USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 544 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 14 MET CE :methyl 172:sc= 0 (180deg=-0.101) USER MOD Set 1.2: B 4 LYS NZ :NH3+ -122:sc= 1.02 (180deg=-0.181) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0472 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.0323 X(o=-0.032,f=0.35) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0784 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 87:sc= 0.714 USER MOD Single : A 26 MET CE :methyl -179:sc= -2.8! (180deg=-2.88!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 54:sc= 1.06 USER MOD Single : B 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot -101:sc=-0.00508 USER MOD Single : B 6 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.9) USER MOD Single : B 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0.0768 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 26 MET CE :methyl 176:sc= -0.794 (180deg=-0.88) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 44:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.937 -1.892 -13.915 1.00 0.00 N ATOM 2 CA SER A 1 3.521 -2.216 -13.924 1.00 0.00 C ATOM 3 C SER A 1 2.893 -1.860 -12.575 1.00 0.00 C ATOM 4 O SER A 1 2.548 -2.745 -11.794 1.00 0.00 O ATOM 5 CB SER A 1 3.296 -3.696 -14.240 1.00 0.00 C ATOM 6 OG SER A 1 3.541 -3.992 -15.612 1.00 0.00 O ATOM 0 H1 SER A 1 5.355 -2.137 -14.835 1.00 0.00 H new ATOM 0 H2 SER A 1 5.059 -0.874 -13.739 1.00 0.00 H new ATOM 0 H3 SER A 1 5.412 -2.432 -13.164 1.00 0.00 H new ATOM 0 HA SER A 1 3.042 -1.628 -14.707 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.951 -4.304 -13.615 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.271 -3.969 -13.988 1.00 0.00 H new ATOM 0 HG SER A 1 3.388 -4.947 -15.773 1.00 0.00 H new ATOM 12 N ILE A 2 2.764 -0.562 -12.343 1.00 0.00 N ATOM 13 CA ILE A 2 2.174 -0.078 -11.106 1.00 0.00 C ATOM 14 C ILE A 2 0.751 0.412 -11.383 1.00 0.00 C ATOM 15 O ILE A 2 0.438 1.580 -11.156 1.00 0.00 O ATOM 16 CB ILE A 2 3.073 0.977 -10.460 1.00 0.00 C ATOM 17 CG1 ILE A 2 4.540 0.541 -10.491 1.00 0.00 C ATOM 18 CG2 ILE A 2 2.603 1.305 -9.042 1.00 0.00 C ATOM 19 CD1 ILE A 2 5.429 1.556 -9.769 1.00 0.00 C ATOM 0 H ILE A 2 3.058 0.169 -12.990 1.00 0.00 H new ATOM 0 HA ILE A 2 2.098 -0.886 -10.378 1.00 0.00 H new ATOM 0 HB ILE A 2 2.997 1.894 -11.044 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.642 -0.437 -10.021 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.870 0.434 -11.524 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.260 2.058 -8.606 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.583 1.689 -9.076 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.630 0.402 -8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.466 1.222 -9.806 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.343 2.527 -10.257 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.112 1.643 -8.730 1.00 0.00 H new ATOM 31 N THR A 3 -0.073 -0.505 -11.868 1.00 0.00 N ATOM 32 CA THR A 3 -1.456 -0.182 -12.174 1.00 0.00 C ATOM 33 C THR A 3 -2.313 -0.257 -10.909 1.00 0.00 C ATOM 34 O THR A 3 -1.937 -0.911 -9.938 1.00 0.00 O ATOM 35 CB THR A 3 -1.927 -1.124 -13.284 1.00 0.00 C ATOM 36 OG1 THR A 3 -1.609 -2.424 -12.795 1.00 0.00 O ATOM 37 CG2 THR A 3 -1.091 -0.991 -14.559 1.00 0.00 C ATOM 0 H THR A 3 0.191 -1.472 -12.057 1.00 0.00 H new ATOM 0 HA THR A 3 -1.553 0.842 -12.534 1.00 0.00 H new ATOM 0 HB THR A 3 -2.973 -0.920 -13.513 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.883 -3.097 -13.453 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.467 -1.681 -15.314 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.159 0.030 -14.934 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.050 -1.227 -14.338 1.00 0.00 H new ATOM 45 N LYS A 4 -3.450 0.422 -10.962 1.00 0.00 N ATOM 46 CA LYS A 4 -4.363 0.442 -9.832 1.00 0.00 C ATOM 47 C LYS A 4 -4.728 -0.994 -9.452 1.00 0.00 C ATOM 48 O LYS A 4 -4.747 -1.342 -8.272 1.00 0.00 O ATOM 49 CB LYS A 4 -5.575 1.324 -10.138 1.00 0.00 C ATOM 50 CG LYS A 4 -5.303 2.781 -9.759 1.00 0.00 C ATOM 51 CD LYS A 4 -4.946 3.611 -10.993 1.00 0.00 C ATOM 52 CE LYS A 4 -6.141 4.445 -11.458 1.00 0.00 C ATOM 53 NZ LYS A 4 -6.371 4.258 -12.908 1.00 0.00 N ATOM 0 H LYS A 4 -3.759 0.962 -11.770 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.883 0.890 -8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.817 1.260 -11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.443 0.958 -9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.182 3.204 -9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.487 2.827 -9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.107 4.268 -10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.623 2.951 -11.798 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.033 4.155 -10.902 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.961 5.499 -11.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.186 4.831 -13.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.526 4.557 -13.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.564 3.255 -13.102 1.00 0.00 H new ATOM 67 N ASP A 5 -5.008 -1.790 -10.473 1.00 0.00 N ATOM 68 CA ASP A 5 -5.404 -3.172 -10.259 1.00 0.00 C ATOM 69 C ASP A 5 -4.282 -3.912 -9.529 1.00 0.00 C ATOM 70 O ASP A 5 -4.538 -4.665 -8.590 1.00 0.00 O ATOM 71 CB ASP A 5 -5.655 -3.885 -11.589 1.00 0.00 C ATOM 72 CG ASP A 5 -7.091 -3.798 -12.109 1.00 0.00 C ATOM 73 OD1 ASP A 5 -7.846 -2.971 -11.555 1.00 0.00 O ATOM 74 OD2 ASP A 5 -7.401 -4.562 -13.049 1.00 0.00 O ATOM 0 H ASP A 5 -4.969 -1.504 -11.451 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.322 -3.173 -9.671 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.986 -3.465 -12.341 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.388 -4.936 -11.476 1.00 0.00 H new ATOM 79 N GLN A 6 -3.062 -3.672 -9.987 1.00 0.00 N ATOM 80 CA GLN A 6 -1.903 -4.328 -9.407 1.00 0.00 C ATOM 81 C GLN A 6 -1.876 -4.117 -7.892 1.00 0.00 C ATOM 82 O GLN A 6 -1.364 -4.957 -7.154 1.00 0.00 O ATOM 83 CB GLN A 6 -0.609 -3.827 -10.054 1.00 0.00 C ATOM 84 CG GLN A 6 -0.163 -4.760 -11.181 1.00 0.00 C ATOM 85 CD GLN A 6 0.860 -5.781 -10.675 1.00 0.00 C ATOM 86 OE1 GLN A 6 2.061 -5.581 -10.744 1.00 0.00 O ATOM 87 NE2 GLN A 6 0.317 -6.882 -10.164 1.00 0.00 N ATOM 0 H GLN A 6 -2.851 -3.032 -10.753 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.979 -5.397 -9.603 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.760 -2.822 -10.448 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.176 -3.759 -9.301 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.029 -5.280 -11.592 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.272 -4.175 -11.992 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.697 -6.985 -10.137 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.915 -7.623 -9.799 1.00 0.00 H new ATOM 96 N ILE A 7 -2.434 -2.990 -7.474 1.00 0.00 N ATOM 97 CA ILE A 7 -2.448 -2.641 -6.064 1.00 0.00 C ATOM 98 C ILE A 7 -3.541 -3.443 -5.355 1.00 0.00 C ATOM 99 O ILE A 7 -3.382 -3.828 -4.198 1.00 0.00 O ATOM 100 CB ILE A 7 -2.585 -1.127 -5.888 1.00 0.00 C ATOM 101 CG1 ILE A 7 -1.468 -0.386 -6.627 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.640 -0.750 -4.406 1.00 0.00 C ATOM 103 CD1 ILE A 7 -0.101 -0.716 -6.025 1.00 0.00 C ATOM 0 H ILE A 7 -2.879 -2.307 -8.087 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.501 -2.909 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.529 -0.815 -6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.481 -0.660 -7.682 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.643 0.689 -6.575 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.737 0.331 -4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.497 -1.235 -3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.725 -1.077 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.675 -0.177 -6.568 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.084 -0.419 -4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.081 -1.788 -6.101 1.00 0.00 H new ATOM 115 N ILE A 8 -4.626 -3.672 -6.080 1.00 0.00 N ATOM 116 CA ILE A 8 -5.744 -4.426 -5.536 1.00 0.00 C ATOM 117 C ILE