USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=16 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: B 3 THR OG1 : rot 122:sc= -0.25 USER MOD Set 1.2: B 6 GLN : amide:sc= -1.07 K(o=-1.3,f=-5!) 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= -0.605 USER MOD Single : A 4 LYS NZ :NH3+ -171:sc= 0.114 (180deg=0.0328) USER MOD Single : A 6 GLN : amide:sc= -0.263 K(o=-0.26,f=-1.2) USER MOD Single : A 14 MET CE :methyl 164:sc= 0 (180deg=-0.241) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0437 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 89:sc= 0.081 USER MOD Single : A 26 MET CE :methyl 162:sc= -2.71! (180deg=-4.63!) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0.0192 (180deg=0.0182) USER MOD Single : A 33 SER OG : rot 180:sc= 0 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 4 LYS NZ :NH3+ -164:sc= 1.15 (180deg=1.11) USER MOD Single : B 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot -82:sc= 0.0818 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 164:sc= -3.24! (180deg=-4.06!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.432 -1.148 -12.655 1.00 0.00 N ATOM 2 CA SER A 1 4.040 -1.545 -12.788 1.00 0.00 C ATOM 3 C SER A 1 3.254 -1.120 -11.547 1.00 0.00 C ATOM 4 O SER A 1 2.866 -1.959 -10.735 1.00 0.00 O ATOM 5 CB SER A 1 3.917 -3.055 -13.003 1.00 0.00 C ATOM 6 OG SER A 1 4.434 -3.458 -14.268 1.00 0.00 O ATOM 0 H1 SER A 1 5.959 -1.441 -13.503 1.00 0.00 H new ATOM 0 H2 SER A 1 5.490 -0.115 -12.551 1.00 0.00 H new ATOM 0 H3 SER A 1 5.844 -1.604 -11.816 1.00 0.00 H new ATOM 0 HA SER A 1 3.623 -1.045 -13.663 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.451 -3.579 -12.210 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.870 -3.347 -12.930 1.00 0.00 H new ATOM 0 HG SER A 1 4.339 -4.428 -14.366 1.00 0.00 H new ATOM 12 N ILE A 2 3.041 0.184 -11.438 1.00 0.00 N ATOM 13 CA ILE A 2 2.298 0.729 -10.314 1.00 0.00 C ATOM 14 C ILE A 2 0.872 1.053 -10.762 1.00 0.00 C ATOM 15 O ILE A 2 0.437 2.201 -10.678 1.00 0.00 O ATOM 16 CB ILE A 2 3.040 1.924 -9.711 1.00 0.00 C ATOM 17 CG1 ILE A 2 4.538 1.634 -9.589 1.00 0.00 C ATOM 18 CG2 ILE A 2 2.424 2.332 -8.372 1.00 0.00 C ATOM 19 CD1 ILE A 2 5.272 2.811 -8.942 1.00 0.00 C ATOM 0 H ILE A 2 3.370 0.878 -12.109 1.00 0.00 H new ATOM 0 HA ILE A 2 2.222 -0.007 -9.513 1.00 0.00 H new ATOM 0 HB ILE A 2 2.930 2.772 -10.387 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.691 0.734 -8.994 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.956 1.438 -10.576 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.970 3.183 -7.965 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.380 2.608 -8.521 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.483 1.496 -7.675 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.335 2.580 -8.867 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.137 3.704 -9.552 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.868 2.988 -7.945 1.00 0.00 H new ATOM 31 N THR A 3 0.182 0.022 -11.227 1.00 0.00 N ATOM 32 CA THR A 3 -1.186 0.182 -11.687 1.00 0.00 C ATOM 33 C THR A 3 -2.161 0.058 -10.514 1.00 0.00 C ATOM 34 O THR A 3 -1.822 -0.511 -9.478 1.00 0.00 O ATOM 35 CB THR A 3 -1.436 -0.842 -12.796 1.00 0.00 C ATOM 36 OG1 THR A 3 -0.987 -2.074 -12.238 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.525 -0.628 -14.006 1.00 0.00 C ATOM 0 H THR A 3 0.546 -0.928 -11.295 1.00 0.00 H new ATOM 0 HA THR A 3 -1.350 1.177 -12.101 1.00 0.00 H new ATOM 0 HB THR A 3 -2.478 -0.788 -13.112 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.114 -2.794 -12.890 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.743 -1.381 -14.763 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.698 0.365 -14.421 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.517 -0.715 -13.697 1.00 0.00 H new ATOM 45 N LYS A 4 -3.353 0.600 -10.717 1.00 0.00 N ATOM 46 CA LYS A 4 -4.379 0.559 -9.689 1.00 0.00 C ATOM 47 C LYS A 4 -4.671 -0.898 -9.325 1.00 0.00 C ATOM 48 O LYS A 4 -4.737 -1.246 -8.147 1.00 0.00 O ATOM 49 CB LYS A 4 -5.616 1.342 -10.134 1.00 0.00 C ATOM 50 CG LYS A 4 -5.438 2.840 -9.877 1.00 0.00 C ATOM 51 CD LYS A 4 -6.617 3.636 -10.441 1.00 0.00 C ATOM 52 CE LYS A 4 -6.463 3.851 -11.947 1.00 0.00 C ATOM 53 NZ LYS A 4 -5.713 5.098 -12.219 1.00 0.00 N ATOM 0 H LYS A 4 -3.631 1.070 -11.578 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.029 1.051 -8.782 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.797 1.170 -11.195 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.493 0.979 -9.598 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.351 3.021 -8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.510 3.184 -10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.548 3.106 -10.239 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.683 4.600 -9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.942 3.002 -12.390 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.446 3.901 -12.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.748 5.309 -13.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.140 5.883 -11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.723 4.979 -11.924 1.00 0.00 H new ATOM 67 N ASP A 5 -4.840 -1.710 -10.357 1.00 0.00 N ATOM 68 CA ASP A 5 -5.167 -3.112 -10.161 1.00 0.00 C ATOM 69 C ASP A 5 -4.055 -3.782 -9.352 1.00 0.00 C ATOM 70 O ASP A 5 -4.327 -4.615 -8.488 1.00 0.00 O ATOM 71 CB ASP A 5 -5.283 -3.843 -11.500 1.00 0.00 C ATOM 72 CG ASP A 5 -6.633 -3.691 -12.205 1.00 0.00 C ATOM 73 OD1 ASP A 5 -7.319 -2.690 -11.906 1.00 0.00 O ATOM 74 OD2 ASP A 5 -6.947 -4.579 -13.027 1.00 0.00 O ATOM 0 H ASP A 5 -4.757 -1.424 -11.333 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.121 -3.166 -9.637 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.500 -3.479 -12.165 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.093 -4.904 -11.335 1.00 0.00 H new ATOM 79 N GLN A 6 -2.826 -3.395 -9.660 1.00 0.00 N ATOM 80 CA GLN A 6 -1.670 -3.983 -9.007 1.00 0.00 C ATOM 81 C GLN A 6 -1.758 -3.786 -7.492 1.00 0.00 C ATOM 82 O GLN A 6 -1.199 -4.570 -6.727 1.00 0.00 O ATOM 83 CB GLN A 6 -0.369 -3.397 -9.561 1.00 0.00 C ATOM 84 CG GLN A 6 0.223 -4.302 -10.642 1.00 0.00 C ATOM 85 CD GLN A 6 0.765 -5.598 -10.036 1.00 0.00 C ATOM 86 OE1 GLN A 6 1.225 -5.641 -8.907 1.00 0.00 O ATOM 87 NE2 GLN A 6 0.687 -6.649 -10.848 1.00 0.00 N ATOM 0 H GLN A 6 -2.606 -2.681 -10.354 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.666 -5.053 -9.215 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.559 -2.407 -9.975 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.351 -3.272 -8.752 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.540 -4.535 -11.384 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.024 -3.777 -11.162 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.290 -6.544 -11.782 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.024 -7.560 -10.537 1.00 0.00 H new ATOM 96 N ILE A 7 -2.466 -2.735 -7.105 1.00 0.00 N ATOM 97 CA ILE A 7 -2.639 -2.428 -5.695 1.00 0.00 C ATOM 98 C ILE A 7 -3.735 -3.323 -5.114 1.00 0.00 C ATOM 99 O ILE A 7 -3.655 -3.737 -3.958 1.00 0.00 O ATOM 100 CB ILE A 7 -2.899 -0.933 -5.500 1.00 0.00 C ATOM 101 CG1 ILE A 7 -1.730 -0.100 -6.032 1.00 0.00 C ATOM 102 CG2 ILE A 7 -3.209 -0.616 -4.036 1.00 0.00 C ATOM 103 CD1 ILE A 7 -0.551 -0.125 -5.058 1.00 0.00 C ATOM 0 H ILE A 7 -2.926 -2.086 -7.743 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.724 -2.644 -5.143 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.780 -0.661 -6.081 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.414 -0.487 -7.001 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.054 0.929 -6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.390 0.453 -3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.096 -1.168 -3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.363 -0.907 -3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.266 0.474 -5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.864 0.285 -4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.214 -1.152 -4.921 1.00 0.00 H new ATOM 115 N ILE A 8 -4.734 -3.595 -5.941 1.00 0.00 N ATOM 116 CA ILE A 8 -5.859 -4.409 -5.514 1.00 0.00 C ATOM 117 C