.938 4.811 7.278 1.00 0.00 C ATOM 67 C SER A 5 3.337 3.405 7.287 1.00 0.00 C ATOM 68 O SER A 5 4.010 2.430 7.017 1.00 0.00 O ATOM 69 CB SER A 5 4.431 5.165 8.681 1.00 0.00 C ATOM 70 OG SER A 5 3.379 4.956 9.615 1.00 0.00 O ATOM 0 H SER A 5 2.649 6.490 7.553 1.00 0.00 H new ATOM 0 HA SER A 5 4.775 4.843 6.581 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.292 4.550 8.942 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.760 6.204 8.712 1.00 0.00 H new ATOM 0 HG SER A 5 3.692 5.180 10.516 1.00 0.00 H new ATOM 76 N VAL A 6 2.074 3.292 7.593 1.00 0.00 N ATOM 77 CA VAL A 6 1.431 1.948 7.615 1.00 0.00 C ATOM 78 C VAL A 6 1.386 1.381 6.198 1.00 0.00 C ATOM 79 O VAL A 6 1.576 0.204 5.987 1.00 0.00 O ATOM 80 CB VAL A 6 0.010 2.065 8.161 1.00 0.00 C ATOM 81 CG1 VAL A 6 -0.706 0.719 8.019 1.00 0.00 C ATOM 82 CG2 VAL A 6 0.060 2.462 9.638 1.00 0.00 C ATOM 0 H VAL A 6 1.460 4.072 7.829 1.00 0.00 H new ATOM 0 HA VAL A 6 2.010 1.283 8.256 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.532 2.826 7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.720 0.804 8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.744 0.436 6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.164 -0.042 8.580 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.955 2.545 10.027 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.603 1.703 10.201 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.567 3.421 9.740 1.00 0.00 H new ATOM 92 N ILE A 7 1.129 2.207 5.225 1.00 0.00 N ATOM 93 CA ILE A 7 1.069 1.704 3.825 1.00 0.00 C ATOM 94 C ILE A 7 2.419 1.085 3.451 1.00 0.00 C ATOM 95 O ILE A 7 2.492 -0.031 2.976 1.00 0.00 O ATOM 96 CB ILE A 7 0.764 2.868 2.883 1.00 0.00 C ATOM 97 CG1 ILE A 7 -0.579 3.492 3.269 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.692 2.356 1.443 1.00 0.00 C ATOM 99 CD1 ILE A 7 -0.799 4.772 2.462 1.00 0.00 C ATOM 0 H ILE A 7 0.958 3.206 5.337 1.00 0.00 H new ATOM 0 HA ILE A 7 0.286 0.950 3.739 1.00 0.00 H new ATOM 0 HB ILE A 7 1.552 3.617 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.388 2.786 3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.595 3.715 4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.474 3.187 0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.647 1.908 1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.097 1.608 1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.756 5.216 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.003 5.478 2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.802 4.535 1.398 1.00 0.00 H new ATOM 111 N ALA A 8 3.488 1.800 3.672 1.00 0.00 N ATOM 112 CA ALA A 8 4.835 1.253 3.341 1.00 0.00 C ATOM 113 C ALA A 8 5.121 0.041 4.225 1.00 0.00 C ATOM 114 O ALA A 8 5.562 -0.993 3.763 1.00 0.00 O ATOM 115 CB ALA A 8 5.897 2.326 3.590 1.00 0.00 C ATOM 0 H ALA A 8 3.487 2.740 4.068 1.00 0.00 H new ATOM 0 HA ALA A 8 4.859 0.954 2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.882 1.926 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.693 3.193 2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.874 2.624 4.638 1.00 0.00 H new ATOM 121 N GLN A 9 4.869 0.165 5.497 1.00 0.00 N ATOM 122 CA GLN A 9 5.119 -0.970 6.427 1.00 0.00 C ATOM 123 C GLN A 9 4.200 -2.136 6.067 1.00 0.00 C ATOM 124 O GLN A 9 4.612 -3.276 6.020 1.00 0.00 O ATOM 125 CB GLN A 9 4.824 -0.515 7.858 1.00 0.00 C ATOM 126 CG GLN A 9 5.168 -1.635 8.840 1.00 0.00 C ATOM 127 CD GLN A 9 4.033 -1.786 9.852 1.00 0.00 C ATOM 128 OE1 GLN A 9 4.226 -1.588 11.035 1.00 0.00 O ATOM 129 NE2 GLN A 9 2.845 -2.128 9.431 1.00 0.00 N ATOM 0 H GLN A 9 4.499 1.008 5.935 1.00 0.00 H new ATOM 0 HA GLN A 9 6.158 -1.290 6.346 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.404 0.377 8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.772 -0.245 7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.319 -2.571 8.303 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.102 -1.409 9.355 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.684 -2.294 8.438 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.078 -2.229 10.096 1.00 0.00 H new ATOM 138 N PHE A 10 2.957 -1.852 5.813 1.00 0.00 N ATOM 139 CA PHE A 10 1.994 -2.931 5.458 1.00 0.00 C ATOM 140 C PHE A 10 2.463 -3.633 4.185 1.00 0.00 C ATOM 141 O PHE A 10 2.508 -4.845 4.109 1.00 0.00 O ATOM 142 CB PHE A 10 0.616 -2.306 5.226 1.00 0.00 C ATOM 143 CG PHE A 10 -0.411 -3.389 5.009 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.010 -4.012 6.108 1.00 0.00 C ATOM 145 CD2 PHE A 10 -0.769 -3.763 3.709 1.00 0.00 C ATOM 146 CE1 PHE A 10 -1.969 -5.012 5.909 1.00 0.00 C ATOM 147 CE2 PHE A 10 -1.726 -4.764 3.509 1.00 0.00 C ATOM 148 CZ PHE A 10 -2.327 -5.388 4.609 1.00 0.00 C ATOM 0 H PHE A 10 2.562 -0.912 5.836 1.00 0.00 H new ATOM 0 HA PHE A 10 1.936 -3.660 6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.336 -1.694 6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.648 -1.645 4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.733 -3.722 7.111 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.307 -3.280 2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.432 -5.493 6.758 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.001 -5.055 2.506 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.067 -6.159 4.454 1.00 0.00 H new ATOM 158 N VAL A 11 2.816 -2.876 3.188 1.00 0.00 N ATOM 159 CA VAL A 11 3.289 -3.485 1.914 1.00 0.00 C ATOM 160 C VAL A 11 4.664 -4.120 2.134 1.00 0.00 C ATOM 161 O VAL A 11 4.924 -5.233 1.723 1.00 0.00 O ATOM 162 CB VAL A 11 3.395 -2.388 0.852 1.00 0.00 C ATOM 163 CG1 VAL A 11 3.865 -2.986 -0.476 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.025 -1.735 0.664 1.00 0.00 C ATOM 0 H VAL A 11 2.798 -1.856 3.199 1.00 0.00 H new ATOM 0 HA VAL A 11 2.588 -4.252 1.585 1.00 0.00 H new ATOM 0 HB VAL A 11 4.118 -1.640 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.937 -2.197 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.843 -3.449 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.150 -3.739 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.095 -0.953 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.305 -2.487 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.697 -1.299 1.608 1.00 0.00 H new ATOM 174 N VAL A 12 5.546 -3.409 2.778 1.00 0.00 N ATOM 175 CA VAL A 12 6.913 -3.944 3.032 1.00 0.00 C ATOM 176 C VAL A 12 6.836 -5.165 3.954 1.00 0.00 C ATOM 177 O VAL A 12 7.613 -6.091 3.836 1.00 0.00 O ATOM 178 CB VAL A 12 7.759 -2.853 3.685 1.00 0.00 C ATOM 179 CG1 VAL A 12 9.167 -3.383 3.960 1.00 0.00 C ATOM 180 CG2 VAL A 12 7.845 -1.647 2.747 1.00 0.00 C ATOM 0 H VAL A 12 5.377 -2.472 3.143 1.00 0.00 H new ATOM 0 HA VAL A 12 7.367 -4.248 2.089 1.00 0.00 H new ATOM 0 HB VAL A 12 7.297 -2.555 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.766 -2.600 4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.108 -4.242 4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.632 -3.685 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.449 -0.867 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.305 -1.950 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.843 -1.264 2.554 1.00 0.00 H new ATOM 190 N GLU A 13 5.918 -5.167 4.880 1.00 0.00 N ATOM 191 CA GLU A 13 5.808 -6.321 5.822 1.00 0.00 C ATOM 192 C GLU A 13 5.658 -7.626 5.042 1.00 0.00 C ATOM 193 O GLU A 13 6.133 -8.664 5.457 1.00 0.00 O ATOM 194 CB GLU A 13 4.589 -6.130 6.724 1.00 0.00 C ATOM 195 CG GLU A 13 4.526 -7.262 7.748 1.00 0.00 C ATOM 196 CD GLU A 13 3.255 -7.121 8.589 1.00 0.00 C ATOM 197 OE1 GLU A 13 2.496 -6.201 8.330 1.00 0.00 O ATOM 198 OE2 GLU A 13 3.063 -7.934 9.477 1.00 0.00 O ATOM 0 H GLU A 13 5.238 -4.421 5.027 1.00 0.00 H new ATOM 0 HA GLU A 13 6.713 -6.369 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.648 -5.168 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.679 -6.118 6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.533 -8.226 7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.405 -7.234 8.391 1.00 0.00 H new ATOM 205 N GLU A 14 5.000 -7.589 3.920 1.00 0.00 N ATOM 206 CA GLU A 14 4.823 -8.835 3.125 1.00 0.00 C ATOM 207 C GLU A 14 6.180 -9.316 2.603 1.00 0.00 C ATOM 208 O GLU A 14 6.406 -10.498 2.441 1.00 0.00 O ATOM 209 CB GLU A 14 3.884 -8.559 1.950 1.00 0.00 C ATOM 210 CG GLU A 14 2.483 -8.247 2.478 1.00 0.00 C ATOM 211 CD GLU A 14 1.528 -8.037 1.302 1.00 0.00 C ATOM 212 OE1 GLU A 14 2.005 -7.977 0.181 1.00 0.00 O ATOM 213 OE2 GLU A 14 0.336 -7.942 1.543 1.00 0.00 O ATOM 0 H GLU A 14 4.577 -6.752 3.519 1.00 0.00 H new ATOM 0 HA GLU A 14 4.392 -9.610 3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.257 -7.721 1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.850 -9.424 