USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 616 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 1 MET N :NH3+ -135:sc= 1.2 (180deg=-0.064) USER MOD Set 1.2: A 36 ASN : amide:sc= 0.297 K(o=1.5,f=-12!) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.586 (180deg=-1.38) USER MOD Single : A 6 THR OG1 : rot 124:sc= -0.669 USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= -0.041 (180deg=-0.44) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -31:sc= 0.457 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.408 USER MOD Single : A 48 ASN : amide:sc= -0.806 K(o=-0.81,f=0) USER MOD Single : A 49 ASN : amide:sc= -3.28! K(o=-3.3!,f=-2.2) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -107:sc= -1.25! USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -0.323 (180deg=-1.41!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 64 SER OG : rot -55:sc= 0.661 USER MOD Single : A 68 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.23) USER MOD Single : A 70 THR OG1 : rot 76:sc= -3.94! USER MOD Single : A 73 SER OG : rot -15:sc= 0.268 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.510 3.809 -0.967 1.00 0.00 N ATOM 2 CA MET A 1 -12.773 2.531 -0.761 1.00 0.00 C ATOM 3 C MET A 1 -11.766 2.699 0.368 1.00 0.00 C ATOM 4 O MET A 1 -11.154 3.760 0.505 1.00 0.00 O ATOM 5 CB MET A 1 -12.012 2.166 -2.038 1.00 0.00 C ATOM 6 CG MET A 1 -12.991 1.935 -3.190 1.00 0.00 C ATOM 7 SD MET A 1 -12.163 1.002 -4.505 1.00 0.00 S ATOM 8 CE MET A 1 -10.677 2.031 -4.637 1.00 0.00 C ATOM 0 H1 MET A 1 -14.526 3.611 -1.069 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.359 4.433 -0.149 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.160 4.276 -1.828 1.00 0.00 H new ATOM 0 HA MET A 1 -13.487 1.746 -0.513 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.317 2.965 -2.297 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.417 1.268 -1.871 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.865 1.388 -2.835 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.348 2.890 -3.576 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.134 1.771 -5.546 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.964 3.082 -4.674 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.038 1.860 -3.771 1.00 0.00 H new ATOM 20 N ARG A 2 -11.569 1.641 1.157 1.00 0.00 N ATOM 21 CA ARG A 2 -10.595 1.674 2.255 1.00 0.00 C ATOM 22 C ARG A 2 -9.571 0.565 2.053 1.00 0.00 C ATOM 23 O ARG A 2 -9.926 -0.582 1.777 1.00 0.00 O ATOM 24 CB ARG A 2 -11.301 1.502 3.605 1.00 0.00 C ATOM 25 CG ARG A 2 -10.267 1.529 4.738 1.00 0.00 C ATOM 26 CD ARG A 2 -10.979 1.401 6.085 1.00 0.00 C ATOM 27 NE ARG A 2 -11.902 2.514 6.273 1.00 0.00 N ATOM 28 CZ ARG A 2 -12.555 2.678 7.417 1.00 0.00 C ATOM 29 NH1 ARG A 2 -13.632 1.982 7.656 1.00 0.00 N ATOM 30 NH2 ARG A 2 -12.119 3.532 8.301 1.00 0.00 N ATOM 0 H ARG A 2 -12.066 0.756 1.059 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.090 2.640 2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.032 2.298 3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -11.849 0.560 3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.554 0.714 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.698 2.458 4.703 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.522 0.457 6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.247 1.386 6.892 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.048 3.178 5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -13.971 1.313 6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.135 2.107 8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.276 4.074 8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.621 3.658 9.180 1.00 0.00 H new ATOM 44 N ILE A 3 -8.300 0.921 2.179 1.00 0.00 N ATOM 45 CA ILE A 3 -7.209 -0.034 1.994 1.00 0.00 C ATOM 46 C ILE A 3 -6.395 -0.150 3.276 1.00 0.00 C ATOM 47 O ILE A 3 -5.880 0.849 3.777 1.00 0.00 O ATOM 48 CB ILE A 3 -6.280 0.463 0.873 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.033 0.494 -0.482 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.070 -0.474 0.767 1.00 0.00 C ATOM 51 CD1 ILE A 3 -7.753 1.837 -0.678 1.00 0.00 C ATOM 0 H ILE A 3 -7.995 1.867 2.409 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.632 -1.005 1.736 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.947 1.474 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.329 0.332 -1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.757 -0.320 -0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.409 -0.126 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.530 -0.479 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.411 -1.484 0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.274 1.834 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.473 1.984 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.023 2.646 -0.664 1.00 0.00 H new ATOM 63 N GLU A 4 -6.271 -1.367 3.798 1.00 0.00 N ATOM 64 CA GLU A 4 -5.498 -1.592 5.024 1.00 0.00 C ATOM 65 C GLU A 4 -4.380 -2.602 4.768 1.00 0.00 C ATOM 66 O GLU A 4 -4.614 -3.684 4.231 1.00 0.00 O ATOM 67 CB GLU A 4 -6.416 -2.092 6.146 1.00 0.00 C ATOM 68 CG GLU A 4 -5.610 -2.294 7.435 1.00 0.00 C ATOM 69 CD GLU A 4 -6.524 -2.789 8.550 1.00 0.00 C ATOM 70 OE1 GLU A 4 -7.728 -2.776 8.353 1.00 0.00 O ATOM 71 OE2 GLU A 4 -6.007 -3.172 9.587 1.00 0.00 O ATOM 0 H GLU A 4 -6.690 -2.207 3.399 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.051 -0.647 5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.218 -1.374 6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.886 -3.030 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.809 -3.013 7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.139 -1.356 7.729 1.00 0.00 H new ATOM 78 N VAL A 5 -3.162 -2.220 5.143 1.00 0.00 N ATOM 79 CA VAL A 5 -1.988 -3.079 4.941 1.00 0.00 C ATOM 80 C VAL A 5 -1.315 -3.415 6.270 1.00 0.00 C ATOM 81 O VAL A 5 -1.075 -2.537 7.091 1.00 0.00 O ATOM 82 CB VAL A 5 -0.986 -2.368 4.031 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.129 -3.339 3.637 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.703 -1.856 2.772 1.00 0.00 C ATOM 0 H VAL A 5 -2.958 -1.325 5.587 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.320 -4.009 4.479 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.552 -1.522 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.842 -2.830 2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.640 -3.689 4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.300 -4.190 3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.986 -1.350 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.143 -2.697 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.489 -1.157 3.059 1.00 0.00 H new ATOM 94 N THR A 6 -0.997 -4.699 6.471 1.00 0.00 N ATOM 95 CA THR A 6 -0.325 -5.143 7.701 1.00 0.00 C ATOM 96 C THR A 6 0.998 -5.805 7.362 1.00 0.00 C ATOM 97 O THR A 6 1.096 -6.598 6.425 1.00 0.00 O ATOM 98 CB THR A 6 -1.217 -6.106 8.477 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.687 -7.116 7.601 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.402 -5.335 9.067 1.00 0.00 C ATOM 0 H THR A 6 -1.192 -5.446 5.804 1.00 0.00 H new ATOM 0 HA THR A 6 -0.131 -4.272 8.328 1.00 0.00 H new ATOM 0 HB THR A 6 -0.650 -6.566 9.286 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.444 -7.996 7.956 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.042 -6.021 9.623 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.033 -4.559 9.738 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.975 -4.876 8.261 1.00 0.00 H new ATOM 108 N ILE A 7 2.013 -5.467 8.143 1.00 0.00 N ATOM 109 CA ILE A 7 3.357 -6.005 7.965 1.00 0.00 C ATOM 110 C ILE A 7 3.759 -6.815 9.197 1.00 0.00 C ATOM 111 O ILE A 7 3.584 -6.363 10.327 1.00 0.00 O ATOM 112 CB ILE A 7 4.309 -4.824 7.769 1.00 0.00 C ATOM 113 CG1 ILE A 7 4.111 -4.220 6.358 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.769 -5.265 7.977 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.928 -4.980 5.298 1.00 0.00 C ATOM 0 H ILE A 7 1.930 -4.811 8.920 1.00 0.00 H new ATOM 0 HA ILE A 7 3.396 -6.666 7.099 1.00 0.00 H new ATOM 0 HB ILE A 7 4.082 -4.059 8.511 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.054 -4.249 6.094 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.409 -3.171 6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.431 -4.411 7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.891 -5.653 8.988 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.020 -6.044 7.257 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.764 -4.528 4.320 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.987 -4.928 5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.612 -6.023 5.274 1.00 0.00 H new ATOM 127 N ALA A 8 4.297 -8.013 8.980 1.00 0.00 N ATOM 128 CA ALA A 8 4.706 -8.857 10.095 1.00 0.00 C ATOM 129 C ALA A 8 5.839 -8.200 10.869 1.00 0.00 C ATOM 130 O ALA A 8 6.829 -7.727 10.309 1.00 0.00 O ATOM 131 CB ALA A 8 5.169 -10.214 9.571 1.00 0.00 C ATOM 0 H ALA A 8 4.457 -8.415 8.056 1.00 0.00 H new ATOM 0 HA ALA A 8 3.854 -8.993 10.761 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.474 -10.842 10.408 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.351 -10.695 9.035 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.013 -10.074 8.895 1.00 0.00 H new ATOM 137 N LYS A 9 5.633 -8.174 12.179 1.00 0.00 N ATOM 138 CA LYS A 9 6.570 -7.575 13.111 1.00 0.00 C ATOM 139 C LYS A 9 7.929 -8.262 13.028 1.00 0.00 C ATOM 140 O LYS A 9 8.959 -7.655 13.324 1.00 0.00 O ATOM 141 CB LYS A 9 6.001 -7.632 14.533 1.00 0.00 C ATOM 142 CG LYS A 9 6.942 -6.956 15.546 1.00 0.00 C ATOM 143 CD LYS A 9 6.956 -5.437 15.331 1.00 0.00 C ATOM 144 CE LYS A 9 7.645 -4.771 16.521 1.00 0.00 C ATOM 145 NZ LYS A 9 9.007 -5.354 16.689 1.00 0.00 N ATOM 0 H LYS A 9 4.806 -8.571 12.624 1.00 0.00 H new ATOM 0 HA LYS A 9 6.716 -6.529 12.843 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.028 -7.142 14.556 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.842 -8.671 14.821 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.617 -7.183 16.561 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.951 -7.355 15.437 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.481 -5.193 14.407 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.938 -5.062 15.228 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.714 -3.695 16.361 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.058 -4.921 17.