USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=13 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 1 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 6 GLN : amide:sc= -0.017 K(o=-0.017,f=-0.73) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0583 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 86:sc= 0.129 USER MOD Single : A 26 MET CE :methyl 156:sc= -3.5! (180deg=-5.85!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 3 THR OG1 : rot 180:sc= -0.286 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 GLN : amide:sc= -0.0696 K(o=-0.07,f=0.5) USER MOD Single : B 14 MET CE :methyl -152:sc= -0.135 (180deg=-0.792) USER MOD Single : B 15 SER OG : rot 180:sc= 0.0885 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 88:sc= 0.158 USER MOD Single : B 26 MET CE :methyl 159:sc= -3.24! (180deg=-4.76!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot -140:sc= -0.0517 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.671 -1.778 -12.842 1.00 0.00 N ATOM 2 CA SER A 1 4.261 -2.110 -12.947 1.00 0.00 C ATOM 3 C SER A 1 3.518 -1.641 -11.695 1.00 0.00 C ATOM 4 O SER A 1 3.105 -2.456 -10.872 1.00 0.00 O ATOM 5 CB SER A 1 4.063 -3.614 -13.149 1.00 0.00 C ATOM 6 OG SER A 1 2.802 -3.912 -13.741 1.00 0.00 O ATOM 0 H1 SER A 1 6.168 -2.100 -13.697 1.00 0.00 H new ATOM 0 H2 SER A 1 5.779 -0.748 -12.746 1.00 0.00 H new ATOM 0 H3 SER A 1 6.077 -2.248 -12.008 1.00 0.00 H new ATOM 0 HA SER A 1 3.853 -1.597 -13.818 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.861 -4.003 -13.781 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.141 -4.122 -12.188 1.00 0.00 H new ATOM 0 HG SER A 1 2.832 -4.805 -14.143 1.00 0.00 H new ATOM 12 N ILE A 2 3.370 -0.328 -11.590 1.00 0.00 N ATOM 13 CA ILE A 2 2.676 0.259 -10.457 1.00 0.00 C ATOM 14 C ILE A 2 1.300 0.754 -10.908 1.00 0.00 C ATOM 15 O ILE A 2 1.006 1.945 -10.822 1.00 0.00 O ATOM 16 CB ILE A 2 3.536 1.343 -9.805 1.00 0.00 C ATOM 17 CG1 ILE A 2 5.005 0.920 -9.752 1.00 0.00 C ATOM 18 CG2 ILE A 2 2.996 1.714 -8.423 1.00 0.00 C ATOM 19 CD1 ILE A 2 5.875 2.031 -9.161 1.00 0.00 C ATOM 0 H ILE A 2 3.719 0.346 -12.272 1.00 0.00 H new ATOM 0 HA ILE A 2 2.508 -0.490 -9.683 1.00 0.00 H new ATOM 0 HB ILE A 2 3.482 2.239 -10.423 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.105 0.016 -9.151 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.353 0.676 -10.756 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.626 2.487 -7.982 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.977 2.088 -8.519 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.000 0.832 -7.782 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.914 1.704 -9.135 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.791 2.926 -9.778 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.540 2.256 -8.148 1.00 0.00 H new ATOM 31 N THR A 3 0.494 -0.186 -11.379 1.00 0.00 N ATOM 32 CA THR A 3 -0.845 0.139 -11.841 1.00 0.00 C ATOM 33 C THR A 3 -1.852 0.000 -10.697 1.00 0.00 C ATOM 34 O THR A 3 -1.582 -0.677 -9.706 1.00 0.00 O ATOM 35 CB THR A 3 -1.162 -0.757 -13.040 1.00 0.00 C ATOM 36 OG1 THR A 3 -0.848 -2.070 -12.586 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.204 -0.528 -14.211 1.00 0.00 C ATOM 0 H THR A 3 0.742 -1.173 -11.451 1.00 0.00 H new ATOM 0 HA THR A 3 -0.910 1.177 -12.166 1.00 0.00 H new ATOM 0 HB THR A 3 -2.186 -0.576 -13.368 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.026 -2.715 -13.302 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.473 -1.188 -15.035 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.272 0.509 -14.540 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.817 -0.741 -13.893 1.00 0.00 H new ATOM 45 N LYS A 4 -2.991 0.653 -10.872 1.00 0.00 N ATOM 46 CA LYS A 4 -4.042 0.608 -9.869 1.00 0.00 C ATOM 47 C LYS A 4 -4.429 -0.849 -9.608 1.00 0.00 C ATOM 48 O LYS A 4 -4.546 -1.267 -8.457 1.00 0.00 O ATOM 49 CB LYS A 4 -5.219 1.492 -10.285 1.00 0.00 C ATOM 50 CG LYS A 4 -4.961 2.956 -9.922 1.00 0.00 C ATOM 51 CD LYS A 4 -6.010 3.872 -10.556 1.00 0.00 C ATOM 52 CE LYS A 4 -5.614 4.252 -11.984 1.00 0.00 C ATOM 53 NZ LYS A 4 -6.707 3.930 -12.928 1.00 0.00 N ATOM 0 H LYS A 4 -3.210 1.217 -11.694 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.685 1.018 -8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.383 1.403 -11.359 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.129 1.147 -9.794 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.977 3.074 -8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.967 3.248 -10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.978 3.371 -10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.123 4.774 -9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.385 5.317 -12.033 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.708 3.718 -12.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.422 4.194 -13.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.907 2.910 -12.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.562 4.459 -12.663 1.00 0.00 H new ATOM 67 N ASP A 5 -4.617 -1.582 -10.695 1.00 0.00 N ATOM 68 CA ASP A 5 -5.021 -2.974 -10.598 1.00 0.00 C ATOM 69 C ASP A 5 -3.992 -3.743 -9.767 1.00 0.00 C ATOM 70 O ASP A 5 -4.357 -4.559 -8.922 1.00 0.00 O ATOM 71 CB ASP A 5 -5.092 -3.624 -11.982 1.00 0.00 C ATOM 72 CG ASP A 5 -6.416 -3.426 -12.722 1.00 0.00 C ATOM 73 OD1 ASP A 5 -7.427 -3.192 -12.025 1.00 0.00 O ATOM 74 OD2 ASP A 5 -6.388 -3.513 -13.969 1.00 0.00 O ATOM 0 H ASP A 5 -4.497 -1.238 -11.648 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.006 -3.008 -10.132 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.286 -3.223 -12.597 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.910 -4.693 -11.874 1.00 0.00 H new ATOM 79 N GLN A 6 -2.727 -3.455 -10.036 1.00 0.00 N ATOM 80 CA GLN A 6 -1.643 -4.135 -9.348 1.00 0.00 C ATOM 81 C GLN A 6 -1.774 -3.948 -7.835 1.00 0.00 C ATOM 82 O GLN A 6 -1.354 -4.807 -7.061 1.00 0.00 O ATOM 83 CB GLN A 6 -0.283 -3.640 -9.845 1.00 0.00 C ATOM 84 CG GLN A 6 0.177 -4.438 -11.067 1.00 0.00 C ATOM 85 CD GLN A 6 0.991 -5.664 -10.647 1.00 0.00 C ATOM 86 OE1 GLN A 6 0.931 -6.124 -9.518 1.00 0.00 O ATOM 87 NE2 GLN A 6 1.753 -6.166 -11.615 1.00 0.00 N ATOM 0 H GLN A 6 -2.429 -2.760 -10.721 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.709 -5.200 -9.570 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.348 -2.582 -10.100 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.455 -3.731 -9.048 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.690 -4.754 -11.647 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.779 -3.802 -11.715 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.756 -5.732 -12.538 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.334 -6.985 -11.434 1.00 0.00 H new ATOM 96 N ILE A 7 -2.359 -2.820 -7.459 1.00 0.00 N ATOM 97 CA ILE A 7 -2.508 -2.487 -6.052 1.00 0.00 C ATOM 98 C ILE A 7 -3.666 -3.295 -5.462 1.00 0.00 C ATOM 99 O ILE A 7 -3.637 -3.660 -4.287 1.00 0.00 O ATOM 100 CB ILE A 7 -2.659 -0.975 -5.872 1.00 0.00 C ATOM 101 CG1 ILE A 7 -1.380 -0.244 -6.284 1.00 0.00 C ATOM 102 CG2 ILE A 7 -3.080 -0.633 -4.442 1.00 0.00 C ATOM 103 CD1 ILE A 7 -0.334 -0.297 -5.169 1.00 0.00 C ATOM 0 H ILE A 7 -2.735 -2.125 -8.104 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.611 -2.762 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.454 -0.629 -6.533 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.975 -0.696 -7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.611 0.794 -6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.180 0.448 -4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.036 -1.108 -4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.325 -0.994 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.565 0.230 -5.488 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.734 0.177 -4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.087 -1.336 -4.951 1.00 0.00 H new ATOM 115 N ILE A 8 -4.657 -3.551 -6.303 1.00 0.00 N ATOM 116 CA ILE A 8 -5.816 -4.319 -5.882 1.00 0.00 C ATOM 117 C ILE A 8 -5.360 -5.687 -5.373 1.00 0.00 C ATOM 118 O ILE A 8 -5.770 -6.122 -4.298 1.00 0.00 O ATOM 119 CB ILE A 8 -6.847 -4.394 -7.010 1.00 0.00 C ATOM 