ILE A 8 -5.350 -5.783 -5.074 1.00 0.00 C ATOM 118 O ILE A 8 -5.669 -6.246 -3.980 1.00 0.00 O ATOM 119 CB ILE A 8 -6.923 -4.470 -6.612 1.00 0.00 C ATOM 120 CG1 ILE A 8 -7.399 -3.066 -6.992 1.00 0.00 C ATOM 121 CG2 ILE A 8 -8.084 -5.377 -6.199 1.00 0.00 C ATOM 122 CD1 ILE A 8 -8.498 -3.129 -8.054 1.00 0.00 C ATOM 0 H ILE A 8 -4.787 -3.266 -6.905 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.350 -3.959 -4.651 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.472 -4.909 -7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.773 -2.553 -6.106 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.559 -2.482 -7.367 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.827 -5.403 -6.996 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.711 -6.385 -6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.542 -4.990 -5.289 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.819 -2.118 -8.306 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.113 -3.621 -8.947 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.347 -3.693 -7.666 1.00 0.00 H new ATOM 134 N GLU A 9 -4.567 -6.397 -5.950 1.00 0.00 N ATOM 135 CA GLU A 9 -4.045 -7.727 -5.683 1.00 0.00 C ATOM 136 C GLU A 9 -3.073 -7.688 -4.502 1.00 0.00 C ATOM 137 O GLU A 9 -2.769 -8.723 -3.910 1.00 0.00 O ATOM 138 CB GLU A 9 -3.374 -8.312 -6.927 1.00 0.00 C ATOM 139 CG GLU A 9 -2.162 -7.475 -7.341 1.00 0.00 C ATOM 140 CD GLU A 9 -0.965 -8.368 -7.670 1.00 0.00 C ATOM 141 OE1 GLU A 9 -0.981 -8.957 -8.772 1.00 0.00 O ATOM 142 OE2 GLU A 9 -0.059 -8.443 -6.811 1.00 0.00 O ATOM 0 H GLU A 9 -4.282 -5.998 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.879 -8.378 -5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.062 -9.337 -6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.091 -8.351 -7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.415 -6.866 -8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.898 -6.789 -6.537 1.00 0.00 H new ATOM 149 N ALA A 10 -2.612 -6.485 -4.195 1.00 0.00 N ATOM 150 CA ALA A 10 -1.654 -6.303 -3.118 1.00 0.00 C ATOM 151 C ALA A 10 -2.378 -6.404 -1.775 1.00 0.00 C ATOM 152 O ALA A 10 -1.836 -6.943 -0.812 1.00 0.00 O ATOM 153 CB ALA A 10 -0.936 -4.963 -3.295 1.00 0.00 C ATOM 0 H ALA A 10 -2.884 -5.626 -4.673 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.895 -7.085 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.217 -4.826 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.413 -4.954 -4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.666 -4.154 -3.273 1.00 0.00 H new ATOM 159 N VAL A 11 -3.594 -5.876 -1.752 1.00 0.00 N ATOM 160 CA VAL A 11 -4.396 -5.896 -0.541 1.00 0.00 C ATOM 161 C VAL A 11 -4.888 -7.321 -0.284 1.00 0.00 C ATOM 162 O VAL A 11 -5.089 -7.715 0.864 1.00 0.00 O ATOM 163 CB VAL A 11 -5.536 -4.881 -0.652 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.576 -5.102 0.448 1.00 0.00 C ATOM 165 CG2 VAL A 11 -5.000 -3.448 -0.620 1.00 0.00 C ATOM 0 H VAL A 11 -4.043 -5.432 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.796 -5.599 0.319 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.027 -5.033 -1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.375 -4.368 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.992 -6.106 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.103 -4.991 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.831 -2.747 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.471 -3.278 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.316 -3.297 -1.455 1.00 0.00 H new ATOM 175 N ALA A 12 -5.068 -8.057 -1.371 1.00 0.00 N ATOM 176 CA ALA A 12 -5.543 -9.427 -1.278 1.00 0.00 C ATOM 177 C ALA A 12 -4.362 -10.352 -0.979 1.00 0.00 C ATOM 178 O ALA A 12 -4.536 -11.562 -0.845 1.00 0.00 O ATOM 179 CB ALA A 12 -6.267 -9.805 -2.572 1.00 0.00 C ATOM 0 H ALA A 12 -4.893 -7.730 -2.321 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.258 -9.531 -0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.623 -10.833 -2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.114 -9.136 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.579 -9.715 -3.413 1.00 0.00 H new ATOM 185 N ALA A 13 -3.187 -9.748 -0.883 1.00 0.00 N ATOM 186 CA ALA A 13 -1.976 -10.504 -0.618 1.00 0.00 C ATOM 187 C ALA A 13 -1.698 -10.504 0.886 1.00 0.00 C ATOM 188 O ALA A 13 -1.099 -11.442 1.411 1.00 0.00 O ATOM 189 CB ALA A 13 -0.818 -9.913 -1.425 1.00 0.00 C ATOM 0 H ALA A 13 -3.048 -8.743 -0.984 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.096 -11.541 -0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.091 -10.481 -1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.052 -9.964 -2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.667 -8.873 -1.136 1.00 0.00 H new ATOM 195 N MET A 14 -2.146 -9.441 1.538 1.00 0.00 N ATOM 196 CA MET A 14 -1.935 -9.297 2.969 1.00 0.00 C ATOM 197 C MET A 14 -3.183 -9.708 3.752 1.00 0.00 C ATOM 198 O MET A 14 -4.241 -9.933 3.166 1.00 0.00 O ATOM 199 CB MET A 14 -1.587 -7.841 3.289 1.00 0.00 C ATOM 200 CG MET A 14 -0.297 -7.418 2.585 1.00 0.00 C ATOM 201 SD MET A 14 -0.509 -5.811 1.836 1.00 0.00 S ATOM 202 CE MET A 14 1.118 -5.576 1.140 1.00 0.00 C ATOM 0 H MET A 14 -2.654 -8.671 1.102 1.00 0.00 H new ATOM 0 HA MET A 14 -1.114 -9.950 3.264 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.405 -7.191 2.978 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.474 -7.719 4.366 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.525 -7.389 3.300 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.031 -8.151 1.823 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.087 -4.772 0.405 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.819 -5.316 1.933 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.443 -6.497 0.656 1.00 0.00 H new ATOM 212 N SER A 15 -3.018 -9.794 5.063 1.00 0.00 N ATOM 213 CA SER A 15 -4.118 -10.176 5.932 1.00 0.00 C ATOM 214 C SER A 15 -5.053 -8.984 6.148 1.00 0.00 C ATOM 215 O SER A 15 -4.672 -7.840 5.904 1.00 0.00 O ATOM 216 CB SER A 15 -3.604 -10.697 7.276 1.00 0.00 C ATOM 217 OG SER A 15 -2.311 -10.185 7.587 1.00 0.00 O ATOM 0 H SER A 15 -2.139 -9.606 5.545 1.00 0.00 H new ATOM 0 HA SER A 15 -4.671 -10.981 5.448 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.303 -10.419 8.064 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.567 -11.786 7.253 1.00 0.00 H new ATOM 0 HG SER A 15 -2.018 -10.539 8.453 1.00 0.00 H new ATOM 223 N VAL A 16 -6.259 -9.293 6.603 1.00 0.00 N ATOM 224 CA VAL A 16 -7.257 -8.263 6.837 1.00 0.00 C ATOM 225 C VAL A 16 -6.722 -7.265 7.866 1.00 0.00 C ATOM 226 O VAL A 16 -6.831 -6.054 7.677 1.00 0.00 O ATOM 227 CB VAL A 16 -8.581 -8.903 7.258 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.599 -7.838 7.669 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.138 -9.793 6.145 1.00 0.00 C ATOM 0 H VAL A 16 -6.567 -10.242 6.816 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.456 -7.709 5.920 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.387 -9.533 8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.531 -8.320 7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.206 -7.264 8.508 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.786 -7.170 6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.079 -10.236 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.309 -9.194 5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.423 -10.585 5.920 1.00 0.00 H new ATOM 239 N MET A 17 -6.154 -7.810 8.932 1.00 0.00 N ATOM 240 CA MET A 17 -5.606 -6.982 9.993 1.00 0.00 C ATOM 241 C MET A 17 -4.533 -6.035 9.451 1.00 0.00 C ATOM 242 O MET A 17 -4.536 -4.845 9.761 1.00 0.00 O ATOM 243 CB MET A 17 -4.998 -7.876 11.076 1.00 0.00 C ATOM 244 CG MET A 17 -6.040 -8.239 12.135 1.00 0.00 C ATOM 245 SD MET A 17 -5.871 -7.165 13.551 1.00 0.00 S ATOM 246 CE MET A 17 -7.440 -7.455 14.350 1.00 0.00 C ATOM 0 H MET A 17 -6.061 -8.814 9.084 1.00 0.00 H new ATOM 0 HA MET A 17 -6.413 -6.383 10.414 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.603 -8.785 10.623 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.159 -7.364 11.547 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.042 -8.148 11.717 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.915 -9.278 12.439 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.501 -6.857 15.259 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.249 -7.174 13.676 1.00 0.00 H new ATOM 0 HE3 MET A 17 -7.529 -8.511 14.604 1.00 0.00 H new ATOM 256 N ASP A 18 -3.640 -6.600 8.651 1.00 0.00 N ATOM 257 CA ASP A 18 -2.548 -5.827 8.085 1.00 0.00 C ATOM 258 C ASP A 18 -3.119 -4.712 7.207 1.00 0.00 C ATOM 259 O ASP A 18 -2.499 -3.661 7.051 1.00 0.00 O ATOM 260 CB ASP A 18 -1.648 -6.703 7.212 1.00 0.00 C ATOM 261 CG ASP A 18 -0.159 -6.351 7.259 1.00 0.00 C ATOM 262 OD1 ASP A 18 0.236 -5.691 8.244 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.549 -6.749 6.310 1.00 0.00 O ATOM 0 H ASP A 18 -3.651 -7.584 8.382 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.963 -5.417 8.908 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.770 -7.742 7.519 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.990 -6.633 6.179 1.00 0.00 H new ATOM 268 N VAL A 19 -4.294 -4.979 6.656 1.00 0.00 N ATOM 269 CA VAL A 19 -4.938 -4.027 5.768 1.00 0.00 C ATOM 270 C VAL A 19 -5.629 -2.946 6.602 1.00 0.00 C ATOM 271 O VAL A 19 -5.752 -1.803 6.164 1.00 0.00 O ATOM 272 CB VAL A 19 -5.895 -4.756 4.824 1.00 0.00 C ATOM 273 CG1 VAL A 19 -6.843 -3.772 4.136 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.124 -5.585 3.794 1.00 0.00 C ATOM 0 H VAL A 19 -4.817 -5.842 6.808 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.199 -3.531 5.139 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.498 -5.440 5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.513 -4.317 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.429 -3.245 4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.263 -3.052 3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.828 -6.093 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.484 -4.929 3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.510 -6.324 4.308 1.00 0.00 H new ATOM 284 N VAL A 20 -6.063 -3.345 7.788 1.00 0.00 N ATOM 285 CA VAL A 20 -6.722 -2.421 8.695 1.00 0.00 C ATOM 286 C VAL A 20 -5.711 -1.378 9.177 1.00 0.00 C ATOM 287 O VAL A 20 -6.060 -0.215 9.375 1.00 0.00 O ATOM 288 CB VAL A 20 -7.379 -3.191 9.842 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.644 -2.274 11.037 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.668 -3.872 9.377 1.00 0.00 C ATOM 0 H VAL A 20 -5.971 -4.297 8.142 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.521 -1.887 8.181 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.686 -3.969 10.164 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.111 -2.846 11.838 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.702 -1.857 11.391 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.308 -1.465 10.734 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.115 -4.413 10.211 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.368 -3.118 9.016 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.440 -4.571 8.572 1.00 0.00 H new ATOM 300 N GLU A 21 -4.479 -1.832 9.352 1.00 0.00 N ATOM 301 CA GLU A 21 -3.409 -0.946 9.780 1.00 0.00 C ATOM 302 C GLU A 21 -3.116 0.094 8.698 1.00 0.00 C ATOM 303 O GLU A 21 -3.023 1.286 8.987 1.00 0.00 O ATOM 304 CB GLU A 21 -2.150 -1.739 10.133 1.00 0.00 C ATOM 305 CG GLU A 21 -2.267 -2.363 11.526 1.00 0.00 C ATOM 306 CD GLU A 21 -2.036 -1.315 12.617 1.00 0.00 C ATOM 307 OE1 GLU A 21 -0.849 -1.022 12.880 1.00 0.00 O ATOM 308 OE2 GLU A 21 -3.050 -0.832 13.163 1.00 0.00 O ATOM 0 H GLU A 21 -4.197 -2.801 9.205 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.734 -0.423 10.680 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.990 -2.522 9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.280 -1.083 10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.255 -2.808 11.647 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.540 -3.168 11.630 1.00 0.00 H new ATOM 315 N LEU A 22 -2.979 -0.394 7.474 1.00 0.00 N ATOM 316 CA LEU A 22 -2.745 0.484 6.340 1.00 0.00 C ATOM 317 C LEU A 22 -3.851 1.539 6.280 1.00 0.00 C ATOM 318 O LEU A 22 -3.583 2.733 6.401 1.00 0.00 O ATOM 319 CB LEU A 22 -2.602 -0.330 5.052 1.00 0.00 C ATOM 320 CG LEU A 22 -2.184 0.453 3.806 1.00 0.00 C ATOM 321 CD1 LEU A 22 -0.670 0.673 3.779 1.00 0.00 C ATOM 322 CD2 LEU A 22 -2.686 -0.233 2.534 1.00 0.00 C ATOM 0 H LEU A 22 -3.026 -1.386 7.243 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.802 1.017 6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.870 -1.119 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.555 -0.819 4.847 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.652 1.437 3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.399 1.232 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.368 1.235 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.162 -0.291 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.375 0.344 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.267 -1.237 2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.774 -0.295 2.559 1.00 0.00 H new ATOM 334 N ILE A 23 -5.073 1.060 6.094 1.00 0.00 N ATOM 335 CA ILE A 23 -6.215 1.949 5.974 1.00 0.00 C ATOM 336 C ILE A 23 -6.175 2.979 7.105 1.00 0.00 C ATOM 337 O ILE A 23 -6.534 4.138 6.906 1.00 0.00 O ATOM 338 CB ILE A 23 -7.516 1.145 5.920 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.659 0.423 4.578 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.723 2.035 6.223 1.00 0.00 C ATOM 341 CD1 ILE A 23 -8.805 -0.590 4.620 1.00 0.00 C ATOM 0 H ILE A 23 -5.296 0.067 6.024 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.170 2.503 5.036 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.477 0.380 6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.841 1.151 3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.727 -0.087 4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.635 1.439 6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.618 2.463 7.220 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.777 2.837 5.487 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.885 -1.089 3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.608 -1.330 5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.739 -0.073 4.840 1.00 0.00 H new ATOM 353 N SER A 24 -5.736 2.518 8.267 1.00 0.00 N ATOM 354 CA SER A 24 -5.690 3.371 9.442 1.00 0.00 C ATOM 355 C SER A 24 -4.571 4.404 9.295 1.00 0.00 C ATOM 356 O SER A 24 -4.736 5.562 9.676 1.00 0.00 O ATOM 357 CB SER A 24 -5.487 2.546 10.714 1.00 0.00 C ATOM 358 OG SER A 24 -6.722 2.083 11.253 1.00 0.00 O ATOM 0 H SER A 24 -5.409 1.564 8.420 1.00 0.00 H new ATOM 0 HA SER A 24 -6.645 3.889 9.526 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.845 1.693 10.494 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.970 3.150 11.459 1.00 0.00 H new ATOM 0 HG SER A 24 -6.946 1.214 10.859 1.00 0.00 H new ATOM 364 N ALA A 25 -3.457 3.948 8.740 1.00 0.00 N ATOM 365 CA ALA A 25 -2.310 4.817 8.542 1.00 0.00 C ATOM 366 C ALA A 25 -2.714 5.993 7.651 1.00 0.00 C ATOM 367 O ALA A 25 -2.586 7.150 8.048 1.00 0.00 O ATOM 368 CB ALA A 25 -1.153 4.009 7.952 1.00 0.00 C ATOM 0 H ALA A 25 -3.325 2.988 8.421 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.970 5.226 9.493 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.292 4.661 7.803 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.885 3.204 8.637 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.456 3.585 6.995 1.00 0.00 H new ATOM 374 N MET A 26 -3.192 5.656 6.462 1.00 0.00 N ATOM 375 CA MET A 26 -3.608 6.670 5.508 1.00 0.00 C ATOM 376 C MET A 26 -4.611 7.638 6.139 1.00 0.00 C ATOM 377 O MET A 26 -4.485 8.852 5.991 1.00 0.00 O ATOM 378 CB MET A 26 -4.246 5.995 4.292 1.00 0.00 C ATOM 379 CG MET A 26 -3.190 5.279 3.446 1.00 0.00 C ATOM 380 SD MET A 26 -3.982 4.323 2.163 1.00 0.00 S ATOM 381 CE MET A 26 -4.676 5.640 1.179 1.00 0.00 C ATOM 0 H MET A 26 -3.300 4.695 6.138 1.00 0.00 H new ATOM 0 HA MET A 26 -2.729 7.236 5.201 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.999 5.280 4.622 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.759 6.741 3.685 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.512 6.008 3.002 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.587 