USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=15 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 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= -0.108 USER MOD Single : A 4 LYS NZ :NH3+ 160:sc= 0.49 (180deg=0.181) USER MOD Single : A 6 GLN : amide:sc= -0.0789 K(o=-0.079,f=-1.2!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0658 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 90:sc= 0.232 USER MOD Single : A 26 MET CE :methyl 178:sc= -2.23! (180deg=-2.32!) 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= 0.00233 USER MOD Single : B 4 LYS NZ :NH3+ -154:sc= 1.2 (180deg=0.486) USER MOD Single : B 6 GLN : amide:sc=-0.00617 X(o=-0.0062,f=0) USER MOD Single : B 14 MET CE :methyl 176:sc= -0.0367 (180deg=-0.069) USER MOD Single : B 15 SER OG : rot 180:sc= 0.0737 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 85:sc= 0.727 USER MOD Single : B 26 MET CE :methyl 175:sc= -2.41! (180deg=-2.45!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 108:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.116 -2.184 -14.231 1.00 0.00 N ATOM 2 CA SER A 1 3.680 -2.397 -14.184 1.00 0.00 C ATOM 3 C SER A 1 3.118 -1.887 -12.855 1.00 0.00 C ATOM 4 O SER A 1 2.730 -2.678 -11.997 1.00 0.00 O ATOM 5 CB SER A 1 3.336 -3.876 -14.372 1.00 0.00 C ATOM 6 OG SER A 1 3.689 -4.345 -15.671 1.00 0.00 O ATOM 0 H1 SER A 1 5.489 -2.533 -15.137 1.00 0.00 H new ATOM 0 H2 SER A 1 5.319 -1.168 -14.141 1.00 0.00 H new ATOM 0 H3 SER A 1 5.569 -2.698 -13.449 1.00 0.00 H new ATOM 0 HA SER A 1 3.225 -1.839 -15.002 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.856 -4.468 -13.619 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.268 -4.023 -14.211 1.00 0.00 H new ATOM 0 HG SER A 1 3.455 -5.293 -15.751 1.00 0.00 H new ATOM 12 N ILE A 2 3.094 -0.569 -12.727 1.00 0.00 N ATOM 13 CA ILE A 2 2.576 0.057 -11.522 1.00 0.00 C ATOM 14 C ILE A 2 1.170 0.593 -11.794 1.00 0.00 C ATOM 15 O ILE A 2 0.922 1.791 -11.664 1.00 0.00 O ATOM 16 CB ILE A 2 3.551 1.119 -11.008 1.00 0.00 C ATOM 17 CG1 ILE A 2 4.996 0.622 -11.090 1.00 0.00 C ATOM 18 CG2 ILE A 2 3.178 1.567 -9.594 1.00 0.00 C ATOM 19 CD1 ILE A 2 5.971 1.689 -10.588 1.00 0.00 C ATOM 0 H ILE A 2 3.425 0.083 -13.438 1.00 0.00 H new ATOM 0 HA ILE A 2 2.488 -0.676 -10.720 1.00 0.00 H new ATOM 0 HB ILE A 2 3.475 1.994 -11.653 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.107 -0.285 -10.496 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.237 0.360 -12.120 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.887 2.322 -9.253 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.173 1.989 -9.599 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.208 0.710 -8.921 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.991 1.311 -10.657 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.875 2.586 -11.199 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.743 1.931 -9.550 1.00 0.00 H new ATOM 31 N THR A 3 0.284 -0.320 -12.166 1.00 0.00 N ATOM 32 CA THR A 3 -1.091 0.046 -12.456 1.00 0.00 C ATOM 33 C THR A 3 -1.938 -0.010 -11.184 1.00 0.00 C ATOM 34 O THR A 3 -1.570 -0.676 -10.217 1.00 0.00 O ATOM 35 CB THR A 3 -1.601 -0.875 -13.567 1.00 0.00 C ATOM 36 OG1 THR A 3 -1.289 -2.185 -13.102 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.794 -0.736 -14.859 1.00 0.00 C ATOM 0 H THR A 3 0.493 -1.313 -12.273 1.00 0.00 H new ATOM 0 HA THR A 3 -1.160 1.075 -12.809 1.00 0.00 H new ATOM 0 HB THR A 3 -2.649 -0.655 -13.769 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.587 -2.846 -13.761 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.197 -1.411 -15.614 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.858 0.291 -15.219 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.249 -0.989 -14.666 1.00 0.00 H new ATOM 45 N LYS A 4 -3.058 0.698 -11.225 1.00 0.00 N ATOM 46 CA LYS A 4 -3.960 0.738 -10.086 1.00 0.00 C ATOM 47 C LYS A 4 -4.343 -0.691 -9.694 1.00 0.00 C ATOM 48 O LYS A 4 -4.320 -1.042 -8.516 1.00 0.00 O ATOM 49 CB LYS A 4 -5.161 1.637 -10.386 1.00 0.00 C ATOM 50 CG LYS A 4 -4.839 3.101 -10.084 1.00 0.00 C ATOM 51 CD LYS A 4 -5.866 4.033 -10.731 1.00 0.00 C ATOM 52 CE LYS A 4 -5.533 4.278 -12.204 1.00 0.00 C ATOM 53 NZ LYS A 4 -6.770 4.509 -12.983 1.00 0.00 N ATOM 0 H LYS A 4 -3.361 1.248 -12.029 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.465 1.184 -9.223 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.446 1.532 -11.433 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.016 1.319 -9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.827 3.260 -9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.842 3.341 -10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.862 3.597 -10.647 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.888 4.983 -10.197 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.872 5.140 -12.295 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.996 3.420 -12.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.535 4.996 -13.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.221 3.597 -13.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.425 5.097 -12.429 1.00 0.00 H new ATOM 67 N ASP A 5 -4.687 -1.475 -10.705 1.00 0.00 N ATOM 68 CA ASP A 5 -5.131 -2.840 -10.475 1.00 0.00 C ATOM 69 C ASP A 5 -4.027 -3.617 -9.758 1.00 0.00 C ATOM 70 O ASP A 5 -4.290 -4.318 -8.782 1.00 0.00 O ATOM 71 CB ASP A 5 -5.429 -3.551 -11.797 1.00 0.00 C ATOM 72 CG ASP A 5 -6.795 -3.234 -12.409 1.00 0.00 C ATOM 73 OD1 ASP A 5 -7.686 -2.830 -11.631 1.00 0.00 O ATOM 74 OD2 ASP A 5 -6.917 -3.402 -13.642 1.00 0.00 O ATOM 0 H ASP A 5 -4.667 -1.192 -11.685 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.039 -2.803 -9.872 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.655 -3.286 -12.517 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.360 -4.627 -11.637 1.00 0.00 H new ATOM 79 N GLN A 6 -2.814 -3.468 -10.269 1.00 0.00 N ATOM 80 CA GLN A 6 -1.673 -4.172 -9.709 1.00 0.00 C ATOM 81 C GLN A 6 -1.591 -3.933 -8.200 1.00 0.00 C ATOM 82 O GLN A 6 -1.065 -4.767 -7.463 1.00 0.00 O ATOM 83 CB GLN A 6 -0.375 -3.753 -10.402 1.00 0.00 C ATOM 84 CG GLN A 6 -0.157 -4.553 -11.687 1.00 0.00 C ATOM 85 CD GLN A 6 0.470 -5.915 -11.386 1.00 0.00 C ATOM 86 OE1 GLN A 6 1.263 -6.074 -10.472 1.00 0.00 O ATOM 87 NE2 GLN A 6 0.073 -6.887 -12.202 1.00 0.00 N ATOM 0 H GLN A 6 -2.596 -2.869 -11.066 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.809 -5.240 -9.882 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.409 -2.688 -10.634 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.467 -3.905 -9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.109 -4.692 -12.199 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.489 -3.993 -12.363 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.594 -6.687 -12.948 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.435 -7.833 -12.082 1.00 0.00 H new ATOM 96 N ILE A 7 -2.118 -2.791 -7.784 1.00 0.00 N ATOM 97 CA ILE A 7 -2.072 -2.412 -6.382 1.00 0.00 C ATOM 98 C ILE A 7 -3.221 -3.093 -5.636 1.00 0.00 C ATOM 99 O ILE A 7 -3.094 -3.421 -4.458 1.00 0.00 O ATOM 100 CB ILE A 7 -2.064 -0.889 -6.238 1.00 0.00 C ATOM 101 CG1 ILE A 7 -0.809 -0.285 -6.873 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.221 -0.475 -4.774 1.00 0.00 C ATOM 103 CD1 ILE A 7 -0.922 1.237 -6.971 1.00 0.00 C ATOM 0 H ILE A 7 -2.579 -2.116 -8.393 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.145 -2.757 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.923 -0.491 -6.779 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.066 -0.551 -6.280 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.661 -0.707 -7.867 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.212 0.612 -4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.166 -0.857 -4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.397 -0.885 -4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.017 1.640 -7.426 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.784 1.499 -7.584 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.045 1.658 -5.973 1.00 0.00 H new ATOM 115 N ILE A 8 -4.318 -3.287 -6.354 1.00 0.00 N ATOM 116 CA ILE A 8 -5.488 -3.926 -5.776 1.00 0.00 C ATOM 117 C ILE A 8 -5.122 -5.345 -5.335 1.00 0.00 C ATOM 118 O ILE A 8 -5.465 -5.763 -4.230 1.00 0.00 O ATOM 119 CB ILE A 8 -6.666 -3.870 -6.751 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.960 -2.429 -7.172 1.00 0.00 C ATOM 121 CG2 ILE A 8 -7.898 -4.558 -6.162 1.00 0.00 C ATOM 122 CD1 ILE A 8 -7.501 -1.613 -5.996 1.00 0.00 C ATOM 0 H ILE A 8 -4.421 -3.013 -7.331 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.815 -3.389 -4.886 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.391 -4.419 -7.652 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.050 -1.965 -7.553 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.685 -2.425 -7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.721 -4.504 -6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.667 -5.603 -5.953 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.186 -4.059 -5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.702 -0.593 -6.323 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.424 -2.066 -5.633 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.764 -1.599 -5.193 1.00 0.00 H new ATOM 134 N GLU A 9 -4.432 -6.047 -6.221 1.00 0.00 N ATOM 135 CA GLU A 9 -4.023 -7.413 -5.940 1.00 0.00 C ATOM 136 C GLU A 9 -3.044 -7.442 -4.765 1.00 0.00 C ATOM 137 O GLU A 9 -2.822 -8.492 -4.163 1.00 0.00 O ATOM 138 CB GLU A 9 -3.412 -8.069 -7.180 1.00 0.00 C ATOM 139 CG GLU A 9 -4.475 -8.310 -8.253 1.00 0.00 C ATOM 140 CD GLU A 9 -3.870 -8.994 -9.480 1.00 0.00 C ATOM 141 OE1 GLU A 9 -3.026 -9.892 -9.271 1.00 0.00 O ATOM 142 OE2 GLU A 9 -4.266 -8.605 -10.600 1.00 0.00 O ATOM 0 H GLU A 9 -4.145 -5.696 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.908 -7.987 -5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.623 -7.433 -7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.948 -9.016 -6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.275 -8.928 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.923 -7.361 -8.546 1.00 0.00 H new ATOM 149 N ALA A 10 -2.484 -6.278 -4.473 1.00 0.00 N ATOM 150 CA ALA A 10 -1.494 -6.167 -3.415 1.00 0.00 C ATOM 151 C ALA A 10 -2.201 -6.189 -2.058 1.00 0.00 C ATOM 152 O ALA A 10 -1.743 -6.850 -1.126 1.00 0.00 O ATOM 153 CB ALA A 10 -0.666 -4.897 -3.620 1.00 0.00 C ATOM 0 H ALA A 10 -2.697 -5.402 -4.951 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.806 -7.012 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.076 -4.814 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.161 -4.943 -4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.322 -4.027 -3.595 1.00 0.00 H new ATOM 159 N VAL A 11 -3.304 -5.460 -1.989 1.00 0.00 N ATOM 160 CA VAL A 11 -4.075 -5.383 -0.759 1.00 0.00 C ATOM 161 C VAL A 11 -4.754 -6.730 -0.502 1.00 0.00 C ATOM 162 O VAL A 11 -5.084 -7.055 0.637 1.00 0.00 O ATOM 163 CB VAL A 11 -5.066 -4.219 -0.835 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.106 -4.311 0.284 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.336 -2.875 -0.796 1.00 0.00 C ATOM 0 H VAL A 11 -3.683 -4.917 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.421 -5.182 0.090 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.592 -4.287 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.798 -3.472 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.658 -5.246 0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.604 -4.280 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.063 -2.064 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.772 -2.794 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.652 -2.808 -1.642 1.00 0.00 H new ATOM 175 N ALA A 12 -4.941 -7.477 -1.580 1.00 0.00 N ATOM 176 CA ALA A 12 -5.564 -8.786 -1.484 1.00 0.00 C ATOM 177 C ALA A 12 -4.480 -9.849 -1.294 1.00 0.00 C ATOM 178 O ALA A 12 -4.745 -11.042 -1.428 1.00 0.00 O ATOM 179 CB ALA A 12 -6.416 -9.039 -2.730 1.00 0.00 C ATOM 0 H ALA A 12 -4.672 -7.201 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.227 -8.833 -0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.883 -10.021 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.189 -8.274 -2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.783 -9.002 -3.617 1.00 0.00 H new ATOM 185 N ALA A 13 -3.281 -9.377 -0.984 1.00 0.00 N ATOM 186 CA ALA A 13 -2.154 -10.272 -0.782 1.00 0.00 C ATOM 187 C ALA A 13 -1.795 -10.305 0.705 1.00 0.00 C ATOM 188 O ALA A 13 -1.232 -11.285 1.189 1.00 0.00 O ATOM 189 CB ALA A 13 -0.982 -9.821 -1.655 1.00 0.00 C ATOM 0 H ALA A 13 -3.066 -8.387 -0.868 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.412 -11.288 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.136 -10.492 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.280 -9.843 -2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.693 -8.806 -1.381 1.00 0.00 H new ATOM 195 N MET A 14 -2.136 -9.221 1.387 1.00 0.00 N ATOM 196 CA MET A 14 -1.809 -9.092 2.797 1.00 0.00 C ATOM 197 C MET A 14 -2.949 -9.614 3.674 1.00 0.00 C ATOM 198 O MET A 14 -4.037 -9.903 3.177 1.00 0.00 O ATOM 199 CB MET A 14 -1.544 -7.622 3.127 1.00 0.00 C ATOM 200 CG MET A 14 -0.370 -7.080 2.310 1.00 0.00 C ATOM 201 SD MET A 14 -0.702 -5.401 1.803 1.00 0.00 S ATOM 202 CE MET A 14 0.941 -4.889 1.328 1.00 0.00 C ATOM 0 H MET A 14 -2.635 -8.425 0.990 1.00 0.00 H new ATOM 0 HA MET A 14 -0.918 -9.686 3.000 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.438 -7.033 2.921 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.331 -7.517 4.191 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.544 -7.115 2.903 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.206 -7.707 1.434 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.915 -3.855 0.983 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.609 -4.968 2.186 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.304 -5.530 0.525 1.00 0.00 H new ATOM 212 N SER A 15 -2.661 -9.720 4.963 1.00 0.00 N ATOM 213 CA SER A 15 -3.644 -10.216 5.911 1.00 0.00 C ATOM 214 C SER A 15 -4.672 -9.125 6.219 1.00 0.00 C ATOM 215 O SER A 15 -4.412 -7.943 6.001 1.00 0.00 O ATOM 216 CB SER A 15 -2.973 -10.692 7.201 1.00 0.00 C ATOM 217 OG SER A 15 -1.721 -10.049 7.421 1.00 0.00 O ATOM 0 H SER A 15 -1.761 -9.471 5.373 1.00 0.00 H new ATOM 0 HA SER A 15 -4.153 -11.069 5.461 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.634 -10.498 8.046 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.823 -11.771 7.155 1.00 0.00 H new ATOM 0 HG SER A 15 -1.326 -10.379 8.255 1.00 0.00 H new ATOM 223 N VAL A 16 -5.818 -9.561 6.720 1.00 0.00 N ATOM 224 CA VAL A 16 -6.892 -8.638 7.044 1.00 0.00 C ATOM 225 C VAL A 16 -6.367 -7.567 8.001 1.00 0.00 C ATOM 226 O VAL A 16 -6.647 -6.382 7.827 1.00 0.00 O ATOM 227 CB VAL A 16 -8.091 -9.406 7.605 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.244 -8.457 7.938 1.00 0.00 C ATOM 229 CG2 VAL A 16 -8.544 -10.500 6.636 1.00 0.00 C ATOM 0 H VAL A 16 -6.026 -10.541 6.910 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.241 -8.128 6.146 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.776 -9.888 8.531 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.083 -9.029 8.335 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.915 -7.732 8.682 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.557 -7.933 7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.397 -11.030 7.059 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.832 -10.049 5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.726 -11.202 6.471 1.00 0.00 H new ATOM 239 N MET A 17 -5.615 -8.022 8.993 1.00 0.00 N ATOM 240 CA MET A 17 -5.049 -7.117 9.979 1.00 0.00 C ATOM 241 C MET A 17 -4.124 -6.093 9.317 1.00 0.00 C ATOM 242 O MET A 17 -4.231 -4.896 9.576 1.00 0.00 O ATOM 243 CB MET A 17 -4.263 -7.920 11.017 1.00 0.00 C ATOM 244 CG MET A 17 -5.175 -8.395 12.149 1.00 0.00 C ATOM 245 SD MET A 17 -4.227 -9.305 13.357 1.00 0.00 S ATOM 246 CE MET A 17 -5.417 -9.391 14.684 1.00 0.00 C ATOM 0 H MET A 17 -5.385 -9.005 9.135 1.00 0.00 H new ATOM 0 HA MET A 17 -5.865 -6.581 10.463 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.794 -8.780 10.538 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.460 -7.306 11.425 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.657 -7.539 12.622 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.968 -9.025 11.747 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.985 -9.932 15.526 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.684 -8.382 14.999 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.310 -9.912 14.339 1.00 0.00 H new ATOM 256 N ASP A 18 -3.237 -6.603 8.475 1.00 0.00 N ATOM 257 CA ASP A 18 -2.268 -5.753 7.805 1.00 0.00 C ATOM 258 C ASP A 18 -3.005 -4.737 6.929 1.00 0.00 C ATOM 259 O ASP A 18 -2.492 -3.651 6.666 1.00 0.00 O ATOM 260 CB ASP A 18 -1.346 -6.575 6.901 1.00 0.00 C ATOM 261 CG ASP A 18 -0.322 -5.760 6.110 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.755 -5.073 5.159 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.872 -5.842 6.473 1.00 0.00 O ATOM 0 H ASP A 18 -3.169 -7.594 8.242 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.673 -5.254 8.570 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.814 -7.302 7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.959 -7.139 6.199 1.00 0.00 H new ATOM 268 N VAL A 19 -4.197 -5.128 6.503 1.00 0.00 N ATOM 269 CA VAL A 19 -4.997 -4.278 5.637 1.00 0.00 C ATOM 270 C VAL A 19 -5.692 -3.207 6.481 1.00 0.00 C ATOM 271 O VAL A 19 -5.719 -2.036 6.105 1.00 0.00 O ATOM 272 CB VAL A 19 -5.977 -5.129 4.828 1.00 0.00 C ATOM 273 CG1 VAL A 19 -7.031 -4.254 4.146 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.238 -5.994 3.805 1.00 0.00 C ATOM 0 H VAL A 19 -4.628 -6.021 6.741 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.362 -3.763 4.916 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.492 -5.795 5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.715 -4.884 3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.590 -3.702 4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.540 -3.552 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.958 -6.589 3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.684 -5.353 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.545 -6.657 4.322 1.00 0.00 H new ATOM 284 N VAL A 20 -6.235 -3.646 7.607 1.00 0.00 N ATOM 285 CA VAL A 20 -6.924 -2.740 8.509 1.00 0.00 C ATOM 286 C VAL A 20 -5.986 -1.591 8.886 1.00 0.00 C ATOM 287 O VAL A 20 -6.413 -0.442 8.981 1.00 0.00 O ATOM 288 CB VAL A 20 -7.447 -3.508 9.724 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.826 -2.551 10.857 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.630 -4.400 9.342 1.00 0.00 C ATOM 0 H VAL A 20 -6.211 -4.618 7.915 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.794 -2.302 8.019 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.644 -4.152 10.083 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.195 -3.123 11.708 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.949 -1.978 11.157 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.604 -1.870 10.513 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.982 -4.935 10.224 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.437 -3.784 8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.315 -5.118 8.585 1.00 0.00 H new ATOM 300 N GLU A 21 -4.725 -1.943 9.091 1.00 0.00 N ATOM 301 CA GLU A 21 -3.721 -0.954 9.447 1.00 0.00 C ATOM 302 C GLU A 21 -3.448 -0.025 8.262 1.00 0.00 C ATOM 303 O GLU A 21 -3.368 1.191 8.429 1.00 0.00 O ATOM 304 CB GLU A 21 -2.433 -1.628 9.924 1.00 0.00 C ATOM 305 CG GLU A 21 -2.620 -2.251 11.309 1.00 0.00 C ATOM 306 CD GLU A 21 -1.353 -2.100 12.153 1.00 0.00 C ATOM 307 OE1 GLU A 21 -0.265 -2.363 11.595 1.00 0.00 O ATOM 308 OE2 GLU A 21 -1.500 -1.727 13.337 1.00 0.00 O ATOM 0 H GLU A 21 -4.376 -2.898 9.017 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.105 -0.355 10.272 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.136 -2.398 9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.626 -0.896 9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.458 -1.774 11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.869 -3.307 11.206 1.00 0.00 H new ATOM 315 N LEU A 22 -3.312 -0.633 7.093 1.00 0.00 N ATOM 316 CA LEU A 22 -3.063 0.126 5.879 1.00 0.00 C ATOM 317 C LEU A 22 -4.141 1.202 5.726 1.00 0.00 C ATOM 318 O LEU A 22 -3.839 2.394 5.743 1.00 0.00 O ATOM 319 CB LEU A 22 -2.954 -0.811 4.675 1.00 0.00 C ATOM 320 CG LEU A 22 -2.422 -0.184 3.384 1.00 0.00 C ATOM 321 CD1 LEU A 22 -0.894 -0.114 3.398 1.00 0.00 C ATOM 322 CD2 LEU A 22 -2.951 -0.927 2.155 1.00 0.00 C ATOM 0 H LEU A 22 -3.369 -1.643 6.960 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.104 0.641 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.305 -1.644 4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.941 -1.228 4.473 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.791 0.840 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.542 0.335 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.565 0.492 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.485 -1.120 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.558 -0.461 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.632 -1.969 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.040 -0.881 2.143 1.00 0.00 H new ATOM 334 N ILE A 23 -5.375 0.741 5.579 1.00 0.00 N ATOM 335 CA ILE A 23 -6.494 1.648 5.394 1.00 0.00 C ATOM 336 C ILE A 23 -6.479 2.704 6.502 1.00 0.00 C ATOM 337 O ILE A 23 -6.696 3.886 6.241 1.00 0.00 O ATOM 338 CB ILE A 23 -7.807 0.868 5.306 1.00 0.00 C ATOM 339 CG1 ILE A 23 -8.078 0.410 3.872 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.969 1.683 5.877 1.00 0.00 C ATOM 341 CD1 ILE A 23 -6.926 -0.446 