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.586 -4.720 17.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.933 -6.283 17.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.454 -5.466 15.757 1.00 0.00 H new ATOM 159 N THR A 10 7.932 -9.523 12.602 1.00 0.00 N ATOM 160 CA THR A 10 9.170 -10.275 12.458 1.00 0.00 C ATOM 161 C THR A 10 10.045 -9.614 11.400 1.00 0.00 C ATOM 162 O THR A 10 11.225 -9.939 11.265 1.00 0.00 O ATOM 163 CB THR A 10 8.850 -11.714 12.040 1.00 0.00 C ATOM 164 OG1 THR A 10 7.928 -11.696 10.959 1.00 0.00 O ATOM 165 CG2 THR A 10 8.241 -12.473 13.223 1.00 0.00 C ATOM 0 H THR A 10 7.091 -10.042 12.352 1.00 0.00 H new ATOM 0 HA THR A 10 9.702 -10.287 13.409 1.00 0.00 H new ATOM 0 HB THR A 10 9.767 -12.214 11.729 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.723 -12.615 10.689 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.015 -13.496 12.922 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.950 -12.487 14.050 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.324 -11.977 13.540 1.00 0.00 H new ATOM 173 N SER A 11 9.461 -8.675 10.651 1.00 0.00 N ATOM 174 CA SER A 11 10.190 -7.953 9.601 1.00 0.00 C ATOM 175 C SER A 11 10.152 -6.447 9.872 1.00 0.00 C ATOM 176 O SER A 11 9.342 -5.730 9.287 1.00 0.00 O ATOM 177 CB SER A 11 9.547 -8.228 8.243 1.00 0.00 C ATOM 178 OG SER A 11 9.736 -9.594 7.898 1.00 0.00 O ATOM 0 H SER A 11 8.485 -8.396 10.751 1.00 0.00 H new ATOM 0 HA SER A 11 11.225 -8.296 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.483 -7.995 8.278 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.989 -7.585 7.482 1.00 0.00 H new ATOM 0 HG SER A 11 9.322 -9.772 7.028 1.00 0.00 H new ATOM 184 N PRO A 12 11.005 -5.953 10.740 1.00 0.00 N ATOM 185 CA PRO A 12 11.060 -4.508 11.083 1.00 0.00 C ATOM 186 C PRO A 12 11.677 -3.644 9.977 1.00 0.00 C ATOM 187 O PRO A 12 12.739 -3.961 9.445 1.00 0.00 O ATOM 188 CB PRO A 12 11.857 -4.431 12.404 1.00 0.00 C ATOM 189 CG PRO A 12 12.229 -5.852 12.754 1.00 0.00 C ATOM 190 CD PRO A 12 12.018 -6.701 11.493 1.00 0.00 C ATOM 0 HA PRO A 12 10.056 -4.099 11.194 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.747 -3.813 12.286 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.258 -3.979 13.195 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.266 -5.907 13.086 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.612 -6.220 13.573 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.941 -6.810 10.924 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.674 -7.706 11.739 1.00 0.00 H new ATOM 198 N LEU A 13 11.013 -2.529 9.673 1.00 0.00 N ATOM 199 CA LEU A 13 11.504 -1.585 8.671 1.00 0.00 C ATOM 200 C LEU A 13 12.040 -0.349 9.404 1.00 0.00 C ATOM 201 O LEU A 13 11.540 -0.013 10.476 1.00 0.00 O ATOM 202 CB LEU A 13 10.369 -1.203 7.718 1.00 0.00 C ATOM 203 CG LEU A 13 9.617 -2.471 7.275 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.537 -2.110 6.244 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.601 -3.469 6.645 1.00 0.00 C ATOM 0 H LEU A 13 10.131 -2.257 10.108 1.00 0.00 H new ATOM 0 HA LEU A 13 12.301 -2.034 8.079 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.683 -0.515 8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.771 -0.684 6.848 1.00 0.00 H new ATOM 0 HG LEU A 13 9.148 -2.922 8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.011 -3.014 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.829 -1.411 6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.004 -1.649 5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.062 -4.364 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.077 -3.012 5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.363 -3.740 7.376 1.00 0.00 H new ATOM 217 N PRO A 14 13.058 0.309 8.897 1.00 0.00 N ATOM 218 CA PRO A 14 13.645 1.485 9.598 1.00 0.00 C ATOM 219 C PRO A 14 12.574 2.465 10.092 1.00 0.00 C ATOM 220 O PRO A 14 11.496 2.586 9.511 1.00 0.00 O ATOM 221 CB PRO A 14 14.621 2.123 8.588 1.00 0.00 C ATOM 222 CG PRO A 14 14.546 1.292 7.324 1.00 0.00 C ATOM 223 CD PRO A 14 13.755 0.010 7.641 1.00 0.00 C ATOM 0 HA PRO A 14 14.166 1.187 10.508 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.347 3.159 8.387 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.636 2.133 8.985 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.058 1.854 6.528 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.547 1.044 6.971 1.00 0.00 H new ATOM 0 HD2 PRO A 14 13.051 -0.229 6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.418 -0.849 7.750 1.00 0.00 H new ATOM 231 N ALA A 15 12.907 3.120 11.203 1.00 0.00 N ATOM 232 CA ALA A 15 12.028 4.082 11.873 1.00 0.00 C ATOM 233 C ALA A 15 11.579 5.229 10.956 1.00 0.00 C ATOM 234 O ALA A 15 11.705 6.398 11.321 1.00 0.00 O ATOM 235 CB ALA A 15 12.780 4.671 13.067 1.00 0.00 C ATOM 0 H ALA A 15 13.805 2.997 11.670 1.00 0.00 H new ATOM 0 HA ALA A 15 11.129 3.547 12.181 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.142 5.391 13.580 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.052 3.871 13.756 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.683 5.171 12.717 1.00 0.00 H new ATOM 241 N GLY A 16 11.062 4.904 9.776 1.00 0.00 N ATOM 242 CA GLY A 16 10.612 5.933 8.839 1.00 0.00 C ATOM 243 C GLY A 16 9.982 5.306 7.604 1.00 0.00 C ATOM 244 O GLY A 16 9.315 5.974 6.817 1.00 0.00 O ATOM 0 H GLY A 16 10.944 3.946 9.446 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.889 6.586 9.329 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.456 6.556 8.545 1.00 0.00 H new ATOM 248 N ALA A 17 10.258 4.022 7.425 1.00 0.00 N ATOM 249 CA ALA A 17 9.784 3.285 6.261 1.00 0.00 C ATOM 250 C ALA A 17 8.269 3.058 6.202 1.00 0.00 C ATOM 251 O ALA A 17 7.670 3.228 5.140 1.00 0.00 O ATOM 252 CB ALA A 17 10.545 1.962 6.140 1.00 0.00 C ATOM 0 H ALA A 17 10.812 3.465 8.076 1.00 0.00 H new ATOM 0 HA ALA A 17 9.993 3.923 5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.187 1.415 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.610 2.164 6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.380 1.364 7.036 1.00 0.00 H new ATOM 258 N ILE A 18 7.643 2.666 7.300 1.00 0.00 N ATOM 259 CA ILE A 18 6.202 2.425 7.264 1.00 0.00 C ATOM 260 C ILE A 18 5.456 3.697 6.864 1.00 0.00 C ATOM 261 O ILE A 18 4.622 3.680 5.958 1.00 0.00 O ATOM 262 CB ILE A 18 5.713 1.923 8.630 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.242 0.487 8.879 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.178 1.943 8.674 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.312 -0.568 8.257 1.00 0.00 C ATOM 0 H ILE A 18 8.090 2.510 8.204 1.00 0.00 H new ATOM 0 HA ILE A 18 5.997 1.658 6.517 1.00 0.00 H new ATOM 0 HB ILE A 18 6.093 2.579 9.413 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.242 0.387 8.457 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.330 0.310 9.951 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.837 1.586 9.646 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.823 2.961 8.517 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.783 1.296 7.891 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.711 -1.564 8.449 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.319 -0.484 8.699 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.245 -0.405 7.181 1.00 0.00 H new ATOM 277 N ASP A 19 5.777 4.801 7.530 1.00 0.00 N ATOM 278 CA ASP A 19 5.133 6.067 7.203 1.00 0.00 C ATOM 279 C ASP A 19 5.421 6.419 5.753 1.00 0.00 C ATOM 280 O ASP A 19 4.538 6.903 5.043 1.00 0.00 O ATOM 281 CB ASP A 19 5.576 7.188 8.144 1.00 0.00 C ATOM 282 CG ASP A 19 5.000 6.952 9.537 1.00 0.00 C ATOM 283 OD1 ASP A 19 3.950 6.336 9.624 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.617 7.386 10.496 1.00 0.00 O ATOM 0 H ASP A 19 6.464 4.846 8.283 1.00 0.00 H new ATOM 0 HA ASP A 19 4.057 5.955 7.337 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.664 7.226 8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.240 8.151 7.760 1.00 0.00 H new ATOM 289 N ALA A 20 6.646 6.172 5.300 1.00 0.00 N ATOM 290 CA ALA A 20 6.980 6.474 3.920 1.00 0.00 C ATOM 291 C ALA A 20 6.160 5.600 2.968 1.00 0.00 C ATOM 292 O ALA A 20 5.677 6.071 1.937 1.00 0.00 O ATOM 293 CB ALA A 20 8.481 6.293 3.668 1.00 0.00 C ATOM 0 H ALA A 20 7.404 5.774 5.854 1.00 0.00 H new ATOM 0 HA ALA A 20 6.732 7.518 3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.706 6.525 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.043 6.963 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.764 5.262 3.879 1.00 0.00 H new ATOM 299 N LEU A 21 6.000 4.329 3.329 1.00 0.00 N ATOM 300 CA LEU A 21 5.238 3.389 2.531 1.00 