USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 817 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 31 HIS : no HE2:sc= -0.892 K(o=-0.89,f=-3!) USER MOD Set 1.2: A 41 THR OG1 : rot 160:sc= 0 USER MOD Set 2.1: A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -58:sc= 0.459 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc=-0.00211 USER MOD Single : A 65 ASN : amide:sc= -0.0678 X(o=-0.068,f=0.19) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 33:sc= 0.151 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 143:sc= 0.381 (180deg=0.0201) USER MOD Single : B 1 VAL N :NH3+ -123:sc= -0.51 (180deg=-2.1!) USER MOD Single : B 3 SER OG : rot -150:sc= -0.0771 USER MOD Single : B 7 SER OG : rot -42:sc= 0.0258 USER MOD Single : B 8 SER OG : rot 175:sc= 0.0806 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.961 -30.998 -6.073 1.00 0.00 N ATOM 2 CA GLY A 1 -9.287 -31.351 -4.788 1.00 0.00 C ATOM 3 C GLY A 1 -9.227 -30.184 -3.809 1.00 0.00 C ATOM 4 O GLY A 1 -10.235 -29.915 -3.100 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.973 -31.829 -6.699 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.937 -30.695 -5.881 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.443 -30.224 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.816 -32.182 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.274 -31.695 -4.997 1.00 0.00 H new ATOM 10 N ALA A 2 -7.988 -29.484 -3.778 1.00 0.00 N ATOM 11 CA ALA A 2 -7.641 -28.275 -2.891 1.00 0.00 C ATOM 12 C ALA A 2 -7.487 -26.922 -3.697 1.00 0.00 C ATOM 13 O ALA A 2 -7.000 -26.918 -4.886 1.00 0.00 O ATOM 14 CB ALA A 2 -6.341 -28.552 -2.054 1.00 0.00 C ATOM 0 H ALA A 2 -7.208 -29.756 -4.377 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.490 -28.145 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.115 -27.684 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.497 -29.422 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.507 -28.743 -2.730 1.00 0.00 H new ATOM 20 N MET A 3 -7.961 -25.762 -3.012 1.00 0.00 N ATOM 21 CA MET A 3 -7.818 -24.317 -3.488 1.00 0.00 C ATOM 22 C MET A 3 -6.632 -23.497 -2.719 1.00 0.00 C ATOM 23 O MET A 3 -6.124 -23.951 -1.661 1.00 0.00 O ATOM 24 CB MET A 3 -9.268 -23.532 -3.662 1.00 0.00 C ATOM 25 CG MET A 3 -10.185 -23.301 -2.418 1.00 0.00 C ATOM 26 SD MET A 3 -11.780 -22.585 -2.876 1.00 0.00 S ATOM 27 CE MET A 3 -12.582 -22.465 -1.282 1.00 0.00 C ATOM 0 H MET A 3 -8.448 -25.829 -2.119 1.00 0.00 H new ATOM 0 HA MET A 3 -7.451 -24.362 -4.513 1.00 0.00 H new ATOM 0 HB2 MET A 3 -9.057 -22.554 -4.096 1.00 0.00 H new ATOM 0 HB3 MET A 3 -9.851 -24.087 -4.396 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.347 -24.250 -1.906 1.00 0.00 H new ATOM 0 HG3 MET A 3 -9.680 -22.640 -1.713 1.00 0.00 H new ATOM 0 HE1 MET A 3 -13.578 -22.039 -1.407 1.00 0.00 H new ATOM 0 HE2 MET A 3 -12.665 -23.458 -0.841 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.993 -21.824 -0.626 1.00 0.00 H new ATOM 37 N GLU A 4 -6.250 -22.299 -3.329 1.00 0.00 N ATOM 38 CA GLU A 4 -5.099 -21.330 -2.950 1.00 0.00 C ATOM 39 C GLU A 4 -5.671 -19.850 -2.602 1.00 0.00 C ATOM 40 O GLU A 4 -6.917 -19.614 -2.708 1.00 0.00 O ATOM 41 CB GLU A 4 -3.962 -21.283 -4.123 1.00 0.00 C ATOM 42 CG GLU A 4 -3.068 -22.571 -4.304 1.00 0.00 C ATOM 43 CD GLU A 4 -2.003 -22.463 -5.421 1.00 0.00 C ATOM 44 OE1 GLU A 4 -2.310 -22.833 -6.588 1.00 0.00 O ATOM 45 OE2 GLU A 4 -0.853 -22.038 -5.122 1.00 0.00 O ATOM 0 H GLU A 4 -6.759 -21.956 -4.144 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.619 -21.710 -2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.461 -21.081 -5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.303 -20.438 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.566 -22.784 -3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.716 -23.420 -4.519 1.00 0.00 H new ATOM 52 N MET A 5 -4.716 -18.845 -2.180 1.00 0.00 N ATOM 53 CA MET A 5 -5.021 -17.368 -1.800 1.00 0.00 C ATOM 54 C MET A 5 -5.417 -16.403 -3.057 1.00 0.00 C ATOM 55 O MET A 5 -5.031 -16.701 -4.228 1.00 0.00 O ATOM 56 CB MET A 5 -3.927 -16.746 -0.742 1.00 0.00 C ATOM 57 CG MET A 5 -2.423 -16.629 -1.162 1.00 0.00 C ATOM 58 SD MET A 5 -1.362 -16.095 0.200 1.00 0.00 S ATOM 59 CE MET A 5 0.245 -16.107 -0.592 1.00 0.00 C ATOM 0 H MET A 5 -3.722 -19.060 -2.102 1.00 0.00 H new ATOM 0 HA MET A 5 -5.956 -17.397 -1.241 1.00 0.00 H new ATOM 0 HB2 MET A 5 -4.268 -15.747 -0.470 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.967 -17.353 0.162 1.00 0.00 H new ATOM 0 HG2 MET A 5 -2.076 -17.594 -1.531 1.00 0.00 H new ATOM 0 HG3 MET A 5 -2.334 -15.922 -1.986 1.00 0.00 H new ATOM 0 HE1 MET A 5 1.006 -15.799 0.125 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.468 -17.113 -0.948 1.00 0.00 H new ATOM 0 HE3 MET A 5 0.240 -15.417 -1.435 1.00 0.00 H new ATOM 69 N GLU A 6 -6.151 -15.244 -2.726 1.00 0.00 N ATOM 70 CA GLU A 6 -6.849 -14.290 -3.723 1.00 0.00 C ATOM 71 C GLU A 6 -6.267 -12.822 -3.744 1.00 0.00 C ATOM 72 O GLU A 6 -6.272 -12.108 -2.711 1.00 0.00 O ATOM 73 CB GLU A 6 -8.501 -14.378 -3.720 1.00 0.00 C ATOM 74 CG GLU A 6 -9.304 -14.163 -2.348 1.00 0.00 C ATOM 75 CD GLU A 6 -10.839 -14.275 -2.482 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.502 -13.230 -2.726 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.380 -15.401 -2.313 1.00 0.00 O ATOM 0 H GLU A 6 -6.274 -14.947 -1.758 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.574 -14.690 -4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.868 -13.639 -4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.776 -15.359 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.960 -14.899 -1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.057 -13.180 -1.947 1.00 0.00 H new ATOM 84 N TYR A 7 -5.763 -12.416 -4.986 1.00 0.00 N ATOM 85 CA TYR A 7 -5.088 -11.065 -5.297 1.00 0.00 C ATOM 86 C TYR A 7 -6.028 -10.080 -6.082 1.00 0.00 C ATOM 87 O TYR A 7 -6.819 -10.520 -6.997 1.00 0.00 O ATOM 88 CB TYR A 7 -3.705 -11.280 -6.095 1.00 0.00 C ATOM 89 CG TYR A 7 -2.545 -12.126 -5.425 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.515 -13.539 -5.484 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.489 -11.491 -4.795 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.479 -14.262 -4.940 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.433 -12.220 -4.238 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.433 -13.601 -4.323 1.00 0.00 C ATOM 95 OH TYR A 7 0.608 -14.320 -3.779 1.00 0.00 O ATOM 0 H TYR A 7 -5.813 -13.020 -5.806 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.873 -10.600 -4.335 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.947 -11.752 -7.047 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.301 -10.293 -6.322 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.326 -14.063 -5.968 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.480 -10.413 -4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.483 -15.341 -4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.379 -11.707 -3.744 1.00 0.00 H new ATOM 0 HH TYR A 7 1.260 -13.704 -3.385 1.00 0.00 H new ATOM 105 N GLU A 8 -5.926 -8.711 -5.687 1.00 0.00 N ATOM 106 CA GLU A 8 -6.789 -7.573 -6.253 1.00 0.00 C ATOM 107 C GLU A 8 -5.886 -6.374 -6.797 1.00 0.00 C ATOM 108 O GLU A 8 -4.973 -5.862 -6.073 1.00 0.00 O ATOM 109 CB GLU A 8 -7.936 -7.098 -5.151 1.00 0.00 C ATOM 110 CG GLU A 8 -9.238 -6.273 -5.639 1.00 0.00 C ATOM 111 CD GLU A 8 -10.315 -7.075 -6.441 1.00 0.00 C ATOM 112 OE1 GLU A 8 -10.219 -7.124 -7.693 1.00 0.00 O ATOM 113 OE2 GLU A 8 -11.249 -7.626 -5.806 1.00 0.00 O ATOM 0 H GLU A 8 -5.257 -8.393 -4.986 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.336 -7.944 -7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.292 -7.997 -4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.431 -6.491 -4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.718 -5.843 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.902 -5.441 -6.258 1.00 0.00 H new ATOM 120 N GLU A 9 -6.176 -5.983 -8.131 1.00 0.00 N ATOM 121 CA GLU A 9 -5.559 -4.803 -8.884 1.00 0.00 C ATOM 122 C GLU A 9 -6.549 -3.560 -8.986 1.00 0.00 C ATOM 123 O GLU A 9 -7.620 -3.633 -9.689 1.00 0.00 O ATOM 124 CB GLU A 9 -4.828 -5.214 -10.297 1.00 0.00 C ATOM 125 CG GLU A 9 -5.656 -5.982 -11.446 1.00 0.00 C ATOM 126 CD GLU A 9 -4.836 -6.304 -12.715 1.00 0.00 C ATOM 127 OE1 GLU A 9 -4.224 -7.405 -12.775 1.00 0.00 O ATOM 128 OE2 GLU A 9 -4.831 -5.469 -13.659 1.00 0.00 O ATOM 0 H GLU A 9 -6.851 -6.493 -8.701 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.729 -4.459 -8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.439 -4.296 -10.738 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.969 -5.837 -10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.047 -6.913 -11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.514 -5.372 -11.728 1.00 0.00 H new ATOM 135 N ILE A 10 -6.171 -2.450 -8.209 1.00 0.00 N ATOM 136 CA ILE A 10 -6.971 -1.126 -8.096 1.00 0.00 C ATOM 137 C ILE A 10 -6.124 0.083 -8.800 1.00 0.00 C ATOM 138 O ILE A 10 -4.881 0.176 -8.629 1.00 0.00 O ATOM 139 CB ILE A 10 -7.440 -0.789 -6.485 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.234 -2.029 -5.797 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.381 0.522 -6.359 1.00 0.00 C ATOM 142 CD1 ILE A 10 -7.937 -2.276 -4.279 1.00 0.00 C ATOM 0 H ILE A 10 -5.317 -2.444 -7.651 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.911 -1.228 -8.638 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.499 -0.612 -5.964 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.304 -1.859 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.993 -2.939 -6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.644 0.682 -5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.844 1.393 -6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.289 0.375 -6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.521 -3.126 -3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.876 -2.485 -4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.207 -1.389 -3.706 1.00 0.00 H new ATOM 154 N THR A 11 -6.904 0.980 -9.578 1.00 0.00 N ATOM 155 CA THR A 11 -6.398 2.243 -10.299 1.00 0.00 C ATOM 156 C THR A 11 -7.176 3.525 -9.709 1.00 0.00 C ATOM 157 O THR A 11 -8.450 3.590 -9.714 1.00 0.00 O ATOM 158 CB THR A 11 -6.514 2.140 -11.956 1.00 0.00 C ATOM 159 OG1 THR A 11 -6.220 0.795 -12.404 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.476 3.061 -12.697 1.00 0.00 C ATOM 0 H THR A 11 -7.904 0.835 -9.715 1.00 0.00 H new ATOM 0 HA THR A 11 -5.331 2.348 -10.104 1.00 0.00 H new ATOM 0 HB THR A 11 -7.533 2.448 -12.191 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.294 0.752 -13.380 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.598 2.953 -13.775 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.645 4.100 -12.415 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.464 2.769 -12.415 1.00 0.00 H new ATOM 168 N LEU A 12 -6.315 4.509 -9.205 1.00 0.00 N ATOM 169 CA LEU A 12 -6.682 5.844 -8.570 1.00 0.00 C ATOM 170 C LEU A 12 -6.234 7.094 -9.416 1.00 0.00 C ATOM 171 O LEU A 12 -5.215 7.049 -10.171 1.00 0.00 O ATOM 172 CB LEU A 12 -6.057 5.977 -7.026 1.00 0.00 C ATOM 173 CG LEU A 12 -6.798 5.448 -5.683 1.00 0.00 C ATOM 174 CD1 LEU A 12 -8.160 6.107 -5.358 1.00 0.00 C ATOM 175 CD2 LEU A 12 -6.848 3.922 -5.529 1.00 0.00 C ATOM 0 H LEU A 12 -5.304 4.379 -9.236 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.771 5.848 -8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.087 5.481 -7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.868 7.039 -6.868 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.118 5.810 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.563 5.677 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.023 7.180 -5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.855 5.929 -6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.362 3.666 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.385 3.489 -6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.833 3.526 -5.502 1.00 0.00 H new ATOM 187 N GLU A 13 -7.086 8.215 -9.277 1.00 0.00 N ATOM 188 CA GLU A 13 -6.817 9.645 -9.766 1.00 0.00 C ATOM 189 C GLU A 13 -6.485 10.516 -8.471 1.00 0.00 C ATOM 190 O GLU A 13 -7.284 10.521 -7.461 1.00 0.00 O ATOM 191 CB GLU A 13 -8.071 10.294 -10.558 1.00 0.00 C ATOM 192 CG