120 CG1 ILE A 8 -7.234 -2.996 -7.494 1.00 0.00 C ATOM 121 CG2 ILE A 8 -8.068 -5.211 -6.583 1.00 0.00 C ATOM 122 CD1 ILE A 8 -7.700 -2.121 -6.328 1.00 0.00 C ATOM 0 H ILE A 8 -4.681 -3.240 -7.274 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.320 -3.823 -5.053 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.392 -4.912 -7.854 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.381 -2.529 -7.986 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.028 -3.071 -8.237 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.785 -5.249 -7.403 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.757 -6.224 -6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.533 -4.744 -5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.969 -1.132 -6.700 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.568 -2.579 -5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.895 -2.028 -5.599 1.00 0.00 H new ATOM 134 N GLU A 9 -4.517 -6.328 -6.170 1.00 0.00 N ATOM 135 CA GLU A 9 -4.034 -7.657 -5.834 1.00 0.00 C ATOM 136 C GLU A 9 -3.044 -7.582 -4.669 1.00 0.00 C ATOM 137 O GLU A 9 -2.666 -8.608 -4.105 1.00 0.00 O ATOM 138 CB GLU A 9 -3.398 -8.333 -7.050 1.00 0.00 C ATOM 139 CG GLU A 9 -4.469 -8.912 -7.977 1.00 0.00 C ATOM 140 CD GLU A 9 -4.505 -10.439 -7.886 1.00 0.00 C ATOM 141 OE1 GLU A 9 -5.234 -10.938 -7.002 1.00 0.00 O ATOM 142 OE2 GLU A 9 -3.801 -11.073 -8.702 1.00 0.00 O ATOM 0 H GLU A 9 -4.156 -5.952 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.885 -8.265 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.791 -7.611 -7.596 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.729 -9.128 -6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.444 -8.505 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.268 -8.610 -9.005 1.00 0.00 H new ATOM 149 N ALA A 10 -2.653 -6.359 -4.343 1.00 0.00 N ATOM 150 CA ALA A 10 -1.680 -6.141 -3.287 1.00 0.00 C ATOM 151 C ALA A 10 -2.375 -6.251 -1.928 1.00 0.00 C ATOM 152 O ALA A 10 -1.808 -6.792 -0.979 1.00 0.00 O ATOM 153 CB ALA A 10 -1.004 -4.783 -3.488 1.00 0.00 C ATOM 0 H ALA A 10 -2.993 -5.508 -4.792 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.900 -6.902 -3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.274 -4.619 -2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.500 -4.767 -4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.756 -3.994 -3.457 1.00 0.00 H new ATOM 159 N VAL A 11 -3.592 -5.730 -1.878 1.00 0.00 N ATOM 160 CA VAL A 11 -4.371 -5.768 -0.652 1.00 0.00 C ATOM 161 C VAL A 11 -4.967 -7.165 -0.474 1.00 0.00 C ATOM 162 O VAL A 11 -5.222 -7.597 0.649 1.00 0.00 O ATOM 163 CB VAL A 11 -5.431 -4.664 -0.673 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.441 -4.853 0.461 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.783 -3.280 -0.605 1.00 0.00 C ATOM 0 H VAL A 11 -4.058 -5.280 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.735 -5.574 0.212 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.970 -4.735 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.183 -4.056 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.938 -5.817 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.922 -4.821 1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.558 -2.514 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.207 -3.193 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.122 -3.145 -1.461 1.00 0.00 H new ATOM 175 N ALA A 12 -5.173 -7.834 -1.600 1.00 0.00 N ATOM 176 CA ALA A 12 -5.727 -9.177 -1.582 1.00 0.00 C ATOM 177 C ALA A 12 -4.608 -10.183 -1.304 1.00 0.00 C ATOM 178 O ALA A 12 -4.852 -11.386 -1.239 1.00 0.00 O ATOM 179 CB ALA A 12 -6.443 -9.452 -2.905 1.00 0.00 C ATOM 0 H ALA A 12 -4.966 -7.470 -2.530 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.465 -9.277 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.859 -10.460 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.248 -8.729 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.734 -9.363 -3.728 1.00 0.00 H new ATOM 185 N ALA A 13 -3.404 -9.652 -1.149 1.00 0.00 N ATOM 186 CA ALA A 13 -2.244 -10.489 -0.892 1.00 0.00 C ATOM 187 C ALA A 13 -1.998 -10.562 0.616 1.00 0.00 C ATOM 188 O ALA A 13 -1.469 -11.555 1.115 1.00 0.00 O ATOM 189 CB ALA A 13 -1.038 -9.937 -1.654 1.00 0.00 C ATOM 0 H ALA A 13 -3.207 -8.652 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.417 -11.505 -1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.168 -10.564 -1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.253 -9.933 -2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.832 -8.919 -1.322 1.00 0.00 H new ATOM 195 N MET A 14 -2.393 -9.499 1.301 1.00 0.00 N ATOM 196 CA MET A 14 -2.181 -9.411 2.735 1.00 0.00 C ATOM 197 C MET A 14 -3.460 -9.754 3.501 1.00 0.00 C ATOM 198 O MET A 14 -4.533 -9.863 2.908 1.00 0.00 O ATOM 199 CB MET A 14 -1.732 -7.995 3.100 1.00 0.00 C ATOM 200 CG MET A 14 -0.439 -7.625 2.370 1.00 0.00 C ATOM 201 SD MET A 14 0.011 -5.938 2.741 1.00 0.00 S ATOM 202 CE MET A 14 1.115 -5.604 1.380 1.00 0.00 C ATOM 0 H MET A 14 -2.859 -8.691 0.889 1.00 0.00 H new ATOM 0 HA MET A 14 -1.410 -10.129 3.013 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.516 -7.283 2.842 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.579 -7.924 4.177 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.363 -8.299 2.671 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.571 -7.747 1.295 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.491 -4.584 1.458 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.952 -6.302 1.410 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.578 -5.722 0.439 1.00 0.00 H new ATOM 212 N SER A 15 -3.306 -9.915 4.807 1.00 0.00 N ATOM 213 CA SER A 15 -4.433 -10.255 5.658 1.00 0.00 C ATOM 214 C SER A 15 -5.246 -8.999 5.977 1.00 0.00 C ATOM 215 O SER A 15 -4.759 -7.882 5.811 1.00 0.00 O ATOM 216 CB SER A 15 -3.965 -10.928 6.950 1.00 0.00 C ATOM 217 OG SER A 15 -2.627 -10.569 7.284 1.00 0.00 O ATOM 0 H SER A 15 -2.417 -9.816 5.297 1.00 0.00 H new ATOM 0 HA SER A 15 -5.065 -10.962 5.121 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.630 -10.647 7.767 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.033 -12.010 6.841 1.00 0.00 H new ATOM 0 HG SER A 15 -2.366 -11.017 8.115 1.00 0.00 H new ATOM 223 N VAL A 16 -6.470 -9.225 6.431 1.00 0.00 N ATOM 224 CA VAL A 16 -7.366 -8.125 6.747 1.00 0.00 C ATOM 225 C VAL A 16 -6.729 -7.250 7.829 1.00 0.00 C ATOM 226 O VAL A 16 -6.740 -6.024 7.727 1.00 0.00 O ATOM 227 CB VAL A 16 -8.739 -8.667 7.149 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.704 -7.526 7.476 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.311 -9.573 6.057 1.00 0.00 C ATOM 0 H VAL A 16 -6.862 -10.153 6.588 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.524 -7.497 5.870 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.612 -9.267 8.050 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.673 -7.938 7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.305 -6.938 8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.823 -6.888 6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.287 -9.945 6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.416 -9.006 5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.638 -10.414 5.892 1.00 0.00 H new ATOM 239 N MET A 17 -6.188 -7.913 8.840 1.00 0.00 N ATOM 240 CA MET A 17 -5.569 -7.211 9.951 1.00 0.00 C ATOM 241 C MET A 17 -4.476 -6.261 9.458 1.00 0.00 C ATOM 242 O MET A 17 -4.443 -5.093 9.844 1.00 0.00 O ATOM 243 CB MET A 17 -4.964 -8.225 10.923 1.00 0.00 C ATOM 244 CG MET A 17 -6.015 -8.731 11.913 1.00 0.00 C ATOM 245 SD MET A 17 -6.799 -10.201 11.272 1.00 0.00 S ATOM 246 CE MET A 17 -8.304 -10.194 12.233 1.00 0.00 C ATOM 0 H MET A 17 -6.165 -8.930 8.913 1.00 0.00 H new ATOM 0 HA MET A 17 -6.335 -6.623 10.457 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.550 -9.065 10.366 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.139 -7.765 11.467 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.547 -8.948 12.874 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.763 -7.958 12.090 1.00 0.00 H new ATOM 0 HE1 MET A 17 -8.916 -11.052 11.957 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.059 -10.250 13.294 1.00 0.00 H new ATOM 0 HE3 MET A 17 -8.857 -9.276 12.036 1.00 0.00 H new ATOM 256 N ASP A 18 -3.608 -6.796 8.612 1.00 0.00 N ATOM 257 CA ASP A 18 -2.493 -6.022 8.094 1.00 0.00 C ATOM 258 C ASP A 18 -3.030 -4.852 7.268 1.00 0.00 C ATOM 259 O ASP A 18 -2.401 -3.797 7.197 1.00 0.00 O ATOM 260 CB ASP A 18 -1.606 -6.875 7.185 1.00 0.00 C ATOM 261 CG ASP A 18 -0.269 -6.237 6.802 1.00 0.00 C ATOM 262 OD1 ASP A 18 0.700 -6.449 7.564 1.00 0.00 O ATOM 263 OD2 ASP A 18 -0.245 -5.552 5.757 1.00 0.00 O ATOM 0 H ASP A 18 -3.655 -7.757 8.272 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.906 -5.667 8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.409 -7.825 7.682 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.158 -7.101 6.273 1.00 0.00 H new ATOM 268 N VAL A 19 -4.188 -5.077 6.664 1.00 0.00 N ATOM 269 CA VAL A 19 -4.789 -4.075 5.800 1.00 0.00 C ATOM 270 C VAL A 19 -5.435 -2.988 6.661 1.00 0.00 C ATOM 271 O VAL A 19 -5.446 -1.817 6.284 1.00 0.00 O ATOM 272 CB VAL A 19 -5.773 -4.738 4.835 1.00 0.00 C ATOM 273 CG1 VAL A 19 -6.606 -3.690 4.095 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.043 -5.654 3.851 1.00 0.00 C ATOM 0 H VAL A 19 -4.726 -5.939 6.756 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.028 -3.594 5.186 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.455 -5.353 5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.297 -4.188 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.169 -3.098 4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.946 -3.036 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.766 -6.113 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.327 -5.070 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.516 -6.433 4.402 1.00 0.00 H new ATOM 284 N VAL A 20 -5.959 -3.414 7.801 1.00 0.00 N ATOM 285 CA VAL A 20 -6.613 -2.493 8.715 1.00 0.00 C ATOM 286 C VAL A 20 -5.627 -1.394 9.117 1.00 0.00 C ATOM 287 O VAL A 20 -5.965 -0.212 9.093 1.00 0.00 O ATOM 288 CB VAL A 20 -7.178 -3.258 9.914 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.365 -2.330 11.117 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.489 -3.956 9.551 1.00 0.00 C ATOM 0 H VAL A 20 -5.944 -4.385 8.113 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.459 -2.008 8.228 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.456 -4.026 10.192 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.768 -2.898 11.956 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.403 -1.900 11.398 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.057 -1.530 10.855 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.869 -4.492 10.421 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.221 -3.213 9.234 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.313 -4.661 8.739 1.00 0.00 H new ATOM 300 N GLU A 21 -4.426 -1.824 9.477 1.00 0.00 N ATOM 301 CA GLU A 21 -3.386 -0.891 9.874 1.00 0.00 C ATOM 302 C GLU A 21 -3.063 0.064 8.724 1.00 0.00 C ATOM 303 O GLU A 21 -2.989 1.276 8.921 1.00 0.00 O ATOM 304 CB GLU A 21 -2.131 -1.634 10.338 1.00 0.00 C ATOM 305 CG GLU A 21 -2.251 -2.048 11.807 1.00 0.00 C ATOM 306 CD GLU A 21 -1.541 -3.379 12.061 1.00 0.00 C ATOM 307 OE1 GLU A 21 -2.088 -4.409 11.611 1.00 0.00 O ATOM 308 OE2 GLU A 21 -0.466 -3.337 12.698 1.00 0.00 O ATOM 0 H GLU A 21 -4.151 -2.806 9.502 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.753 -0.304 10.716 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.977 -2.518 9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.257 -0.996 10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.820 -1.275 12.443 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.303 -2.135 12.079 1.00 0.00 H new ATOM 315 N LEU A 22 -2.879 -0.517 7.548 1.00 0.00 N ATOM 316 CA LEU A 22 -2.589 0.270 6.361 1.00 0.00 C ATOM 317 C LEU A 22 -3.663 1.347 6.194 1.00 0.00 C ATOM 318 O LEU A 22 -3.372 2.538 6.286 1.00 0.00 O ATOM 319 CB LEU A 22 -2.435 -0.639 5.140 1.00 0.00 C ATOM 320 CG LEU A 22 -1.885 0.024 3.875 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.031 -0.957 3.070 1.00 0.00 C ATOM 322 CD2 LEU A 22 -3.014 0.624 3.035 1.00 0.00 C ATOM 0 H LEU A 22 -2.925 -1.524 7.391 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.634 0.785 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.777 -1.466 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.409 -1.069 4.907 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.235 0.846 4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.652 -0.461 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.193 -1.295 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.638 -1.814 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.596 1.089 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.708 -0.164 2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.544 1.375 3.621 1.00 0.00 H new ATOM 334 N ILE A 23 -4.883 0.889 5.952 1.00 0.00 N ATOM 335 CA ILE A 23 -5.993 1.800 5.732 1.00 0.00 C ATOM 336 C ILE A 23 -6.040 2.824 6.867 1.00 0.00 C ATOM 337 O ILE A 23 -6.369 3.988 6.644 1.00 0.00 O ATOM 338 CB ILE A 23 -7.298 1.020 5.554 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.298 0.245 4.235 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.510 1.945 5.675 1.00 0.00 C ATOM 341 CD1 ILE A 23 -7.039 1.178 3.050 1.00 0.00 C ATOM 0 H ILE A 23 -5.127 -0.100 5.904 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.851 2.357 4.806 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.370 0.287 6.358 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.533 -0.531 4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.257 -0.257 4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.424 1.366 5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.514 2.413 6.660 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.457 2.717 4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.044 0.601 2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.819 1.938 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.069 1.660 3.172 1.00 0.00 H new ATOM 353 N SER A 24 -5.705 2.355 8.060 1.00 0.00 N ATOM 354 CA SER A 24 -5.772 3.197 9.242 1.00 0.00 C ATOM 355 C SER A 24 -4.742 4.323 9.141 1.00 0.00 C ATOM 356 O SER A 24 -5.005 5.450 9.559 1.00 0.00 O ATOM 357 CB SER A 24 -5.542 2.379 10.514 1.00 0.00 C ATOM 358 OG SER A 24 -6.761 1.869 11.048 1.00 0.00 O ATOM 0 H SER A 24 -5.386 1.402 8.233 1.00 0.00 H new ATOM 0 HA SER A 24 -6.770 3.631 9.297 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.867 1.551 10.296 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.051 3.002 11.262 1.00 0.00 H new ATOM 0 HG SER A 24 -6.978 1.018 10.613 1.00 0.00 H new ATOM 364 N ALA A 25 -3.589 3.980 8.584 1.00 0.00 N ATOM 365 CA ALA A 25 -2.528 4.955 8.399 1.00 0.00 C ATOM 366 C ALA A 25 -3.017 6.064 7.465 1.00 0.00 C ATOM 367 O ALA A 25 -3.065 7.231 7.852 1.00 0.00 O ATOM 368 CB ALA A 25 -1.277 4.253 7.866 1.00 0.00 C ATOM 0 H ALA A 25 -3.367 3.040 8.255 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.262 5.418 9.349 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.481 4.984 7.727 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.953 3.495 8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.505 3.779 6.911 1.00 0.00 H new ATOM 374 N MET A 26 -3.369 5.660 6.253 1.00 0.00 N ATOM 375 CA MET A 26 -3.854 6.605 5.261 1.00 0.00 C ATOM 376 C MET A 26 -4.965 7.485 5.838 1.00 0.00 C ATOM 377 O MET A 26 -5.011 8.685 5.575 1.00 0.00 O ATOM 378 CB MET A 26 -4.385 5.842 4.046 1.00 0.00 C ATOM 379 CG MET A 26 -3.243 5.187 3.267 1.00 0.00 C ATOM 380 SD MET A 26 -3.899 4.233 1.908 1.00 0.00 S ATOM 381 CE MET A 26 -4.634 5.539 0.939 1.00 0.00 C ATOM 0 H MET A 26 -3.328 4.692 5.936 1.00 0.00 H new ATOM 0 HA MET A 26 -3.026 7.248 4.964 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.092 5.079 4.372 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.930 6.524 3.394 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.563 5.951 2.891 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.664 4.543 3.928 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.706 5.223 -0.102 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.631 5.759 1.322 