0.00 C ATOM 301 C LEU A 21 3.787 3.835 2.392 1.00 0.00 C ATOM 302 O LEU A 21 3.231 3.853 1.294 1.00 0.00 O ATOM 303 CB LEU A 21 5.338 2.005 3.201 1.00 0.00 C ATOM 304 CG LEU A 21 4.388 1.000 2.553 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.750 0.796 1.080 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.494 -0.341 3.283 1.00 0.00 C ATOM 0 H LEU A 21 6.395 3.929 4.180 1.00 0.00 H new ATOM 0 HA LEU A 21 5.646 3.341 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.362 1.638 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.105 2.095 4.262 1.00 0.00 H new ATOM 0 HG LEU A 21 3.371 1.385 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.064 0.077 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.675 1.746 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.770 0.419 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.817 -1.060 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.517 -0.712 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.224 -0.207 4.330 1.00 0.00 H new ATOM 318 N ALA A 22 3.179 4.190 3.524 1.00 0.00 N ATOM 319 CA ALA A 22 1.789 4.628 3.531 1.00 0.00 C ATOM 320 C ALA A 22 1.626 5.867 2.655 1.00 0.00 C ATOM 321 O ALA A 22 0.645 5.979 1.920 1.00 0.00 O ATOM 322 CB ALA A 22 1.330 4.932 4.958 1.00 0.00 C ATOM 0 H ALA A 22 3.626 4.182 4.441 1.00 0.00 H new ATOM 0 HA ALA A 22 1.170 3.825 3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.290 5.258 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.421 4.034 5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.952 5.722 5.380 1.00 0.00 H new ATOM 328 N GLY A 23 2.575 6.780 2.705 1.00 0.00 N ATOM 329 CA GLY A 23 2.504 7.980 1.878 1.00 0.00 C ATOM 330 C GLY A 23 2.654 7.643 0.401 1.00 0.00 C ATOM 331 O GLY A 23 1.922 8.182 -0.429 1.00 0.00 O ATOM 0 H GLY A 23 3.400 6.721 3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.551 8.483 2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.288 8.676 2.176 1.00 0.00 H new ATOM 335 N GLU A 24 3.590 6.770 0.055 1.00 0.00 N ATOM 336 CA GLU A 24 3.772 6.427 -1.351 1.00 0.00 C ATOM 337 C GLU A 24 2.532 5.701 -1.884 1.00 0.00 C ATOM 338 O GLU A 24 2.112 5.934 -3.017 1.00 0.00 O ATOM 339 CB GLU A 24 5.036 5.575 -1.531 1.00 0.00 C ATOM 340 CG GLU A 24 5.354 5.432 -3.020 1.00 0.00 C ATOM 341 CD GLU A 24 5.826 6.771 -3.578 1.00 0.00 C ATOM 342 OE1 GLU A 24 6.240 7.605 -2.790 1.00 0.00 O ATOM 343 OE2 GLU A 24 5.764 6.945 -4.784 1.00 0.00 O ATOM 0 H GLU A 24 4.219 6.298 0.705 1.00 0.00 H new ATOM 0 HA GLU A 24 3.899 7.343 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.875 6.039 -1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.890 4.591 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.124 4.675 -3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.469 5.094 -3.560 1.00 0.00 H new ATOM 350 N LEU A 25 1.962 4.816 -1.074 1.00 0.00 N ATOM 351 CA LEU A 25 0.780 4.064 -1.506 1.00 0.00 C ATOM 352 C LEU A 25 -0.441 4.962 -1.730 1.00 0.00 C ATOM 353 O LEU A 25 -1.183 4.768 -2.691 1.00 0.00 O ATOM 354 CB LEU A 25 0.425 2.970 -0.489 1.00 0.00 C ATOM 355 CG LEU A 25 1.441 1.820 -0.551 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.184 0.866 0.621 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.309 1.047 -1.885 1.00 0.00 C ATOM 0 H LEU A 25 2.288 4.601 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 25 1.041 3.609 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.408 3.392 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.576 2.589 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 25 2.449 2.231 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.901 0.045 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.296 1.406 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.172 0.467 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.037 0.236 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.304 0.634 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.493 1.725 -2.718 1.00 0.00 H new ATOM 369 N SER A 26 -0.662 5.924 -0.844 1.00 0.00 N ATOM 370 CA SER A 26 -1.820 6.809 -0.979 1.00 0.00 C ATOM 371 C SER A 26 -1.761 7.621 -2.269 1.00 0.00 C ATOM 372 O SER A 26 -2.761 7.725 -2.979 1.00 0.00 O ATOM 373 CB SER A 26 -1.898 7.754 0.219 1.00 0.00 C ATOM 374 OG SER A 26 -0.709 8.530 0.287 1.00 0.00 O ATOM 0 H SER A 26 -0.069 6.113 -0.036 1.00 0.00 H new ATOM 0 HA SER A 26 -2.712 6.183 -1.014 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.766 8.406 0.126 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.026 7.183 1.139 1.00 0.00 H new ATOM 0 HG SER A 26 0.044 8.006 -0.059 1.00 0.00 H new ATOM 380 N ARG A 27 -0.605 8.194 -2.582 1.00 0.00 N ATOM 381 CA ARG A 27 -0.491 8.978 -3.806 1.00 0.00 C ATOM 382 C ARG A 27 -0.805 8.090 -5.010 1.00 0.00 C ATOM 383 O ARG A 27 -1.481 8.520 -5.946 1.00 0.00 O ATOM 384 CB ARG A 27 0.921 9.559 -3.936 1.00 0.00 C ATOM 385 CG ARG A 27 1.131 10.649 -2.879 1.00 0.00 C ATOM 386 CD ARG A 27 2.542 11.226 -3.013 1.00 0.00 C ATOM 387 NE ARG A 27 2.776 12.243 -1.989 1.00 0.00 N ATOM 388 CZ ARG A 27 4.008 12.563 -1.604 1.00 0.00 C ATOM 389 NH1 ARG A 27 4.835 13.116 -2.449 1.00 0.00 N ATOM 390 NH2 ARG A 27 4.392 12.325 -0.379 1.00 0.00 N ATOM 0 H ARG A 27 0.246 8.134 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.203 9.803 -3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.662 8.770 -3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.063 9.974 -4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.390 11.439 -3.004 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.990 10.234 -1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.279 10.428 -2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.671 11.662 -4.004 1.00 0.00 H new ATOM 0 HE ARG A 27 1.979 12.716 -1.562 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.537 13.303 -3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.780 13.361 -2.152 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.747 11.894 0.283 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.337 12.571 -0.084 1.00 0.00 H new ATOM 404 N ARG A 28 -0.330 6.844 -4.974 1.00 0.00 N ATOM 405 CA ARG A 28 -0.591 5.905 -6.063 1.00 0.00 C ATOM 406 C ARG A 28 -2.083 5.600 -6.193 1.00 0.00 C ATOM 407 O ARG A 28 -2.613 5.490 -7.299 1.00 0.00 O ATOM 408 CB ARG A 28 0.185 4.607 -5.843 1.00 0.00 C ATOM 409 CG ARG A 28 1.677 4.871 -6.052 1.00 0.00 C ATOM 410 CD ARG A 28 2.464 3.577 -5.841 1.00 0.00 C ATOM 411 NE ARG A 28 3.891 3.827 -6.005 1.00 0.00 N ATOM 412 CZ ARG A 28 4.435 3.965 -7.211 1.00 0.00 C ATOM 413 NH1 ARG A 28 3.833 3.480 -8.262 1.00 0.00 N ATOM 414 NH2 ARG A 28 5.572 4.591 -7.342 1.00 0.00 N ATOM 0 H ARG A 28 0.231 6.466 -4.211 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.257 6.373 -6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.008 4.230 -4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.161 3.840 -6.536 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.851 5.254 -7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.022 5.635 -5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.268 3.181 -4.844 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.135 2.821 -6.554 1.00 0.00 H new ATOM 0 HE ARG A 28 4.484 3.898 -5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.942 2.993 -8.160 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.253 3.588 -9.185 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.041 4.973 -6.521 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.992 4.698 -8.265 1.00 0.00 H new ATOM 428 N ILE A 29 -2.746 5.453 -5.048 1.00 0.00 N ATOM 429 CA ILE A 29 -4.174 5.151 -5.036 1.00 0.00 C ATOM 430 C ILE A 29 -4.983 6.304 -5.621 1.00 0.00 C ATOM 431 O ILE A 29 -5.888 6.096 -6.429 1.00 0.00 O ATOM 432 CB ILE A 29 -4.637 4.851 -3.600 1.00 0.00 C ATOM 433 CG1 ILE A 29 -3.963 3.549 -3.092 1.00 0.00 C ATOM 434 CG2 ILE A 29 -6.170 4.713 -3.560 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.757 2.301 -3.516 1.00 0.00 C ATOM 0 H ILE A 29 -2.321 5.537 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.342 4.271 -5.657 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.345 5.675 -2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.948 3.486 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.883 3.579 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.490 4.501 -2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.628 5.643 -3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.479 3.898 -4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.256 1.407 -3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.764 2.352 -3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.814 2.258 -4.604 1.00 0.00 H new ATOM 447 N GLN A 30 -4.645 7.517 -5.213 1.00 0.00 N ATOM 448 CA GLN A 30 -5.342 8.700 -5.708 1.00 0.00 C ATOM 449 C GLN A 30 -5.182 8.846 -7.215 1.00 0.00 C ATOM 450 O GLN A 30 -6.140 9.207 -7.897 1.00 0.00 O ATOM 451 CB GLN A 30 -4.821 9.959 -5.003 1.00 0.00 C ATOM 452 CG GLN A 30 -5.666 11.182 -5.392 1.00 0.00 C ATOM 453 CD GLN A 30 -5.265 12.376 -4.531 1.00 0.00 C ATOM 454 OE1 GLN A 30 -4.872 12.205 -3.376 1.00 0.00 O ATOM 455 NE2 GLN A 30 -5.337 13.582 -5.026 1.00 0.00 N ATOM 0 H GLN A 30 -3.898 7.711 -4.545 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.403 8.578 -5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.852 9.817 -3.923 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.779 10.129 -5.273 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.521 11.416 -6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.725 