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.129 -9.065 3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.509 -7.354 3.103 1.00 0.00 H new ATOM 220 N PHE A 15 7.087 -8.413 2.339 1.00 0.00 N ATOM 221 CA PHE A 15 8.425 -8.831 1.828 1.00 0.00 C ATOM 222 C PHE A 15 9.524 -8.007 2.510 1.00 0.00 C ATOM 223 O PHE A 15 10.451 -7.547 1.874 1.00 0.00 O ATOM 224 CB PHE A 15 8.489 -8.607 0.314 1.00 0.00 C ATOM 225 CG PHE A 15 7.092 -8.483 -0.240 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.392 -9.626 -0.643 1.00 0.00 C ATOM 227 CD2 PHE A 15 6.497 -7.221 -0.354 1.00 0.00 C ATOM 228 CE1 PHE A 15 5.097 -9.508 -1.159 1.00 0.00 C ATOM 229 CE2 PHE A 15 5.203 -7.102 -0.870 1.00 0.00 C ATOM 230 CZ PHE A 15 4.502 -8.245 -1.272 1.00 0.00 C ATOM 0 H PHE A 15 6.960 -7.408 2.455 1.00 0.00 H new ATOM 0 HA PHE A 15 8.577 -9.888 2.049 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.059 -7.705 0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.008 -9.437 -0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.852 -10.599 -0.556 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.038 -6.339 -0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.557 -10.390 -1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.744 -6.128 -0.958 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.502 -8.153 -1.669 1.00 0.00 H new ATOM 240 N LEU A 16 9.434 -7.812 3.798 1.00 0.00 N ATOM 241 CA LEU A 16 10.481 -7.013 4.493 1.00 0.00 C ATOM 242 C LEU A 16 11.717 -7.884 4.755 1.00 0.00 C ATOM 243 O LEU A 16 11.610 -8.971 5.286 1.00 0.00 O ATOM 244 CB LEU A 16 9.924 -6.459 5.820 1.00 0.00 C ATOM 245 CG LEU A 16 10.262 -7.363 7.021 1.00 0.00 C ATOM 246 CD1 LEU A 16 9.701 -6.725 8.293 1.00 0.00 C ATOM 247 CD2 LEU A 16 9.631 -8.749 6.846 1.00 0.00 C ATOM 0 H LEU A 16 8.687 -8.168 4.394 1.00 0.00 H new ATOM 0 HA LEU A 16 10.772 -6.176 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.330 -5.462 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.842 -6.354 5.741 1.00 0.00 H new ATOM 0 HG LEU A 16 11.345 -7.471 7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.934 -7.357 9.150 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.149 -5.741 8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.620 -6.622 8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.881 -9.373 7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.548 -8.649 6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.015 -9.211 5.937 1.00 0.00 H new ATOM 259 N PRO A 17 12.892 -7.410 4.410 1.00 0.00 N ATOM 260 CA PRO A 17 14.149 -8.167 4.650 1.00 0.00 C ATOM 261 C PRO A 17 14.554 -8.076 6.125 1.00 0.00 C ATOM 262 O PRO A 17 13.719 -7.910 6.992 1.00 0.00 O ATOM 263 CB PRO A 17 15.167 -7.456 3.754 1.00 0.00 C ATOM 264 CG PRO A 17 14.681 -6.050 3.663 1.00 0.00 C ATOM 265 CD PRO A 17 13.160 -6.113 3.758 1.00 0.00 C ATOM 0 HA PRO A 17 14.063 -9.231 4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 17 16.169 -7.501 4.181 1.00 0.00 H new ATOM 0 HB3 PRO A 17 15.219 -7.921 2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 17 15.096 -5.443 4.468 1.00 0.00 H new ATOM 0 HG3 PRO A 17 14.993 -5.591 2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.763 -5.283 4.343 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.697 -6.059 2.773 1.00 0.00 H new ATOM 273 N ASP A 18 15.817 -8.166 6.423 1.00 0.00 N ATOM 274 CA ASP A 18 16.244 -8.064 7.844 1.00 0.00 C ATOM 275 C ASP A 18 16.197 -6.594 8.266 1.00 0.00 C ATOM 276 O ASP A 18 16.710 -6.216 9.301 1.00 0.00 O ATOM 277 CB ASP A 18 17.669 -8.594 7.990 1.00 0.00 C ATOM 278 CG ASP A 18 18.048 -8.641 9.472 1.00 0.00 C ATOM 279 OD1 ASP A 18 17.185 -8.377 10.292 1.00 0.00 O ATOM 280 OD2 ASP A 18 19.194 -8.941 9.760 1.00 0.00 O ATOM 0 H ASP A 18 16.569 -8.305 5.749 1.00 0.00 H new ATOM 0 HA ASP A 18 15.579 -8.653 8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 18 17.744 -9.590 7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 18 18.364 -7.954 7.446 1.00 0.00 H new ATOM 285 N VAL A 19 15.587 -5.761 7.460 1.00 0.00 N ATOM 286 CA VAL A 19 15.505 -4.309 7.795 1.00 0.00 C ATOM 287 C VAL A 19 14.050 -3.920 8.061 1.00 0.00 C ATOM 288 O VAL A 19 13.153 -4.307 7.338 1.00 0.00 O ATOM 289 CB VAL A 19 16.031 -3.490 6.617 1.00 0.00 C ATOM 290 CG1 VAL A 19 16.086 -2.011 7.004 1.00 0.00 C ATOM 291 CG2 VAL A 19 17.435 -3.972 6.245 1.00 0.00 C ATOM 0 H VAL A 19 15.141 -6.027 6.582 1.00 0.00 H new ATOM 0 HA VAL A 19 16.103 -4.111 8.685 1.00 0.00 H new ATOM 0 HB VAL A 19 15.365 -3.617 5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 19 16.461 -1.428 6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 19 15.086 -1.666 7.267 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.750 -1.883 7.859 1.00 0.00 H new ATOM 0 HG21 VAL A 19 17.810 -3.387 5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.101 -3.847 7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 19 17.396 -5.025 5.966 1.00 0.00 H new ATOM 301 N ALA A 20 13.807 -3.148 9.084 1.00 0.00 N ATOM 302 CA ALA A 20 12.409 -2.729 9.379 1.00 0.00 C ATOM 303 C ALA A 20 11.964 -1.700 8.325 1.00 0.00 C ATOM 304 O ALA A 20 12.734 -0.838 7.950 1.00 0.00 O ATOM 305 CB ALA A 20 12.354 -2.087 10.768 1.00 0.00 C ATOM 0 H ALA A 20 14.514 -2.790 9.726 1.00 0.00 H new ATOM 0 HA ALA A 20 11.749 -3.596 9.353 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.331 -1.779 10.986 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.683 -2.809 11.516 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.008 -1.215 10.792 1.00 0.00 H new ATOM 311 N PRO A 21 10.739 -1.768 7.848 1.00 0.00 N ATOM 312 CA PRO A 21 10.234 -0.798 6.830 1.00 0.00 C ATOM 313 C PRO A 21 10.538 0.652 7.218 1.00 0.00 C ATOM 314 O PRO A 21 10.743 1.502 6.374 1.00 0.00 O ATOM 315 CB PRO A 21 8.724 -1.029 6.818 1.00 0.00 C ATOM 316 CG PRO A 21 8.529 -2.429 7.295 1.00 0.00 C ATOM 317 CD PRO A 21 9.710 -2.762 8.207 1.00 0.00 C ATOM 0 HA PRO A 21 10.707 -0.951 5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.214 -0.319 7.468 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.315 -0.895 5.817 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.587 -2.524 7.835 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.486 -3.120 6.453 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.434 -2.687 9.259 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.065 -3.779 8.043 1.00 0.00 H new ATOM 325 N ALA A 22 10.577 0.937 8.489 1.00 0.00 N ATOM 326 CA ALA A 22 10.876 2.327 8.934 1.00 0.00 C ATOM 327 C ALA A 22 12.314 2.679 8.551 1.00 0.00 C ATOM 328 O ALA A 22 12.673 3.833 8.426 1.00 0.00 O ATOM 329 CB ALA A 22 10.714 2.421 10.452 1.00 0.00 C ATOM 0 H ALA A 22 10.415 0.267 9.240 1.00 0.00 H new ATOM 0 HA ALA A 22 10.188 3.023 8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.933 3.438 10.779 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.691 2.164 10.725 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.403 1.728 10.935 1.00 0.00 H new ATOM 335 N ASP A 23 13.139 1.686 8.363 1.00 0.00 N ATOM 336 CA ASP A 23 14.556 1.945 7.987 1.00 0.00 C ATOM 337 C ASP A 23 14.716 1.758 6.479 1.00 0.00 C ATOM 338 O ASP A 23 15.810 1.787 5.951 1.00 0.00 O ATOM 339 CB ASP A 23 15.469 0.964 8.725 1.00 0.00 C ATOM 340 CG ASP A 23 15.431 1.260 10.225 1.00 0.00 C ATOM 341 OD1 ASP A 23 14.915 2.304 10.590 1.00 0.00 O ATOM 342 OD2 ASP A 23 15.917 0.439 10.984 1.00 0.00 O ATOM 0 H ASP A 23 12.890 0.701 8.454 1.00 0.00 H new ATOM 0 HA ASP A 23 14.828 2.964 8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.147 -0.060 8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.490 1.050 8.352 1.00 0.00 H new ATOM 347 N VAL A 24 13.630 1.571 5.783 1.00 0.00 N ATOM 348 CA VAL A 24 13.711 1.387 4.310 1.00 0.00 C ATOM 349 C VAL A 24 13.390 2.716 3.632 1.00 0.00 C ATOM 350 O VAL A 24 12.491 3.427 4.034 1.00 0.00 O ATOM 351 CB VAL A 24 12.701 0.327 3.867 1.00 0.00 C ATOM 352 CG1 VAL A 24 12.827 0.101 2.359 1.00 0.00 C ATOM 353 CG2 VAL A 24 12.986 -0.985 4.602 1.00 0.00 C ATOM 0 H VAL A 24 12.688 1.538 6.173 1.00 0.00 H new ATOM 0 HA VAL A 24 14.713 1.060 4.032 1.00 0.00 H new ATOM 0 HB VAL A 24 11.692 0.666 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.107 -0.654 2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.628 1.035 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.836 -0.239 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.267 -1.742 4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.995 -1.323 4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.899 -0.826 5.677 1.00 0.00 H new ATOM 363 N ASP A 25 14.123 3.067 2.615 1.00 0.00 N ATOM 364 CA ASP A 25 13.860 4.359 1.930 1.00 0.00 C ATOM 365 C ASP A 25 12.489 4.314 1.255 1.00 