GLU A 13 -8.553 9.592 -11.862 1.00 0.00 C ATOM 193 CD GLU A 13 -9.834 10.188 -12.494 1.00 0.00 C ATOM 194 OE1 GLU A 13 -10.955 9.725 -12.143 1.00 0.00 O ATOM 195 OE2 GLU A 13 -9.713 11.094 -13.365 1.00 0.00 O ATOM 0 H GLU A 13 -7.991 8.136 -8.813 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.992 9.628 -10.479 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.915 10.336 -9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.812 11.323 -10.808 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.750 9.635 -12.598 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.730 8.539 -11.645 1.00 0.00 H new ATOM 202 N ARG A 14 -5.254 11.229 -8.508 1.00 0.00 N ATOM 203 CA ARG A 14 -4.575 12.098 -7.396 1.00 0.00 C ATOM 204 C ARG A 14 -5.571 13.214 -6.753 1.00 0.00 C ATOM 205 O ARG A 14 -6.063 14.151 -7.467 1.00 0.00 O ATOM 206 CB ARG A 14 -3.194 12.700 -7.998 1.00 0.00 C ATOM 207 CG ARG A 14 -2.098 13.228 -7.005 1.00 0.00 C ATOM 208 CD ARG A 14 -0.913 13.826 -7.765 1.00 0.00 C ATOM 209 NE ARG A 14 0.139 14.415 -6.836 1.00 0.00 N ATOM 210 CZ ARG A 14 1.238 15.269 -7.135 1.00 0.00 C ATOM 211 NH1 ARG A 14 1.544 15.725 -8.395 1.00 0.00 N ATOM 212 NH2 ARG A 14 2.021 15.652 -6.135 1.00 0.00 N ATOM 0 H ARG A 14 -4.682 11.213 -9.352 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.332 11.471 -6.538 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.736 11.924 -8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.456 13.521 -8.666 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.531 13.982 -6.347 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.753 12.412 -6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.455 13.054 -8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.273 14.603 -8.440 1.00 0.00 H new ATOM 0 HE ARG A 14 0.042 14.160 -5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.966 15.453 -9.190 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.349 16.336 -8.535 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.827 15.335 -5.185 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.817 16.264 -6.316 1.00 0.00 H new ATOM 226 N GLY A 15 -5.860 12.989 -5.380 1.00 0.00 N ATOM 227 CA GLY A 15 -6.835 13.821 -4.491 1.00 0.00 C ATOM 228 C GLY A 15 -6.530 15.359 -4.266 1.00 0.00 C ATOM 229 O GLY A 15 -5.413 15.847 -4.597 1.00 0.00 O ATOM 0 H GLY A 15 -5.423 12.227 -4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.831 13.741 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.877 13.345 -3.511 1.00 0.00 H new ATOM 233 N ASN A 16 -7.583 16.096 -3.655 1.00 0.00 N ATOM 234 CA ASN A 16 -7.607 17.641 -3.326 1.00 0.00 C ATOM 235 C ASN A 16 -6.592 18.112 -2.162 1.00 0.00 C ATOM 236 O ASN A 16 -6.032 19.247 -2.237 1.00 0.00 O ATOM 237 CB ASN A 16 -9.105 18.170 -3.044 1.00 0.00 C ATOM 238 CG ASN A 16 -10.073 18.180 -4.269 1.00 0.00 C ATOM 239 OD1 ASN A 16 -10.754 17.186 -4.546 1.00 0.00 O ATOM 240 ND2 ASN A 16 -10.150 19.318 -4.973 1.00 0.00 N ATOM 0 H ASN A 16 -8.449 15.637 -3.372 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.231 18.114 -4.233 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.546 17.550 -2.263 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.042 19.184 -2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.786 19.384 -5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.572 20.118 -4.714 1.00 0.00 H new ATOM 247 N SER A 17 -6.370 17.166 -1.115 1.00 0.00 N ATOM 248 CA SER A 17 -5.377 17.280 0.047 1.00 0.00 C ATOM 249 C SER A 17 -4.034 16.375 -0.144 1.00 0.00 C ATOM 250 O SER A 17 -2.987 16.658 0.530 1.00 0.00 O ATOM 251 CB SER A 17 -6.104 17.017 1.455 1.00 0.00 C ATOM 252 OG SER A 17 -6.760 15.735 1.539 1.00 0.00 O ATOM 0 H SER A 17 -6.898 16.294 -1.075 1.00 0.00 H new ATOM 0 HA SER A 17 -5.018 18.309 0.045 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.366 17.091 2.254 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.839 17.803 1.627 1.00 0.00 H new ATOM 0 HG SER A 17 -7.179 15.639 2.420 1.00 0.00 H new ATOM 258 N GLY A 18 -4.096 15.325 -1.138 1.00 0.00 N ATOM 259 CA GLY A 18 -3.018 14.313 -1.436 1.00 0.00 C ATOM 260 C GLY A 18 -3.454 12.898 -1.030 1.00 0.00 C ATOM 261 O GLY A 18 -2.823 12.276 -0.158 1.00 0.00 O ATOM 0 H GLY A 18 -4.917 15.198 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.782 14.332 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.106 14.582 -0.903 1.00 0.00 H new ATOM 265 N LEU A 19 -4.636 12.411 -1.713 1.00 0.00 N ATOM 266 CA LEU A 19 -5.452 11.103 -1.504 1.00 0.00 C ATOM 267 C LEU A 19 -6.218 10.962 -0.126 1.00 0.00 C ATOM 268 O LEU A 19 -7.474 11.010 -0.140 1.00 0.00 O ATOM 269 CB LEU A 19 -4.747 9.690 -2.040 1.00 0.00 C ATOM 270 CG LEU A 19 -4.407 9.362 -3.556 1.00 0.00 C ATOM 271 CD1 LEU A 19 -5.512 9.484 -4.616 1.00 0.00 C ATOM 272 CD2 LEU A 19 -3.032 9.851 -3.978 1.00 0.00 C ATOM 0 H LEU A 19 -5.048 12.969 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.255 11.269 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.807 9.599 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.394 8.883 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.356 8.273 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.108 9.224 -5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.329 8.806 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.884 10.508 -4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.860 9.596 -5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.977 10.933 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.271 9.376 -3.359 1.00 0.00 H new ATOM 284 N GLY A 20 -5.425 10.826 1.055 1.00 0.00 N ATOM 285 CA GLY A 20 -5.940 10.696 2.407 1.00 0.00 C ATOM 286 C GLY A 20 -5.009 9.889 3.276 1.00 0.00 C ATOM 287 O GLY A 20 -4.235 10.484 4.048 1.00 0.00 O ATOM 0 H GLY A 20 -4.406 10.811 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.079 11.686 2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.920 10.219 2.380 1.00 0.00 H new ATOM 291 N PHE A 21 -4.952 8.494 2.984 1.00 0.00 N ATOM 292 CA PHE A 21 -4.379 7.283 3.794 1.00 0.00 C ATOM 293 C PHE A 21 -2.803 7.439 4.124 1.00 0.00 C ATOM 294 O PHE A 21 -2.150 8.362 3.525 1.00 0.00 O ATOM 295 CB PHE A 21 -4.705 5.908 2.893 1.00 0.00 C ATOM 296 CG PHE A 21 -3.953 5.596 1.495 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.184 6.345 0.305 1.00 0.00 C ATOM 298 CD2 PHE A 21 -3.052 4.529 1.432 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.532 6.027 -0.883 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.393 4.209 0.245 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.635 4.958 -0.912 1.00 0.00 C ATOM 0 H PHE A 21 -5.339 8.162 2.101 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.855 7.226 4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.520 5.055 3.545 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.774 5.920 2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.877 7.173 0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.863 3.942 2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.719 6.604 -1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.697 3.384 0.219 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.126 4.708 -1.831 1.00 0.00 H new ATOM 311 N SER A 22 -2.197 6.565 5.088 1.00 0.00 N ATOM 312 CA SER A 22 -0.696 6.578 5.369 1.00 0.00 C ATOM 313 C SER A 22 -0.066 5.152 5.320 1.00 0.00 C ATOM 314 O SER A 22 -0.670 4.162 5.868 1.00 0.00 O ATOM 315 CB SER A 22 -0.300 7.395 6.652 1.00 0.00 C ATOM 316 OG SER A 22 -0.622 8.776 6.552 1.00 0.00 O ATOM 0 H SER A 22 -2.719 5.886 5.642 1.00 0.00 H new ATOM 0 HA SER A 22 -0.247 7.131 4.544 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.809 6.971 7.518 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.771 7.289 6.828 1.00 0.00 H new ATOM 0 HG SER A 22 -0.166 9.163 5.775 1.00 0.00 H new ATOM 322 N ILE A 23 1.189 5.049 4.624 1.00 0.00 N ATOM 323 CA ILE A 23 1.976 3.723 4.383 1.00 0.00 C ATOM 324 C ILE A 23 3.381 3.540 5.012 1.00 0.00 C ATOM 325 O ILE A 23 4.320 4.332 4.762 1.00 0.00 O ATOM 326 CB ILE A 23 1.805 2.954 2.940 1.00 0.00 C ATOM 327 CG1 ILE A 23 1.838 3.802 1.557 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.536 2.199 3.032 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.154 4.493 1.044 1.00 0.00 C ATOM 0 H ILE A 23 1.660 5.864 4.231 1.00 0.00 H new ATOM 0 HA ILE A 23 1.338 3.158 5.063 1.00 0.00 H new ATOM 0 HB ILE A 23 2.712 2.360 2.832 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.505 3.130 0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.085 4.585 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.363 1.663 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.595 1.486 3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.287 2.891 3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.953 5.005 0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.498 5.215 1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.925 3.738 0.888 1.00 0.00 H new ATOM 341 N ALA A 24 3.484 2.358 5.820 1.00 0.00 N ATOM 342 CA ALA A 24 4.694 1.929 6.614 1.00 0.00 C ATOM 343 C ALA A 24 5.517 0.806 5.868 1.00 0.00 C ATOM 344 O ALA A 24 4.993 -0.317 5.582 1.00 0.00 O ATOM 345 CB ALA A 24 4.255 1.511 8.054 1.00 0.00 C ATOM 0 H ALA A 24 2.708 1.703 5.912 1.00 0.00 H new ATOM 0 HA ALA A 24 5.377 2.773 6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.130 1.202 8.626 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.779 2.357 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.550 0.682 7.993 1.00 0.00 H new ATOM 351 N GLY A 25 6.817 1.183 5.553 1.00 0.00 N ATOM 352 CA GLY A 25 7.812 0.344 4.796 1.00 0.00 C ATOM 353 C GLY A 25 9.262 0.548 5.231 1.00 0.00 C ATOM 354 O GLY A 25 9.580 1.589 5.924 1.00 0.00 O ATOM 0 H GLY A 25 7.197 2.090 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.552 -0.707 4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.728 0.571 3.733 1.00 0.00 H new ATOM 358 N GLY A 26 10.162 -0.461 4.825 1.00 0.00 N ATOM 359 CA GLY A 26 11.594 -0.420 5.248 1.00 0.00 C ATOM 360 C GLY A 26 12.528 -1.540 4.851 1.00 0.00 C ATOM 361 O GLY A 26 12.246 -2.737 5.116 1.00 0.00 O ATOM 0 H GLY A 26 9.910 -1.257 4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.019 0.508 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.610 -0.354 6.336 1.00 0.00 H new ATOM 365 N THR A 27 13.658 -1.101 4.154 1.00 0.00 N ATOM 366 CA THR A 27 14.989 -1.887 4.004 1.00 0.00 C ATOM 367 C THR A 27 16.107 -1.379 5.019 1.00 0.00 C ATOM 368 O THR A 27 16.949 -2.209 5.492 1.00 0.00 O ATOM 369 CB THR A 27 15.591 -2.039 2.516 1.00 0.00 C ATOM 370 OG1 THR A 27 15.568 -0.820 1.753 1.00 0.00 O ATOM 371 CG2 THR A 27 14.975 -3.212 1.745 1.00 0.00 C ATOM 0 H THR A 27 13.682 -0.198 3.679 1.00 0.00 H new ATOM 0 HA THR A 27 14.686 -2.901 4.266 1.00 0.00 H new ATOM 0 HB THR A 27 16.645 -2.274 2.663 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.948 -0.983 0.864 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.418 -3.266 0.750 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.170 -4.141 2.280 1.00 0.00 H new ATOM 0 HG23 THR A 27 13.899 -3.064 1.656 1.00 0.00 H new ATOM 379 N ASP A 28 16.049 0.016 5.368 1.00 0.00 N ATOM 380 CA ASP A 28 16.962 0.716 6.376 1.00 0.00 C ATOM 381 C ASP A 28 16.191 1.214 7.694 1.00 0.00 C ATOM 382 O ASP A 28 16.772 1.124 8.819 1.00 0.00 O ATOM 383 CB ASP A 28 17.842 1.905 5.724 1.00 0.00 C ATOM 384 CG ASP A 28 18.968 1.455 4.752 1.00 0.00 C ATOM 385 OD1 ASP A 28 18.699 1.347 3.531 1.00 0.00 O ATOM 386 OD2 ASP A 28 20.110 1.231 5.222 1.00 0.00 O ATOM 0 H ASP A 28 15.369 0.650 4.949 1.00 0.00 H new ATOM 0 HA ASP A 28 17.662 -0.057 6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.171 2.576 5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.293 2.483 6.531 1.00 0.00 H new ATOM 391 N ASN A 29 14.843 1.703 7.515 1.00 0.00 N ATOM 392 CA ASN A 29 13.939 2.312 8.589 1.00 0.00 C ATOM 393 C ASN A 29 12.790 1.292 9.184 1.00 0.00 C ATOM 394 O ASN A 29 11.914 0.845 8.383 1.00 0.00 O ATOM 395 CB ASN A 29 13.334 3.743 8.159 1.00 0.00 C ATOM 396 CG ASN A 29 14.356 4.923 8.132 1.00 0.00 C ATOM 397 OD1 ASN A 29 15.006 5.177 7.110 1.00 0.00 O ATOM 398 ND2 ASN A 29 14.465 5.657 9.248 1.00 0.00 N ATOM 0 H ASN A 29 14.384 1.670 6.605 1.00 0.00 H new ATOM 0 HA ASN A 29 14.607 2.491 9.431 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.889 3.647 7.168 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.528 