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.014 6.433 1.004 1.00 0.00 H new ATOM 391 N GLU A 27 -5.833 6.853 6.614 1.00 0.00 N ATOM 392 CA GLU A 27 -6.952 7.559 7.215 1.00 0.00 C ATOM 393 C GLU A 27 -6.460 8.815 7.937 1.00 0.00 C ATOM 394 O GLU A 27 -6.946 9.915 7.677 1.00 0.00 O ATOM 395 CB GLU A 27 -7.727 6.647 8.168 1.00 0.00 C ATOM 396 CG GLU A 27 -8.896 5.970 7.449 1.00 0.00 C ATOM 397 CD GLU A 27 -9.710 5.109 8.417 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.633 5.674 9.041 1.00 0.00 O ATOM 399 OE2 GLU A 27 -9.391 3.904 8.509 1.00 0.00 O ATOM 0 H GLU A 27 -5.784 5.860 6.841 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.634 7.863 6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.058 5.889 8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.101 7.229 9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.539 6.727 7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.518 5.351 6.636 1.00 0.00 H new ATOM 406 N GLU A 28 -5.503 8.609 8.830 1.00 0.00 N ATOM 407 CA GLU A 28 -4.975 9.704 9.627 1.00 0.00 C ATOM 408 C GLU A 28 -4.088 10.606 8.767 1.00 0.00 C ATOM 409 O GLU A 28 -4.225 11.828 8.797 1.00 0.00 O ATOM 410 CB GLU A 28 -4.209 9.178 10.842 1.00 0.00 C ATOM 411 CG GLU A 28 -3.618 10.329 11.659 1.00 0.00 C ATOM 412 CD GLU A 28 -3.581 9.981 13.148 1.00 0.00 C ATOM 413 OE1 GLU A 28 -2.875 9.006 13.486 1.00 0.00 O ATOM 414 OE2 GLU A 28 -4.258 10.699 13.916 1.00 0.00 O ATOM 0 H GLU A 28 -5.080 7.701 9.019 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.812 10.296 9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.877 8.587 11.469 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.410 8.513 10.513 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.610 10.549 11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.212 11.230 11.507 1.00 0.00 H new ATOM 421 N LYS A 29 -3.197 9.969 8.022 1.00 0.00 N ATOM 422 CA LYS A 29 -2.260 10.701 7.186 1.00 0.00 C ATOM 423 C LYS A 29 -3.032 11.686 6.305 1.00 0.00 C ATOM 424 O LYS A 29 -2.947 12.897 6.501 1.00 0.00 O ATOM 425 CB LYS A 29 -1.377 9.733 6.397 1.00 0.00 C ATOM 426 CG LYS A 29 -0.419 10.491 5.476 1.00 0.00 C ATOM 427 CD LYS A 29 1.038 10.198 5.839 1.00 0.00 C ATOM 428 CE LYS A 29 1.522 11.123 6.957 1.00 0.00 C ATOM 429 NZ LYS A 29 2.784 11.791 6.568 1.00 0.00 N ATOM 0 H LYS A 29 -3.104 8.954 7.980 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.579 11.288 7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.807 9.110 7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.002 9.064 5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.604 10.207 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.608 11.562 5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.136 9.159 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.668 10.325 4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.759 11.871 7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.674 10.549 7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.098 12.415 7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.514 11.074 6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.628 12.354 5.708 1.00 0.00 H new ATOM 443 N PHE A 30 -3.767 11.130 5.354 1.00 0.00 N ATOM 444 CA PHE A 30 -4.516 11.945 4.413 1.00 0.00 C ATOM 445 C PHE A 30 -5.757 12.546 5.076 1.00 0.00 C ATOM 446 O PHE A 30 -6.514 13.276 4.438 1.00 0.00 O ATOM 447 CB PHE A 30 -4.956 11.024 3.274 1.00 0.00 C ATOM 448 CG PHE A 30 -3.804 10.510 2.409 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.302 11.287 1.412 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.280 9.276 2.637 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.233 10.810 0.609 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.211 8.798 1.834 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.709 9.576 0.837 1.00 0.00 C ATOM 0 H PHE A 30 -3.860 10.124 5.215 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.895 12.766 4.055 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.489 10.172 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.662 11.560 2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.717 12.268 1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.677 8.659 3.429 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.836 11.427 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.796 7.817 2.015 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.895 9.214 0.227 1.00 0.00 H new ATOM 463 N GLY A 31 -5.928 12.216 6.348 1.00 0.00 N ATOM 464 CA GLY A 31 -7.047 12.740 7.113 1.00 0.00 C ATOM 465 C GLY A 31 -8.351 12.635 6.320 1.00 0.00 C ATOM 466 O GLY A 31 -9.052 13.628 6.137 1.00 0.00 O ATOM 0 H GLY A 31 -5.311 11.592 6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.141 12.190 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.858 13.782 7.373 1.00 0.00 H new ATOM 470 N VAL A 32 -8.636 11.421 5.871 1.00 0.00 N ATOM 471 CA VAL A 32 -9.844 11.173 5.102 1.00 0.00 C ATOM 472 C VAL A 32 -10.771 10.254 5.900 1.00 0.00 C ATOM 473 O VAL A 32 -11.264 9.256 5.375 1.00 0.00 O ATOM 474 CB VAL A 32 -9.483 10.610 3.726 1.00 0.00 C ATOM 475 CG1 VAL A 32 -8.698 9.303 3.858 1.00 0.00 C ATOM 476 CG2 VAL A 32 -10.734 10.415 2.868 1.00 0.00 C ATOM 0 H VAL A 32 -8.052 10.599 6.025 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.382 12.104 4.925 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.843 11.336 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.454 8.924 2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.778 9.486 4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.302 8.568 4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.449 10.014 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.410 9.719 3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.235 11.373 2.733 1.00 0.00 H new ATOM 486 N SER A 33 -10.981 10.622 7.155 1.00 0.00 N ATOM 487 CA SER A 33 -11.845 9.846 8.028 1.00 0.00 C ATOM 488 C SER A 33 -12.814 10.774 8.765 1.00 0.00 C ATOM 489 O SER A 33 -12.551 11.967 8.905 1.00 0.00 O ATOM 490 CB SER A 33 -11.026 9.031 9.030 1.00 0.00 C ATOM 491 OG SER A 33 -10.460 9.850 10.050 1.00 0.00 O ATOM 0 H SER A 33 -10.568 11.448 7.588 1.00 0.00 H new ATOM 0 HA SER A 33 -12.415 9.149 7.414 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.662 8.272 9.486 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.229 8.505 8.504 1.00 0.00 H new ATOM 0 HG SER A 33 -9.946 9.292 10.670 1.00 0.00 H new ATOM 497 N ALA A 34 -13.914 10.190 9.216 1.00 0.00 N ATOM 498 CA ALA A 34 -14.910 10.943 9.960 1.00 0.00 C ATOM 499 C ALA A 34 -15.003 10.388 11.383 1.00 0.00 C ATOM 500 O ALA A 34 -16.053 9.897 11.794 1.00 0.00 O ATOM 501 CB ALA A 34 -16.249 10.886 9.223 1.00 0.00 C ATOM 0 H ALA A 34 -14.138 9.204 9.081 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.623 11.992 10.033 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -16.996 11.451 9.781 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -16.136 11.318 8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -16.571 9.849 9.133 1.00 0.00 H new ATOM 507 N ALA A 35 -13.890 10.485 12.096 1.00 0.00 N ATOM 508 CA ALA A 35 -13.831 9.991 13.461 1.00 0.00 C ATOM 509 C ALA A 35 -12.488 10.382 14.082 1.00 0.00 C ATOM 510 O ALA A 35 -11.591 9.550 14.206 1.00 0.00 O ATOM 511 CB ALA A 35 -14.057 8.478 13.467 1.00 0.00 C ATOM 0 H ALA A 35 -13.022 10.898 11.754 1.00 0.00 H new ATOM 0 HA ALA A 35 -14.618 10.440 14.066 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.013 8.108 14.491 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -15.036 8.255 13.042 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.284 7.992 12.872 1.00 0.00 H new ATOM 517 N ALA A 36 -12.392 11.650 14.456 1.00 0.00 N ATOM 518 CA ALA A 36 -11.170 12.164 15.050 1.00 0.00 C ATOM 519 C ALA A 36 -10.604 11.127 16.021 1.00 0.00 C ATOM 520 O ALA A 36 -11.136 10.939 17.114 1.00 0.00 O ATOM 521 CB ALA A 36 -11.457 13.504 15.730 1.00 0.00 C ATOM 0 H ALA A 36 -13.141 12.336 14.359 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.416 12.342 14.283 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.540 13.890 16.176 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.828 14.215 14.992 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.207 