USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 655 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 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 TYR OH : rot 180:sc= -0.0475 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 153:sc= -3.67! (180deg=-5.2!) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0441) USER MOD Single : A 16 GLN : amide:sc= -0.0896 X(o=-0.09,f=-0.09) USER MOD Single : A 20 CYS SG : rot 31:sc= -1.53 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0397 K(o=-0.04,f=-1.7!) USER MOD Single : A 38 SER OG : rot -95:sc= 0.796 USER MOD Single : A 40 LYS NZ :NH3+ 153:sc= -0.265 (180deg=-1.22!) USER MOD Single : A 42 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.39) USER MOD Single : A 47 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.64) USER MOD Single : A 53 LYS NZ :NH3+ -151:sc= 0.00991 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 104:sc= 0.764 USER MOD Single : A 67 SER OG : rot -53:sc= 0.121 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 112:sc= 0.452 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 79 LYS NZ :NH3+ -118:sc= -0.869 (180deg=-2.54!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.770 -21.783 19.702 1.00 0.00 N ATOM 2 CA GLY A 1 11.814 -20.897 19.221 1.00 0.00 C ATOM 3 C GLY A 1 12.131 -21.115 17.755 1.00 0.00 C ATOM 4 O GLY A 1 13.276 -21.388 17.395 1.00 0.00 O ATOM 0 H1 GLY A 1 10.591 -21.594 20.709 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.898 -21.620 19.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.072 -22.771 19.584 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.506 -19.862 19.373 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.717 -21.051 19.811 1.00 0.00 H new ATOM 8 N SER A 2 11.114 -20.996 16.908 1.00 0.00 N ATOM 9 CA SER A 2 11.289 -21.188 15.473 1.00 0.00 C ATOM 10 C SER A 2 11.363 -19.846 14.750 1.00 0.00 C ATOM 11 O SER A 2 10.574 -18.940 15.019 1.00 0.00 O ATOM 12 CB SER A 2 10.140 -22.024 14.905 1.00 0.00 C ATOM 13 OG SER A 2 10.044 -23.274 15.565 1.00 0.00 O ATOM 0 H SER A 2 10.161 -20.768 17.190 1.00 0.00 H new ATOM 0 HA SER A 2 12.228 -21.719 15.314 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.202 -21.479 15.013 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.295 -22.184 13.838 1.00 0.00 H new ATOM 0 HG SER A 2 9.301 -23.788 15.185 1.00 0.00 H new ATOM 19 N SER A 3 12.317 -19.728 13.832 1.00 0.00 N ATOM 20 CA SER A 3 12.497 -18.496 13.072 1.00 0.00 C ATOM 21 C SER A 3 12.499 -18.778 11.573 1.00 0.00 C ATOM 22 O SER A 3 13.219 -19.653 11.095 1.00 0.00 O ATOM 23 CB SER A 3 13.804 -17.810 13.475 1.00 0.00 C ATOM 24 OG SER A 3 13.814 -16.452 13.070 1.00 0.00 O ATOM 0 H SER A 3 12.977 -20.470 13.597 1.00 0.00 H new ATOM 0 HA SER A 3 11.662 -17.833 13.298 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.932 -17.871 14.556 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.647 -18.333 13.024 1.00 0.00 H new ATOM 0 HG SER A 3 14.659 -16.036 13.341 1.00 0.00 H new ATOM 30 N GLY A 4 11.685 -18.027 10.835 1.00 0.00 N ATOM 31 CA GLY A 4 11.607 -18.211 9.398 1.00 0.00 C ATOM 32 C GLY A 4 10.187 -18.438 8.919 1.00 0.00 C ATOM 33 O GLY A 4 9.689 -19.563 8.942 1.00 0.00 O ATOM 0 H GLY A 4 11.079 -17.296 11.207 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.019 -17.334 8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.225 -19.061 9.110 1.00 0.00 H new ATOM 37 N SER A 5 9.533 -17.365 8.484 1.00 0.00 N ATOM 38 CA SER A 5 8.159 -17.452 8.002 1.00 0.00 C ATOM 39 C SER A 5 7.987 -16.664 6.707 1.00 0.00 C ATOM 40 O SER A 5 8.640 -15.641 6.498 1.00 0.00 O ATOM 41 CB SER A 5 7.190 -16.927 9.064 1.00 0.00 C ATOM 42 OG SER A 5 6.998 -17.881 10.094 1.00 0.00 O ATOM 0 H SER A 5 9.932 -16.427 8.455 1.00 0.00 H new ATOM 0 HA SER A 5 7.935 -18.500 7.802 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.578 -16.001 9.489 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.232 -16.689 8.601 1.00 0.00 H new ATOM 0 HG SER A 5 6.376 -17.522 10.761 1.00 0.00 H new ATOM 48 N SER A 6 7.103 -17.147 5.841 1.00 0.00 N ATOM 49 CA SER A 6 6.847 -16.491 4.564 1.00 0.00 C ATOM 50 C SER A 6 6.181 -15.135 4.774 1.00 0.00 C ATOM 51 O SER A 6 5.453 -14.931 5.745 1.00 0.00 O ATOM 52 CB SER A 6 5.963 -17.375 3.681 1.00 0.00 C ATOM 53 OG SER A 6 6.570 -18.633 3.448 1.00 0.00 O ATOM 0 H SER A 6 6.552 -17.990 6.000 1.00 0.00 H new ATOM 0 HA SER A 6 7.804 -16.333 4.066 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.994 -17.518 4.159 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.778 -16.875 2.730 1.00 0.00 H new ATOM 0 HG SER A 6 5.984 -19.179 2.883 1.00 0.00 H new ATOM 59 N GLY A 7 6.437 -14.208 3.854 1.00 0.00 N ATOM 60 CA GLY A 7 5.856 -12.882 3.956 1.00 0.00 C ATOM 61 C GLY A 7 6.896 -11.785 3.858 1.00 0.00 C ATOM 62 O GLY A 7 8.093 -12.041 3.986 1.00 0.00 O ATOM 0 H GLY A 7 7.036 -14.352 3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.118 -12.750 3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.326 -12.793 4.904 1.00 0.00 H new ATOM 66 N MET A 8 6.440 -10.558 3.629 1.00 0.00 N ATOM 67 CA MET A 8 7.341 -9.417 3.513 1.00 0.00 C ATOM 68 C MET A 8 6.795 -8.214 4.276 1.00 0.00 C ATOM 69 O MET A 8 5.590 -8.102 4.495 1.00 0.00 O ATOM 70 CB MET A 8 7.549 -9.051 2.042 1.00 0.00 C ATOM 71 CG MET A 8 6.333 -8.405 1.398 1.00 0.00 C ATOM 72 SD MET A 8 6.771 -7.274 0.065 1.00 0.00 S ATOM 73 CE MET A 8 5.168 -6.997 -0.685 1.00 0.00 C ATOM 0 H MET A 8 5.452 -10.328 3.520 1.00 0.00 H new ATOM 0 HA MET A 8 8.300 -9.697 3.949 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.397 -8.371 1.962 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.809 -9.951 1.485 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.677 -9.183 1.008 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.769 -7.864 2.158 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.156 -6.020 -1.168 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.975 -7.772 -1.427 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.396 -7.031 0.084 1.00 0.00 H new ATOM 83 N GLN A 9 7.691 -7.317 4.677 1.00 0.00 N ATOM 84 CA GLN A 9 7.298 -6.124 5.416 1.00 0.00 C ATOM 85 C GLN A 9 7.224 -4.912 4.493 1.00 0.00 C ATOM 86 O GLN A 9 8.134 -4.665 3.701 1.00 0.00 O ATOM 87 CB GLN A 9 8.285 -5.854 6.553 1.00 0.00 C ATOM 88 CG GLN A 9 7.802 -4.806 7.542 1.00 0.00 C ATOM 89 CD GLN A 9 8.794 -4.558 8.662 1.00 0.00 C ATOM 90 OE1 GLN A 9 9.943 -4.996 8.596 1.00 0.00 O ATOM 91 NE2 GLN A 9 8.354 -3.853 9.698 1.00 0.00 N ATOM 0 H GLN A 9 8.693 -7.394 4.502 1.00 0.00 H new ATOM 0 HA GLN A 9 6.308 -6.298 5.838 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.475 -6.785 7.087 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.235 -5.530 6.129 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.616 -3.871 7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.851 -5.125 7.968 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.394 -3.510 9.710 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.977 -3.655 10.481 1.00 0.00 H new ATOM 100 N LEU A 10 6.134 -4.159 4.600 1.00 0.00 N ATOM 101 CA LEU A 10 5.941 -2.972 3.774 1.00 0.00 C ATOM 102 C LEU A 10 5.680 -1.743 4.640 1.00 0.00 C ATOM 103 O LEU A 10 4.951 -1.811 5.630 1.00 0.00 O ATOM 104 CB LEU A 10 4.776 -3.184 2.806 1.00 0.00 C ATOM 105 CG LEU A 10 5.027 -4.163 1.658 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.776 -4.320 0.807 1.00 0.00 C ATOM 107 CD2 LEU A 10 6.199 -3.696 0.807 1.00 0.00 C ATOM 0 H LEU A 10 5.371 -4.349 5.250 1.00 0.00 H new ATOM 0 HA LEU A 10 6.854 -2.805 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.916 -3.536 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.503 -2.218 2.380 1.00 0.00 H new ATOM 0 HG LEU A 10 5.276 -5.136 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.974 -5.020 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.962 -4.700 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.495 -3.352 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.364 -4.404 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.978 -2.713 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.096 -3.636 1.424 1.00 0.00 H new ATOM 119 N THR A 11 6.280 -0.619 4.259 1.00 0.00 N ATOM 120 CA THR A 11 6.112 0.625 4.999 1.00 0.00 C ATOM 121 C THR A 11 5.481 1.703 4.126 1.00 0.00 C ATOM 122 O THR A 11 6.129 2.253 3.235 1.00 0.00 O ATOM 123 CB THR A 11 7.458 1.142 5.542 1.00 0.00 C ATOM 124 OG1 THR A 11 8.233 0.050 6.049 1.00 0.00 O ATOM 125 CG2 THR A 11 7.239 2.169 6.642 1.00 0.00 C ATOM 0 H THR A 11 6.886 -0.545 3.442 1.00 0.00 H new ATOM 0 HA THR A 11 5.450 0.407 5.837 1.00 0.00 H new ATOM 0 HB THR A 11 7.996 1.620 4.723 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.088 0.386 6.391 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.203 2.519 7.010 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.674 3.012 6.245 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.683 1.712 7.461 1.00 0.00 H new ATOM 133 N VAL A 12 4.212 2.003 4.387 1.00 0.00 N ATOM 134 CA VAL A 12 3.494 3.018 3.625 1.00 0.00 C ATOM 135 C VAL A 12 3.764 4.413 4.178 1.00 0.00 C ATOM 136 O VAL A 12 3.419 4.718 5.320 1.00 0.00 O ATOM 137 CB VAL A 12 1.976 2.758 3.636 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.239 3.866 2.900 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.664 1.401 3.022 1.00 0.00 C ATOM 0 H VAL A 12 3.660 1.557 5.120 1.00 0.00 H new ATOM 0 HA VAL A 12 3.857 2.960 2.599 1.00 0.00 H new ATOM 0 HB VAL A 12 1.634 2.751 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.168 3.665 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.437 4.821 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.583 