A 8 -5.254 -5.804 -5.088 1.00 0.00 C ATOM 118 O ILE A 8 -5.568 -6.250 -3.986 1.00 0.00 O ATOM 119 CB ILE A 8 -6.895 -4.479 -6.543 1.00 0.00 C ATOM 120 CG1 ILE A 8 -7.357 -3.070 -6.922 1.00 0.00 C ATOM 121 CG2 ILE A 8 -8.046 -5.337 -6.015 1.00 0.00 C ATOM 122 CD1 ILE A 8 -8.532 -3.124 -7.900 1.00 0.00 C ATOM 0 H ILE A 8 -4.755 -3.349 -7.039 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.146 -3.928 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.531 -4.954 -7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.651 -2.526 -6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.530 -2.521 -7.371 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.851 -5.358 -6.750 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.691 -6.352 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.417 -4.913 -5.082 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.841 -2.110 -8.153 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.227 -3.648 -8.806 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.366 -3.653 -7.438 1.00 0.00 H new ATOM 134 N GLU A 9 -4.494 -6.441 -5.967 1.00 0.00 N ATOM 135 CA GLU A 9 -3.989 -7.775 -5.692 1.00 0.00 C ATOM 136 C GLU A 9 -3.017 -7.743 -4.510 1.00 0.00 C ATOM 137 O GLU A 9 -2.724 -8.778 -3.915 1.00 0.00 O ATOM 138 CB GLU A 9 -3.325 -8.377 -6.931 1.00 0.00 C ATOM 139 CG GLU A 9 -4.352 -8.622 -8.039 1.00 0.00 C ATOM 140 CD GLU A 9 -4.658 -10.115 -8.182 1.00 0.00 C ATOM 141 OE1 GLU A 9 -5.544 -10.586 -7.436 1.00 0.00 O ATOM 142 OE2 GLU A 9 -4.000 -10.750 -9.034 1.00 0.00 O ATOM 0 H GLU A 9 -4.216 -6.058 -6.870 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.832 -8.413 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.547 -7.705 -7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.838 -9.316 -6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.270 -8.079 -7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.973 -8.233 -8.984 1.00 0.00 H new ATOM 149 N ALA A 10 -2.545 -6.542 -4.207 1.00 0.00 N ATOM 150 CA ALA A 10 -1.605 -6.363 -3.114 1.00 0.00 C ATOM 151 C ALA A 10 -2.355 -6.447 -1.783 1.00 0.00 C ATOM 152 O ALA A 10 -1.868 -7.053 -0.829 1.00 0.00 O ATOM 153 CB ALA A 10 -0.870 -5.032 -3.286 1.00 0.00 C ATOM 0 H ALA A 10 -2.796 -5.685 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.854 -7.153 -3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.165 -4.897 -2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.330 -5.034 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.591 -4.215 -3.282 1.00 0.00 H new ATOM 159 N VAL A 11 -3.527 -5.830 -1.760 1.00 0.00 N ATOM 160 CA VAL A 11 -4.351 -5.833 -0.563 1.00 0.00 C ATOM 161 C VAL A 11 -4.890 -7.244 -0.324 1.00 0.00 C ATOM 162 O VAL A 11 -5.146 -7.630 0.816 1.00 0.00 O ATOM 163 CB VAL A 11 -5.457 -4.783 -0.687 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.561 -5.026 0.344 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.888 -3.369 -0.559 1.00 0.00 C ATOM 0 H VAL A 11 -3.926 -5.325 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.758 -5.560 0.310 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.899 -4.877 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.335 -4.266 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.996 -6.013 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.140 -4.973 1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.695 -2.642 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.407 -3.257 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.155 -3.199 -1.348 1.00 0.00 H new ATOM 175 N ALA A 12 -5.047 -7.977 -1.417 1.00 0.00 N ATOM 176 CA ALA A 12 -5.572 -9.330 -1.342 1.00 0.00 C ATOM 177 C ALA A 12 -4.416 -10.308 -1.123 1.00 0.00 C ATOM 178 O ALA A 12 -4.595 -11.520 -1.235 1.00 0.00 O ATOM 179 CB ALA A 12 -6.366 -9.641 -2.613 1.00 0.00 C ATOM 0 H ALA A 12 -4.820 -7.659 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.255 -9.431 -0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.760 -10.656 -2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.192 -8.936 -2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.713 -9.553 -3.481 1.00 0.00 H new ATOM 185 N ALA A 13 -3.257 -9.746 -0.814 1.00 0.00 N ATOM 186 CA ALA A 13 -2.067 -10.552 -0.600 1.00 0.00 C ATOM 187 C ALA A 13 -1.805 -10.676 0.902 1.00 0.00 C ATOM 188 O ALA A 13 -1.256 -11.677 1.360 1.00 0.00 O ATOM 189 CB ALA A 13 -0.887 -9.931 -1.349 1.00 0.00 C ATOM 0 H ALA A 13 -3.116 -8.741 -0.707 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.209 -11.558 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.005 -10.536 -1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.112 -9.893 -2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.712 -8.921 -0.979 1.00 0.00 H new ATOM 195 N MET A 14 -2.209 -9.644 1.628 1.00 0.00 N ATOM 196 CA MET A 14 -2.013 -9.619 3.068 1.00 0.00 C ATOM 197 C MET A 14 -3.319 -9.924 3.804 1.00 0.00 C ATOM 198 O MET A 14 -4.381 -9.999 3.187 1.00 0.00 O ATOM 199 CB MET A 14 -1.499 -8.241 3.490 1.00 0.00 C ATOM 200 CG MET A 14 -0.145 -7.940 2.843 1.00 0.00 C ATOM 201 SD MET A 14 -0.319 -6.624 1.648 1.00 0.00 S ATOM 202 CE MET A 14 -0.300 -5.211 2.739 1.00 0.00 C ATOM 0 H MET A 14 -2.671 -8.819 1.246 1.00 0.00 H new ATOM 0 HA MET A 14 -1.283 -10.385 3.330 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.221 -7.476 3.204 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.405 -8.200 4.575 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.578 -7.655 3.608 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.242 -8.835 2.357 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.256 -4.296 2.148 1.00 0.00 H new ATOM 0 HE2 MET A 14 -1.205 -5.208 3.346 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.573 -5.265 3.389 1.00 0.00 H new ATOM 212 N SER A 15 -3.199 -10.090 5.113 1.00 0.00 N ATOM 213 CA SER A 15 -4.355 -10.397 5.938 1.00 0.00 C ATOM 214 C SER A 15 -5.190 -9.135 6.160 1.00 0.00 C ATOM 215 O SER A 15 -4.704 -8.022 5.962 1.00 0.00 O ATOM 216 CB SER A 15 -3.930 -10.995 7.281 1.00 0.00 C ATOM 217 OG SER A 15 -2.612 -10.597 7.650 1.00 0.00 O ATOM 0 H SER A 15 -2.319 -10.018 5.623 1.00 0.00 H new ATOM 0 HA SER A 15 -4.960 -11.138 5.416 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.632 -10.684 8.055 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.978 -12.083 7.225 1.00 0.00 H new ATOM 0 HG SER A 15 -2.379 -10.998 8.513 1.00 0.00 H new ATOM 223 N VAL A 16 -6.432 -9.349 6.568 1.00 0.00 N ATOM 224 CA VAL A 16 -7.350 -8.244 6.785 1.00 0.00 C ATOM 225 C VAL A 16 -6.737 -7.269 7.793 1.00 0.00 C ATOM 226 O VAL A 16 -6.759 -6.057 7.582 1.00 0.00 O ATOM 227 CB VAL A 16 -8.715 -8.776 7.224 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.652 -7.630 7.611 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.339 -9.650 6.134 1.00 0.00 C ATOM 0 H VAL A 16 -6.824 -10.272 6.754 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.513 -7.695 5.858 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.564 -9.398 8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.615 -8.036 7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.216 -7.066 8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.793 -6.971 6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.309 -10.016 6.472 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.469 -9.061 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.684 -10.497 5.927 1.00 0.00 H new ATOM 239 N MET A 17 -6.203 -7.834 8.866 1.00 0.00 N ATOM 240 CA MET A 17 -5.616 -7.028 9.922 1.00 0.00 C ATOM 241 C MET A 17 -4.520 -6.115 9.370 1.00 0.00 C ATOM 242 O MET A 17 -4.468 -4.931 9.700 1.00 0.00 O ATOM 243 CB MET A 17 -5.025 -7.944 10.995 1.00 0.00 C ATOM 244 CG MET A 17 -6.048 -8.231 12.096 1.00 0.00 C ATOM 245 SD MET A 17 -6.952 -9.722 11.716 1.00 0.00 S ATOM 246 CE MET A 17 -8.415 -9.458 12.704 1.00 0.00 C ATOM 0 H MET A 17 -6.165 -8.841 9.026 1.00 0.00 H new ATOM 0 HA MET A 17 -6.398 -6.404 10.355 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.702 -8.881 10.541 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.140 -7.478 11.429 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.542 -8.337 13.055 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.737 -7.392 12.191 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.093 -10.303 12.583 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.134 -9.366 13.753 1.00 0.00 H new ATOM 0 HE3 MET A 17 -8.913 -8.544 12.380 1.00 0.00 H new ATOM 256 N ASP A 18 -3.669 -6.700 8.539 1.00 0.00 N ATOM 257 CA ASP A 18 -2.564 -5.959 7.955 1.00 0.00 C ATOM 258 C ASP A 18 -3.117 -4.814 7.104 1.00 0.00 C ATOM 259 O ASP A 18 -2.454 -3.794 6.924 1.00 0.00 O ATOM 260 CB ASP A 18 -1.718 -6.856 7.049 1.00 0.00 C ATOM 261 CG ASP A 18 -0.462 -6.196 6.478 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.618 -5.126 5.850 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.627 -6.776 6.681 1.00 0.00 O ATOM 0 H ASP A 18 -3.723 -7.679 8.257 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.944 -5.580 8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.421 -7.740 7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.338 -7.199 6.221 1.00 0.00 H new ATOM 268 N VAL A 19 -4.326 -5.021 6.603 1.00 0.00 N ATOM 269 CA VAL A 19 -4.950 -4.046 5.726 1.00 0.00 C ATOM 270 C VAL A 19 -5.602 -2.949 6.571 1.00 0.00 C ATOM 271 O VAL A 19 -5.731 -1.810 6.125 1.00 0.00 O ATOM 272 CB VAL A 19 -5.937 -4.742 4.787 1.00 0.00 C ATOM 273 CG1 VAL A 19 -6.562 -3.744 3.810 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.263 -5.893 4.038 1.00 0.00 C ATOM 0 H VAL A 19 -4.890 -5.850 6.788 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.202 -3.568 5.094 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.738 -5.162 5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.259 -4.265 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.095 -2.974 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.778 -3.281 3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.987 -6.371 3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.433 -5.506 3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.889 -6.624 4.755 1.00 0.00 H new ATOM 284 N VAL A 20 -5.995 -3.331 7.778 1.00 0.00 N ATOM 285 CA VAL A 20 -6.619 -2.392 8.694 1.00 0.00 C ATOM 286 C VAL A 20 -5.591 -1.341 9.118 1.00 0.00 C ATOM 287 O VAL A 20 -5.919 -0.162 9.242 1.00 0.00 O ATOM 288 CB VAL A 20 -7.229 -3.143 9.879 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.567 -2.184 11.021 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.463 -3.939 9.447 1.00 0.00 C ATOM 0 H VAL A 20 -5.893 -4.278 8.142 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.438 -1.867 8.203 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.485 -3.851 10.246 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.999 -2.744 11.850 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.659 -1.682 11.356 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.284 -1.441 10.672 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.877 -4.464 10.308 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.212 -3.258 9.042 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.180 -4.663 8.683 1.00 0.00 H new ATOM 300 N GLU A 21 -4.369 -1.805 9.328 1.00 0.00 N ATOM 301 CA GLU A 21 -3.284 -0.915 9.706 1.00 0.00 C ATOM 302 C GLU A 21 -2.949 0.033 8.553 1.00 0.00 C ATOM 303 O GLU A 21 -2.814 1.239 8.756 1.00 0.00 O ATOM 304 CB GLU A 21 -2.050 -1.708 10.140 1.00 0.00 C ATOM 305 CG GLU A 21 -2.096 -2.017 11.638 1.00 0.00 C ATOM 306 CD GLU A 21 -1.888 -0.747 12.466 1.00 0.00 C ATOM 307 OE1 GLU A 21 -0.715 -0.330 12.582 1.00 0.00 O ATOM 308 OE2 GLU A 21 -2.907 -0.221 12.964 1.00 0.00 O ATOM 0 H GLU A 21 -4.105 -2.787 9.244 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.610 -0.318 10.558 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.994 -2.638 9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.149 -1.140 9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.056 -2.467 11.891 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.326 -2.748 11.886 1.00 0.00 H new ATOM 315 N LEU A 22 -2.824 -0.547 7.369 1.00 0.00 N ATOM 316 CA LEU A 22 -2.545 0.236 6.177 1.00 0.00 C ATOM 317 C LEU A 22 -3.586 1.349 6.049 1.00 0.00 C ATOM 318 O LEU A 22 -3.242 2.530 6.064 1.00 0.00 O ATOM 319 CB LEU A 22 -2.461 -0.671 4.948 1.00 0.00 C ATOM 320 CG LEU A 22 -1.926 -0.021 3.670 1.00 0.00 C ATOM 321 CD1 LEU A 22 -0.459 -0.390 3.440 1.00 0.00 C ATOM 322 CD2 LEU A 22 -2.802 -0.375 2.467 1.00 0.00 C ATOM 0 H LEU A 22 -2.911 -1.551 7.209 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.570 0.717 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.826 -1.523 5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.457 -1.064 4.743 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.970 1.061 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.103 0.085 2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.139 -0.046 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.366 -1.472 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.400 0.100 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.813 -1.456 2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.818 -0.021 2.640 1.00 0.00 H new ATOM 334 N ILE A 23 -4.839 0.934 5.926 1.00 0.00 N ATOM 335 CA ILE A 23 -5.924 1.879 5.729 1.00 0.00 C ATOM 336 C ILE A 23 -5.927 2.893 6.875 1.00 0.00 C ATOM 337 O ILE A 23 -6.183 4.077 6.661 1.00 0.00 O ATOM 338 CB ILE A 23 -7.253 1.141 5.558 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.270 0.334 4.259 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.434 2.109 5.646 1.00 0.00 C ATOM 341 CD1 ILE A 23 -8.458 -0.630 4.226 1.00 0.00 C ATOM 0 H ILE A 23 -5.126 -0.044 5.959 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.776 2.441 4.807 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.356 0.432 6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.323 1.012 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.340 -0.226 4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.366 1.558 5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.430 2.600 6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.348 2.860 4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.446 -1.191 3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.389 -1.322 5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.387 -0.065 4.298 1.00 0.00 H new ATOM 353 N SER A 24 -5.639 2.391 8.067 1.00 0.00 N ATOM 354 CA SER A 24 -5.639 3.231 9.252 1.00 0.00 C ATOM 355 C SER A 24 -4.613 4.356 9.097 1.00 0.00 C ATOM 356 O SER A 24 -4.883 5.501 9.456 1.00 0.00 O ATOM 357 CB SER A 24 -5.340 2.411 10.509 1.00 0.00 C ATOM 358 OG SER A 24 -6.518 1.819 11.052 1.00 0.00 O ATOM 0 H SER A 24 -5.404 1.413 8.237 1.00 0.00 H new ATOM 0 HA SER A 24 -6.632 3.666 9.362 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.619 1.630 10.269 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.878 3.053 11.259 1.00 0.00 H new ATOM 0 HG SER A 24 -6.679 0.954 10.620 1.00 0.00 H new ATOM 364 N ALA A 25 -3.458 3.990 8.561 1.00 0.00 N ATOM 365 CA ALA A 25 -2.386 4.951 8.365 1.00 0.00 C ATOM 366 C ALA A 25 -2.878 6.079 7.457 1.00 0.00 C ATOM 367 O ALA A 25 -2.807 7.251 7.822 1.00 0.00 O ATOM 368 CB ALA A 25 -1.158 4.237 7.797 1.00 0.00 C ATOM 0 H ALA A 25 -3.241 3.041 8.256 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.092 5.398 9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.354 4.958 7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.831 3.466 8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.413 3.778 6.842 1.00 0.00 H new ATOM 374 N MET A 26 -3.365 5.685 6.289 1.00 0.00 N ATOM 375 CA MET A 26 -3.876 6.648 5.328 1.00 0.00 C ATOM 376 C MET A 26 -4.954 7.532 5.958 1.00 0.00 C ATOM 377 O MET A 26 -4.963 8.745 5.756 1.00 0.00 O ATOM 378 CB MET A 26 -4.462 5.907 4.125 1.00 0.00 C ATOM 379 CG MET A 26 -3.356 5.261 3.287 1.00 0.00 C ATOM 380 SD MET A 26 -4.060 4.481 1.844 1.00 0.00 S ATOM 381 CE MET A 26 -2.749 3.339 1.439 1.00 0.00 C ATOM 0 H MET A 26 -3.416 4.712 5.987 1.00 0.00 H new ATOM 0 HA MET A 26 -3.052 7.285 5.007 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.157 5.141 4.469 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.032 6.601 3.508 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.630 6.015 2.985 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.820 