USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 494 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: B 20 THR OG1 : rot -30:sc= 1.08 USER MOD Set 1.2: B 21 MET CE :methyl -154:sc= -0.0857 (180deg=-0.365) USER MOD Set 2.1: A 30 LYS NZ :NH3+ 151:sc= -0.438 (180deg=-1.3) USER MOD Set 2.2: B 30 LYS NZ :NH3+ 151:sc= -0.471 (180deg=-1.32) USER MOD Set 3.1: A 20 THR OG1 : rot -33:sc= 1.16 USER MOD Set 3.2: A 21 MET CE :methyl -155:sc= -0.11 (180deg=-0.395) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -148:sc= -0.133 (180deg=-0.875) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 133:sc= -0.0277 (180deg=-0.449) USER MOD Single : A 32 LYS NZ :NH3+ 160:sc= -0.0429 (180deg=-0.519) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -150:sc= -0.166 (180deg=-0.884) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 165:sc= -0.048 (180deg=-0.462) USER MOD Single : B 32 LYS NZ :NH3+ 161:sc= -0.0697 (180deg=-0.505) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 1.206 1.459 -2.944 1.00 0.00 N ATOM 2 CA LYS A 5 1.597 2.066 -1.642 1.00 0.00 C ATOM 3 C LYS A 5 3.044 1.700 -1.327 1.00 0.00 C ATOM 4 O LYS A 5 3.394 1.436 -0.177 1.00 0.00 O ATOM 5 CB LYS A 5 0.668 1.545 -0.542 1.00 0.00 C ATOM 6 CG LYS A 5 -0.741 2.098 -0.768 1.00 0.00 C ATOM 7 CD LYS A 5 -1.683 1.567 0.314 1.00 0.00 C ATOM 8 CE LYS A 5 -3.086 2.137 0.091 1.00 0.00 C ATOM 9 NZ LYS A 5 -4.008 1.613 1.138 1.00 0.00 N ATOM 0 HA LYS A 5 1.510 3.151 -1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.649 0.455 -0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.038 1.849 0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.722 3.188 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.103 1.806 -1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.712 0.478 0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.317 1.849 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.058 3.226 0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.449 1.861 -0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.961 2.000 0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.043 0.575 1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.664 1.897 2.077 1.00 0.00 H new ATOM 22 N GLY A 6 3.881 1.689 -2.359 1.00 0.00 N ATOM 23 CA GLY A 6 5.292 1.356 -2.194 1.00 0.00 C ATOM 24 C GLY A 6 6.007 2.395 -1.336 1.00 0.00 C ATOM 25 O GLY A 6 6.940 2.070 -0.604 1.00 0.00 O ATOM 0 H GLY A 6 3.608 1.906 -3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.385 0.373 -1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.771 1.296 -3.171 1.00 0.00 H new ATOM 29 N ALA A 7 5.575 3.646 -1.443 1.00 0.00 N ATOM 30 CA ALA A 7 6.194 4.729 -0.683 1.00 0.00 C ATOM 31 C ALA A 7 6.156 4.444 0.816 1.00 0.00 C ATOM 32 O ALA A 7 6.980 4.958 1.573 1.00 0.00 O ATOM 33 CB ALA A 7 5.470 6.045 -0.971 1.00 0.00 C ATOM 0 H ALA A 7 4.804 3.936 -2.044 1.00 0.00 H new ATOM 0 HA ALA A 7 7.236 4.805 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.936 6.849 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.534 6.270 -2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.423 5.955 -0.682 1.00 0.00 H new ATOM 39 N ILE A 8 5.193 3.635 1.243 1.00 0.00 N ATOM 40 CA ILE A 8 5.063 3.314 2.661 1.00 0.00 C ATOM 41 C ILE A 8 6.312 2.584 3.152 1.00 0.00 C ATOM 42 O ILE A 8 6.827 2.886 4.228 1.00 0.00 O ATOM 43 CB ILE A 8 3.810 2.454 2.908 1.00 0.00 C ATOM 44 CG1 ILE A 8 2.564 3.352 2.894 1.00 0.00 C ATOM 45 CG2 ILE A 8 3.908 1.758 4.279 1.00 0.00 C ATOM 46 CD1 ILE A 8 2.522 4.157 1.593 1.00 0.00 C ATOM 0 H ILE A 8 4.500 3.194 0.638 1.00 0.00 H new ATOM 0 HA ILE A 8 4.957 4.244 3.219 1.00 0.00 H new ATOM 0 HB ILE A 8 3.738 1.701 2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.664 2.743 2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.581 4.027 3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.017 1.152 4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.790 1.119 4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.986 2.510 5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.637 4.793 1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.415 4.778 1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.484 3.475 0.744 1.00 0.00 H new ATOM 58 N ILE A 9 6.799 1.623 2.370 1.00 0.00 N ATOM 59 CA ILE A 9 7.985 0.883 2.778 1.00 0.00 C ATOM 60 C ILE A 9 9.092 1.879 3.146 1.00 0.00 C ATOM 61 O ILE A 9 9.919 1.627 4.020 1.00 0.00 O ATOM 62 CB ILE A 9 8.450 -0.068 1.647 1.00 0.00 C ATOM 63 CG1 ILE A 9 9.199 -1.283 2.248 1.00 0.00 C ATOM 64 CG2 ILE A 9 9.382 0.673 0.679 1.00 0.00 C ATOM 65 CD1 ILE A 9 8.202 -2.371 2.665 1.00 0.00 C ATOM 0 H ILE A 9 6.401 1.345 1.473 1.00 0.00 H new ATOM 0 HA ILE A 9 7.751 0.269 3.648 1.00 0.00 H new ATOM 0 HB ILE A 9 7.570 -0.415 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.900 -1.684 1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.785 -0.967 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.701 -0.007 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.852 1.518 0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.256 1.035 1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.743 -3.219 3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.518 -1.970 3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.635 -2.699 1.793 1.00 0.00 H new ATOM 77 N GLY A 10 9.078 3.008 2.449 1.00 0.00 N ATOM 78 CA GLY A 10 10.061 4.060 2.673 1.00 0.00 C ATOM 79 C GLY A 10 9.960 4.619 4.093 1.00 0.00 C ATOM 80 O GLY A 10 10.974 4.834 4.755 1.00 0.00 O ATOM 0 H GLY A 10 8.395 3.219 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.063 3.666 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.909 4.863 1.952 1.00 0.00 H new ATOM 84 N LEU A 11 8.731 4.848 4.555 1.00 0.00 N ATOM 85 CA LEU A 11 8.505 5.377 5.896 1.00 0.00 C ATOM 86 C LEU A 11 8.552 4.260 6.937 1.00 0.00 C ATOM 87 O LEU A 11 8.835 4.502 8.107 1.00 0.00 O ATOM 88 CB LEU A 11 7.143 6.078 5.936 1.00 0.00 C ATOM 89 CG LEU A 11 6.851 6.602 7.345 1.00 0.00 C ATOM 90 CD1 LEU A 11 7.970 7.544 7.816 1.00 0.00 C ATOM 91 CD2 LEU A 11 5.519 7.355 7.325 1.00 0.00 C ATOM 0 H LEU A 11 7.880 4.675 4.020 1.00 0.00 H new ATOM 0 HA LEU A 11 9.294 6.091 6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.131 6.904 5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.361 5.383 5.631 1.00 0.00 H new ATOM 0 HG LEU A 11 6.798 5.761 8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.743 7.905 8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.917 7.005 7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.044 8.391 