3.907 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.587 1.233 3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.020 1.377 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.161 0.619 3.596 1.00 0.00 H new ATOM 149 N LYS A 13 4.382 5.258 3.360 1.00 0.00 N ATOM 150 CA LYS A 13 4.697 6.623 3.765 1.00 0.00 C ATOM 151 C LYS A 13 3.907 7.632 2.938 1.00 0.00 C ATOM 152 O LYS A 13 3.937 7.600 1.708 1.00 0.00 O ATOM 153 CB LYS A 13 6.197 6.888 3.616 1.00 0.00 C ATOM 154 CG LYS A 13 6.731 7.925 4.588 1.00 0.00 C ATOM 155 CD LYS A 13 6.542 9.336 4.058 1.00 0.00 C ATOM 156 CE LYS A 13 7.676 9.740 3.129 1.00 0.00 C ATOM 157 NZ LYS A 13 8.920 10.063 3.881 1.00 0.00 N ATOM 0 H LYS A 13 4.675 5.021 2.412 1.00 0.00 H new ATOM 0 HA LYS A 13 4.416 6.739 4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.739 5.953 3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.400 7.219 2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.221 7.824 5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.790 7.743 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.593 9.401 3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.488 10.035 4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.876 8.931 2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.372 10.606 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.601 10.524 3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.693 10.704 4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.336 9.187 4.256 1.00 0.00 H new ATOM 171 N ALA A 14 3.202 8.528 3.621 1.00 0.00 N ATOM 172 CA ALA A 14 2.407 9.548 2.949 1.00 0.00 C ATOM 173 C ALA A 14 3.216 10.823 2.738 1.00 0.00 C ATOM 174 O ALA A 14 3.753 11.395 3.687 1.00 0.00 O ATOM 175 CB ALA A 14 1.147 9.847 3.748 1.00 0.00 C ATOM 0 H ALA A 14 3.165 8.568 4.640 1.00 0.00 H new ATOM 0 HA ALA A 14 2.121 9.164 1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.563 10.611 3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.552 8.938 3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.422 10.207 4.740 1.00 0.00 H new ATOM 181 N LEU A 15 3.300 11.264 1.487 1.00 0.00 N ATOM 182 CA LEU A 15 4.045 12.472 1.151 1.00 0.00 C ATOM 183 C LEU A 15 3.868 13.539 2.227 1.00 0.00 C ATOM 184 O LEU A 15 2.781 14.092 2.392 1.00 0.00 O ATOM 185 CB LEU A 15 3.587 13.017 -0.203 1.00 0.00 C ATOM 186 CG LEU A 15 3.929 12.159 -1.422 1.00 0.00 C ATOM 187 CD1 LEU A 15 3.110 12.594 -2.628 1.00 0.00 C ATOM 188 CD2 LEU A 15 5.417 12.238 -1.729 1.00 0.00 C ATOM 0 H LEU A 15 2.862 10.803 0.690 1.00 0.00 H new ATOM 0 HA LEU A 15 5.102 12.212 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.506 13.153 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.028 14.004 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 15 3.680 11.123 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.367 11.972 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.049 12.485 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.327 13.637 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.642 11.621 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.691 13.272 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.985 11.877 -0.872 1.00 0.00 H new ATOM 200 N GLN A 16 4.944 13.823 2.953 1.00 0.00 N ATOM 201 CA GLN A 16 4.907 14.825 4.012 1.00 0.00 C ATOM 202 C GLN A 16 3.669 14.648 4.886 1.00 0.00 C ATOM 203 O GLN A 16 2.967 15.613 5.188 1.00 0.00 O ATOM 204 CB GLN A 16 4.926 16.232 3.413 1.00 0.00 C ATOM 205 CG GLN A 16 6.203 16.552 2.652 1.00 0.00 C ATOM 206 CD GLN A 16 7.435 16.507 3.534 1.00 0.00 C ATOM 207 OE1 GLN A 16 7.666 17.405 4.344 1.00 0.00 O ATOM 208 NE2 GLN A 16 8.234 15.457 3.383 1.00 0.00 N ATOM 0 H GLN A 16 5.851 13.374 2.828 1.00 0.00 H new ATOM 0 HA GLN A 16 5.791 14.691 4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.075 16.343 2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.798 16.961 4.214 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.321 15.842 1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.117 17.543 2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.004 14.736 2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.077 15.372 3.951 1.00 0.00 H new ATOM 217 N GLY A 17 3.406 13.409 5.288 1.00 0.00 N ATOM 218 CA GLY A 17 2.252 13.128 6.122 1.00 0.00 C ATOM 219 C GLY A 17 2.537 12.068 7.168 1.00 0.00 C ATOM 220 O GLY A 17 3.505 12.173 7.921 1.00 0.00 O ATOM 0 H GLY A 17 3.972 12.594 5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.933 14.045 6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.424 12.800 5.493 1.00 0.00 H new ATOM 224 N ARG A 18 1.690 11.045 7.215 1.00 0.00 N ATOM 225 CA ARG A 18 1.854 9.962 8.179 1.00 0.00 C ATOM 226 C ARG A 18 2.375 8.701 7.496 1.00 0.00 C ATOM 227 O ARG A 18 2.647 8.701 6.296 1.00 0.00 O ATOM 228 CB ARG A 18 0.525 9.666 8.875 1.00 0.00 C ATOM 229 CG ARG A 18 0.071 10.770 9.817 1.00 0.00 C ATOM 230 CD ARG A 18 0.629 10.572 11.217 1.00 0.00 C ATOM 231 NE ARG A 18 -0.151 9.606 11.986 1.00 0.00 N ATOM 232 CZ ARG A 18 0.155 9.233 13.224 1.00 0.00 C ATOM 233 NH1 ARG A 18 1.218 9.743 13.830 1.00 0.00 N ATOM 234 NH2 ARG A 18 -0.604 8.349 13.858 1.00 0.00 N ATOM 0 H ARG A 18 0.884 10.943 6.598 1.00 0.00 H new ATOM 0 HA ARG A 18 2.584 10.279 8.924 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.244 9.506 8.119 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.618 8.736 9.436 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.393 11.736 9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.018 10.790 9.858 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.663 10.232 11.150 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.641 11.528 11.741 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.976 9.195 11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.803 10.424 13.346 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.450 9.455 14.780 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.423 7.955 13.395 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.368 8.063 14.808 1.00 0.00 H new ATOM 248 N GLU A 19 2.512 7.629 8.270 1.00 0.00 N ATOM 249 CA GLU A 19 3.002 6.362 7.739 1.00 0.00 C ATOM 250 C GLU A 19 2.591 5.200 8.639 1.00 0.00 C ATOM 251 O GLU A 19 2.073 5.405 9.738 1.00 0.00 O ATOM 252 CB GLU A 19 4.525 6.398 7.597 1.00 0.00 C ATOM 253 CG GLU A 19 5.252 6.666 8.904 1.00 0.00 C ATOM 254 CD GLU A 19 6.741 6.880 8.711 1.00 0.00 C ATOM 255 OE1 GLU A 19 7.447 5.894 8.414 1.00 0.00 O ATOM 256 OE2 GLU A 19 7.199 8.033 8.856 1.00 0.00 O ATOM 0 H GLU A 19 2.291 7.612 9.266 1.00 0.00 H new ATOM 0 HA GLU A 19 2.556 6.213 6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.866 5.446 7.190 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.796 7.169 6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.821 7.546 9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.094 5.827 9.582 1.00 0.00 H new ATOM 263 N CYS A 20 2.826 3.982 8.166 1.00 0.00 N ATOM 264 CA CYS A 20 2.480 2.786 8.926 1.00 0.00 C ATOM 265 C CYS A 20 3.056 1.537 8.267 1.00 0.00 C ATOM 266 O CYS A 20 3.048 1.409 7.043 1.00 0.00 O ATOM 267 CB CYS A 20 0.961 2.657 9.051 1.00 0.00 C ATOM 268 SG CYS A 20 0.092 2.605 7.466 1.00 0.00 S ATOM 0 H CYS A 20 3.255 3.796 7.259 1.00 0.00 H new ATOM 0 HA CYS A 20 2.912 2.881 9.922 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.729 1.751 9.610 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.582 3.497 9.633 1.00 0.00 H new ATOM 0 HG CYS A 20 0.852 2.045 6.573 1.00 0.00 H new ATOM 274 N SER A 21 3.557 0.619 9.088 1.00 0.00 N ATOM 275 CA SER A 21 4.143 -0.618 8.584 1.00 0.00 C ATOM 276 C SER A 21 3.154 -1.775 8.703 1.00 0.00 C ATOM 277 O SER A 21 2.298 -1.787 9.589 1.00 0.00 O ATOM 278 CB SER A 21 5.426 -0.948 9.350 1.00 0.00 C ATOM 279 OG SER A 21 5.199 -0.948 10.748 1.00 0.00 O ATOM 0 H SER A 21 3.569 0.708 10.104 1.00 0.00 H new ATOM 0 HA SER A 21 4.384 -0.475 7.531 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.798 -1.924 9.039 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.198 -0.219 9.104 1.00 0.00 H new ATOM 0 HG SER A 21 6.033 -1.163 11.215 1.00 0.00 H new ATOM 285 N LEU A 22 3.279 -2.745 7.805 1.00 0.00 N ATOM 286 CA LEU A 22 2.398 -3.908 7.807 1.00 0.00 C ATOM 287 C LEU A 22 3.131 -5.148 7.307 1.00 0.00 C ATOM 288 O LEU A 22 4.173 -5.046 6.660 1.00 0.00 O ATOM 289 CB LEU A 22 1.169 -3.642 6.936 1.00 0.00 C ATOM 290 CG LEU A 22 0.116 -2.705 7.528 1.00 0.00 C ATOM 291 CD1 LEU A 22 -0.626 -1.969 6.423 1.00 0.00 C ATOM 292 CD2 LEU A 22 -0.859 -3.482 8.401 1.00 0.00 C ATOM 0 H LEU A 22 3.982 -2.750 7.066 1.00 0.00 H new ATOM 0 HA LEU A 22 2.077 -4.088 8.833 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.505 -3.225 5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.693 -4.597 6.714 1.00 0.00 H new ATOM 0 HG LEU A 22 0.623 -1.968 8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.371 -1.307 6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.082 -1.381 5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.121 -2.691 5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.601 -2.799 8.814 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.359 -4.242 7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.316 -3.962 9.215 1.00 0.00 H new ATOM 304 N GLN A 23 2.578 -6.318 7.610 1.00 0.00 N ATOM 305 CA GLN A 23 3.180 -7.578 7.190 1.00 0.00 C ATOM 306 C GLN A 23 2.295 -8.292 6.174 1.00 0.00 C ATOM 307 O GLN A 23 1.220 -8.789 6.511 1.00 0.00 O ATOM 308 CB GLN A 23 3.418 -8.483 8.400 1.00 0.00 C ATOM 309 CG GLN A 23 4.468 -7.949 9.362 1.00 0.00 C ATOM 310 CD GLN A 23 5.060 -9.033 10.240 1.00 0.00 C ATOM 311 OE1 GLN A 23 4.434 -9.480 11.201 1.00 0.00 O ATOM 312 NE2 GLN A 23 6.274 -9.462 9.914 1.00 0.00 N ATOM 0 H GLN A 23 1.715 -6.420 8.144 1.00 0.00 H new ATOM 0 HA GLN A 23 4.137 -7.354 6.718 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.478 -8.613 8.937 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.725 -9.469 8.051 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.266 -7.471 8.794 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.021 -7.180 9.992 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.757 -9.063 9.109 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.724 -10.190 10.469 1.00 0.00 H new ATOM 321 N VAL A 24 2.753 -8.338 4.927 1.00 0.00 N ATOM 322 CA VAL A 24 2.003 -8.992 3.860 1.00 0.00 C ATOM 323 C VAL A 24 2.940 -9.644 2.850 1.00 0.00 C ATOM 324 O VAL A 24 4.065 -9.196 2.630 1.00 0.00 O ATOM 325 CB VAL A 24 1.087 -7.995 3.126 1.00 0.00 C ATOM 326 CG1 VAL A 24 -0.001 -7.483 4.057 1.00 0.00 C ATOM 327 CG2 VAL A 24 1.902 -6.841 2.560 1.00 0.00 C ATOM 0 H VAL A 24 3.640 -7.930 4.630 1.00 0.00 H new ATOM 0 HA VAL A 24 1.389 -9.760 4.329 1.00 0.00 H new ATOM 0 HB VAL A 24 0.607 -8.513 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.638 -6.780 3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.602 -8.321 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.456 -6.981 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.239 -6.146 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.411 -6.322 3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.640 -7.227 1.857 1.00 0.00 H new ATOM 337 N PRO A 25 2.466 -10.729 2.219 1.00 0.00 N ATOM 338 CA PRO A 25 3.245 -11.466 1.220 1.00 0.00 C ATOM 339 C PRO A 25 3.430 -10.675 -0.071 1.00 0.00 C ATOM 340 O PRO A 25 3.012 -9.522 -0.167 1.00 0.00 O ATOM 341 CB PRO A 25 2.400 -12.717 0.964 1.00 0.00 C ATOM 342 CG PRO A 25 1.009 -12.312 1.309 1.00 0.00 C ATOM 343 CD PRO A 25 1.134 -11.318 2.432 1.00 0.00 C ATOM 0 HA PRO A 25 4.255 -11.681 1.569 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.473 -13.038 -0.075 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.733 -13.553 1.580 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.507 -11.868 0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.416 -13.174 1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.349 -10.563 2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 25 1.059 -11.801 3.406 1.00 0.00 H new ATOM 351 N GLU A 26 4.058 -11.303 -1.060 1.00 0.00 N ATOM 352 CA GLU A 26 4.297 -10.656 -2.345 1.00 0.00 C ATOM 353 C GLU A 26 3.144 -10.919 -3.309 1.00 0.00 C ATOM 354 O GLU A 26 2.812 -10.074 -4.141 1.00 0.00 O ATOM 355 CB GLU A 26 5.610 -11.153 -2.954 1.00 0.00 C ATOM 356 CG GLU A 26 5.634 -12.650 -3.211 1.00 0.00 C ATOM 357 CD GLU A 26 6.843 -13.084 -4.017 1.00 0.00 C ATOM 358 OE1 GLU A 26 7.893 -13.370 -3.404 1.00 0.00 O ATOM 359 OE2 GLU A 26 6.739 -13.139 -5.260 1.00 0.00 O ATOM 0 H GLU A 26 4.410 -12.258 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 26 4.367 -9.582 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.786 -10.629 -3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.431 -10.894 -2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.629 -13.179 -2.258 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.726 -12.939 -3.741 1.00 0.00 H new ATOM 366 N ASP A 27 2.540 -12.096 -3.192 1.00 0.00 N ATOM 367 CA ASP A 27 1.424 -12.471 -4.053 1.00 0.00 C ATOM 368 C ASP A 27 0.104 -11.953 -3.489 1.00 0.00 C ATOM 369 O ASP A 27 -0.964 -12.477 -3.803 1.00 0.00 O ATOM 370 CB ASP A 27 1.363 -13.991 -4.212 1.00 0.00 C ATOM 371 CG ASP A 27 2.639 -14.563 -4.799 1.00 0.00 C ATOM 372 OD1 ASP A 27 2.987 -14.189 -5.938 1.00 0.00 O ATOM 373 OD2 ASP A 27 3.288 -15.386 -4.119 1.00 0.00 O ATOM 0 H ASP A 27 2.804 -12.807 -2.510 1.00 0.00 H new ATOM 0 HA ASP A 27 1.584 -12.017 -5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.177 -14.448 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.522 -14.253 -4.854 1.00 0.00 H new ATOM 378 N GLU A 28 0.188 -10.922 -2.654 1.00 0.00 N ATOM 379 CA GLU A 28 -1.000 -10.335 -2.045 1.00 0.00 C ATOM 380 C GLU A 28 -1.732 -9.435 -3.037 1.00 0.00 C ATOM 381 O GLU A 28 -1.109 -8.766 -3.862 1.00 0.00 O ATOM 382 CB GLU A 28 -0.619 -9.534 -0.798 1.00 0.00 C ATOM 383 CG GLU A 28 -1.713 -9.490 0.255 1.00 0.00 C ATOM 384 CD GLU A 28 -2.273 -10.863 0.572 1.00 0.00 C ATOM 385 OE1 GLU A 28 -1.652 -11.583 1.382 1.00 0.00 O ATOM 386 OE2 GLU A 28 -3.331 -11.218 0.012 1.00 0.00 O ATOM 0 H GLU A 28 1.065 -10.477 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.667 -11.147 -1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.279 -9.968 -0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.369 -8.515 -1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.316 -9.044 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.520 -8.844 -0.091 1.00 0.00 H new ATOM 393 N LEU A 29 -3.057 -9.424 -2.950 1.00 0.00 N ATOM 394 CA LEU A 29 -3.876 -8.607 -3.840 1.00 0.00 C ATOM 395 C LEU A 29 -3.851 -7.143 -3.411 1.00 0.00 C ATOM 396 O LEU A 29 -4.099 -6.821 -2.249 1.00 0.00 O ATOM 397 CB LEU A 29 -5.316 -9.121 -3.856 1.00 0.00 C ATOM 398 CG LEU A 29 -5.489 -10.627 -4.059 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.946 -11.025 -3.880 1.00 0.00 C ATOM 400 CD2 LEU A 29 -4.986 -11.041 -5.433 1.00 0.00 C ATOM 0 H LEU A 29 -3.588 -9.971 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.460 -8.680 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.790 -8.845 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.857 -8.603 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.896 -11.147 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.050 -12.100 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.274 -10.764 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.560 -10.497 -4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.117 -12.116 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.551 -10.513 -6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.929 -10.791 -5.524 1.00 0.00 H new ATOM 412 N VAL A 30 -3.551 -6.260 -4.358 1.00 0.00 N ATOM 413 CA VAL A 30 -3.497 -4.830 -4.080 1.00 0.00 C ATOM 414 C VAL A 30 -4.769 -4.356 -3.386 1.00 0.00 C ATOM 415 O VAL A 30 -4.751 -3.386 -2.628 1.00 0.00 O ATOM 416 CB VAL A 30 -3.296 -4.014 -5.371 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.043 -2.550 -5.044 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.153 -4.590 -6.192 1.00 0.00 C ATOM 0 H VAL A 30 -3.342 -6.510 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.645 -4.669 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.208 -4.076 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.903 -1.990 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.897 -2.146 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.147 -2.464 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.025 -4.001 -7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.234 -4.560 -5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.380 -5.622 -6.458 1.00 0.00 H new ATOM 428 N SER A 31 -5.873 -5.049 -3.648 1.00 0.00 N ATOM 429 CA SER A 31 -7.156 -4.698 -3.051 1.00 0.00 C ATOM 430 C SER A 31 -7.145 -4.960 -1.548 1.00 0.00 C ATOM 431 O SER A 31 -7.759 -4.226 -0.773 1.00 0.00 O ATOM 432 CB SER A 31 -8.284 -5.493 -3.711 1.00 0.00 C ATOM 433 OG SER A 31 -9.551 -4.946 -3.386 1.00 0.00 O ATOM 0 H SER A 31 -5.904 -5.857 -4.270 1.00 0.00 H new ATOM 0 HA SER A 31 -7.327 -3.634 -3.216 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.150 -5.491 -4.793 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.239 -6.533 -3.386 1.00 0.00 H new ATOM 0 HG SER A 31 -10.255 -5.471 -3.821 1.00 0.00 H new ATOM 439 N THR A 32 -6.442 -6.013 -1.142 1.00 0.00 N ATOM 440 CA THR A 32 -6.352 -6.374 0.267 1.00 0.00 C ATOM 441 C THR A 32 -5.217 -5.624 0.955 1.00 0.00 C ATOM 442 O THR A 32 -5.239 -5.423 2.170 1.00 0.00 O ATOM 443 CB THR A 32 -6.134 -7.888 0.446 1.00 0.00 C ATOM 444 OG1 THR A 32 -7.193 -8.614 -0.188 1.00 0.00 O ATOM 445 CG2 THR A 32 -6.071 -8.256 1.920 1.00 0.00 C ATOM 0 H THR A 32 -5.927 -6.631 -1.769 1.00 0.00 H new ATOM 0 HA THR A 32 -7.300 -6.094 0.726 1.00 0.00 H new ATOM 0 HB THR A 32 -5.184 -8.153 -0.018 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.046 -9.576 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.917 -9.330 2.021 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.245 -7.725 2.393 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.006 -7.977 2.405 1.00 0.00 H new ATOM 453 N LEU A 33 -4.226 -5.212 0.172 1.00 0.00 N ATOM 454 CA LEU A 33 -3.082 -4.482 0.706 1.00 0.00 C ATOM 455 C LEU A 33 -3.472 -3.055 1.080 1.00 0.00 C ATOM 456 O LEU A 33 -2.838 -2.429 1.930 1.00 0.00 O ATOM 457 CB LEU A 33 -1.944 -4.460 -0.316 1.00 0.00 C ATOM 458 CG LEU A 33 -1.198 -5.779 -0.518 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.665 -5.880 -1.939 1.00 0.00 C ATOM 460 CD2 LEU A 33 -0.064 -5.910 0.489 1.00 0.00 C ATOM 0 H LEU A 33 -4.192 -5.371 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.744 -4.994 1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.351 -4.145 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.223 -3.701 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.899 -6.598 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.137 -6.826 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.496 -5.833 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.020 -5.054 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.456 -6.855 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.636 -5.084 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.471 -5.885 1.500 1.00 0.00 H new ATOM 472 N LYS A 34 -4.520 -2.547 0.442 1.00 0.00 N ATOM 473 CA LYS A 34 -4.998 -1.196 0.709 1.00 0.00 C ATOM 474 C LYS A 34 -5.950 -1.182 1.901 1.00 0.00 C ATOM 475 O LYS A 34 -5.792 -0.381 2.822 1.00 0.00 O ATOM 476 CB LYS A 34 -5.702 -0.628 -0.526 1.00 0.00 C ATOM 477 CG LYS A 34 -4.745 -0.158 -1.608 1.00 0.00 C ATOM 478 CD LYS A 34 -5.361 -0.286 -2.991 1.00 0.00 C ATOM 479 CE LYS A 34 -4.763 0.719 -3.963 1.00 0.00 C ATOM 480 NZ LYS A 34 -5.424 2.050 -3.862 1.00 0.00 N ATOM 0 H LYS A 34 -5.055 -3.051 -0.265 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.136 -0.573 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.361 -1.391 -0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.333 0.207 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.470 0.881 -1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.827 -0.743 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.204 -1.296 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.438 -0.134 -2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.697 0.827 -3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.860 0.342 -4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.988 2.707 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.437 1.952 -4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.310 2.422 -2.898 1.00 0.00 H new ATOM 494 N GLN A 35 -6.936 -2.072 1.876 1.00 0.00 N ATOM 495 CA GLN A 35 -7.913 -2.161 2.955 1.00 0.00 C ATOM 496 C GLN A 35 -7.219 -2.265 4.309 1.00 0.00 C ATOM 497 O GLN A 35 -7.710 -1.745 5.312 1.00 0.00 O ATOM 498 CB GLN A 35 -8.829 -3.368 2.744 1.00 0.00 C ATOM 499 CG GLN A 35 -9.709 -3.255 1.510 1.00 0.00 C ATOM 500 CD GLN A 35 -10.305 -4.586 1.094 1.00 0.00 C ATOM 501 OE1 GLN A 35 -9.941 -5.635 1.626 1.00 0.00 O ATOM 502 NE2 GLN A 35 -11.227 -4.549 0.139 1.00 0.00 N ATOM 0 H GLN A 35 -7.080 -2.742 1.120 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.514 -1.252 2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.218 -4.267 2.664 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.463 -3.491 3.622 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.514 -2.546 1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.122 -2.851 0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.498 -3.657 -0.274 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.664 -5.413 -0.182 1.00 0.00 H new ATOM 511 N LEU A 36 -6.075 -2.940 4.332 1.00 0.00 N ATOM 512 CA LEU A 36 -5.313 -3.113 5.564 1.00 0.00 C ATOM 513 C LEU A 36 -4.814 -1.771 6.089 1.00 0.00 C ATOM 514 O LEU A 36 -4.966 -1.459 7.270 1.00 0.00 O ATOM 515 CB LEU A 36 -4.129 -4.052 5.326 1.00 0.00 C ATOM 516 CG LEU A 36 -4.479 -5.503 4.994 1.00 0.00 C ATOM 517 CD1 LEU A 36 -3.386 -6.136 4.147 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.698 -6.304 6.270 1.00 0.00 C ATOM 0 H LEU A 36 -5.655 -3.376 3.512 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.973 -3.552 6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.529 -3.648 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.501 -4.045 6.217 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.405 -5.511 4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.653 -7.168 3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.277 -5.577 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.444 -6.116 4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.946 -7.334 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.788 -6.288 6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.517 -5.864 6.840 1.00 0.00 H new ATOM 530 N VAL A 37 -4.220 -0.978 5.202 1.00 0.00 N ATOM 531 CA VAL A 37 -3.702 0.333 5.575 1.00 0.00 C ATOM 532 C VAL A 37 -4.822 1.251 6.052 1.00 0.00 C ATOM 533 O VAL A 37 -4.617 2.097 6.922 1.00 0.00 O ATOM 534 CB VAL A 37 -2.971 1.003 4.397 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.366 2.330 4.829 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.902 0.077 3.837 1.00 0.00 C ATOM 0 H VAL A 37 -4.086 -1.221 4.220 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.995 0.174 6.389 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.696 1.202 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.854 2.789 3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.157 2.994 5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.653 2.159 5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.396 0.567 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.177 -0.155 4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.366 -0.845 3.487 1.00 0.00 H new ATOM 546 N SER A 38 -6.008 1.076 5.478 1.00 0.00 N ATOM 547 CA SER A 38 -7.161 1.891 5.842 1.00 0.00 C ATOM 548 C SER A 38 -7.373 1.888 7.353 1.00 0.00 C ATOM 549 O SER A 38 -7.473 2.944 7.978 1.00 0.00 O ATOM 550 CB SER A 38 -8.418 1.377 5.138 1.00 0.00 C ATOM 551 OG SER A 38 -9.046 0.357 5.895 1.00 0.00 O ATOM 0 H SER A 38 -6.196 0.377 4.759 1.00 0.00 H new ATOM 0 HA SER A 38 -6.967 2.915 5.522 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.115 2.201 4.984 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.155 0.993 4.152 1.00 0.00 H new ATOM 0 HG SER A 38 -8.751 -0.520 5.571 1.00 0.00 H new ATOM 557 N GLU A 39 -7.441 0.694 7.932 1.00 0.00 N ATOM 558 CA GLU A 39 -7.642 0.553 9.370 1.00 0.00 C ATOM 559 C GLU A 39 -6.409 1.019 10.139 1.00 0.00 C ATOM 560 O GLU A 39 -6.514 1.517 11.260 1.00 0.00 O ATOM 561 CB GLU A 39 -7.958 -0.902 9.723 1.00 0.00 C ATOM 562 CG GLU A 39 -9.204 -1.437 9.038 1.00 0.00 C ATOM 563 CD GLU A 39 -9.836 -2.589 9.796 1.00 0.00 C ATOM 564 OE1 GLU A 39 -10.645 -2.325 10.710 1.00 0.00 O ATOM 565 OE2 GLU A 39 -9.523 -3.754 9.473 1.00 0.00 O ATOM 0 H GLU A 39 -7.360 -0.189 7.428 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.486 1.180 9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.107 -1.526 9.450 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.082 -0.986 10.803 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.932 -0.632 8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.948 -1.766 8.031 1.00 0.00 H new ATOM 572 N LYS A 40 -5.240 0.852 9.530 1.00 0.00 N ATOM 573 CA LYS A 40 -3.986 1.255 10.155 1.00 0.00 C ATOM 574 C LYS A 40 -3.985 2.750 10.458 1.00 0.00 C ATOM 575 O LYS A 40 -3.630 3.171 11.560 1.00 0.00 O ATOM 576 CB LYS A 40 -2.805 0.906 9.248 1.00 0.00 C ATOM 577 CG LYS A 40 -2.244 -0.485 9.486 1.00 0.00 C ATOM 578 CD LYS A 40 -1.133 -0.469 10.522 1.00 0.00 C ATOM 579 CE LYS A 40 -1.689 -0.483 11.938 1.00 0.00 C ATOM 580 NZ LYS A 40 -2.644 -1.607 12.147 1.00 0.00 N ATOM 0 H LYS A 40 -5.135 0.440 8.603 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.886 0.712 11.095 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.120 0.988 8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.013 1.639 9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.043 -1.148 9.818 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.863 -0.890 8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.486 -1.334 10.376 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.516 0.418 10.381 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.868 -0.567 12.650 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.191 0.463 12.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.650 -1.875 13.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.599 -1.309 11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.351 -2.423 11.573 1.00 0.00 H new ATOM 594 N LEU A 41 -4.384 3.548 9.474 1.00 0.00 N ATOM 595 CA LEU A 41 -4.431 4.997 9.635 1.00 0.00 C ATOM 596 C LEU A 41 -5.869 5.483 9.782 1.00 0.00 C ATOM 597 O LEU A 41 -6.127 6.685 9.830 1.00 0.00 O ATOM 598 CB LEU A 41 -3.767 5.685 8.440 1.00 0.00 C ATOM 599 CG LEU A 41 -2.289 5.362 8.216 1.00 0.00 C ATOM 600 CD1 LEU A 41 -1.875 5.717 6.796 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.423 6.100 9.226 1.00 0.00 C ATOM 0 H LEU A 41 -4.680 3.216 8.556 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.886 5.254 10.543 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.318 5.415 7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.868 6.763 8.565 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.145 4.291 8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.820 5.481 6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.474 5.143 6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.034 6.782 6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.375 5.858 9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.571 7.174 9.116 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.702 5.797 10.235 1.00 0.00 H new ATOM 613 N ASN A 42 -6.803 4.540 9.854 1.00 0.00 N ATOM 614 CA ASN A 42 -8.215 4.872 9.997 1.00 0.00 C ATOM 615 C ASN A 42 -8.690 5.739 8.835 1.00 0.00 C ATOM 616 O ASN A 42 -9.626 6.527 8.976 1.00 0.00 O ATOM 617 CB ASN A 42 -8.459 5.597 11.322 1.00 0.00 C ATOM 618 CG ASN A 42 -9.906 5.514 11.769 1.00 0.00 C ATOM 619 OD1 ASN A 42 -10.709 6.399 11.476 1.00 0.00 O ATOM 620 ND2 ASN A 42 -10.244 4.447 12.483 1.00 0.00 N ATOM 0 H ASN A 42 -6.607 3.540 9.816 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.784 3.942 9.990 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.819 5.166 12.092 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.173 6.644 11.218 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.203 4.337 12.812 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.545 3.738 12.702 1.00 0.00 H new ATOM 627 N VAL A 43 -8.040 5.588 7.686 1.00 0.00 N ATOM 628 CA VAL A 43 -8.396 6.355 6.499 1.00 0.00 C ATOM 629 C VAL A 43 -9.055 5.468 5.448 1.00 0.00 C ATOM 630 O VAL A 43 -8.639 4.335 5.208 1.00 0.00 O ATOM 631 CB VAL A 43 -7.162 7.036 5.879 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.541 7.771 4.602 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.519 