4.523 3.884 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.018 2.779 0.544 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.828 3.892 1.257 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.599 2.648 2.268 1.00 0.00 H new ATOM 391 N GLU A 27 -5.837 6.890 6.708 1.00 0.00 N ATOM 392 CA GLU A 27 -6.925 7.600 7.359 1.00 0.00 C ATOM 393 C GLU A 27 -6.388 8.821 8.108 1.00 0.00 C ATOM 394 O GLU A 27 -6.912 9.924 7.962 1.00 0.00 O ATOM 395 CB GLU A 27 -7.699 6.676 8.300 1.00 0.00 C ATOM 396 CG GLU A 27 -8.898 6.048 7.588 1.00 0.00 C ATOM 397 CD GLU A 27 -9.704 5.166 8.545 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.020 5.666 9.646 1.00 0.00 O ATOM 399 OE2 GLU A 27 -9.985 4.013 8.153 1.00 0.00 O ATOM 0 H GLU A 27 -5.821 5.885 6.880 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.618 7.944 6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.039 5.891 8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.041 7.239 9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.538 6.833 7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.553 5.453 6.743 1.00 0.00 H new ATOM 406 N GLU A 28 -5.348 8.583 8.895 1.00 0.00 N ATOM 407 CA GLU A 28 -4.763 9.639 9.702 1.00 0.00 C ATOM 408 C GLU A 28 -3.924 10.573 8.827 1.00 0.00 C ATOM 409 O GLU A 28 -4.065 11.793 8.901 1.00 0.00 O ATOM 410 CB GLU A 28 -3.925 9.058 10.843 1.00 0.00 C ATOM 411 CG GLU A 28 -3.214 10.166 11.621 1.00 0.00 C ATOM 412 CD GLU A 28 -3.158 9.838 13.115 1.00 0.00 C ATOM 413 OE1 GLU A 28 -4.230 9.504 13.663 1.00 0.00 O ATOM 414 OE2 GLU A 28 -2.043 9.929 13.674 1.00 0.00 O ATOM 0 H GLU A 28 -4.896 7.674 8.990 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.572 10.218 10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.566 8.490 11.517 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.189 8.362 10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.203 10.295 11.235 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.735 11.112 11.472 1.00 0.00 H new ATOM 421 N LYS A 29 -3.069 9.964 8.019 1.00 0.00 N ATOM 422 CA LYS A 29 -2.181 10.727 7.157 1.00 0.00 C ATOM 423 C LYS A 29 -3.003 11.732 6.347 1.00 0.00 C ATOM 424 O LYS A 29 -2.884 12.940 6.547 1.00 0.00 O ATOM 425 CB LYS A 29 -1.334 9.788 6.295 1.00 0.00 C ATOM 426 CG LYS A 29 -0.457 10.579 5.323 1.00 0.00 C ATOM 427 CD LYS A 29 1.026 10.289 5.562 1.00 0.00 C ATOM 428 CE LYS A 29 1.907 11.346 4.893 1.00 0.00 C ATOM 429 NZ LYS A 29 2.502 12.243 5.909 1.00 0.00 N ATOM 0 H LYS A 29 -2.972 8.952 7.943 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.472 11.301 7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.706 9.168 6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.985 9.114 5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.721 10.321 4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.646 11.646 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.228 10.267 6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.275 9.303 5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.697 10.860 4.321 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.314 11.928 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.097 12.954 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.744 12.720 6.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.084 11.685 6.566 1.00 0.00 H new ATOM 443 N PHE A 30 -3.817 11.196 5.450 1.00 0.00 N ATOM 444 CA PHE A 30 -4.633 12.032 4.586 1.00 0.00 C ATOM 445 C PHE A 30 -5.807 12.637 5.358 1.00 0.00 C ATOM 446 O PHE A 30 -6.591 13.403 4.801 1.00 0.00 O ATOM 447 CB PHE A 30 -5.178 11.130 3.476 1.00 0.00 C ATOM 448 CG PHE A 30 -4.103 10.585 2.533 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.689 11.328 1.472 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.562 9.358 2.756 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.691 10.823 0.597 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.564 8.852 1.881 1.00 0.00 C ATOM 453 CZ PHE A 30 -2.150 9.595 0.820 1.00 0.00 C ATOM 0 H PHE A 30 -3.929 10.193 5.303 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.035 12.851 4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.707 10.292 3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.909 11.690 2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.119 12.303 1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.891 8.768 3.599 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.362 11.414 -0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.134 7.877 2.058 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.392 9.210 0.154 1.00 0.00 H new ATOM 463 N GLY A 31 -5.891 12.269 6.628 1.00 0.00 N ATOM 464 CA GLY A 31 -6.938 12.790 7.491 1.00 0.00 C ATOM 465 C GLY A 31 -8.293 12.769 6.781 1.00 0.00 C ATOM 466 O GLY A 31 -8.994 13.779 6.745 1.00 0.00 O ATOM 0 H GLY A 31 -5.251 11.616 7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.992 12.196 8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.695 13.810 7.789 1.00 0.00 H new ATOM 470 N VAL A 32 -8.621 11.607 6.235 1.00 0.00 N ATOM 471 CA VAL A 32 -9.904 11.425 5.577 1.00 0.00 C ATOM 472 C VAL A 32 -10.622 10.223 6.194 1.00 0.00 C ATOM 473 O VAL A 32 -10.809 9.202 5.534 1.00 0.00 O ATOM 474 CB VAL A 32 -9.704 11.292 4.066 1.00 0.00 C ATOM 475 CG1 VAL A 32 -11.033 11.015 3.360 1.00 0.00 C ATOM 476 CG2 VAL A 32 -9.026 12.536 3.491 1.00 0.00 C ATOM 0 H VAL A 32 -8.021 10.782 6.235 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.539 12.297 5.731 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.047 10.441 3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.863 10.925 2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.460 10.086 3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.724 11.836 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.896 12.415 2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.646 13.411 3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.052 12.670 3.962 1.00 0.00 H new ATOM 486 N SER A 33 -11.005 10.384 7.452 1.00 0.00 N ATOM 487 CA SER A 33 -11.713 9.331 8.159 1.00 0.00 C ATOM 488 C SER A 33 -13.121 9.804 8.529 1.00 0.00 C ATOM 489 O SER A 33 -13.404 10.066 9.697 1.00 0.00 O ATOM 490 CB SER A 33 -10.951 8.901 9.414 1.00 0.00 C ATOM 491 OG SER A 33 -10.933 9.925 10.405 1.00 0.00 O ATOM 0 H SER A 33 -10.838 11.228 8.000 1.00 0.00 H new ATOM 0 HA SER A 33 -11.788 8.467 7.499 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.411 8.004 9.828 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.928 8.639 9.145 1.00 0.00 H new ATOM 0 HG SER A 33 -11.850 10.212 10.595 1.00 0.00 H new ATOM 497 N ALA A 34 -13.965 9.898 7.513 1.00 0.00 N ATOM 498 CA ALA A 34 -15.333 10.345 7.715 1.00 0.00 C ATOM 499 C ALA A 34 -16.270 9.524 6.827 1.00 0.00 C ATOM 500 O ALA A 34 -16.880 10.057 5.902 1.00 0.00 O ATOM 501 CB ALA A 34 -15.427 11.846 7.430 1.00 0.00 C ATOM 0 H ALA A 34 -13.728 9.672 6.547 1.00 0.00 H new ATOM 0 HA ALA A 34 -15.639 10.189 8.750 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -16.453 12.182 7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -14.765 12.387 8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -15.130 12.040 6.399 1.00 0.00 H new ATOM 507 N ALA A 35 -16.355 8.239 7.141 1.00 0.00 N ATOM 508 CA ALA A 35 -17.223 7.343 6.396 1.00 0.00 C ATOM 509 C ALA A 35 -17.398 6.041 7.180 1.00 0.00 C ATOM 510 O ALA A 35 -16.816 5.017 6.826 1.00 0.00 O ATOM 511 CB ALA A 35 -16.641 7.110 5.001 1.00 0.00 C ATOM 0 H ALA A 35 -15.837 7.798 7.901 1.00 0.00 H new ATOM 0 HA ALA A 35 -18.211 7.785 6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -17.292 6.438 4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -16.565 8.062 4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.650 6.664 5.090 1.00 0.00 H new ATOM 517 N ALA A 36 -18.201 6.123 8.230 1.00 0.00 N ATOM 518 CA ALA A 36 -18.460 4.963 9.067 1.00 0.00 C ATOM 519 C ALA A 36 -17.129 4.356 9.515 1.00 0.00 C ATOM 520 O ALA A 36 -16.846 3.193 9.229 1.00 0.00 O ATOM 521 CB ALA A 36 -19.328 3.963 8.300 1.00 0.00 C ATOM 0 H ALA A 36 -18.681 6.975 8.521 1.00 0.00 H new ATOM 0 HA ALA A 36 -19.010 5.251 9.963 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -19.522 