4.627 4.078 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.925 5.261 0.188 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.578 6.017 1.660 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.949 6.447 1.087 1.00 0.00 H new ATOM 391 N GLU A 27 -5.585 7.063 6.829 1.00 0.00 N ATOM 392 CA GLU A 27 -6.619 7.859 7.470 1.00 0.00 C ATOM 393 C GLU A 27 -5.990 9.013 8.254 1.00 0.00 C ATOM 394 O GLU A 27 -6.452 10.150 8.169 1.00 0.00 O ATOM 395 CB GLU A 27 -7.495 6.993 8.377 1.00 0.00 C ATOM 396 CG GLU A 27 -8.732 6.492 7.629 1.00 0.00 C ATOM 397 CD GLU A 27 -9.629 5.660 8.547 1.00 0.00 C ATOM 398 OE1 GLU A 27 -9.185 4.554 8.923 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.738 6.150 8.853 1.00 0.00 O ATOM 0 H GLU A 27 -5.680 6.056 6.958 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.260 8.279 6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.918 6.144 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.802 7.569 9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.293 7.341 7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.425 5.891 6.773 1.00 0.00 H new ATOM 406 N GLU A 28 -4.947 8.681 9.000 1.00 0.00 N ATOM 407 CA GLU A 28 -4.298 9.658 9.857 1.00 0.00 C ATOM 408 C GLU A 28 -3.353 10.539 9.037 1.00 0.00 C ATOM 409 O GLU A 28 -3.358 11.761 9.180 1.00 0.00 O ATOM 410 CB GLU A 28 -3.552 8.972 11.003 1.00 0.00 C ATOM 411 CG GLU A 28 -3.288 9.950 12.149 1.00 0.00 C ATOM 412 CD GLU A 28 -1.957 9.643 12.838 1.00 0.00 C ATOM 413 OE1 GLU A 28 -0.917 9.821 12.168 1.00 0.00 O ATOM 414 OE2 GLU A 28 -2.009 9.236 14.019 1.00 0.00 O ATOM 0 H GLU A 28 -4.535 7.748 9.029 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.066 10.294 10.297 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.137 8.128 11.368 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.607 8.571 10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.276 10.970 11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.099 9.892 12.875 1.00 0.00 H new ATOM 421 N LYS A 29 -2.565 9.885 8.197 1.00 0.00 N ATOM 422 CA LYS A 29 -1.589 10.590 7.383 1.00 0.00 C ATOM 423 C LYS A 29 -2.303 11.654 6.547 1.00 0.00 C ATOM 424 O LYS A 29 -2.070 12.848 6.726 1.00 0.00 O ATOM 425 CB LYS A 29 -0.770 9.601 6.552 1.00 0.00 C ATOM 426 CG LYS A 29 0.217 10.335 5.642 1.00 0.00 C ATOM 427 CD LYS A 29 -0.257 10.314 4.188 1.00 0.00 C ATOM 428 CE LYS A 29 0.685 11.122 3.293 1.00 0.00 C ATOM 429 NZ LYS A 29 0.158 12.490 3.087 1.00 0.00 N ATOM 0 H LYS A 29 -2.582 8.874 8.062 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.870 11.111 8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.227 8.926 7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.438 8.986 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.328 11.366 5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.200 9.869 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.308 9.285 3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.265 10.723 4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.674 11.172 3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.801 10.622 2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.783 13.008 2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.798 12.436 2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.118 12.988 3.999 1.00 0.00 H new ATOM 443 N PHE A 30 -3.157 11.182 5.651 1.00 0.00 N ATOM 444 CA PHE A 30 -3.902 12.078 4.783 1.00 0.00 C ATOM 445 C PHE A 30 -5.009 12.797 5.556 1.00 0.00 C ATOM 446 O PHE A 30 -5.723 13.627 4.996 1.00 0.00 O ATOM 447 CB PHE A 30 -4.537 11.216 3.690 1.00 0.00 C ATOM 448 CG PHE A 30 -3.536 10.661 2.674 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.077 11.454 1.669 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.106 9.375 2.776 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.149 10.939 0.727 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.177 8.860 1.834 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.718 9.653 0.829 1.00 0.00 C ATOM 0 H PHE A 30 -3.350 10.191 5.507 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.235 12.834 4.369 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.063 10.384 4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.284 11.809 3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.419 12.475 1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.471 8.745 3.574 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.785 11.569 -0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.835 7.839 1.915 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.011 9.262 0.112 1.00 0.00 H new ATOM 463 N GLY A 31 -5.115 12.453 6.831 1.00 0.00 N ATOM 464 CA GLY A 31 -6.109 13.072 7.692 1.00 0.00 C ATOM 465 C GLY A 31 -7.472 13.133 7.001 1.00 0.00 C ATOM 466 O GLY A 31 -8.075 14.200 6.902 1.00 0.00 O ATOM 0 H GLY A 31 -4.530 11.754 7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.193 12.507 8.621 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.787 14.079 7.959 1.00 0.00 H new ATOM 470 N VAL A 32 -7.919 11.973 6.541 1.00 0.00 N ATOM 471 CA VAL A 32 -9.212 11.877 5.885 1.00 0.00 C ATOM 472 C VAL A 32 -10.014 10.737 6.516 1.00 0.00 C ATOM 473 O VAL A 32 -10.300 9.737 5.860 1.00 0.00 O ATOM 474 CB VAL A 32 -9.023 11.711 4.376 1.00 0.00 C ATOM 475 CG1 VAL A 32 -10.344 11.348 3.695 1.00 0.00 C ATOM 476 CG2 VAL A 32 -8.415 12.971 3.758 1.00 0.00 C ATOM 0 H VAL A 32 -7.409 11.092 6.610 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.782 12.795 6.028 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.326 10.889 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.182 11.236 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.719 10.411 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.073 12.139 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.291 12.826 2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.076 13.819 3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.444 13.167 4.212 1.00 0.00 H new ATOM 486 N SER A 33 -10.355 10.926 7.783 1.00 0.00 N ATOM 487 CA SER A 33 -11.138 9.936 8.503 1.00 0.00 C ATOM 488 C SER A 33 -12.569 10.442 8.699 1.00 0.00 C ATOM 489 O SER A 33 -12.800 11.648 8.766 1.00 0.00 O ATOM 490 CB SER A 33 -10.501 9.608 9.855 1.00 0.00 C ATOM 491 OG SER A 33 -10.320 10.772 10.657 1.00 0.00 O ATOM 0 H SER A 33 -10.103 11.750 8.329 1.00 0.00 H new ATOM 0 HA SER A 33 -11.161 9.021 7.911 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.129 8.895 10.388 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.537 9.125 9.694 1.00 0.00 H new ATOM 0 HG SER A 33 -9.913 10.520 11.512 1.00 0.00 H new ATOM 497 N ALA A 34 -13.491 9.495 8.787 1.00 0.00 N ATOM 498 CA ALA A 34 -14.890 9.829 8.986 1.00 0.00 C ATOM 499 C ALA A 34 -15.372 10.702 7.826 1.00 0.00 C ATOM 500 O ALA A 34 -15.260 11.925 7.876 1.00 0.00 O ATOM 501 CB ALA A 34 -15.063 10.515 10.343 1.00 0.00 C ATOM 0 H ALA A 34 -13.296 8.496 8.724 1.00 0.00 H new ATOM 0 HA ALA A 34 -15.502 8.927 8.996 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -16.113 10.766 10.493 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -14.734 9.842 11.135 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -14.465 11.426 10.369 1.00 0.00 H new ATOM 507 N ALA A 35 -15.899 10.038 6.807 1.00 0.00 N ATOM 508 CA ALA A 35 -16.390 10.737 5.632 1.00 0.00 C ATOM 509 C ALA A 35 -17.383 9.841 4.888 1.00 0.00 C ATOM 510 O ALA A 35 -17.015 9.162 3.931 1.00 0.00 O ATOM 511 CB ALA A 35 -15.209 11.152 4.753 1.00 0.00 C ATOM 0 H ALA A 35 -15.996 9.023 6.771 1.00 0.00 H new ATOM 0 HA ALA A 35 -16.917 11.646 5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -15.578 11.676 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.549 11.811 5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -14.657 10.265 4.443 1.00 0.00 H new ATOM 517 N ALA A 36 -18.622 9.868 5.357 1.00 0.00 N ATOM 518 CA ALA A 36 -19.669 9.064 4.751 1.00 0.00 C ATOM 519 C ALA A 36 -21.002 9.369 5.438 1.00 0.00 C ATOM 520 O ALA A 36 -21.137 9.192 6.647 1.00 0.00 O ATOM 521 CB ALA A 36 -19.293 7.584 4.842 1.00 0.00 C ATOM 0 H ALA A 36 -18.924 10.434 6.150 1.00 0.00 H new ATOM 0 HA ALA A 36 -19.778 9.309 3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -20.079 