7.986 6.879 1.00 0.00 C ATOM 0 H VAL A 43 -7.263 4.941 7.552 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.102 7.121 6.818 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.434 6.266 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.656 8.246 4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.952 7.063 3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.288 8.532 4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.648 8.459 6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.239 8.752 7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.209 7.429 7.763 1.00 0.00 H new ATOM 643 N PRO A 44 -10.108 5.995 4.805 1.00 0.00 N ATOM 644 CA PRO A 44 -10.846 5.268 3.768 1.00 0.00 C ATOM 645 C PRO A 44 -10.031 5.091 2.492 1.00 0.00 C ATOM 646 O PRO A 44 -9.495 6.057 1.947 1.00 0.00 O ATOM 647 CB PRO A 44 -12.062 6.161 3.507 1.00 0.00 C ATOM 648 CG PRO A 44 -11.620 7.528 3.900 1.00 0.00 C ATOM 649 CD PRO A 44 -10.658 7.340 5.041 1.00 0.00 C ATOM 0 HA PRO A 44 -11.102 4.256 4.083 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.360 6.127 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.923 5.839 4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.140 8.038 3.065 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.469 8.141 4.202 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.877 8.100 5.037 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.161 7.405 6.006 1.00 0.00 H new ATOM 657 N VAL A 45 -9.941 3.852 2.019 1.00 0.00 N ATOM 658 CA VAL A 45 -9.193 3.550 0.805 1.00 0.00 C ATOM 659 C VAL A 45 -9.554 4.515 -0.319 1.00 0.00 C ATOM 660 O VAL A 45 -8.734 4.802 -1.191 1.00 0.00 O ATOM 661 CB VAL A 45 -9.451 2.107 0.331 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.537 1.756 -0.833 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.265 1.128 1.480 1.00 0.00 C ATOM 0 H VAL A 45 -10.377 3.041 2.458 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.137 3.661 1.049 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.482 2.035 -0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.734 0.733 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.724 2.439 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.497 1.844 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.451 0.114 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.245 1.200 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.965 1.368 2.280 1.00 0.00 H new ATOM 673 N ARG A 46 -10.786 5.012 -0.291 1.00 0.00 N ATOM 674 CA ARG A 46 -11.257 5.944 -1.308 1.00 0.00 C ATOM 675 C ARG A 46 -10.309 7.133 -1.437 1.00 0.00 C ATOM 676 O ARG A 46 -10.006 7.580 -2.542 1.00 0.00 O ATOM 677 CB ARG A 46 -12.665 6.436 -0.967 1.00 0.00 C ATOM 678 CG ARG A 46 -13.770 5.540 -1.503 1.00 0.00 C ATOM 679 CD ARG A 46 -14.147 5.914 -2.928 1.00 0.00 C ATOM 680 NE ARG A 46 -14.787 4.806 -3.633 1.00 0.00 N ATOM 681 CZ ARG A 46 -15.107 4.842 -4.921 1.00 0.00 C ATOM 682 NH1 ARG A 46 -14.846 5.923 -5.643 1.00 0.00 N ATOM 683 NH2 ARG A 46 -15.687 3.794 -5.492 1.00 0.00 N ATOM 0 H ARG A 46 -11.476 4.785 0.425 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.284 5.418 -2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.762 6.510 0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.797 7.441 -1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.444 4.500 -1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.647 5.618 -0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.820 6.771 -2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.253 6.221 -3.471 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.000 3.958 -3.107 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.398 6.730 -5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.093 5.947 -6.632 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.888 2.959 -4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.932 3.823 -6.482 1.00 0.00 H new ATOM 697 N GLN A 47 -9.844 7.638 -0.298 1.00 0.00 N ATOM 698 CA GLN A 47 -8.931 8.775 -0.285 1.00 0.00 C ATOM 699 C GLN A 47 -7.491 8.320 -0.496 1.00 0.00 C ATOM 700 O GLN A 47 -6.921 8.513 -1.570 1.00 0.00 O ATOM 701 CB GLN A 47 -9.049 9.535 1.038 1.00 0.00 C ATOM 702 CG GLN A 47 -10.244 10.473 1.096 1.00 0.00 C ATOM 703 CD GLN A 47 -10.113 11.519 2.185 1.00 0.00 C ATOM 704 OE1 GLN A 47 -10.670 11.373 3.273 1.00 0.00 O ATOM 705 NE2 GLN A 47 -9.373 12.583 1.897 1.00 0.00 N ATOM 0 H GLN A 47 -10.084 7.278 0.626 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.206 9.439 -1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.121 8.817 1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.138 10.111 1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.358 10.970 0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.150 9.891 1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.929 12.663 0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.248 13.320 2.591 1.00 0.00 H new ATOM 714 N GLN A 48 -6.909 7.715 0.535 1.00 0.00 N ATOM 715 CA GLN A 48 -5.535 7.234 0.461 1.00 0.00 C ATOM 716 C GLN A 48 -5.303 6.446 -0.824 1.00 0.00 C ATOM 717 O GLN A 48 -6.173 5.699 -1.272 1.00 0.00 O ATOM 718 CB GLN A 48 -5.213 6.360 1.674 1.00 0.00 C ATOM 719 CG GLN A 48 -6.015 5.070 1.725 1.00 0.00 C ATOM 720 CD GLN A 48 -5.633 4.191 2.900 1.00 0.00 C ATOM 721 OE1 GLN A 48 -5.202 4.682 3.943 1.00 0.00 O ATOM 722 NE2 GLN A 48 -5.789 2.882 2.735 1.00 0.00 N ATOM 0 H GLN A 48 -7.368 7.547 1.430 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.873 8.100 0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.150 6.117 1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.401 6.931 2.583 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.077 5.309 1.785 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.865 4.516 0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.150 2.519 1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.548 2.240 3.490 1.00 0.00 H new ATOM 731 N ARG A 49 -4.124 6.619 -1.413 1.00 0.00 N ATOM 732 CA ARG A 49 -3.778 5.925 -2.648 1.00 0.00 C ATOM 733 C ARG A 49 -2.339 5.419 -2.602 1.00 0.00 C ATOM 734 O ARG A 49 -1.431 6.135 -2.178 1.00 0.00 O ATOM 735 CB ARG A 49 -3.965 6.853 -3.849 1.00 0.00 C ATOM 736 CG ARG A 49 -3.880 6.141 -5.189 1.00 0.00 C ATOM 737 CD ARG A 49 -4.544 6.948 -6.293 1.00 0.00 C ATOM 738 NE ARG A 49 -6.000 6.903 -6.204 1.00 0.00 N ATOM 739 CZ ARG A 49 -6.809 7.473 -7.090 1.00 0.00 C ATOM 740 NH1 ARG A 49 -6.305 8.127 -8.128 1.00 0.00 N ATOM 741 NH2 ARG A 49 -8.125 7.389 -6.940 1.00 0.00 N ATOM 0 H ARG A 49 -3.393 7.233 -1.055 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.444 5.068 -2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.934 7.345 -3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.207 7.635 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.835 5.966 -5.443 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.357 5.164 -5.114 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.209 7.984 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.228 6.564 -7.263 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.420 6.406 -5.418 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.294 8.193 -8.247 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.928 8.564 -8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.516 6.886 -6.144 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.745 7.827 -7.621 1.00 0.00 H new ATOM 755 N LEU A 50 -2.139 4.181 -3.041 1.00 0.00 N ATOM 756 CA LEU A 50 -0.810 3.578 -3.050 1.00 0.00 C ATOM 757 C LEU A 50 -0.102 3.841 -4.374 1.00 0.00 C ATOM 758 O LEU A 50 -0.708 3.755 -5.443 1.00 0.00 O ATOM 759 CB LEU A 50 -0.911 2.072 -2.803 1.00 0.00 C ATOM 760 CG LEU A 50 -1.275 1.648 -1.379 1.00 0.00 C ATOM 761 CD1 LEU A 50 -1.375 0.133 -1.283 1.00 0.00 C ATOM 762 CD2 LEU A 50 -0.254 2.182 -0.386 1.00 0.00 C ATOM 0 H LEU A 50 -2.879 3.575 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.226 4.033 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.656 1.661 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.044 1.616 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.248 2.072 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.635 -0.151 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.145 -0.225 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.417 -0.313 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.529 1.871 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.732 1.788 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.233 3.271 -0.436 1.00 0.00 H new ATOM 774 N LEU A 51 1.186 4.161 -4.297 1.00 0.00 N ATOM 775 CA LEU A 51 1.979 4.435 -5.491 1.00 0.00 C ATOM 776 C LEU A 51 3.372 3.825 -5.370 1.00 0.00 C ATOM 777 O LEU A 51 3.980 3.847 -4.300 1.00 0.00 O ATOM 778 CB LEU A 51 2.087 5.943 -5.720 1.00 0.00 C ATOM 779 CG LEU A 51 0.887 6.607 -6.395 1.00 0.00 C ATOM 780 CD1 LEU A 51 0.950 8.118 -6.230 1.00 0.00 C ATOM 781 CD2 LEU A 51 0.828 6.232 -7.869 1.00 0.00 C ATOM 0 H LEU A 51 1.703 4.237 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 51 1.476 3.980 -6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.249 6.426 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.972 6.136 -6.326 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.022 6.247 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.088 8.573 -6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.942 8.369 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.865 8.496 -6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.033 6.714 -8.333 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.740 6.563 -8.365 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.734 5.150 -7.966 1.00 0.00 H