3.093 8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -20.273 4.434 8.030 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -18.808 3.649 7.395 1.00 0.00 H new ATOM 527 N ALA A 37 -16.349 5.169 10.211 1.00 0.00 N ATOM 528 CA ALA A 37 -15.055 4.727 10.701 1.00 0.00 C ATOM 529 C ALA A 37 -15.250 3.533 11.639 1.00 0.00 C ATOM 530 O ALA A 37 -14.746 2.443 11.375 1.00 0.00 O ATOM 531 CB ALA A 37 -14.341 5.894 11.385 1.00 0.00 C ATOM 0 H ALA A 37 -16.588 6.132 10.447 1.00 0.00 H new ATOM 0 HA ALA A 37 -14.424 4.398 9.875 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.370 5.562 11.752 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.200 6.704 10.669 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -14.943 6.249 12.221 1.00 0.00 H new TER 537 ALA A 37 ATOM 538 N SER B 1 11.921 -3.178 -0.144 1.00 0.00 N ATOM 539 CA SER B 1 11.298 -2.523 0.994 1.00 0.00 C ATOM 540 C SER B 1 9.805 -2.323 0.729 1.00 0.00 C ATOM 541 O SER B 1 9.363 -1.208 0.455 1.00 0.00 O ATOM 542 CB SER B 1 11.969 -1.181 1.292 1.00 0.00 C ATOM 543 OG SER B 1 12.862 -1.265 2.399 1.00 0.00 O ATOM 0 H1 SER B 1 12.935 -3.310 0.044 1.00 0.00 H new ATOM 0 H2 SER B 1 11.474 -4.104 -0.299 1.00 0.00 H new ATOM 0 H3 SER B 1 11.800 -2.589 -0.993 1.00 0.00 H new ATOM 0 HA SER B 1 11.423 -3.163 1.868 1.00 0.00 H new ATOM 0 HB2 SER B 1 12.515 -0.845 0.410 1.00 0.00 H new ATOM 0 HB3 SER B 1 11.205 -0.432 1.499 1.00 0.00 H new ATOM 0 HG SER B 1 13.271 -0.389 2.556 1.00 0.00 H new ATOM 549 N ILE B 2 9.068 -3.420 0.821 1.00 0.00 N ATOM 550 CA ILE B 2 7.637 -3.384 0.569 1.00 0.00 C ATOM 551 C ILE B 2 6.890 -3.320 1.903 1.00 0.00 C ATOM 552 O ILE B 2 6.085 -4.198 2.211 1.00 0.00 O ATOM 553 CB ILE B 2 7.219 -4.561 -0.314 1.00 0.00 C ATOM 554 CG1 ILE B 2 8.199 -4.753 -1.473 1.00 0.00 C ATOM 555 CG2 ILE B 2 5.778 -4.395 -0.803 1.00 0.00 C ATOM 556 CD1 ILE B 2 7.810 -5.962 -2.326 1.00 0.00 C ATOM 0 H ILE B 2 9.435 -4.340 1.067 1.00 0.00 H new ATOM 0 HA ILE B 2 7.371 -2.486 0.011 1.00 0.00 H new ATOM 0 HB ILE B 2 7.252 -5.469 0.289 1.00 0.00 H new ATOM 0 HG12 ILE B 2 8.215 -3.856 -2.093 1.00 0.00 H new ATOM 0 HG13 ILE B 2 9.208 -4.889 -1.082 1.00 0.00 H new ATOM 0 HG21 ILE B 2 5.506 -5.245 -1.429 1.00 0.00 H new ATOM 0 HG22 ILE B 2 5.106 -4.345 0.054 1.00 0.00 H new ATOM 0 HG23 ILE B 2 5.694 -3.476 -1.383 1.00 0.00 H new ATOM 0 HD11 ILE B 2 8.523 -6.076 -3.143 1.00 0.00 H new ATOM 0 HD12 ILE B 2 7.819 -6.861 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE B 2 6.811 -5.812 -2.735 1.00 0.00 H new ATOM 568 N THR B 3 7.183 -2.272 2.659 1.00 0.00 N ATOM 569 CA THR B 3 6.547 -2.080 3.951 1.00 0.00 C ATOM 570 C THR B 3 5.228 -1.322 3.789 1.00 0.00 C ATOM 571 O THR B 3 5.024 -0.632 2.791 1.00 0.00 O ATOM 572 CB THR B 3 7.546 -1.373 4.870 1.00 0.00 C ATOM 573 OG1 THR B 3 7.984 -0.251 4.108 1.00 0.00 O ATOM 574 CG2 THR B 3 8.818 -2.193 5.093 1.00 0.00 C ATOM 0 H THR B 3 7.853 -1.547 2.401 1.00 0.00 H new ATOM 0 HA THR B 3 6.283 -3.034 4.407 1.00 0.00 H new ATOM 0 HB THR B 3 7.074 -1.168 5.831 1.00 0.00 H new ATOM 0 HG1 THR B 3 8.863 -0.442 3.720 1.00 0.00 H new ATOM 0 HG21 THR B 3 9.493 -1.646 5.752 1.00 0.00 H new ATOM 0 HG22 THR B 3 8.560 -3.148 5.550 1.00 0.00 H new ATOM 0 HG23 THR B 3 9.309 -2.370 4.136 1.00 0.00 H new ATOM 582 N LYS B 4 4.368 -1.475 4.784 1.00 0.00 N ATOM 583 CA LYS B 4 3.069 -0.823 4.759 1.00 0.00 C ATOM 584 C LYS B 4 3.263 0.682 4.569 1.00 0.00 C ATOM 585 O LYS B 4 2.582 1.302 3.753 1.00 0.00 O ATOM 586 CB LYS B 4 2.262 -1.187 6.007 1.00 0.00 C ATOM 587 CG LYS B 4 1.524 -2.514 5.815 1.00 0.00 C ATOM 588 CD LYS B 4 2.249 -3.654 6.533 1.00 0.00 C ATOM 589 CE LYS B 4 3.265 -4.327 5.608 1.00 0.00 C ATOM 590 NZ LYS B 4 2.906 -5.746 5.389 1.00 0.00 N ATOM 0 H LYS B 4 4.545 -2.041 5.614 1.00 0.00 H new ATOM 0 HA LYS B 4 2.480 -1.178 3.913 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.928 -1.258 6.867 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.544 -0.396 6.224 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.507 -2.427 6.197 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.446 -2.740 4.752 1.00 0.00 H new ATOM 0 HD2 LYS B 4 2.757 -3.267 7.417 1.00 0.00 H new ATOM 0 HD3 LYS B 4 1.523 -4.390 6.879 1.00 0.00 H new ATOM 0 HE2 LYS B 4 3.299 -3.803 4.653 1.00 0.00 H new ATOM 0 HE3 LYS B 4 4.262 -4.261 6.044 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 3.694 -6.354 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 2.057 -5.979 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.714 -5.904 4.379 1.00 0.00 H new ATOM 604 N ASP B 5 4.195 1.228 5.337 1.00 0.00 N ATOM 605 CA ASP B 5 4.459 2.656 5.293 1.00 0.00 C ATOM 606 C ASP B 5 4.868 3.051 3.872 1.00 0.00 C ATOM 607 O ASP B 5 4.414 4.069 3.352 1.00 0.00 O ATOM 608 CB ASP B 5 5.603 3.034 6.236 1.00 0.00 C ATOM 609 CG ASP B 5 5.173 3.412 7.654 1.00 0.00 C ATOM 610 OD1 ASP B 5 4.994 2.475 8.462 1.00 0.00 O ATOM 611 OD2 ASP B 5 5.033 4.630 7.899 1.00 0.00 O ATOM 0 H ASP B 5 4.777 0.707 5.993 1.00 0.00 H new ATOM 0 HA ASP B 5 3.552 3.176 5.600 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.298 2.196 6.294 1.00 0.00 H new ATOM 0 HB3 ASP B 5 6.149 3.872 5.803 1.00 0.00 H new ATOM 616 N GLN B 6 5.720 2.224 3.284 1.00 0.00 N ATOM 617 CA GLN B 6 6.225 2.495 1.949 1.00 0.00 C ATOM 618 C GLN B 6 5.065 2.637 0.961 1.00 0.00 C ATOM 619 O GLN B 6 5.186 3.329 -0.048 1.00 0.00 O ATOM 620 CB GLN B 6 7.198 1.403 1.499 1.00 0.00 C ATOM 621 CG GLN B 6 8.637 1.761 1.876 1.00 0.00 C ATOM 622 CD GLN B 6 9.247 2.724 0.855 1.00 0.00 C ATOM 623 OE1 GLN B 6 8.945 3.905 0.819 1.00 0.00 O ATOM 624 NE2 GLN B 6 10.121 2.155 0.030 1.00 0.00 N ATOM 0 H GLN B 6 6.073 1.366 3.708 1.00 0.00 H new ATOM 0 HA GLN B 6 6.773 3.437 1.973 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.923 0.454 1.959 1.00 0.00 H new ATOM 0 HB3 GLN B 6 7.124 1.267 0.420 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.655 2.216 2.866 1.00 0.00 H new ATOM 0 HG3 GLN B 6 9.239 0.854 1.931 1.00 0.00 H new ATOM 0 HE21 GLN B 6 10.329 1.160 0.114 1.00 0.00 H new ATOM 0 HE22 GLN B 6 10.584 2.714 -0.687 1.00 0.00 H new ATOM 633 N ILE B 7 3.967 1.971 1.287 1.00 0.00 N ATOM 634 CA ILE B 7 2.793 2.000 0.433 1.00 0.00 C ATOM 635 C ILE B 7 2.014 3.292 0.687 1.00 0.00 C ATOM 636 O ILE B 7 1.343 3.803 -0.208 1.00 0.00 O ATOM 637 CB ILE B 7 1.959 0.732 0.625 1.00 0.00 C ATOM 638 CG1 ILE B 7 2.747 -0.511 0.207 1.00 0.00 C ATOM 639 CG2 ILE B 7 0.622 0.838 -0.112 1.00 0.00 C ATOM 640 CD1 ILE B 7 2.350 -1.722 1.053 1.00 0.00 C ATOM 0 H ILE B 7 3.866 1.408 2.131 1.00 0.00 H new ATOM 0 HA ILE B 7 3.086 2.005 -0.617 1.00 0.00 H new ATOM 0 HB ILE B 7 1.734 0.629 1.687 1.00 0.00 H new ATOM 0 HG12 ILE B 7 2.566 -0.724 -0.847 1.00 0.00 H new ATOM 0 HG13 ILE B 7 3.815 -0.322 0.315 1.00 0.00 H new ATOM 0 HG21 ILE B 7 0.049 -0.076 0.041 1.00 0.00 H new ATOM 0 HG22 ILE B 7 0.060 1.688 0.275 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.804 0.978 -1.178 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.925 -2.592 0.735 1.00 0.00 H new ATOM 0 HD12 ILE B 7 2.555 -1.515 2.103 1.00 0.00 H new ATOM 0 HD13 ILE B 7 1.286 -1.923 0.924 1.00 0.00 H new ATOM 652 N ILE B 8 2.131 3.784 1.912 1.00 0.00 N ATOM 653 CA ILE B 8 1.428 4.995 2.303 1.00 0.00 C ATOM 654 C ILE B 8 1.879 6.152 1.409 1.00 0.00 C ATOM 655 O ILE B 8 1.051 6.883 0.869 1.00 0.00 O ATOM 656 CB ILE B 8 1.613 5.263 3.797 1.00 0.00 C ATOM 657 CG1 ILE B 8 1.026 4.126 4.636 1.00 0.00 C ATOM 658 CG2 ILE B 8 1.030 6.623 4.186 1.00 0.00 C ATOM 659 CD1 ILE B 8 -0.464 3.942 4.343 1.00 0.00 C ATOM 0 H ILE B 8 2.702 3.366 2.647 1.00 0.00 H new ATOM 0 HA ILE B 8 0.354 4.877 2.155 1.00 0.00 H new ATOM 0 HB ILE B 8 2.682 5.299 4.008 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.559 3.199 4.423 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.168 4.340 5.695 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.175 6.789 5.254 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.535 7.409 3.625 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -0.036 6.641 3.957 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.857 3.128 4.952 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -0.998 