10.963 -5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.663 13.722 -5.982 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.068 14.384 -4.456 1.00 0.00 H new ATOM 464 N TYR A 31 -3.993 8.578 -7.759 1.00 0.00 N ATOM 465 CA TYR A 31 -3.808 8.713 -9.197 1.00 0.00 C ATOM 466 C TYR A 31 -4.638 7.663 -9.937 1.00 0.00 C ATOM 467 O TYR A 31 -5.224 7.955 -10.981 1.00 0.00 O ATOM 468 CB TYR A 31 -2.332 8.580 -9.579 1.00 0.00 C ATOM 469 CG TYR A 31 -2.191 8.736 -11.076 1.00 0.00 C ATOM 470 CD1 TYR A 31 -2.292 7.619 -11.913 1.00 0.00 C ATOM 471 CD2 TYR A 31 -1.963 10.004 -11.625 1.00 0.00 C ATOM 472 CE1 TYR A 31 -2.166 7.768 -13.300 1.00 0.00 C ATOM 473 CE2 TYR A 31 -1.835 10.153 -13.011 1.00 0.00 C ATOM 474 CZ TYR A 31 -1.936 9.037 -13.848 1.00 0.00 C ATOM 475 OH TYR A 31 -1.813 9.185 -15.215 1.00 0.00 O ATOM 0 H TYR A 31 -3.169 8.275 -7.240 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.146 9.707 -9.489 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.741 9.338 -9.065 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.948 7.609 -9.265 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.467 6.641 -11.489 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.886 10.866 -10.979 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.246 6.906 -13.946 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.658 11.131 -13.434 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.657 10.129 -15.429 1.00 0.00 H new ATOM 485 N ALA A 32 -4.684 6.448 -9.405 1.00 0.00 N ATOM 486 CA ALA A 32 -5.446 5.374 -10.043 1.00 0.00 C ATOM 487 C ALA A 32 -6.950 5.600 -9.918 1.00 0.00 C ATOM 488 O ALA A 32 -7.716 5.273 -10.825 1.00 0.00 O ATOM 489 CB ALA A 32 -5.082 4.030 -9.403 1.00 0.00 C ATOM 0 H ALA A 32 -4.209 6.180 -8.543 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.189 5.368 -11.102 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.652 3.233 -9.881 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.016 3.842 -9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.319 4.057 -8.339 1.00 0.00 H new ATOM 495 N PHE A 33 -7.365 6.140 -8.769 1.00 0.00 N ATOM 496 CA PHE A 33 -8.783 6.392 -8.495 1.00 0.00 C ATOM 497 C PHE A 33 -9.040 7.882 -8.246 1.00 0.00 C ATOM 498 O PHE A 33 -9.037 8.333 -7.099 1.00 0.00 O ATOM 499 CB PHE A 33 -9.195 5.604 -7.251 1.00 0.00 C ATOM 500 CG PHE A 33 -9.031 4.125 -7.510 1.00 0.00 C ATOM 501 CD1 PHE A 33 -10.094 3.387 -8.045 1.00 0.00 C ATOM 502 CD2 PHE A 33 -7.818 3.490 -7.219 1.00 0.00 C ATOM 503 CE1 PHE A 33 -9.945 2.016 -8.287 1.00 0.00 C ATOM 504 CE2 PHE A 33 -7.668 2.120 -7.460 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.732 1.383 -7.994 1.00 0.00 C ATOM 0 H PHE A 33 -6.738 6.412 -8.012 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.365 6.079 -9.362 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.584 5.904 -6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.231 5.826 -6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.030 3.876 -8.271 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.997 4.058 -6.808 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.766 1.448 -8.699 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.732 1.631 -7.234 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.616 0.325 -8.180 1.00 0.00 H new ATOM 515 N PRO A 34 -9.264 8.650 -9.285 1.00 0.00 N ATOM 516 CA PRO A 34 -9.531 10.113 -9.162 1.00 0.00 C ATOM 517 C PRO A 34 -10.927 10.434 -8.614 1.00 0.00 C ATOM 518 O PRO A 34 -11.155 11.492 -8.028 1.00 0.00 O ATOM 519 CB PRO A 34 -9.377 10.655 -10.613 1.00 0.00 C ATOM 520 CG PRO A 34 -8.999 9.483 -11.483 1.00 0.00 C ATOM 521 CD PRO A 34 -9.287 8.210 -10.687 1.00 0.00 C ATOM 0 HA PRO A 34 -8.845 10.571 -8.449 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.308 11.106 -10.957 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.612 11.430 -10.656 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.571 9.493 -12.410 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.945 9.533 -11.758 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.253 7.783 -10.955 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.536 7.443 -10.876 1.00 0.00 H new ATOM 529 N ASP A 35 -11.860 9.521 -8.873 1.00 0.00 N ATOM 530 CA ASP A 35 -13.260 9.697 -8.476 1.00 0.00 C ATOM 531 C ASP A 35 -13.605 9.113 -7.105 1.00 0.00 C ATOM 532 O ASP A 35 -14.723 9.329 -6.636 1.00 0.00 O ATOM 533 CB ASP A 35 -14.160 9.030 -9.517 1.00 0.00 C ATOM 534 CG ASP A 35 -13.958 9.683 -10.879 1.00 0.00 C ATOM 535 OD1 ASP A 35 -14.664 10.635 -11.166 1.00 0.00 O ATOM 536 OD2 ASP A 35 -13.101 9.221 -11.614 1.00 0.00 O ATOM 0 H ASP A 35 -11.672 8.644 -9.360 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.422 10.773 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.932 7.966 -9.578 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.204 9.116 -9.215 1.00 0.00 H new ATOM 541 N ASN A 36 -12.713 8.345 -6.470 1.00 0.00 N ATOM 542 CA ASN A 36 -13.054 7.727 -5.172 1.00 0.00 C ATOM 543 C ASN A 36 -12.048 8.057 -4.081 1.00 0.00 C ATOM 544 O ASN A 36 -10.849 7.852 -4.271 1.00 0.00 O ATOM 545 CB ASN A 36 -13.053 6.209 -5.345 1.00 0.00 C ATOM 546 CG ASN A 36 -13.411 5.532 -4.027 1.00 0.00 C ATOM 547 OD1 ASN A 36 -12.528 5.067 -3.307 1.00 0.00 O ATOM 548 ND2 ASN A 36 -14.664 5.441 -3.672 1.00 0.00 N ATOM 0 H ASN A 36 -11.776 8.137 -6.815 1.00 0.00 H new ATOM 0 HA ASN A 36 -14.027 8.117 -4.873 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.768 5.922 -6.116 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.071 5.874 -5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.914 4.983 -2.795 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.393 5.828 -4.271 1.00 0.00 H new ATOM 555 N GLU A 37 -12.504 8.506 -2.926 1.00 0.00 N ATOM 556 CA GLU A 37 -11.604 8.779 -1.820 1.00 0.00 C ATOM 557 C GLU A 37 -10.891 7.496 -1.380 1.00 0.00 C ATOM 558 O GLU A 37 -11.538 6.519 -1.002 1.00 0.00 O ATOM 559 CB GLU A 37 -12.494 9.246 -0.649 1.00 0.00 C ATOM 560 CG GLU A 37 -11.674 9.547 0.621 1.00 0.00 C ATOM 561 CD GLU A 37 -12.617 10.001 1.730 1.00 0.00 C ATOM 562 OE1 GLU A 37 -13.812 10.036 1.485 1.00 0.00 O ATOM 563 OE2 GLU A 37 -12.130 10.312 2.804 1.00 0.00 O ATOM 0 H GLU A 37 -13.488 8.689 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.857 9.517 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.042 10.140 -0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.234 8.477 -0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.126 8.658 0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.935 10.321 0.416 1.00 0.00 H new ATOM 570 N GLY A 38 -9.563 7.516 -1.399 1.00 0.00 N ATOM 571 CA GLY A 38 -8.796 6.343 -0.958 1.00 0.00 C ATOM 572 C GLY A 38 -8.075 6.590 0.359 1.00 0.00 C ATOM 573 O GLY A 38 -7.302 7.545 0.444 1.00 0.00 O ATOM 0 H GLY A 38 -9.000 8.309 -1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.468 5.492 -0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.068 6.078 -1.725 1.00 0.00 H new ATOM 577 N HIS A 39 -8.284 5.751 1.381 1.00 0.00 N ATOM 578 CA HIS A 39 -7.587 5.940 2.663 1.00 0.00 C ATOM 579 C HIS A 39 -6.692 4.732 2.917 1.00 0.00 C ATOM 580 O HIS A 39 -7.167 3.596 2.881 1.00 0.00 O ATOM 581 CB HIS A 39 -8.613 6.061 3.791 1.00 0.00 C ATOM 582 CG HIS A 39 -7.901 6.246 5.102 1.00 0.00 C ATOM 583 ND1 HIS A 39 -7.071 7.329 5.351 1.00 0.00 N ATOM 584 CD2 HIS A 39 -7.876 5.485 6.244 1.00 0.00 C ATOM 585 CE1 HIS A 39 -6.587 7.190 6.599 1.00 0.00 C ATOM 586 NE2 HIS A 39 -7.046 6.083 7.189 1.00 0.00 N ATOM 0 H HIS A 39 -8.916 4.951 1.350 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.985 6.848 2.628 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.277 6.905 3.604 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.236 5.167 3.827 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.418 4.562 6.388 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.909 7.889 7.067 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.834 5.748 8.129 1.00 0.00 H new ATOM 594 N VAL A 40 -5.398 4.962 3.133 1.00 0.00 N ATOM 595 CA VAL A 40 -4.453 3.869 3.344 1.00 0.00 C ATOM 596 C VAL A 40 -3.873 3.880 4.753 1.00 0.00 C ATOM 597 O VAL A 40 -3.382 4.907 5.222 1.00 0.00 O ATOM 598 CB VAL A 40 -3.324 4.007 2.326 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.315 2.880 2.536 1.00 0.00 C ATOM 600 CG2 VAL A 40 -3.905 3.916 0.908 1.00 0.00 C ATOM 0 H VAL A 40 -4.982 5.893 3.166 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.981 2.924 3.217 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.828 4.969 2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.507 2.975 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.906 2.941 3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.811 1.918 2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.101 4.014 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.398 2.952 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.629 4.717 0.760 1.00 0.00 H new ATOM 610 N SER A 41 -3.908 2.720 5.408 1.00 0.00 N ATOM 611 CA SER A 41 -3.352 2.585 6.762 1.00 0.00 C ATOM 612 C SER A 41 -2.348 1.440 6.801 1.00 0.00 C ATOM 613 O SER A 41 -2.554 0.400 6.176 1.00 0.00 O ATOM 614 CB SER A 41 -4.463 2.353 7.784 1.00 0.00 C ATOM 615 OG SER A 41 -5.242 3.537 7.907 1.00 0.00 O ATOM 0 H SER A 41 -4.312 1.863 5.030 1.00 0.00 H new ATOM 0 HA SER A 41 -2.842 3.513 7.021 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.093 1.520 7.471 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.035 2.084 8.749 1.00 0.00 H new ATOM 0 HG SER A 41 -5.957 3.391 8.561 