new ATOM 793 N PHE A 52 3.873 3.285 -6.476 1.00 0.00 N ATOM 794 CA PHE A 52 5.196 2.671 -6.495 1.00 0.00 C ATOM 795 C PHE A 52 6.019 3.189 -7.670 1.00 0.00 C ATOM 796 O PHE A 52 5.676 2.963 -8.831 1.00 0.00 O ATOM 797 CB PHE A 52 5.073 1.148 -6.575 1.00 0.00 C ATOM 798 CG PHE A 52 6.371 0.428 -6.340 1.00 0.00 C ATOM 799 CD1 PHE A 52 6.856 0.249 -5.055 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.105 -0.069 -7.405 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.050 -0.411 -4.837 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.300 -0.731 -7.193 1.00 0.00 C ATOM 803 CZ PHE A 52 8.772 -0.903 -5.907 1.00 0.00 C ATOM 0 H PHE A 52 3.383 3.260 -7.370 1.00 0.00 H new ATOM 0 HA PHE A 52 5.707 2.939 -5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.342 0.811 -5.840 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.687 0.874 -7.557 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.295 0.629 -4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.739 0.062 -8.413 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.419 -0.542 -3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.863 -1.113 -8.032 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.704 -1.421 -5.738 1.00 0.00 H new ATOM 813 N LYS A 53 7.108 3.885 -7.361 1.00 0.00 N ATOM 814 CA LYS A 53 7.982 4.435 -8.390 1.00 0.00 C ATOM 815 C LYS A 53 7.186 5.258 -9.398 1.00 0.00 C ATOM 816 O LYS A 53 7.583 5.395 -10.554 1.00 0.00 O ATOM 817 CB LYS A 53 8.728 3.310 -9.110 1.00 0.00 C ATOM 818 CG LYS A 53 9.536 2.423 -8.178 1.00 0.00 C ATOM 819 CD LYS A 53 10.682 3.186 -7.536 1.00 0.00 C ATOM 820 CE LYS A 53 11.566 2.268 -6.705 1.00 0.00 C ATOM 821 NZ LYS A 53 11.002 2.035 -5.347 1.00 0.00 N ATOM 0 H LYS A 53 7.406 4.081 -6.406 1.00 0.00 H new ATOM 0 HA LYS A 53 8.706 5.089 -7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.008 2.695 -9.650 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.396 3.746 -9.853 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.885 2.021 -7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.930 1.573 -8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.280 3.666 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.283 3.979 -6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.683 1.314 -7.218 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.560 2.705 -6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.776 1.855 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.469 2.875 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.366 1.212 -5.372 1.00 0.00 H new ATOM 835 N GLY A 54 6.059 5.805 -8.951 1.00 0.00 N ATOM 836 CA GLY A 54 5.226 6.608 -9.826 1.00 0.00 C ATOM 837 C GLY A 54 4.234 5.772 -10.610 1.00 0.00 C ATOM 838 O GLY A 54 3.699 6.219 -11.625 1.00 0.00 O ATOM 0 H GLY A 54 5.709 5.706 -7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.686 7.345 -9.232 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.860 7.160 -10.520 1.00 0.00 H new ATOM 842 N LYS A 55 3.989 4.553 -10.142 1.00 0.00 N ATOM 843 CA LYS A 55 3.056 3.651 -10.805 1.00 0.00 C ATOM 844 C LYS A 55 1.764 3.520 -10.005 1.00 0.00 C ATOM 845 O LYS A 55 1.791 3.249 -8.805 1.00 0.00 O ATOM 846 CB LYS A 55 3.693 2.272 -10.993 1.00 0.00 C ATOM 847 CG LYS A 55 2.968 1.399 -12.003 1.00 0.00 C ATOM 848 CD LYS A 55 3.910 0.401 -12.655 1.00 0.00 C ATOM 849 CE LYS A 55 4.724 1.046 -13.766 1.00 0.00 C ATOM 850 NZ LYS A 55 4.032 0.961 -15.081 1.00 0.00 N ATOM 0 H LYS A 55 4.425 4.167 -9.304 1.00 0.00 H new ATOM 0 HA LYS A 55 2.817 4.071 -11.782 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.727 2.399 -11.312 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.717 1.758 -10.032 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.157 0.865 -11.508 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.515 2.027 -12.770 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.582 -0.011 -11.903 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.335 -0.432 -13.060 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.910 2.092 -13.520 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.696 0.557 -13.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.619 1.412 -15.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.877 -0.037 -15.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.116 1.449 -15.023 1.00 0.00 H new ATOM 864 N ALA A 56 0.634 3.712 -10.678 1.00 0.00 N ATOM 865 CA ALA A 56 -0.668 3.612 -10.031 1.00 0.00 C ATOM 866 C ALA A 56 -1.147 2.165 -9.981 1.00 0.00 C ATOM 867 O ALA A 56 -1.368 1.538 -11.018 1.00 0.00 O ATOM 868 CB ALA A 56 -1.685 4.483 -10.754 1.00 0.00 C ATOM 0 H ALA A 56 0.594 3.938 -11.672 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.565 3.968 -9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.653 4.399 -10.260 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.356 5.522 -10.732 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.776 4.153 -11.789 1.00 0.00 H new ATOM 874 N LEU A 57 -1.304 1.640 -8.771 1.00 0.00 N ATOM 875 CA LEU A 57 -1.756 0.266 -8.587 1.00 0.00 C ATOM 876 C LEU A 57 -3.262 0.154 -8.806 1.00 0.00 C ATOM 877 O LEU A 57 -3.999 1.122 -8.625 1.00 0.00 O ATOM 878 CB LEU A 57 -1.396 -0.227 -7.184 1.00 0.00 C ATOM 879 CG LEU A 57 -0.104 0.333 -6.588 1.00 0.00 C ATOM 880 CD1 LEU A 57 0.218 -0.354 -5.270 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.049 0.175 -7.569 1.00 0.00 C ATOM 0 H LEU A 57 -1.125 2.145 -7.903 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.252 -0.358 -9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.219 0.018 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.319 -1.314 -7.211 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.247 1.396 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.141 0.058 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.597 -0.189 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.341 -1.424 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.960 0.579 -7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.193 -0.882 -7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.821 0.714 -8.488 1.00 0.00 H new ATOM 893 N ALA A 58 -3.711 -1.035 -9.194 1.00 0.00 N ATOM 894 CA ALA A 58 -5.129 -1.275 -9.433 1.00 0.00 C ATOM 895 C ALA A 58 -5.654 -2.397 -8.543 1.00 0.00 C ATOM 896 O ALA A 58 -5.090 -3.491 -8.510 1.00 0.00 O ATOM 897 CB ALA A 58 -5.369 -1.605 -10.899 1.00 0.00 C ATOM 0 H ALA A 58 -3.114 -1.847 -9.350 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.673 -0.364 -9.183 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.432 -1.782 -11.063 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.040 -0.770 -11.518 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.807 -2.499 -11.167 1.00 0.00 H new ATOM 903 N ASP A 59 -6.735 -2.118 -7.824 1.00 0.00 N ATOM 904 CA ASP A 59 -7.337 -3.105 -6.934 1.00 0.00 C ATOM 905 C ASP A 59 -7.677 -4.384 -7.691 1.00 0.00 C ATOM 906 O ASP A 59 -8.642 -4.429 -8.453 1.00 0.00 O ATOM 907 CB ASP A 59 -8.596 -2.533 -6.281 1.00 0.00 C ATOM 908 CG ASP A 59 -9.578 -1.986 -7.299 1.00 0.00 C ATOM 909 OD1 ASP A 59 -9.421 -0.816 -7.706 1.00 0.00 O ATOM 910 OD2 ASP A 59 -10.504 -2.729 -7.688 1.00 0.00 O ATOM 0 H ASP A 59 -7.213 -1.217 -7.839 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.612 -3.347 -6.157 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.082 -3.311 -5.693 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.314 -1.739 -5.589 1.00 0.00 H new ATOM 915 N GLY A 60 -6.876 -5.424 -7.477 1.00 0.00 N ATOM 916 CA GLY A 60 -7.108 -6.690 -8.147 1.00 0.00 C ATOM 917 C GLY A 60 -5.819 -7.414 -8.481 1.00 0.00 C ATOM 918 O GLY A 60 -5.743 -8.639 -8.384 1.00 0.00 O ATOM 0 H GLY A 60 -6.071 -5.412 -6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.724 -7.326 -7.512 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.671 -6.515 -9.064 1.00 0.00 H new ATOM 922 N LYS A 61 -4.802 -6.656 -8.876 1.00 0.00 N ATOM 923 CA LYS A 61 -3.509 -7.232 -9.226 1.00 0.00 C ATOM 924 C LYS A 61 -2.731 -7.625 -7.974 1.00 0.00 C ATOM 925 O LYS A 61 -3.239 -7.518 -6.857 1.00 0.00 O ATOM 926 CB LYS A 61 -2.692 -6.238 -10.055 1.00 0.00 C ATOM 927 CG LYS A 61 -3.198 -6.073 -11.478 1.00 0.00 C ATOM 928 CD LYS A 61 -2.121 -5.511 -12.391 1.00 0.00 C ATOM 929 CE LYS A 61 -2.675 -5.180 -13.768 1.00 0.00 C ATOM 930 NZ LYS A 61 -1.924 -4.069 -14.415 1.00 0.00 N ATOM 0 H LYS A 61 -4.848 -5.641 -8.962 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.688 -8.129 -9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.704 -5.267 -9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.654 -6.568 -10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.533 -7.037 -11.860 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.063 -5.410 -11.483 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.695 -4.613 -11.943 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.311 -6.234 -12.488 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.629 -6.066 -14.401 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.726 -4.905 -13.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.332 -3.873 -15.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.989 -3.216 -13.