4.862 4.580 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.601 3.704 3.288 1.00 0.00 H new ATOM 671 N GLU B 9 3.191 6.281 1.281 1.00 0.00 N ATOM 672 CA GLU B 9 3.763 7.344 0.471 1.00 0.00 C ATOM 673 C GLU B 9 3.421 7.129 -1.005 1.00 0.00 C ATOM 674 O GLU B 9 3.516 8.055 -1.809 1.00 0.00 O ATOM 675 CB GLU B 9 5.276 7.435 0.675 1.00 0.00 C ATOM 676 CG GLU B 9 5.971 6.155 0.208 1.00 0.00 C ATOM 677 CD GLU B 9 7.455 6.406 -0.070 1.00 0.00 C ATOM 678 OE1 GLU B 9 8.199 6.565 0.921 1.00 0.00 O ATOM 679 OE2 GLU B 9 7.811 6.435 -1.268 1.00 0.00 O ATOM 0 H GLU B 9 3.875 5.667 1.724 1.00 0.00 H new ATOM 0 HA GLU B 9 3.329 8.291 0.791 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.670 8.289 0.124 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.495 7.608 1.729 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.866 5.382 0.969 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.486 5.782 -0.694 1.00 0.00 H new ATOM 686 N ALA B 10 3.030 5.902 -1.316 1.00 0.00 N ATOM 687 CA ALA B 10 2.698 5.547 -2.686 1.00 0.00 C ATOM 688 C ALA B 10 1.324 6.122 -3.038 1.00 0.00 C ATOM 689 O ALA B 10 1.097 6.546 -4.170 1.00 0.00 O ATOM 690 CB ALA B 10 2.752 4.027 -2.847 1.00 0.00 C ATOM 0 H ALA B 10 2.936 5.141 -0.643 1.00 0.00 H new ATOM 0 HA ALA B 10 3.422 5.974 -3.380 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.503 3.761 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.756 3.672 -2.613 1.00 0.00 H new ATOM 0 HB3 ALA B 10 2.036 3.564 -2.168 1.00 0.00 H new ATOM 696 N VAL B 11 0.444 6.117 -2.048 1.00 0.00 N ATOM 697 CA VAL B 11 -0.903 6.627 -2.241 1.00 0.00 C ATOM 698 C VAL B 11 -0.877 8.156 -2.190 1.00 0.00 C ATOM 699 O VAL B 11 -1.815 8.811 -2.641 1.00 0.00 O ATOM 700 CB VAL B 11 -1.848 6.010 -1.208 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.166 6.785 -1.140 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.098 4.531 -1.508 1.00 0.00 C ATOM 0 H VAL B 11 0.637 5.768 -1.109 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.283 6.341 -3.222 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.368 6.078 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.820 6.326 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.966 7.819 -0.858 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.652 6.763 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.773 4.117 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.547 4.431 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.152 3.990 -1.483 1.00 0.00 H new ATOM 712 N ALA B 12 0.207 8.680 -1.638 1.00 0.00 N ATOM 713 CA ALA B 12 0.372 10.120 -1.532 1.00 0.00 C ATOM 714 C ALA B 12 1.266 10.611 -2.672 1.00 0.00 C ATOM 715 O ALA B 12 1.644 11.781 -2.708 1.00 0.00 O ATOM 716 CB ALA B 12 0.938 10.469 -0.154 1.00 0.00 C ATOM 0 H ALA B 12 0.980 8.133 -1.259 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.589 10.625 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.062 11.549 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.251 10.124 0.619 1.00 0.00 H new ATOM 0 HB3 ALA B 12 1.905 9.982 -0.024 1.00 0.00 H new ATOM 722 N ALA B 13 1.579 9.693 -3.574 1.00 0.00 N ATOM 723 CA ALA B 13 2.441 10.013 -4.699 1.00 0.00 C ATOM 724 C ALA B 13 1.588 10.190 -5.956 1.00 0.00 C ATOM 725 O ALA B 13 1.974 10.908 -6.877 1.00 0.00 O ATOM 726 CB ALA B 13 3.497 8.917 -4.861 1.00 0.00 C ATOM 0 H ALA B 13 1.251 8.727 -3.549 1.00 0.00 H new ATOM 0 HA ALA B 13 2.968 10.951 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.144 9.157 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.095 8.851 -3.952 1.00 0.00 H new ATOM 0 HB3 ALA B 13 3.005 7.961 -5.041 1.00 0.00 H new ATOM 732 N MET B 14 0.443 9.522 -5.955 1.00 0.00 N ATOM 733 CA MET B 14 -0.464 9.589 -7.088 1.00 0.00 C ATOM 734 C MET B 14 -1.465 10.734 -6.922 1.00 0.00 C ATOM 735 O MET B 14 -1.552 11.338 -5.854 1.00 0.00 O ATOM 736 CB MET B 14 -1.220 8.265 -7.216 1.00 0.00 C ATOM 737 CG MET B 14 -0.248 7.086 -7.314 1.00 0.00 C ATOM 738 SD MET B 14 -0.886 5.861 -8.444 1.00 0.00 S ATOM 739 CE MET B 14 -1.359 4.587 -7.285 1.00 0.00 C ATOM 0 H MET B 14 0.123 8.932 -5.187 1.00 0.00 H new ATOM 0 HA MET B 14 0.123 9.771 -7.988 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.874 8.131 -6.355 1.00 0.00 H new ATOM 0 HB3 MET B 14 -1.857 8.290 -8.100 1.00 0.00 H new ATOM 0 HG2 MET B 14 0.727 7.435 -7.655 1.00 0.00 H new ATOM 0 HG3 MET B 14 -0.101 6.643 -6.329 1.00 0.00 H new ATOM 0 HE1 MET B 14 -1.780 3.740 -7.827 1.00 0.00 H new ATOM 0 HE2 MET B 14 -0.482 4.260 -6.726 1.00 0.00 H new ATOM 0 HE3 MET B 14 -2.103 4.982 -6.594 1.00 0.00 H new ATOM 749 N SER B 15 -2.195 10.999 -7.996 1.00 0.00 N ATOM 750 CA SER B 15 -3.166 12.081 -7.992 1.00 0.00 C ATOM 751 C SER B 15 -4.428 11.649 -7.243 1.00 0.00 C ATOM 752 O SER B 15 -4.664 10.457 -7.053 1.00 0.00 O ATOM 753 CB SER B 15 -3.516 12.511 -9.418 1.00 0.00 C ATOM 754 OG SER B 15 -3.298 11.465 -10.360 1.00 0.00 O ATOM 0 H SER B 15 -2.134 10.484 -8.874 1.00 0.00 H new ATOM 0 HA SER B 15 -2.723 12.936 -7.481 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.560 12.822 -9.457 1.00 0.00 H new ATOM 0 HB3 SER B 15 -2.915 13.378 -9.693 1.00 0.00 H new ATOM 0 HG SER B 15 -3.535 11.779 -11.258 1.00 0.00 H new ATOM 760 N VAL B 16 -5.206 12.642 -6.837 1.00 0.00 N ATOM 761 CA VAL B 16 -6.415 12.382 -6.076 1.00 0.00 C ATOM 762 C VAL B 16 -7.351 11.494 -6.900 1.00 0.00 C ATOM 763 O VAL B 16 -7.932 10.545 -6.377 1.00 0.00 O ATOM 764 CB VAL B 16 -7.062 13.703 -5.654 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.324 13.455 -4.825 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.068 14.580 -4.891 1.00 0.00 C ATOM 0 H VAL B 16 -5.022 13.628 -7.021 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.180 11.843 -5.158 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.355 14.237 -6.558 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.764 14.410 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.042 12.887 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.066 12.891 -3.929 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.553 15.513 -4.602 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -5.731 14.055 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.211 14.798 -5.529 1.00 0.00 H new ATOM 776 N MET B 17 -7.467 11.836 -8.175 1.00 0.00 N ATOM 777 CA MET B 17 -8.331 11.089 -9.073 1.00 0.00 C ATOM 778 C MET B 17 -7.894 9.625 -9.162 1.00 0.00 C ATOM 779 O MET B 17 -8.723 8.720 -9.071 1.00 0.00 O ATOM 780 CB MET B 17 -8.286 11.720 -10.466 1.00 0.00 C ATOM 781 CG MET B 17 -9.377 12.782 -10.622 1.00 0.00 C ATOM 782 SD MET B 17 -10.923 12.009 -11.065 1.00 0.00 S ATOM 783 CE MET B 17 -12.043 13.369 -10.777 1.00 0.00 C ATOM 0 H MET B 17 -6.977 12.620 -8.607 1.00 0.00 H new ATOM 0 HA MET B 17 -9.348 11.123 -8.681 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.308 12.171 -10.634 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.415 10.947 -11.224 1.00 0.00 H new ATOM 0 HG2 MET B 17 -9.492 13.336 -9.691 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.088 13.502 -11.388 1.00 0.00 H new ATOM 0 HE1 MET B 17 -13.062 13.056 -11.007 1.00 0.00 H new ATOM 0 HE2 MET B 17 -11.984 13.674 -9.732 1.00 0.00 H new ATOM 0 HE3 MET B 17 -11.768 14.208 -11.416 1.00 0.00 H new ATOM 793 N ASP B 18 -6.595 9.437 -9.339 1.00 0.00 N ATOM 794 CA ASP B 18 -6.040 8.099 -9.449 1.00 0.00 C ATOM 795 C ASP B 18 -6.363 7.311 -8.178 1.00 0.00 C ATOM 796 O ASP B 18 -6.549 6.096 -8.226 1.00 0.00 O ATOM 797 CB ASP B 18 -4.518 8.145 -9.602 1.00 0.00 C ATOM 798 CG ASP B 18 -3.835 6.778 -9.679 1.00 0.00 C ATOM 799 OD1 ASP B 18 -4.038 5.988 -8.732 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.124 6.554 -10.682 1.00 0.00 O ATOM 0 H ASP B 18 -5.910 10.190 -9.409 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.477 7.624 -10.327 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.275 8.707 -10.504 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.100 8.697 -8.760 1.00 0.00 H new ATOM 805 N VAL B 19 -6.420 8.035 -7.069 1.00 0.00 N ATOM 806 CA VAL B 19 -6.672 7.413 -5.781 1.00 0.00 C ATOM 807 C VAL B 19 -8.163 7.097 -5.654 1.00 0.00 C ATOM 808 O VAL B 19 -8.540 6.097 -5.046 1.00 0.00 O