6.980 4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.354 7.414 4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -19.178 7.301 5.888 1.00 0.00 H new ATOM 527 N ALA A 37 -21.954 9.822 4.635 1.00 0.00 N ATOM 528 CA ALA A 37 -23.272 10.153 5.150 1.00 0.00 C ATOM 529 C ALA A 37 -24.008 8.864 5.521 1.00 0.00 C ATOM 530 O ALA A 37 -24.379 8.668 6.677 1.00 0.00 O ATOM 531 CB ALA A 37 -24.033 10.980 4.112 1.00 0.00 C ATOM 0 H ALA A 37 -21.839 9.967 3.632 1.00 0.00 H new ATOM 0 HA ALA A 37 -23.190 10.758 6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -25.022 11.228 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -23.483 11.898 3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -24.137 10.404 3.193 1.00 0.00 H new TER 537 ALA A 37 ATOM 538 N SER B 1 10.818 -4.580 -0.443 1.00 0.00 N ATOM 539 CA SER B 1 10.375 -3.747 0.662 1.00 0.00 C ATOM 540 C SER B 1 8.961 -3.229 0.392 1.00 0.00 C ATOM 541 O SER B 1 8.776 -2.054 0.077 1.00 0.00 O ATOM 542 CB SER B 1 11.335 -2.578 0.889 1.00 0.00 C ATOM 543 OG SER B 1 12.564 -3.001 1.471 1.00 0.00 O ATOM 0 H1 SER B 1 11.779 -4.928 -0.252 1.00 0.00 H new ATOM 0 H2 SER B 1 10.172 -5.388 -0.549 1.00 0.00 H new ATOM 0 H3 SER B 1 10.820 -4.021 -1.320 1.00 0.00 H new ATOM 0 HA SER B 1 10.366 -4.355 1.567 1.00 0.00 H new ATOM 0 HB2 SER B 1 11.535 -2.084 -0.062 1.00 0.00 H new ATOM 0 HB3 SER B 1 10.862 -1.841 1.538 1.00 0.00 H new ATOM 0 HG SER B 1 13.150 -2.226 1.598 1.00 0.00 H new ATOM 549 N ILE B 2 7.999 -4.130 0.527 1.00 0.00 N ATOM 550 CA ILE B 2 6.606 -3.776 0.312 1.00 0.00 C ATOM 551 C ILE B 2 5.922 -3.574 1.666 1.00 0.00 C ATOM 552 O ILE B 2 4.949 -4.257 1.981 1.00 0.00 O ATOM 553 CB ILE B 2 5.919 -4.816 -0.575 1.00 0.00 C ATOM 554 CG1 ILE B 2 6.820 -5.221 -1.743 1.00 0.00 C ATOM 555 CG2 ILE B 2 4.554 -4.314 -1.051 1.00 0.00 C ATOM 556 CD1 ILE B 2 6.158 -6.303 -2.597 1.00 0.00 C ATOM 0 H ILE B 2 8.157 -5.105 0.783 1.00 0.00 H new ATOM 0 HA ILE B 2 6.531 -2.832 -0.228 1.00 0.00 H new ATOM 0 HB ILE B 2 5.743 -5.711 0.021 1.00 0.00 H new ATOM 0 HG12 ILE B 2 7.037 -4.348 -2.359 1.00 0.00 H new ATOM 0 HG13 ILE B 2 7.773 -5.587 -1.362 1.00 0.00 H new ATOM 0 HG21 ILE B 2 4.087 -5.072 -1.680 1.00 0.00 H new ATOM 0 HG22 ILE B 2 3.918 -4.116 -0.188 1.00 0.00 H new ATOM 0 HG23 ILE B 2 4.684 -3.396 -1.625 1.00 0.00 H new ATOM 0 HD11 ILE B 2 6.820 -6.572 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE B 2 5.965 -7.183 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE B 2 5.217 -5.926 -2.997 1.00 0.00 H new ATOM 568 N THR B 3 6.458 -2.633 2.430 1.00 0.00 N ATOM 569 CA THR B 3 5.916 -2.339 3.745 1.00 0.00 C ATOM 570 C THR B 3 4.677 -1.449 3.625 1.00 0.00 C ATOM 571 O THR B 3 4.490 -0.773 2.614 1.00 0.00 O ATOM 572 CB THR B 3 7.031 -1.717 4.588 1.00 0.00 C ATOM 573 OG1 THR B 3 7.507 -0.636 3.791 1.00 0.00 O ATOM 574 CG2 THR B 3 8.244 -2.639 4.726 1.00 0.00 C ATOM 0 H THR B 3 7.262 -2.065 2.163 1.00 0.00 H new ATOM 0 HA THR B 3 5.578 -3.247 4.245 1.00 0.00 H new ATOM 0 HB THR B 3 6.645 -1.474 5.578 1.00 0.00 H new ATOM 0 HG1 THR B 3 7.420 0.202 4.291 1.00 0.00 H new ATOM 0 HG21 THR B 3 9.006 -2.150 5.333 1.00 0.00 H new ATOM 0 HG22 THR B 3 7.941 -3.570 5.205 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.651 -2.855 3.738 1.00 0.00 H new ATOM 582 N LYS B 4 3.864 -1.476 4.670 1.00 0.00 N ATOM 583 CA LYS B 4 2.661 -0.662 4.704 1.00 0.00 C ATOM 584 C LYS B 4 3.035 0.803 4.473 1.00 0.00 C ATOM 585 O LYS B 4 2.376 1.502 3.705 1.00 0.00 O ATOM 586 CB LYS B 4 1.888 -0.902 6.002 1.00 0.00 C ATOM 587 CG LYS B 4 0.885 -2.046 5.840 1.00 0.00 C ATOM 588 CD LYS B 4 1.561 -3.403 6.047 1.00 0.00 C ATOM 589 CE LYS B 4 1.674 -4.167 4.726 1.00 0.00 C ATOM 590 NZ LYS B 4 2.366 -5.459 4.932 1.00 0.00 N ATOM 0 H LYS B 4 4.015 -2.049 5.500 1.00 0.00 H new ATOM 0 HA LYS B 4 1.984 -0.949 3.899 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.585 -1.136 6.807 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.363 0.009 6.290 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.073 -1.927 6.558 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.440 -2.006 4.846 1.00 0.00 H new ATOM 0 HD2 LYS B 4 2.554 -3.257 6.473 1.00 0.00 H new ATOM 0 HD3 LYS B 4 0.990 -3.992 6.764 1.00 0.00 H new ATOM 0 HE2 LYS B 4 0.680 -4.342 4.314 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.220 -3.567 3.998 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.675 -5.837 4.014 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 3.194 -5.315 5.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 1.715 -6.133 5.383 1.00 0.00 H new ATOM 604 N ASP B 5 4.091 1.225 5.152 1.00 0.00 N ATOM 605 CA ASP B 5 4.520 2.612 5.083 1.00 0.00 C ATOM 606 C ASP B 5 4.809 2.980 3.627 1.00 0.00 C ATOM 607 O ASP B 5 4.423 4.053 3.166 1.00 0.00 O ATOM 608 CB ASP B 5 5.801 2.833 5.890 1.00 0.00 C ATOM 609 CG ASP B 5 5.592 3.057 7.388 1.00 0.00 C ATOM 610 OD1 ASP B 5 4.825 3.987 7.721 1.00 0.00 O ATOM 611 OD2 ASP B 5 6.202 2.294 8.167 1.00 0.00 O ATOM 0 H ASP B 5 4.663 0.631 5.753 1.00 0.00 H new ATOM 0 HA ASP B 5 3.723 3.232 5.494 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.451 1.969 5.755 1.00 0.00 H new ATOM 0 HB3 ASP B 5 6.327 3.695 5.479 1.00 0.00 H new ATOM 616 N GLN B 6 5.485 2.069 2.942 1.00 0.00 N ATOM 617 CA GLN B 6 5.850 2.295 1.554 1.00 0.00 C ATOM 618 C GLN B 6 4.599 2.541 0.709 1.00 0.00 C ATOM 619 O GLN B 6 4.657 3.236 -0.305 1.00 0.00 O ATOM 620 CB GLN B 6 6.662 1.121 1.003 1.00 0.00 C ATOM 621 CG GLN B 6 8.156 1.452 0.977 1.00 0.00 C ATOM 622 CD GLN B 6 8.693 1.671 2.393 1.00 0.00 C ATOM 623 OE1 GLN B 6 8.210 2.500 3.147 1.00 0.00 O ATOM 624 NE2 GLN B 6 9.717 0.883 2.711 1.00 0.00 N ATOM 0 H GLN B 6 5.789 1.173 3.323 1.00 0.00 H new ATOM 0 HA GLN B 6 6.478 3.184 1.504 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.492 0.237 1.617 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.322 0.880 -0.004 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.704 0.641 0.498 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.324 2.347 0.378 1.00 0.00 H new ATOM 0 HE21 GLN B 6 10.073 0.210 2.032 1.00 0.00 H new ATOM 0 HE22 GLN B 6 10.146 0.952 3.634 1.00 0.00 H new ATOM 633 N ILE B 7 3.497 1.958 1.157 1.00 0.00 N ATOM 634 CA ILE B 7 2.240 2.081 0.439 1.00 0.00 C ATOM 635 C ILE B 7 1.620 3.447 0.736 1.00 0.00 C ATOM 636 O ILE B 7 0.917 4.010 -0.103 1.00 0.00 O ATOM 637 CB ILE B 7 1.319 0.903 0.764 1.00 0.00 C ATOM 638 CG1 ILE B 7 1.885 -0.405 0.209 1.00 0.00 C ATOM 639 CG2 ILE B 7 -0.105 1.168 0.271 1.00 0.00 C ATOM 640 CD1 ILE B 7 1.334 -1.610 0.975 1.00 0.00 C ATOM 0 H ILE B 7 3.449 1.399 2.009 1.00 0.00 H new ATOM 0 HA ILE B 7 2.410 2.035 -0.637 1.00 0.00 H new ATOM 0 HB ILE B 7 1.269 0.797 1.848 1.00 0.00 H new ATOM 0 HG12 ILE B 7 1.633 -0.495 -0.848 1.00 0.00 H new ATOM 0 HG13 ILE B 7 2.973 -0.393 0.277 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.739 0.315 0.515 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.497 2.062 0.756 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.095 1.316 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE B 7 1.752 -2.527 0.560 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.609 -1.529 2.027 1.00 0.00 H new ATOM 0 HD13 ILE B 7 0.248 -1.633 0.884 1.00 0.00 H new ATOM 652 N ILE B 8 1.902 3.942 1.932 1.00 0.00 N ATOM 653 CA ILE B 8 1.378 5.231 2.351 1.00 0.00 C ATOM 654 C ILE B 8 1.847 6.310 1.373 1.00 0.00 C ATOM 655 O ILE B 8 1.039 7.088 0.867 1.00 0.00 O ATOM 656 CB ILE B 8 1.755 5.515 3.806 1.00 0.00 C ATOM 657 CG1 ILE B 8 1.292 4.382 4.724 1.00 0.00 C ATOM 658 CG2 ILE B 8 1.217 6.874 4.257 1.00 0.00 C ATOM 659 CD1 ILE B 8 -0.227 4.212 4.662 1.00 0.00 C ATOM 0 H ILE B 8 2.487 3.474 2.624 1.00 0.00 H new ATOM 0 HA ILE B 8 0.288 5.226 2.323 1.00 0.00 H new ATOM 0 HB ILE B 8 2.842 5.561 3.874 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.778 3.451 4.432 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.596 4.592 5.749 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.499 7.051 5.295 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.637 7.659 3.628 1.00 0.00 H new ATOM 0 HG23 ILE B 8 0.131 6.882 4.170 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.530 