13.364 16.508 1.00 0.00 H new ATOM 527 N ALA A 37 -9.532 10.480 15.588 1.00 0.00 N ATOM 528 CA ALA A 37 -8.891 9.463 16.403 1.00 0.00 C ATOM 529 C ALA A 37 -7.607 8.996 15.714 1.00 0.00 C ATOM 530 O ALA A 37 -7.444 9.180 14.508 1.00 0.00 O ATOM 531 CB ALA A 37 -9.870 8.314 16.650 1.00 0.00 C ATOM 0 H ALA A 37 -9.091 10.641 14.682 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.614 9.870 17.375 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.389 7.551 17.262 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.751 8.692 17.168 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.169 7.879 15.696 1.00 0.00 H new TER 537 ALA A 37 ATOM 538 N SER B 1 10.544 -4.482 -1.147 1.00 0.00 N ATOM 539 CA SER B 1 10.212 -3.655 0.001 1.00 0.00 C ATOM 540 C SER B 1 8.776 -3.142 -0.122 1.00 0.00 C ATOM 541 O SER B 1 8.555 -1.964 -0.399 1.00 0.00 O ATOM 542 CB SER B 1 11.185 -2.481 0.134 1.00 0.00 C ATOM 543 OG SER B 1 12.321 -2.817 0.926 1.00 0.00 O ATOM 0 H1 SER B 1 11.521 -4.826 -1.056 1.00 0.00 H new ATOM 0 H2 SER B 1 9.894 -5.292 -1.191 1.00 0.00 H new ATOM 0 H3 SER B 1 10.455 -3.920 -2.017 1.00 0.00 H new ATOM 0 HA SER B 1 10.297 -4.266 0.899 1.00 0.00 H new ATOM 0 HB2 SER B 1 11.514 -2.168 -0.857 1.00 0.00 H new ATOM 0 HB3 SER B 1 10.669 -1.631 0.582 1.00 0.00 H new ATOM 0 HG SER B 1 12.919 -2.043 0.986 1.00 0.00 H new ATOM 549 N ILE B 2 7.836 -4.052 0.090 1.00 0.00 N ATOM 550 CA ILE B 2 6.427 -3.706 0.009 1.00 0.00 C ATOM 551 C ILE B 2 5.866 -3.535 1.422 1.00 0.00 C ATOM 552 O ILE B 2 4.928 -4.229 1.810 1.00 0.00 O ATOM 553 CB ILE B 2 5.670 -4.735 -0.832 1.00 0.00 C ATOM 554 CG1 ILE B 2 6.481 -5.138 -2.066 1.00 0.00 C ATOM 555 CG2 ILE B 2 4.278 -4.222 -1.205 1.00 0.00 C ATOM 556 CD1 ILE B 2 5.771 -6.241 -2.853 1.00 0.00 C ATOM 0 H ILE B 2 8.023 -5.029 0.318 1.00 0.00 H new ATOM 0 HA ILE B 2 6.298 -2.753 -0.503 1.00 0.00 H new ATOM 0 HB ILE B 2 5.532 -5.633 -0.229 1.00 0.00 H new ATOM 0 HG12 ILE B 2 6.631 -4.269 -2.706 1.00 0.00 H new ATOM 0 HG13 ILE B 2 7.469 -5.483 -1.760 1.00 0.00 H new ATOM 0 HG21 ILE B 2 3.762 -4.973 -1.803 1.00 0.00 H new ATOM 0 HG22 ILE B 2 3.707 -4.025 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE B 2 4.372 -3.301 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE B 2 6.369 -6.508 -3.724 1.00 0.00 H new ATOM 0 HD12 ILE B 2 5.644 -7.117 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE B 2 4.794 -5.884 -3.179 1.00 0.00 H new ATOM 568 N THR B 3 6.465 -2.606 2.154 1.00 0.00 N ATOM 569 CA THR B 3 6.032 -2.330 3.513 1.00 0.00 C ATOM 570 C THR B 3 4.755 -1.488 3.505 1.00 0.00 C ATOM 571 O THR B 3 4.455 -0.818 2.517 1.00 0.00 O ATOM 572 CB THR B 3 7.193 -1.665 4.254 1.00 0.00 C ATOM 573 OG1 THR B 3 7.556 -0.569 3.417 1.00 0.00 O ATOM 574 CG2 THR B 3 8.447 -2.541 4.284 1.00 0.00 C ATOM 0 H THR B 3 7.246 -2.035 1.831 1.00 0.00 H new ATOM 0 HA THR B 3 5.775 -3.249 4.040 1.00 0.00 H new ATOM 0 HB THR B 3 6.887 -1.433 5.274 1.00 0.00 H new ATOM 0 HG1 THR B 3 8.302 -0.080 3.823 1.00 0.00 H new ATOM 0 HG21 THR B 3 9.241 -2.022 4.822 1.00 0.00 H new ATOM 0 HG22 THR B 3 8.222 -3.481 4.788 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.773 -2.745 3.264 1.00 0.00 H new ATOM 582 N LYS B 4 4.036 -1.549 4.616 1.00 0.00 N ATOM 583 CA LYS B 4 2.811 -0.780 4.759 1.00 0.00 C ATOM 584 C LYS B 4 3.107 0.697 4.494 1.00 0.00 C ATOM 585 O LYS B 4 2.392 1.351 3.737 1.00 0.00 O ATOM 586 CB LYS B 4 2.169 -1.044 6.122 1.00 0.00 C ATOM 587 CG LYS B 4 1.396 -2.365 6.118 1.00 0.00 C ATOM 588 CD LYS B 4 1.519 -3.077 7.467 1.00 0.00 C ATOM 589 CE LYS B 4 0.802 -2.294 8.568 1.00 0.00 C ATOM 590 NZ LYS B 4 1.779 -1.739 9.531 1.00 0.00 N ATOM 0 H LYS B 4 4.278 -2.119 5.426 1.00 0.00 H new ATOM 0 HA LYS B 4 2.075 -1.095 4.020 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.940 -1.072 6.892 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.496 -0.225 6.375 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.346 -2.175 5.898 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.776 -3.010 5.326 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.095 -4.079 7.393 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.571 -3.194 7.726 1.00 0.00 H new ATOM 0 HE2 LYS B 4 0.219 -1.486 8.127 1.00 0.00 H new ATOM 0 HE3 LYS B 4 0.100 -2.946 9.088 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 1.275 -1.211 10.271 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 2.318 -2.515 9.965 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.432 -1.100 9.034 1.00 0.00 H new ATOM 604 N ASP B 5 4.163 1.180 5.133 1.00 0.00 N ATOM 605 CA ASP B 5 4.544 2.576 5.000 1.00 0.00 C ATOM 606 C ASP B 5 4.777 2.898 3.523 1.00 0.00 C ATOM 607 O ASP B 5 4.323 3.930 3.030 1.00 0.00 O ATOM 608 CB ASP B 5 5.840 2.868 5.758 1.00 0.00 C ATOM 609 CG ASP B 5 5.940 2.222 7.141 1.00 0.00 C ATOM 610 OD1 ASP B 5 4.878 2.101 7.789 1.00 0.00 O ATOM 611 OD2 ASP B 5 7.076 1.863 7.520 1.00 0.00 O ATOM 0 H ASP B 5 4.766 0.629 5.744 1.00 0.00 H new ATOM 0 HA ASP B 5 3.740 3.186 5.413 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.681 2.529 5.153 1.00 0.00 H new ATOM 0 HB3 ASP B 5 5.943 3.947 5.870 1.00 0.00 H new ATOM 616 N GLN B 6 5.484 1.997 2.858 1.00 0.00 N ATOM 617 CA GLN B 6 5.826 2.196 1.460 1.00 0.00 C ATOM 618 C GLN B 6 4.568 2.502 0.644 1.00 0.00 C ATOM 619 O GLN B 6 4.635 3.197 -0.369 1.00 0.00 O ATOM 620 CB GLN B 6 6.562 0.979 0.896 1.00 0.00 C ATOM 621 CG GLN B 6 8.078 1.151 1.017 1.00 0.00 C ATOM 622 CD GLN B 6 8.682 1.632 -0.304 1.00 0.00 C ATOM 623 OE1 GLN B 6 9.203 0.863 -1.095 1.00 0.00 O ATOM 624 NE2 GLN B 6 8.584 2.945 -0.497 1.00 0.00 N ATOM 0 H GLN B 6 5.830 1.126 3.262 1.00 0.00 H new ATOM 0 HA GLN B 6 6.499 3.051 1.390 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.250 0.081 1.430 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.291 0.838 -0.150 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.305 1.867 1.807 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.533 0.204 1.306 1.00 0.00 H new ATOM 0 HE21 GLN B 6 8.135 3.532 0.206 1.00 0.00 H new ATOM 0 HE22 GLN B 6 8.958 3.365 -1.348 1.00 0.00 H new ATOM 633 N ILE B 7 3.451 1.969 1.116 1.00 0.00 N ATOM 634 CA ILE B 7 2.187 2.145 0.422 1.00 0.00 C ATOM 635 C ILE B 7 1.614 3.523 0.759 1.00 0.00 C ATOM 636 O ILE B 7 0.936 4.136 -0.065 1.00 0.00 O ATOM 637 CB ILE B 7 1.236 0.990 0.740 1.00 0.00 C ATOM 638 CG1 ILE B 7 1.856 -0.354 0.349 1.00 0.00 C ATOM 639 CG2 ILE B 7 -0.128 1.205 0.080 1.00 0.00 C ATOM 640 CD1 ILE B 7 2.166 -0.400 -1.148 1.00 0.00 C ATOM 0 H ILE B 7 3.395 1.415 1.971 1.00 0.00 H new ATOM 0 HA ILE B 7 2.337 2.116 -0.657 1.00 0.00 H new ATOM 0 HB ILE B 7 1.073 0.969 1.817 1.00 0.00 H new ATOM 0 HG12 ILE B 7 2.771 -0.516 0.919 1.00 0.00 H new ATOM 0 HG13 ILE B 7 1.172 -1.163 0.607 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.785 0.370 0.322 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.568 2.132 0.448 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.003 1.267 -1.001 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.606 -1.365 -1.399 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.245 -0.262 -1.715 1.00 0.00 H new ATOM 0 HD13 ILE B 7 2.869 0.395 -1.399 1.00 0.00 H new ATOM 652 N ILE B 8 1.906 3.971 1.971 1.00 0.00 N ATOM 653 CA ILE B 8 1.423 5.262 2.429 1.00 0.00 C ATOM 654 C ILE B 8 1.971 6.361 1.516 1.00 0.00 C ATOM 655 O ILE B 8 1.219 7.207 1.036 1.00 0.00 O ATOM 656 CB ILE B 8 1.760 5.467 3.907 1.00 0.00 C ATOM 657 CG1 ILE B 8 1.243 4.301 4.754 1.00 0.00 C ATOM 658 CG2 ILE B 8 1.236 6.815 4.407 1.00 0.00 C ATOM 659 CD1 ILE B 8 -0.251 4.074 4.519 1.00 0.00 C ATOM 0 H ILE B 8 2.472 3.462 2.650 1.00 0.00 H new ATOM 0 HA ILE B 8 0.336 5.306 2.364 1.00 0.00 H new ATOM 0 HB ILE B 8 2.845 5.485 4.011 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.796 3.394 4.507 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.422 4.506 5.809 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.489 6.936 5.460 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.692 7.619 3.830 1.00 0.00 H new ATOM 0 HG23 ILE B 8 0.153 6.852 4.287 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.593 3.240 5.132 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -0.803 