3.999 8.847 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.100 6.455 9.274 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.913 5.418 10.072 1.00 0.00 H new ATOM 405 N PRO A 30 12.803 0.847 10.664 1.00 0.00 N ATOM 406 CA PRO A 30 11.676 -0.028 11.331 1.00 0.00 C ATOM 407 C PRO A 30 10.244 0.715 11.648 1.00 0.00 C ATOM 408 O PRO A 30 10.152 1.970 11.546 1.00 0.00 O ATOM 409 CB PRO A 30 12.344 -0.515 12.683 1.00 0.00 C ATOM 410 CG PRO A 30 13.796 -0.085 12.668 1.00 0.00 C ATOM 411 CD PRO A 30 13.928 1.069 11.707 1.00 0.00 C ATOM 0 HA PRO A 30 11.378 -0.812 10.634 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.827 -0.084 13.540 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.268 -1.598 12.777 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.116 0.212 13.667 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.436 -0.912 12.361 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.811 2.025 12.218 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.910 1.079 11.234 1.00 0.00 H new ATOM 419 N HIS A 31 9.143 -0.154 11.974 1.00 0.00 N ATOM 420 CA HIS A 31 7.760 0.265 12.480 1.00 0.00 C ATOM 421 C HIS A 31 7.376 -0.488 13.869 1.00 0.00 C ATOM 422 O HIS A 31 6.906 0.189 14.805 1.00 0.00 O ATOM 423 CB HIS A 31 6.608 0.097 11.310 1.00 0.00 C ATOM 424 CG HIS A 31 5.138 0.587 11.642 1.00 0.00 C ATOM 425 ND1 HIS A 31 4.728 1.912 11.580 1.00 0.00 N ATOM 426 CD2 HIS A 31 4.043 -0.110 12.065 1.00 0.00 C ATOM 427 CE1 HIS A 31 3.451 1.997 11.953 1.00 0.00 C ATOM 428 NE2 HIS A 31 3.028 0.791 12.249 1.00 0.00 N ATOM 0 H HIS A 31 9.223 -1.167 11.881 1.00 0.00 H new ATOM 0 HA HIS A 31 7.799 1.329 12.715 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.948 0.636 10.426 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.556 -0.958 11.041 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.312 2.697 11.294 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.987 -1.177 12.225 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.865 2.903 12.003 1.00 0.00 H new ATOM 437 N ILE A 32 7.650 -1.872 13.952 1.00 0.00 N ATOM 438 CA ILE A 32 7.218 -2.833 15.042 1.00 0.00 C ATOM 439 C ILE A 32 8.489 -3.429 15.915 1.00 0.00 C ATOM 440 O ILE A 32 8.322 -3.763 17.122 1.00 0.00 O ATOM 441 CB ILE A 32 6.146 -4.004 14.367 1.00 0.00 C ATOM 442 CG1 ILE A 32 5.300 -4.818 15.395 1.00 0.00 C ATOM 443 CG2 ILE A 32 6.721 -4.983 13.255 1.00 0.00 C ATOM 444 CD1 ILE A 32 3.987 -4.151 15.888 1.00 0.00 C ATOM 0 H ILE A 32 8.195 -2.343 13.230 1.00 0.00 H new ATOM 0 HA ILE A 32 6.651 -2.301 15.806 1.00 0.00 H new ATOM 0 HB ILE A 32 5.484 -3.316 13.841 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.048 -5.779 14.946 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.925 -5.026 16.263 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.934 -5.662 12.926 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.077 -4.400 12.405 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.547 -5.560 13.670 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.488 -4.811 16.597 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.221 -3.204 16.376 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.330 -3.969 15.038 1.00 0.00 H new ATOM 456 N GLY A 33 9.690 -3.491 15.216 1.00 0.00 N ATOM 457 CA GLY A 33 11.008 -4.033 15.690 1.00 0.00 C ATOM 458 C GLY A 33 11.726 -4.857 14.618 1.00 0.00 C ATOM 459 O GLY A 33 11.863 -6.090 14.760 1.00 0.00 O ATOM 0 H GLY A 33 9.754 -3.143 14.259 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.648 -3.205 15.996 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.846 -4.653 16.572 1.00 0.00 H new ATOM 463 N ASP A 34 12.203 -4.099 13.490 1.00 0.00 N ATOM 464 CA ASP A 34 12.931 -4.564 12.188 1.00 0.00 C ATOM 465 C ASP A 34 12.068 -5.491 11.217 1.00 0.00 C ATOM 466 O ASP A 34 12.165 -6.772 11.226 1.00 0.00 O ATOM 467 CB ASP A 34 14.494 -4.986 12.352 1.00 0.00 C ATOM 468 CG ASP A 34 15.464 -3.822 12.669 1.00 0.00 C ATOM 469 OD1 ASP A 34 16.000 -3.211 11.715 1.00 0.00 O ATOM 470 OD2 ASP A 34 15.691 -3.543 13.872 1.00 0.00 O ATOM 0 H ASP A 34 12.075 -3.087 13.478 1.00 0.00 H new ATOM 0 HA ASP A 34 13.010 -3.632 11.629 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.571 -5.728 13.147 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.821 -5.469 11.431 1.00 0.00 H new ATOM 475 N ASP A 35 11.118 -4.759 10.469 1.00 0.00 N ATOM 476 CA ASP A 35 10.112 -5.320 9.459 1.00 0.00 C ATOM 477 C ASP A 35 10.632 -5.114 7.875 1.00 0.00 C ATOM 478 O ASP A 35 10.902 -3.935 7.488 1.00 0.00 O ATOM 479 CB ASP A 35 8.669 -4.655 9.756 1.00 0.00 C ATOM 480 CG ASP A 35 7.417 -5.400 9.183 1.00 0.00 C ATOM 481 OD1 ASP A 35 6.878 -6.292 9.880 1.00 0.00 O ATOM 482 OD2 ASP A 35 6.993 -5.067 8.053 1.00 0.00 O ATOM 0 H ASP A 35 11.039 -3.746 10.562 1.00 0.00 H new ATOM 0 HA ASP A 35 10.024 -6.400 9.579 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.549 -4.571 10.836 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.673 -3.641 9.356 1.00 0.00 H new ATOM 487 N PRO A 36 10.817 -6.327 6.925 1.00 0.00 N ATOM 488 CA PRO A 36 11.266 -6.207 5.432 1.00 0.00 C ATOM 489 C PRO A 36 10.163 -5.717 4.310 1.00 0.00 C ATOM 490 O PRO A 36 10.557 -5.009 3.339 1.00 0.00 O ATOM 491 CB PRO A 36 11.831 -7.655 5.103 1.00 0.00 C ATOM 492 CG PRO A 36 11.829 -8.433 6.406 1.00 0.00 C ATOM 493 CD PRO A 36 10.729 -7.840 7.258 1.00 0.00 C ATOM 0 HA PRO A 36 11.979 -5.387 5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.212 -8.151 4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.838 -7.593 4.692 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.651 -9.493 6.225 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.794 -8.353 6.907 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.753 -8.254 7.005 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.891 -8.031 8.319 1.00 0.00 H new ATOM 501 N SER A 37 8.789 -6.104 4.522 1.00 0.00 N ATOM 502 CA SER A 37 7.593 -5.844 3.570 1.00 0.00 C ATOM 503 C SER A 37 6.780 -4.489 3.938 1.00 0.00 C ATOM 504 O SER A 37 6.785 -4.049 5.133 1.00 0.00 O ATOM 505 CB SER A 37 6.660 -7.145 3.577 1.00 0.00 C ATOM 506 OG SER A 37 5.652 -7.132 2.552 1.00 0.00 O ATOM 0 H SER A 37 8.504 -6.604 5.364 1.00 0.00 H new ATOM 0 HA SER A 37 7.966 -5.671 2.561 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.283 -8.030 3.452 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.177 -7.231 4.550 1.00 0.00 H new ATOM 0 HG SER A 37 5.118 -7.952 2.608 1.00 0.00 H new ATOM 512 N ILE A 38 6.071 -3.851 2.845 1.00 0.00 N ATOM 513 CA ILE A 38 5.258 -2.537 2.946 1.00 0.00 C ATOM 514 C ILE A 38 3.688 -2.879 3.255 1.00 0.00 C ATOM 515 O ILE A 38 2.978 -3.511 2.435 1.00 0.00 O ATOM 516 CB ILE A 38 5.496 -1.433 1.631 1.00 0.00 C ATOM 517 CG1 ILE A 38 6.988 -1.386 0.826 1.00 0.00 C ATOM 518 CG2 ILE A 38 5.038 0.051 1.936 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.381 -1.600 1.554 1.00 0.00 C ATOM 0 H ILE A 38 6.064 -4.244 1.904 1.00 0.00 H new ATOM 0 HA ILE A 38 5.654 -1.976 3.793 1.00 0.00 H new ATOM 0 HB ILE A 38 4.824 -1.920 0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.935 -2.136 0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.043 -0.413 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.222 0.675 1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.974 0.062 2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.602 0.439 2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.188 -1.523 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.511 -0.837 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.402 -2.587 2.016 1.00 0.00 H new ATOM 531 N PHE A 39 3.250 -2.392 4.506 1.00 0.00 N ATOM 532 CA PHE A 39 1.940 -2.666 5.264 1.00 0.00 C ATOM 533 C PHE A 39 1.137 -1.310 5.580 1.00 0.00 C ATOM 534 O PHE A 39 1.773 -0.196 5.781 1.00 0.00 O ATOM 535 CB PHE A 39 2.389 -3.544 6.611 1.00 0.00 C ATOM 536 CG PHE A 39 1.450 -3.889 7.863 1.00 0.00 C ATOM 537 CD1 PHE A 39 0.256 -4.627 7.761 1.00 0.00 C ATOM 538 CD2 PHE A 39 1.859 -3.489 9.143 1.00 0.00 C ATOM 539 CE1 PHE A 39 -0.493 -4.931 8.896 1.00 0.00 C ATOM 540 CE2 PHE A 39 1.116 -3.803 10.276 1.00 0.00 C ATOM 541 CZ PHE A 39 -0.060 -4.521 10.149 1.00 0.00 C ATOM 0 H PHE A 39 3.846 -1.758 5.039 1.00 0.00 H new ATOM 0 HA PHE A 39 1.223 -3.238 4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.742 -4.504 6.233 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.255 -3.027 7.025 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.084 -4.962 6.792 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.773 -2.924 9.252 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.414 -5.488 8.800 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.456 -3.488 11.251 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.642 -4.763 11.026 1.00 0.00 H new ATOM 551 N ILE A 40 -0.307 -1.439 5.598 1.00 0.00 N ATOM 552 CA ILE A 40 -1.302 -0.325 5.987 1.00 0.00 C ATOM 553 C ILE A 40 -1.564 -0.358 7.569 1.00 0.00 C ATOM 554 O ILE A 40 -1.670 -1.460 8.202 1.00 0.00 O ATOM 555 CB ILE A 40 -2.794 -0.371 5.177 1.00 0.00 C ATOM 556 CG1 ILE A 40 -2.858 -1.084 3.683 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.562 1.039 5.162 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.045 -0.467 2.518 1.00 0.00 C ATOM 0 H ILE A 40 -0.774 -2.310 5.344 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.823 0.603 5.676 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.328 -1.072 5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.534 -2.118 3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.904 -1.110 3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.506 0.933 4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.758 1.358 6.186 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.944 1.785 4.662 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.200 -1.056 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.377 0.557 2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.985 -0.467 2.774 1.00 0.00 H new ATOM 570 N THR A 41 -1.695 0.911 8.123 1.00 0.00 N ATOM 571 CA THR A 41 -1.930 1.264 9.621 1.00 0.00 C ATOM 572 C THR A 41 -2.865 2.520 9.825 1.00 0.00 C ATOM 573 O THR A 41 -3.582 2.576 10.884 1.00 0.00 O ATOM 574 CB THR A 41 -0.606 1.350 10.585 1.00 0.00 C ATOM 575 OG1 THR A 41 0.444 2.116 10.001 1.00 0.00 O ATOM 576 CG2 THR A 41 -0.071 -0.034 11.002 1.00 0.00 C ATOM 0 H THR A 41 -1.641 1.747 7.541 1.00 0.00 H new ATOM 0 HA THR A 41 -2.454 0.375 9.972 1.00 0.00 H new ATOM 0 HB THR A 41 -0.948 1.861 11.485 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.063 2.411 10.702 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.805 0.091 11.638 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.844 -0.573 11.550 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.205 -0.601 10.113 1.00 0.00 H new ATOM 584 N LYS A 42 -2.900 3.529 8.759 1.00 0.00 N ATOM 585 CA LYS A 42 -3.754 4.754 8.797 1.00 0.00 C ATOM 586 C LYS A 42 -4.731 4.867 7.565 1.00 0.00 C ATOM 587 O LYS A 42 -4.300 4.815 6.369 1.00 0.00 O ATOM 588 CB LYS A 42 -2.843 6.102 9.142 1.00 0.00 C ATOM 589 CG LYS A 42 -3.442 7.618 9.204 1.00 0.00 C ATOM 590 CD LYS A 42 -4.651 7.830 10.137 1.00 0.00 C ATOM 591 CE LYS A 42 -4.874 9.293 10.434 1.00 0.00 C ATOM 592 NZ LYS A 42 -6.023 9.510 11.358 1.00 0.00 N ATOM 0 H LYS A 42 -2.335 3.457 7.913 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.450 4.668 9.632 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.382 5.917 10.112 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.039 6.122 8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.644 8.290 9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.730 7.915 8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.545 7.411 9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.491 7.289 11.070 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.971 9.715 10.875 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.053 9.828 9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.139 10.528 11.