3.342 1.00 0.00 C ATOM 0 H ILE A 23 -5.624 -0.248 5.584 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.401 2.179 4.446 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.712 -0.029 5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.006 -0.161 3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.216 1.279 3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.890 1.105 5.802 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.771 1.916 6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.075 2.610 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.145 -0.758 2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.005 0.136 3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.807 -1.327 3.973 1.00 0.00 H new ATOM 353 N SER A 24 -6.221 2.238 7.715 1.00 0.00 N ATOM 354 CA SER A 24 -6.232 3.117 8.872 1.00 0.00 C ATOM 355 C SER A 24 -5.203 4.234 8.690 1.00 0.00 C ATOM 356 O SER A 24 -5.453 5.380 9.060 1.00 0.00 O ATOM 357 CB SER A 24 -5.949 2.338 10.158 1.00 0.00 C ATOM 358 OG SER A 24 -7.139 1.808 10.735 1.00 0.00 O ATOM 0 H SER A 24 -6.003 1.263 7.922 1.00 0.00 H new ATOM 0 HA SER A 24 -7.225 3.558 8.958 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.257 1.524 9.944 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.458 2.993 10.878 1.00 0.00 H new ATOM 0 HG SER A 24 -7.310 0.915 10.370 1.00 0.00 H new ATOM 364 N ALA A 25 -4.067 3.861 8.120 1.00 0.00 N ATOM 365 CA ALA A 25 -2.992 4.814 7.899 1.00 0.00 C ATOM 366 C ALA A 25 -3.482 5.921 6.964 1.00 0.00 C ATOM 367 O ALA A 25 -3.597 7.076 7.371 1.00 0.00 O ATOM 368 CB ALA A 25 -1.767 4.083 7.345 1.00 0.00 C ATOM 0 H ALA A 25 -3.867 2.912 7.804 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.695 5.282 8.838 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.961 4.798 7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.441 3.327 8.059 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.026 3.603 6.401 1.00 0.00 H new ATOM 374 N MET A 26 -3.758 5.530 5.729 1.00 0.00 N ATOM 375 CA MET A 26 -4.197 6.482 4.723 1.00 0.00 C ATOM 376 C MET A 26 -5.318 7.373 5.263 1.00 0.00 C ATOM 377 O MET A 26 -5.347 8.572 4.993 1.00 0.00 O ATOM 378 CB MET A 26 -4.695 5.727 3.488 1.00 0.00 C ATOM 379 CG MET A 26 -3.532 5.065 2.745 1.00 0.00 C ATOM 380 SD MET A 26 -4.118 4.330 1.228 1.00 0.00 S ATOM 381 CE MET A 26 -2.837 3.117 0.957 1.00 0.00 C ATOM 0 H MET A 26 -3.686 4.567 5.402 1.00 0.00 H new ATOM 0 HA MET A 26 -3.351 7.116 4.456 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.418 4.969 3.788 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.213 6.416 2.821 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.761 5.804 2.527 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.074 4.303 3.375 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.067 2.539 0.062 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.880 3.622 0.827 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.781 2.448 1.816 1.00 0.00 H new ATOM 391 N GLU A 27 -6.214 6.751 6.016 1.00 0.00 N ATOM 392 CA GLU A 27 -7.341 7.469 6.584 1.00 0.00 C ATOM 393 C GLU A 27 -6.856 8.716 7.327 1.00 0.00 C ATOM 394 O GLU A 27 -7.387 9.808 7.128 1.00 0.00 O ATOM 395 CB GLU A 27 -8.159 6.564 7.508 1.00 0.00 C ATOM 396 CG GLU A 27 -9.152 5.719 6.709 1.00 0.00 C ATOM 397 CD GLU A 27 -10.472 6.466 6.508 1.00 0.00 C ATOM 398 OE1 GLU A 27 -11.068 6.851 7.537 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.855 6.637 5.331 1.00 0.00 O ATOM 0 H GLU A 27 -6.182 5.758 6.245 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.993 7.785 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.490 5.912 8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.696 7.172 8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.722 5.466 5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.337 4.780 7.230 1.00 0.00 H new ATOM 406 N GLU A 28 -5.853 8.511 8.169 1.00 0.00 N ATOM 407 CA GLU A 28 -5.318 9.597 8.973 1.00 0.00 C ATOM 408 C GLU A 28 -4.360 10.452 8.141 1.00 0.00 C ATOM 409 O GLU A 28 -4.431 11.679 8.173 1.00 0.00 O ATOM 410 CB GLU A 28 -4.626 9.060 10.227 1.00 0.00 C ATOM 411 CG GLU A 28 -4.049 10.202 11.066 1.00 0.00 C ATOM 412 CD GLU A 28 -3.739 9.734 12.490 1.00 0.00 C ATOM 413 OE1 GLU A 28 -4.690 9.265 13.152 1.00 0.00 O ATOM 414 OE2 GLU A 28 -2.559 9.857 12.883 1.00 0.00 O ATOM 0 H GLU A 28 -5.397 7.610 8.312 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.147 10.227 9.296 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.338 8.489 10.823 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.828 8.375 9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.140 10.579 10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.758 11.029 11.097 1.00 0.00 H new ATOM 421 N LYS A 29 -3.486 9.769 7.416 1.00 0.00 N ATOM 422 CA LYS A 29 -2.495 10.450 6.601 1.00 0.00 C ATOM 423 C LYS A 29 -3.186 11.520 5.753 1.00 0.00 C ATOM 424 O LYS A 29 -2.981 12.714 5.965 1.00 0.00 O ATOM 425 CB LYS A 29 -1.690 9.440 5.781 1.00 0.00 C ATOM 426 CG LYS A 29 -0.718 10.151 4.837 1.00 0.00 C ATOM 427 CD LYS A 29 0.519 10.642 5.592 1.00 0.00 C ATOM 428 CE LYS A 29 1.545 11.245 4.630 1.00 0.00 C ATOM 429 NZ LYS A 29 2.341 10.177 3.985 1.00 0.00 N ATOM 0 H LYS A 29 -3.444 8.751 7.376 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.770 10.963 7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.136 8.781 6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.368 8.811 5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.416 9.471 4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.218 10.995 4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.226 11.388 6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.970 9.813 6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.035 11.837 3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.205 11.922 5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.032 10.603 3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.842 9.630 4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.709 9.546 3.452 1.00 0.00 H new ATOM 443 N PHE A 30 -3.991 11.053 4.810 1.00 0.00 N ATOM 444 CA PHE A 30 -4.704 11.954 3.920 1.00 0.00 C ATOM 445 C PHE A 30 -5.880 12.617 4.640 1.00 0.00 C ATOM 446 O PHE A 30 -6.544 13.488 4.079 1.00 0.00 O ATOM 447 CB PHE A 30 -5.240 11.109 2.763 1.00 0.00 C ATOM 448 CG PHE A 30 -4.150 10.421 1.938 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.233 11.168 1.267 1.00 0.00 C ATOM 450 CD2 PHE A 30 -4.100 9.064 1.875 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.222 10.530 0.501 1.00 0.00 C ATOM 452 CE2 PHE A 30 -3.089 8.426 1.109 1.00 0.00 C ATOM 453 CZ PHE A 30 -2.171 9.172 0.438 1.00 0.00 C ATOM 0 H PHE A 30 -4.165 10.062 4.643 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.035 12.741 3.572 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.913 10.350 3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.832 11.746 2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.274 12.246 1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.829 8.471 2.407 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.493 11.123 -0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.049 7.348 1.059 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.402 8.687 -0.145 1.00 0.00 H new ATOM 