4.974 4.790 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.423 3.845 3.467 1.00 0.00 H new ATOM 671 N GLU B 9 3.278 6.311 1.303 1.00 0.00 N ATOM 672 CA GLU B 9 3.944 7.321 0.497 1.00 0.00 C ATOM 673 C GLU B 9 3.638 7.102 -0.986 1.00 0.00 C ATOM 674 O GLU B 9 3.860 7.992 -1.806 1.00 0.00 O ATOM 675 CB GLU B 9 5.452 7.319 0.752 1.00 0.00 C ATOM 676 CG GLU B 9 6.094 6.028 0.239 1.00 0.00 C ATOM 677 CD GLU B 9 6.979 6.302 -0.979 1.00 0.00 C ATOM 678 OE1 GLU B 9 6.476 6.971 -1.907 1.00 0.00 O ATOM 679 OE2 GLU B 9 8.138 5.835 -0.954 1.00 0.00 O ATOM 0 H GLU B 9 3.893 5.587 1.674 1.00 0.00 H new ATOM 0 HA GLU B 9 3.562 8.300 0.786 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.909 8.177 0.259 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.644 7.425 1.820 1.00 0.00 H new ATOM 0 HG2 GLU B 9 6.690 5.574 1.031 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.317 5.311 -0.026 1.00 0.00 H new ATOM 686 N ALA B 10 3.134 5.914 -1.285 1.00 0.00 N ATOM 687 CA ALA B 10 2.839 5.551 -2.661 1.00 0.00 C ATOM 688 C ALA B 10 1.540 6.233 -3.096 1.00 0.00 C ATOM 689 O ALA B 10 1.434 6.712 -4.224 1.00 0.00 O ATOM 690 CB ALA B 10 2.767 4.028 -2.783 1.00 0.00 C ATOM 0 H ALA B 10 2.922 5.190 -0.598 1.00 0.00 H new ATOM 0 HA ALA B 10 3.631 5.894 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.546 3.756 -3.815 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.723 3.594 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.981 3.648 -2.131 1.00 0.00 H new ATOM 696 N VAL B 11 0.585 6.256 -2.178 1.00 0.00 N ATOM 697 CA VAL B 11 -0.699 6.879 -2.450 1.00 0.00 C ATOM 698 C VAL B 11 -0.520 8.397 -2.518 1.00 0.00 C ATOM 699 O VAL B 11 -1.253 9.081 -3.231 1.00 0.00 O ATOM 700 CB VAL B 11 -1.724 6.445 -1.400 1.00 0.00 C ATOM 701 CG1 VAL B 11 -2.989 7.303 -1.481 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.059 4.959 -1.543 1.00 0.00 C ATOM 0 H VAL B 11 0.675 5.853 -1.245 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.085 6.553 -3.416 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.280 6.595 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.701 6.974 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.732 8.348 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.436 7.199 -2.470 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.790 4.676 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.474 4.773 -2.534 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.153 4.368 -1.412 1.00 0.00 H new ATOM 712 N ALA B 12 0.460 8.880 -1.767 1.00 0.00 N ATOM 713 CA ALA B 12 0.746 10.304 -1.735 1.00 0.00 C ATOM 714 C ALA B 12 1.631 10.669 -2.928 1.00 0.00 C ATOM 715 O ALA B 12 2.050 11.817 -3.067 1.00 0.00 O ATOM 716 CB ALA B 12 1.394 10.664 -0.396 1.00 0.00 C ATOM 0 H ALA B 12 1.065 8.310 -1.176 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.174 10.883 -1.818 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.609 11.732 -0.371 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.713 10.412 0.417 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.322 10.104 -0.279 1.00 0.00 H new ATOM 722 N ALA B 13 1.890 9.670 -3.760 1.00 0.00 N ATOM 723 CA ALA B 13 2.707 9.875 -4.944 1.00 0.00 C ATOM 724 C ALA B 13 1.798 10.024 -6.166 1.00 0.00 C ATOM 725 O ALA B 13 2.169 10.671 -7.144 1.00 0.00 O ATOM 726 CB ALA B 13 3.694 8.715 -5.089 1.00 0.00 C ATOM 0 H ALA B 13 1.548 8.717 -3.637 1.00 0.00 H new ATOM 0 HA ALA B 13 3.291 10.791 -4.854 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.307 8.868 -5.977 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.335 8.670 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA B 13 3.144 7.779 -5.185 1.00 0.00 H new ATOM 732 N MET B 14 0.625 9.415 -6.069 1.00 0.00 N ATOM 733 CA MET B 14 -0.320 9.431 -7.173 1.00 0.00 C ATOM 734 C MET B 14 -1.301 10.597 -7.037 1.00 0.00 C ATOM 735 O MET B 14 -1.356 11.249 -5.996 1.00 0.00 O ATOM 736 CB MET B 14 -1.094 8.112 -7.201 1.00 0.00 C ATOM 737 CG MET B 14 -0.144 6.921 -7.330 1.00 0.00 C ATOM 738 SD MET B 14 -0.538 5.689 -6.100 1.00 0.00 S ATOM 739 CE MET B 14 -1.002 4.330 -7.160 1.00 0.00 C ATOM 0 H MET B 14 0.308 8.908 -5.243 1.00 0.00 H new ATOM 0 HA MET B 14 0.236 9.555 -8.102 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.685 8.014 -6.290 1.00 0.00 H new ATOM 0 HB3 MET B 14 -1.794 8.115 -8.036 1.00 0.00 H new ATOM 0 HG2 MET B 14 -0.223 6.489 -8.328 1.00 0.00 H new ATOM 0 HG3 MET B 14 0.887 7.253 -7.207 1.00 0.00 H new ATOM 0 HE1 MET B 14 -1.716 3.691 -6.641 1.00 0.00 H new ATOM 0 HE2 MET B 14 -1.458 4.718 -8.071 1.00 0.00 H new ATOM 0 HE3 MET B 14 -0.116 3.750 -7.417 1.00 0.00 H new ATOM 749 N SER B 15 -2.051 10.824 -8.105 1.00 0.00 N ATOM 750 CA SER B 15 -3.017 11.911 -8.124 1.00 0.00 C ATOM 751 C SER B 15 -4.281 11.500 -7.367 1.00 0.00 C ATOM 752 O SER B 15 -4.536 10.312 -7.175 1.00 0.00 O ATOM 753 CB SER B 15 -3.364 12.314 -9.559 1.00 0.00 C ATOM 754 OG SER B 15 -3.155 11.246 -10.479 1.00 0.00 O ATOM 0 H SER B 15 -2.010 10.275 -8.963 1.00 0.00 H new ATOM 0 HA SER B 15 -2.571 12.775 -7.631 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.405 12.633 -9.604 1.00 0.00 H new ATOM 0 HB3 SER B 15 -2.756 13.170 -9.852 1.00 0.00 H new ATOM 0 HG SER B 15 -3.389 11.543 -11.383 1.00 0.00 H new ATOM 760 N VAL B 16 -5.040 12.506 -6.958 1.00 0.00 N ATOM 761 CA VAL B 16 -6.270 12.265 -6.223 1.00 0.00 C ATOM 762 C VAL B 16 -7.164 11.320 -7.028 1.00 0.00 C ATOM 763 O VAL B 16 -7.742 10.385 -6.476 1.00 0.00 O ATOM 764 CB VAL B 16 -6.951 13.594 -5.891 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.254 13.366 -5.123 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.008 14.513 -5.110 1.00 0.00 C ATOM 0 H VAL B 16 -4.827 13.490 -7.122 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.056 11.778 -5.271 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.198 14.087 -6.831 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.718 14.327 -4.900 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -8.934 12.767 -5.729 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.040 12.841 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.516 15.451 -4.887 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -5.716 14.028 -4.179 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.119 14.715 -5.708 1.00 0.00 H new ATOM 776 N MET B 17 -7.250 11.598 -8.321 1.00 0.00 N ATOM 777 CA MET B 17 -8.076 10.794 -9.206 1.00 0.00 C ATOM 778 C MET B 17 -7.677 9.318 -9.137 1.00 0.00 C ATOM 779 O MET B 17 -8.534 8.445 -9.006 1.00 0.00 O ATOM 780 CB MET B 17 -7.927 11.298 -10.642 1.00 0.00 C ATOM 781 CG MET B 17 -8.943 12.400 -10.945 1.00 0.00 C ATOM 782 SD MET B 17 -8.208 14.002 -10.661 1.00 0.00 S ATOM 783 CE MET B 17 -9.593 14.851 -9.920 1.00 0.00 C ATOM 0 H MET B 17 -6.761 12.369 -8.777 1.00 0.00 H new ATOM 0 HA MET B 17 -9.114 10.885 -8.887 1.00 0.00 H new ATOM 0 HB2 MET B 17 -6.917 11.678 -10.795 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.065 10.470 -11.338 1.00 0.00 H new ATOM 0 HG2 MET B 17 -9.278 12.323 -11.979 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.824 12.278 -10.314 1.00 0.00 H new ATOM 0 HE1 MET B 17 -9.305 15.874 -9.678 1.00 0.00 H new ATOM 0 HE2 MET B 17 -10.428 14.865 -10.620 1.00 0.00 H new ATOM 0 HE3 MET B 17 -9.892 14.333 -9.009 1.00 0.00 H new ATOM 793 N ASP B 18 -6.376 9.085 -9.230 1.00 0.00 N ATOM 794 CA ASP B 18 -5.856 7.729 -9.211 1.00 0.00 C ATOM 795 C ASP B 18 -6.218 7.067 -7.880 1.00 0.00 C ATOM 796 O ASP B 18 -6.357 5.847 -7.807 1.00 0.00 O ATOM 797 CB ASP B 18 -4.331 7.722 -9.342 1.00 0.00 C ATOM 798 CG ASP B 18 -3.700 6.335 -9.481 1.00 0.00 C ATOM 799 OD1 ASP B 18 -3.792 5.569 -8.497 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.141 6.072 -10.567 1.00 0.00 O ATOM 0 H ASP B 18 -5.667 9.813 -9.319 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.293 7.189 -10.051 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.053 8.320 -10.210 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -3.904 8.213 -8.467 1.00 0.00 H new ATOM 805 N VAL B 19 -6.361 7.901 -6.860 1.00 0.00 N ATOM 806 CA VAL B 19 -6.660 7.408 -5.526 1.00 0.00 C ATOM 807 C VAL B 19 -8.156 7.109 -5.422 1.00 0.00 C ATOM 808 O VAL B 19 -8.565 6.225 -4.670 1.00 0.00 O ATOM 809 CB VAL B 19 -6.176 8.412 -4.477 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.703 8.049 -3.088 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.649 8.510 -4.476 1.00 0.00 C ATOM 0 H VAL B 19 -6.275 8.915 -6.931 1.00 0.00 H new ATOM 0 HA VAL B 19 -6.128 6.476 -5.334 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.574 9.392 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.345 8.778 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.793 8.054 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.347 7.056 -2.812 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.331 9.230 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.222 7.533 -4.248 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.305 8.837 -5.457 1.00 0.00 H new ATOM 821 N VAL B 20 -8.933 7.861 -6.187 1.00 0.00 N ATOM 822 CA VAL B 20 -10.373 7.667 -6.213 1.00 0.00 C ATOM 823 C VAL B 20 -10.693 6.351 -6.925 1.00 0.00 C ATOM 824 O VAL B 20 -11.482 5.549 -6.428 1.00 0.00 O ATOM 825 CB VAL B 20 -11.052 8.877 -6.858 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.535 8.600 -7.114 1.00 0.00 C ATOM 827 CG2 VAL B 20 -10.869 10.131 -6.001 1.00 0.00 C ATOM 0 H VAL B 20 -8.592 8.607 -6.794 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.767 7.592 -5.200 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.573 9.057 -7.820 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.995 9.475 -7.573 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.635 7.745 -7.783 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.033 8.382 -6.169 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.361 10.976 -6.483 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.309 9.967 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.806 10.345 -5.891 1.00 0.00 H new ATOM 837 N GLU B 21 -10.064 6.171 -8.077 1.00 0.00 N ATOM 838 CA GLU B 21 -10.245 4.951 -8.845 1.00 0.00 C ATOM 839 C GLU B 21 -9.862 3.731 -8.003 1.00 0.00 C ATOM 840 O GLU B 21 -10.599 2.747 -7.959 1.00 0.00 O ATOM 841 CB GLU B 21 -9.438 4.996 -10.144 1.00 0.00 C ATOM 842 CG GLU B 21 -10.209 5.728 -11.243 1.00 0.00 C ATOM 843 CD GLU B 21 -10.802 4.740 -12.250 1.00 0.00 C ATOM 844 OE1 GLU B 21 -11.876 4.183 -11.934 1.00 0.00 O ATOM 845 OE2 GLU B 21 -10.167 4.562 -13.312 1.00 0.00 O ATOM 0 H GLU B 21 -9.429 6.849 -8.497 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.298 4.867 -9.113 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.486 5.497 -9.968 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.209 3.981 -10.470 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.007 6.322 -10.798 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.544 6.422 -11.758 1.00 0.00 H new ATOM 852 N LEU B 22 -8.711 3.837 -7.356 1.00 0.00 N ATOM 853 CA LEU B 22 -8.231 2.763 -6.503 1.00 0.00 C ATOM 854 C LEU B 22 -9.284 2.455 -5.436 1.00 0.00 C ATOM 855 O LEU B 22 -9.870 1.374 -5.432 1.00 0.00 O ATOM 856 CB LEU B 22 -6.856 3.110 -5.928 1.00 0.00 C ATOM 857 CG LEU B 22 -6.047 1.937 -5.372 1.00 0.00 C ATOM 858 CD1 LEU B 22 -6.867 1.136 -4.359 1.00 0.00 C ATOM 859 CD2 LEU B 22 -5.511 1.055 -6.502 1.00 0.00 C ATOM 0 H LEU B 22 -8.097 4.650 -7.405 1.00 0.00 H new ATOM 0 HA LEU B 22 -8.088 1.851 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.269 3.593 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.991 3.842 -5.132 1.00 0.00 H new ATOM 0 HG LEU B 22 -5.184 2.339 -4.841 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -6.268 0.308 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -7.156 1.784 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -7.762 0.745 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.940 0.229 -6.079 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -6.345 0.660 -7.082 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -4.866 1.647 -7.151 1.00 0.00 H new ATOM 871 N ILE B 23 -9.491 3.425 -4.558 1.00 0.00 N ATOM 872 CA ILE B 23 -10.425 3.251 -3.458 1.00 0.00 C ATOM 873 C ILE B 23 -11.736 2.672 -3.994 1.00 0.00 C ATOM 874 O ILE B 23 -12.378 1.862 -3.328 1.00 0.00 O ATOM 875 CB ILE B 23 -10.600 4.564 -2.691 1.00 0.00 C ATOM 876 CG1 ILE B 23 -9.375 4.860 -1.824 1.00 0.00 C ATOM 877 CG2 ILE B 23 -11.893 4.553 -1.873 1.00 0.00 C ATOM 878 CD1 ILE B 23 -9.405 6.299 -1.306 1.00 0.00 C ATOM 0 H ILE B 23 -9.028 4.334 -4.586 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.033 2.536 -2.735 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.685 5.374 -3.415 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -9.344 4.167 -0.983 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -8.467 4.697 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -11.993 5.497 -1.338 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -12.745 4.422 -2.541 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -11.864 3.732 -1.157 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -8.523 6.483 -0.693 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -9.411 6.989 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -10.302 6.451 -0.706 1.00 0.00 H new ATOM 890 N SER B 24 -12.093 3.111 -5.192 1.00 0.00 N ATOM 891 CA SER B 24 -13.346 2.694 -5.798 1.00 0.00 C ATOM 892 C SER B 24 -13.273 1.217 -6.189 1.00 0.00 C ATOM 893 O SER B 24 -14.239 0.476 -6.013 1.00 0.00 O ATOM 894 CB SER B 24 -13.678 3.551 -7.021 1.00 0.00 C ATOM 895 OG SER B 24 -14.333 4.764 -6.661 1.00 0.00 O ATOM 0 H SER B 24 -11.537 3.751 -5.759 1.00 0.00 H new ATOM 0 HA SER B 24 -14.142 2.830 -5.066 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.760 3.781 -7.562 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.314 2.983 -7.700 1.00 0.00 H new ATOM 0 HG SER B 24 -13.663 5.454 -6.471 1.00 0.00 H new ATOM 901 N ALA B 25 -12.118 0.833 -6.712 1.00 0.00 N ATOM 902 CA ALA B 25 -11.913 -0.537 -7.149 1.00 0.00 C ATOM 903 C ALA B 25 -12.109 -1.482 -5.962 1.00 0.00 C ATOM 904 O ALA B 25 -13.014 -2.315 -5.969 1.00 0.00 O ATOM 905 CB ALA B 25 -10.525 -0.671 -7.778 1.00 0.00 C ATOM 0 H ALA B 25 -11.314 1.447 -6.843 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.643 -0.809 -7.911 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.372 -1.699 -8.106 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.448 -0.002 -8.635 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.765 -0.408 -7.042 1.00 0.00 H new ATOM 911 N MET B 26 -11.245 -1.322 -4.970 1.00 0.00 N ATOM 912 CA MET B 26 -11.283 -2.178 -3.798 1.00 0.00 C ATOM 913 C MET B 26 -12.701 -2.264 -3.228 1.00 0.00 C ATOM 914 O MET B 26 -13.154 -3.340 -2.839 1.00 0.00 O ATOM 915 CB MET B 26 -10.336 -1.626 -2.730 1.00 0.00 C ATOM 916 CG MET B 26 -8.875 -1.808 -3.147 1.00 0.00 C ATOM 917 SD MET B 26 -7.799 -1.029 -1.954 1.00 0.00 S ATOM 918 CE MET B 26 -8.163 -2.020 -0.515 1.00 0.00 C ATOM 0 H MET B 26 -10.514 -0.611 -4.955 1.00 0.00 H new ATOM 0 HA MET B 26 -10.968 -3.179 -4.092 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.543 -0.568 -2.567 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.514 -2.135 -1.783 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.639 -2.869 -3.223 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.713 -1.374 -4.134 1.00 0.00 H new ATOM 0 HE1 MET B 26 -7.345 -1.936 0.201 1.00 0.00 H new ATOM 0 HE2 MET B 26 -9.086 -1.668 -0.055 1.00 0.00 H new ATOM 0 HE3 MET B 26 -8.280 -3.062 -0.811 1.00 0.00 H new ATOM 928 N GLU B 27 -13.362 -1.116 -3.197 1.00 0.00 N ATOM 929 CA GLU B 27 -14.710 -1.043 -2.658 1.00 0.00 C ATOM 930 C GLU B 27 -15.593 -2.121 -3.290 1.00 0.00 C ATOM 931 O GLU B 27 -16.333 -2.811 -2.590 1.00 0.00 O ATOM 932 CB GLU B 27 -15.309 0.349 -2.867 1.00 0.00 C ATOM 933 CG GLU B 27 -15.055 1.243 -1.651 1.00 0.00 C ATOM 934 CD GLU B 27 -16.079 2.377 -1.582 1.00 0.00 C ATOM 935 OE1 GLU B 27 -17.279 2.070 -1.754 1.00 0.00 O ATOM 936 OE2 GLU B 27 -15.640 3.526 -1.357 1.00 0.00 O ATOM 0 H GLU B 27 -12.990 -0.229 -3.536 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.662 -1.224 -1.584 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.875 0.806 -3.756 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.381 0.265 -3.043 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -15.105 0.647 -0.740 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -14.049 