ATOM 809 CB VAL B 19 -6.153 8.311 -4.656 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.510 7.733 -3.285 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.644 8.530 -4.782 1.00 0.00 C ATOM 0 H VAL B 19 -6.296 9.047 -7.037 1.00 0.00 H new ATOM 0 HA VAL B 19 -6.133 6.469 -5.701 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.642 9.281 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.130 8.390 -2.503 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.593 7.651 -3.195 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.062 6.745 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.300 9.172 -3.971 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.131 7.570 -4.727 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.424 9.005 -5.738 1.00 0.00 H new ATOM 821 N VAL B 20 -8.972 7.970 -6.238 1.00 0.00 N ATOM 822 CA VAL B 20 -10.413 7.784 -6.218 1.00 0.00 C ATOM 823 C VAL B 20 -10.764 6.477 -6.932 1.00 0.00 C ATOM 824 O VAL B 20 -11.547 5.678 -6.420 1.00 0.00 O ATOM 825 CB VAL B 20 -11.106 9.003 -6.829 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.513 8.648 -7.315 1.00 0.00 C ATOM 827 CG2 VAL B 20 -11.146 10.166 -5.836 1.00 0.00 C ATOM 0 H VAL B 20 -8.657 8.807 -6.728 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.773 7.702 -5.193 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.523 9.321 -7.694 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.983 9.532 -7.745 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.450 7.866 -8.072 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.109 8.292 -6.475 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.644 11.020 -6.296 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.694 9.864 -4.943 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -10.129 10.444 -5.560 1.00 0.00 H new ATOM 837 N GLU B 21 -10.168 6.300 -8.102 1.00 0.00 N ATOM 838 CA GLU B 21 -10.400 5.098 -8.885 1.00 0.00 C ATOM 839 C GLU B 21 -9.954 3.861 -8.104 1.00 0.00 C ATOM 840 O GLU B 21 -10.664 2.857 -8.066 1.00 0.00 O ATOM 841 CB GLU B 21 -9.689 5.180 -10.237 1.00 0.00 C ATOM 842 CG GLU B 21 -10.582 5.841 -11.288 1.00 0.00 C ATOM 843 CD GLU B 21 -11.245 4.792 -12.183 1.00 0.00 C ATOM 844 OE1 GLU B 21 -12.279 4.243 -11.745 1.00 0.00 O ATOM 845 OE2 GLU B 21 -10.703 4.562 -13.286 1.00 0.00 O ATOM 0 H GLU B 21 -9.525 6.968 -8.527 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.469 5.014 -9.078 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.764 5.748 -10.132 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.412 4.179 -10.568 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.348 6.440 -10.795 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.989 6.522 -11.898 1.00 0.00 H new ATOM 852 N LEU B 22 -8.779 3.973 -7.501 1.00 0.00 N ATOM 853 CA LEU B 22 -8.232 2.877 -6.720 1.00 0.00 C ATOM 854 C LEU B 22 -9.235 2.479 -5.635 1.00 0.00 C ATOM 855 O LEU B 22 -9.762 1.367 -5.650 1.00 0.00 O ATOM 856 CB LEU B 22 -6.851 3.245 -6.174 1.00 0.00 C ATOM 857 CG LEU B 22 -6.070 2.112 -5.505 1.00 0.00 C ATOM 858 CD1 LEU B 22 -4.582 2.192 -5.852 1.00 0.00 C ATOM 859 CD2 LEU B 22 -6.306 2.103 -3.993 1.00 0.00 C ATOM 0 H LEU B 22 -8.191 4.806 -7.538 1.00 0.00 H new ATOM 0 HA LEU B 22 -8.078 2.001 -7.350 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.251 3.638 -6.995 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.971 4.052 -5.452 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.441 1.164 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.050 1.375 -5.364 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -4.455 2.113 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.179 3.144 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -5.740 1.288 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -5.979 3.052 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.368 1.962 -3.791 1.00 0.00 H new ATOM 871 N ILE B 23 -9.469 3.408 -4.721 1.00 0.00 N ATOM 872 CA ILE B 23 -10.377 3.157 -3.614 1.00 0.00 C ATOM 873 C ILE B 23 -11.667 2.533 -4.149 1.00 0.00 C ATOM 874 O ILE B 23 -12.173 1.565 -3.584 1.00 0.00 O ATOM 875 CB ILE B 23 -10.602 4.436 -2.805 1.00 0.00 C ATOM 876 CG1 ILE B 23 -9.316 4.872 -2.099 1.00 0.00 C ATOM 877 CG2 ILE B 23 -11.765 4.268 -1.825 1.00 0.00 C ATOM 878 CD1 ILE B 23 -8.933 3.882 -0.997 1.00 0.00 C ATOM 0 H ILE B 23 -9.046 4.336 -4.724 1.00 0.00 H new ATOM 0 HA ILE B 23 -9.940 2.440 -2.919 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.876 5.233 -3.496 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.506 4.946 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -9.451 5.865 -1.670 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -11.903 5.192 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -12.676 4.040 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -11.545 3.453 -1.135 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -8.016 4.215 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -9.735 3.829 -0.261 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -8.775 2.896 -1.433 1.00 0.00 H new ATOM 890 N SER B 24 -12.162 3.113 -5.232 1.00 0.00 N ATOM 891 CA SER B 24 -13.409 2.657 -5.822 1.00 0.00 C ATOM 892 C SER B 24 -13.265 1.209 -6.295 1.00 0.00 C ATOM 893 O SER B 24 -14.203 0.420 -6.185 1.00 0.00 O ATOM 894 CB SER B 24 -13.830 3.556 -6.986 1.00 0.00 C ATOM 895 OG SER B 24 -14.726 4.583 -6.571 1.00 0.00 O ATOM 0 H SER B 24 -11.722 3.895 -5.717 1.00 0.00 H new ATOM 0 HA SER B 24 -14.186 2.708 -5.060 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.945 4.007 -7.434 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.305 2.951 -7.758 1.00 0.00 H new ATOM 0 HG SER B 24 -14.970 5.136 -7.342 1.00 0.00 H new ATOM 901 N ALA B 25 -12.084 0.903 -6.811 1.00 0.00 N ATOM 902 CA ALA B 25 -11.806 -0.436 -7.303 1.00 0.00 C ATOM 903 C ALA B 25 -12.006 -1.443 -6.170 1.00 0.00 C ATOM 904 O ALA B 25 -12.919 -2.266 -6.219 1.00 0.00 O ATOM 905 CB ALA B 25 -10.391 -0.483 -7.883 1.00 0.00 C ATOM 0 H ALA B 25 -11.308 1.559 -6.899 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.496 -0.701 -8.104 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.182 -1.487 -8.252 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.310 0.229 -8.704 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.671 -0.225 -7.107 1.00 0.00 H new ATOM 911 N MET B 26 -11.137 -1.346 -5.174 1.00 0.00 N ATOM 912 CA MET B 26 -11.201 -2.244 -4.034 1.00 0.00 C ATOM 913 C MET B 26 -12.618 -2.303 -3.461 1.00 0.00 C ATOM 914 O MET B 26 -13.092 -3.371 -3.078 1.00 0.00 O ATOM 915 CB MET B 26 -10.231 -1.766 -2.952 1.00 0.00 C ATOM 916 CG MET B 26 -8.778 -1.953 -3.395 1.00 0.00 C ATOM 917 SD MET B 26 -7.683 -1.100 -2.273 1.00 0.00 S ATOM 918 CE MET B 26 -6.111 -1.474 -3.032 1.00 0.00 C ATOM 0 H MET B 26 -10.385 -0.659 -5.133 1.00 0.00 H new ATOM 0 HA MET B 26 -10.923 -3.244 -4.367 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.415 -0.714 -2.732 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.408 -2.320 -2.030 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.531 -3.014 -3.421 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.646 -1.570 -4.407 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.316 -0.956 -2.496 1.00 0.00 H new ATOM 0 HE2 MET B 26 -5.935 -2.549 -2.993 1.00 0.00 H new ATOM 0 HE3 MET B 26 -6.122 -1.146 -4.071 1.00 0.00 H new ATOM 928 N GLU B 27 -13.254 -1.141 -3.420 1.00 0.00 N ATOM 929 CA GLU B 27 -14.601 -1.044 -2.884 1.00 0.00 C ATOM 930 C GLU B 27 -15.504 -2.100 -3.524 1.00 0.00 C ATOM 931 O GLU B 27 -16.263 -2.776 -2.831 1.00 0.00 O ATOM 932 CB GLU B 27 -15.172 0.361 -3.087 1.00 0.00 C ATOM 933 CG GLU B 27 -14.896 1.246 -1.869 1.00 0.00 C ATOM 934 CD GLU B 27 -16.161 1.435 -1.031 1.00 0.00 C ATOM 935 OE1 GLU B 27 -16.410 0.559 -0.174 1.00 0.00 O ATOM 936 OE2 GLU B 27 -16.851 2.450 -1.266 1.00 0.00 O ATOM 0 H GLU B 27 -12.861 -0.259 -3.749 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.559 -1.232 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.731 0.812 -3.976 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.246 0.299 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -14.114 0.796 -1.257 