7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.300 7.733 8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.583 8.190 6.627 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.724 6.679 7.010 1.00 0.00 H new ATOM 103 N MET A 12 8.269 3.044 6.500 1.00 0.00 N ATOM 104 CA MET A 12 8.275 1.893 7.373 1.00 0.00 C ATOM 105 C MET A 12 9.659 1.691 7.986 1.00 0.00 C ATOM 106 O MET A 12 9.837 1.780 9.200 1.00 0.00 O ATOM 107 CB MET A 12 7.893 0.706 6.501 1.00 0.00 C ATOM 108 CG MET A 12 7.993 -0.608 7.250 1.00 0.00 C ATOM 109 SD MET A 12 6.834 -0.644 8.645 1.00 0.00 S ATOM 110 CE MET A 12 8.026 -0.855 9.995 1.00 0.00 C ATOM 0 H MET A 12 8.030 2.832 5.531 1.00 0.00 H new ATOM 0 HA MET A 12 7.579 2.017 8.203 1.00 0.00 H new ATOM 0 HB2 MET A 12 6.874 0.838 6.136 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.543 0.675 5.627 1.00 0.00 H new ATOM 0 HG2 MET A 12 7.780 -1.435 6.573 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.011 -0.748 7.613 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.571 -1.440 10.794 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.909 -1.375 9.623 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.316 0.122 10.381 1.00 0.00 H new ATOM 120 N VAL A 13 10.631 1.412 7.130 1.00 0.00 N ATOM 121 CA VAL A 13 12.000 1.181 7.574 1.00 0.00 C ATOM 122 C VAL A 13 12.636 2.448 8.137 1.00 0.00 C ATOM 123 O VAL A 13 13.591 2.372 8.911 1.00 0.00 O ATOM 124 CB VAL A 13 12.838 0.655 6.410 1.00 0.00 C ATOM 125 CG1 VAL A 13 12.199 -0.627 5.867 1.00 0.00 C ATOM 126 CG2 VAL A 13 12.894 1.714 5.303 1.00 0.00 C ATOM 0 H VAL A 13 10.498 1.340 6.121 1.00 0.00 H new ATOM 0 HA VAL A 13 11.970 0.441 8.374 1.00 0.00 H new ATOM 0 HB VAL A 13 13.850 0.439 6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.794 -1.006 5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.160 -1.377 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.188 -0.411 5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.492 1.340 4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.884 1.931 4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.346 2.625 5.694 1.00 0.00 H new ATOM 136 N GLY A 14 12.116 3.610 7.757 1.00 0.00 N ATOM 137 CA GLY A 14 12.660 4.870 8.253 1.00 0.00 C ATOM 138 C GLY A 14 12.150 5.178 9.659 1.00 0.00 C ATOM 139 O GLY A 14 12.898 5.670 10.505 1.00 0.00 O ATOM 0 H GLY A 14 11.329 3.707 7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.749 4.821 8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.383 5.679 7.578 1.00 0.00 H new ATOM 143 N GLY A 15 10.871 4.899 9.898 1.00 0.00 N ATOM 144 CA GLY A 15 10.285 5.168 11.203 1.00 0.00 C ATOM 145 C GLY A 15 11.102 4.496 12.291 1.00 0.00 C ATOM 146 O GLY A 15 11.525 5.138 13.250 1.00 0.00 O ATOM 0 H GLY A 15 10.231 4.493 9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.247 6.243 11.378 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.258 4.803 11.231 1.00 0.00 H new ATOM 150 N VAL A 16 11.293 3.194 12.151 1.00 0.00 N ATOM 151 CA VAL A 16 12.029 2.438 13.146 1.00 0.00 C ATOM 152 C VAL A 16 13.309 3.154 13.559 1.00 0.00 C ATOM 153 O VAL A 16 13.544 3.356 14.745 1.00 0.00 O ATOM 154 CB VAL A 16 12.334 1.030 12.621 1.00 0.00 C ATOM 155 CG1 VAL A 16 11.053 0.190 12.639 1.00 0.00 C ATOM 156 CG2 VAL A 16 12.852 1.106 11.183 1.00 0.00 C ATOM 0 H VAL A 16 10.951 2.644 11.363 1.00 0.00 H new ATOM 0 HA VAL A 16 11.405 2.352 14.035 1.00 0.00 H new ATOM 0 HB VAL A 16 13.092 0.574 13.258 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.269 -0.811 12.266 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.676 0.123 13.660 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.301 0.659 12.004 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.066 0.101 10.820 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.096 1.568 10.548 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.764 1.703 11.156 1.00 0.00 H new ATOM 166 N VAL A 17 14.130 3.548 12.600 1.00 0.00 N ATOM 167 CA VAL A 17 15.374 4.236 12.925 1.00 0.00 C ATOM 168 C VAL A 17 15.103 5.535 13.676 1.00 0.00 C ATOM 169 O VAL A 17 15.790 5.857 14.645 1.00 0.00 O ATOM 170 CB VAL A 17 16.150 4.558 11.655 1.00 0.00 C ATOM 171 CG1 VAL A 17 17.459 5.250 12.037 1.00 0.00 C ATOM 172 CG2 VAL A 17 16.452 3.269 10.886 1.00 0.00 C ATOM 0 H VAL A 17 13.964 3.407 11.603 1.00 0.00 H new ATOM 0 HA VAL A 17 15.960 3.571 13.559 1.00 0.00 H new ATOM 0 HB VAL A 17 15.556 5.215 11.019 1.00 0.00 H new ATOM 0 HG11 VAL A 17 18.023 5.485 11.134 1.00 0.00 H new ATOM 0 HG12 VAL A 17 17.240 6.170 12.578 1.00 0.00 H new ATOM 0 HG13 VAL A 17 18.049 4.588 12.671 1.00 0.00 H new ATOM 0 HG21 VAL A 17 17.007 3.508 9.979 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.047 2.603 11.511 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.517 2.777 10.620 1.00 0.00 H new ATOM 182 N ILE A 18 14.094 6.273 13.229 1.00 0.00 N ATOM 183 CA ILE A 18 13.757 7.529 13.889 1.00 0.00 C ATOM 184 C ILE A 18 13.366 7.249 15.339 1.00 0.00 C ATOM 185 O ILE A 18 13.859 7.889 16.267 1.00 0.00 O ATOM 186 CB ILE A 18 12.606 8.225 13.158 1.00 0.00 C ATOM 187 CG1 ILE A 18 13.078 8.652 11.764 1.00 0.00 C ATOM 188 CG2 ILE A 18 12.169 9.459 13.949 1.00 0.00 C ATOM 189 CD1 ILE A 18 11.881 9.119 10.933 1.00 0.00 C ATOM 0 H ILE A 18 13.506 6.032 12.431 1.00 0.00 H new ATOM 0 HA ILE A 18 14.625 8.188 13.868 1.00 0.00 H new ATOM 0 HB ILE A 18 11.764 7.539 13.066 1.00 0.00 H new ATOM 0 HG12 ILE A 18 13.810 9.455 11.848 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.575 7.819 11.267 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.350 9.954 13.428 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.837 9.156 14.942 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.009 10.148 14.042 1.00 0.00 H new ATOM 0 HD11 ILE A 18 12.221 9.422 9.943 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.164 8.303 10.837 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.403 9.965 11.427 1.00 0.00 H new ATOM 201 N ALA A 19 12.463 6.294 15.507 1.00 0.00 N ATOM 202 CA ALA A 19 11.971 5.921 16.833 1.00 0.00 C ATOM 203 C ALA A 19 13.115 5.487 17.752 1.00 0.00 C ATOM 204 O ALA A 19 13.082 5.737 18.956 1.00 0.00 O ATOM 205 CB ALA A 19 10.959 4.781 16.708 1.00 0.00 C ATOM 0 H ALA A 19 12.053 5.759 14.741 1.00 0.00 H new ATOM 0 HA ALA A 19 11.493 6.797 17.272 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.596 4.507 17.698 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.121 5.104 16.091 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.438 3.918 16.246 1.00 0.00 H new ATOM 211 N THR A 20 14.125 4.848 17.177 1.00 0.00 N ATOM 