0.00 C ATOM 366 O ASP A 25 12.358 3.906 0.118 1.00 0.00 O ATOM 367 CB ASP A 25 14.940 4.605 0.874 1.00 0.00 C ATOM 368 CG ASP A 25 16.289 4.817 1.563 1.00 0.00 C ATOM 369 OD1 ASP A 25 16.294 5.003 2.769 1.00 0.00 O ATOM 370 OD2 ASP A 25 17.295 4.790 0.873 1.00 0.00 O ATOM 0 H ASP A 25 14.891 2.517 2.230 1.00 0.00 H new ATOM 0 HA ASP A 25 13.875 5.166 2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.997 3.756 0.193 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.685 5.479 0.274 1.00 0.00 H new ATOM 375 N VAL A 26 11.466 4.741 1.946 1.00 0.00 N ATOM 376 CA VAL A 26 10.103 4.733 1.340 1.00 0.00 C ATOM 377 C VAL A 26 10.095 5.620 0.092 1.00 0.00 C ATOM 378 O VAL A 26 9.069 5.829 -0.526 1.00 0.00 O ATOM 379 CB VAL A 26 9.094 5.273 2.354 1.00 0.00 C ATOM 380 CG1 VAL A 26 9.150 4.431 3.630 1.00 0.00 C ATOM 381 CG2 VAL A 26 9.439 6.726 2.689 1.00 0.00 C ATOM 0 H VAL A 26 11.515 5.094 2.902 1.00 0.00 H new ATOM 0 HA VAL A 26 9.833 3.714 1.064 1.00 0.00 H new ATOM 0 HB VAL A 26 8.091 5.223 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.430 4.817 4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.907 3.395 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.153 4.480 4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.721 7.113 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.442 6.773 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.400 7.328 1.781 1.00 0.00 H new ATOM 391 N ASP A 27 11.233 6.134 -0.290 1.00 0.00 N ATOM 392 CA ASP A 27 11.293 6.994 -1.504 1.00 0.00 C ATOM 393 C ASP A 27 11.468 6.099 -2.732 1.00 0.00 C ATOM 394 O ASP A 27 11.621 6.568 -3.842 1.00 0.00 O ATOM 395 CB ASP A 27 12.481 7.953 -1.396 1.00 0.00 C ATOM 396 CG ASP A 27 12.239 8.939 -0.252 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.116 9.002 0.222 1.00 0.00 O ATOM 398 OD2 ASP A 27 13.180 9.615 0.131 1.00 0.00 O ATOM 0 H ASP A 27 12.124 5.995 0.187 1.00 0.00 H new ATOM 0 HA ASP A 27 10.374 7.573 -1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.399 7.393 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.613 8.493 -2.334 1.00 0.00 H new ATOM 403 N LEU A 28 11.443 4.809 -2.534 1.00 0.00 N ATOM 404 CA LEU A 28 11.605 3.870 -3.679 1.00 0.00 C ATOM 405 C LEU A 28 10.234 3.543 -4.257 1.00 0.00 C ATOM 406 O LEU A 28 9.298 3.255 -3.537 1.00 0.00 O ATOM 407 CB LEU A 28 12.269 2.581 -3.193 1.00 0.00 C ATOM 408 CG LEU A 28 12.548 1.660 -4.386 1.00 0.00 C ATOM 409 CD1 LEU A 28 13.677 2.241 -5.242 1.00 0.00 C ATOM 410 CD2 LEU A 28 12.960 0.278 -3.874 1.00 0.00 C ATOM 0 H LEU A 28 11.317 4.364 -1.625 1.00 0.00 H new ATOM 0 HA LEU A 28 12.227 4.333 -4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.200 2.813 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.622 2.076 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 28 11.646 1.576 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.869 1.581 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.386 3.225 -5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.581 2.331 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.159 -0.379 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.860 0.369 -3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.155 -0.141 -3.271 1.00 0.00 H new ATOM 422 N ASP A 29 10.103 3.582 -5.551 1.00 0.00 N ATOM 423 CA ASP A 29 8.788 3.269 -6.160 1.00 0.00 C ATOM 424 C ASP A 29 8.428 1.822 -5.834 1.00 0.00 C ATOM 425 O ASP A 29 9.159 0.903 -6.147 1.00 0.00 O ATOM 426 CB ASP A 29 8.863 3.454 -7.677 1.00 0.00 C ATOM 427 CG ASP A 29 9.078 4.934 -8.000 1.00 0.00 C ATOM 428 OD1 ASP A 29 8.917 5.746 -7.104 1.00 0.00 O ATOM 429 OD2 ASP A 29 9.400 5.231 -9.139 1.00 0.00 O ATOM 0 H ASP A 29 10.847 3.816 -6.209 1.00 0.00 H new ATOM 0 HA ASP A 29 8.027 3.939 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.679 2.859 -8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.944 3.099 -8.143 1.00 0.00 H new ATOM 434 N LEU A 30 7.312 1.612 -5.197 1.00 0.00 N ATOM 435 CA LEU A 30 6.913 0.225 -4.839 1.00 0.00 C ATOM 436 C LEU A 30 6.850 -0.626 -6.107 1.00 0.00 C ATOM 437 O LEU A 30 6.661 -1.825 -6.051 1.00 0.00 O ATOM 438 CB LEU A 30 5.535 0.224 -4.167 1.00 0.00 C ATOM 439 CG LEU A 30 5.448 1.370 -3.152 1.00 0.00 C ATOM 440 CD1 LEU A 30 4.969 2.656 -3.838 1.00 0.00 C ATOM 441 CD2 LEU A 30 4.457 0.992 -2.047 1.00 0.00 C ATOM 0 H LEU A 30 6.659 2.341 -4.909 1.00 0.00 H new ATOM 0 HA LEU A 30 7.648 -0.186 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.754 0.333 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.365 -0.730 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 30 6.437 1.541 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.912 3.460 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.671 2.932 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.983 2.491 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.392 1.804 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.474 0.816 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.799 0.086 -1.546 1.00 0.00 H new ATOM 453 N VAL A 31 6.998 -0.017 -7.252 1.00 0.00 N ATOM 454 CA VAL A 31 6.935 -0.800 -8.516 1.00 0.00 C ATOM 455 C VAL A 31 7.869 -2.003 -8.407 1.00 0.00 C ATOM 456 O VAL A 31 7.540 -3.096 -8.824 1.00 0.00 O ATOM 457 CB VAL A 31 7.366 0.079 -9.691 1.00 0.00 C ATOM 458 CG1 VAL A 31 7.588 -0.794 -10.927 1.00 0.00 C ATOM 459 CG2 VAL A 31 6.270 1.104 -9.985 1.00 0.00 C ATOM 0 H VAL A 31 7.159 0.984 -7.366 1.00 0.00 H new ATOM 0 HA VAL A 31 5.913 -1.142 -8.682 1.00 0.00 H new ATOM 0 HB VAL A 31 8.292 0.595 -9.439 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.895 -0.168 -11.764 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.366 -1.528 -10.719 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.661 -1.309 -11.180 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.574 1.732 -10.822 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.345 0.585 -10.238 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.108 1.726 -9.105 1.00 0.00 H new ATOM 469 N ASP A 32 9.024 -1.818 -7.835 1.00 0.00 N ATOM 470 CA ASP A 32 9.962 -2.964 -7.686 1.00 0.00 C ATOM 471 C ASP A 32 9.229 -4.079 -6.943 1.00 0.00 C ATOM 472 O ASP A 32 9.388 -5.249 -7.230 1.00 0.00 O ATOM 473 CB ASP A 32 11.189 -2.527 -6.881 1.00 0.00 C ATOM 474 CG ASP A 32 12.001 -1.519 -7.696 1.00 0.00 C ATOM 475 OD1 ASP A 32 11.724 -1.380 -8.876 1.00 0.00 O ATOM 476 OD2 ASP A 32 12.885 -0.902 -7.126 1.00 0.00 O ATOM 0 H ASP A 32 9.358 -0.928 -7.466 1.00 0.00 H new ATOM 0 HA ASP A 32 10.293 -3.313 -8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.878 -2.081 -5.937 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.804 -3.393 -6.637 1.00 0.00 H new ATOM 481 N ASN A 33 8.407 -3.711 -6.000 1.00 0.00 N ATOM 482 CA ASN A 33 7.628 -4.720 -5.237 1.00 0.00 C ATOM 483 C ASN A 33 6.350 -5.031 -6.010 1.00 0.00 C ATOM 484 O ASN A 33 5.406 -5.581 -5.479 1.00 0.00 O ATOM 485 CB ASN A 33 7.269 -4.165 -3.864 1.00 0.00 C ATOM 486 CG ASN A 33 8.547 -3.780 -3.124 1.00 0.00 C ATOM 487 OD1 ASN A 33 9.498 -4.536 -3.089 1.00 0.00 O ATOM 488 ND2 ASN A 33 8.610 -2.623 -2.535 1.00 0.00 N ATOM 0 H ASN A 33 8.242 -2.743 -5.724 1.00 0.00 H new ATOM 0 HA ASN A 33 8.220 -5.626 -5.108 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.620 -3.295 -3.969 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.714 -4.909 -3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.459 -2.347 -2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.810 -1.991 -2.566 1.00 0.00 H new ATOM 495 N GLY A 34 6.316 -4.659 -7.262 1.00 0.00 N ATOM 496 CA GLY A 34 5.107 -4.909 -8.094 1.00 0.00 C ATOM 497 C GLY A 34 4.573 -6.311 -7.812 1.00 0.00 C ATOM 498 O GLY A 34 3.458 -6.641 -8.156 1.00 0.00 O ATOM 0 H GLY A 34 7.081 -4.189 -7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.341 -4.166 -7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.353 -4.808 -9.151 1.00 0.00 H new ATOM 502 N VAL A 35 5.351 -7.141 -7.181 1.00 0.00 N ATOM 503 CA VAL A 35 4.860 -8.512 -6.880 1.00 0.00 C ATOM 504 C VAL A 35 3.506 -8.398 -6.176 1.00 0.00 C ATOM 505 O VAL A 35 2.607 -9.184 -6.400 1.00 0.00 O ATOM 506 CB VAL A 35 5.857 -9.224 -5.964 1.00 0.00 C ATOM 507 CG1 VAL A 35 5.243 -10.530 -5.457 1.00 0.00 C ATOM 508 CG2 VAL A 35 7.136 -9.532 -6.745 1.00 0.00 C ATOM 0 H VAL A 35 6.297 -6.933 -6.863 1.00 0.00 H new ATOM 0 HA VAL A 35 4.755 -9.084 -7.802 1.00 0.00 H new ATOM 0 HB VAL A 35 6.094 -8.581 -5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.954 -11.037 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.331 -10.312 -4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.006 -11.173 -6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.847 -10.039 -6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.899 -10.174 -7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.575 -8.602 -7.106 1.00 0.00 H new ATOM 518 N ILE A 36 3.359 -7.419 -5.326 1.00 0.00 N ATOM 519 CA ILE A 36 2.071 -7.236 -4.598 1.00 0.00 C ATOM 520 C ILE A 36 0.989 -6.746 -5.562 1.00 0.00 C ATOM 521 O ILE A 36 -0.189 -6.912 -5.327 1.00 0.00 O ATOM 522 CB ILE A 36 2.256 -6.179 -3.512 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.213 -6.388 -2.417 1.00 0.00 C ATOM 524 CG2 ILE A 36 2.069 -4.790 -4.123 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.327 -5.271 -1.379 1.00 0.00 C ATOM 0 H ILE A 36 4.081 -6.733 -5.103 1.00 0.00 H new ATOM 0 HA ILE A 36 1.773 -8.189 -4.162 1.00 0.00 H new ATOM 0 HB ILE A 36 3.256 -6.265 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.213 -6.395 -2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.361 -7.357 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.200 -4.032 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.806 -4.637 -4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.067 -4.709 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.581 -5.422 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.323 -5.285 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.158 -4.308 -1.861 1.00 0.00 H new ATOM 537 N ASP A 37 1.380 -6.113 -6.626 1.00 0.00 N ATOM 538 CA ASP A 37 0.377 -5.575 -7.590 1.00 0.00 C ATOM 539 C ASP A 37 -0.489 -6.699 -8.163 1.00 0.00 C ATOM 540 O ASP A 37 -1.623 -6.474 -8.536 1.00 0.00 O ATOM 541 CB ASP A 37 1.090 -4.857 -8.738 1.00 0.00 C ATOM 542 CG ASP A 37 1.825 -3.629 -8.196 1.00 0.00 C ATOM 543 OD1 ASP A 37 1.562 -3.258 -7.064 1.00 0.00 O ATOM 544 OD2 ASP A 37 2.637 -3.081 -8.923 1.00 0.00 O ATOM 0 H ASP A 37 2.354 -5.942 -6.875 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.264 -4.874 -7.055 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.796 -5.533 -9.221 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.368 -4.556 -9.497 1.00 0.00 H new ATOM 549 N SER A 38 0.030 -7.895 -8.265 1.00 0.00 N ATOM 550 CA SER A 38 -0.783 -9.003 -8.850 1.00 0.00 C ATOM 551 C SER A 38 -1.114 -10.068 -7.800 1.00 0.00 C ATOM 552 O SER A 38 -2.262 -10.287 -7.474 1.00 0.00 O ATOM 553 CB SER A 38 0.006 -9.647 -9.990 1.00 0.00 C ATOM 554 OG SER A 38 0.630 -8.620 -10.769 1.00 0.00 O ATOM 0 H SER A 38 0.973 -8.151 -7.972 1.00 0.00 H new ATOM 0 HA SER A 38 -1.721 -8.587 -9.218 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.760 -10.325 -9.589 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.658 -10.243 -10.617 1.00 0.00 H new ATOM 0 HG SER A 38 1.139 -9.028 -11.501 1.00 0.00 H new ATOM 559 N LEU A 39 -0.131 -10.750 -7.287 1.00 0.00 N ATOM 560 CA LEU A 39 -0.415 -11.817 -6.286 1.00 0.00 C ATOM 561 C LEU A 39 -0.926 -11.205 -4.983 1.00 0.00 C ATOM 562 O LEU A 39 -1.945 -11.604 -4.454 1.00 0.00 O ATOM 563 CB LEU A 39 0.867 -12.604 -6.012 1.00 0.00 C ATOM 564 CG LEU A 39 0.560 -13.812 -5.122 1.00 0.00 C ATOM 565 CD1 LEU A 39 1.395 -15.008 -5.582 1.00 0.00 C ATOM 566 CD2 LEU A 39 0.914 -13.482 -3.669 1.00 0.00 C ATOM 0 H LEU A 39 0.854 -10.617 -7.515 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.182 -12.482 -6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.307 -12.937 -6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.601 -11.961 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.501 -14.053 -5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.177 -15.869 -4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.149 -15.247 -6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.454 -14.762 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.695 -14.342 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.975 -13.241 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.325 -12.628 -3.336 1.00 0.00 H new ATOM 578 N GLY A 40 -0.223 -10.248 -4.458 1.00 0.00 N ATOM 579 CA GLY A 40 -0.657 -9.613 -3.184 1.00 0.00 C ATOM 580 C GLY A 40 -1.911 -8.770 -3.409 1.00 0.00 C ATOM 581 O GLY A 40 -2.773 -8.685 -2.558 1.00 0.00 O ATOM 0 H GLY A 40 0.638 -9.874 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.857 -10.381 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.144 -8.987 -2.791 1.00 0.00 H new ATOM 585 N LEU A 41 -2.012 -8.128 -4.538 1.00 0.00 N ATOM 586 CA LEU A 41 -3.201 -7.273 -4.801 1.00 0.00 C ATOM 587 C LEU A 41 -4.466 -8.118 -4.697 1.00 0.00 C ATOM 588 O LEU A 41 -5.458 -7.699 -4.136 1.00 0.00 O ATOM 589 CB LEU A 41 -3.097 -6.678 -6.207 1.00 0.00 C ATOM 590 CG LEU A 41 -4.219 -5.659 -6.422 1.00 0.00 C ATOM 591 CD1 LEU A 41 -3.800 -4.305 -5.850 1.00 0.00 C ATOM 592 CD2 LEU A 41 -4.497 -5.512 -7.920 1.00 0.00 C ATOM 0 H LEU A 41 -1.323 -8.158 -5.290 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.242 -6.468 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.127 -6.198 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.164 -7.470 -6.953 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.120 -6.004 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.600 -3.581 -6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.603 -4.406 -4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.897 -3.961 -6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.296 -4.786 -8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.594 -5.169 -8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.799 -6.476 -8.330 1.00 0.00 H new ATOM 604 N LEU A 42 -4.441 -9.309 -5.218 1.00 0.00 N ATOM 605 CA LEU A 42 -5.649 -10.170 -5.125 1.00 0.00 C ATOM 606 C LEU A 42 -5.913 -10.493 -3.657 1.00 0.00 C ATOM 607 O LEU A 42 -7.032 -10.432 -3.187 1.00 0.00 O ATOM 608 CB LEU A 42 -5.414 -11.466 -5.901 1.00 0.00 C ATOM 609 CG LEU A 42 -5.313 -11.164 -7.394 1.00 0.00 C ATOM 610 CD1 LEU A 42 -4.993 -12.453 -8.153 1.00 0.00 C ATOM 611 CD2 LEU A 42 -6.645 -10.606 -7.883 1.00 0.00 C ATOM 0 H LEU A 42 -3.643 -9.722 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.508 -9.650 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.499 -11.947 -5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.230 -12.164 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.522 -10.434 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.921 -12.239 -9.219 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.045 -12.858 -7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.785 -13.182 -7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.579 -10.388 -8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.432 -11.340 -7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.877 -9.690 -7.339 1.00 0.00 H new ATOM 623 N LYS A 43 -4.887 -10.828 -2.925 1.00 0.00 N ATOM 624 CA LYS A 43 -5.074 -11.144 -1.485 1.00 0.00 C ATOM 625 C LYS A 43 -5.459 -9.872 -0.723 1.00 0.00 C ATOM 626 O LYS A 43 -6.264 -9.899 0.187 1.00 0.00 O ATOM 627 CB LYS A 43 -3.771 -11.704 -0.922 1.00 0.00 C ATOM 628 CG LYS A 43 -3.455 -13.041 -1.596 1.00 0.00 C ATOM 629 CD LYS A 43 -2.214 -13.659 -0.949 1.00 0.00 C ATOM 630 CE LYS A 43 -1.831 -14.936 -1.699 1.00 0.00 C ATOM 631 NZ LYS A 43 -0.762 -15.652 -0.946 1.00 0.00 N ATOM 0 H LYS A 43 -3.927 -10.896 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.869 -11.882 -1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.957 -10.999 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.857 -11.840 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.304 -13.718 -1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.286 -12.892 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.387 -12.949 -0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.411 -13.885 0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.704 -15.579 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.482 -14.691 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.501 -16.520 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.072 -15.037 -0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.111 -15.898 0.002 1.00 0.00 H new ATOM 645 N VAL A 44 -4.876 -8.760 -1.083 1.00 0.00 N ATOM 646 CA VAL A 44 -5.190 -7.483 -0.379 1.00 0.00 C ATOM 647 C VAL A 44 -6.652 -7.096 -0.606 1.00 0.00 C ATOM 648 O VAL A 44 -7.350 -6.708 0.308 1.00 0.00 O ATOM 649 CB VAL A 44 -4.283 -6.377 -0.920 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.724 -5.028 -0.350 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.838 -6.659 -0.503 1.00 0.00 C ATOM 0 H VAL A 44 -4.194 -8.681 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.023 -7.615 0.690 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.351 -6.349 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.077 -4.241 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.754 -4.828 -0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.656 -5.053 0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.188 -5.872 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.772 -6.686 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.523 -7.620 -0.909 1.00 0.00 H new ATOM 661 N ILE A 45 -7.121 -7.193 -1.816 1.00 0.00 N ATOM 662 CA ILE A 45 -8.535 -6.825 -2.097 1.00 0.00 C ATOM 663 C ILE A 45 -9.470 -7.741 -1.304 1.00 0.00 C ATOM 664 O ILE A 45 -10.448 -7.300 -0.735 1.00 0.00 O ATOM 665 CB ILE A 45 -8.802 -6.975 -3.598 1.00 0.00 C ATOM 666 CG1 ILE A 45 -8.608 -5.623 -4.292 1.00 0.00 C ATOM 667 CG2 ILE A 45 -10.235 -7.459 -3.825 1.00 0.00 C ATOM 668 CD1 ILE A 45 -7.275 -5.001 -3.867 1.00 0.00 C ATOM 0 H ILE A 45 -6.586 -7.512 -2.624 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.716 -5.792 -1.799 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.105 -7.703 -4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.629 -5.754 -5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.429 -4.953 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.419 -7.564 -4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.375 -8.423 -3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.934 -6.735 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.146 -4.040 -4.366 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.271 -4.853 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.458 -5.667 -4.145 1.00 0.00 H new ATOM 680 N ALA A 46 -9.181 -9.012 -1.268 1.00 0.00 N ATOM 681 CA ALA A 46 -10.056 -9.956 -0.517 1.00 0.00 C ATOM 682 C ALA A 46 -10.017 -9.631 0.979 1.00 0.00 C ATOM 683 O ALA A 46 -11.021 -9.675 1.661 1.00 0.00 O ATOM 684 CB ALA A 46 -9.556 -11.384 -0.737 1.00 0.00 C ATOM 0 H ALA A 46 -8.376 -9.439 -1.727 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.081 -9.860 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.192 -12.080 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.589 -11.621 -1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.531 -11.470 -0.377 1.00 0.00 H new ATOM 690 N TRP A 47 -8.864 -9.315 1.498 1.00 0.00 N ATOM 691 CA TRP A 47 -8.763 -8.991 2.949 1.00 0.00 C ATOM 692 C TRP A 47 -9.245 -7.561 3.204 1.00 0.00 C ATOM 693 O TRP A 47 -9.998 -7.302 4.122 1.00 0.00 O ATOM 694 CB TRP A 47 -7.307 -9.132 3.395 1.00 0.00 C ATOM 695 CG TRP A 47 -7.011 -8.138 4.472 1.00 0.00 C ATOM 696 CD1 TRP A 47 -7.206 -8.339 5.795 1.00 0.00 C ATOM 697 CD2 TRP A 47 -6.466 -6.795 4.339 1.00 0.00 C ATOM 698 NE1 TRP A 47 -6.813 -7.203 6.482 1.00 0.00 N ATOM 699 CE2 TRP A 47 -6.350 -6.224 5.626 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.066 -6.025 3.234 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -5.851 -4.933 5.811 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -5.565 -4.728 3.414 1.00 0.00 C ATOM 703 CH2 TRP A 47 -5.457 -4.183 4.699 1.00 0.00 C ATOM 0 H TRP A 47 -7.986 -9.267 0.980 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.390 -9.679 3.517 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.125 -10.143 3.760 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.640 -8.974 2.548 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.603 -9.238 6.242 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.860 -7.102 7.496 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.145 -6.435 2.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.770 -4.518 6.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.261 -4.146 2.557 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.069 -3.184 4.831 1.00 0.00 H new ATOM 714 N LEU A 48 -8.792 -6.628 2.413 1.00 0.00 N ATOM 715 CA LEU A 48 -9.192 -5.208 2.617 1.00 0.00 C ATOM 716 C LEU A 48 -10.710 -5.050 2.494 1.00 0.00 C ATOM 717 O LEU A 48 -11.331 -4.362 3.280 1.00 0.00 O ATOM 718 CB LEU A 48 -8.506 -4.347 1.556 1.00 0.00 C ATOM 719 CG LEU A 48 -8.720 -2.872 1.865 1.00 0.00 C ATOM 720 CD1 LEU A 48 -7.603 -2.395 2.785 1.00 0.00 C ATOM 721 CD2 LEU A 48 -8.688 -2.074 0.561 1.00 0.00 C ATOM 0 H LEU A 48 -8.159 -6.789 1.630 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.891 -4.893 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.439 -4.570 1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.907 -4.582 0.570 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.684 -2.727 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.746 -1.339 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.622 -2.972 3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.641 -2.532 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.841 -1.017 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.721 -2.209 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.479 -2.427 -0.101 1.00 0.00 H new ATOM 733 N GLU A 49 -11.318 -5.673 1.523 1.00 0.00 N ATOM 734 CA GLU A 49 -12.791 -5.537 1.379 1.00 0.00 C ATOM 735 C GLU A 49 -13.466 -6.183 2.587 1.00 0.00 C ATOM 736 O GLU A 49 -14.436 -5.679 3.118 1.00 0.00 O ATOM 737 CB GLU A 49 -13.239 -6.240 0.097 1.00 0.00 C ATOM 738 CG GLU A 49 -12.871 -7.718 0.175 1.00 0.00 C ATOM 739 CD GLU A 49 -14.058 -8.519 0.715 1.00 0.00 C ATOM 740 OE1 GLU A 49 -14.950 -7.911 1.285 1.00 0.00 O ATOM 741 OE2 GLU A 49 -14.056 -9.727 0.550 1.00 0.00 O ATOM 0 H GLU A 49 -10.862 -6.265 0.829 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.068 -4.484 1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.315 -6.128 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.762 -5.780 -0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.591 -8.085 -0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.005 -7.853 0.822 1.00 0.00 H new ATOM 748 N ASP A 50 -12.948 -7.294 3.030 1.00 0.00 N ATOM 749 CA ASP A 50 -13.540 -7.980 4.210 1.00 0.00 C ATOM 750 C ASP A 50 -13.292 -7.148 5.471 1.00 0.00 C ATOM 751 O ASP A 50 -14.154 -7.005 6.315 1.00 0.00 O ATOM 752 CB ASP A 50 -12.877 -9.345 4.374 1.00 0.00 C ATOM 753 CG ASP A 50 -13.637 -10.162 5.421 1.00 0.00 C ATOM 754 OD1 ASP A 50 -14.665 -9.692 5.879 1.00 0.00 O ATOM 755 OD2 ASP A 50 -13.177 -11.244 5.746 1.00 0.00 O ATOM 0 H ASP A 50 -12.136 -7.758 2.623 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.613 -8.099 4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.869 -9.874 3.421 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.838 -9.222 4.678 1.00 0.00 H new ATOM 760 N ARG A 51 -12.109 -6.618 5.608 1.00 0.00 N ATOM 761 CA ARG A 51 -11.780 -5.812 6.818 1.00 0.00 C ATOM 762 C ARG A 51 -12.701 -4.593 6.924 1.00 0.00 C ATOM 763 O ARG A 51 -13.165 -4.254 7.994 1.00 0.00 O ATOM 764 CB ARG A 51 -10.326 -5.344 6.732 1.00 0.00 C ATOM 765 CG ARG A 51 -9.928 -4.665 8.044 1.00 0.00 C ATOM 766 CD ARG A 51 -8.486 -4.165 7.942 1.00 0.00 C ATOM 767 NE ARG A 51 -8.045 -3.643 9.267 1.00 0.00 N ATOM 768 CZ ARG A 51 -8.567 -2.546 9.743 1.00 0.00 C ATOM 769 NH1 ARG A 51 -9.479 -1.908 9.062 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.177 -2.088 10.901 1.00 0.00 N ATOM 0 H ARG A 51 -11.352 -6.709 4.931 1.00 0.00 H new ATOM 0 HA ARG A 51 -11.922 -6.433 7.702 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.671 -6.193 6.537 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.205 -4.650 5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.599 -3.832 8.253 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.023 -5.367 8.873 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.831 -4.975 7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.414 -3.381 7.188 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.335 -4.144 9.802 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.784 -2.267 8.157 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.887 -1.050 9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.465 -2.587 11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.585 -1.230 11.274 1.00 0.00 H new ATOM 784 N PHE A 52 -12.963 -3.923 5.832 1.00 0.00 N ATOM 785 CA PHE A 52 -13.841 -2.725 5.891 1.00 0.00 C ATOM 786 C PHE A 52 -15.217 -3.060 5.314 1.00 0.00 C ATOM 787 O PHE A 52 -16.131 -2.261 5.366 1.00 0.00 O ATOM 788 CB PHE A 52 -13.202 -1.604 5.073 1.00 0.00 C ATOM 789 CG PHE A 52 -11.908 -1.181 5.725 1.00 0.00 C ATOM 790 CD1 PHE A 52 -11.926 -0.286 6.801 1.00 0.00 C ATOM 791 CD2 PHE A 52 -10.689 -1.684 5.253 1.00 0.00 C ATOM 792 CE1 PHE A 52 -10.725 0.106 7.406 1.00 0.00 C ATOM 793 CE2 PHE A 52 -9.489 -1.292 5.857 1.00 0.00 C ATOM 794 CZ PHE A 52 -9.507 -0.397 6.934 1.00 0.00 C ATOM 0 H PHE A 52 -12.606 -4.156 4.905 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.960 -2.408 6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.014 -1.944 4.054 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.882 -0.755 5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -12.866 0.102 7.165 