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.891 9.132 10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.842 9.022 12.258 1.00 0.00 H new ATOM 606 N ILE A 43 -6.082 4.983 7.954 1.00 0.00 N ATOM 607 CA ILE A 43 -7.260 5.261 7.069 1.00 0.00 C ATOM 608 C ILE A 43 -8.089 6.499 7.706 1.00 0.00 C ATOM 609 O ILE A 43 -8.441 6.504 8.928 1.00 0.00 O ATOM 610 CB ILE A 43 -8.250 3.874 6.733 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.464 2.584 6.047 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.627 4.162 5.951 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.726 2.728 4.634 1.00 0.00 C ATOM 0 H ILE A 43 -6.359 4.877 8.930 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.890 5.536 6.081 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.521 3.586 7.749 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.717 2.246 6.765 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.195 1.781 5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.161 3.224 5.797 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.245 4.839 6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.409 4.618 4.985 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.274 1.774 4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.450 3.018 3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.950 3.490 4.705 1.00 0.00 H new ATOM 625 N ILE A 44 -8.360 7.501 6.787 1.00 0.00 N ATOM 626 CA ILE A 44 -9.255 8.749 6.953 1.00 0.00 C ATOM 627 C ILE A 44 -10.859 8.367 6.620 1.00 0.00 C ATOM 628 O ILE A 44 -11.094 7.724 5.561 1.00 0.00 O ATOM 629 CB ILE A 44 -8.594 10.057 6.007 1.00 0.00 C ATOM 630 CG1 ILE A 44 -7.176 10.656 6.508 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.522 11.317 5.795 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.953 9.753 6.635 1.00 0.00 C ATOM 0 H ILE A 44 -7.944 7.471 5.856 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.261 9.097 7.986 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.476 9.512 5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.910 11.464 5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.345 11.107 7.486 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.997 12.058 5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.436 11.014 5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.775 11.750 6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.103 10.339 6.984 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.162 8.956 7.348 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.719 9.318 5.663 1.00 0.00 H new ATOM 644 N PRO A 45 -11.996 8.792 7.569 1.00 0.00 N ATOM 645 CA PRO A 45 -13.517 8.534 7.285 1.00 0.00 C ATOM 646 C PRO A 45 -14.186 9.308 5.999 1.00 0.00 C ATOM 647 O PRO A 45 -15.254 8.838 5.480 1.00 0.00 O ATOM 648 CB PRO A 45 -14.214 8.943 8.644 1.00 0.00 C ATOM 649 CG PRO A 45 -13.120 8.961 9.678 1.00 0.00 C ATOM 650 CD PRO A 45 -11.888 9.458 8.967 1.00 0.00 C ATOM 0 HA PRO A 45 -13.658 7.496 6.985 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.689 9.920 8.561 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.994 8.231 8.913 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.380 9.614 10.511 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.957 7.966 10.092 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.875 10.546 8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.976 9.162 9.485 1.00 0.00 H new ATOM 658 N GLY A 46 -13.481 10.454 5.513 1.00 0.00 N ATOM 659 CA GLY A 46 -13.907 11.293 4.340 1.00 0.00 C ATOM 660 C GLY A 46 -12.815 11.578 3.255 1.00 0.00 C ATOM 661 O GLY A 46 -12.809 12.716 2.710 1.00 0.00 O ATOM 0 H GLY A 46 -12.618 10.785 5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.750 10.800 3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.271 12.249 4.718 1.00 0.00 H new ATOM 665 N GLY A 47 -11.871 10.523 2.955 1.00 0.00 N ATOM 666 CA GLY A 47 -10.832 10.569 1.830 1.00 0.00 C ATOM 667 C GLY A 47 -11.293 9.968 0.442 1.00 0.00 C ATOM 668 O GLY A 47 -12.460 9.508 0.290 1.00 0.00 O ATOM 0 H GLY A 47 -11.837 9.655 3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.538 11.607 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.943 10.031 2.160 1.00 0.00 H new ATOM 672 N ALA A 48 -10.302 9.995 -0.569 1.00 0.00 N ATOM 673 CA ALA A 48 -10.423 9.542 -2.038 1.00 0.00 C ATOM 674 C ALA A 48 -10.277 7.956 -2.289 1.00 0.00 C ATOM 675 O ALA A 48 -11.013 7.410 -3.140 1.00 0.00 O ATOM 676 CB ALA A 48 -9.459 10.389 -2.945 1.00 0.00 C ATOM 0 H ALA A 48 -9.366 10.347 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.455 9.741 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.552 10.061 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.725 11.444 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.431 10.250 -2.612 1.00 0.00 H new ATOM 682 N ALA A 49 -9.298 7.241 -1.500 1.00 0.00 N ATOM 683 CA ALA A 49 -9.032 5.712 -1.521 1.00 0.00 C ATOM 684 C ALA A 49 -10.044 4.806 -0.638 1.00 0.00 C ATOM 685 O ALA A 49 -10.216 3.567 -0.927 1.00 0.00 O ATOM 686 CB ALA A 49 -7.562 5.430 -1.176 1.00 0.00 C ATOM 0 H ALA A 49 -8.687 7.727 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.242 5.396 -2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.384 4.355 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.917 5.916 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.341 5.819 -0.182 1.00 0.00 H new ATOM 692 N ALA A 50 -10.741 5.488 0.428 1.00 0.00 N ATOM 693 CA ALA A 50 -11.777 4.897 1.385 1.00 0.00 C ATOM 694 C ALA A 50 -13.284 4.933 0.810 1.00 0.00 C ATOM 695 O ALA A 50 -14.012 3.908 0.940 1.00 0.00 O ATOM 696 CB ALA A 50 -11.667 5.594 2.788 1.00 0.00 C ATOM 0 H ALA A 50 -10.571 6.475 0.619 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.545 3.838 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.408 5.168 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.669 5.435 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.848 6.663 2.678 1.00 0.00 H new ATOM 702 N GLN A 51 -13.707 6.152 0.149 1.00 0.00 N ATOM 703 CA GLN A 51 -15.073 6.430 -0.504 1.00 0.00 C ATOM 704 C GLN A 51 -15.165 6.054 -2.065 1.00 0.00 C ATOM 705 O GLN A 51 -16.075 5.260 -2.437 1.00 0.00 O ATOM 706 CB GLN A 51 -15.589 7.933 -0.251 1.00 0.00 C ATOM 707 CG GLN A 51 -15.800 8.368 1.250 1.00 0.00 C ATOM 708 CD GLN A 51 -16.597 9.689 1.454 1.00 0.00 C ATOM 709 OE1 GLN A 51 -16.016 10.786 1.488 1.00 0.00 O ATOM 710 NE2 GLN A 51 -17.928 9.581 1.645 1.00 0.00 N ATOM 0 H GLN A 51 -13.081 6.954 0.072 1.00 0.00 H new ATOM 0 HA GLN A 51 -15.746 5.744 0.010 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.875 8.619 -0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.534 8.061 -0.778 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.319 7.565 1.774 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.823 8.476 1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -18.375 8.665 1.611 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.487 10.415 1.824 1.00 0.00 H new ATOM 719 N ASP A 52 -14.176 6.634 -2.966 1.00 0.00 N ATOM 720 CA ASP A 52 -14.155 6.509 -4.495 1.00 0.00 C ATOM 721 C ASP A 52 -13.337 5.271 -5.122 1.00 0.00 C ATOM 722 O ASP A 52 -13.777 4.737 -6.193 1.00 0.00 O ATOM 723 CB ASP A 52 -13.725 7.894 -5.156 1.00 0.00 C ATOM 724 CG ASP A 52 -14.822 8.996 -5.203 1.00 0.00 C ATOM 725 OD1 ASP A 52 -14.912 9.793 -4.237 1.00 0.00 O ATOM 726 OD2 ASP A 52 -15.565 9.060 -6.214 1.00 0.00 O ATOM 0 H ASP A 52 -13.395 7.188 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.185 6.264 -4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.868 8.285 -4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.390 7.699 -6.175 1.00 0.00 H new ATOM 731 N GLY A 53 -12.179 4.791 -4.406 1.00 0.00 N ATOM 732 CA GLY A 53 -11.226 3.684 -4.901 1.00 0.00 C ATOM 733 C GLY A 53 -11.592 2.213 -4.529 1.00 0.00 C ATOM 734 O GLY A 53 -11.668 1.356 -5.435 1.00 0.00 O ATOM 0 H GLY A 53 -11.909 5.166 -3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.163 3.753 -5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.231 3.894 -4.510 1.00 0.00 H new ATOM 738 N ARG A 54 -11.833 1.949 -3.142 1.00 0.00 N ATOM 739 CA ARG A 54 -12.195 0.611 -2.396 1.00 0.00 C ATOM 740 C ARG A 54 -10.970 -0.246 -1.835 1.00 0.00 C ATOM 741 O ARG A 54 -10.700 -1.433 -2.248 1.00 0.00 O ATOM 742 CB ARG A 54 -13.451 -0.251 -2.945 1.00 0.00 C ATOM 743 CG ARG A 54 -14.869 0.384 -2.727 1.00 0.00 C ATOM 744 CD ARG A 54 -16.054 -0.477 -3.269 1.00 0.00 C ATOM 745 NE ARG A 54 -16.410 -1.713 -2.411 1.00 0.00 N ATOM 746 CZ ARG A 54 -17.533 -2.575 -2.492 1.00 0.00 C ATOM 747 NH1 ARG A 54 -18.554 -2.430 -3.397 1.00 0.00 N ATOM 748 NH2 ARG A 54 -17.608 -3.585 -1.634 1.00 0.00 N ATOM 0 H ARG A 54 -11.775 2.717 -2.473 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.628 1.040 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.311 -0.420 -4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.434 -1.228 -2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.017 0.553 -1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.894 1.360 -3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.937 0.157 -3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.809 -0.812 -4.277 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.738 -1.942 -1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -18.535 -1.663 -4.069 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.332 -3.089 -3.398 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.871 -3.723 -0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.403 -4.223 -1.666 1.00 0.00 H new ATOM 762 N LEU A 55 -10.135 0.498 -0.964 1.00 0.00 N ATOM 763 CA LEU A 55 -9.015 -0.004 -0.107 1.00 0.00 C ATOM 764 C LEU A 55 -9.396 0.077 1.452 1.00 0.00 C ATOM 765 O LEU A 55 -9.917 1.129 1.957 1.00 0.00 O ATOM 766 CB LEU A 55 -7.645 0.804 -0.510 1.00 0.00 C ATOM 767 CG LEU A 55 -6.303 0.673 0.323 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.209 -0.065 -0.434 1.00 0.00 C ATOM 769 CD2 LEU A 55 -5.870 2.060 0.704 1.00 0.00 C ATOM 0 H LEU A 55 -10.258 1.505 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.834 -1.063 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.405 0.520 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.901 1.863 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.489 0.071 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.314 -0.124 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.550 -1.072 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.978 0.471 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.946 2.007 1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.702 2.649 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.647 2.531 1.306 1.00 0.00 H new ATOM 781 N ARG A 56 -9.122 -1.102 2.141 1.00 0.00 N ATOM 782 CA ARG A 56 -9.180 -1.328 3.651 1.00 0.00 C ATOM 783 C ARG A 56 -7.713 -1.552 4.242 1.00 0.00 C ATOM 784 O ARG A 56 -6.789 -2.062 3.529 1.00 0.00 O ATOM 785 CB ARG A 56 -10.172 -2.535 4.066 1.00 0.00 C ATOM 786 CG ARG A 56 -11.667 -2.300 3.937 1.00 0.00 C ATOM 787 CD ARG A 56 -12.346 -3.548 4.398 1.00 0.00 C ATOM 788 NE ARG A 56 -13.865 -3.453 4.402 1.00 0.00 N ATOM 789 CZ ARG A 56 -14.841 -4.476 4.578 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.544 -5.804 4.764 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.122 -4.129 4.553 1.00 0.00 N ATOM 0 H ARG A 56 -8.846 -1.949 1.644 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.599 -0.424 4.093 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.916 -3.403 3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.963 -2.799 5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.977 -1.447 4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.934 -2.074 2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.044 -4.374 3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.003 -3.787 5.405 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.241 -2.516 4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.572 -6.111 4.783 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.296 -6.483 4.884 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.383 -3.153 4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.845 -4.838 4.676 1.00 0.00 H new ATOM 805 N VAL A 57 -7.531 -1.186 5.594 1.00 0.00 N ATOM 806 CA VAL A 57 -6.243 -1.286 6.474 1.00 0.00 C ATOM 807 C VAL A 57 -5.550 -2.779 6.577 1.00 0.00 C ATOM 808 O VAL A 57 -4.308 -2.908 6.785 1.00 0.00 O ATOM 809 CB VAL A 57 -6.555 -0.572 7.907 1.00 0.00 C ATOM 810 CG1 VAL A 57 -7.416 -1.247 8.978 1.00 0.00 C ATOM 811 CG2 VAL A 57 -5.504 0.317 8.429 1.00 0.00 C ATOM 0 H VAL A 57 -8.307 -0.796 6.128 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.445 -0.744 5.967 