212 CA THR A 20 15.274 4.393 17.957 1.00 0.00 C ATOM 213 C THR A 20 16.163 5.562 18.327 1.00 0.00 C ATOM 214 O THR A 20 16.948 5.476 19.265 1.00 0.00 O ATOM 215 CB THR A 20 16.116 3.397 17.150 1.00 0.00 C ATOM 216 OG1 THR A 20 16.742 4.089 16.079 1.00 0.00 O ATOM 217 CG2 THR A 20 15.254 2.261 16.570 1.00 0.00 C ATOM 0 H THR A 20 14.175 4.633 16.181 1.00 0.00 H new ATOM 0 HA THR A 20 14.888 3.914 18.857 1.00 0.00 H new ATOM 0 HB THR A 20 16.855 2.956 17.819 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.156 4.811 15.769 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.887 1.576 16.005 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.770 1.720 17.383 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.495 2.681 15.910 1.00 0.00 H new ATOM 225 N MET A 21 16.044 6.656 17.595 1.00 0.00 N ATOM 226 CA MET A 21 16.853 7.827 17.883 1.00 0.00 C ATOM 227 C MET A 21 16.227 8.640 19.006 1.00 0.00 C ATOM 228 O MET A 21 16.937 9.275 19.786 1.00 0.00 O ATOM 229 CB MET A 21 17.010 8.683 16.625 1.00 0.00 C ATOM 230 CG MET A 21 18.009 8.022 15.658 1.00 0.00 C ATOM 231 SD MET A 21 19.669 7.953 16.401 1.00 0.00 S ATOM 232 CE MET A 21 19.761 6.165 16.721 1.00 0.00 C ATOM 0 H MET A 21 15.404 6.758 16.807 1.00 0.00 H new ATOM 0 HA MET A 21 17.841 7.499 18.205 1.00 0.00 H new ATOM 0 HB2 MET A 21 16.044 8.805 16.135 1.00 0.00 H new ATOM 0 HB3 MET A 21 17.358 9.680 16.895 1.00 0.00 H new ATOM 0 HG2 MET A 21 17.673 7.015 15.411 1.00 0.00 H new ATOM 0 HG3 MET A 21 18.046 8.583 14.724 1.00 0.00 H new ATOM 0 HE1 MET A 21 20.458 5.977 17.537 1.00 0.00 H new ATOM 0 HE2 MET A 21 18.774 5.793 16.994 1.00 0.00 H new ATOM 0 HE3 MET A 21 20.106 5.652 15.823 1.00 0.00 H new ATOM 242 N ILE A 22 14.896 8.622 19.101 1.00 0.00 N ATOM 243 CA ILE A 22 14.222 9.369 20.152 1.00 0.00 C ATOM 244 C ILE A 22 14.606 8.809 21.516 1.00 0.00 C ATOM 245 O ILE A 22 14.936 9.559 22.428 1.00 0.00 O ATOM 246 CB ILE A 22 12.704 9.274 19.970 1.00 0.00 C ATOM 247 CG1 ILE A 22 12.300 9.994 18.678 1.00 0.00 C ATOM 248 CG2 ILE A 22 12.000 9.938 21.158 1.00 0.00 C ATOM 249 CD1 ILE A 22 10.835 9.690 18.352 1.00 0.00 C ATOM 0 H ILE A 22 14.278 8.107 18.474 1.00 0.00 H new ATOM 0 HA ILE A 22 14.527 10.414 20.092 1.00 0.00 H new ATOM 0 HB ILE A 22 12.413 8.225 19.914 1.00 0.00 H new ATOM 0 HG12 ILE A 22 12.442 11.069 18.790 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.940 9.672 17.856 1.00 0.00 H new ATOM 0 HG21 ILE A 22 10.920 9.869 21.026 1.00 0.00 H new ATOM 0 HG22 ILE A 22 12.286 9.431 22.080 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.292 10.987 21.214 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.553 10.204 17.433 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.707 8.616 18.221 1.00 0.00 H new ATOM 0 HD13 ILE A 22 10.201 10.034 19.170 1.00 0.00 H new ATOM 261 N VAL A 23 14.551 7.485 21.658 1.00 0.00 N ATOM 262 CA VAL A 23 14.887 6.856 22.932 1.00 0.00 C ATOM 263 C VAL A 23 16.349 7.097 23.282 1.00 0.00 C ATOM 264 O VAL A 23 16.695 7.240 24.456 1.00 0.00 O ATOM 265 CB VAL A 23 14.572 5.350 22.897 1.00 0.00 C ATOM 266 CG1 VAL A 23 13.044 5.132 22.821 1.00 0.00 C ATOM 267 CG2 VAL A 23 15.254 4.690 21.686 1.00 0.00 C ATOM 0 H VAL A 23 14.281 6.837 20.918 1.00 0.00 H new ATOM 0 HA VAL A 23 14.273 7.311 23.709 1.00 0.00 H new ATOM 0 HB VAL A 23 14.954 4.892 23.809 1.00 0.00 H new ATOM 0 HG11 VAL A 23 12.830 4.064 22.797 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.569 5.578 23.695 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.654 5.601 21.918 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.023 3.625 21.674 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.890 5.151 20.768 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.333 4.826 21.757 1.00 0.00 H new ATOM 277 N ILE A 24 17.200 7.194 22.273 1.00 0.00 N ATOM 278 CA ILE A 24 18.606 7.479 22.533 1.00 0.00 C ATOM 279 C ILE A 24 18.684 8.763 23.372 1.00 0.00 C ATOM 280 O ILE A 24 19.677 9.008 24.058 1.00 0.00 O ATOM 281 CB ILE A 24 19.389 7.611 21.192 1.00 0.00 C ATOM 282 CG1 ILE A 24 20.163 6.307 20.877 1.00 0.00 C ATOM 283 CG2 ILE A 24 20.401 8.767 21.243 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.291 5.061 21.108 1.00 0.00 C ATOM 0 H ILE A 24 16.953 7.083 21.290 1.00 0.00 H new ATOM 0 HA ILE A 24 19.069 6.663 23.087 1.00 0.00 H new ATOM 0 HB ILE A 24 18.651 7.808 20.415 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.504 6.327 19.842 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.053 6.251 21.504 1.00 0.00 H new ATOM 0 HG21 ILE A 24 20.929 8.830 20.292 1.00 0.00 H new ATOM 0 HG22 ILE A 24 19.875 9.703 21.429 1.00 0.00 H new ATOM 0 HG23 ILE A 24 21.118 8.588 22.045 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.868 4.165 20.877 1.00 0.00 H new ATOM 0 HD12 ILE A 24 18.972 5.028 22.150 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.415 5.105 20.461 1.00 0.00 H new ATOM 296 N THR A 25 17.616 9.565 23.323 1.00 0.00 N ATOM 297 CA THR A 25 17.572 10.800 24.100 1.00 0.00 C ATOM 298 C THR A 25 17.368 10.479 25.585 1.00 0.00 C ATOM 299 O THR A 25 18.021 11.063 26.450 1.00 0.00 O ATOM 300 CB THR A 25 16.469 11.745 23.554 1.00 0.00 C ATOM 301 OG1 THR A 25 16.949 13.081 23.586 1.00 0.00 O ATOM 302 CG2 THR A 25 15.172 11.659 24.378 1.00 0.00 C ATOM 0 H THR A 25 16.784 9.383 22.762 1.00 0.00 H new ATOM 0 HA THR A 25 18.524 11.322 24.001 1.00 0.00 H new ATOM 0 HB THR A 25 16.238 11.436 22.535 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.259 13.685 23.241 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.429 12.338 23.959 1.00 0.00 H new ATOM 0 HG22 THR A 25 14.789 10.639 24.349 1.00 0.00 H new ATOM 0 HG23 THR A 25 15.378 11.940 25.411 1.00 0.00 H new ATOM 310 N LEU A 26 16.454 9.550 25.876 1.00 0.00 N ATOM 311 CA LEU A 26 16.143 9.142 27.245 1.00 0.00 C ATOM 312 C LEU A 26 17.390 8.603 27.942 1.00 0.00 C ATOM 313 O LEU A 26 17.533 8.700 29.159 1.00 0.00 O ATOM 314 CB LEU A 26 15.024 8.078 27.133 1.00 0.00 C ATOM 315 CG LEU A 26 14.897 7.153 28.366 1.00 0.00 C ATOM 316 CD1 LEU A 26 16.076 6.155 28.460 1.00 0.00 C ATOM 317 CD2 LEU A 26 14.741 7.975 29.670 1.00 0.00 C ATOM 0 H LEU A 26 15.909 9.060 25.167 1.00 0.00 H new ATOM 0 HA LEU A 26 15.805 9.981 27.854 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.072 8.585 26.974 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.209 7.465 26.251 1.00 0.00 H new ATOM 0 HG LEU A 26 13.990 6.563 28.238 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.949 5.524 29.339 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.097 5.532 27.566 1.00 