463 N GLY A 31 -6.102 12.181 5.871 1.00 0.00 N ATOM 464 CA GLY A 31 -7.172 12.738 6.681 1.00 0.00 C ATOM 465 C GLY A 31 -8.479 12.809 5.888 1.00 0.00 C ATOM 466 O GLY A 31 -9.063 13.882 5.742 1.00 0.00 O ATOM 0 H GLY A 31 -5.559 11.448 6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.315 12.126 7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.894 13.736 7.021 1.00 0.00 H new ATOM 470 N VAL A 32 -8.901 11.653 5.398 1.00 0.00 N ATOM 471 CA VAL A 32 -10.149 11.563 4.659 1.00 0.00 C ATOM 472 C VAL A 32 -11.051 10.516 5.316 1.00 0.00 C ATOM 473 O VAL A 32 -11.338 9.479 4.721 1.00 0.00 O ATOM 474 CB VAL A 32 -9.865 11.269 3.185 1.00 0.00 C ATOM 475 CG1 VAL A 32 -11.155 11.290 2.363 1.00 0.00 C ATOM 476 CG2 VAL A 32 -8.837 12.249 2.618 1.00 0.00 C ATOM 0 H VAL A 32 -8.401 10.770 5.498 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.680 12.514 4.689 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.443 10.266 3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.925 11.078 1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.841 10.534 2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.619 12.273 2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.654 12.017 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.218 13.266 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.905 12.163 3.177 1.00 0.00 H new ATOM 486 N SER A 33 -11.473 10.824 6.533 1.00 0.00 N ATOM 487 CA SER A 33 -12.350 9.930 7.270 1.00 0.00 C ATOM 488 C SER A 33 -13.759 10.522 7.343 1.00 0.00 C ATOM 489 O SER A 33 -13.921 11.737 7.444 1.00 0.00 O ATOM 490 CB SER A 33 -11.811 9.667 8.678 1.00 0.00 C ATOM 491 OG SER A 33 -11.942 10.807 9.521 1.00 0.00 O ATOM 0 H SER A 33 -11.224 11.681 7.028 1.00 0.00 H new ATOM 0 HA SER A 33 -12.390 8.977 6.742 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.346 8.826 9.120 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.761 9.380 8.617 1.00 0.00 H new ATOM 0 HG SER A 33 -11.588 10.598 10.411 1.00 0.00 H new ATOM 497 N ALA A 34 -14.742 9.635 7.289 1.00 0.00 N ATOM 498 CA ALA A 34 -16.131 10.053 7.360 1.00 0.00 C ATOM 499 C ALA A 34 -16.511 10.768 6.062 1.00 0.00 C ATOM 500 O ALA A 34 -16.227 11.953 5.896 1.00 0.00 O ATOM 501 CB ALA A 34 -16.337 10.935 8.594 1.00 0.00 C ATOM 0 H ALA A 34 -14.604 8.629 7.197 1.00 0.00 H new ATOM 0 HA ALA A 34 -16.787 9.189 7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -17.380 11.249 8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -16.082 10.371 9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -15.697 11.814 8.524 1.00 0.00 H new ATOM 507 N ALA A 35 -17.148 10.018 5.175 1.00 0.00 N ATOM 508 CA ALA A 35 -17.567 10.564 3.896 1.00 0.00 C ATOM 509 C ALA A 35 -18.689 9.699 3.319 1.00 0.00 C ATOM 510 O ALA A 35 -18.436 8.798 2.522 1.00 0.00 O ATOM 511 CB ALA A 35 -16.361 10.654 2.959 1.00 0.00 C ATOM 0 H ALA A 35 -17.384 9.036 5.317 1.00 0.00 H new ATOM 0 HA ALA A 35 -17.960 11.573 4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -16.676 11.064 1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -15.605 11.303 3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.942 9.659 2.809 1.00 0.00 H new ATOM 517 N ALA A 36 -19.906 10.004 3.746 1.00 0.00 N ATOM 518 CA ALA A 36 -21.071 9.279 3.266 1.00 0.00 C ATOM 519 C ALA A 36 -20.970 9.108 1.749 1.00 0.00 C ATOM 520 O ALA A 36 -20.236 9.839 1.086 1.00 0.00 O ATOM 521 CB ALA A 36 -22.342 10.019 3.687 1.00 0.00 C ATOM 0 H ALA A 36 -20.111 10.743 4.419 1.00 0.00 H new ATOM 0 HA ALA A 36 -21.113 8.283 3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -23.216 9.475 3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -22.380 10.088 4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -22.337 11.022 3.260 1.00 0.00 H new ATOM 527 N ALA A 37 -21.719 8.139 1.244 1.00 0.00 N ATOM 528 CA ALA A 37 -21.717 7.857 -0.182 1.00 0.00 C ATOM 529 C ALA A 37 -20.306 7.456 -0.616 1.00 0.00 C ATOM 530 O ALA A 37 -19.414 8.299 -0.697 1.00 0.00 O ATOM 531 CB ALA A 37 -22.237 9.078 -0.944 1.00 0.00 C ATOM 0 H ALA A 37 -22.332 7.539 1.797 1.00 0.00 H new ATOM 0 HA ALA A 37 -22.381 7.023 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -22.236 8.867 -2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -23.253 9.304 -0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -21.593 9.934 -0.742 1.00 0.00 H new TER 537 ALA A 37 ATOM 538 N SER B 1 11.266 -4.451 0.601 1.00 0.00 N ATOM 539 CA SER B 1 10.707 -3.550 1.595 1.00 0.00 C ATOM 540 C SER B 1 9.255 -3.220 1.243 1.00 0.00 C ATOM 541 O SER B 1 8.956 -2.112 0.800 1.00 0.00 O ATOM 542 CB SER B 1 11.532 -2.266 1.701 1.00 0.00 C ATOM 543 OG SER B 1 12.861 -2.522 2.148 1.00 0.00 O ATOM 0 H1 SER B 1 12.252 -4.670 0.847 1.00 0.00 H new ATOM 0 H2 SER B 1 10.711 -5.330 0.578 1.00 0.00 H new ATOM 0 H3 SER B 1 11.235 -3.998 -0.335 1.00 0.00 H new ATOM 0 HA SER B 1 10.736 -4.049 2.564 1.00 0.00 H new ATOM 0 HB2 SER B 1 11.565 -1.774 0.729 1.00 0.00 H new ATOM 0 HB3 SER B 1 11.044 -1.577 2.390 1.00 0.00 H new ATOM 0 HG SER B 1 13.356 -1.678 2.201 1.00 0.00 H new ATOM 549 N ILE B 2 8.390 -4.202 1.454 1.00 0.00 N ATOM 550 CA ILE B 2 6.976 -4.027 1.172 1.00 0.00 C ATOM 551 C ILE B 2 6.226 -3.777 2.482 1.00 0.00 C ATOM 552 O ILE B 2 5.325 -4.535 2.840 1.00 0.00 O ATOM 553 CB ILE B 2 6.438 -5.216 0.373 1.00 0.00 C ATOM 554 CG1 ILE B 2 7.407 -5.608 -0.745 1.00 0.00 C ATOM 555 CG2 ILE B 2 5.034 -4.927 -0.162 1.00 0.00 C ATOM 556 CD1 ILE B 2 6.857 -6.780 -1.561 1.00 0.00 C ATOM 0 H ILE B 2 8.642 -5.121 1.817 1.00 0.00 H new ATOM 0 HA ILE B 2 6.819 -3.151 0.542 1.00 0.00 H new ATOM 0 HB ILE B 2 6.357 -6.071 1.045 1.00 0.00 H new ATOM 0 HG12 ILE B 2 7.578 -4.753 -1.399 1.00 0.00 H new ATOM 0 HG13 ILE B 2 8.372 -5.879 -0.316 1.00 0.00 H new ATOM 0 HG21 ILE B 2 4.675 -5.788 -0.726 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.360 -4.733 0.672 1.00 0.00 H new ATOM 0 HG23 ILE B 2 5.066 -4.054 -0.814 1.00 0.00 H new ATOM 0 HD11 ILE B 2 7.565 -7.039 -2.349 1.00 0.00 H new ATOM 0 HD12 ILE B 2 6.710 -7.641 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE B 2 5.904 -6.497 -2.008 1.00 0.00 H new ATOM 568 N THR B 3 6.626 -2.713 3.162 1.00 0.00 N ATOM 569 CA THR B 3 6.001 -2.352 4.423 1.00 0.00 C ATOM 570 C THR B 3 4.713 -1.565 4.175 1.00 0.00 C ATOM 571 O THR B 3 4.533 -0.984 3.105 1.00 0.00 O ATOM 572 CB THR B 3 7.029 -1.587 5.258 1.00 0.00 C ATOM 573 OG1 THR B 3 7.494 -0.563 4.383 1.00 0.00 O ATOM 574 CG2 THR B 3 8.279 -2.419 5.556 1.00 0.00 C ATOM 0 H THR B 3 7.376 -2.089 2.863 1.00 0.00 H new ATOM 0 HA THR B 3 5.700 -3.238 4.983 1.00 0.00 H new ATOM 0 HB THR B 3 6.572 -1.271 6.196 1.00 0.00 H new ATOM 0 HG1 THR B 3 8.164 -0.017 4.845 1.00 0.00 H new ATOM 0 HG21 THR B 3 8.976 -1.829 6.151 1.00 0.00 H new ATOM 0 HG22 THR B 3 7.997 -3.314 6.110 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.756 -2.707 4.619 1.00 0.00 H new ATOM 582 N LYS B 4 3.850 -1.571 5.180 1.00 0.00 N ATOM 583 CA LYS B 4 2.585 -0.863 5.085 1.00 0.00 C ATOM 584 C LYS B 4 2.850 0.598 4.715 1.00 0.00 C ATOM 585 O LYS B 4 2.199 1.145 3.827 1.00 0.00 O ATOM 586 CB LYS B 4 1.777 -1.034 6.373 1.00 0.00 C ATOM 587 CG LYS B 4 0.999 -2.352 6.361 1.00 0.00 C ATOM 588 CD LYS B 4 0.564 -2.745 7.774 1.00 0.00 C ATOM 589 CE LYS B 4 1.707 -3.426 8.530 1.00 0.00 C ATOM 590 NZ LYS B 4 1.320 -3.679 9.936 1.00 0.00 N ATOM 0 H LYS B 4 4.002 -2.055 6.065 1.00 0.00 H new ATOM 0 HA LYS B 4 1.970 -1.287 4.291 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.447 -1.011 7.233 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.085 -0.200 6.486 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.122 -2.255 5.721 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.619 -3.141 5.935 1.00 0.00 H new ATOM 0 HD2 LYS B 4 0.241 -1.858 8.319 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -0.293 -3.417 7.721 1.00 0.00 H new ATOM 0 HE2 LYS B 4 1.964 -4.366 8.042 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.597 -2.797 8.