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -14.524 2.217 -2.197 1.00 0.00 H new ATOM 943 N GLU B 28 -15.392 -2.210 -4.839 1.00 0.00 N ATOM 944 CA GLU B 28 -16.214 -3.148 -5.585 1.00 0.00 C ATOM 945 C GLU B 28 -15.636 -4.561 -5.480 1.00 0.00 C ATOM 946 O GLU B 28 -16.361 -5.512 -5.192 1.00 0.00 O ATOM 947 CB GLU B 28 -16.349 -2.717 -7.047 1.00 0.00 C ATOM 948 CG GLU B 28 -17.159 -3.739 -7.847 1.00 0.00 C ATOM 949 CD GLU B 28 -18.157 -3.043 -8.775 1.00 0.00 C ATOM 950 OE1 GLU B 28 -18.709 -2.009 -8.340 1.00 0.00 O ATOM 951 OE2 GLU B 28 -18.344 -3.559 -9.897 1.00 0.00 O ATOM 0 H GLU B 28 -14.744 -1.665 -5.408 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.213 -3.152 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.834 -1.742 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.359 -2.605 -7.490 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -16.485 -4.363 -8.434 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -17.692 -4.400 -7.164 1.00 0.00 H new ATOM 958 N LYS B 29 -14.337 -4.653 -5.721 1.00 0.00 N ATOM 959 CA LYS B 29 -13.659 -5.938 -5.686 1.00 0.00 C ATOM 960 C LYS B 29 -13.989 -6.649 -4.372 1.00 0.00 C ATOM 961 O LYS B 29 -14.662 -7.678 -4.371 1.00 0.00 O ATOM 962 CB LYS B 29 -12.159 -5.759 -5.929 1.00 0.00 C ATOM 963 CG LYS B 29 -11.419 -7.092 -5.795 1.00 0.00 C ATOM 964 CD LYS B 29 -11.614 -7.955 -7.043 1.00 0.00 C ATOM 965 CE LYS B 29 -12.416 -9.216 -6.718 1.00 0.00 C ATOM 966 NZ LYS B 29 -11.552 -10.228 -6.070 1.00 0.00 N ATOM 0 H LYS B 29 -13.736 -3.859 -5.941 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.015 -6.578 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -11.995 -5.346 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.754 -5.041 -5.216 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.356 -6.908 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.783 -7.627 -4.918 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.131 -7.379 -7.811 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.643 -8.233 -7.453 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -13.248 -8.965 -6.060 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.845 -9.627 -7.632 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.113 -11.077 -5.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.772 -10.480 -6.710 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.163 -9.839 -5.187 1.00 0.00 H new ATOM 980 N PHE B 30 -13.499 -6.071 -3.285 1.00 0.00 N ATOM 981 CA PHE B 30 -13.705 -6.655 -1.970 1.00 0.00 C ATOM 982 C PHE B 30 -15.142 -6.437 -1.493 1.00 0.00 C ATOM 983 O PHE B 30 -15.530 -6.932 -0.436 1.00 0.00 O ATOM 984 CB PHE B 30 -12.748 -5.944 -1.011 1.00 0.00 C ATOM 985 CG PHE B 30 -11.296 -6.414 -1.117 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.885 -7.512 -0.428 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.417 -5.735 -1.901 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.537 -7.948 -0.526 1.00 0.00 C ATOM 989 CE2 PHE B 30 -9.069 -6.171 -2.000 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.658 -7.269 -1.310 1.00 0.00 C ATOM 0 H PHE B 30 -12.960 -5.205 -3.288 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.522 -7.729 -2.006 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -12.787 -4.872 -1.204 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -13.095 -6.097 0.011 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -11.584 -8.052 0.194 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.744 -4.864 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -9.210 -8.819 0.022 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.371 -5.631 -2.623 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.633 -7.601 -1.385 1.00 0.00 H new ATOM 1000 N GLY B 31 -15.893 -5.698 -2.296 1.00 0.00 N ATOM 1001 CA GLY B 31 -17.280 -5.411 -1.970 1.00 0.00 C ATOM 1002 C GLY B 31 -17.427 -5.018 -0.498 1.00 0.00 C ATOM 1003 O GLY B 31 -18.261 -5.572 0.216 1.00 0.00 O ATOM 0 H GLY B 31 -15.567 -5.289 -3.172 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -17.647 -4.604 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -17.895 -6.286 -2.180 1.00 0.00 H new ATOM 1007 N VAL B 32 -16.604 -4.064 -0.089 1.00 0.00 N ATOM 1008 CA VAL B 32 -16.635 -3.586 1.283 1.00 0.00 C ATOM 1009 C VAL B 32 -17.578 -2.384 1.379 1.00 0.00 C ATOM 1010 O VAL B 32 -17.218 -1.353 1.944 1.00 0.00 O ATOM 1011 CB VAL B 32 -15.216 -3.272 1.760 1.00 0.00 C ATOM 1012 CG1 VAL B 32 -14.690 -1.990 1.111 1.00 0.00 C ATOM 1013 CG2 VAL B 32 -15.159 -3.177 3.286 1.00 0.00 C ATOM 0 H VAL B 32 -15.911 -3.609 -0.684 1.00 0.00 H new ATOM 0 HA VAL B 32 -17.023 -4.358 1.947 1.00 0.00 H new ATOM 0 HB VAL B 32 -14.570 -4.093 1.451 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -13.680 -1.790 1.467 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -14.676 -2.110 0.028 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -15.340 -1.156 1.375 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -14.139 -2.953 3.599 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -15.825 -2.384 3.626 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -15.472 -4.126 3.722 1.00 0.00 H new ATOM 1023 N SER B 33 -18.765 -2.558 0.818 1.00 0.00 N ATOM 1024 CA SER B 33 -19.753 -1.492 0.810 1.00 0.00 C ATOM 1025 C SER B 33 -20.810 -1.751 1.886 1.00 0.00 C ATOM 1026 O SER B 33 -21.690 -2.591 1.706 1.00 0.00 O ATOM 1027 CB SER B 33 -20.413 -1.363 -0.563 1.00 0.00 C ATOM 1028 OG SER B 33 -20.880 -2.618 -1.052 1.00 0.00 O ATOM 0 H SER B 33 -19.065 -3.421 0.365 1.00 0.00 H new ATOM 0 HA SER B 33 -19.245 -0.553 1.028 1.00 0.00 H new ATOM 0 HB2 SER B 33 -21.248 -0.665 -0.500 1.00 0.00 H new ATOM 0 HB3 SER B 33 -19.699 -0.942 -1.270 1.00 0.00 H new ATOM 0 HG SER B 33 -21.331 -3.103 -0.330 1.00 0.00 H new ATOM 1034 N ALA B 34 -20.688 -1.013 2.979 1.00 0.00 N ATOM 1035 CA ALA B 34 -21.627 -1.147 4.081 1.00 0.00 C ATOM 1036 C ALA B 34 -22.365 0.178 4.280 1.00 0.00 C ATOM 1037 O ALA B 34 -22.240 0.811 5.327 1.00 0.00 O ATOM 1038 CB ALA B 34 -20.878 -1.592 5.338 1.00 0.00 C ATOM 0 H ALA B 34 -19.954 -0.320 3.126 1.00 0.00 H new ATOM 0 HA ALA B 34 -22.373 -1.910 3.859 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -21.582 -1.693 6.164 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -20.396 -2.552 5.153 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -20.122 -0.849 5.593 1.00 0.00 H new ATOM 1044 N ALA B 35 -23.119 0.558 3.259 1.00 0.00 N ATOM 1045 CA ALA B 35 -23.862 1.806 3.301 1.00 0.00 C ATOM 1046 C ALA B 35 -22.916 2.945 3.686 1.00 0.00 C ATOM 1047 O ALA B 35 -22.871 3.355 4.845 1.00 0.00 O ATOM 1048 CB ALA B 35 -25.036 1.669 4.273 1.00 0.00 C ATOM 0 H ALA B 35 -23.231 0.024 2.398 1.00 0.00 H new ATOM 0 HA ALA B 35 -24.276 2.039 2.320 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -25.593 2.605 4.305 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -25.693 0.866 3.939 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -24.659 1.438 5.269 1.00 0.00 H new ATOM 1054 N ALA B 36 -22.183 3.424 2.692 1.00 0.00 N ATOM 1055 CA ALA B 36 -21.261 4.527 2.906 1.00 0.00 C ATOM 1056 C ALA B 36 -20.220 4.121 3.952 1.00 0.00 C ATOM 1057 O ALA B 36 -20.223 4.637 5.068 1.00 0.00 O ATOM 1058 CB ALA B 36 -22.045 5.775 3.318 1.00 0.00 C ATOM 0 H ALA B 36 -22.209 3.069 1.736 1.00 0.00 H new ATOM 0 HA ALA B 36 -20.728 4.765 1.986 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -21.354 6.602 3.479 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -22.750 6.039 2.529 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -22.591 5.574 4.240 1.00 0.00 H new ATOM 1064 N ALA B 37 -19.356 3.200 3.553 1.00 0.00 N ATOM 1065 CA ALA B 37 -18.299 2.734 4.434 1.00 0.00 C ATOM 1066 C ALA B 37 -17.049 2.427 3.607 1.00 0.00 C ATOM 1067 O ALA B 37 -16.974 2.785 2.432 1.00 0.00 O ATOM 1068 CB ALA B 37 -18.790 1.517 5.222 1.00 0.00 C ATOM 0 H ALA B 37 -19.366 2.764 2.631 1.00 0.00 H new ATOM 0 HA ALA B 37 -18.035 3.506 5.157 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -17.997 1.167 5.883 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -19.661 1.795 5.816 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -19.062 0.721 4.529 1.00 0.00 H new TER 1074 ALA B 37