0.00 H new ATOM 0 HD13 LEU A 26 17.013 6.706 28.541 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.654 7.297 30.519 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.614 8.614 29.804 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.845 8.593 29.606 1.00 0.00 H new ATOM 329 N VAL A 27 18.303 8.073 27.150 1.00 0.00 N ATOM 330 CA VAL A 27 19.563 7.551 27.680 1.00 0.00 C ATOM 331 C VAL A 27 20.393 8.693 28.275 1.00 0.00 C ATOM 332 O VAL A 27 20.957 8.579 29.362 1.00 0.00 O ATOM 333 CB VAL A 27 20.349 6.884 26.551 1.00 0.00 C ATOM 334 CG1 VAL A 27 21.673 6.341 27.089 1.00 0.00 C ATOM 335 CG2 VAL A 27 19.521 5.740 25.969 1.00 0.00 C ATOM 0 H VAL A 27 18.203 7.990 26.138 1.00 0.00 H new ATOM 0 HA VAL A 27 19.349 6.821 28.461 1.00 0.00 H new ATOM 0 HB VAL A 27 20.558 7.617 25.772 1.00 0.00 H new ATOM 0 HG11 VAL A 27 22.228 5.867 26.279 1.00 0.00 H new ATOM 0 HG12 VAL A 27 22.262 7.161 27.501 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.475 5.608 27.871 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.078 5.261 25.163 1.00 0.00 H new ATOM 0 HG22 VAL A 27 19.311 5.009 26.750 1.00 0.00 H new ATOM 0 HG23 VAL A 27 18.582 6.133 25.578 1.00 0.00 H new ATOM 345 N MET A 28 20.451 9.790 27.530 1.00 0.00 N ATOM 346 CA MET A 28 21.201 10.975 27.947 1.00 0.00 C ATOM 347 C MET A 28 20.496 11.707 29.087 1.00 0.00 C ATOM 348 O MET A 28 21.137 12.365 29.907 1.00 0.00 O ATOM 349 CB MET A 28 21.390 11.923 26.763 1.00 0.00 C ATOM 350 CG MET A 28 22.349 11.287 25.754 1.00 0.00 C ATOM 351 SD MET A 28 22.602 12.415 24.361 1.00 0.00 S ATOM 352 CE MET A 28 23.980 13.351 25.070 1.00 0.00 C ATOM 0 H MET A 28 19.985 9.886 26.628 1.00 0.00 H new ATOM 0 HA MET A 28 22.175 10.643 28.306 1.00 0.00 H new ATOM 0 HB2 MET A 28 20.430 12.128 26.290 1.00 0.00 H new ATOM 0 HB3 MET A 28 21.787 12.878 27.107 1.00 0.00 H new ATOM 0 HG2 MET A 28 23.303 11.066 26.233 1.00 0.00 H new ATOM 0 HG3 MET A 28 21.943 10.340 25.399 1.00 0.00 H new ATOM 0 HE1 MET A 28 24.301 14.116 24.364 1.00 0.00 H new ATOM 0 HE2 MET A 28 23.659 13.825 25.998 1.00 0.00 H new ATOM 0 HE3 MET A 28 24.811 12.676 25.276 1.00 0.00 H new ATOM 362 N LEU A 29 19.176 11.599 29.122 1.00 0.00 N ATOM 363 CA LEU A 29 18.398 12.270 30.159 1.00 0.00 C ATOM 364 C LEU A 29 18.515 11.545 31.497 1.00 0.00 C ATOM 365 O LEU A 29 17.983 12.008 32.506 1.00 0.00 O ATOM 366 CB LEU A 29 16.924 12.362 29.753 1.00 0.00 C ATOM 367 CG LEU A 29 16.766 13.291 28.540 1.00 0.00 C ATOM 368 CD1 LEU A 29 15.313 13.235 28.057 1.00 0.00 C ATOM 369 CD2 LEU A 29 17.131 14.744 28.919 1.00 0.00 C ATOM 0 H LEU A 29 18.624 11.061 28.454 1.00 0.00 H new ATOM 0 HA LEU A 29 18.803 13.275 30.273 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.543 11.370 29.513 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.332 12.737 30.588 1.00 0.00 H new ATOM 0 HG LEU A 29 17.437 12.962 27.747 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.190 13.892 27.196 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.063 12.213 27.773 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.650 13.561 28.859 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.013 15.388 28.047 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.472 15.088 29.716 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.165 14.782 29.261 1.00 0.00 H new ATOM 381 N LYS A 30 19.219 10.418 31.513 1.00 0.00 N ATOM 382 CA LYS A 30 19.389 9.670 32.754 1.00 0.00 C ATOM 383 C LYS A 30 20.269 10.445 33.728 1.00 0.00 C ATOM 384 O LYS A 30 20.274 10.164 34.927 1.00 0.00 O ATOM 385 CB LYS A 30 20.034 8.307 32.492 1.00 0.00 C ATOM 386 CG LYS A 30 19.089 7.421 31.677 1.00 0.00 C ATOM 387 CD LYS A 30 19.567 5.965 31.744 1.00 0.00 C ATOM 388 CE LYS A 30 20.940 5.834 31.082 1.00 0.00 C ATOM 389 NZ LYS A 30 21.251 4.392 30.867 1.00 0.00 N ATOM 0 H LYS A 30 19.674 10.008 30.697 1.00 0.00 H new ATOM 0 HA LYS A 30 18.398 9.523 33.184 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.974 8.439 31.955 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.273 7.822 33.438 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.074 7.500 32.066 1.00 0.00 H new ATOM 0 HG3 LYS A 30 19.060 7.758 30.641 1.00 0.00 H new ATOM 0 HD2 LYS A 30 19.622 5.639 32.783 1.00 0.00 H new ATOM 0 HD3 LYS A 30 18.849 5.315 31.244 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.949 6.365 30.130 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.704 6.292 31.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.872 4.290 30.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.731 4.011 31.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.368 3.867 30.705 1.00 0.00 H new ATOM 403 N LYS A 31 21.020 11.419 33.212 1.00 0.00 N ATOM 404 CA LYS A 31 21.909 12.225 34.054 1.00 0.00 C ATOM 405 C LYS A 31 21.225 13.524 34.473 1.00 0.00 C ATOM 406 O LYS A 31 21.879 14.454 34.945 1.00 0.00 O ATOM 407 CB LYS A 31 23.202 12.541 33.282 1.00 0.00 C ATOM 408 CG LYS A 31 24.340 12.863 34.260 1.00 0.00 C ATOM 409 CD LYS A 31 25.644 13.046 33.480 1.00 0.00 C ATOM 410 CE LYS A 31 26.764 13.439 34.444 1.00 0.00 C ATOM 411 NZ LYS A 31 26.994 12.335 35.418 1.00 0.00 N ATOM 0 H LYS A 31 21.032 11.669 32.223 1.00 0.00 H new ATOM 0 HA LYS A 31 22.149 11.657 34.953 1.00 0.00 H new ATOM 0 HB2 LYS A 31 23.479 11.691 32.659 1.00 0.00 H new ATOM 0 HB3 LYS A 31 23.037 13.386 32.614 1.00 0.00 H new ATOM 0 HG2 LYS A 31 24.108 13.769 34.820 1.00 0.00 H new ATOM 0 HG3 LYS A 31 24.448 12.058 34.987 1.00 0.00 H new ATOM 0 HD2 LYS A 31 25.903 12.123 32.962 1.00 0.00 H new ATOM 0 HD3 LYS A 31 25.519 13.815 32.718 1.00 0.00 H new ATOM 0 HE2 LYS A 31 27.679 13.645 33.889 1.00 0.00 H new ATOM 0 HE3 LYS A 31 26.498 14.355 34.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 28.014 12.146 35.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 26.623 12.611 36.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 26.506 11.477 35.091 1.00 0.00 H new ATOM 425 N LYS A 32 19.903 13.575 34.303 1.00 0.00 N ATOM 426 CA LYS A 32 19.118 14.757 34.662 1.00 0.00 C ATOM 427 C LYS A 32 19.905 16.047 34.438 1.00 0.00 C ATOM 428 O LYS A 32 19.789 16.608 33.361 1.00 0.00 O ATOM 429 CB LYS A 32 18.666 14.672 36.123 1.00 0.00 C ATOM 430 CG LYS A 32 19.878 14.532 37.049 1.00 0.00 C ATOM 431 CD LYS A 32 19.422 14.635 38.505 1.00 0.00 C ATOM 432 CE LYS A 32 20.627 14.450 39.429 1.00 0.00 C ATOM 433 NZ LYS A 32 21.620 15.533 39.179 1.00 0.00 N ATOM 0 H LYS A 32 19.352 12.808 33.917 1.00 0.00 H new ATOM 0 HA LYS A 32 18.243 14.779 34.012 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.099 15.565 36.388 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.999 13.820 36.255 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.371 13.575 36.878 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.609 15.311 36.830 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.958 15.605 38.684 1.00 0.00 H new ATOM 0 HD3 LYS A 32 18.668 13.877 38.716 1.00 0.00 H new ATOM 0 HE2 LYS A 32 20.306 14.471 40.470 1.00 0.00 H new ATOM 0 HE3 LYS A 32 21.085 13.476 39.