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.675 -2.375 4.423 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.739 0.796 8.237 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.549 -1.680 5.493 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.581 -0.095 7.400 1.00 0.00 H new ATOM 804 N GLY A 53 -15.375 -4.231 4.766 1.00 0.00 N ATOM 805 CA GLY A 53 -16.697 -4.603 4.191 1.00 0.00 C ATOM 806 C GLY A 53 -16.983 -3.723 2.974 1.00 0.00 C ATOM 807 O GLY A 53 -18.108 -3.338 2.725 1.00 0.00 O ATOM 0 H GLY A 53 -14.650 -4.944 4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.698 -5.654 3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.480 -4.476 4.938 1.00 0.00 H new ATOM 811 N ILE A 54 -15.972 -3.392 2.217 1.00 0.00 N ATOM 812 CA ILE A 54 -16.191 -2.526 1.023 1.00 0.00 C ATOM 813 C ILE A 54 -16.217 -3.390 -0.239 1.00 0.00 C ATOM 814 O ILE A 54 -15.317 -4.164 -0.490 1.00 0.00 O ATOM 815 CB ILE A 54 -15.047 -1.518 0.918 1.00 0.00 C ATOM 816 CG1 ILE A 54 -14.940 -0.732 2.226 1.00 0.00 C ATOM 817 CG2 ILE A 54 -15.321 -0.551 -0.235 1.00 0.00 C ATOM 818 CD1 ILE A 54 -13.619 0.037 2.249 1.00 0.00 C ATOM 0 H ILE A 54 -15.007 -3.683 2.373 1.00 0.00 H new ATOM 0 HA ILE A 54 -17.141 -2.001 1.124 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.113 -2.048 0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.778 -0.041 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.993 -1.411 3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -14.505 0.167 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -15.399 -1.110 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -16.255 -0.021 -0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.541 0.598 3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.788 -0.665 2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.585 0.727 1.406 1.00 0.00 H new ATOM 830 N ALA A 55 -17.240 -3.261 -1.038 1.00 0.00 N ATOM 831 CA ALA A 55 -17.319 -4.076 -2.283 1.00 0.00 C ATOM 832 C ALA A 55 -16.210 -3.648 -3.246 1.00 0.00 C ATOM 833 O ALA A 55 -15.901 -2.480 -3.373 1.00 0.00 O ATOM 834 CB ALA A 55 -18.681 -3.863 -2.946 1.00 0.00 C ATOM 0 H ALA A 55 -18.024 -2.627 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.196 -5.130 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -18.739 -4.459 -3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -19.471 -4.169 -2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -18.804 -2.809 -3.194 1.00 0.00 H new ATOM 840 N ALA A 56 -15.611 -4.585 -3.929 1.00 0.00 N ATOM 841 CA ALA A 56 -14.526 -4.231 -4.886 1.00 0.00 C ATOM 842 C ALA A 56 -15.105 -3.370 -6.011 1.00 0.00 C ATOM 843 O ALA A 56 -14.428 -2.538 -6.582 1.00 0.00 O ATOM 844 CB ALA A 56 -13.929 -5.509 -5.479 1.00 0.00 C ATOM 0 H ALA A 56 -15.826 -5.580 -3.865 1.00 0.00 H new ATOM 0 HA ALA A 56 -13.747 -3.676 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.135 -5.249 -6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.519 -6.125 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.707 -6.065 -6.003 1.00 0.00 H new ATOM 850 N ASP A 57 -16.354 -3.569 -6.332 1.00 0.00 N ATOM 851 CA ASP A 57 -16.993 -2.773 -7.419 1.00 0.00 C ATOM 852 C ASP A 57 -16.180 -2.905 -8.708 1.00 0.00 C ATOM 853 O ASP A 57 -16.000 -1.953 -9.440 1.00 0.00 O ATOM 854 CB ASP A 57 -17.061 -1.303 -7.006 1.00 0.00 C ATOM 855 CG ASP A 57 -17.990 -1.152 -5.800 1.00 0.00 C ATOM 856 OD1 ASP A 57 -18.716 -2.091 -5.515 1.00 0.00 O ATOM 857 OD2 ASP A 57 -17.960 -0.101 -5.181 1.00 0.00 O ATOM 0 H ASP A 57 -16.964 -4.254 -5.885 1.00 0.00 H new ATOM 0 HA ASP A 57 -18.001 -3.149 -7.591 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.064 -0.938 -6.758 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -17.425 -0.698 -7.836 1.00 0.00 H new ATOM 862 N ASP A 58 -15.699 -4.082 -8.999 1.00 0.00 N ATOM 863 CA ASP A 58 -14.910 -4.277 -10.248 1.00 0.00 C ATOM 864 C ASP A 58 -13.911 -3.129 -10.421 1.00 0.00 C ATOM 865 O ASP A 58 -13.893 -2.463 -11.438 1.00 0.00 O ATOM 866 CB ASP A 58 -15.858 -4.311 -11.445 1.00 0.00 C ATOM 867 CG ASP A 58 -15.079 -4.693 -12.704 1.00 0.00 C ATOM 868 OD1 ASP A 58 -13.907 -5.009 -12.579 1.00 0.00 O ATOM 869 OD2 ASP A 58 -15.667 -4.665 -13.773 1.00 0.00 O ATOM 0 H ASP A 58 -15.818 -4.917 -8.426 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.364 -5.218 -10.184 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -16.658 -5.030 -11.268 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -16.328 -3.337 -11.577 1.00 0.00 H new ATOM 874 N VAL A 59 -13.080 -2.891 -9.442 1.00 0.00 N ATOM 875 CA VAL A 59 -12.086 -1.784 -9.563 1.00 0.00 C ATOM 876 C VAL A 59 -10.701 -2.368 -9.854 1.00 0.00 C ATOM 877 O VAL A 59 -10.255 -3.287 -9.197 1.00 0.00 O ATOM 878 CB VAL A 59 -12.035 -0.995 -8.256 1.00 0.00 C ATOM 879 CG1 VAL A 59 -11.061 0.175 -8.403 1.00 0.00 C ATOM 880 CG2 VAL A 59 -13.428 -0.457 -7.928 1.00 0.00 C ATOM 0 H VAL A 59 -13.046 -3.413 -8.566 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.383 -1.123 -10.377 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.699 -1.650 -7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.025 0.738 -7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.067 -0.206 -8.635 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.396 0.829 -9.208 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -13.390 0.106 -6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -13.764 0.197 -8.733 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -14.124 -1.289 -7.822 1.00 0.00 H new ATOM 890 N GLU A 60 -10.020 -1.835 -10.834 1.00 0.00 N ATOM 891 CA GLU A 60 -8.661 -2.349 -11.175 1.00 0.00 C ATOM 892 C GLU A 60 -7.634 -1.229 -10.997 1.00 0.00 C ATOM 893 O GLU A 60 -7.873 -0.094 -11.357 1.00 0.00 O ATOM 894 CB GLU A 60 -8.647 -2.825 -12.629 1.00 0.00 C ATOM 895 CG GLU A 60 -7.306 -3.479 -12.940 1.00 0.00 C ATOM 896 CD GLU A 60 -7.251 -3.858 -14.421 1.00 0.00 C ATOM 897 OE1 GLU A 60 -8.212 -3.581 -15.119 1.00 0.00 O ATOM 898 OE2 GLU A 60 -6.249 -4.419 -14.832 1.00 0.00 O ATOM 0 H GLU A 60 -10.348 -1.063 -11.415 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.411 -3.181 -10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.457 -3.535 -12.798 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.816 -1.983 -13.300 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.492 -2.795 -12.699 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.171 -4.367 -12.322 1.00 0.00 H new ATOM 905 N LEU A 61 -6.491 -1.540 -10.447 1.00 0.00 N ATOM 906 CA LEU A 61 -5.449 -0.494 -10.251 1.00 0.00 C ATOM 907 C LEU A 61 -4.355 -0.662 -11.308 1.00 0.00 C ATOM 908 O LEU A 61 -3.938 -1.761 -11.615 1.00 0.00 O ATOM 909 CB LEU A 61 -4.834 -0.632 -8.853 1.00 0.00 C ATOM 910 CG LEU A 61 -5.933 -0.576 -7.784 1.00 0.00 C ATOM 911 CD1 LEU A 61 -6.800 0.665 -8.000 1.00 0.00 C ATOM 912 CD2 LEU A 61 -6.813 -1.828 -7.871 1.00 0.00 C ATOM 0 H LEU A 61 -6.235 -2.473 -10.125 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.904 0.492 -10.349 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.291 -1.574 -8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.112 0.167 -8.685 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.466 -0.530 -6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.579 0.701 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.180 1.559 -7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.259 0.621 -8.988 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.590 -1.780 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.274 -1.881 -8.857 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.201 -2.715 -7.709 1.00 0.00 H new ATOM 924 N SER A 62 -3.885 0.420 -11.868 1.00 0.00 N ATOM 925 CA SER A 62 -2.819 0.323 -12.903 1.00 0.00 C ATOM 926 C SER A 62 -1.447 0.366 -12.227 1.00 0.00 C ATOM 927 O SER A 62 -1.319 0.779 -11.091 1.00 0.00 O ATOM 928 CB SER A 62 -2.945 1.496 -13.876 1.00 0.00 C ATOM 929 OG SER A 62 -3.395 1.016 -15.135 1.00 0.00 O ATOM 0 H SER A 62 -4.195 1.368 -11.652 1.00 0.00 H new ATOM 0 HA SER A 62 -2.926 -0.615 -13.449 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.645 2.235 -13.484 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.983 1.996 -13.987 1.00 0.00 H new ATOM 0 HG SER A 62 -3.478 1.766 -15.760 1.00 0.00 H new ATOM 935 N PRO A 63 -0.428 -0.058 -12.925 1.00 0.00 N ATOM 936 CA PRO A 63 0.965 -0.071 -12.391 1.00 0.00 C ATOM 937 C PRO A 63 1.452 1.336 -12.039 1.00 0.00 C ATOM 938 O PRO A 63 2.239 1.525 -11.133 1.00 0.00 O ATOM 939 CB PRO A 63 1.803 -0.659 -13.532 1.00 0.00 C ATOM 940 CG PRO A 63 0.961 -0.542 -14.761 1.00 0.00 C ATOM 941 CD PRO A 63 -0.493 -0.565 -14.300 1.00 0.00 C ATOM 0 HA PRO A 63 1.038 -0.647 -11.469 