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.926 -4.341 -14.522 1.00 0.00 H new ATOM 944 N ARG A 62 -1.498 -8.079 -8.167 1.00 0.00 N ATOM 945 CA ARG A 62 -0.650 -8.488 -7.053 1.00 0.00 C ATOM 946 C ARG A 62 0.701 -7.781 -7.110 1.00 0.00 C ATOM 947 O ARG A 62 1.328 -7.702 -8.167 1.00 0.00 O ATOM 948 CB ARG A 62 -0.446 -10.004 -7.069 1.00 0.00 C ATOM 949 CG ARG A 62 -1.732 -10.794 -6.893 1.00 0.00 C ATOM 950 CD ARG A 62 -1.608 -12.197 -7.467 1.00 0.00 C ATOM 951 NE ARG A 62 -1.459 -12.183 -8.919 1.00 0.00 N ATOM 952 CZ ARG A 62 -1.050 -13.230 -9.627 1.00 0.00 C ATOM 953 NH1 ARG A 62 -0.751 -14.369 -9.018 1.00 0.00 N ATOM 954 NH2 ARG A 62 -0.941 -13.139 -10.946 1.00 0.00 N ATOM 0 H ARG A 62 -1.063 -8.173 -9.085 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.149 -8.206 -6.126 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.019 -10.289 -8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.249 -10.277 -6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.981 -10.854 -5.834 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.552 -10.270 -7.384 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.749 -12.697 -7.019 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.491 -12.778 -7.199 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.681 -11.321 -9.418 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.835 -14.443 -8.004 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.437 -15.172 -9.563 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.171 -12.264 -11.418 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.627 -13.944 -11.488 1.00 0.00 H new ATOM 968 N LEU A 63 1.142 -7.268 -5.967 1.00 0.00 N ATOM 969 CA LEU A 63 2.419 -6.567 -5.885 1.00 0.00 C ATOM 970 C LEU A 63 3.504 -7.322 -6.645 1.00 0.00 C ATOM 971 O LEU A 63 4.335 -6.719 -7.324 1.00 0.00 O ATOM 972 CB LEU A 63 2.833 -6.389 -4.424 1.00 0.00 C ATOM 973 CG LEU A 63 1.982 -5.423 -3.598 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.324 -5.541 -2.120 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.178 -3.993 -4.080 1.00 0.00 C ATOM 0 H LEU A 63 0.634 -7.324 -5.084 1.00 0.00 H new ATOM 0 HA LEU A 63 2.297 -5.585 -6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.812 -7.365 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.866 -6.043 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 63 0.933 -5.689 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.709 -4.847 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.132 -6.559 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.377 -5.302 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.565 -3.320 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.227 -3.715 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.883 -3.918 -5.127 1.00 0.00 H new ATOM 987 N SER A 64 3.490 -8.646 -6.528 1.00 0.00 N ATOM 988 CA SER A 64 4.474 -9.485 -7.202 1.00 0.00 C ATOM 989 C SER A 64 4.574 -9.122 -8.681 1.00 0.00 C ATOM 990 O SER A 64 5.668 -9.054 -9.242 1.00 0.00 O ATOM 991 CB SER A 64 4.106 -10.962 -7.051 1.00 0.00 C ATOM 992 OG SER A 64 5.239 -11.792 -7.239 1.00 0.00 O ATOM 0 H SER A 64 2.807 -9.161 -5.972 1.00 0.00 H new ATOM 0 HA SER A 64 5.444 -9.311 -6.736 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.685 -11.136 -6.061 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.335 -11.224 -7.776 1.00 0.00 H new ATOM 0 HG SER A 64 5.551 -12.121 -6.370 1.00 0.00 H new ATOM 998 N ASP A 65 3.425 -8.890 -9.306 1.00 0.00 N ATOM 999 CA ASP A 65 3.382 -8.534 -10.719 1.00 0.00 C ATOM 1000 C ASP A 65 4.091 -7.205 -10.966 1.00 0.00 C ATOM 1001 O ASP A 65 4.693 -6.998 -12.020 1.00 0.00 O ATOM 1002 CB ASP A 65 1.933 -8.451 -11.202 1.00 0.00 C ATOM 1003 CG ASP A 65 1.819 -8.549 -12.710 1.00 0.00 C ATOM 1004 OD1 ASP A 65 1.854 -9.682 -13.236 1.00 0.00 O ATOM 1005 OD2 ASP A 65 1.694 -7.494 -13.366 1.00 0.00 O ATOM 0 H ASP A 65 2.511 -8.942 -8.856 1.00 0.00 H new ATOM 0 HA ASP A 65 3.900 -9.312 -11.281 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.354 -9.253 -10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.495 -7.510 -10.868 1.00 0.00 H new ATOM 1010 N TYR A 66 4.014 -6.309 -9.989 1.00 0.00 N ATOM 1011 CA TYR A 66 4.645 -4.999 -10.102 1.00 0.00 C ATOM 1012 C TYR A 66 6.134 -5.083 -9.780 1.00 0.00 C ATOM 1013 O TYR A 66 6.806 -4.062 -9.630 1.00 0.00 O ATOM 1014 CB TYR A 66 3.964 -4.000 -9.165 1.00 0.00 C ATOM 1015 CG TYR A 66 2.635 -3.495 -9.681 1.00 0.00 C ATOM 1016 CD1 TYR A 66 2.576 -2.487 -10.635 1.00 0.00 C ATOM 1017 CD2 TYR A 66 1.439 -4.026 -9.214 1.00 0.00 C ATOM 1018 CE1 TYR A 66 1.364 -2.022 -11.108 1.00 0.00 C ATOM 1019 CE2 TYR A 66 0.223 -3.568 -9.682 1.00 0.00 C ATOM 1020 CZ TYR A 66 0.191 -2.566 -10.629 1.00 0.00 C ATOM 1021 OH TYR A 66 -1.018 -2.106 -11.099 1.00 0.00 O ATOM 0 H TYR A 66 3.521 -6.465 -9.110 1.00 0.00 H new ATOM 0 HA TYR A 66 4.533 -4.656 -11.131 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.812 -4.471 -8.194 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.629 -3.151 -9.007 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.493 -2.060 -11.013 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.461 -4.811 -8.472 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.335 -1.237 -11.849 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.697 -3.992 -9.309 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.746 -2.594 -10.661 1.00 0.00 H new ATOM 1031 N SER A 67 6.642 -6.306 -9.675 1.00 0.00 N ATOM 1032 CA SER A 67 8.051 -6.524 -9.368 1.00 0.00 C ATOM 1033 C SER A 67 8.426 -5.871 -8.042 1.00 0.00 C ATOM 1034 O SER A 67 9.558 -5.424 -7.855 1.00 0.00 O ATOM 1035 CB SER A 67 8.931 -5.969 -10.490 1.00 0.00 C ATOM 1036 OG SER A 67 10.235 -6.523 -10.436 1.00 0.00 O ATOM 0 H SER A 67 6.100 -7.161 -9.798 1.00 0.00 H new ATOM 0 HA SER A 67 8.217 -7.598 -9.283 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.478 -6.191 -11.456 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.990 -4.884 -10.408 1.00 0.00 H new ATOM 0 HG SER A 67 10.604 -6.403 -9.536 1.00 0.00 H new ATOM 1042 N ILE A 68 7.466 -5.818 -7.124 1.00 0.00 N ATOM 1043 CA ILE A 68 7.695 -5.220 -5.814 1.00 0.00 C ATOM 1044 C ILE A 68 7.999 -6.287 -4.768 1.00 0.00 C ATOM 1045 O ILE A 68 7.091 -6.910 -4.219 1.00 0.00 O ATOM 1046 CB ILE A 68 6.479 -4.396 -5.352 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.245 -3.216 -6.298 1.00 0.00 C ATOM 1048 CG2 ILE A 68 6.683 -3.906 -3.926 1.00 0.00 C ATOM 1049 CD1 ILE A 68 4.928 -2.509 -6.068 1.00 0.00 C ATOM 0 H ILE A 68 6.523 -6.182 -7.263 1.00 0.00 H new ATOM 0 HA ILE A 68 8.555 -4.558 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 68 5.596 -5.035 -5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.058 -2.500 -6.180 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.281 -3.573 -7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.815 -3.325 -3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.806 -4.761 -3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.574 -3.280 -3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.830 -1.684 -6.774 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.108 -3.211 -6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.896 -2.121 -5.050 1.00 0.00 H new ATOM 1061 N GLY A 69 9.284 -6.492 -4.495 1.00 0.00 N ATOM 1062 CA GLY A 69 9.686 -7.483 -3.514 1.00 0.00 C ATOM 1063 C GLY A 69 9.601 -6.960 -2.094 1.00 0.00 C ATOM 1064 O GLY A 69 8.903 -5.987 -1.808 1.00 0.00 O ATOM 0 H GLY A 69 10.054 -5.989 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.052 -8.365 -3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.708 -7.801 -3.721 1.00 0.00 H new ATOM 1068 N PRO A 70 10.324 -7.616 -1.174 1.00 0.00 N ATOM 1069 CA PRO A 70 10.343 -7.230 0.240 1.00 0.00 C ATOM 1070 C PRO A 70 11.068 -5.909 0.471 1.00 0.00 C ATOM 1071 O PRO A 70 11.682 -5.359 -0.443 1.00 0.00 O ATOM 1072 CB PRO A 70 11.100 -8.379 0.911 1.00 0.00 C ATOM 1073 CG PRO A 70 11.955 -8.950 -0.167 1.00 0.00 C ATOM 1074 CD PRO A 70 11.178 -8.785 -1.443 1.00 0.00 C ATOM 0 HA PRO A 70 9.338 -7.075 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.702 -8.022 1.746 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.414 -9.126 1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.912 -8.430 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.174 -10.001 0.024 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.836 -8.614 -2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.586 -9.671 -1.670 1.00 0.00 H new ATOM 1082 N ASN A 71 10.993 -5.404 1.698 1.00 0.00 N ATOM 1083 CA ASN A 71 11.643 -4.146 2.048 1.00 0.00 C ATOM 1084 C ASN A 71 11.358 -3.076 0.998 1.00 0.00 C ATOM 1085 O ASN A 71 12.265 -2.375 0.550 1.00 0.00 O ATOM 1086 CB ASN A 71 13.152 -4.350 2.189 1.00 0.00 C ATOM 1087 CG ASN A 71 13.501 -5.377 3.248 1.00 0.00 C ATOM 1088 OD1 ASN A 71 13.732 -6.547 2.943 1.00 0.00 O ATOM 1089 ND2 ASN A 71 13.540 -4.943 4.503 1.00 0.00 N ATOM 0 H ASN A 71 10.489 -5.846 2.466 1.00 0.00 H new ATOM 0 HA ASN A 71 11.238 -3.809 3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.564 -4.666 1.231 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.622 -3.399 2.440 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.768 -5.589 5.259 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.342 -3.964 4.711 1.00 0.00 H new ATOM 1096 N SER A 72 10.092 -2.957 0.610 1.00 0.00 N ATOM 1097 CA SER A 72 9.688 -1.975 -0.389 1.00 0.00 C ATOM 1098 C SER A 72 8.900 -0.838 0.254 1.00 0.00 C ATOM 1099 O SER A 72 7.974 -1.070 1.032 1.00 0.00 O ATOM 1100 CB SER A 72 8.847 -2.642 -1.479 1.00 0.00 C ATOM 1101 OG SER A 72 9.670 -3.220 -2.477 1.00 0.00 O ATOM 0 H SER A 72 9.329 -3.528 0.972 1.00 0.00 H new ATOM 0 HA SER A 72 10.589 -1.559 -0.839 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.214 -3.411 -1.035 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.183 -1.906 -1.932 1.00 0.00 H new ATOM 0 HG SER A 72 9.594 -4.196 -2.439 1.00 0.00 H new ATOM 1107 N LYS A 73 9.274 0.394 -0.076 1.00 0.00 N ATOM 1108 CA LYS A 73 8.603 1.569 0.466 1.00 0.00 C ATOM 1109 C LYS A 73 7.519 2.065 -0.486 1.00 0.00 C ATOM 1110 O LYS A 73 7.805 2.452 -1.620 1.00 0.00 O ATOM 1111 CB LYS A 73 9.617 2.685 