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 22.254 15.619 39.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 22.178 15.303 38.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 21.122 16.434 39.031 1.00 0.00 H new TER 447 LYS A 32 ATOM 448 N LYS B 5 -4.232 -2.654 2.154 1.00 0.00 N ATOM 449 CA LYS B 5 -2.970 -2.899 2.906 1.00 0.00 C ATOM 450 C LYS B 5 -3.060 -2.236 4.278 1.00 0.00 C ATOM 451 O LYS B 5 -2.082 -1.683 4.778 1.00 0.00 O ATOM 452 CB LYS B 5 -1.791 -2.322 2.117 1.00 0.00 C ATOM 453 CG LYS B 5 -1.594 -3.138 0.837 1.00 0.00 C ATOM 454 CD LYS B 5 -0.429 -2.558 0.031 1.00 0.00 C ATOM 455 CE LYS B 5 -0.228 -3.389 -1.238 1.00 0.00 C ATOM 456 NZ LYS B 5 0.898 -2.820 -2.032 1.00 0.00 N ATOM 0 HA LYS B 5 -2.820 -3.970 3.039 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -1.979 -1.277 1.871 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -0.885 -2.349 2.722 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -1.394 -4.180 1.086 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -2.506 -3.122 0.240 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -0.633 -1.519 -0.229 1.00 0.00 H new ATOM 0 HD3 LYS B 5 0.481 -2.563 0.631 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -0.015 -4.426 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -1.142 -3.391 -1.833 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 1.035 -3.385 -2.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 0.677 -1.838 -2.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 1.769 -2.840 -1.463 1.00 0.00 H new ATOM 469 N GLY B 6 -4.243 -2.302 4.878 1.00 0.00 N ATOM 470 CA GLY B 6 -4.463 -1.709 6.194 1.00 0.00 C ATOM 471 C GLY B 6 -3.629 -2.410 7.263 1.00 0.00 C ATOM 472 O GLY B 6 -3.195 -1.787 8.228 1.00 0.00 O ATOM 0 H GLY B 6 -5.062 -2.758 4.477 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -4.207 -0.650 6.166 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -5.520 -1.774 6.453 1.00 0.00 H new ATOM 476 N ALA B 7 -3.422 -3.710 7.089 1.00 0.00 N ATOM 477 CA ALA B 7 -2.653 -4.490 8.054 1.00 0.00 C ATOM 478 C ALA B 7 -1.254 -3.908 8.245 1.00 0.00 C ATOM 479 O ALA B 7 -0.629 -4.107 9.286 1.00 0.00 O ATOM 480 CB ALA B 7 -2.541 -5.940 7.579 1.00 0.00 C ATOM 0 H ALA B 7 -3.773 -4.244 6.294 1.00 0.00 H new ATOM 0 HA ALA B 7 -3.175 -4.453 9.010 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.966 -6.517 8.303 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -3.538 -6.369 7.483 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -2.039 -5.968 6.612 1.00 0.00 H new ATOM 486 N ILE B 8 -0.760 -3.202 7.233 1.00 0.00 N ATOM 487 CA ILE B 8 0.575 -2.618 7.314 1.00 0.00 C ATOM 488 C ILE B 8 0.637 -1.601 8.453 1.00 0.00 C ATOM 489 O ILE B 8 1.603 -1.581 9.216 1.00 0.00 O ATOM 490 CB ILE B 8 0.953 -1.947 5.980 1.00 0.00 C ATOM 491 CG1 ILE B 8 1.375 -3.025 4.971 1.00 0.00 C ATOM 492 CG2 ILE B 8 2.128 -0.974 6.191 1.00 0.00 C ATOM 493 CD1 ILE B 8 0.273 -4.081 4.849 1.00 0.00 C ATOM 0 H ILE B 8 -1.255 -3.022 6.359 1.00 0.00 H new ATOM 0 HA ILE B 8 1.290 -3.416 7.515 1.00 0.00 H new ATOM 0 HB ILE B 8 0.091 -1.397 5.603 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.566 -2.571 3.999 1.00 0.00 H new ATOM 0 HG13 ILE B 8 2.306 -3.493 5.292 1.00 0.00 H new ATOM 0 HG21 ILE B 8 2.387 -0.505 5.242 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.840 -0.206 6.908 1.00 0.00 H new ATOM 0 HG23 ILE B 8 2.990 -1.522 6.572 1.00 0.00 H new ATOM 0 HD11 ILE B 8 0.577 -4.843 4.132 1.00 0.00 H new ATOM 0 HD12 ILE B 8 0.104 -4.544 5.821 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.648 -3.608 4.507 1.00 0.00 H new ATOM 505 N ILE B 9 -0.385 -0.758 8.569 1.00 0.00 N ATOM 506 CA ILE B 9 -0.390 0.239 9.631 1.00 0.00 C ATOM 507 C ILE B 9 -0.121 -0.456 10.970 1.00 0.00 C ATOM 508 O ILE B 9 0.486 0.108 11.879 1.00 0.00 O ATOM 509 CB ILE B 9 -1.740 0.998 9.662 1.00 0.00 C ATOM 510 CG1 ILE B 9 -1.540 2.419 10.242 1.00 0.00 C ATOM 511 CG2 ILE B 9 -2.756 0.238 10.525 1.00 0.00 C ATOM 512 CD1 ILE B 9 -1.097 3.387 9.136 1.00 0.00 C ATOM 0 H ILE B 9 -1.201 -0.744 7.957 1.00 0.00 H new ATOM 0 HA ILE B 9 0.394 0.973 9.444 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.117 1.073 8.642 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.469 2.770 10.692 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -0.792 2.394 11.034 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.701 0.782 10.539 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.916 -0.756 10.108 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -2.374 0.148 11.542 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -0.960 4.383 9.557 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.157 3.042 8.706 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -1.860 3.424 8.358 1.00 0.00 H new ATOM 524 N GLY B 10 -0.596 -1.692 11.059 1.00 0.00 N ATOM 525 CA GLY B 10 -0.428 -2.494 12.265 1.00 0.00 C ATOM 526 C GLY B 10 1.050 -2.751 12.556 1.00 0.00 C ATOM 527 O GLY B 10 1.490 -2.650 13.702 1.00 0.00 O ATOM 0 H GLY B 10 -1.102 -2.162 10.308 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.884 -1.982 13.112 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -0.949 -3.444 12.149 1.00 0.00 H new ATOM 531 N LEU B 11 1.813 -3.081 11.515 1.00 0.00 N ATOM 532 CA LEU B 11 3.239 -3.348 11.665 1.00 0.00 C ATOM 533 C LEU B 11 4.039 -2.046 11.676 1.00 0.00 C ATOM 534 O LEU B 11 5.137 -1.986 12.221 1.00 0.00 O ATOM 535 CB LEU B 11 3.707 -4.243 10.514 1.00 0.00 C ATOM 536 CG LEU B 11 5.214 -4.501 10.612 1.00 0.00 C ATOM 537 CD1 LEU B 11 5.569 -5.122 11.973 1.00 0.00 C ATOM 538 CD2 LEU B 11 5.625 -5.456 9.488 1.00 0.00 C ATOM 0 H LEU B 11 1.466 -3.169 10.560 1.00 0.00 H new ATOM 0 HA LEU B 11 3.406 -3.854 12.616 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.168 -5.190 10.540 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.475 -3.770 9.560 1.00 0.00 H new ATOM 0 HG LEU B 11 5.747 -3.555 10.516 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.644 -5.298 12.024 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.275 -4.441 12.772 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.041 -6.068 12.090 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.696 -5.648 9.547 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.082 -6.395 9.592 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.390 -5.006 8.524 1.00 0.00 H new ATOM 550 N MET B 12 3.478 -1.013 11.066 1.00 0.00 N ATOM 551 CA MET B 12 4.119 0.279 10.999 1.00 0.00 C ATOM 552 C MET B 12 4.357 0.835 12.402 1.00 0.00 C ATOM 553 O MET B 12 5.497 1.034 12.823 1.00 0.00 O ATOM 554 CB MET B 12 3.171 1.176 10.219 1.00 0.00 C ATOM 555 CG MET B 12 3.645 2.615 10.182 1.00 0.00 C ATOM 556 SD MET B 12 5.241 2.747 9.330 1.00 0.00 S ATOM 557 CE MET B 12 6.227 3.435 10.689 1.00 0.00 C ATOM 0 H MET B 12 2.568 -1.053 10.607 1.00 0.00 H new ATOM 0 HA MET B 12 5.094 0.216 10.516 1.00 0.00 H new ATOM 0 HB2 MET B 12 3.074 0.801 9.200 1.00 0.00 H new ATOM 0 HB3 MET B 12 2.180 1.133 10.670 1.00 0.00 H new ATOM 0 HG2 MET B 12 2.905 3.233 9.674 1.00 0.00 H new ATOM 0 HG3 MET B 12 3.738 2.998 11.198 1.00 0.00 H new ATOM 0 HE1 MET B 12 7.021 4.061 10.282 1.00 0.00 H new ATOM 0 HE2 MET B 12 5.587 4.035 11.335 1.00 0.00 H new ATOM 0 HE3 MET B 12 6.667 2.622 11.267 1.00 0.00 H new ATOM 567 N VAL B 13 3.267 1.087 13.111 1.00 0.00 N ATOM 568 CA VAL B 13 3.343 1.633 14.461 1.00 0.00 C ATOM 569 C VAL B 13 3.952 0.637 15.444 1.00 0.00 C ATOM 570 O VAL B 13 4.462 1.033 16.491 1.00 0.00 O ATOM 571 CB VAL B 13 1.946 2.036 14.932 1.00 0.00 C ATOM 572 CG1 VAL B 13 1.355 3.050 13.949 1.00 0.00 C ATOM 573 CG2 VAL B 13 1.051 0.794 14.996 1.00 0.00 C ATOM 0 H VAL B 13 2.318 0.923 12.775 1.00 0.00 H new ATOM 0 HA VAL B 13 3.993 2.508 14.431 1.00 0.00 H new ATOM 0 HB VAL B 13 2.007 2.485 15.923 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.358 3.340 14.281 1.00 0.00 H new ATOM 0 HG12 VAL B 13 1.995 3.932 13.907 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.291 2.601 12.958 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.054 1.081 15.332 1.00 0.00 H new ATOM 0 HG22 VAL B 13 0.984 0.342 14.006 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.477 0.074 15.695 1.00 0.00 H new ATOM 583 N GLY B 14 3.902 -0.650 15.114 1.00 0.00 N ATOM 584 CA GLY B 14 4.466 -1.667 15.996 1.00 0.00 C ATOM 585 C GLY B 14 5.983 -1.756 15.839 1.00 0.00 C ATOM 586 O GLY B 14 6.707 -1.926 16.820 1.00 0.00 O ATOM 0 H GLY B 14 3.484 -1.010 14.256 1.00 0.00 H new ATOM 0 HA2 GLY B 14 4.218 -1.432 17.031 1.00 0.00 H new ATOM 0 HA3 GLY B 14 4.017 -2.635 15.773 1.00 0.00 H new ATOM 590 N GLY B 15 6.457 -1.650 14.599 1.00 0.00 N ATOM 591 CA GLY B 15 7.887 -1.733 14.343 1.00 0.00 C ATOM 592 C GLY B 15 8.631 -0.723 15.196 1.00 0.00 C ATOM 593 O GLY B 15 9.561 -1.068 15.921 1.00 0.00 O ATOM 0 H GLY B 15 5.880 -1.509 13.770 1.00 0.00 H new ATOM 0 HA2 GLY B 15 8.245 -2.739 14.562 1.00 0.00 H new ATOM 0 HA3 GLY B 15 8.086 -1.546 13.288 1.00 0.00 H new ATOM 597 N VAL B 16 8.234 0.536 15.079 1.00 0.00 N ATOM 598 CA VAL B 16 8.892 1.596 15.818 1.00 0.00 C ATOM 599 C VAL B 16 9.116 1.207 17.276 1.00 0.00 C ATOM 600 O VAL B 16 10.234 1.301 17.769 1.00 0.00 O ATOM 601 CB VAL B 16 8.081 2.894 15.716 1.00 0.00 C ATOM 602 CG1 VAL B 16 8.250 3.491 14.315 1.00 0.00 C ATOM 603 CG2 VAL B 16 6.597 2.605 15.953 1.00 0.00 C ATOM 0 H VAL B 16 7.465 0.844 14.483 1.00 0.00 H new ATOM 0 HA VAL B 16 9.873 1.760 15.372 1.00 0.00 H new ATOM 0 HB VAL B 16 8.440 3.595 16.469 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.674 4.414 14.241 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.304 3.705 14.135 1.00 0.00 H new ATOM 0 HG13 VAL B 16 7.893 2.779 13.571 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.029 3.533 15.879 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.239 1.900 15.203 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.464 2.177 16.946 1.00 0.00 H new ATOM 613 N VAL B 17 8.075 0.764 17.959 1.00 0.00 N ATOM 614 CA VAL B 17 8.219 0.379 19.359 1.00 0.00 C ATOM 615 C VAL B 17 9.221 -0.762 19.514 1.00 0.00 C ATOM 616 O VAL B 17 10.047 -0.753 20.426 1.00 0.00 O ATOM 617 CB VAL B 17 6.880 -0.068 19.927 1.00 0.00 C ATOM 618 CG1 VAL B 17 7.063 -0.435 21.401 1.00 0.00 C ATOM 619 CG2 VAL B 17 5.856 1.064 19.800 1.00 0.00 C ATOM 0 H VAL B 17 7.134 0.662 17.579 1.00 0.00 H new ATOM 0 HA VAL B 17 8.581 1.252 19.903 1.00 0.00 H new ATOM 0 HB VAL B 17 6.518 -0.934 19.373 1.00 0.00 H new ATOM 0 HG11 VAL B 17 6.108 -0.757 21.817 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.788 -1.245 21.487 1.00 0.00 H new ATOM 0 HG13 VAL B 17 7.424 0.435 21.950 1.00 0.00 H new ATOM 0 HG21 VAL B 17 4.900 0.737 20.209 1.00 0.00 H new ATOM 0 HG22 VAL B 17 6.207 1.936 20.352 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.731 1.326 18.749 1.00 0.00 H new ATOM 629 N ILE B 18 9.146 -1.734 18.616 1.00 0.00 N ATOM 630 CA ILE B 18 10.069 -2.863 18.681 1.00 0.00 C ATOM 631 C ILE B 18 11.500 -2.355 18.526 1.00 0.00 C ATOM 632 O ILE B 18 12.386 -2.694 19.309 1.00 0.00 O ATOM 633 CB ILE B 18 9.748 -3.879 17.581 1.00 0.00 C ATOM 634 CG1 ILE B 18 8.375 -4.503 17.856 1.00 0.00 C ATOM 635 CG2 ILE B 18 10.815 -4.976 17.572 1.00 0.00 C ATOM 636 CD1 ILE B 18 7.930 -5.329 16.647 1.00 0.00 C ATOM 0 H ILE B 18 8.473 -1.767 17.850 1.00 0.00 H new ATOM 0 HA ILE B 18 9.962 -3.358 19.646 1.00 0.00 H new ATOM 0 HB ILE B 18 9.736 -3.379 16.613 1.00 0.00 H new ATOM 0 HG12 ILE B 18 8.424 -5.136 18.742 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.645 -3.721 18.062 1.00 0.00 H new ATOM 0 HG21 ILE B 18 10.587 -5.699 16.789 1.00 0.00 H new ATOM 0 HG22 ILE B 18 11.792 -4.532 17.382 1.00 0.00 H new ATOM 0 HG23 ILE B 18 10.827 -5.479 18.539 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.954 -5.770 16.847 1.00 0.00 H new ATOM 0 HD12 ILE B 18 7.864 -4.684 15.770 1.00 0.00 H new ATOM 0 HD13 ILE B 18 8.655 -6.121 16.461 1.00 0.00 H new ATOM 648 N ALA B 19 11.707 -1.551 17.491 1.00 0.00 N ATOM 649 CA ALA B 19 13.028 -0.997 17.198 1.00 0.00 C ATOM 650 C ALA B 19 13.575 -0.194 18.378 1.00 0.00 C ATOM 651 O ALA B 19 14.778 -0.188 18.630 1.00 0.00 O ATOM 652 CB ALA B 19 12.948 -0.096 15.964 1.00 0.00 C ATOM 0 H ALA B 19 10.977 -1.266 16.838 1.00 0.00 H new ATOM 0 HA ALA B 19 13.705 -1.830 17.010 1.00 0.00 H new ATOM 0 HB1 ALA B 19 13.934 0.315 15.749 1.00 0.00 H new ATOM 0 HB2 ALA B 19 12.604 -0.679 15.110 1.00 0.00 H new ATOM 0 HB3 ALA B 19 12.249 0.719 16.153 1.00 0.00 H new ATOM 658 N THR B 20 12.685 0.471 19.104 1.00 0.00 N ATOM 659 CA THR B 20 13.096 1.265 20.260 1.00 0.00 C ATOM 660 C THR B 20 13.444 0.367 21.428 1.00 0.00 C ATOM 661 O THR B 20 14.151 0.778 22.341 1.00 0.00 O