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.741 -0.116 -13.648 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.060 -1.699 -13.332 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.183 0.382 -15.296 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.162 -1.364 -15.448 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.123 0.063 -14.929 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.909 -1.572 -14.337 1.00 0.00 H new ATOM 949 N GLU A 64 0.982 2.323 -12.748 1.00 0.00 N ATOM 950 CA GLU A 64 1.406 3.721 -12.461 1.00 0.00 C ATOM 951 C GLU A 64 0.903 4.130 -11.075 1.00 0.00 C ATOM 952 O GLU A 64 1.488 4.963 -10.411 1.00 0.00 O ATOM 953 CB GLU A 64 0.818 4.659 -13.514 1.00 0.00 C ATOM 954 CG GLU A 64 1.403 4.322 -14.881 1.00 0.00 C ATOM 955 CD GLU A 64 0.870 5.306 -15.924 1.00 0.00 C ATOM 956 OE1 GLU A 64 -0.023 6.068 -15.590 1.00 0.00 O ATOM 957 OE2 GLU A 64 1.364 5.282 -17.039 1.00 0.00 O ATOM 0 H GLU A 64 0.320 2.221 -13.517 1.00 0.00 H new ATOM 0 HA GLU A 64 2.494 3.784 -12.487 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.267 4.561 -13.537 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.040 5.695 -13.257 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.491 4.370 -14.844 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.138 3.302 -15.160 1.00 0.00 H new ATOM 964 N HIS A 65 -0.183 3.554 -10.638 1.00 0.00 N ATOM 965 CA HIS A 65 -0.732 3.911 -9.299 1.00 0.00 C ATOM 966 C HIS A 65 0.222 3.430 -8.204 1.00 0.00 C ATOM 967 O HIS A 65 0.263 3.976 -7.120 1.00 0.00 O ATOM 968 CB HIS A 65 -2.096 3.245 -9.115 1.00 0.00 C ATOM 969 CG HIS A 65 -2.686 3.673 -7.800 1.00 0.00 C ATOM 970 ND1 HIS A 65 -3.084 4.981 -7.559 1.00 0.00 N ATOM 971 CD2 HIS A 65 -2.951 2.980 -6.645 1.00 0.00 C ATOM 972 CE1 HIS A 65 -3.563 5.033 -6.302 1.00 0.00 C ATOM 973 NE2 HIS A 65 -3.502 3.842 -5.704 1.00 0.00 N ATOM 0 H HIS A 65 -0.715 2.851 -11.151 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.841 4.993 -9.231 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.762 3.522 -9.932 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.991 2.160 -9.143 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.024 5.760 -8.215 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.761 1.928 -6.491 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.949 5.928 -5.836 1.00 0.00 H new ATOM 982 N PHE A 66 0.984 2.408 -8.475 1.00 0.00 N ATOM 983 CA PHE A 66 1.929 1.890 -7.446 1.00 0.00 C ATOM 984 C PHE A 66 3.302 2.537 -7.644 1.00 0.00 C ATOM 985 O PHE A 66 4.282 2.133 -7.051 1.00 0.00 O ATOM 986 CB PHE A 66 2.045 0.372 -7.589 1.00 0.00 C ATOM 987 CG PHE A 66 0.688 -0.248 -7.356 1.00 0.00 C ATOM 988 CD1 PHE A 66 0.264 -0.536 -6.054 1.00 0.00 C ATOM 989 CD2 PHE A 66 -0.149 -0.526 -8.443 1.00 0.00 C ATOM 990 CE1 PHE A 66 -0.998 -1.103 -5.839 1.00 0.00 C ATOM 991 CE2 PHE A 66 -1.409 -1.094 -8.228 1.00 0.00 C ATOM 992 CZ PHE A 66 -1.834 -1.382 -6.926 1.00 0.00 C ATOM 0 H PHE A 66 0.994 1.909 -9.364 1.00 0.00 H new ATOM 0 HA PHE A 66 1.560 2.133 -6.450 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.411 0.114 -8.583 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.766 -0.020 -6.872 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.910 -0.321 -5.215 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.178 -0.302 -9.448 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.326 -1.325 -4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.054 -1.310 -9.067 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.807 -1.820 -6.760 1.00 0.00 H new ATOM 1002 N ARG A 67 3.377 3.536 -8.478 1.00 0.00 N ATOM 1003 CA ARG A 67 4.681 4.214 -8.723 1.00 0.00 C ATOM 1004 C ARG A 67 5.263 4.721 -7.399 1.00 0.00 C ATOM 1005 O ARG A 67 6.461 4.716 -7.201 1.00 0.00 O ATOM 1006 CB ARG A 67 4.464 5.395 -9.679 1.00 0.00 C ATOM 1007 CG ARG A 67 5.798 6.072 -10.021 1.00 0.00 C ATOM 1008 CD ARG A 67 6.556 5.252 -11.072 1.00 0.00 C ATOM 1009 NE ARG A 67 7.801 5.973 -11.456 1.00 0.00 N ATOM 1010 CZ ARG A 67 8.504 5.563 -12.477 1.00 0.00 C ATOM 1011 NH1 ARG A 67 8.116 4.521 -13.160 1.00 0.00 N ATOM 1012 NH2 ARG A 67 9.595 6.195 -12.814 1.00 0.00 N ATOM 0 H ARG A 67 2.588 3.914 -9.003 1.00 0.00 H new ATOM 0 HA ARG A 67 5.380 3.506 -9.168 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.984 5.045 -10.593 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.790 6.120 -9.222 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.617 7.079 -10.397 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.404 6.172 -9.121 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.801 4.267 -10.674 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.928 5.095 -11.949 1.00 0.00 H new ATOM 0 HE ARG A 67 8.105 6.787 -10.922 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.264 4.027 -12.896 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.665 4.201 -13.958 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.898 7.009 -12.280 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.144 5.875 -13.612 1.00 0.00 H new ATOM 1026 N SER A 68 4.434 5.170 -6.495 1.00 0.00 N ATOM 1027 CA SER A 68 4.964 5.684 -5.196 1.00 0.00 C ATOM 1028 C SER A 68 3.987 5.363 -4.060 1.00 0.00 C ATOM 1029 O SER A 68 2.822 5.102 -4.282 1.00 0.00 O ATOM 1030 CB SER A 68 5.148 7.199 -5.290 1.00 0.00 C ATOM 1031 OG SER A 68 3.873 7.823 -5.365 1.00 0.00 O ATOM 0 H SER A 68 3.420 5.204 -6.597 1.00 0.00 H new ATOM 0 HA SER A 68 5.920 5.204 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.694 7.565 -4.421 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.741 7.451 -6.169 1.00 0.00 H new ATOM 0 HG SER A 68 3.987 8.795 -5.424 1.00 0.00 H new ATOM 1037 N ILE A 69 4.460 5.384 -2.839 1.00 0.00 N ATOM 1038 CA ILE A 69 3.573 5.085 -1.679 1.00 0.00 C ATOM 1039 C ILE A 69 2.484 6.156 -1.562 1.00 0.00 C ATOM 1040 O ILE A 69 1.361 5.873 -1.195 1.00 0.00 O ATOM 1041 CB ILE A 69 4.410 5.075 -0.399 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.387 6.245 -0.421 1.00 0.00 C ATOM 1043 CG2 ILE A 69 5.199 3.775 -0.303 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.866 6.539 1.001 1.00 0.00 C ATOM 0 H ILE A 69 5.428 5.597 -2.597 1.00 0.00 H new ATOM 0 HA ILE A 69 3.103 4.112 -1.826 1.00 0.00 H new ATOM 0 HB ILE A 69 3.744 5.161 0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.238 6.010 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.905 7.127 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.792 3.776 0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.509 2.931 -0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.861 3.686 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.564 7.376 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.011 6.793 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.364 5.658 1.406 1.00 0.00 H new ATOM 1056 N ARG A 70 2.809 7.385 -1.856 1.00 0.00 N ATOM 1057 CA ARG A 70 1.794 8.472 -1.743 1.00 0.00 C ATOM 1058 C ARG A 70 0.618 8.193 -2.683 1.00 0.00 C ATOM 1059 O ARG A 70 -0.522 8.460 -2.357 1.00 0.00 O ATOM 1060 CB ARG A 70 2.437 9.807 -2.123 1.00 0.00 C ATOM 1061 CG ARG A 70 3.536 10.150 -1.116 1.00 0.00 C ATOM 1062 CD ARG A 70 4.100 11.538 -1.430 1.00 0.00 C ATOM 1063 NE ARG A 70 4.600 11.564 -2.833 1.00 0.00 N ATOM 1064 CZ ARG A 70 5.298 12.581 -3.258 1.00 0.00 C ATOM 1065 NH1 ARG A 70 5.558 13.576 -2.454 1.00 0.00 N ATOM 1066 NH2 ARG A 70 5.737 12.604 -4.487 1.00 0.00 N ATOM 0 H ARG A 70 3.732 7.684 -2.169 1.00 0.00 H new ATOM 0 HA ARG A 70 1.430 8.514 -0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.855 9.748 -3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.684 10.595 -2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.135 10.129 -0.103 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.330 9.405 -1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.328 12.296 -1.293 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.909 11.779 -0.740 1.00 0.00 H new ATOM 0 HE ARG A 70 4.397 10.787 -3.461 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.215 13.558 -1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.104 14.371 -2.786 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.534 11.827 -5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.283 13.399 -4.819 1.00 0.00 H new ATOM 1080 N SER A 71 0.880 7.665 -3.846 1.00 0.00 N ATOM 1081 CA SER A 71 -0.232 7.382 -4.797 1.00 0.00 C ATOM 1082 C SER A 71 -1.218 6.397 -4.162 1.00 0.00 C ATOM 1083 O SER A 71 -2.418 6.558 -4.257 1.00 0.00 O ATOM 1084 CB SER A 71 0.339 6.776 -6.078 1.00 0.00 C ATOM 1085 OG SER A 71 -0.705 6.622 -7.031 1.00 0.00 O ATOM 0 H SER A 71 1.812 7.418 -4.179 1.00 0.00 H new ATOM 0 HA SER A 71 -0.752 8.311 -5.031 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.122 