0.728 1.00 0.00 C ATOM 1112 CG LYS A 73 9.226 3.606 1.871 1.00 0.00 C ATOM 1113 CD LYS A 73 9.974 4.927 1.803 1.00 0.00 C ATOM 1114 CE LYS A 73 9.661 5.806 3.005 1.00 0.00 C ATOM 1115 NZ LYS A 73 10.590 5.546 4.139 1.00 0.00 N ATOM 0 H LYS A 73 10.039 0.604 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 73 8.132 1.286 1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.587 2.239 0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.736 3.277 -0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.153 3.792 1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.436 3.117 2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.046 4.737 1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.705 5.452 0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.727 6.855 2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.635 5.628 3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.344 6.164 4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.509 4.552 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.567 5.740 3.839 1.00 0.00 H new ATOM 1129 N LEU A 74 6.276 2.052 -0.018 1.00 0.00 N ATOM 1130 CA LEU A 74 5.149 2.503 -0.828 1.00 0.00 C ATOM 1131 C LEU A 74 4.795 3.952 -0.509 1.00 0.00 C ATOM 1132 O LEU A 74 4.978 4.413 0.616 1.00 0.00 O ATOM 1133 CB LEU A 74 3.934 1.604 -0.591 1.00 0.00 C ATOM 1134 CG LEU A 74 3.819 0.379 -1.498 1.00 0.00 C ATOM 1135 CD1 LEU A 74 2.951 -0.687 -0.848 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.255 0.772 -2.856 1.00 0.00 C ATOM 0 H LEU A 74 6.023 1.734 0.918 1.00 0.00 H new ATOM 0 HA LEU A 74 5.439 2.442 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.955 1.264 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.033 2.206 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 74 4.817 -0.034 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.881 -1.551 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.395 -0.990 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.954 -0.285 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.180 -0.112 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.265 1.210 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.915 1.500 -3.327 1.00 0.00 H new ATOM 1148 N ASN A 75 4.283 4.664 -1.508 1.00 0.00 N ATOM 1149 CA ASN A 75 3.901 6.060 -1.334 1.00 0.00 C ATOM 1150 C ASN A 75 2.388 6.196 -1.185 1.00 0.00 C ATOM 1151 O ASN A 75 1.624 5.632 -1.969 1.00 0.00 O ATOM 1152 CB ASN A 75 4.384 6.895 -2.521 1.00 0.00 C ATOM 1153 CG ASN A 75 5.816 7.365 -2.353 1.00 0.00 C ATOM 1154 OD1 ASN A 75 6.684 6.606 -1.920 1.00 0.00 O ATOM 1155 ND2 ASN A 75 6.070 8.624 -2.694 1.00 0.00 N ATOM 0 H ASN A 75 4.123 4.297 -2.446 1.00 0.00 H new ATOM 0 HA ASN A 75 4.373 6.428 -0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.303 6.305 -3.434 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.732 7.760 -2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.015 8.997 -2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.320 9.218 -3.048 1.00 0.00 H new ATOM 1162 N LEU A 76 1.964 6.947 -0.175 1.00 0.00 N ATOM 1163 CA LEU A 76 0.543 7.158 0.077 1.00 0.00 C ATOM 1164 C LEU A 76 0.122 8.568 -0.323 1.00 0.00 C ATOM 1165 O LEU A 76 0.746 9.551 0.079 1.00 0.00 O ATOM 1166 CB LEU A 76 0.225 6.918 1.554 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.257 6.818 1.915 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.768 5.404 1.685 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.485 7.241 3.358 1.00 0.00 C ATOM 0 H LEU A 76 2.584 7.420 0.483 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.017 6.446 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.717 5.997 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.666 7.727 2.136 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.815 7.494 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.825 5.352 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.641 5.137 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.205 4.708 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.546 7.163 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.915 6.591 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.158 8.272 3.491 1.00 0.00 H new ATOM 1181 N VAL A 77 -0.942 8.661 -1.115 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.448 9.951 -1.566 1.00 0.00 C ATOM 1183 C VAL A 77 -2.854 10.207 -1.034 1.00 0.00 C ATOM 1184 O VAL A 77 -3.679 9.296 -0.967 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.470 10.039 -3.104 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.721 11.470 -3.554 1.00 0.00 C ATOM 1187 CG2 VAL A 77 -0.169 9.508 -3.686 1.00 0.00 C ATOM 0 H VAL A 77 -1.470 7.858 -1.457 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.771 10.710 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.287 9.419 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.733 11.512 -4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.682 11.810 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.928 12.115 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.202 9.578 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.666 10.099 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.038 8.466 -3.393 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.119 11.453 -0.655 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.426 11.830 -0.129 1.00 0.00 C ATOM 1199 C VAL A 78 -5.176 12.725 -1.110 1.00 0.00 C ATOM 1200 O VAL A 78 -4.812 13.883 -1.314 1.00 0.00 O ATOM 1201 CB VAL A 78 -4.298 12.561 1.221 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -5.670 12.954 1.747 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -3.560 11.692 2.228 1.00 0.00 C ATOM 0 H VAL A 78 -2.446 12.218 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.987 10.907 0.018 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.719 13.472 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.560 13.469 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.158 13.616 1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.277 12.059 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.478 12.223 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.110 10.763 2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.562 11.466 1.851 1.00 0.00 H new ATOM 1213 N LYS A 79 -6.226 12.180 -1.715 1.00 0.00 N ATOM 1214 CA LYS A 79 -7.030 12.928 -2.674 1.00 0.00 C ATOM 1215 C LYS A 79 -7.840 14.015 -1.974 1.00 0.00 C ATOM 1216 O LYS A 79 -8.325 13.839 -0.856 1.00 0.00 O ATOM 1217 CB LYS A 79 -7.969 11.985 -3.429 1.00 0.00 C ATOM 1218 CG LYS A 79 -7.243 10.965 -4.290 1.00 0.00 C ATOM 1219 CD LYS A 79 -6.998 11.494 -5.693 1.00 0.00 C ATOM 1220 CE LYS A 79 -6.725 10.365 -6.675 1.00 0.00 C ATOM 1221 NZ LYS A 79 -6.333 10.878 -8.016 1.00 0.00 N ATOM 0 H LYS A 79 -6.540 11.222 -1.558 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.354 13.403 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.598 11.460 -2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.632 12.575 -4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.291 10.707 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.830 10.048 -4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.866 12.064 -6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.151 12.180 -5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.932 9.728 -6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.615 9.743 -6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.033 10.573 -8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.294 11.917 -7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.397 10.502 -8.271 1.00 0.00 H new ATOM 1235 N PRO A 80 -7.992 15.166 -2.645 1.00 0.00 N ATOM 1236 CA PRO A 80 -8.744 16.303 -2.107 1.00 0.00 C ATOM 1237 C PRO A 80 -10.243 16.029 -2.044 1.00 0.00 C ATOM 1238 O PRO A 80 -10.775 15.247 -2.834 1.00 0.00 O ATOM 1239 CB PRO A 80 -8.448 17.428 -3.103 1.00 0.00 C ATOM 1240 CG PRO A 80 -8.119 16.729 -4.377 1.00 0.00 C ATOM 1241 CD PRO A 80 -7.441 15.446 -3.982 1.00 0.00 C ATOM 0 HA PRO A 80 -8.454 16.535 -1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -9.308 18.087 -3.223 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.617 18.047 -2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.020 16.532 -4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.466 17.340 -5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.662 14.642 -4.684 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.357 15.556 -3.955 1.00 0.00 H new ATOM 1249 N LEU A 81 -10.919 16.676 -1.102 1.00 0.00 N ATOM 1250 CA LEU A 81 -12.358 16.502 -0.936 1.00 0.00 C ATOM 1251 C LEU A 81 -13.130 17.424 -1.875 1.00 0.00 C ATOM 1252 O LEU A 81 -14.302 17.190 -2.167 1.00 0.00 O ATOM 1253 CB LEU A 81 -12.761 16.778 0.513 1.00 0.00 C ATOM 1254 CG LEU A 81 -12.741 15.575 1.456 1.00 0.00 C ATOM 1255 CD1 LEU A 81 -13.652 14.474 0.938 1.00 0.00 C ATOM 1256 CD2 LEU A 81 -11.320 15.057 1.628 1.00 0.00 C ATOM 0 H LEU A 81 -10.494 17.326 -0.441 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.605 15.470 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.094 17.541 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.766 17.200 0.515 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.111 15.895 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -13.624 13.626 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.673 14.850 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.313 14.155 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.324 14.201 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.923 14.754 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.694 15.845 2.046 1.00 0.00 H new TER 1268 LEU A 81