ATOM 662 CB THR B 20 11.961 2.198 20.704 1.00 0.00 C ATOM 663 OG1 THR B 20 10.908 1.413 21.246 1.00 0.00 O ATOM 664 CG2 THR B 20 11.409 3.026 19.529 1.00 0.00 C ATOM 0 H THR B 20 11.682 0.478 18.917 1.00 0.00 H new ATOM 0 HA THR B 20 13.968 1.848 19.963 1.00 0.00 H new ATOM 0 HB THR B 20 12.360 2.888 21.447 1.00 0.00 H new ATOM 0 HG1 THR B 20 10.895 0.536 20.809 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.608 3.673 19.885 1.00 0.00 H new ATOM 0 HG22 THR B 20 12.208 3.636 19.107 1.00 0.00 H new ATOM 0 HG23 THR B 20 11.020 2.356 18.762 1.00 0.00 H new ATOM 672 N MET B 21 12.954 -0.861 21.401 1.00 0.00 N ATOM 673 CA MET B 21 13.244 -1.794 22.477 1.00 0.00 C ATOM 674 C MET B 21 14.600 -2.446 22.260 1.00 0.00 C ATOM 675 O MET B 21 15.293 -2.776 23.223 1.00 0.00 O ATOM 676 CB MET B 21 12.146 -2.855 22.564 1.00 0.00 C ATOM 677 CG MET B 21 10.879 -2.253 23.200 1.00 0.00 C ATOM 678 SD MET B 21 11.202 -1.751 24.920 1.00 0.00 S ATOM 679 CE MET B 21 11.186 0.053 24.695 1.00 0.00 C ATOM 0 H MET B 21 12.362 -1.232 20.658 1.00 0.00 H new ATOM 0 HA MET B 21 13.273 -1.246 23.419 1.00 0.00 H new ATOM 0 HB2 MET B 21 11.917 -3.235 21.569 1.00 0.00 H new ATOM 0 HB3 MET B 21 12.493 -3.701 23.157 1.00 0.00 H new ATOM 0 HG2 MET B 21 10.549 -1.391 22.620 1.00 0.00 H new ATOM 0 HG3 MET B 21 10.070 -2.984 23.174 1.00 0.00 H new ATOM 0 HE1 MET B 21 11.793 0.522 25.470 1.00 0.00 H new ATOM 0 HE2 MET B 21 11.594 0.301 23.715 1.00 0.00 H new ATOM 0 HE3 MET B 21 10.162 0.419 24.765 1.00 0.00 H new ATOM 689 N ILE B 22 14.990 -2.632 20.998 1.00 0.00 N ATOM 690 CA ILE B 22 16.279 -3.243 20.709 1.00 0.00 C ATOM 691 C ILE B 22 17.404 -2.354 21.222 1.00 0.00 C ATOM 692 O ILE B 22 18.329 -2.831 21.870 1.00 0.00 O ATOM 693 CB ILE B 22 16.435 -3.446 19.198 1.00 0.00 C ATOM 694 CG1 ILE B 22 15.411 -4.477 18.714 1.00 0.00 C ATOM 695 CG2 ILE B 22 17.847 -3.954 18.890 1.00 0.00 C ATOM 696 CD1 ILE B 22 15.381 -4.499 17.182 1.00 0.00 C ATOM 0 H ILE B 22 14.442 -2.373 20.178 1.00 0.00 H new ATOM 0 HA ILE B 22 16.329 -4.210 21.209 1.00 0.00 H new ATOM 0 HB ILE B 22 16.270 -2.497 18.688 1.00 0.00 H new ATOM 0 HG12 ILE B 22 15.668 -5.465 19.096 1.00 0.00 H new ATOM 0 HG13 ILE B 22 14.423 -4.232 19.103 1.00 0.00 H new ATOM 0 HG21 ILE B 22 17.956 -4.098 17.815 1.00 0.00 H new ATOM 0 HG22 ILE B 22 18.580 -3.224 19.234 1.00 0.00 H new ATOM 0 HG23 ILE B 22 18.012 -4.902 19.401 1.00 0.00 H new ATOM 0 HD11 ILE B 22 14.651 -5.234 16.843 1.00 0.00 H new ATOM 0 HD12 ILE B 22 15.103 -3.513 16.809 1.00 0.00 H new ATOM 0 HD13 ILE B 22 16.367 -4.766 16.803 1.00 0.00 H new ATOM 708 N VAL B 23 17.331 -1.059 20.919 1.00 0.00 N ATOM 709 CA VAL B 23 18.369 -0.130 21.355 1.00 0.00 C ATOM 710 C VAL B 23 18.413 -0.043 22.874 1.00 0.00 C ATOM 711 O VAL B 23 19.483 0.123 23.461 1.00 0.00 O ATOM 712 CB VAL B 23 18.154 1.261 20.730 1.00 0.00 C ATOM 713 CG1 VAL B 23 18.394 1.199 19.207 1.00 0.00 C ATOM 714 CG2 VAL B 23 16.726 1.756 21.015 1.00 0.00 C ATOM 0 H VAL B 23 16.575 -0.635 20.381 1.00 0.00 H new ATOM 0 HA VAL B 23 19.331 -0.509 21.011 1.00 0.00 H new ATOM 0 HB VAL B 23 18.864 1.958 21.174 1.00 0.00 H new ATOM 0 HG11 VAL B 23 18.240 2.187 18.774 1.00 0.00 H new ATOM 0 HG12 VAL B 23 19.416 0.873 19.013 1.00 0.00 H new ATOM 0 HG13 VAL B 23 17.696 0.493 18.757 1.00 0.00 H new ATOM 0 HG21 VAL B 23 16.586 2.740 20.568 1.00 0.00 H new ATOM 0 HG22 VAL B 23 16.007 1.058 20.587 1.00 0.00 H new ATOM 0 HG23 VAL B 23 16.572 1.821 22.092 1.00 0.00 H new ATOM 724 N ILE B 24 17.266 -0.205 23.518 1.00 0.00 N ATOM 725 CA ILE B 24 17.244 -0.189 24.977 1.00 0.00 C ATOM 726 C ILE B 24 18.248 -1.236 25.479 1.00 0.00 C ATOM 727 O ILE B 24 18.721 -1.162 26.614 1.00 0.00 O ATOM 728 CB ILE B 24 15.802 -0.465 25.498 1.00 0.00 C ATOM 729 CG1 ILE B 24 15.102 0.855 25.907 1.00 0.00 C ATOM 730 CG2 ILE B 24 15.816 -1.398 26.719 1.00 0.00 C ATOM 731 CD1 ILE B 24 15.314 1.957 24.856 1.00 0.00 C ATOM 0 H ILE B 24 16.360 -0.346 23.070 1.00 0.00 H new ATOM 0 HA ILE B 24 17.533 0.791 25.358 1.00 0.00 H new ATOM 0 HB ILE B 24 15.258 -0.941 24.682 1.00 0.00 H new ATOM 0 HG12 ILE B 24 14.035 0.676 26.037 1.00 0.00 H new ATOM 0 HG13 ILE B 24 15.489 1.190 26.869 1.00 0.00 H new ATOM 0 HG21 ILE B 24 14.794 -1.570 27.057 1.00 0.00 H new ATOM 0 HG22 ILE B 24 16.272 -2.349 26.445 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.391 -0.938 27.522 1.00 0.00 H new ATOM 0 HD11 ILE B 24 14.809 2.868 25.177 1.00 0.00 H new ATOM 0 HD12 ILE B 24 16.380 2.153 24.745 1.00 0.00 H new ATOM 0 HD13 ILE B 24 14.903 1.632 23.900 1.00 0.00 H new ATOM 743 N THR B 25 18.581 -2.198 24.613 1.00 0.00 N ATOM 744 CA THR B 25 19.544 -3.233 24.977 1.00 0.00 C ATOM 745 C THR B 25 20.960 -2.646 24.998 1.00 0.00 C ATOM 746 O THR B 25 21.738 -2.918 25.912 1.00 0.00 O ATOM 747 CB THR B 25 19.431 -4.442 24.011 1.00 0.00 C ATOM 748 OG1 THR B 25 19.579 -5.642 24.756 1.00 0.00 O ATOM 749 CG2 THR B 25 20.502 -4.403 22.906 1.00 0.00 C ATOM 0 H THR B 25 18.203 -2.279 23.669 1.00 0.00 H new ATOM 0 HA THR B 25 19.321 -3.598 25.979 1.00 0.00 H new ATOM 0 HB THR B 25 18.454 -4.397 23.530 1.00 0.00 H new ATOM 0 HG1 THR B 25 19.507 -6.412 24.154 1.00 0.00 H new ATOM 0 HG21 THR B 25 20.384 -5.269 22.254 1.00 0.00 H new ATOM 0 HG22 THR B 25 20.388 -3.490 22.321 1.00 0.00 H new ATOM 0 HG23 THR B 25 21.493 -4.423 23.359 1.00 0.00 H new ATOM 757 N LEU B 26 21.290 -1.844 23.983 1.00 0.00 N ATOM 758 CA LEU B 26 22.604 -1.216 23.861 1.00 0.00 C ATOM 759 C LEU B 26 22.898 -0.340 25.078 1.00 0.00 C ATOM 760 O LEU B 26 24.049 -0.156 25.468 1.00 0.00 O ATOM 761 CB LEU B 26 22.572 -0.402 22.545 1.00 0.00 C ATOM 762 CG LEU B 26 23.629 0.726 22.466 1.00 0.00 C ATOM 763 CD1 LEU B 26 23.282 1.905 23.407 1.00 0.00 C ATOM 764 CD2 LEU B 26 25.053 0.181 22.737 1.00 0.00 C ATOM 0 H LEU B 26 20.651 -1.613 23.222 1.00 0.00 H new ATOM 0 HA LEU B 26 23.406 -1.954 23.828 1.00 0.00 H new ATOM 0 HB2 LEU B 26 22.721 -1.083 21.707 1.00 0.00 H new ATOM 0 HB3 LEU B 26 21.581 0.036 22.427 1.00 0.00 H new ATOM 0 HG LEU B 26 23.614 1.115 21.448 1.00 0.00 H new ATOM 0 HD11 LEU B 26 24.048 2.676 23.322 1.00 0.00 H new ATOM 0 HD12 LEU B 26 22.315 2.322 23.126 1.00 0.00 H new ATOM 0 HD13 LEU B 26 23.238 1.548 24.436 1.00 0.00 H new ATOM 0 HD21 LEU B 26 25.773 0.997 22.674 1.00 0.00 H new ATOM 0 HD22 LEU B 26 25.090 -0.260 23.733 1.00 0.00 H new ATOM 0 HD23 LEU B 26 25.300 -0.578 21.995 1.00 0.00 H new ATOM 776 N VAL B 27 21.840 0.158 25.692 1.00 0.00 N ATOM 777 CA VAL B 27 21.973 0.983 26.891 1.00 0.00 C ATOM 778 C VAL B 27 22.547 0.148 28.040 1.00 0.00 C ATOM 779 O VAL B 27 