3.400 5.324 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -0.710 5.137 4.978 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.525 3.978 3.640 1.00 0.00 H new ATOM 671 N GLU B 9 3.150 6.322 1.135 1.00 0.00 N ATOM 672 CA GLU B 9 3.740 7.310 0.247 1.00 0.00 C ATOM 673 C GLU B 9 3.390 6.992 -1.208 1.00 0.00 C ATOM 674 O GLU B 9 3.550 7.837 -2.087 1.00 0.00 O ATOM 675 CB GLU B 9 5.255 7.387 0.443 1.00 0.00 C ATOM 676 CG GLU B 9 5.941 6.123 -0.078 1.00 0.00 C ATOM 677 CD GLU B 9 7.455 6.195 0.128 1.00 0.00 C ATOM 678 OE1 GLU B 9 7.858 6.539 1.260 1.00 0.00 O ATOM 679 OE2 GLU B 9 8.176 5.905 -0.851 1.00 0.00 O ATOM 0 H GLU B 9 3.814 5.663 1.542 1.00 0.00 H new ATOM 0 HA GLU B 9 3.325 8.287 0.494 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.649 8.260 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.482 7.518 1.501 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.542 5.250 0.438 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.720 5.996 -1.138 1.00 0.00 H new ATOM 686 N ALA B 10 2.920 5.771 -1.417 1.00 0.00 N ATOM 687 CA ALA B 10 2.579 5.319 -2.755 1.00 0.00 C ATOM 688 C ALA B 10 1.266 5.975 -3.190 1.00 0.00 C ATOM 689 O ALA B 10 1.079 6.274 -4.369 1.00 0.00 O ATOM 690 CB ALA B 10 2.502 3.791 -2.775 1.00 0.00 C ATOM 0 H ALA B 10 2.767 5.081 -0.682 1.00 0.00 H new ATOM 0 HA ALA B 10 3.349 5.615 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.246 3.453 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.467 3.374 -2.487 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.738 3.456 -2.074 1.00 0.00 H new ATOM 696 N VAL B 11 0.392 6.179 -2.216 1.00 0.00 N ATOM 697 CA VAL B 11 -0.893 6.802 -2.482 1.00 0.00 C ATOM 698 C VAL B 11 -0.708 8.318 -2.584 1.00 0.00 C ATOM 699 O VAL B 11 -1.472 8.994 -3.271 1.00 0.00 O ATOM 700 CB VAL B 11 -1.904 6.395 -1.408 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.129 7.312 -1.432 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.314 4.930 -1.569 1.00 0.00 C ATOM 0 H VAL B 11 0.549 5.924 -1.241 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.294 6.458 -3.435 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.422 6.504 -0.436 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.832 7.001 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.818 8.340 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.611 7.249 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -3.033 4.666 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.768 4.785 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.434 4.294 -1.479 1.00 0.00 H new ATOM 712 N ALA B 12 0.310 8.806 -1.891 1.00 0.00 N ATOM 713 CA ALA B 12 0.604 10.229 -1.895 1.00 0.00 C ATOM 714 C ALA B 12 1.480 10.560 -3.105 1.00 0.00 C ATOM 715 O ALA B 12 1.884 11.707 -3.288 1.00 0.00 O ATOM 716 CB ALA B 12 1.267 10.617 -0.572 1.00 0.00 C ATOM 0 H ALA B 12 0.942 8.241 -1.323 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.314 10.811 -1.983 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.488 11.684 -0.575 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.593 10.388 0.254 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.193 10.055 -0.451 1.00 0.00 H new ATOM 722 N ALA B 13 1.746 9.535 -3.901 1.00 0.00 N ATOM 723 CA ALA B 13 2.573 9.702 -5.084 1.00 0.00 C ATOM 724 C ALA B 13 1.673 9.896 -6.307 1.00 0.00 C ATOM 725 O ALA B 13 2.079 10.517 -7.288 1.00 0.00 O ATOM 726 CB ALA B 13 3.504 8.496 -5.231 1.00 0.00 C ATOM 0 H ALA B 13 1.404 8.586 -3.750 1.00 0.00 H new ATOM 0 HA ALA B 13 3.200 10.589 -4.992 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.124 8.621 -6.118 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.142 8.419 -4.350 1.00 0.00 H new ATOM 0 HB3 ALA B 13 2.910 7.587 -5.329 1.00 0.00 H new ATOM 732 N MET B 14 0.469 9.353 -6.207 1.00 0.00 N ATOM 733 CA MET B 14 -0.485 9.443 -7.299 1.00 0.00 C ATOM 734 C MET B 14 -1.467 10.595 -7.076 1.00 0.00 C ATOM 735 O MET B 14 -1.513 11.174 -5.991 1.00 0.00 O ATOM 736 CB MET B 14 -1.259 8.128 -7.412 1.00 0.00 C ATOM 737 CG MET B 14 -0.303 6.939 -7.539 1.00 0.00 C ATOM 738 SD MET B 14 -1.118 5.587 -8.371 1.00 0.00 S ATOM 739 CE MET B 14 -1.800 4.723 -6.966 1.00 0.00 C ATOM 0 H MET B 14 0.132 8.849 -5.387 1.00 0.00 H new ATOM 0 HA MET B 14 0.065 9.632 -8.221 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.892 7.998 -6.535 1.00 0.00 H new ATOM 0 HB3 MET B 14 -1.919 8.163 -8.279 1.00 0.00 H new ATOM 0 HG2 MET B 14 0.587 7.235 -8.094 1.00 0.00 H new ATOM 0 HG3 MET B 14 0.029 6.621 -6.551 1.00 0.00 H new ATOM 0 HE1 MET B 14 -2.346 3.844 -7.309 1.00 0.00 H new ATOM 0 HE2 MET B 14 -0.993 4.412 -6.303 1.00 0.00 H new ATOM 0 HE3 MET B 14 -2.478 5.384 -6.427 1.00 0.00 H new ATOM 749 N SER B 15 -2.227 10.894 -8.119 1.00 0.00 N ATOM 750 CA SER B 15 -3.185 11.985 -8.059 1.00 0.00 C ATOM 751 C SER B 15 -4.427 11.549 -7.281 1.00 0.00 C ATOM 752 O SER B 15 -4.686 10.355 -7.136 1.00 0.00 O ATOM 753 CB SER B 15 -3.574 12.453 -9.463 1.00 0.00 C ATOM 754 OG SER B 15 -3.404 11.425 -10.435 1.00 0.00 O ATOM 0 H SER B 15 -2.199 10.400 -9.011 1.00 0.00 H new ATOM 0 HA SER B 15 -2.717 12.823 -7.542 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.613 12.781 -9.461 1.00 0.00 H new ATOM 0 HB3 SER B 15 -2.968 13.316 -9.738 1.00 0.00 H new ATOM 0 HG SER B 15 -2.465 11.389 -10.713 1.00 0.00 H new ATOM 760 N VAL B 16 -5.164 12.540 -6.800 1.00 0.00 N ATOM 761 CA VAL B 16 -6.375 12.273 -6.043 1.00 0.00 C ATOM 762 C VAL B 16 -7.306 11.388 -6.874 1.00 0.00 C ATOM 763 O VAL B 16 -7.864 10.418 -6.364 1.00 0.00 O ATOM 764 CB VAL B 16 -7.025 13.590 -5.616 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.354 13.339 -4.900 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.077 14.412 -4.740 1.00 0.00 C ATOM 0 H VAL B 16 -4.945 13.529 -6.920 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.142 11.729 -5.128 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.233 14.167 -6.517 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.795 14.292 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.035 12.815 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.180 12.732 -4.012 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.564 15.343 -4.451 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -5.822 13.843 -3.846 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.168 14.636 -5.298 1.00 0.00 H new ATOM 776 N MET B 17 -7.445 11.755 -8.140 1.00 0.00 N ATOM 777 CA MET B 17 -8.311 11.015 -9.042 1.00 0.00 C ATOM 778 C MET B 17 -7.934 9.533 -9.073 1.00 0.00 C ATOM 779 O MET B 17 -8.801 8.666 -8.985 1.00 0.00 O ATOM 780 CB MET B 17 -8.199 11.600 -10.451 1.00 0.00 C ATOM 781 CG MET B 17 -9.232 12.708 -10.669 1.00 0.00 C ATOM 782 SD MET B 17 -8.722 13.762 -12.016 1.00 0.00 S ATOM 783 CE MET B 17 -7.674 14.907 -11.135 1.00 0.00 C ATOM 0 H MET B 17 -6.973 12.555 -8.562 1.00 0.00 H new ATOM 0 HA MET B 17 -9.337 11.101 -8.683 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.196 11.998 -10.605 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.345 10.811 -11.189 1.00 0.00 H new ATOM 0 HG2 MET B 17 -10.206 12.270 -10.888 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.344 13.296 -9.758 1.00 0.00 H new ATOM 0 HE1 MET B 17 -7.269 15.640 -11.833 1.00 0.00 H new ATOM 0 HE2 MET B 17 -8.257 15.418 -10.369 1.00 0.00 H new ATOM 0 HE3 MET B 17 -6.855 14.363 -10.665 1.00 0.00 H new ATOM 793 N ASP B 18 -6.638 9.288 -9.199 1.00 0.00 N ATOM 794 CA ASP B 18 -6.138 7.926 -9.281 1.00 0.00 C ATOM 795 C ASP B 18 -6.493 7.179 -7.994 1.00 0.00 C ATOM 796 O ASP B 18 -6.626 5.956 -7.998 1.00 0.00 O ATOM 797 CB ASP B 18 -4.616 7.906 -9.435 1.00 0.00 C ATOM 798 CG ASP B 18 -4.030 6.569 -9.893 1.00 0.00 C ATOM 799 OD1 ASP B 18 -4.163 5.596 -9.120 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.462 6.550 -11.006 1.00 0.00 O ATOM 0 H ASP B 18 -5.919 10.010 -9.246 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.594 7.451 -10.150 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.328 8.676 -10.151 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.166 8.175 -8.479 1.00 0.00 H new ATOM 805 N VAL B 19 -6.637 7.945 -6.923 1.00 0.00 N ATOM 806 CA VAL B 19 -6.928 7.367 -5.622 1.00 0.00 C ATOM 807 C VAL B 