1.00 0.00 H new ATOM 621 N VAL A 42 -1.266 1.634 7.555 1.00 0.00 N ATOM 622 CA VAL A 42 -0.234 0.599 7.685 1.00 0.00 C ATOM 623 C VAL A 42 0.104 0.374 9.156 1.00 0.00 C ATOM 624 O VAL A 42 0.379 1.323 9.890 1.00 0.00 O ATOM 625 CB VAL A 42 1.026 0.995 6.912 1.00 0.00 C ATOM 626 CG1 VAL A 42 1.988 -0.193 6.853 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.652 1.425 5.491 1.00 0.00 C ATOM 0 H VAL A 42 -1.080 2.488 8.081 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.622 -0.329 7.264 1.00 0.00 H new ATOM 0 HB VAL A 42 1.510 1.828 7.422 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.884 0.092 6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.263 -0.489 7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.503 -1.029 6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.554 1.706 4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.161 0.598 4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.025 2.278 5.535 1.00 0.00 H new ATOM 637 N ARG A 43 0.079 -0.897 9.589 1.00 0.00 N ATOM 638 CA ARG A 43 0.384 -1.224 10.988 1.00 0.00 C ATOM 639 C ARG A 43 1.053 -2.591 11.099 1.00 0.00 C ATOM 640 O ARG A 43 0.932 -3.424 10.206 1.00 0.00 O ATOM 641 CB ARG A 43 -0.895 -1.241 11.821 1.00 0.00 C ATOM 642 CG ARG A 43 -1.691 0.035 11.574 1.00 0.00 C ATOM 643 CD ARG A 43 -2.870 0.091 12.545 1.00 0.00 C ATOM 644 NE ARG A 43 -3.763 1.186 12.191 1.00 0.00 N ATOM 645 CZ ARG A 43 -4.832 1.463 12.930 1.00 0.00 C ATOM 646 NH1 ARG A 43 -5.820 0.613 12.989 1.00 0.00 N ATOM 647 NH2 ARG A 43 -4.890 2.581 13.598 1.00 0.00 N ATOM 0 H ARG A 43 -0.145 -1.700 9.002 1.00 0.00 H new ATOM 0 HA ARG A 43 1.064 -0.458 11.362 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.497 -2.112 11.561 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.649 -1.328 12.879 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.052 0.908 11.709 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.051 0.059 10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.414 -0.853 12.522 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.505 0.224 13.564 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.565 1.748 11.364 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.771 -0.263 12.468 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.641 0.824 13.556 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.115 3.243 13.553 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.710 2.794 14.165 1.00 0.00 H new ATOM 661 N TYR A 44 1.731 -2.829 12.218 1.00 0.00 N ATOM 662 CA TYR A 44 2.379 -4.117 12.442 1.00 0.00 C ATOM 663 C TYR A 44 1.353 -5.101 12.993 1.00 0.00 C ATOM 664 O TYR A 44 0.517 -4.746 13.827 1.00 0.00 O ATOM 665 CB TYR A 44 3.542 -3.991 13.426 1.00 0.00 C ATOM 666 CG TYR A 44 4.678 -3.219 12.797 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.428 -3.795 11.765 1.00 0.00 C ATOM 668 CD2 TYR A 44 4.990 -1.932 13.255 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.489 -3.084 11.191 1.00 0.00 C ATOM 670 CE2 TYR A 44 6.048 -1.222 12.681 1.00 0.00 C ATOM 671 CZ TYR A 44 6.799 -1.797 11.649 1.00 0.00 C ATOM 672 OH TYR A 44 7.842 -1.096 11.083 1.00 0.00 O ATOM 0 H TYR A 44 1.845 -2.156 12.976 1.00 0.00 H new ATOM 0 HA TYR A 44 2.776 -4.474 11.492 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.208 -3.486 14.332 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.886 -4.982 13.722 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.189 -4.787 11.412 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.412 -1.488 14.052 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.068 -3.528 10.395 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.286 -0.229 13.034 1.00 0.00 H new ATOM 0 HH TYR A 44 7.921 -0.220 11.516 1.00 0.00 H new ATOM 682 N ALA A 45 1.421 -6.346 12.517 1.00 0.00 N ATOM 683 CA ALA A 45 0.501 -7.395 12.949 1.00 0.00 C ATOM 684 C ALA A 45 1.256 -8.715 13.046 1.00 0.00 C ATOM 685 O ALA A 45 2.377 -8.824 12.553 1.00 0.00 O ATOM 686 CB ALA A 45 -0.648 -7.530 11.946 1.00 0.00 C ATOM 0 H ALA A 45 2.109 -6.651 11.828 1.00 0.00 H new ATOM 0 HA ALA A 45 0.089 -7.135 13.924 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.329 -8.314 12.276 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.187 -6.585 11.881 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.247 -7.787 10.966 1.00 0.00 H new ATOM 692 N ALA A 46 0.655 -9.715 13.677 1.00 0.00 N ATOM 693 CA ALA A 46 1.332 -10.998 13.803 1.00 0.00 C ATOM 694 C ALA A 46 1.653 -11.554 12.417 1.00 0.00 C ATOM 695 O ALA A 46 2.589 -12.341 12.271 1.00 0.00 O ATOM 696 CB ALA A 46 0.488 -11.993 14.603 1.00 0.00 C ATOM 0 H ALA A 46 -0.273 -9.667 14.098 1.00 0.00 H new ATOM 0 HA ALA A 46 2.264 -10.844 14.347 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.020 -12.941 14.680 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.307 -11.596 15.602 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.465 -12.151 14.097 1.00 0.00 H new ATOM 702 N ALA A 47 0.868 -11.176 11.394 1.00 0.00 N ATOM 703 CA ALA A 47 1.103 -11.696 10.038 1.00 0.00 C ATOM 704 C ALA A 47 0.901 -10.634 8.951 1.00 0.00 C ATOM 705 O ALA A 47 0.107 -9.708 9.114 1.00 0.00 O ATOM 706 CB ALA A 47 0.170 -12.877 9.768 1.00 0.00 C ATOM 0 H ALA A 47 0.084 -10.528 11.476 1.00 0.00 H new ATOM 0 HA ALA A 47 2.145 -12.013 9.996 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.348 -13.259 8.763 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.362 -13.666 10.495 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.866 -12.549 9.854 1.00 0.00 H new ATOM 712 N ASN A 48 1.588 -10.808 7.824 1.00 0.00 N ATOM 713 CA ASN A 48 1.443 -9.896 6.686 1.00 0.00 C ATOM 714 C ASN A 48 0.084 -10.157 6.019 1.00 0.00 C ATOM 715 O ASN A 48 -0.240 -11.303 5.706 1.00 0.00 O ATOM 716 CB ASN A 48 2.570 -10.151 5.682 1.00 0.00 C ATOM 717 CG ASN A 48 2.448 -9.187 4.508 1.00 0.00 C ATOM 718 OD1 ASN A 48 1.945 -9.557 3.447 1.00 0.00 O ATOM 719 ND2 ASN A 48 2.878 -7.961 4.638 1.00 0.00 N ATOM 0 H ASN A 48 2.250 -11.569 7.672 1.00 0.00 H new ATOM 0 HA ASN A 48 1.496 -8.861 7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.537 -10.025 6.168 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.525 -11.180 5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.798 -7.307 3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.294 -7.657 5.518 1.00 0.00 H new ATOM 726 N ASN A 49 -0.707 -9.102 5.794 1.00 0.00 N ATOM 727 CA ASN A 49 -2.022 -9.247 5.154 1.00 0.00 C ATOM 728 C ASN A 49 -2.420 -7.966 4.414 1.00 0.00 C ATOM 729 O ASN A 49 -2.042 -6.864 4.815 1.00 0.00 O ATOM 730 CB ASN A 49 -3.087 -9.577 6.205 1.00 0.00 C ATOM 731 CG ASN A 49 -2.775 -10.919 6.858 1.00 0.00 C ATOM 732 OD1 ASN A 49 -2.723 -11.018 8.085 1.00 0.00 O ATOM 733 ND2 ASN A 49 -2.573 -11.966 6.107 1.00 0.00 N ATOM 0 H ASN A 49 -0.463 -8.144 6.043 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.954 -10.061 4.432 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.118 -8.793 6.962 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.072 -9.610 5.739 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.371 -12.870 6.535 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.617 -11.881 5.091 1.00 0.00 H new ATOM 740 N LEU A 50 -3.217 -8.117 3.348 1.00 0.00 N ATOM 741 CA LEU A 50 -3.713 -6.979 2.561 1.00 0.00 C ATOM 742 C LEU A 50 -5.235 -7.096 2.499 1.00 0.00 C ATOM 743 O LEU A 50 -5.753 -8.111 2.029 1.00 0.00 O ATOM 744 CB LEU A 50 -3.125 -7.032 1.141 1.00 0.00 C ATOM 745 CG LEU A 50 -3.636 -5.841 0.299 1.00 0.00 C ATOM 746 CD1 LEU A 50 -3.171 -4.514 0.907 1.00 0.00 C ATOM 747 CD2 LEU A 50 -3.110 -5.962 -1.142 1.00 0.00 C ATOM 0 H LEU A 50 -3.535 -9.025 3.008 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.418 -6.034 3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.036 -7.009 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.403 -7.970 0.661 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.726 -5.860 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.540 -3.687 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.560 -4.422 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.082 -4.487 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.472 -5.121 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.020 -5.957 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.465 -6.894 -1.582 1.00 0.00 H new ATOM 759 N SER A 51 -5.958 -6.069 2.951 1.00 0.00 N ATOM 760 CA SER A 51 -7.427 -6.093 2.909 1.00 0.00 C ATOM 761 C SER A 51 -7.954 -4.888 2.130 1.00 0.00 C ATOM 762 O SER A 51 -7.578 -3.751 2.414 1.00 0.00 O ATOM 763 CB SER A 51 -7.980 -6.033 4.334 1.00 0.00 C ATOM 764 OG SER A 51 -9.399 -6.120 4.286 1.00 0.00 O ATOM 0 H SER A 51 -5.559 -5.218 3.347 1.00 0.00 H new ATOM 0 HA SER A 51 -7.746 -7.012 2.418 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.573 -6.850 4.930 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.676 -5.104 4.817 1.00 0.00 H new ATOM 0 HG SER A 51 -9.760 -6.084 5.196 1.00 0.00 H new ATOM 770 N VAL A 52 -8.852 -5.133 1.172 1.00 0.00 N ATOM 771 CA VAL A 52 -9.459 -4.054 0.387 1.00 0.00 C ATOM 772 C VAL A 52 -10.976 -4.126 0.532 1.00 0.00 C ATOM 773 O VAL A 52 -11.575 -5.173 0.283 1.00 0.00 O ATOM 774 CB VAL A 52 -9.069 -4.175 -1.086 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.769 -3.075 -1.887 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.553 -4.014 -1.223 1.00 0.00 C ATOM 0 H VAL A 52 -9.175 -6.068 0.921 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.097 -3.095 0.757 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.369 -5.152 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.493 -3.159 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.849 -3.182 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.464 -2.099 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.271 -4.100 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.256 -3.035 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.051 -4.792 -0.648 1.00 0.00 H new ATOM 786 N ILE A 53 -11.599 -3.019 0.937 1.00 0.00 N ATOM 787 CA ILE A 53 -13.056 -2.979 1.115 1.00 0.00 C ATOM 788 C ILE A 53 -13.690 -1.926 0.207 1.00 0.00 C ATOM 789 O ILE A 53 -13.266 -0.771 0.198 1.00 0.00 O ATOM 790 CB ILE A 53 -13.385 -2.646 2.574 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.766 -3.697 3.503 1.00 0.00 C ATOM 792 CG2 ILE A 53 -14.903 -2.635 2.768 1.00 0.00 C ATOM 793 CD1 ILE A 53 -12.864 -3.213 4.949 1.00 0.00 C ATOM 0 H ILE A 53 -11.124 -2.142 1.148 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.459 -3.957 0.852 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.976 -1.665 2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.284 -4.649 3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.724 -3.868 3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.135 -2.398 3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.348 -1.883 2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.309 -3.616 2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.425 -3.958 5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.326 -2.271 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.911 -3.065 5.213 1.00 0.00 H new ATOM 805 N GLY A 54 -14.731 -2.322 -0.534 1.00 0.00 N ATOM 806 CA GLY A 54 -15.435 -1.382 -1.414 1.00 0.00 C ATOM 807 C GLY A 54 -14.877 -1.377 -2.838 1.00 0.00 C ATOM 808 O GLY A 54 -15.128 -0.434 -3.589 1.00 0.00 O ATOM 0 H GLY A 54 -15.101 -3.273 -0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.493 -1.641 -1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.364 -0.377 -0.997 1.00 0.00 H new ATOM 812 N ALA A 55 -14.115 -2.409 -3.213 1.00 0.00 N ATOM 813 CA ALA A 55 -13.525 -2.468 -4.563 1.00 0.00 C ATOM 814 C ALA A 55 -13.943 -3.726 -5.316 1.00 0.00 C ATOM 815 O ALA A 55 -14.368 -4.722 -4.728 1.00 0.00 O ATOM 816 CB ALA A 55 -11.999 -2.413 -4.469 1.00 0.00 C ATOM 0 H ALA A 55 -13.892 -3.205 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.896 -1.607 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.571 -2.457 -5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.697 -1.483 -3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.640 -3.259 -3.883 1.00 0.00 H new ATOM 822 N THR A 56 -13.767 -3.658 -6.636 1.00 0.00 N ATOM 823 CA THR A 56 -14.052 -4.751 -7.564 1.00 0.00 C ATOM 824 C THR A 56 -12.819 -5.629 -7.721 1.00 0.00 C ATOM 825 O THR A 56 -11.700 -5.206 -7.437 1.00 0.00 O ATOM 826 CB THR A 56 -14.386 -4.161 -8.937 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.234 -3.513 -9.458 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.525 -3.149 -8.805 1.00 0.00 C ATOM 0 H THR A 56 -13.414 -2.821 -7.100 1.00 0.00 H new ATOM 0 HA THR A 56 -14.885 -5.339 -7.178 1.00 0.00 H new ATOM 0 HB THR A 56 -14.696 -4.961 -9.610 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.357 -2.542 -9.414 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.758 -2.733 -9.785 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.408 -3.645 -8.403 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.222 -2.346 -8.133 1.00 0.00 H new ATOM 836 N LYS A 57 -13.041 -6.875 -8.137 1.00 0.00 N ATOM 837 CA LYS A 57 -11.949 -7.828 -8.283 1.00 0.00 C ATOM 838 C LYS A 57 -10.880 -7.327 -9.255 1.00 0.00 C ATOM 839 O LYS A 57 -9.689 -7.488 -8.990 1.00 0.00 O ATOM 840 CB LYS A 57 -12.489 -9.175 -8.797 1.00 0.00 C ATOM 841 CG LYS A 57 -13.495 -9.796 -7.804 1.00 0.00 C ATOM 842 CD LYS A 57 -13.979 -11.156 -8.333 1.00 0.00 C ATOM 843 CE LYS A 57 -15.013 -10.977 -9.456 1.00 0.00 C ATOM 844 NZ LYS A 57 -16.064 -10.008 -9.033 1.00 0.00 N ATOM 0 H LYS A 57 -13.961 -7.244 -8.377 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.495 -7.949 -7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.972 -9.030 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.660 -9.864 -8.956 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.026 -9.921 -6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.344 -9.126 -7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.129 -11.728 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.419 -11.731 -7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.521 -10.620 -10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.469 -11.937 -9.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.930 -10.172 -9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.268 -10.137 -8.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.728 -9.038 -9.197 1.00 0.00 H new ATOM 858 N GLU A 58 -11.279 -6.698 -10.361 1.00 0.00 N ATOM 859 CA GLU A 58 -10.297 -6.171 -11.306 1.00 0.00 C ATOM 860 C GLU A 58 -9.505 -5.047 -10.659 1.00 0.00 C ATOM 861 O GLU A 58 -8.299 -4.920 -10.875 1.00 0.00 O ATOM 862 CB GLU A 58 -10.993 -5.651 -12.568 1.00 0.00 C ATOM 863 CG GLU A 58 -9.936 -5.159 -13.564 1.00 0.00 C ATOM 864 CD GLU A 58 -10.598 -4.736 -14.870 1.00 0.00 C ATOM 865 OE1 GLU A 58 -11.815 -4.780 -14.936 1.00 0.00 O ATOM 866 OE2 GLU A 58 -9.876 -4.376 -15.785 1.00 0.00 O ATOM 0 H GLU A 58 -12.253 -6.544 -10.620 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.618 -6.977 -11.585 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.593 -6.442 -13.018 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.675 -4.839 -12.313 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.387 -4.319 -13.138 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.210 -5.950 -13.755 1.00 0.00 H new ATOM 873 N ASP A 59 -10.190 -4.238 -9.843 1.00 0.00 N ATOM 874 CA ASP A 59 -9.531 -3.142 -9.152 1.00 0.00 C ATOM 875 C ASP A 59 -8.505 -3.716 -8.189 1.00 0.00 C ATOM 876 O ASP A 59 -7.376 -3.233 -8.088 1.00 0.00 O ATOM 877 CB ASP A 59 -10.561 -2.307 -8.388 1.00 0.00 C ATOM 878 CG ASP A 59 -11.434 -1.538 -9.374 1.00 0.00 C ATOM 879 OD1 ASP A 59 -11.007 -1.370 -10.504 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.514 -1.126 -8.985 1.00 0.00 O ATOM 0 H ASP A 59 -11.188 -4.325 -9.651 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.034 -2.497 -9.876 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.180 -2.955 -7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.055 -1.613 -7.717 1.00 0.00 H new ATOM 885 N LYS A 60 -8.922 -4.762 -7.486 1.00 0.00 N ATOM 886 CA LYS A 60 -8.055 -5.426 -6.525 1.00 0.00 C ATOM 887 C LYS A 60 -6.815 -6.005 -7.208 1.00 0.00 C ATOM 888 O LYS A 60 -5.716 -5.902 -6.663 1.00 0.00 O ATOM 889 CB LYS A 60 -8.817 -6.521 -5.777 1.00 0.00 C ATOM 890 CG LYS A 60 -9.844 -5.887 -4.834 1.00 0.00 C ATOM 891 CD LYS A 60 -10.603 -6.992 -4.093 1.00 0.00 C ATOM 892 CE LYS A 60 -11.742 -6.378 -3.277 1.00 0.00 C ATOM 893 NZ LYS A 60 -12.355 -7.427 -2.415 1.00 0.00 N ATOM 0 H LYS A 60 -9.855 -5.167 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.724 -4.680 -5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.319 -7.178 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.121 -7.138 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.344 -5.233 -4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.541 -5.268 -5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.002 -7.714 -4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.924 -7.535 -3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.364 -5.561 -2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.494 -5.954 -3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.130 -7.011 -1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.729 -8.192 -3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.635 -7.811 -1.771 1.00 0.00 H new ATOM 907 N GLN A 61 -6.955 -6.586 -8.399 1.00 0.00 N ATOM 908 CA GLN A 61 -5.779 -7.117 -9.088 1.00 0.00 C ATOM 909 C GLN A 61 -4.853 -5.958 -9.444 1.00 0.00 C ATOM 910 O GLN A 61 -3.636 -6.064 -9.286 1.00 0.00 O ATOM 911 CB GLN A 61 -6.197 -7.871 -10.353 1.00 0.00 C ATOM 912 CG GLN A 61 -6.908 -9.169 -9.965 1.00 0.00 C ATOM 913 CD GLN A 61 -7.345 -9.918 -11.219 1.00 0.00 C ATOM 914 OE1 GLN A 61 -7.488 -9.318 -12.284 1.00 0.00 O ATOM 915 NE2 GLN A 61 -7.569 -11.202 -11.156 1.00 0.00 N ATOM 0 H GLN A 61 -7.840 -6.699 -8.894 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.257 -7.816 -8.435 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.857 -7.249 -10.958 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.321 -8.092 -10.963 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.242 -9.795 -9.371 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.775 -8.947 -9.343 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.450 -11.698 -10.273 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.863 -11.710 -11.990 1.00 0.00 H new ATOM 924 N ARG A 62 -5.422 -4.848 -9.933 1.00 0.00 N ATOM 925 CA ARG A 62 -4.603 -3.702 -10.305 1.00 0.00 C ATOM 926 C ARG A 62 -3.837 -3.208 -9.084 1.00 0.00 C ATOM 927 O ARG A 62 -2.639 -2.937 -9.160 1.00 0.00 O ATOM 928 CB ARG A 62 -5.466 -2.575 -10.896 1.00 0.00 C ATOM 929 CG ARG A 62 -4.591 -1.393 -11.355 1.00 0.00 C ATOM 930 CD ARG A 62 -3.906 -1.712 -12.692 1.00 0.00 C ATOM 931 NE ARG A 62 -4.898 -2.119 -13.681 1.00 0.00 N ATOM 932 CZ ARG A 62 -5.635 -1.218 -14.319 1.00 0.00 C ATOM 933 NH1 ARG A 62 -5.061 -0.332 -15.084 1.00 0.00 N ATOM 934 NH2 ARG A 62 -6.931 -1.215 -14.175 1.00 0.00 N ATOM 0 H ARG A 62 -6.425 -4.726 -10.076 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.894 -4.011 -11.073 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.040 -2.956 -11.740 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.184 -2.233 -10.151 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.205 -0.499 -11.460 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.838 -1.176 -10.598 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.364 -0.837 -13.049 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.173 -2.507 -12.553 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.027 -3.110 -13.885 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.047 -0.332 -15.192 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.626 0.361 -15.575 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.379 -1.905 -13.572 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.497 -0.523 -14.665 1.00 0.00 H new ATOM 948 N ILE A 63 -4.530 -3.091 -7.963 1.00 0.00 N ATOM 949 CA ILE A 63 -3.883 -2.620 -6.748 1.00 0.00 C ATOM 950 C ILE A 63 -2.745 -3.557 -6.356 1.00 0.00 C ATOM 951 O ILE A 63 -1.659 -3.097 -6.003 1.00 0.00 O ATOM 952 CB ILE A 63 -4.885 -2.463 -5.605 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.843 -1.299 -5.907 1.00 0.00 C ATOM 954 CG2 ILE A 63 -4.141 -2.174 -4.298 1.00 0.00 C ATOM 955 CD1 ILE A 63 -7.028 -1.325 -4.928 1.00 0.00 C ATOM 0 H ILE A 63 -5.522 -3.311 -7.868 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.465 -1.634 -6.949 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.454 -3.388 -5.505 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.313 -0.350 -5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.206 -1.373 -6.932 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.860 -2.063 -3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.466 -3.000 -4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.567 -1.253 -4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.701 -0.497 -5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.566 -2.267 -5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.659 -1.229 -3.907 1.00 0.00 H new ATOM 967 N SER A 64 -2.968 -4.861 -6.454 1.00 0.00 N ATOM 968 CA SER A 64 -1.900 -5.796 -6.136 1.00 0.00 C ATOM 969 C SER A 64 -0.746 -5.502 -7.086 1.00 0.00 C ATOM 970 O SER A 64 0.407 -5.456 -6.653 1.00 0.00 O ATOM 971 CB SER A 64 -2.377 -7.237 -6.325 1.00 0.00 C ATOM 972 OG SER A 64 -2.553 -7.492 -7.712 1.00 0.00 O ATOM 0 H SER A 64 -3.850 -5.285 -6.742 1.00 0.00 H new ATOM 0 HA SER A 64 -1.590 -5.682 -5.097 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.650 -7.932 -5.905 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.314 -7.395 -5.792 1.00 0.00 H new ATOM 0 HG SER A 64 -3.164 -6.827 -8.092 1.00 0.00 H new ATOM 978 N GLU A 65 -1.029 -5.297 -8.382 1.00 0.00 N ATOM 979 CA GLU A 65 0.010 -5.008 -9.334 1.00 0.00 C ATOM 980 C GLU A 65 0.737 -3.725 -8.925 1.00 0.00 C ATOM 981 O GLU A 65 1.965 -3.665 -8.964 1.00 0.00 O ATOM 982 CB GLU A 65 -0.604 -4.870 -10.719 1.00 0.00 C ATOM 983 CG GLU A 65 0.511 -4.797 -11.730 1.00 0.00 C ATOM 984 CD GLU A 65 -0.058 -4.658 -13.139 1.00 0.00 C ATOM 985 OE1 GLU A 65 -1.244 -4.395 -13.255 1.00 0.00 O ATOM 986 OE2 GLU A 65 0.697 -4.829 -14.081 1.00 0.00 O ATOM 0 H GLU A 65 -1.969 -5.330 -8.776 1.00 0.00 H new ATOM 0 HA GLU A 65 0.736 -5.821 -9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.254 -5.719 -10.932 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.223 -3.974 -10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.158 -3.949 -11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.128 -5.694 -11.667 1.00 0.00 H new ATOM 993 N ILE A 66 -0.021 -2.705 -8.524 1.00 0.00 N ATOM 994 CA ILE A 66 0.588 -1.441 -8.107 1.00 0.00 C ATOM 995 C ILE A 66 1.520 -1.659 -6.917 1.00 0.00 C ATOM 996 O ILE A 66 2.639 -1.146 -6.891 1.00 0.00 O ATOM 997 CB ILE A 66 -0.500 -0.416 -7.752 1.00 0.00 C ATOM 998 CG1 ILE A 66 -1.223 0.006 -9.039 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.140 0.820 -7.102 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.419 0.900 -8.698 1.00 0.00 C ATOM 0 H ILE A 66 -1.040 -2.726 -8.479 1.00 0.00 H new ATOM 0 HA ILE A 66 1.177 -1.052 -8.938 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.207 -0.862 -7.053 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.535 0.540 -9.694 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.561 -0.876 -9.582 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.637 1.543 -6.853 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.664 0.523 -6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.847 1.272 -7.798 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.926 1.195 -9.617 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.113 0.352 -8.060 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.070 1.790 -8.174 1.00 0.00 H new ATOM 1012 N LEU A 67 1.050 -2.416 -5.940 1.00 0.00 N ATOM 1013 CA LEU A 67 1.854 -2.685 -4.767 1.00 0.00 C ATOM 1014 C LEU A 67 3.134 -3.385 -5.181 1.00 0.00 C ATOM 1015 O LEU A 67 4.215 -3.060 -4.690 1.00 0.00 O ATOM 1016 CB LEU A 67 1.067 -3.559 -3.766 1.00 0.00 C ATOM 1017 CG LEU A 67 1.990 -4.153 -2.675 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.621 -3.039 -1.827 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.157 -5.065 -1.765 1.00 0.00 C ATOM 0 H LEU A 67 0.127 -2.849 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 67 2.102 -1.742 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.286 -2.961 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.570 -4.368 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 67 2.788 -4.717 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.265 -3.481 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.212 -2.384 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.834 -2.460 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.797 -5.490 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.361 -4.485 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.721 -5.869 -2.357 1.00 0.00 H new ATOM 1031 N GLN A 68 3.016 -4.331 -6.092 1.00 0.00 N ATOM 1032 CA GLN A 68 4.192 -5.033 -6.557 1.00 0.00 C ATOM 1033 C GLN A 68 5.167 -4.049 -7.207 1.00 0.00 C ATOM 1034 O GLN A 68 6.349 -4.038 -6.871 1.00 0.00 O ATOM 1035 CB GLN A 68 3.812 -6.124 -7.558 1.00 0.00 C ATOM 1036 CG GLN A 68 3.081 -7.256 -6.835 1.00 0.00 C ATOM 1037 CD GLN A 68 4.049 -8.027 -5.943 1.00 0.00 C ATOM 1038 OE1 GLN A 68 3.860 -8.092 -4.729 1.00 0.00 O ATOM 1039 NE2 GLN A 68 5.078 -8.628 -6.478 1.00 0.00 N ATOM 0 H GLN A 68 2.137 -4.626 -6.517 1.00 0.00 H new ATOM 0 HA GLN A 68 4.673 -5.503 -5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.176 -5.708 -8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.707 -6.510 -8.047 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.269 -6.848 -6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.631 -7.931 -7.563 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.234 -8.574 -7.485 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.726 -9.152 -5.889 1.00 0.00 H new ATOM 1048 N GLU A 69 4.689 -3.235 -8.153 1.00 0.00 N ATOM 1049 CA GLU A 69 5.572 -2.290 -8.841 1.00 0.00 C ATOM 1050 C GLU A 69 6.235 -1.286 -7.892 1.00 0.00 C ATOM 1051 O GLU A 69 7.438 -1.041 -7.997 1.00 0.00 O ATOM 1052 CB GLU A 69 4.786 -1.538 -9.918 1.00 0.00 C ATOM 1053 CG GLU A 69 4.438 -2.498 -11.060 1.00 0.00 C ATOM 1054 CD GLU A 69 5.697 -2.874 -11.833 1.00 0.00 C ATOM 1055 OE1 GLU A 69 6.670 -2.145 -11.735 1.00 0.00 O ATOM 1056 OE2 GLU A 69 5.666 -3.881 -12.520 1.00 0.00 O ATOM 0 H GLU A 69 3.715 -3.210 -8.455 1.00 0.00 H new ATOM 0 HA GLU A 69 6.372 -2.877 -9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.875 -1.118 -9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.375 -0.703 -10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.967 -3.396 -10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.717 -2.031 -11.730 1.00 0.00 H new ATOM 1063 N THR A 70 5.471 -0.706 -6.969 1.00 0.00 N ATOM 1064 CA THR A 70 6.044 0.260 -6.028 1.00 0.00 C ATOM 1065 C THR A 70 7.137 -0.407 -5.220 1.00 0.00 C ATOM 1066 O THR A 70 8.242 0.112 -5.062 1.00 0.00 O ATOM 1067 CB THR A 70 4.962 0.783 -5.094 1.00 0.00 C ATOM 1068 OG1 THR A 70 3.926 1.384 -5.856 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.562 1.817 -4.141 1.00 0.00 C ATOM 0 H THR A 70 4.473 -0.881 -6.851 1.00 0.00 H new ATOM 0 HA THR A 70 6.464 1.096 -6.587 1.00 0.00 H new ATOM 0 HB THR A 70 4.553 -0.046 -4.516 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.377 0.686 -6.269 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.785 2.190 -3.473 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.354 1.353 -3.553 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.975 2.646 -4.716 1.00 0.00 H new ATOM 1077 N TRP A 71 6.785 -1.576 -4.715 1.00 0.00 N ATOM 1078 CA TRP A 71 7.679 -2.379 -3.910 1.00 0.00 C ATOM 1079 C TRP A 71 8.945 -2.678 -4.702 1.00 0.00 C ATOM 1080 O TRP A 71 10.040 -2.673 -4.141 1.00 0.00 O ATOM 1081 CB TRP A 71 6.889 -3.627 -3.496 1.00 0.00 C ATOM 1082 CG TRP A 71 7.726 -4.621 -2.747 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.857 -5.922 -3.096 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.505 -4.448 -1.520 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.691 -6.549 -2.191 1.00 0.00 N ATOM 1086 CE2 TRP A 71 9.116 -5.686 -1.201 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.754 -3.352 -0.666 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.938 -5.833 -0.083 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.579 -3.500 0.462 1.00 0.00 C ATOM 1090 CH2 TRP A 71 10.170 -4.736 0.750 1.00 0.00 C ATOM 0 H TRP A 71 5.865 -1.994 -4.854 1.00 0.00 H new ATOM 0 HA TRP A 71 8.017 -1.870 -3.007 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.045 -3.328 -2.875 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.477 -4.103 -4.386 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.385 -6.394 -3.945 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.960 -7.531 -2.247 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.307 -2.393 -0.