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.345 0.061 7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.492 -0.595 9.848 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.412 -1.436 8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.958 -2.191 9.271 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.822 0.734 9.385 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.584 -0.250 8.569 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.327 1.126 7.721 1.00 0.00 H new ATOM 821 N ASN A 58 -6.465 -3.809 6.436 1.00 0.00 N ATOM 822 CA ASN A 58 -6.222 -5.261 6.432 1.00 0.00 C ATOM 823 C ASN A 58 -5.960 -5.891 4.924 1.00 0.00 C ATOM 824 O ASN A 58 -5.833 -7.153 4.788 1.00 0.00 O ATOM 825 CB ASN A 58 -7.357 -5.989 7.375 1.00 0.00 C ATOM 826 CG ASN A 58 -8.865 -6.006 6.885 1.00 0.00 C ATOM 827 OD1 ASN A 58 -9.634 -5.086 7.175 1.00 0.00 O ATOM 828 ND2 ASN A 58 -9.257 -7.068 6.176 1.00 0.00 N ATOM 0 H ASN A 58 -7.457 -3.603 6.315 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.261 -5.486 6.895 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.047 -7.023 7.524 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -7.333 -5.505 8.352 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.222 -7.138 5.854 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.591 -7.809 5.956 1.00 0.00 H new ATOM 835 N ASP A 59 -5.801 -4.931 3.795 1.00 0.00 N ATOM 836 CA ASP A 59 -5.567 -5.366 2.318 1.00 0.00 C ATOM 837 C ASP A 59 -4.057 -5.632 1.894 1.00 0.00 C ATOM 838 O ASP A 59 -3.804 -6.521 1.002 1.00 0.00 O ATOM 839 CB ASP A 59 -6.337 -4.461 1.264 1.00 0.00 C ATOM 840 CG ASP A 59 -7.798 -4.890 0.980 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.711 -4.403 1.671 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.014 -5.702 0.045 1.00 0.00 O ATOM 0 H ASP A 59 -5.836 -3.919 3.919 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.023 -6.356 2.292 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.339 -3.432 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.782 -4.470 0.326 1.00 0.00 H new ATOM 847 N SER A 60 -3.010 -4.834 2.565 1.00 0.00 N ATOM 848 CA SER A 60 -1.427 -4.929 2.407 1.00 0.00 C ATOM 849 C SER A 60 -0.865 -5.022 0.914 1.00 0.00 C ATOM 850 O SER A 60 -1.179 -6.008 0.164 1.00 0.00 O ATOM 851 CB SER A 60 -0.776 -6.034 3.354 1.00 0.00 C ATOM 852 OG SER A 60 -0.992 -5.751 4.726 1.00 0.00 O ATOM 0 H SER A 60 -3.267 -4.107 3.232 1.00 0.00 H new ATOM 0 HA SER A 60 -1.096 -3.948 2.749 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.197 -7.010 3.115 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.295 -6.092 3.160 1.00 0.00 H new ATOM 0 HG SER A 60 -0.580 -6.451 5.273 1.00 0.00 H new ATOM 858 N ILE A 61 0.000 -3.986 0.513 1.00 0.00 N ATOM 859 CA ILE A 61 0.584 -3.819 -0.920 1.00 0.00 C ATOM 860 C ILE A 61 1.921 -4.724 -1.105 1.00 0.00 C ATOM 861 O ILE A 61 2.856 -4.675 -0.249 1.00 0.00 O ATOM 862 CB ILE A 61 0.825 -2.181 -1.390 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.503 -1.251 -1.099 1.00 0.00 C ATOM 864 CG2 ILE A 61 1.207 -2.072 -2.965 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.322 0.317 -0.955 1.00 0.00 C ATOM 0 H ILE A 61 0.309 -3.256 1.155 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.175 -4.190 -1.609 1.00 0.00 H new ATOM 0 HB ILE A 61 1.652 -1.809 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.213 -1.428 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.966 -1.615 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.353 -1.025 -3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.126 -2.627 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.399 -2.490 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.291 0.779 -0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.350 0.531 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.099 0.721 -1.876 1.00 0.00 H new ATOM 877 N LEU A 62 1.919 -5.547 -2.276 1.00 0.00 N ATOM 878 CA LEU A 62 3.131 -6.292 -2.813 1.00 0.00 C ATOM 879 C LEU A 62 3.871 -5.491 -3.945 1.00 0.00 C ATOM 880 O LEU A 62 5.129 -5.368 -3.895 1.00 0.00 O ATOM 881 CB LEU A 62 2.835 -7.864 -3.205 1.00 0.00 C ATOM 882 CG LEU A 62 1.778 -8.294 -4.313 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.129 -9.655 -4.801 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.359 -8.348 -3.782 1.00 0.00 C ATOM 0 H LEU A 62 1.082 -5.691 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 62 3.829 -6.354 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.791 -8.294 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.537 -8.363 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 62 1.817 -7.545 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.413 -9.965 -5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.131 -9.641 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.101 -10.358 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.318 -8.647 -4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.302 -9.072 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.071 -7.364 -3.412 1.00 0.00 H new ATOM 896 N PHE A 63 3.022 -4.920 -4.967 1.00 0.00 N ATOM 897 CA PHE A 63 3.531 -4.167 -6.204 1.00 0.00 C ATOM 898 C PHE A 63 2.796 -2.833 -6.443 1.00 0.00 C ATOM 899 O PHE A 63 1.567 -2.758 -6.273 1.00 0.00 O ATOM 900 CB PHE A 63 3.466 -5.113 -7.546 1.00 0.00 C ATOM 901 CG PHE A 63 4.518 -6.277 -7.638 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.336 -7.482 -6.948 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.638 -6.146 -8.431 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.234 -8.506 -7.037 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.563 -7.149 -8.530 1.00 0.00 C ATOM 906 CZ PHE A 63 6.372 -8.349 -7.830 1.00 0.00 C ATOM 0 H PHE A 63 2.005 -4.983 -4.930 1.00 0.00 H new ATOM 0 HA PHE A 63 4.573 -3.920 -6.000 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.469 -5.549 -7.607 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.588 -4.473 -8.420 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.460 -7.604 -6.328 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.788 -5.232 -8.986 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.066 -9.428 -6.500 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.440 -7.017 -9.147 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.099 -9.144 -7.904 1.00 0.00 H new ATOM 916 N VAL A 64 3.598 -1.732 -6.781 1.00 0.00 N ATOM 917 CA VAL A 64 3.055 -0.368 -7.218 1.00 0.00 C ATOM 918 C VAL A 64 3.550 0.024 -8.595 1.00 0.00 C ATOM 919 O VAL A 64 4.661 -0.231 -8.892 1.00 0.00 O ATOM 920 CB VAL A 64 3.016 0.898 -6.170 1.00 0.00 C ATOM 921 CG1 VAL A 64 1.829 0.882 -5.267 1.00 0.00 C ATOM 922 CG2 VAL A 64 4.294 1.255 -5.369 1.00 0.00 C ATOM 0 H VAL A 64 4.617 -1.768 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 64 1.989 -0.592 -7.240 1.00 0.00 H new ATOM 0 HB VAL A 64 2.938 1.714 -6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.866 1.745 -4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.918 0.923 -5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.835 -0.033 -4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.093 2.113 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.588 0.404 -4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.100 1.500 -6.060 1.00 0.00 H new ATOM 932 N ASN A 65 2.629 0.647 -9.480 1.00 0.00 N ATOM 933 CA ASN A 65 2.898 1.211 -10.946 1.00 0.00 C ATOM 934 C ASN A 65 3.175 0.067 -12.097 1.00 0.00 C ATOM 935 O ASN A 65 3.278 0.387 -13.322 1.00 0.00 O ATOM 936 CB ASN A 65 4.106 2.373 -11.000 1.00 0.00 C ATOM 937 CG ASN A 65 3.776 3.775 -10.390 1.00 0.00 C ATOM 938 OD1 ASN A 65 3.013 3.924 -9.411 1.00 0.00 O ATOM 939 ND2 ASN A 65 4.360 4.810 -10.984 1.00 0.00 N ATOM 0 H ASN A 65 1.656 0.782 -9.205 1.00 0.00 H new ATOM 0 HA ASN A 65 1.947 1.681 -11.195 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.980 1.977 -10.483 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.391 2.516 -12.042 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.190 5.756 -10.643 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.978 4.658 -11.781 1.00 0.00 H new ATOM 946 N GLU A 66 3.171 -1.300 -11.630 1.00 0.00 N ATOM 947 CA GLU A 66 3.762 -2.624 -12.273 1.00 0.00 C ATOM 948 C GLU A 66 5.318 -2.894 -11.831 1.00 0.00 C ATOM 949 O GLU A 66 5.976 -3.891 -12.291 1.00 0.00 O ATOM 950 CB GLU A 66 3.453 -2.916 -13.864 1.00 0.00 C ATOM 951 CG GLU A 66 1.964 -3.251 -14.214 1.00 0.00 C ATOM 952 CD GLU A 66 1.712 -3.592 -15.704 1.00 0.00 C ATOM 953 OE1 GLU A 66 1.423 -2.659 -16.500 1.00 0.00 O ATOM 954 OE2 GLU A 66 1.772 -4.800 -16.065 1.00 0.00 O ATOM 0 H GLU A 66 2.726 -1.517 -10.738 1.00 0.00 H new ATOM 0 HA GLU A 66 3.150 -3.400 -11.814 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.755 -2.042 -14.441 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.080 -3.746 -14.191 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.642 -4.094 -13.603 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.340 -2.401 -13.939 1.00 0.00 H new ATOM 961 N VAL A 67 5.836 -2.006 -10.797 1.00 0.00 N ATOM 962 CA VAL A 67 7.216 -2.012 -10.166 1.00 0.00 C ATOM 963 C VAL A 67 7.286 -2.779 -8.782 1.00 0.00 C ATOM 964 O VAL A 67 6.277 -2.757 -7.954 1.00 0.00 O ATOM 965 CB VAL A 67 8.053 -0.557 -10.144 1.00 0.00 C ATOM 966 CG1 VAL A 67 8.408 -0.060 -11.499 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.538 0.611 -9.212 1.00 0.00 C ATOM 0 H VAL A 67 5.252 -1.268 -10.405 1.00 0.00 H new ATOM 0 HA VAL A 67 7.778 -2.604 -10.888 1.00 0.00 H new ATOM 0 HB VAL A 67 8.958 -0.876 -9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.947 0.883 -11.411 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.039 -0.793 -12.002 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.499 0.095 -12.080 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.192 1.477 -9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.523 0.885 -9.499 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.544 0.278 -8.174 1.00 0.00 H new ATOM 977 N ASP A 68 8.566 -3.314 -8.519 1.00 0.00 N ATOM 978 CA ASP A 68 8.961 -4.204 -7.391 1.00 0.00 C ATOM 979 C ASP A 68 9.265 -3.478 -6.019 1.00 0.00 C ATOM 980 O ASP A 68 10.369 -2.889 -5.797 1.00 0.00 O ATOM 981 CB ASP A 68 9.958 -5.437 -7.787 1.00 0.00 C ATOM 982 CG ASP A 68 11.339 -5.079 -8.454 1.00 0.00 C ATOM 983 OD1 ASP A 68 11.397 -5.002 -9.703 1.00 0.00 O ATOM 984 OD2 ASP A 68 12.331 -4.895 -7.710 1.00 0.00 O ATOM 0 H ASP A 68 9.356 -3.108 -9.130 1.00 0.00 H new ATOM 0 HA ASP A 68 8.032 -4.726 -7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.162 -6.007 -6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.420 -6.098 -8.466 1.00 0.00 H new ATOM 989 N VAL A 69 8.173 -3.521 -5.164 1.00 0.00 N ATOM 990 CA VAL A 69 8.041 -2.915 -3.759 1.00 0.00 C ATOM 991 C VAL A 69 8.082 -4.033 -2.570 1.00 0.00 C ATOM 992 O VAL A 69 7.915 -3.710 -1.371 1.00 0.00 O ATOM 993 CB VAL A 69 6.810 -1.795 -3.816 1.00 0.00 C ATOM 994 CG1 VAL A 69 5.701 -1.688 -2.696 1.00 0.00 C ATOM 995 CG2 VAL A 69 7.369 -0.427 -4.141 1.00 0.00 C ATOM 0 H VAL A 69 7.316 -4.000 -5.442 1.00 0.00 H new ATOM 0 HA VAL A 69 8.919 -2.347 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 69 6.203 -2.241 -4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.006 -0.887 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.159 -2.631 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.172 -1.472 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.557 0.299 -4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.084 -0.134 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.869 -0.459 -5.109 1.00 0.00 H new ATOM 1005 N ARG A 70 8.431 -5.332 -2.986 1.00 0.00 N ATOM 1006 CA ARG A 70 8.693 -6.588 -2.074 1.00 0.00 C ATOM 1007 C ARG A 70 9.992 -6.440 -1.110 1.00 0.00 C ATOM 1008 O ARG A 70 10.052 -7.074 -0.013 1.00 0.00 O ATOM 1009 CB ARG A 70 8.784 -7.931 -2.925 1.00 0.00 C ATOM 1010 CG ARG A 70 7.449 -8.584 -3.347 1.00 0.00 C ATOM 1011 CD ARG A 70 7.702 -9.917 -4.061 1.00 0.00 C ATOM 1012 NE ARG A 70 6.416 -10.641 -4.430 1.00 0.00 N ATOM 1013 CZ ARG A 70 6.234 -11.914 -5.040 1.00 0.00 C ATOM 1014 NH1 ARG A 70 7.260 -12.756 -5.399 1.00 0.00 N ATOM 1015 NH2 ARG A 70 4.993 -12.321 -5.276 1.00 0.00 N ATOM 0 H ARG A 70 8.543 -5.554 -3.975 1.00 0.00 H new ATOM 0 HA ARG A 70 7.824 -6.646 -1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.359 -7.723 -3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.351 -8.661 -2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.825 -8.749 -2.469 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.901 -7.911 -4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.283 -9.735 -4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.304 -10.560 -3.419 1.00 0.00 H new ATOM 0 HE ARG A 70 5.556 -10.140 -4.207 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.228 -12.481 -5.231 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.053 -13.656 -5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.204 -11.727 -5.021 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.828 -13.228 -5.712 1.00 0.00 H new ATOM 1029 N GLU A 71 11.001 -5.492 -1.567 1.00 0.00 N ATOM 1030 CA GLU A 71 12.312 -5.103 -0.923 1.00 0.00 C ATOM 1031 C GLU A 71 12.738 -3.639 -1.391 1.00 0.00 C ATOM 1032 O GLU A 71 13.441 -3.433 -2.459 1.00 0.00 O ATOM 1033 CB GLU A 71 13.502 -6.166 -1.129 1.00 0.00 C ATOM 1034 CG GLU A 71 13.620 -7.316 -0.072 1.00 0.00 C ATOM 1035 CD GLU A 71 14.786 -8.303 -0.319 1.00 0.00 C ATOM 1036 OE1 GLU A 71 14.574 -9.330 -1.022 1.00 0.00 O ATOM 1037 OE2 GLU A 71 15.904 -8.067 0.220 1.00 0.00 O ATOM 0 H GLU A 71 10.864 -4.984 -2.441 1.00 0.00 H new ATOM 0 HA GLU A 71 12.135 -5.103 0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.383 -6.621 -2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.445 -5.620 -1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.741 -6.872 0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.685 -7.876 -0.058 1.00 0.00 H new ATOM 1044 N VAL A 72 12.161 -2.598 -0.630 1.00 0.00 N ATOM 1045 CA VAL A 72 12.471 -1.071 -0.756 1.00 0.00 C ATOM 1046 C VAL A 72 12.430 -0.401 0.702 1.00 0.00 C ATOM 1047 O VAL A 72 11.949 -1.018 1.680 1.00 0.00 O ATOM 1048 CB VAL A 72 11.470 -0.190 -1.894 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.538 -0.690 -3.358 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.020 0.272 -1.536 1.00 0.00 C ATOM 0 H VAL A 72 11.466 -2.789 0.091 1.00 0.00 H new ATOM 0 HA VAL A 72 13.471 -0.999 -1.184 1.00 0.00 H new ATOM 0 HB VAL A 72 12.020 0.743 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.884 -0.080 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.563 -0.612 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.215 -1.730 -3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.586 0.799 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.409 -0.599 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.053 0.939 -0.674 1.00 0.00 H new ATOM 1060 N THR A 73 12.875 0.915 0.735 1.00 0.00 N ATOM 1061 CA THR A 73 12.726 1.947 1.900 1.00 0.00 C ATOM 1062 C THR A 73 11.269 2.621 1.841 1.00 0.00 C ATOM 1063 O THR A 73 10.606 2.536 0.771 1.00 0.00 O ATOM 1064 CB THR A 73 13.867 3.111 1.890 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.184 3.616 0.573 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.132 2.730 2.637 1.00 0.00 C ATOM 0 H THR A 73 13.365 1.320 -0.062 1.00 0.00 H new ATOM 0 HA THR A 73 12.857 1.390 2.827 1.00 0.00 H new ATOM 0 HB THR A 73 13.399 3.929 2.438 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.872 4.310 0.646 1.00 0.00 H new ATOM 0 HG21 THR A 73 15.845 3.553 2.588 1.00 0.00 H new ATOM 0 HG22 THR A 73 14.890 2.521 3.679 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.570 1.842 2.181 1.00 0.00 H new ATOM 1074 N HIS A 74 10.770 3.306 2.999 1.00 0.00 N ATOM 1075 CA HIS A 74 9.356 4.062 3.073 1.00 0.00 C ATOM 1076 C HIS A 74 9.121 5.123 1.855 1.00 0.00 C ATOM 1077 O HIS A 74 8.194 4.927 0.955 1.00 0.00 O ATOM 1078 CB HIS A 74 9.017 4.663 4.559 1.00 0.00 C ATOM 1079 CG HIS A 74 9.896 5.837 5.175 1.00 0.00 C ATOM 1080 ND1 HIS A 74 11.059 5.638 5.905 1.00 0.00 N ATOM 1081 CD2 HIS A 74 9.709 7.196 5.159 1.00 0.00 C ATOM 1082 CE1 HIS A 74 11.543 6.821 6.310 1.00 0.00 C ATOM 1083 NE2 HIS A 74 10.742 7.769 5.867 1.00 0.00 N ATOM 0 H HIS A 74 11.295 3.358 3.872 1.00 0.00 H new ATOM 0 HA HIS A 74 8.605 3.289 2.911 1.00 0.00 H new ATOM 0 HB2 HIS A 74 7.985 5.012 4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.057 3.829 5.260 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.898 7.722 4.678 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.436 6.971 6.898 1.00 0.00 H new ATOM 0 HE2 HIS A 74 10.867 8.769 6.024 1.00 0.00 H new ATOM 1092 N SER A 75 10.233 6.028 1.702 1.00 0.00 N ATOM 1093 CA SER A 75 10.418 7.125 0.637 1.00 0.00 C ATOM 1094 C SER A 75 10.404 6.584 -0.875 1.00 0.00 C ATOM 1095 O SER A 75 9.785 7.237 -1.728 1.00 0.00 O ATOM 1096 CB SER A 75 11.705 7.986 0.926 1.00 0.00 C ATOM 1097 OG SER A 75 11.597 8.724 2.143 1.00 0.00 O ATOM 0 H SER A 75 11.026 5.992 2.342 1.00 0.00 H new ATOM 0 HA SER A 75 9.540 7.766 0.722 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.575 7.331 0.976 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.872 8.675 0.098 1.00 0.00 H new ATOM 0 HG SER A 75 12.416 9.242 2.285 1.00 0.00 H new ATOM 1103 N ALA A 76 10.921 5.222 -1.106 1.00 0.00 N ATOM 1104 CA ALA A 76 11.017 4.506 -2.425 1.00 0.00 C ATOM 1105 C ALA A 76 9.594 3.903 -2.931 1.00 0.00 C ATOM 1106 O ALA A 76 9.408 3.689 -4.171 1.00 0.00 O ATOM 1107 CB ALA A 76 12.107 3.438 -2.282 1.00 0.00 C ATOM 0 H ALA A 76 11.266 4.649 -0.336 1.00 0.00 H new ATOM 0 HA ALA A 76 11.288 5.211 -3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.209 2.894 -3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.055 3.916 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.834 2.743 -1.488 1.00 0.00 H new ATOM 1113 N ALA A 77 8.573 3.679 -1.899 1.00 0.00 N ATOM 1114 CA ALA A 77 7.106 3.301 -2.147 1.00 0.00 C ATOM 1115 C ALA A 77 6.132 4.578 -2.281 1.00 0.00 C ATOM 1116 O ALA A 77 5.118 4.511 -3.039 1.00 0.00 O ATOM 1117 CB ALA A 77 6.611 2.305 -1.077 1.00 0.00 C ATOM 0 H ALA A 77 8.788 3.765 -0.906 1.00 0.00 H new ATOM 0 HA ALA A 77 7.068 2.806 -3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.569 2.050 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.218 1.401 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.695 2.760 -0.090 1.00 0.00 H new ATOM 1123 N VAL A 78 6.509 5.773 -1.544 1.00 0.00 N ATOM 1124 CA VAL A 78 5.792 7.199 -1.599 1.00 0.00 C ATOM 1125 C VAL A 78 6.113 7.972 -3.017 1.00 0.00 C ATOM 1126 O VAL A 78 5.201 8.552 -3.584 1.00 0.00 O ATOM 1127 CB VAL A 78 6.153 8.152 -0.230 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.426 9.534 -0.139 1.00 0.00 C ATOM 1129 CG2 VAL A 78 5.789 7.451 1.063 1.00 0.00 C ATOM 0 H VAL A 78 7.305 5.772 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 78 4.716 7.029 -1.568 1.00 0.00 H new ATOM 0 HB VAL A 78 7.223 8.313 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.734 10.048 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.689 10.141 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.348 9.377 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.036 8.094 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.721 7.235 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.348 6.519 1.141 1.00 0.00 H new ATOM 1139 N GLU A 79 7.439 7.877 -3.536 1.00 0.00 N ATOM 1140 CA GLU A 79 8.025 8.494 -4.886 1.00 0.00 C ATOM 1141 C GLU A 79 7.445 7.868 -6.236 1.00 0.00 C ATOM 1142 O GLU A 79 7.564 8.473 -7.324 1.00 0.00 O ATOM 1143 CB GLU A 79 9.608 8.447 -4.902 1.00 0.00 C ATOM 1144 CG GLU A 79 10.361 9.463 -3.958 1.00 0.00 C ATOM 1145 CD GLU A 79 10.568 10.928 -4.480 1.00 0.00 C ATOM 1146 OE1 GLU A 79 9.674 11.782 -4.246 1.00 0.00 O ATOM 1147 OE2 GLU A 79 11.631 11.204 -5.090 1.00 0.00 O ATOM 0 H GLU A 79 8.156 7.361 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 79 7.681 9.528 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.920 7.438 -4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.942 8.622 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.812 9.517 -3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.342 9.046 -3.731 1.00 0.00 H new ATOM 1154 N ALA A 80 6.797 6.612 -6.100 1.00 0.00 N ATOM 1155 CA ALA A 80 5.915 5.930 -7.124 1.00 0.00 C ATOM 1156 C ALA A 80 4.429 6.575 -7.140 1.00 0.00 C ATOM 1157 O ALA A 80 3.776 6.611 -8.222 1.00 0.00 O ATOM 1158 CB ALA A 80 5.898 4.400 -6.863 1.00 0.00 C ATOM 0 H ALA A 80 6.892 6.057 -5.250 1.00 0.00 H new ATOM 0 HA ALA A 80 6.327 6.093 -8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.262 3.912 -7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.912 4.007 -6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.508 4.206 -5.864 1.00 0.00 H new ATOM 1164 N LEU A 81 3.960 7.151 -5.870 1.00 0.00 N ATOM 1165 CA LEU A 81 2.607 7.811 -5.614 1.00 0.00 C ATOM 1166 C LEU A 81 2.502 9.386 -5.788 1.00 0.00 C ATOM 1167 O LEU A 81 1.415 9.910 -6.186 1.00 0.00 O ATOM 1168 CB LEU A 81 1.905 7.224 -4.283 1.00 0.00 C ATOM 1169 CG LEU A 81 1.829 5.603 -4.023 1.00 0.00 C ATOM 1170 CD1 LEU A 81 0.979 5.266 -2.871 1.00 0.00 C ATOM 1171 CD2 LEU A 81 1.458 4.707 -5.245 1.00 0.00 C ATOM 0 H LEU A 81 4.546 7.143 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 81 2.005 7.504 -6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.420 7.663 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.882 7.600 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 81 2.869 5.356 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.959 4.184 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.381 5.735 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.034 5.629 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.443 3.661 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.474 4.990 -5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.198 4.843 -6.034 1.00 0.00 H new ATOM 1183 N LYS A 82 3.665 10.109 -5.489 1.00 0.00 N ATOM 1184 CA LYS A 82 3.897 11.625 -5.644 1.00 0.00 C ATOM 1185 C LYS A 82 4.424 12.060 -7.094 1.00 0.00 C ATOM 1186 O LYS A 82 4.015 13.155 -7.591 1.00 0.00 O ATOM 1187 CB LYS A 82 4.839 12.198 -4.492 1.00 0.00 C ATOM 1188 CG LYS A 82 4.162 12.449 -3.106 1.00 0.00 C ATOM 1189 CD LYS A 82 5.156 13.096 -2.092 1.00 0.00 C ATOM 1190 CE LYS A 82 4.526 13.466 -0.704 1.00 0.00 C ATOM 1191 NZ LYS A 82 3.635 14.697 -0.718 1.00 0.00 N ATOM 0 H LYS A 82 4.493 9.639 -5.122 1.00 0.00 H new ATOM 0 HA LYS A 82 2.911 12.077 -5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.666 11.502 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.270 13.138 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.297 13.100 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.793 11.505 -2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.986 12.408 -1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.574 13.998 -2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.943 12.617 -0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.331 13.625 0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.263 14.867 0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.188 15.522 -1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.844 14.545 -1.376 1.00 0.00 H new ATOM 1205 N GLU A 83 5.308 11.148 -7.776 1.00 0.00 N ATOM 1206 CA GLU A 83 5.969 11.428 -9.199 1.00 0.00 C ATOM 1207 C GLU A 83 5.186 11.062 -10.516 1.00 0.00 C ATOM 1208 O GLU A 83 5.430 11.740 -11.588 1.00 0.00 O ATOM 1209 CB GLU A 83 7.435 10.969 -9.299 1.00 0.00 C ATOM 1210 CG GLU A 83 8.376 11.889 -8.547 1.00 0.00 C ATOM 1211 CD GLU A 83 9.894 11.613 -8.742 1.00 0.00 C ATOM 1212 OE1 GLU A 83 10.468 10.794 -7.973 1.00 0.00 O ATOM 1213 OE2 GLU A 83 10.509 12.240 -9.647 1.00 0.00 O ATOM 0 H GLU A 83 5.573 10.245 -7.383 1.00 0.00 H new ATOM 0 HA GLU A 83 5.907 12.516 -9.186 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.525 9.958 -8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.730 10.928 -10.347 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.171 12.915 -8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.147 11.821 -7.483 1.00 0.00 H new ATOM 1220 N ALA A 84 4.180 10.041 -10.448 1.00 0.00 N ATOM 1221 CA ALA A 84 3.293 9.549 -11.677 1.00 0.00 C ATOM 1222 C ALA A 84 2.410 10.709 -12.419 1.00 0.00 C ATOM 1223 O ALA A 84 2.052 10.577 -13.638 1.00 0.00 O ATOM 1224 CB ALA A 84 2.459 8.315 -11.297 1.00 0.00 C ATOM 0 H ALA A 84 3.962 9.550 -9.581 1.00 0.00 H new ATOM 0 HA ALA A 84 4.008 9.256 -12.446 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.863 8.000 -12.154 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.124 