19 -8.432 7.106 -5.510 1.00 0.00 C ATOM 808 O VAL B 19 -8.856 6.190 -4.808 1.00 0.00 O ATOM 809 CB VAL B 19 -6.396 8.276 -4.513 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.880 7.808 -3.140 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.868 8.358 -4.558 1.00 0.00 C ATOM 0 H VAL B 19 -6.558 8.962 -6.929 1.00 0.00 H new ATOM 0 HA VAL B 19 -6.421 6.409 -5.509 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.791 9.278 -4.683 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.487 8.472 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.970 7.826 -3.113 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.529 6.792 -2.957 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.515 9.010 -3.759 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.446 7.362 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.553 8.760 -5.521 1.00 0.00 H new ATOM 821 N VAL B 20 -9.197 7.928 -6.214 1.00 0.00 N ATOM 822 CA VAL B 20 -10.640 7.766 -6.243 1.00 0.00 C ATOM 823 C VAL B 20 -10.991 6.493 -7.016 1.00 0.00 C ATOM 824 O VAL B 20 -11.858 5.727 -6.597 1.00 0.00 O ATOM 825 CB VAL B 20 -11.296 9.019 -6.827 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.792 8.798 -7.059 1.00 0.00 C ATOM 827 CG2 VAL B 20 -11.054 10.233 -5.928 1.00 0.00 C ATOM 0 H VAL B 20 -8.844 8.708 -6.768 1.00 0.00 H new ATOM 0 HA VAL B 20 -11.031 7.651 -5.232 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.834 9.220 -7.794 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -13.234 9.704 -7.474 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.934 7.972 -7.756 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.276 8.560 -6.112 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.530 11.110 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.477 10.045 -4.941 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.982 10.410 -5.836 1.00 0.00 H new ATOM 837 N GLU B 21 -10.300 6.305 -8.130 1.00 0.00 N ATOM 838 CA GLU B 21 -10.500 5.119 -8.945 1.00 0.00 C ATOM 839 C GLU B 21 -10.023 3.874 -8.195 1.00 0.00 C ATOM 840 O GLU B 21 -10.705 2.850 -8.187 1.00 0.00 O ATOM 841 CB GLU B 21 -9.789 5.253 -10.293 1.00 0.00 C ATOM 842 CG GLU B 21 -10.558 6.189 -11.228 1.00 0.00 C ATOM 843 CD GLU B 21 -9.886 6.267 -12.600 1.00 0.00 C ATOM 844 OE1 GLU B 21 -8.669 6.553 -12.621 1.00 0.00 O ATOM 845 OE2 GLU B 21 -10.604 6.040 -13.597 1.00 0.00 O ATOM 0 H GLU B 21 -9.600 6.955 -8.488 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.567 5.014 -9.144 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.780 5.635 -10.139 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.691 4.271 -10.756 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.583 5.835 -11.341 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.611 7.185 -10.788 1.00 0.00 H new ATOM 852 N LEU B 22 -8.855 4.002 -7.583 1.00 0.00 N ATOM 853 CA LEU B 22 -8.290 2.908 -6.811 1.00 0.00 C ATOM 854 C LEU B 22 -9.312 2.441 -5.773 1.00 0.00 C ATOM 855 O LEU B 22 -9.765 1.298 -5.813 1.00 0.00 O ATOM 856 CB LEU B 22 -6.944 3.315 -6.209 1.00 0.00 C ATOM 857 CG LEU B 22 -6.144 2.198 -5.537 1.00 0.00 C ATOM 858 CD1 LEU B 22 -4.640 2.424 -5.703 1.00 0.00 C ATOM 859 CD2 LEU B 22 -6.542 2.046 -4.067 1.00 0.00 C ATOM 0 H LEU B 22 -8.284 4.847 -7.606 1.00 0.00 H new ATOM 0 HA LEU B 22 -8.079 2.056 -7.457 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.331 3.748 -6.999 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.120 4.101 -5.475 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.385 1.259 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.095 1.616 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -4.390 2.443 -6.764 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.362 3.375 -5.248 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -5.958 1.245 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -6.349 2.980 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.603 1.804 -4.000 1.00 0.00 H new ATOM 871 N ILE B 23 -9.646 3.349 -4.868 1.00 0.00 N ATOM 872 CA ILE B 23 -10.597 3.041 -3.813 1.00 0.00 C ATOM 873 C ILE B 23 -11.832 2.377 -4.425 1.00 0.00 C ATOM 874 O ILE B 23 -12.255 1.312 -3.976 1.00 0.00 O ATOM 875 CB ILE B 23 -10.914 4.294 -2.995 1.00 0.00 C ATOM 876 CG1 ILE B 23 -9.730 4.684 -2.108 1.00 0.00 C ATOM 877 CG2 ILE B 23 -12.200 4.110 -2.187 1.00 0.00 C ATOM 878 CD1 ILE B 23 -9.615 3.746 -0.904 1.00 0.00 C ATOM 0 H ILE B 23 -9.275 4.299 -4.843 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.168 2.329 -3.108 1.00 0.00 H new ATOM 0 HB ILE B 23 -11.083 5.120 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.809 4.650 -2.689 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -9.852 5.711 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -12.403 5.015 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -13.031 3.916 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -12.084 3.268 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -8.766 4.045 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -10.528 3.801 -0.312 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -9.469 2.723 -1.252 1.00 0.00 H new ATOM 890 N SER B 24 -12.376 3.032 -5.440 1.00 0.00 N ATOM 891 CA SER B 24 -13.578 2.540 -6.091 1.00 0.00 C ATOM 892 C SER B 24 -13.365 1.100 -6.564 1.00 0.00 C ATOM 893 O SER B 24 -14.279 0.280 -6.498 1.00 0.00 O ATOM 894 CB SER B 24 -13.971 3.433 -7.269 1.00 0.00 C ATOM 895 OG SER B 24 -14.850 4.482 -6.873 1.00 0.00 O ATOM 0 H SER B 24 -12.006 3.900 -5.828 1.00 0.00 H new ATOM 0 HA SER B 24 -14.392 2.561 -5.367 1.00 0.00 H new ATOM 0 HB2 SER B 24 -13.073 3.861 -7.715 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.451 2.828 -8.038 1.00 0.00 H new ATOM 0 HG SER B 24 -15.076 5.031 -7.653 1.00 0.00 H new ATOM 901 N ALA B 25 -12.153 0.837 -7.029 1.00 0.00 N ATOM 902 CA ALA B 25 -11.815 -0.483 -7.532 1.00 0.00 C ATOM 903 C ALA B 25 -11.983 -1.510 -6.409 1.00 0.00 C ATOM 904 O ALA B 25 -12.852 -2.377 -6.481 1.00 0.00 O ATOM 905 CB ALA B 25 -10.393 -0.466 -8.098 1.00 0.00 C ATOM 0 H ALA B 25 -11.393 1.516 -7.068 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.485 -0.768 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.140 -1.457 -8.475 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.333 0.258 -8.911 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.692 -0.187 -7.312 1.00 0.00 H new ATOM 911 N MET B 26 -11.137 -1.377 -5.398 1.00 0.00 N ATOM 912 CA MET B 26 -11.164 -2.297 -4.274 1.00 0.00 C ATOM 913 C MET B 26 -12.584 -2.448 -3.724 1.00 0.00 C ATOM 914 O MET B 26 -13.004 -3.550 -3.374 1.00 0.00 O ATOM 915 CB MET B 26 -10.241 -1.781 -3.169 1.00 0.00 C ATOM 916 CG MET B 26 -8.773 -1.892 -3.585 1.00 0.00 C ATOM 917 SD MET B 26 -7.733 -1.087 -2.378 1.00 0.00 S ATOM 918 CE MET B 26 -8.125 -2.059 -0.933 1.00 0.00 C ATOM 0 H MET B 26 -10.429 -0.646 -5.334 1.00 0.00 H new ATOM 0 HA MET B 26 -10.822 -3.273 -4.619 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.482 -0.742 -2.945 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.408 -2.351 -2.255 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.491 -2.941 -3.678 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.628 -1.435 -4.564 1.00 0.00 H new ATOM 0 HE1 MET B 26 -7.371 -1.888 -0.164 1.00 0.00 H new ATOM 0 HE2 MET B 26 -9.104 -1.767 -0.553 1.00 0.00 H new ATOM 0 HE3 MET B 26 -8.139 -3.116 -1.198 1.00 0.00 H new ATOM 928 N GLU B 27 -13.284 -1.325 -3.664 1.00 0.00 N ATOM 929 CA GLU B 27 -14.644 -1.317 -3.153 1.00 0.00 C ATOM 930 C GLU B 27 -15.480 -2.392 -3.850 1.00 0.00 C ATOM 931 O GLU B 27 -16.237 -3.113 -3.202 1.00 0.00 O ATOM 932 CB GLU B 27 -15.283 0.064 -3.315 1.00 0.00 C ATOM 933 CG GLU B 27 -15.067 0.918 -2.063 1.00 0.00 C ATOM 934 CD GLU B 27 -15.802 2.255 -2.178 1.00 0.00 C ATOM 935 OE1 GLU B 27 -15.498 2.989 -3.144 1.00 0.00 O ATOM 936 OE2 GLU B 27 -16.651 2.514 -1.298 1.00 0.00 O ATOM 0 H GLU B 27 -12.935 -0.414 -3.961 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.611 -1.544 -2.087 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.855 0.568 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.351 -0.045 -3.505 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -15.421 0.378 