1.659 -1.705 1.00 0.00 H new ATOM 943 N GLU B 28 -15.486 -2.232 -4.606 1.00 0.00 N ATOM 944 CA GLU B 28 -16.306 -3.176 -5.346 1.00 0.00 C ATOM 945 C GLU B 28 -15.697 -4.577 -5.275 1.00 0.00 C ATOM 946 O GLU B 28 -16.395 -5.547 -4.982 1.00 0.00 O ATOM 947 CB GLU B 28 -16.483 -2.727 -6.798 1.00 0.00 C ATOM 948 CG GLU B 28 -17.731 -3.358 -7.419 1.00 0.00 C ATOM 949 CD GLU B 28 -17.426 -3.928 -8.806 1.00 0.00 C ATOM 950 OE1 GLU B 28 -16.413 -4.653 -8.911 1.00 0.00 O ATOM 951 OE2 GLU B 28 -18.212 -3.625 -9.729 1.00 0.00 O ATOM 0 H GLU B 28 -14.844 -1.684 -5.179 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.294 -3.208 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.561 -1.641 -6.839 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.603 -3.005 -7.378 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -18.103 -4.151 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.521 -2.611 -7.495 1.00 0.00 H new ATOM 958 N LYS B 29 -14.402 -4.640 -5.549 1.00 0.00 N ATOM 959 CA LYS B 29 -13.696 -5.909 -5.541 1.00 0.00 C ATOM 960 C LYS B 29 -13.990 -6.643 -4.231 1.00 0.00 C ATOM 961 O LYS B 29 -14.625 -7.697 -4.235 1.00 0.00 O ATOM 962 CB LYS B 29 -12.204 -5.694 -5.803 1.00 0.00 C ATOM 963 CG LYS B 29 -11.434 -7.012 -5.702 1.00 0.00 C ATOM 964 CD LYS B 29 -11.005 -7.504 -7.086 1.00 0.00 C ATOM 965 CE LYS B 29 -11.945 -8.597 -7.596 1.00 0.00 C ATOM 966 NZ LYS B 29 -11.480 -9.114 -8.902 1.00 0.00 N ATOM 0 H LYS B 29 -13.823 -3.832 -5.778 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.050 -6.547 -6.351 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.064 -5.262 -6.794 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.804 -4.979 -5.084 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.555 -6.876 -5.072 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.058 -7.766 -5.221 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.999 -6.669 -7.787 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.986 -7.889 -7.039 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.992 -9.411 -6.872 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.955 -8.199 -7.695 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.130 -9.855 -9.233 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.458 -8.338 -9.594 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.525 -9.512 -8.798 1.00 0.00 H new ATOM 980 N PHE B 30 -13.515 -6.058 -3.142 1.00 0.00 N ATOM 981 CA PHE B 30 -13.684 -6.664 -1.832 1.00 0.00 C ATOM 982 C PHE B 30 -15.124 -6.511 -1.338 1.00 0.00 C ATOM 983 O PHE B 30 -15.487 -7.051 -0.295 1.00 0.00 O ATOM 984 CB PHE B 30 -12.748 -5.925 -0.873 1.00 0.00 C ATOM 985 CG PHE B 30 -11.266 -6.247 -1.079 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.694 -7.279 -0.403 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.521 -5.502 -1.939 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.319 -7.578 -0.594 1.00 0.00 C ATOM 989 CE2 PHE B 30 -9.146 -5.801 -2.130 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.574 -6.832 -1.453 1.00 0.00 C ATOM 0 H PHE B 30 -13.013 -5.170 -3.139 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.457 -7.729 -1.883 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -12.896 -4.852 -0.992 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -13.024 -6.173 0.152 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -11.286 -7.871 0.279 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.975 -4.683 -2.477 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.865 -8.398 -0.057 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.555 -5.209 -2.813 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.528 -7.059 -1.597 1.00 0.00 H new ATOM 1000 N GLY B 31 -15.905 -5.771 -2.111 1.00 0.00 N ATOM 1001 CA GLY B 31 -17.308 -5.572 -1.786 1.00 0.00 C ATOM 1002 C GLY B 31 -17.498 -5.365 -0.282 1.00 0.00 C ATOM 1003 O GLY B 31 -18.389 -5.959 0.322 1.00 0.00 O ATOM 0 H GLY B 31 -15.593 -5.302 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -17.691 -4.707 -2.327 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -17.887 -6.435 -2.114 1.00 0.00 H new ATOM 1007 N VAL B 32 -16.645 -4.520 0.279 1.00 0.00 N ATOM 1008 CA VAL B 32 -16.701 -4.235 1.702 1.00 0.00 C ATOM 1009 C VAL B 32 -17.304 -2.846 1.917 1.00 0.00 C ATOM 1010 O VAL B 32 -16.686 -1.987 2.545 1.00 0.00 O ATOM 1011 CB VAL B 32 -15.310 -4.386 2.321 1.00 0.00 C ATOM 1012 CG1 VAL B 32 -14.322 -3.399 1.695 1.00 0.00 C ATOM 1013 CG2 VAL B 32 -15.365 -4.218 3.841 1.00 0.00 C ATOM 0 H VAL B 32 -15.911 -4.024 -0.227 1.00 0.00 H new ATOM 0 HA VAL B 32 -17.347 -4.951 2.210 1.00 0.00 H new ATOM 0 HB VAL B 32 -14.956 -5.395 2.109 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -13.341 -3.527 2.152 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -14.250 -3.586 0.624 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -14.670 -2.380 1.863 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -14.363 -4.330 4.256 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -15.750 -3.228 4.084 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -16.021 -4.977 4.267 1.00 0.00 H new ATOM 1023 N SER B 33 -18.504 -2.667 1.384 1.00 0.00 N ATOM 1024 CA SER B 33 -19.199 -1.398 1.513 1.00 0.00 C ATOM 1025 C SER B 33 -20.709 -1.613 1.394 1.00 0.00 C ATOM 1026 O SER B 33 -21.154 -2.586 0.786 1.00 0.00 O ATOM 1027 CB SER B 33 -18.720 -0.398 0.459 1.00 0.00 C ATOM 1028 OG SER B 33 -17.326 -0.127 0.574 1.00 0.00 O ATOM 0 H SER B 33 -19.013 -3.380 0.862 1.00 0.00 H new ATOM 0 HA SER B 33 -18.974 -0.984 2.496 1.00 0.00 H new ATOM 0 HB2 SER B 33 -18.932 -0.790 -0.536 1.00 0.00 H new ATOM 0 HB3 SER B 33 -19.280 0.532 0.561 1.00 0.00 H new ATOM 0 HG SER B 33 -17.165 0.827 0.421 1.00 0.00 H new ATOM 1034 N ALA B 34 -21.454 -0.690 1.982 1.00 0.00 N ATOM 1035 CA ALA B 34 -22.905 -0.762 1.941 1.00 0.00 C ATOM 1036 C ALA B 34 -23.365 -2.072 2.582 1.00 0.00 C ATOM 1037 O ALA B 34 -23.743 -3.011 1.883 1.00 0.00 O ATOM 1038 CB ALA B 34 -23.383 -0.621 0.494 1.00 0.00 C ATOM 0 H ALA B 34 -21.081 0.112 2.490 1.00 0.00 H new ATOM 0 HA ALA B 34 -23.346 0.056 2.511 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -24.471 -0.675 0.463 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -23.056 0.339 0.095 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -22.963 -1.427 -0.108 1.00 0.00 H new ATOM 1044 N ALA B 35 -23.317 -2.095 3.906 1.00 0.00 N ATOM 1045 CA ALA B 35 -23.717 -3.278 4.649 1.00 0.00 C ATOM 1046 C ALA B 35 -23.729 -2.956 6.145 1.00 0.00 C ATOM 1047 O ALA B 35 -22.803 -3.319 6.869 1.00 0.00 O ATOM 1048 CB ALA B 35 -22.778 -4.437 4.310 1.00 0.00 C ATOM 0 H ALA B 35 -23.007 -1.313 4.483 1.00 0.00 H new ATOM 0 HA ALA B 35 -24.725 -3.583 4.369 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -23.079 -5.324 4.868 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -22.829 -4.646 3.241 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -21.756 -4.168 4.579 1.00 0.00 H new ATOM 1054 N ALA B 36 -24.787 -2.277 6.564 1.00 0.00 N ATOM 1055 CA ALA B 36 -24.929 -1.898 7.959 1.00 0.00 C ATOM 1056 C ALA B 36 -26.272 -1.194 8.158 1.00 0.00 C ATOM 1057 O ALA B 36 -26.949 -0.855 7.188 1.00 0.00 O ATOM 1058 CB ALA B 36 -23.745 -1.022 8.373 1.00 0.00 C ATOM 0 H ALA B 36 -25.554 -1.980 5.961 1.00 0.00 H new ATOM 0 HA ALA B 36 -24.922 -2.780 8.599 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -23.851 -0.737 9.420 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -22.817 -1.578 8.241 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -23.722 -0.125 7.754 1.00 0.00 H new ATOM 1064 N ALA B 37 -26.619 -0.995 9.421 1.00 0.00 N ATOM 1065 CA ALA B 37 -27.870 -0.338 9.759 1.00 0.00 C ATOM 1066 C ALA B 37 -27.603 1.140 10.049 1.00 0.00 C ATOM 1067 O ALA B 37 -27.986 2.009 9.268 1.00 0.00 O ATOM 1068 CB ALA B 37 -28.520 -1.056 10.944 1.00 0.00 C ATOM 0 H ALA B 37 -26.055 -1.277 10.223 1.00 0.00 H new ATOM 0 HA ALA B 37 -28.568 -0.389 8.923 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -29.459 -0.563 11.198 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -28.716 -2.095 10.677 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -27.849 -1.022 11.802 1.00 0.00 H new TER 1074 ALA B 37