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.173 -3.716 10.530 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 0.700 -2.913 10.268 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 0.815 -4.586 9.999 1.00 0.00 H new ATOM 604 N ASP B 5 3.808 1.188 5.415 1.00 0.00 N ATOM 605 CA ASP B 5 4.134 2.589 5.206 1.00 0.00 C ATOM 606 C ASP B 5 4.513 2.806 3.740 1.00 0.00 C ATOM 607 O ASP B 5 4.062 3.764 3.114 1.00 0.00 O ATOM 608 CB ASP B 5 5.323 3.013 6.070 1.00 0.00 C ATOM 609 CG ASP B 5 4.977 3.372 7.516 1.00 0.00 C ATOM 610 OD1 ASP B 5 4.658 4.559 7.745 1.00 0.00 O ATOM 611 OD2 ASP B 5 5.038 2.452 8.360 1.00 0.00 O ATOM 0 H ASP B 5 4.369 0.721 6.128 1.00 0.00 H new ATOM 0 HA ASP B 5 3.261 3.183 5.478 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.054 2.204 6.077 1.00 0.00 H new ATOM 0 HB3 ASP B 5 5.804 3.873 5.603 1.00 0.00 H new ATOM 616 N GLN B 6 5.338 1.900 3.235 1.00 0.00 N ATOM 617 CA GLN B 6 5.842 2.021 1.877 1.00 0.00 C ATOM 618 C GLN B 6 4.685 2.238 0.899 1.00 0.00 C ATOM 619 O GLN B 6 4.864 2.848 -0.154 1.00 0.00 O ATOM 620 CB GLN B 6 6.668 0.794 1.487 1.00 0.00 C ATOM 621 CG GLN B 6 8.139 0.982 1.860 1.00 0.00 C ATOM 622 CD GLN B 6 8.892 1.735 0.761 1.00 0.00 C ATOM 623 OE1 GLN B 6 9.169 1.213 -0.306 1.00 0.00 O ATOM 624 NE2 GLN B 6 9.205 2.988 1.080 1.00 0.00 N ATOM 0 H GLN B 6 5.670 1.079 3.742 1.00 0.00 H new ATOM 0 HA GLN B 6 6.499 2.889 1.830 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.272 -0.089 1.988 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.581 0.618 0.415 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.212 1.532 2.798 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.604 0.010 2.023 1.00 0.00 H new ATOM 0 HE21 GLN B 6 8.943 3.363 1.992 1.00 0.00 H new ATOM 0 HE22 GLN B 6 9.707 3.574 0.413 1.00 0.00 H new ATOM 633 N ILE B 7 3.525 1.724 1.281 1.00 0.00 N ATOM 634 CA ILE B 7 2.344 1.838 0.442 1.00 0.00 C ATOM 635 C ILE B 7 1.678 3.193 0.688 1.00 0.00 C ATOM 636 O ILE B 7 1.086 3.772 -0.222 1.00 0.00 O ATOM 637 CB ILE B 7 1.412 0.645 0.665 1.00 0.00 C ATOM 638 CG1 ILE B 7 1.914 -0.590 -0.086 1.00 0.00 C ATOM 639 CG2 ILE B 7 -0.029 0.998 0.291 1.00 0.00 C ATOM 640 CD1 ILE B 7 2.991 -1.321 0.718 1.00 0.00 C ATOM 0 H ILE B 7 3.378 1.228 2.160 1.00 0.00 H new ATOM 0 HA ILE B 7 2.620 1.805 -0.612 1.00 0.00 H new ATOM 0 HB ILE B 7 1.418 0.400 1.727 1.00 0.00 H new ATOM 0 HG12 ILE B 7 1.081 -1.265 -0.282 1.00 0.00 H new ATOM 0 HG13 ILE B 7 2.317 -0.292 -1.054 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.671 0.133 0.459 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.372 1.829 0.907 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.073 1.284 -0.760 1.00 0.00 H new ATOM 0 HD11 ILE B 7 3.330 -2.195 0.161 1.00 0.00 H new ATOM 0 HD12 ILE B 7 3.833 -0.651 0.891 1.00 0.00 H new ATOM 0 HD13 ILE B 7 2.578 -1.639 1.675 1.00 0.00 H new ATOM 652 N ILE B 8 1.796 3.659 1.922 1.00 0.00 N ATOM 653 CA ILE B 8 1.203 4.931 2.302 1.00 0.00 C ATOM 654 C ILE B 8 1.801 6.045 1.440 1.00 0.00 C ATOM 655 O ILE B 8 1.077 6.908 0.945 1.00 0.00 O ATOM 656 CB ILE B 8 1.358 5.167 3.805 1.00 0.00 C ATOM 657 CG1 ILE B 8 0.773 4.001 4.606 1.00 0.00 C ATOM 658 CG2 ILE B 8 0.746 6.508 4.216 1.00 0.00 C ATOM 659 CD1 ILE B 8 -0.659 3.696 4.164 1.00 0.00 C ATOM 0 H ILE B 8 2.293 3.179 2.672 1.00 0.00 H new ATOM 0 HA ILE B 8 0.129 4.922 2.113 1.00 0.00 H new ATOM 0 HB ILE B 8 2.422 5.215 4.035 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.395 3.116 4.473 1.00 0.00 H new ATOM 0 HG13 ILE B 8 0.786 4.243 5.669 1.00 0.00 H new ATOM 0 HG21 ILE B 8 0.870 6.651 5.289 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.247 7.316 3.682 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -0.316 6.514 3.969 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -1.051 2.864 4.749 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -1.283 4.576 4.321 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.665 3.431 3.107 1.00 0.00 H new ATOM 671 N GLU B 9 3.116 5.990 1.286 1.00 0.00 N ATOM 672 CA GLU B 9 3.822 6.998 0.514 1.00 0.00 C ATOM 673 C GLU B 9 3.619 6.758 -0.983 1.00 0.00 C ATOM 674 O GLU B 9 3.868 7.646 -1.797 1.00 0.00 O ATOM 675 CB GLU B 9 5.310 7.017 0.869 1.00 0.00 C ATOM 676 CG GLU B 9 6.018 5.772 0.333 1.00 0.00 C ATOM 677 CD GLU B 9 6.954 6.130 -0.824 1.00 0.00 C ATOM 678 OE1 GLU B 9 6.443 6.217 -1.961 1.00 0.00 O ATOM 679 OE2 GLU B 9 8.160 6.307 -0.544 1.00 0.00 O ATOM 0 H GLU B 9 3.711 5.263 1.683 1.00 0.00 H new ATOM 0 HA GLU B 9 3.409 7.975 0.765 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.775 7.911 0.454 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.429 7.069 1.951 1.00 0.00 H new ATOM 0 HG2 GLU B 9 6.587 5.300 1.134 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.279 5.045 -0.004 1.00 0.00 H new ATOM 686 N ALA B 10 3.167 5.554 -1.301 1.00 0.00 N ATOM 687 CA ALA B 10 2.952 5.178 -2.688 1.00 0.00 C ATOM 688 C ALA B 10 1.654 5.815 -3.189 1.00 0.00 C ATOM 689 O ALA B 10 1.573 6.248 -4.337 1.00 0.00 O ATOM 690 CB ALA B 10 2.936 3.652 -2.807 1.00 0.00 C ATOM 0 H ALA B 10 2.944 4.826 -0.622 1.00 0.00 H new ATOM 0 HA ALA B 10 3.764 5.546 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.775 3.370 -3.847 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.890 3.250 -2.466 1.00 0.00 H new ATOM 0 HB3 ALA B 10 2.132 3.248 -2.193 1.00 0.00 H new ATOM 696 N VAL B 11 0.670 5.851 -2.302 1.00 0.00 N ATOM 697 CA VAL B 11 -0.621 6.426 -2.641 1.00 0.00 C ATOM 698 C VAL B 11 -0.515 7.952 -2.625 1.00 0.00 C ATOM 699 O VAL B 11 -1.299 8.639 -3.278 1.00 0.00 O ATOM 700 CB VAL B 11 -1.697 5.892 -1.692 1.00 0.00 C ATOM 701 CG1 VAL B 11 -2.988 6.703 -1.815 1.00 0.00 C ATOM 702 CG2 VAL B 11 -1.957 4.405 -1.941 1.00 0.00 C ATOM 0 H VAL B 11 0.741 5.492 -1.350 1.00 0.00 H new ATOM 0 HA VAL B 11 -0.918 6.131 -3.647 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.329 6.002 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.736 6.303 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.788 7.745 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.361 6.640 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.725 4.050 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.294 4.261 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.037 3.843 -1.779 1.00 0.00 H new ATOM 712 N ALA B 12 0.461 8.438 -1.872 1.00 0.00 N ATOM 713 CA ALA B 12 0.683 9.870 -1.767 1.00 0.00 C ATOM 714 C ALA B 12 1.647 10.315 -2.868 1.00 0.00 C ATOM 715 O ALA B 12 2.203 11.410 -2.807 1.00 0.00 O ATOM 716 CB ALA B 12 1.203 10.204 -0.367 1.00 0.00 C ATOM 0 H ALA B 12 1.107 7.865 -1.329 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.251 