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -14.001 1.096 -1.919 1.00 0.00 H new ATOM 943 N GLU B 28 -15.314 -2.466 -5.163 1.00 0.00 N ATOM 944 CA GLU B 28 -16.067 -3.420 -5.959 1.00 0.00 C ATOM 945 C GLU B 28 -15.447 -4.814 -5.844 1.00 0.00 C ATOM 946 O GLU B 28 -16.156 -5.796 -5.625 1.00 0.00 O ATOM 947 CB GLU B 28 -16.144 -2.973 -7.421 1.00 0.00 C ATOM 948 CG GLU B 28 -17.304 -3.662 -8.144 1.00 0.00 C ATOM 949 CD GLU B 28 -16.978 -3.876 -9.623 1.00 0.00 C ATOM 950 OE1 GLU B 28 -17.153 -2.905 -10.390 1.00 0.00 O ATOM 951 OE2 GLU B 28 -16.561 -5.007 -9.954 1.00 0.00 O ATOM 0 H GLU B 28 -14.669 -1.881 -5.695 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.085 -3.464 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.272 -1.892 -7.468 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.206 -3.205 -7.926 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -17.513 -4.622 -7.671 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.206 -3.057 -8.050 1.00 0.00 H new ATOM 958 N LYS B 29 -14.132 -4.857 -5.996 1.00 0.00 N ATOM 959 CA LYS B 29 -13.414 -6.119 -5.948 1.00 0.00 C ATOM 960 C LYS B 29 -13.740 -6.837 -4.637 1.00 0.00 C ATOM 961 O LYS B 29 -14.363 -7.897 -4.645 1.00 0.00 O ATOM 962 CB LYS B 29 -11.917 -5.892 -6.170 1.00 0.00 C ATOM 963 CG LYS B 29 -11.137 -7.200 -6.026 1.00 0.00 C ATOM 964 CD LYS B 29 -10.990 -7.902 -7.378 1.00 0.00 C ATOM 965 CE LYS B 29 -10.336 -9.275 -7.214 1.00 0.00 C ATOM 966 NZ LYS B 29 -11.221 -10.337 -7.742 1.00 0.00 N ATOM 0 H LYS B 29 -13.545 -4.038 -6.153 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.737 -6.773 -6.758 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -11.752 -5.474 -7.163 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.546 -5.162 -5.451 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.151 -6.996 -5.609 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.650 -7.858 -5.324 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -11.970 -8.015 -7.842 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.389 -7.287 -8.048 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.381 -9.295 -7.739 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.124 -9.460 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.762 -11.263 -7.623 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.122 -10.328 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.402 -10.168 -8.752 1.00 0.00 H new ATOM 980 N PHE B 30 -13.304 -6.230 -3.543 1.00 0.00 N ATOM 981 CA PHE B 30 -13.515 -6.813 -2.229 1.00 0.00 C ATOM 982 C PHE B 30 -14.975 -6.671 -1.794 1.00 0.00 C ATOM 983 O PHE B 30 -15.360 -7.155 -0.731 1.00 0.00 O ATOM 984 CB PHE B 30 -12.626 -6.044 -1.250 1.00 0.00 C ATOM 985 CG PHE B 30 -11.133 -6.345 -1.397 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.591 -7.423 -0.769 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.348 -5.535 -2.157 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.205 -7.701 -0.905 1.00 0.00 C ATOM 989 CE2 PHE B 30 -8.962 -5.814 -2.293 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.420 -6.891 -1.665 1.00 0.00 C ATOM 0 H PHE B 30 -12.805 -5.340 -3.540 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.272 -7.875 -2.250 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -12.786 -4.975 -1.392 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -12.935 -6.280 -0.232 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -11.215 -8.067 -0.167 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.778 -4.680 -2.657 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.774 -8.556 -0.405 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.338 -5.170 -2.896 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.366 -7.103 -1.770 1.00 0.00 H new ATOM 1000 N GLY B 31 -15.748 -6.003 -2.638 1.00 0.00 N ATOM 1001 CA GLY B 31 -17.160 -5.802 -2.361 1.00 0.00 C ATOM 1002 C GLY B 31 -17.370 -5.280 -0.938 1.00 0.00 C ATOM 1003 O GLY B 31 -18.087 -5.892 -0.148 1.00 0.00 O ATOM 0 H GLY B 31 -15.423 -5.594 -3.514 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -17.578 -5.094 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -17.697 -6.742 -2.491 1.00 0.00 H new ATOM 1007 N VAL B 32 -16.731 -4.154 -0.654 1.00 0.00 N ATOM 1008 CA VAL B 32 -16.866 -3.525 0.648 1.00 0.00 C ATOM 1009 C VAL B 32 -17.293 -2.067 0.463 1.00 0.00 C ATOM 1010 O VAL B 32 -16.549 -1.150 0.808 1.00 0.00 O ATOM 1011 CB VAL B 32 -15.564 -3.670 1.438 1.00 0.00 C ATOM 1012 CG1 VAL B 32 -15.620 -2.871 2.741 1.00 0.00 C ATOM 1013 CG2 VAL B 32 -15.249 -5.143 1.710 1.00 0.00 C ATOM 0 H VAL B 32 -16.118 -3.662 -1.304 1.00 0.00 H new ATOM 0 HA VAL B 32 -17.642 -4.020 1.232 1.00 0.00 H new ATOM 0 HB VAL B 32 -14.757 -3.261 0.830 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -14.682 -2.992 3.283 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -15.775 -1.816 2.515 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -16.443 -3.235 3.356 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -14.319 -5.218 2.273 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -16.059 -5.588 2.287 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -15.144 -5.673 0.764 1.00 0.00 H new ATOM 1023 N SER B 33 -18.490 -1.899 -0.081 1.00 0.00 N ATOM 1024 CA SER B 33 -19.028 -0.569 -0.307 1.00 0.00 C ATOM 1025 C SER B 33 -20.129 -0.270 0.712 1.00 0.00 C ATOM 1026 O SER B 33 -21.312 -0.281 0.375 1.00 0.00 O ATOM 1027 CB SER B 33 -19.571 -0.429 -1.731 1.00 0.00 C ATOM 1028 OG SER B 33 -19.713 0.935 -2.116 1.00 0.00 O ATOM 0 H SER B 33 -19.102 -2.662 -0.371 1.00 0.00 H new ATOM 0 HA SER B 33 -18.220 0.152 -0.182 1.00 0.00 H new ATOM 0 HB2 SER B 33 -18.900 -0.934 -2.426 1.00 0.00 H new ATOM 0 HB3 SER B 33 -20.537 -0.928 -1.801 1.00 0.00 H new ATOM 0 HG SER B 33 -20.060 0.982 -3.031 1.00 0.00 H new ATOM 1034 N ALA B 34 -19.701 -0.009 1.939 1.00 0.00 N ATOM 1035 CA ALA B 34 -20.636 0.288 3.011 1.00 0.00 C ATOM 1036 C ALA B 34 -20.321 1.670 3.588 1.00 0.00 C ATOM 1037 O ALA B 34 -19.946 1.789 4.753 1.00 0.00 O ATOM 1038 CB ALA B 34 -20.568 -0.815 4.068 1.00 0.00 C ATOM 0 H ALA B 34 -18.719 0.003 2.214 1.00 0.00 H new ATOM 0 HA ALA B 34 -21.658 0.314 2.633 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -21.269 -0.592 4.872 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -20.829 -1.771 3.614 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -19.557 -0.869 4.473 1.00 0.00 H new ATOM 1044 N ALA B 35 -20.486 2.679 2.746 1.00 0.00 N ATOM 1045 CA ALA B 35 -20.219 4.047 3.157 1.00 0.00 C ATOM 1046 C ALA B 35 -20.547 4.995 2.001 1.00 0.00 C ATOM 1047 O ALA B 35 -19.646 5.543 1.368 1.00 0.00 O ATOM 1048 CB ALA B 35 -18.764 4.168 3.615 1.00 0.00 C ATOM 0 H ALA B 35 -20.801 2.577 1.781 1.00 0.00 H new ATOM 0 HA ALA B 35 -20.851 4.325 4.001 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -18.564 5.194 3.923 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -18.590 3.496 4.455 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -18.100 3.900 2.793 1.00 0.00 H new ATOM 1054 N ALA B 36 -21.840 5.159 1.761 1.00 0.00 N ATOM 1055 CA ALA B 36 -22.297 6.023 0.686 1.00 0.00 C ATOM 1056 C ALA B 36 -21.781 5.485 -0.650 1.00 0.00 C ATOM 1057 O ALA B 36 -20.755 4.809 -0.696 1.00 0.00 O ATOM 1058 CB ALA B 36 -21.838 7.458 0.953 1.00 0.00 C ATOM 0 H ALA B 36 -22.585 4.708 2.292 1.00 0.00 H new ATOM 0 HA ALA B 36 -23.386 6.033 0.639 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -22.181 8.106 0.146 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -22.256 7.804 1.899 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -20.750 7.488 1.005 1.00 0.00 H new ATOM 1064 N ALA B 37 -22.517 5.805 -1.704 1.00 0.00 N ATOM 1065 CA ALA B 37 -22.145 5.363 -3.038 1.00 0.00 C ATOM 1066 C ALA B 37 -20.985 6.219 -3.549 1.00 0.00 C ATOM 1067 O ALA B 37 -21.075 7.446 -3.568 1.00 0.00 O ATOM 1068 CB ALA B 37 -23.367 5.429 -3.956 1.00 0.00 C ATOM 0 H ALA B 37 -23.369 6.365 -1.662 1.00 0.00 H new ATOM 0 HA ALA B 37 -21.807 4.327 -3.019 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -23.089 5.098 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -24.152 4.782 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -23.732 6.455 -4.002 1.00 0.00 H new TER 1074 ALA B 37