7.419 -6.480 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.797 5.810 -5.864 1.00 0.00 H new ATOM 0 HG SER A 71 -1.211 5.806 -6.833 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.722 5.380 -3.513 1.00 0.00 N ATOM 1092 CA ILE A 72 -1.623 4.389 -2.874 1.00 0.00 C ATOM 1093 C ILE A 72 -2.458 5.077 -1.793 1.00 0.00 C ATOM 1094 O ILE A 72 -3.630 4.802 -1.630 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.777 3.285 -2.244 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.063 2.606 -3.327 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.693 2.257 -1.592 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.007 1.591 -2.680 1.00 0.00 C ATOM 0 H ILE A 72 0.275 5.195 -3.399 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.291 3.961 -3.622 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.118 3.715 -1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.586 2.107 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.636 3.351 -3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.091 1.468 -1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.293 2.741 -0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.351 1.826 -2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.605 1.107 -3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.665 2.103 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.424 0.839 -2.149 1.00 0.00 H new ATOM 1110 N ASP A 73 -1.861 5.969 -1.052 1.00 0.00 N ATOM 1111 CA ASP A 73 -2.618 6.674 0.019 1.00 0.00 C ATOM 1112 C ASP A 73 -3.834 7.374 -0.591 1.00 0.00 C ATOM 1113 O ASP A 73 -4.891 7.433 0.005 1.00 0.00 O ATOM 1114 CB ASP A 73 -1.713 7.712 0.686 1.00 0.00 C ATOM 1115 CG ASP A 73 -2.411 8.277 1.924 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -3.475 7.783 2.258 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -1.868 9.194 2.519 1.00 0.00 O ATOM 0 H ASP A 73 -0.882 6.240 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.951 5.951 0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.764 7.256 0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.485 8.515 -0.015 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.693 7.909 -1.773 1.00 0.00 N ATOM 1123 CA ALA A 74 -4.843 8.607 -2.411 1.00 0.00 C ATOM 1124 C ALA A 74 -5.978 7.611 -2.649 1.00 0.00 C ATOM 1125 O ALA A 74 -7.129 7.894 -2.382 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.400 9.206 -3.747 1.00 0.00 C ATOM 0 H ALA A 74 -2.834 7.893 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.192 9.404 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.242 9.717 -4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.593 9.918 -3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.049 8.410 -4.404 1.00 0.00 H new ATOM 1132 N PHE A 75 -5.667 6.446 -3.143 1.00 0.00 N ATOM 1133 CA PHE A 75 -6.739 5.438 -3.386 1.00 0.00 C ATOM 1134 C PHE A 75 -7.365 5.037 -2.052 1.00 0.00 C ATOM 1135 O PHE A 75 -8.572 4.988 -1.908 1.00 0.00 O ATOM 1136 CB PHE A 75 -6.145 4.203 -4.058 1.00 0.00 C ATOM 1137 CG PHE A 75 -7.250 3.231 -4.394 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -7.963 3.368 -5.591 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -7.563 2.193 -3.508 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -8.989 2.467 -5.902 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -8.589 1.293 -3.819 1.00 0.00 C ATOM 1142 CZ PHE A 75 -9.301 1.429 -5.016 1.00 0.00 C ATOM 0 H PHE A 75 -4.723 6.148 -3.388 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.500 5.870 -4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.611 4.490 -4.964 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.419 3.730 -3.397 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.722 4.169 -6.275 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.013 2.087 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.539 2.573 -6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.831 0.493 -3.135 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.091 0.733 -5.256 1.00 0.00 H new ATOM 1152 N VAL A 76 -6.552 4.753 -1.073 1.00 0.00 N ATOM 1153 CA VAL A 76 -7.091 4.357 0.250 1.00 0.00 C ATOM 1154 C VAL A 76 -7.896 5.514 0.841 1.00 0.00 C ATOM 1155 O VAL A 76 -8.961 5.322 1.389 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.927 4.014 1.177 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.449 3.840 2.598 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.271 2.712 0.712 1.00 0.00 C ATOM 0 H VAL A 76 -5.534 4.779 -1.136 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.741 3.489 0.140 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.192 4.819 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.620 3.595 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.918 4.766 2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.182 3.034 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.440 2.467 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.004 1.906 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.901 2.834 -0.306 1.00 0.00 H new ATOM 1168 N VAL A 77 -7.400 6.716 0.731 1.00 0.00 N ATOM 1169 CA VAL A 77 -8.137 7.880 1.284 1.00 0.00 C ATOM 1170 C VAL A 77 -9.502 7.993 0.604 1.00 0.00 C ATOM 1171 O VAL A 77 -10.498 8.294 1.233 1.00 0.00 O ATOM 1172 CB VAL A 77 -7.327 9.147 1.019 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -8.172 10.367 1.363 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -6.067 9.137 1.887 1.00 0.00 C ATOM 0 H VAL A 77 -6.513 6.940 0.280 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.282 7.751 2.356 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.042 9.186 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.596 11.273 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.070 10.373 0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.455 10.329 2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.488 10.041 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.350 9.100 2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.464 8.263 1.643 1.00 0.00 H new ATOM 1184 N GLY A 78 -9.554 7.761 -0.677 1.00 0.00 N ATOM 1185 CA GLY A 78 -10.850 7.860 -1.404 1.00 0.00 C ATOM 1186 C GLY A 78 -11.878 6.905 -0.791 1.00 0.00 C ATOM 1187 O GLY A 78 -13.058 7.192 -0.762 1.00 0.00 O ATOM 0 H GLY A 78 -8.752 7.506 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.222 8.883 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.703 7.620 -2.457 1.00 0.00 H new ATOM 1191 N ALA A 79 -11.447 5.766 -0.312 1.00 0.00 N ATOM 1192 CA ALA A 79 -12.415 4.798 0.282 1.00 0.00 C ATOM 1193 C ALA A 79 -12.322 4.825 1.809 1.00 0.00 C ATOM 1194 O ALA A 79 -13.316 4.941 2.498 1.00 0.00 O ATOM 1195 CB ALA A 79 -12.093 3.389 -0.219 1.00 0.00 C ATOM 0 H ALA A 79 -10.472 5.466 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.425 5.078 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.798 2.679 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.171 3.363 -1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.079 3.120 0.078 1.00 0.00 H new ATOM 1201 N THR A 80 -11.136 4.717 2.340 1.00 0.00 N ATOM 1202 CA THR A 80 -10.970 4.733 3.823 1.00 0.00 C ATOM 1203 C THR A 80 -9.954 5.808 4.208 1.00 0.00 C ATOM 1204 O THR A 80 -8.919 5.943 3.588 1.00 0.00 O ATOM 1205 CB THR A 80 -10.472 3.368 4.294 1.00 0.00 C ATOM 1206 OG1 THR A 80 -11.346 2.355 3.815 1.00 0.00 O ATOM 1207 CG2 THR A 80 -10.436 3.333 5.822 1.00 0.00 C ATOM 0 H THR A 80 -10.270 4.618 1.810 1.00 0.00 H new ATOM 0 HA THR A 80 -11.928 4.952 4.295 1.00 0.00 H new ATOM 0 HB THR A 80 -9.468 3.195 3.907 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.027 1.479 4.115 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.080 2.358 6.155 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.764 4.109 6.188 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.438 3.507 6.214 1.00 0.00 H new ATOM 1215 N THR A 81 -10.239 6.573 5.227 1.00 0.00 N ATOM 1216 CA THR A 81 -9.292 7.641 5.649 1.00 0.00 C ATOM 1217 C THR A 81 -8.935 7.462 7.129 1.00 0.00 C ATOM 1218 O THR A 81 -9.575 8.019 7.999 1.00 0.00 O ATOM 1219 CB THR A 81 -9.954 9.005 5.441 1.00 0.00 C ATOM 1220 OG1 THR A 81 -9.279 9.982 6.222 1.00 0.00 O ATOM 1221 CG2 THR A 81 -11.423 8.935 5.864 1.00 0.00 C ATOM 0 H THR A 81 -11.089 6.503 5.786 1.00 0.00 H new ATOM 0 HA THR A 81 -8.381 7.579 5.054 1.00 0.00 H new ATOM 0 HB THR A 81 -9.897 9.278 4.387 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.311 9.845 6.152 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.891 9.908 5.715 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.940 8.187 5.262 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.486 8.660 6.917 1.00 0.00 H new