7.504 -11.000 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.798 8.564 -10.467 1.00 0.00 H new ATOM 1230 N GLY A 85 2.132 11.841 -11.603 1.00 0.00 N ATOM 1231 CA GLY A 85 1.605 13.169 -12.052 1.00 0.00 C ATOM 1232 C GLY A 85 0.143 13.520 -11.820 1.00 0.00 C ATOM 1233 O GLY A 85 -0.160 14.704 -11.535 1.00 0.00 O ATOM 0 H GLY A 85 2.285 11.815 -10.595 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.205 13.938 -11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.792 13.248 -13.123 1.00 0.00 H new ATOM 1237 N SER A 86 -0.784 12.451 -11.917 1.00 0.00 N ATOM 1238 CA SER A 86 -2.340 12.511 -11.920 1.00 0.00 C ATOM 1239 C SER A 86 -2.999 11.081 -11.787 1.00 0.00 C ATOM 1240 O SER A 86 -4.062 10.967 -11.147 1.00 0.00 O ATOM 1241 CB SER A 86 -2.901 13.202 -13.250 1.00 0.00 C ATOM 1242 OG SER A 86 -2.792 14.619 -13.222 1.00 0.00 O ATOM 0 H SER A 86 -0.454 11.489 -11.998 1.00 0.00 H new ATOM 0 HA SER A 86 -2.611 13.109 -11.050 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.356 12.817 -14.112 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.947 12.925 -13.385 1.00 0.00 H new ATOM 0 HG SER A 86 -1.994 14.876 -12.715 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.324 9.976 -12.420 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.853 8.536 -12.521 1.00 0.00 C ATOM 1250 C ILE A 87 -1.819 7.565 -11.839 1.00 0.00 C ATOM 1251 O ILE A 87 -0.693 7.309 -12.377 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.336 8.082 -14.119 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.295 9.194 -14.903 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -3.925 6.595 -14.286 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.695 9.661 -14.296 1.00 0.00 C ATOM 0 H ILE A 87 -1.411 10.086 -12.861 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.790 8.462 -11.970 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.371 8.074 -14.626 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.693 10.092 -15.039 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.498 8.793 -15.896 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.193 6.425 -15.329 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.171 5.869 -13.982 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.811 6.482 -13.661 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.157 10.388 -14.964 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.352 8.798 -14.190 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.534 10.117 -13.319 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.290 7.054 -10.631 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.539 6.158 -9.678 1.00 0.00 C ATOM 1269 C VAL A 88 -2.236 4.744 -9.459 1.00 0.00 C ATOM 1270 O VAL A 88 -3.391 4.664 -8.980 1.00 0.00 O ATOM 1271 CB VAL A 88 -1.101 7.000 -8.340 1.00 0.00 C ATOM 1272 CG1 VAL A 88 -1.852 7.033 -6.948 1.00 0.00 C ATOM 1273 CG2 VAL A 88 0.298 7.463 -8.354 1.00 0.00 C ATOM 0 H VAL A 88 -3.229 7.267 -10.295 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.597 5.850 -10.131 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.912 7.696 -8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.314 7.685 -6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.864 7.412 -7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.896 6.026 -6.534 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.509 8.011 -7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.965 6.604 -8.425 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.456 8.117 -9.211 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.449 3.671 -9.829 1.00 0.00 N ATOM 1284 CA ARG A 89 -1.845 2.169 -9.769 1.00 0.00 C ATOM 1285 C ARG A 89 -1.121 1.332 -8.624 1.00 0.00 C ATOM 1286 O ARG A 89 0.097 1.468 -8.419 1.00 0.00 O ATOM 1287 CB ARG A 89 -1.953 1.418 -11.238 1.00 0.00 C ATOM 1288 CG ARG A 89 -0.775 1.468 -12.234 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.208 0.769 -13.487 1.00 0.00 C ATOM 1290 NE ARG A 89 -0.154 0.801 -14.584 1.00 0.00 N ATOM 1291 CZ ARG A 89 -0.252 0.434 -15.956 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -1.396 -0.042 -16.548 1.00 0.00 N ATOM 1293 NH2 ARG A 89 0.829 0.560 -16.714 1.00 0.00 N ATOM 0 H ARG A 89 -0.503 3.804 -10.186 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.882 2.191 -9.434 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.167 0.367 -11.046 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.823 1.833 -11.748 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.499 2.500 -12.448 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.105 0.984 -11.810 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.448 -0.268 -13.253 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.123 1.232 -13.857 1.00 0.00 H new ATOM 0 HE ARG A 89 0.764 1.137 -14.291 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.248 -0.152 -15.997 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.394 -0.286 -17.538 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.697 0.911 -16.310 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.792 0.306 -17.701 1.00 0.00 H new ATOM 1307 N LEU A 90 -1.985 0.546 -7.834 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.632 -0.365 -6.650 1.00 0.00 C ATOM 1309 C LEU A 90 -2.163 -1.860 -6.810 1.00 0.00 C ATOM 1310 O LEU A 90 -3.316 -2.095 -7.314 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.070 0.334 -5.204 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.548 0.829 -4.935 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.410 -0.246 -4.284 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -3.508 2.088 -4.127 1.00 0.00 C ATOM 0 H LEU A 90 -2.988 0.536 -8.020 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.547 -0.465 -6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.830 -0.384 -4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.417 1.195 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.023 1.042 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.415 0.143 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.460 -1.117 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.972 -0.534 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.525 2.432 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.009 1.895 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.961 2.855 -4.675 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.267 -2.850 -6.334 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.498 -4.343 -6.297 1.00 0.00 C ATOM 1328 C TYR A 91 -1.369 -4.892 -4.830 1.00 0.00 C ATOM 1329 O TYR A 91 -0.202 -4.939 -4.225 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.529 -5.127 -7.359 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.873 -6.627 -7.786 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.142 -7.011 -8.267 1.00 0.00 C ATOM 1333 CD2 TYR A 91 0.090 -7.606 -7.681 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.424 -8.283 -8.610 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.174 -8.911 -8.038 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.436 -9.253 -8.502 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.699 -10.554 -8.874 1.00 0.00 O ATOM 0 H TYR A 91 -0.351 -2.598 -5.963 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.520 -4.541 -6.619 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.493 -4.529 -8.270 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.477 -5.130 -6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.913 -6.261 -8.364 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.071 -7.346 -7.312 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.409 -8.546 -8.966 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.597 -9.663 -7.957 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.898 -11.102 -8.735 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.603 -5.344 -4.321 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.877 -5.881 -2.875 1.00 0.00 C ATOM 1349 C VAL A 92 -3.102 -7.521 -2.774 1.00 0.00 C ATOM 1350 O VAL A 92 -3.510 -8.183 -3.786 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.097 -5.022 -2.068 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.802 -3.515 -1.913 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.530 -5.233 -2.665 1.00 0.00 C ATOM 0 H VAL A 92 -3.445 -5.350 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.944 -5.689 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.091 -5.464 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.628 -3.035 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.882 -3.381 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.687 -3.063 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.252 -4.650 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.543 -4.907 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.794 -6.289 -2.613 1.00 0.00 H new ATOM 1363 N MET A 93 -2.901 -8.062 -1.472 1.00 0.00 N ATOM 1364 CA MET A 93 -2.955 -9.568 -1.040 1.00 0.00 C ATOM 1365 C MET A 93 -3.960 -9.863 0.181 1.00 0.00 C ATOM 1366 O MET A 93 -3.748 -9.365 1.333 1.00 0.00 O ATOM 1367 CB MET A 93 -1.451 -10.256 -0.848 1.00 0.00 C ATOM 1368 CG MET A 93 -0.417 -9.632 0.185 1.00 0.00 C ATOM 1369 SD MET A 93 1.142 -10.538 0.237 1.00 0.00 S ATOM 1370 CE MET A 93 2.038 -9.601 1.472 1.00 0.00 C ATOM 0 H MET A 93 -2.693 -7.453 -0.680 1.00 0.00 H new ATOM 0 HA MET A 93 -3.400 -10.085 -1.890 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.605 -11.297 -0.564 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.969 -10.260 -1.826 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.221 -8.594 -0.084 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.862 -9.625 1.180 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.025 -10.040 1.616 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.145 -8.569 1.139 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.490 -9.623 2.414 1.00 0.00 H new ATOM 1380 N ARG A 94 -5.063 -10.691 -0.139 1.00 0.00 N ATOM 1381 CA ARG A 94 -6.171 -11.175 0.824 1.00 0.00 C ATOM 1382 C ARG A 94 -6.330 -12.755 0.813 1.00 0.00 C ATOM 1383 O ARG A 94 -6.535 -13.369 -0.260 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.599 -10.334 0.731 1.00 0.00 C ATOM 1385 CG ARG A 94 -8.339 -10.169 -0.685 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.668 -9.353 -0.620 1.00 0.00 C ATOM 1387 NE ARG A 94 -10.862 -10.110 0.002 1.00 0.00 N ATOM 1388 CZ ARG A 94 -12.211 -9.703 0.157 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.700 -8.484 -0.241 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -13.057 -10.551 0.723 1.00 0.00 N ATOM 0 H ARG A 94 -5.203 -11.042 -1.087 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.816 -10.920 1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.303 -10.813 1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.412 -9.333 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.659 -9.680 -1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.553 -11.159 -1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.492 -8.444 -0.044 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.938 -9.044 -1.630 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.648 -11.043 0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.079 -7.804 -0.680 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.684 -8.258 -0.098 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.731 -11.466 1.033 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.035 -10.288 0.849 1.00 0.00 H new ATOM 1404 N ARG A 95 -6.234 -13.380 2.067 1.00 0.00 N ATOM 1405 CA ARG A 95 -6.257 -14.913 2.354 1.00 0.00 C ATOM 1406 C ARG A 95 -7.657 -15.676 2.168 1.00 0.00 C ATOM 1407 O ARG A 95 -8.756 -15.081 2.341 1.00 0.00 O ATOM 1408 CB ARG A 95 -5.561 -15.286 3.734 1.00 0.00 C ATOM 1409 CG ARG A 95 -4.006 -15.389 3.697 1.00 0.00 C ATOM 1410 CD ARG A 95 -3.428 -16.047 4.967 1.00 0.00 C ATOM 1411 NE ARG A 95 -3.497 -17.595 4.983 1.00 0.00 N ATOM 1412 CZ ARG A 95 -3.047 -18.510 5.968 1.00 0.00 C ATOM 1413 NH1 ARG A 95 -2.425 -18.144 7.134 1.00 0.00 N ATOM 1414 NH2 ARG A 95 -3.238 -19.805 5.751 1.00 0.00 N ATOM 0 H ARG A 95 -6.137 -12.834 2.923 1.00 0.00 H new ATOM 0 HA ARG A 95 -5.653 -15.306 1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -5.840 -14.537 4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -5.963 -16.240 4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.704 -15.966 2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.581 -14.392 3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.387 -15.742 5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -3.965 -15.664 5.835 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.931 -18.019 4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.260 -17.158 7.336 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.127 -18.858 7.799 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.697 -20.116 4.895 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.926 -20.489 6.440 1.00 0.00 H new ATOM 1428 N LYS A 96 -7.514 -17.040 1.800 1.00 0.00 N ATOM 1429 CA LYS A 96 -8.610 -18.117 1.510 1.00 0.00 C ATOM 1430 C LYS A 96 -9.636 -18.481 2.783 1.00 0.00 C ATOM 1431 O LYS A 96 -9.118 -18.555 3.933 1.00 0.00 O ATOM 1432 CB LYS A 96 -7.995 -19.470 0.805 1.00 0.00 C ATOM 1433 CG LYS A 96 -6.726 -20.174 1.473 1.00 0.00 C ATOM 1434 CD LYS A 96 -6.436 -21.565 0.928 1.00 0.00 C ATOM 1435 CE LYS A 96 -5.228 -22.186 1.643 1.00 0.00 C ATOM 1436 NZ LYS A 96 -4.932 -23.565 1.174 1.00 0.00 N ATOM 0 H LYS A 96 -6.582 -17.440 1.692 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.258 -17.625 0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.795 -20.209 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.730 -19.217 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.850 -19.544 1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.885 -20.242 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.310 -22.202 1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.242 -21.508 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.353 -21.556 1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.416 -22.204 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -3.902 -23.709 1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.361 -24.253 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.325 -23.699 0.221 1.00 0.00 H new ATOM 1450 N PRO A 97 -11.159 -18.701 2.576 1.00 0.00 N ATOM 1451 CA PRO A 97 -12.166 -19.049 3.721 1.00 0.00 C ATOM 1452 C PRO A 97 -11.915 -20.423 4.646 1.00 0.00 C ATOM 1453 O PRO A 97 -12.107 -20.284 5.884 1.00 0.00 O ATOM 1454 CB PRO A 97 -13.559 -19.075 3.003 1.00 0.00 C ATOM 1455 CG PRO A 97 -13.379 -18.254 1.766 1.00 0.00 C ATOM 1456 CD PRO A 97 -11.987 -18.553 1.269 1.00 0.00 C ATOM 0 HA PRO A 97 -12.050 -18.297 4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.857 -20.095 2.759 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.339 -18.659 3.641 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -14.125 -18.511 1.015 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.497 -17.192 1.982 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.961 -19.465 0.672 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.604 -17.749 0.640 1.00 0.00 H new ATOM 1464 N PRO A 98 -11.460 -21.803 4.067 1.00 0.00 N ATOM 1465 CA PRO A 98 -11.212 -23.078 4.951 1.00 0.00 C ATOM 1466 C PRO A 98 -9.938 -23.036 5.966 1.00 0.00 C ATOM 1467 O PRO A 98 -8.849 -22.477 5.611 1.00 0.00 O ATOM 1468 CB PRO A 98 -11.076 -24.240 3.887 1.00 0.00 C ATOM 1469 CG PRO A 98 -11.631 -23.687 2.604 1.00 0.00 C ATOM 1470 CD PRO A 98 -11.254 -22.229 2.592 1.00 0.00 C ATOM 0 HA PRO A 98 -12.032 -23.196 5.659 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -10.035 -24.539 3.766 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -11.628 -25.126 4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -11.214 -24.206 1.741 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -12.713 -23.812 2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.223 -22.081 2.270 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -11.885 -21.655 1.914 1.00 0.00 H new ATOM 1478 N ALA A 99 -10.171 -23.625 7.251 1.00 0.00 N ATOM 1479 CA ALA A 99 -9.169 -23.737 8.397 1.00 0.00 C ATOM 1480 C ALA A 99 -8.667 -25.225 8.635 1.00 0.00 C ATOM 1481 O ALA A 99 -9.473 -26.117 9.077 1.00 0.00 O ATOM 1482 CB ALA A 99 -9.700 -23.037 9.708 1.00 0.00 C ATOM 1483 OXT ALA A 99 -7.470 -25.476 8.368 1.00 0.00 O ATOM 0 H ALA A 99 -11.075 -24.030 7.493 1.00 0.00 H new ATOM 0 HA ALA A 99 -8.279 -23.185 8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.959 -23.138 10.500 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.877 -21.980 9.510 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.632 -23.509 10.020 1.00 0.00 H new TER 1489 ALA A 99 ATOM 1490 N VAL B 1 5.251 2.212 16.250 1.00 0.00 N ATOM 1491 CA VAL B 1 4.879 2.009 17.716 1.00 0.00 C ATOM 1492 C VAL B 1 5.952 2.549 18.740 1.00 0.00 C ATOM 1493 O VAL B 1 5.653 3.490 19.521 1.00 0.00 O ATOM 1494 CB VAL B 1 4.159 0.552 18.139 1.00 0.00 C ATOM 1495 CG1 VAL B 1 2.713 0.441 17.621 1.00 0.00 C ATOM 1496 CG2 VAL B 1 4.973 -0.759 17.720 1.00 0.00 C ATOM 0 H1 VAL B 1 4.504 2.758 15.775 1.00 0.00 H new ATOM 0 H2 VAL B 1 6.151 2.730 16.189 1.00 0.00 H new ATOM 0 H3 VAL B 1 5.352 1.287 15.786 1.00 0.00 H new ATOM 0 HA VAL B 1 4.029 2.683 17.819 1.00 0.00 H new ATOM 0 HB VAL B 1 4.160 0.583 19.229 1.00 0.00 H new ATOM 0 HG11 VAL B 1 2.292 -0.519 17.921 1.00 0.00 H new ATOM 0 HG12 VAL B 1 2.113 1.248 18.042 1.00 0.00 H new ATOM 0 HG13 VAL B 1 2.709 0.515 16.534 1.00 0.00 H new ATOM 0 HG21 VAL B 1 4.424 -1.645 18.038 1.00 0.00 H new ATOM 0 HG22 VAL B 1 5.098 -0.779 16.637 1.00 0.00 H new ATOM 0 HG23 VAL B 1 5.952 -0.748 18.199 1.00 0.00 H new ATOM 1508 N VAL B 2 7.176 1.906 18.688 1.00 0.00 N ATOM 1509 CA VAL B 2 8.469 2.248 19.462 1.00 0.00 C ATOM 1510 C VAL B 2 9.639 2.824 18.487 1.00 0.00 C ATOM 1511 O VAL B 2 10.693 3.328 18.978 1.00 0.00 O ATOM 1512 CB VAL B 2 9.024 1.012 20.483 1.00 0.00 C ATOM 1513 CG1 VAL B 2 8.180 0.900 21.765 1.00 0.00 C ATOM 1514 CG2 VAL B 2 9.149 -0.445 19.824 1.00 0.00 C ATOM 0 H VAL B 2 7.311 1.096 18.082 1.00 0.00 H new ATOM 0 HA VAL B 2 8.186 3.056 20.137 1.00 0.00 H new ATOM 0 HB VAL B 2 10.040 1.334 20.712 1.00 0.00 H new ATOM 0 HG11 VAL B 2 8.571 0.096 22.389 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.226 1.841 22.314 1.00 0.00 H new ATOM 0 HG13 VAL B 2 7.145 0.684 21.501 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.512 -1.152 20.570 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.172 -0.767 19.465 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.848 -0.408 18.989 1.00 0.00 H new ATOM 1524 N SER B 3 9.339 2.788 17.068 1.00 0.00 N ATOM 1525 CA SER B 3 10.332 3.046 15.890 1.00 0.00 C ATOM 1526 C SER B 3 9.703 3.859 14.632 1.00 0.00 C ATOM 1527 O SER B 3 10.389 4.050 13.568 1.00 0.00 O ATOM 1528 CB SER B 3 11.054 1.664 15.463 1.00 0.00 C ATOM 1529 OG SER B 3 10.152 0.595 15.224 1.00 0.00 O ATOM 0 H SER B 3 8.399 2.578 16.733 1.00 0.00 H new ATOM 0 HA SER B 3 11.092 3.731 16.265 1.00 0.00 H new ATOM 0 HB2 SER B 3 11.644 1.837 14.563 1.00 0.00 H new ATOM 0 HB3 SER B 3 11.750 1.371 16.249 1.00 0.00 H new ATOM 0 HG SER B 3 10.588 -0.256 15.440 1.00 0.00 H new ATOM 1535 N GLU B 4 8.428 4.488 14.859 1.00 0.00 N ATOM 1536 CA GLU B 4 7.521 5.164 13.819 1.00 0.00 C ATOM 1537 C GLU B 4 7.942 6.671 13.416 1.00 0.00 C ATOM 1538 O GLU B 4 8.309 7.527 14.279 1.00 0.00 O ATOM 1539 CB GLU B 4 5.993 5.099 14.349 1.00 0.00 C ATOM 1540 CG GLU B 4 4.807 5.276 13.338 1.00 0.00 C ATOM 1541 CD GLU B 4 3.424 5.451 14.023 1.00 0.00 C ATOM 1542 OE1 GLU B 4 2.730 4.427 14.271 1.00 0.00 O ATOM 1543 OE2 GLU B 4 3.024 6.621 14.285 1.00 0.00 O ATOM 0 H GLU B 4 8.021 4.525 15.793 1.00 0.00 H new ATOM 0 HA GLU B 4 7.636 4.607 12.889 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.860 4.135 14.840 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.883 5.865 15.116 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.004 6.144 12.709 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.769 4.408 12.680 1.00 0.00 H new ATOM 1550 N ARG B 5 7.909 6.865 12.024 1.00 0.00 N ATOM 1551 CA ARG B 5 7.887 8.171 11.252 1.00 0.00 C ATOM 1552 C ARG B 5 6.826 7.992 10.067 1.00 0.00 C ATOM 1553 O ARG B 5 7.191 7.594 8.888 1.00 0.00 O ATOM 1554 CB ARG B 5 9.350 8.722 10.738 1.00 0.00 C ATOM 1555 CG ARG B 5 10.306 9.292 11.812 1.00 0.00 C ATOM 1556 CD ARG B 5 11.617 9.772 11.185 1.00 0.00 C ATOM 1557 NE ARG B 5 12.575 10.356 12.214 1.00 0.00 N ATOM 1558 CZ ARG B 5 13.835 10.991 12.028 1.00 0.00 C ATOM 1559 NH1 ARG B 5 14.429 11.189 10.805 1.00 0.00 N ATOM 1560 NH2 ARG B 5 14.482 11.423 13.104 1.00 0.00 N ATOM 0 H ARG B 5 7.897 6.065 11.392 1.00 0.00 H new ATOM 0 HA ARG B 5 7.586 8.968 11.932 1.00 0.00 H new ATOM 0 HB2 ARG B 5 9.861 7.903 10.231 1.00 0.00 H new ATOM 0 HB3 ARG B 5 9.176 9.499 9.993 1.00 0.00 H new ATOM 0 HG2 ARG B 5 9.823 10.120 12.330 1.00 0.00 H new ATOM 0 HG3 ARG B 5 10.516 8.527 12.559 1.00 0.00 H new ATOM 0 HD2 ARG B 5 12.100 8.938 10.676 1.00 0.00 H new ATOM 0 HD3 ARG B 5 11.400 10.525 10.427 1.00 0.00 H new ATOM 0 HE ARG B 5 12.267 10.281 13.184 1.00 0.00 H new ATOM 0 HH11 ARG B 5 13.963 10.872 9.955 1.00 0.00 H new ATOM 0 HH12 ARG B 5 15.336 11.653 10.747 1.00 0.00 H new ATOM 0 HH21 ARG B 5 14.074 11.296 14.030 1.00 0.00 H new ATOM 0 HH22 ARG B 5 15.387 11.882 13.005 1.00 0.00 H new ATOM 1574 N ILE B 6 5.437 8.153 10.458 1.00 0.00 N ATOM 1575 CA ILE B 6 4.265 8.015 9.496 1.00 0.00 C ATOM 1576 C ILE B 6 3.658 9.442 8.984 1.00 0.00 C ATOM 1577 O ILE B 6 2.592 9.943 9.450 1.00 0.00 O ATOM 1578 CB ILE B 6 3.209 6.715 9.820 1.00 0.00 C ATOM 1579 CG1 ILE B 6 2.837 5.940 8.385 1.00 0.00 C ATOM 1580 CG2 ILE B 6 1.976 7.037 10.838 1.00 0.00 C ATOM 1581 CD1 ILE B 6 1.895 4.658 8.314 1.00 0.00 C ATOM 0 H ILE B 6 5.153 8.371 11.413 1.00 0.00 H new ATOM 0 HA ILE B 6 4.673 7.641 8.557 1.00 0.00 H new ATOM 0 HB ILE B 6 3.735 5.989 10.440 1.00 0.00 H new ATOM 0 HG12 ILE B 6 2.388 6.691 7.735 1.00 0.00 H new ATOM 0 HG13 ILE B 6 3.786 5.653 7.933 1.00 0.00 H new ATOM 0 HG21 ILE B 6 1.371 6.140 10.971 1.00 0.00 H new ATOM 0 HG22 ILE B 6 2.374 7.353 11.802 1.00 0.00 H new ATOM 0 HG23 ILE B 6 1.359 7.833 10.422 1.00 0.00 H new ATOM 0 HD11 ILE B 6 1.800 4.333 7.278 1.00 0.00 H new ATOM 0 HD12 ILE B 6 2.329 3.854 8.908 1.00 0.00 H new ATOM 0 HD13 ILE B 6 0.910 4.908 8.707 1.00 0.00 H new ATOM 1593 N SER B 7 4.514 10.071 8.093 1.00 0.00 N ATOM 1594 CA SER B 7 4.259 11.371 7.276 1.00 0.00 C ATOM 1595 C SER B 7 4.023 11.021 5.668 1.00 0.00 C ATOM 1596 O SER B 7 4.223 11.892 4.747 1.00 0.00 O ATOM 1597 CB SER B 7 5.493 12.369 7.551 1.00 0.00 C ATOM 1598 OG SER B 7 5.279 13.686 7.027 1.00 0.00 O ATOM 0 H SER B 7 5.440 9.688 7.903 1.00 0.00 H new ATOM 0 HA SER B 7 3.341 11.867 7.592 1.00 0.00 H new ATOM 0 HB2 SER B 7 5.666 12.436 8.625 1.00 0.00 H new ATOM 0 HB3 SER B 7 6.397 11.951 7.108 1.00 0.00 H new ATOM 0 HG SER B 7 4.878 13.622 6.135 1.00 0.00 H new ATOM 1604 N SER B 8 3.438 9.741 5.421 1.00 0.00 N ATOM 1605 CA SER B 8 3.244 9.035 4.077 1.00 0.00 C ATOM 1606 C SER B 8 1.762 9.172 3.443 1.00 0.00 C ATOM 1607 O SER B 8 0.828 9.715 4.098 1.00 0.00 O ATOM 1608 CB SER B 8 3.658 7.506 4.246 1.00 0.00 C ATOM 1609 OG SER B 8 5.027 7.345 4.634 1.00 0.00 O ATOM 0 H SER B 8 3.085 9.174 6.192 1.00 0.00 H new ATOM 0 HA SER B 8 3.888 9.539 3.356 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.015 7.040 4.993 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.487 6.981 3.306 1.00 0.00 H new ATOM 0 HG SER B 8 5.210 6.397 4.803 1.00 0.00 H new ATOM 1615 N VAL B 9 1.621 8.678 2.105 1.00 0.00 N ATOM 1616 CA VAL B 9 0.337 8.600 1.248 1.00 0.00 C ATOM 1617 C VAL B 9 0.028 7.020 1.111 1.00 0.00 C ATOM 1618 O VAL B 9 -0.498 6.462 2.056 1.00 0.00 O ATOM 1619 CB VAL B 9 0.519 9.378 -0.288 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.815 9.615 -0.996 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.281 10.746 -0.267 1.00 0.00 C ATOM 1622 OXT VAL B 9 0.339 6.404 0.084 1.00 0.00 O ATOM 0 H VAL B 9 2.429 8.318 1.596 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.493 9.133 1.713 1.00 0.00 H new ATOM 0 HB VAL B 9 1.130 8.658 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -0.637 10.105 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -1.312 8.660 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -1.448 10.249 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL B 9 1.338 11.146 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL B 9 0.747 11.450 0.372 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.288 10.595 0.121 1.00 0.00 H new TER 1632 VAL B 9