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.392 -6.788 0.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.758 -2.655 1.111 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.806 -4.841 1.617 1.00 0.00 H new ATOM 1101 N GLU A 72 8.809 -2.942 -5.995 1.00 0.00 N ATOM 1102 CA GLU A 72 9.962 -3.246 -6.846 1.00 0.00 C ATOM 1103 C GLU A 72 10.766 -1.989 -7.204 1.00 0.00 C ATOM 1104 O GLU A 72 11.912 -2.112 -7.638 1.00 0.00 O ATOM 1105 CB GLU A 72 9.514 -3.982 -8.112 1.00 0.00 C ATOM 1106 CG GLU A 72 9.067 -5.399 -7.739 1.00 0.00 C ATOM 1107 CD GLU A 72 8.595 -6.146 -8.981 1.00 0.00 C ATOM 1108 OE1 GLU A 72 8.321 -5.493 -9.975 1.00 0.00 O ATOM 1109 OE2 GLU A 72 8.514 -7.363 -8.920 1.00 0.00 O ATOM 0 H GLU A 72 7.913 -2.953 -6.482 1.00 0.00 H new ATOM 0 HA GLU A 72 10.624 -3.897 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.696 -3.444 -8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.332 -4.023 -8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.892 -5.938 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.262 -5.353 -7.005 1.00 0.00 H new ATOM 1116 N SER A 73 10.195 -0.781 -7.045 1.00 0.00 N ATOM 1117 CA SER A 73 10.935 0.449 -7.392 1.00 0.00 C ATOM 1118 C SER A 73 11.372 1.193 -6.136 1.00 0.00 C ATOM 1119 O SER A 73 11.553 2.411 -6.158 1.00 0.00 O ATOM 1120 CB SER A 73 10.065 1.365 -8.254 1.00 0.00 C ATOM 1121 OG SER A 73 8.936 1.788 -7.500 1.00 0.00 O ATOM 0 H SER A 73 9.251 -0.630 -6.689 1.00 0.00 H new ATOM 0 HA SER A 73 11.823 0.161 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.642 2.230 -8.583 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.741 0.838 -9.152 1.00 0.00 H new ATOM 0 HG SER A 73 8.840 1.219 -6.708 1.00 0.00 H new ATOM 1127 N ALA A 74 11.473 0.464 -5.031 1.00 0.00 N ATOM 1128 CA ALA A 74 11.807 1.036 -3.733 1.00 0.00 C ATOM 1129 C ALA A 74 13.078 1.894 -3.684 1.00 0.00 C ATOM 1130 O ALA A 74 13.131 2.876 -2.953 1.00 0.00 O ATOM 1131 CB ALA A 74 11.963 -0.109 -2.730 1.00 0.00 C ATOM 0 H ALA A 74 11.325 -0.545 -5.010 1.00 0.00 H new ATOM 0 HA ALA A 74 10.988 1.715 -3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.214 0.297 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.028 -0.665 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.759 -0.776 -3.060 1.00 0.00 H new ATOM 1137 N ASP A 75 14.098 1.523 -4.443 1.00 0.00 N ATOM 1138 CA ASP A 75 15.353 2.280 -4.431 1.00 0.00 C ATOM 1139 C ASP A 75 15.190 3.689 -5.011 1.00 0.00 C ATOM 1140 O ASP A 75 16.031 4.557 -4.771 1.00 0.00 O ATOM 1141 CB ASP A 75 16.415 1.531 -5.239 1.00 0.00 C ATOM 1142 CG ASP A 75 15.950 1.360 -6.681 1.00 0.00 C ATOM 1143 OD1 ASP A 75 14.943 1.952 -7.033 1.00 0.00 O ATOM 1144 OD2 ASP A 75 16.610 0.642 -7.414 1.00 0.00 O ATOM 0 H ASP A 75 14.089 0.717 -5.068 1.00 0.00 H new ATOM 0 HA ASP A 75 15.659 2.378 -3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.356 2.080 -5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.603 0.555 -4.791 1.00 0.00 H new ATOM 1149 N ASP A 76 14.138 3.918 -5.791 1.00 0.00 N ATOM 1150 CA ASP A 76 13.918 5.229 -6.416 1.00 0.00 C ATOM 1151 C ASP A 76 13.021 6.156 -5.584 1.00 0.00 C ATOM 1152 O ASP A 76 13.326 7.339 -5.445 1.00 0.00 O ATOM 1153 CB ASP A 76 13.287 5.028 -7.796 1.00 0.00 C ATOM 1154 CG ASP A 76 14.305 4.421 -8.754 1.00 0.00 C ATOM 1155 OD1 ASP A 76 15.489 4.526 -8.476 1.00 0.00 O ATOM 1156 OD2 ASP A 76 13.888 3.856 -9.753 1.00 0.00 O ATOM 0 H ASP A 76 13.425 3.221 -6.008 1.00 0.00 H new ATOM 0 HA ASP A 76 14.892 5.712 -6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.418 4.375 -7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.934 5.983 -8.186 1.00 0.00 H new ATOM 1161 N TRP A 77 11.898 5.655 -5.075 1.00 0.00 N ATOM 1162 CA TRP A 77 10.975 6.520 -4.321 1.00 0.00 C ATOM 1163 C TRP A 77 11.261 6.573 -2.819 1.00 0.00 C ATOM 1164 O TRP A 77 10.851 7.525 -2.156 1.00 0.00 O ATOM 1165 CB TRP A 77 9.525 6.077 -4.547 1.00 0.00 C ATOM 1166 CG TRP A 77 9.221 4.828 -3.758 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.209 3.561 -4.263 1.00 0.00 C ATOM 1168 CD2 TRP A 77 8.882 4.696 -2.331 1.00 0.00 C ATOM 1169 NE1 TRP A 77 8.869 2.682 -3.258 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.664 3.321 -2.057 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.736 5.611 -1.247 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.319 2.873 -0.785 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.390 5.146 0.024 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.182 3.788 0.252 1.00 0.00 C ATOM 0 H TRP A 77 11.604 4.682 -5.163 1.00 0.00 H new ATOM 0 HA TRP A 77 11.133 7.527 -4.707 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.845 6.875 -4.250 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.357 5.893 -5.608 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.430 3.291 -5.285 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.780 1.674 -3.389 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.893 6.667 -1.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.159 1.820 -0.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.283 5.847 0.838 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.913 3.444 1.240 1.00 0.00 H new ATOM 1185 N PHE A 78 11.978 5.597 -2.278 1.00 0.00 N ATOM 1186 CA PHE A 78 12.283 5.631 -0.842 1.00 0.00 C ATOM 1187 C PHE A 78 13.566 6.398 -0.581 1.00 0.00 C ATOM 1188 O PHE A 78 14.607 6.119 -1.176 1.00 0.00 O ATOM 1189 CB PHE A 78 12.412 4.215 -0.264 1.00 0.00 C ATOM 1190 CG PHE A 78 12.821 4.305 1.202 1.00 0.00 C ATOM 1191 CD1 PHE A 78 11.974 4.934 2.132 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.052 3.773 1.634 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.356 5.029 3.477 1.00 0.00 C ATOM 1194 CE2 PHE A 78 14.424 3.870 2.981 1.00 0.00 C ATOM 1195 CZ PHE A 78 13.578 4.498 3.900 1.00 0.00 C ATOM 0 H PHE A 78 12.351 4.795 -2.785 1.00 0.00 H new ATOM 0 HA PHE A 78 11.453 6.137 -0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.465 3.684 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.153 3.646 -0.826 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.028 5.344 1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 78 14.709 3.290 0.926 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.704 5.514 4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 78 15.367 3.459 3.310 1.00 0.00 H new ATOM 0 HZ PHE A 78 13.869 4.573 4.937 1.00 0.00 H new ATOM 1205 N VAL A 79 13.476 7.371 0.320 1.00 0.00 N ATOM 1206 CA VAL A 79 14.609 8.207 0.693 1.00 0.00 C ATOM 1207 C VAL A 79 14.843 8.067 2.193 1.00 0.00 C ATOM 1208 O VAL A 79 13.877 8.018 2.955 1.00 0.00 O ATOM 1209 CB VAL A 79 14.278 9.665 0.347 1.00 0.00 C ATOM 1210 CG1 VAL A 79 14.473 9.901 -1.155 1.00 0.00 C ATOM 1211 CG2 VAL A 79 12.814 9.957 0.706 1.00 0.00 C ATOM 0 H VAL A 79 12.613 7.602 0.812 1.00 0.00 H new ATOM 0 HA VAL A 79 15.507 7.903 0.156 1.00 0.00 H new ATOM 0 HB VAL A 79 14.940 10.322 0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.236 10.938 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.509 9.694 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.813 9.240 -1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.579 10.993 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.161 9.292 0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.661 9.794 1.773 1.00 0.00 H new ATOM 1221 N SER A 80 16.100 7.998 2.637 1.00 0.00 N ATOM 1222 CA SER A 80 16.393 7.858 4.068 1.00 0.00 C ATOM 1223 C SER A 80 17.332 8.965 4.535 1.00 0.00 C ATOM 1224 O SER A 80 18.273 9.338 3.835 1.00 0.00 O ATOM 1225 CB SER A 80 17.050 6.494 4.327 1.00 0.00 C ATOM 1226 OG SER A 80 18.257 6.412 3.581 1.00 0.00 O ATOM 0 H SER A 80 16.923 8.036 2.036 1.00 0.00 H new ATOM 0 HA SER A 80 15.458 7.932 4.623 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.256 6.371 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 80 16.374 5.690 4.038 1.00 0.00 H new ATOM 0 HG SER A 80 18.683 5.544 3.743 1.00 0.00 H new ATOM 1232 N GLU A 81 17.062 9.482 5.729 1.00 0.00 N ATOM 1233 CA GLU A 81 17.877 10.547 6.302 1.00 0.00 C ATOM 1234 C GLU A 81 19.334 10.106 6.411 1.00 0.00 C ATOM 1235 O GLU A 81 19.667 9.473 7.397 1.00 0.00 O ATOM 1236 CB GLU A 81 17.335 10.910 7.688 1.00 0.00 C ATOM 1237 CG GLU A 81 18.172 12.035 8.304 1.00 0.00 C ATOM 1238 CD GLU A 81 17.570 12.451 9.642 1.00 0.00 C ATOM 1239 OE1 GLU A 81 16.563 11.876 10.020 1.00 0.00 O ATOM 1240 OE2 GLU A 81 18.122 13.341 10.267 1.00 0.00 O ATOM 1241 OXT GLU A 81 20.094 10.409 5.504 1.00 0.00 O ATOM 0 H GLU A 81 16.286 9.181 6.318 1.00 0.00 H new ATOM 0 HA GLU A 81 17.830 11.420 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 81 16.294 11.223 7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 81 17.357 10.034 8.336 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.200 11.701 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.204 12.889 7.628 1.00 0.00 H new TER 1248 GLU A 81