23.444 0.580 28.764 1.00 0.00 O ATOM 780 CB VAL B 27 20.599 1.521 27.290 1.00 0.00 C ATOM 781 CG1 VAL B 27 20.721 2.379 28.549 1.00 0.00 C ATOM 782 CG2 VAL B 27 20.036 2.362 26.147 1.00 0.00 C ATOM 0 H VAL B 27 20.879 0.009 25.385 1.00 0.00 H new ATOM 0 HA VAL B 27 22.647 1.813 26.682 1.00 0.00 H new ATOM 0 HB VAL B 27 19.929 0.686 27.494 1.00 0.00 H new ATOM 0 HG11 VAL B 27 19.738 2.759 28.827 1.00 0.00 H new ATOM 0 HG12 VAL B 27 21.120 1.775 29.364 1.00 0.00 H new ATOM 0 HG13 VAL B 27 21.392 3.216 28.355 1.00 0.00 H new ATOM 0 HG21 VAL B 27 19.056 2.748 26.428 1.00 0.00 H new ATOM 0 HG22 VAL B 27 20.709 3.195 25.942 1.00 0.00 H new ATOM 0 HG23 VAL B 27 19.941 1.745 25.254 1.00 0.00 H new ATOM 792 N MET B 28 22.005 -1.054 28.183 1.00 0.00 N ATOM 793 CA MET B 28 22.433 -1.983 29.230 1.00 0.00 C ATOM 794 C MET B 28 23.811 -2.569 28.925 1.00 0.00 C ATOM 795 O MET B 28 24.561 -2.924 29.833 1.00 0.00 O ATOM 796 CB MET B 28 21.415 -3.112 29.382 1.00 0.00 C ATOM 797 CG MET B 28 20.121 -2.551 29.976 1.00 0.00 C ATOM 798 SD MET B 28 18.918 -3.886 30.188 1.00 0.00 S ATOM 799 CE MET B 28 19.444 -4.408 31.840 1.00 0.00 C ATOM 0 H MET B 28 21.262 -1.414 27.584 1.00 0.00 H new ATOM 0 HA MET B 28 22.498 -1.424 30.164 1.00 0.00 H new ATOM 0 HB2 MET B 28 21.215 -3.570 28.413 1.00 0.00 H new ATOM 0 HB3 MET B 28 21.816 -3.894 30.027 1.00 0.00 H new ATOM 0 HG2 MET B 28 20.326 -2.077 30.936 1.00 0.00 H new ATOM 0 HG3 MET B 28 19.713 -1.781 29.321 1.00 0.00 H new ATOM 0 HE1 MET B 28 18.823 -5.239 32.174 1.00 0.00 H new ATOM 0 HE2 MET B 28 20.487 -4.724 31.807 1.00 0.00 H new ATOM 0 HE3 MET B 28 19.339 -3.575 32.535 1.00 0.00 H new ATOM 809 N LEU B 29 24.128 -2.677 27.642 1.00 0.00 N ATOM 810 CA LEU B 29 25.413 -3.239 27.235 1.00 0.00 C ATOM 811 C LEU B 29 26.546 -2.240 27.451 1.00 0.00 C ATOM 812 O LEU B 29 27.713 -2.563 27.229 1.00 0.00 O ATOM 813 CB LEU B 29 25.375 -3.660 25.763 1.00 0.00 C ATOM 814 CG LEU B 29 24.404 -4.836 25.574 1.00 0.00 C ATOM 815 CD1 LEU B 29 24.263 -5.127 24.076 1.00 0.00 C ATOM 816 CD2 LEU B 29 24.932 -6.095 26.301 1.00 0.00 C ATOM 0 H LEU B 29 23.524 -2.388 26.873 1.00 0.00 H new ATOM 0 HA LEU B 29 25.599 -4.116 27.855 1.00 0.00 H new ATOM 0 HB2 LEU B 29 25.064 -2.818 25.144 1.00 0.00 H new ATOM 0 HB3 LEU B 29 26.374 -3.946 25.433 1.00 0.00 H new ATOM 0 HG LEU B 29 23.434 -4.573 25.997 1.00 0.00 H new ATOM 0 HD11 LEU B 29 23.576 -5.960 23.930 1.00 0.00 H new ATOM 0 HD12 LEU B 29 23.875 -4.244 23.569 1.00 0.00 H new ATOM 0 HD13 LEU B 29 25.238 -5.384 23.662 1.00 0.00 H new ATOM 0 HD21 LEU B 29 24.233 -6.918 26.157 1.00 0.00 H new ATOM 0 HD22 LEU B 29 25.905 -6.370 25.893 1.00 0.00 H new ATOM 0 HD23 LEU B 29 25.031 -5.885 27.366 1.00 0.00 H new ATOM 828 N LYS B 30 26.210 -1.033 27.895 1.00 0.00 N ATOM 829 CA LYS B 30 27.236 -0.024 28.140 1.00 0.00 C ATOM 830 C LYS B 30 28.100 -0.418 29.333 1.00 0.00 C ATOM 831 O LYS B 30 29.200 0.106 29.509 1.00 0.00 O ATOM 832 CB LYS B 30 26.607 1.343 28.422 1.00 0.00 C ATOM 833 CG LYS B 30 25.893 1.866 27.174 1.00 0.00 C ATOM 834 CD LYS B 30 25.601 3.363 27.341 1.00 0.00 C ATOM 835 CE LYS B 30 24.631 3.582 28.504 1.00 0.00 C ATOM 836 NZ LYS B 30 24.110 4.978 28.460 1.00 0.00 N ATOM 0 H LYS B 30 25.255 -0.733 28.090 1.00 0.00 H new ATOM 0 HA LYS B 30 27.851 0.040 27.242 1.00 0.00 H new ATOM 0 HB2 LYS B 30 25.899 1.262 29.247 1.00 0.00 H new ATOM 0 HB3 LYS B 30 27.378 2.049 28.731 1.00 0.00 H new ATOM 0 HG2 LYS B 30 26.512 1.702 26.292 1.00 0.00 H new ATOM 0 HG3 LYS B 30 24.964 1.319 27.018 1.00 0.00 H new ATOM 0 HD2 LYS B 30 26.529 3.904 27.524 1.00 0.00 H new ATOM 0 HD3 LYS B 30 25.175 3.763 26.421 1.00 0.00 H new ATOM 0 HE2 LYS B 30 23.806 2.872 28.442 1.00 0.00 H new ATOM 0 HE3 LYS B 30 25.137 3.401 29.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 23.157 5.006 28.876 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 24.742 5.602 29.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 24.066 5.301 27.472 1.00 0.00 H new ATOM 850 N LYS B 31 27.598 -1.339 30.156 1.00 0.00 N ATOM 851 CA LYS B 31 28.339 -1.789 31.339 1.00 0.00 C ATOM 852 C LYS B 31 29.116 -3.067 31.034 1.00 0.00 C ATOM 853 O LYS B 31 29.576 -3.755 31.945 1.00 0.00 O ATOM 854 CB LYS B 31 27.358 -2.038 32.496 1.00 0.00 C ATOM 855 CG LYS B 31 28.089 -1.953 33.842 1.00 0.00 C ATOM 856 CD LYS B 31 27.075 -2.074 34.980 1.00 0.00 C ATOM 857 CE LYS B 31 27.809 -2.062 36.322 1.00 0.00 C ATOM 858 NZ LYS B 31 28.504 -0.756 36.498 1.00 0.00 N ATOM 0 H LYS B 31 26.690 -1.786 30.029 1.00 0.00 H new ATOM 0 HA LYS B 31 29.050 -1.013 31.623 1.00 0.00 H new ATOM 0 HB2 LYS B 31 26.554 -1.303 32.464 1.00 0.00 H new ATOM 0 HB3 LYS B 31 26.897 -3.020 32.386 1.00 0.00 H new ATOM 0 HG2 LYS B 31 28.831 -2.748 33.916 1.00 0.00 H new ATOM 0 HG3 LYS B 31 28.626 -1.007 33.918 1.00 0.00 H new ATOM 0 HD2 LYS B 31 26.363 -1.250 34.936 1.00 0.00 H new ATOM 0 HD3 LYS B 31 26.503 -2.996 34.875 1.00 0.00 H new ATOM 0 HE2 LYS B 31 27.102 -2.222 37.136 1.00 0.00 H new ATOM 0 HE3 LYS B 31 28.531 -2.878 36.361 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 28.785 -0.643 37.493 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 29.351 -0.729 35.894 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 27.863 0.017 36.229 1.00 0.00 H new ATOM 872 N LYS B 32 29.263 -3.374 29.744 1.00 0.00 N ATOM 873 CA LYS B 32 29.986 -4.568 29.307 1.00 0.00 C ATOM 874 C LYS B 32 29.810 -5.728 30.288 1.00 0.00 C ATOM 875 O LYS B 32 28.893 -6.507 30.093 1.00 0.00 O ATOM 876 CB LYS B 32 31.476 -4.258 29.135 1.00 0.00 C ATOM 877 CG LYS B 32 32.063 -3.724 30.446 1.00 0.00 C ATOM 878 CD LYS B 32 33.581 -3.595 30.309 1.00 0.00 C ATOM 879 CE LYS B 32 34.162 -3.021 31.602 1.00 0.00 C ATOM 880 NZ LYS B 32 33.878 -3.950 32.733 1.00 0.00 N ATOM 0 H LYS B 32 28.889 -2.809 28.981 1.00 0.00 H new ATOM 0 HA LYS B 32 29.565 -4.869 28.348 1.00 0.00 H new ATOM 0 HB2 LYS B 32 32.009 -5.159 28.830 1.00 0.00 H new ATOM 0 HB3 LYS B 32 31.612 -3.523 28.342 1.00 0.00 H new ATOM 0 HG2 LYS B 32 31.625 -2.755 30.685 1.00 0.00 H new ATOM 0 HG3 LYS B 32 31.817 -4.397 31.268 1.00 0.00 H new ATOM 0 HD2 LYS B 32 34.022 -4.570 30.101 1.00 0.00 H new ATOM 0 HD3 LYS B 32 33.827 -2.947 29.468 1.00 0.00 H new ATOM 0 HE2 LYS B 32 35.237 -2.877 31.497 1.00 0.00 H new ATOM 0 HE3 LYS B 32 33.728 -2.042 31.804 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 34.523 -3.744 33.522 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 32.895 -3.823 33.048 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 34.017 -4.932 32.419 1.00 0.00 H new TER 894 LYS B 32