10.414 -1.907 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.370 11.278 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.469 9.895 0.377 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.141 9.677 -0.192 1.00 0.00 H new ATOM 722 N ALA B 13 1.817 9.442 -3.850 1.00 0.00 N ATOM 723 CA ALA B 13 2.715 9.725 -4.957 1.00 0.00 C ATOM 724 C ALA B 13 1.893 10.049 -6.206 1.00 0.00 C ATOM 725 O ALA B 13 2.375 10.728 -7.111 1.00 0.00 O ATOM 726 CB ALA B 13 3.653 8.535 -5.170 1.00 0.00 C ATOM 0 H ALA B 13 1.348 8.538 -3.902 1.00 0.00 H new ATOM 0 HA ALA B 13 3.334 10.594 -4.736 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.327 8.747 -6.000 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.235 8.364 -4.265 1.00 0.00 H new ATOM 0 HB3 ALA B 13 3.066 7.645 -5.397 1.00 0.00 H new ATOM 732 N MET B 14 0.666 9.549 -6.214 1.00 0.00 N ATOM 733 CA MET B 14 -0.221 9.761 -7.345 1.00 0.00 C ATOM 734 C MET B 14 -1.235 10.867 -7.046 1.00 0.00 C ATOM 735 O MET B 14 -1.292 11.377 -5.928 1.00 0.00 O ATOM 736 CB MET B 14 -0.962 8.461 -7.664 1.00 0.00 C ATOM 737 CG MET B 14 0.013 7.370 -8.113 1.00 0.00 C ATOM 738 SD MET B 14 0.106 6.088 -6.874 1.00 0.00 S ATOM 739 CE MET B 14 -1.374 5.171 -7.265 1.00 0.00 C ATOM 0 H MET B 14 0.265 8.998 -5.455 1.00 0.00 H new ATOM 0 HA MET B 14 0.380 10.066 -8.202 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.509 8.125 -6.783 1.00 0.00 H new ATOM 0 HB3 MET B 14 -1.698 8.641 -8.447 1.00 0.00 H new ATOM 0 HG2 MET B 14 -0.314 6.947 -9.063 1.00 0.00 H new ATOM 0 HG3 MET B 14 1.001 7.799 -8.279 1.00 0.00 H new ATOM 0 HE1 MET B 14 -1.434 4.289 -6.628 1.00 0.00 H new ATOM 0 HE2 MET B 14 -2.247 5.801 -7.096 1.00 0.00 H new ATOM 0 HE3 MET B 14 -1.346 4.863 -8.310 1.00 0.00 H new ATOM 749 N SER B 15 -2.012 11.205 -8.065 1.00 0.00 N ATOM 750 CA SER B 15 -3.000 12.262 -7.935 1.00 0.00 C ATOM 751 C SER B 15 -4.233 11.737 -7.195 1.00 0.00 C ATOM 752 O SER B 15 -4.455 10.529 -7.132 1.00 0.00 O ATOM 753 CB SER B 15 -3.399 12.816 -9.304 1.00 0.00 C ATOM 754 OG SER B 15 -3.194 11.864 -10.345 1.00 0.00 O ATOM 0 H SER B 15 -1.977 10.765 -8.985 1.00 0.00 H new ATOM 0 HA SER B 15 -2.557 13.075 -7.360 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.448 13.111 -9.284 1.00 0.00 H new ATOM 0 HB3 SER B 15 -2.819 13.714 -9.515 1.00 0.00 H new ATOM 0 HG SER B 15 -3.462 12.255 -11.203 1.00 0.00 H new ATOM 760 N VAL B 16 -5.001 12.671 -6.655 1.00 0.00 N ATOM 761 CA VAL B 16 -6.194 12.317 -5.904 1.00 0.00 C ATOM 762 C VAL B 16 -7.083 11.414 -6.762 1.00 0.00 C ATOM 763 O VAL B 16 -7.591 10.402 -6.284 1.00 0.00 O ATOM 764 CB VAL B 16 -6.909 13.583 -5.429 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.290 13.252 -4.860 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.061 14.341 -4.406 1.00 0.00 C ATOM 0 H VAL B 16 -4.821 13.673 -6.722 1.00 0.00 H new ATOM 0 HA VAL B 16 -5.928 11.755 -5.009 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.050 14.232 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.777 14.170 -4.530 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -8.897 12.777 -5.631 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.182 12.574 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.593 15.237 -4.085 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -5.874 13.701 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.112 14.626 -4.860 1.00 0.00 H new ATOM 776 N MET B 17 -7.242 11.814 -8.015 1.00 0.00 N ATOM 777 CA MET B 17 -8.071 11.061 -8.941 1.00 0.00 C ATOM 778 C MET B 17 -7.651 9.591 -8.983 1.00 0.00 C ATOM 779 O MET B 17 -8.496 8.698 -8.940 1.00 0.00 O ATOM 780 CB MET B 17 -7.951 11.666 -10.342 1.00 0.00 C ATOM 781 CG MET B 17 -9.045 12.708 -10.584 1.00 0.00 C ATOM 782 SD MET B 17 -8.441 14.335 -10.168 1.00 0.00 S ATOM 783 CE MET B 17 -9.979 15.242 -10.153 1.00 0.00 C ATOM 0 H MET B 17 -6.811 12.650 -8.411 1.00 0.00 H new ATOM 0 HA MET B 17 -9.105 11.114 -8.599 1.00 0.00 H new ATOM 0 HB2 MET B 17 -6.971 12.128 -10.460 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.023 10.877 -11.090 1.00 0.00 H new ATOM 0 HG2 MET B 17 -9.358 12.683 -11.628 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.923 12.472 -9.982 1.00 0.00 H new ATOM 0 HE1 MET B 17 -9.783 16.286 -9.908 1.00 0.00 H new ATOM 0 HE2 MET B 17 -10.447 15.181 -11.136 1.00 0.00 H new ATOM 0 HE3 MET B 17 -10.647 14.813 -9.406 1.00 0.00 H new ATOM 793 N ASP B 18 -6.345 9.384 -9.065 1.00 0.00 N ATOM 794 CA ASP B 18 -5.805 8.038 -9.164 1.00 0.00 C ATOM 795 C ASP B 18 -6.101 7.279 -7.869 1.00 0.00 C ATOM 796 O ASP B 18 -6.165 6.050 -7.867 1.00 0.00 O ATOM 797 CB ASP B 18 -4.288 8.067 -9.359 1.00 0.00 C ATOM 798 CG ASP B 18 -3.700 6.828 -10.038 1.00 0.00 C ATOM 799 OD1 ASP B 18 -3.523 5.819 -9.323 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.441 6.919 -11.258 1.00 0.00 O ATOM 0 H ASP B 18 -5.645 10.126 -9.065 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.269 7.550 -10.021 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.030 8.945 -9.951 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -3.814 8.189 -8.385 1.00 0.00 H new ATOM 805 N VAL B 19 -6.274 8.041 -6.800 1.00 0.00 N ATOM 806 CA VAL B 19 -6.530 7.453 -5.496 1.00 0.00 C ATOM 807 C VAL B 19 -8.024 7.154 -5.361 1.00 0.00 C ATOM 808 O VAL B 19 -8.413 6.221 -4.659 1.00 0.00 O ATOM 809 CB VAL B 19 -6.003 8.375 -4.394 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.406 7.862 -3.010 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.486 8.541 -4.496 1.00 0.00 C ATOM 0 H VAL B 19 -6.242 9.060 -6.810 1.00 0.00 H new ATOM 0 HA VAL B 19 -5.998 6.507 -5.392 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.457 9.356 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.019 8.535 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.493 7.820 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -5.994 6.865 -2.857 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.138 9.201 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.006 7.568 -4.396 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.232 8.973 -5.464 1.00 0.00 H new ATOM 821 N VAL B 20 -8.821 7.962 -6.044 1.00 0.00 N ATOM 822 CA VAL B 20 -10.263 7.787 -6.019 1.00 0.00 C ATOM 823 C VAL B 20 -10.625 6.460 -6.689 1.00 0.00 C ATOM 824 O VAL B 20 -11.417 5.686 -6.155 1.00 0.00 O ATOM 825 CB VAL B 20 -10.948 8.991 -6.669 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.393 8.663 -7.047 1.00 0.00 C ATOM 827 CG2 VAL B 20 -10.885 10.217 -5.755 1.00 0.00 C ATOM 0 H VAL B 20 -8.496 8.740 -6.618 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.623 7.740 -4.991 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.408 9.228 -7.586 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.856 9.536 -7.507 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.405 7.832 -7.752 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -12.950 8.387 -6.151 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.379 11.059 -6.241 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.388 9.995 -4.814 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.843 10.472 -5.559 1.00 0.00 H new ATOM 837 N GLU B 21 -10.025 6.238 -7.850 1.00 0.00 N ATOM 838 CA GLU B 21 -10.270 5.016 -8.597 1.00 0.00 C ATOM 839 C GLU B 21 -9.757 3.805 -7.816 1.00 0.00 C ATOM 840 O GLU B 21 -10.434 2.781 -7.736 1.00 0.00 O ATOM 841 CB GLU B 21 -9.631 5.085 -9.985 1.00 0.00 C ATOM 842 CG GLU B 21 -10.424 6.011 -10.909 1.00 0.00 C ATOM 843 CD GLU B 21 -9.557 6.499 -12.072 1.00 0.00 C ATOM 844 OE1 GLU B 21 -9.177 5.639 -12.896 1.00 0.00 O ATOM 845 OE2 GLU B 21 -9.295 7.720 -12.111 1.00 0.00 O ATOM 0 H GLU B 21 -9.370 6.884 -8.291 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.346 4.906 -8.734 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.605 5.443 -9.899 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.585 4.086 -10.418 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.296 5.484 -11.297 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.794 6.866 -10.343 1.00 0.00 H new ATOM 852 N LEU B 22 -8.565 3.961 -7.260 1.00 0.00 N ATOM 853 CA LEU B 22 -7.962 2.900 -6.471 1.00 0.00 C ATOM 854 C LEU B 22 -8.907 2.520 -5.329 1.00 0.00 C ATOM 855 O LEU B 22 -9.365 1.380 -5.251 1.00 0.00 O ATOM 856 CB LEU B 22 -6.564 3.310 -6.001 1.00 0.00 C ATOM 857 CG LEU B 22 -5.738 2.215 -5.323 1.00 0.00 C ATOM 858 CD1 LEU B 22 -5.120 1.273 -6.359 1.00 0.00 C ATOM 859 CD2 LEU B 22 -4.681 2.821 -4.397 1.00 0.00 C ATOM 0 H LEU B 22 -8.000 4.806 -7.340 1.00 0.00 H new ATOM 0 HA LEU B 22 -7.820 2.007 -7.079 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.006 3.678 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.666 4.144 -5.306 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.406 1.617 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.538 0.504 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.912 0.803 -6.941 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.469 1.840 -7.024 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.107 2.022 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -4.011 3.456 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -5.171 3.417 -3.627 1.00 0.00 H new ATOM 871 N ILE B 23 -9.172 3.495 -4.472 1.00 0.00 N ATOM 872 CA ILE B 23 -9.995 3.257 -3.299 1.00 0.00 C ATOM 873 C ILE B 23 -11.350 2.697 -3.738 1.00 0.00 C ATOM 874 O ILE B 23 -11.936 1.867 -3.045 1.00 0.00 O ATOM 875 CB ILE B 23 -10.100 4.527 -2.452 1.00 0.00 C ATOM 876 CG1 ILE B 23 -8.756 4.863 -1.801 1.00 0.00 C ATOM 877 CG2 ILE B 23 -11.223 4.406 -1.419 1.00 0.00 C ATOM 878 CD1 ILE B 23 -8.534 4.027 -0.539 1.00 0.00 C ATOM 0 H ILE B 23 -8.831 4.452 -4.567 1.00 0.00 H new ATOM 0 HA ILE B 23 -9.533 2.509 -2.655 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.356 5.357 -3.110 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -7.949 4.679 -2.510 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -8.725 5.923 -1.550 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -11.276 5.322 -0.830 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -12.172 4.248 -1.931 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -11.021 3.562 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -7.572 4.285 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -9.330 4.231 0.177 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -8.542 2.968 -0.798 1.00 0.00 H new ATOM 890 N SER B 24 -11.808 3.175 -4.885 1.00 0.00 N ATOM 891 CA SER B 24 -13.093 2.749 -5.414 1.00 0.00 C ATOM 892 C SER B 24 -13.052 1.258 -5.752 1.00 0.00 C ATOM 893 O SER B 24 -13.999 0.527 -5.468 1.00 0.00 O ATOM 894 CB SER B 24 -13.478 3.564 -6.650 1.00 0.00 C ATOM 895 OG SER B 24 -14.053 4.821 -6.304 1.00 0.00 O ATOM 0 H SER B 24 -11.312 3.853 -5.463 1.00 0.00 H new ATOM 0 HA SER B 24 -13.851 2.920 -4.650 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.594 3.727 -7.266 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.186 2.995 -7.253 1.00 0.00 H new ATOM 0 HG SER B 24 -13.340 5.476 -6.152 1.00 0.00 H new ATOM 901 N ALA B 25 -11.944 0.851 -6.355 1.00 0.00 N ATOM 902 CA ALA B 25 -11.768 -0.539 -6.739 1.00 0.00 C ATOM 903 C ALA B 25 -11.914 -1.428 -5.502 1.00 0.00 C ATOM 904 O ALA B 25 -12.803 -2.276 -5.444 1.00 0.00 O ATOM 905 CB ALA B 25 -10.411 -0.712 -7.424 1.00 0.00 C ATOM 0 H ALA B 25 -11.159 1.460 -6.587 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.534 -0.839 -7.453 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.279 -1.755 -7.712 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.369 -0.082 -8.313 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.617 -0.422 -6.736 1.00 0.00 H new ATOM 911 N MET B 26 -11.027 -1.203 -4.543 1.00 0.00 N ATOM 912 CA MET B 26 -11.033 -1.987 -3.320 1.00 0.00 C ATOM 913 C MET B 26 -12.427 -2.012 -2.691 1.00 0.00 C ATOM 914 O MET B 26 -12.898 -3.062 -2.256 1.00 0.00 O ATOM 915 CB MET B 26 -10.035 -1.390 -2.326 1.00 0.00 C ATOM 916 CG MET B 26 -8.594 -1.640 -2.779 1.00 0.00 C ATOM 917 SD MET B 26 -7.453 -0.988 -1.571 1.00 0.00 S ATOM 918 CE MET B 26 -6.017 -0.743 -2.602 1.00 0.00 C ATOM 0 H MET B 26 -10.300 -0.489 -4.589 1.00 0.00 H new ATOM 0 HA MET B 26 -10.748 -3.010 -3.565 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.209 -0.318 -2.230 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.191 -1.828 -1.340 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.426 -2.709 -2.911 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.421 -1.168 -3.746 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.233 -0.255 -2.023 1.00 0.00 H new ATOM 0 HE2 MET B 26 -5.657 -1.708 -2.960 1.00 0.00 H new ATOM 0 HE3 MET B 26 -6.283 -0.116 -3.453 1.00 0.00 H new ATOM 928 N GLU B 27 -13.049 -0.842 -2.662 1.00 0.00 N ATOM 929 CA GLU B 27 -14.374 -0.713 -2.078 1.00 0.00 C ATOM 930 C GLU B 27 -15.306 -1.793 -2.633 1.00 0.00 C ATOM 931 O GLU B 27 -16.028 -2.441 -1.878 1.00 0.00 O ATOM 932 CB GLU B 27 -14.947 0.684 -2.322 1.00 0.00 C ATOM 933 CG GLU B 27 -14.676 1.604 -1.130 1.00 0.00 C ATOM 934 CD GLU B 27 -15.565 2.848 -1.184 1.00 0.00 C ATOM 935 OE1 GLU B 27 -15.144 3.818 -1.850 1.00 0.00 O ATOM 936 OE2 GLU B 27 -16.646 2.800 -0.558 1.00 0.00 O ATOM 0 H GLU B 27 -12.660 0.025 -3.033 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.290 -0.852 -1.000 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.505 1.110 -3.223 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.021 0.615 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -14.857 1.064 -0.201 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.627 1.902 -1.127 1.00 0.00 H new ATOM 943 N GLU B 28 -15.259 -1.952 -3.947 1.00 0.00 N ATOM 944 CA GLU B 28 -16.115 -2.918 -4.615 1.00 0.00 C ATOM 945 C GLU B 28 -15.560 -4.332 -4.435 1.00 0.00 C ATOM 946 O GLU B 28 -16.283 -5.239 -4.025 1.00 0.00 O ATOM 947 CB GLU B 28 -16.275 -2.576 -6.097 1.00 0.00 C ATOM 948 CG GLU B 28 -17.463 -3.322 -6.707 1.00 0.00 C ATOM 949 CD GLU B 28 -17.012 -4.222 -7.860 1.00 0.00 C ATOM 950 OE1 GLU B 28 -16.156 -5.094 -7.598 1.00 0.00 O ATOM 951 OE2 GLU B 28 -17.534 -4.017 -8.977 1.00 0.00 O ATOM 0 H GLU B 28 -14.642 -1.428 -4.567 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.104 -2.876 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.418 -1.502 -6.213 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.363 -2.836 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -17.951 -3.924 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.201 -2.605 -7.068 1.00 0.00 H new ATOM 958 N LYS B 29 -14.281 -4.476 -4.751 1.00 0.00 N ATOM 959 CA LYS B 29 -13.633 -5.774 -4.672 1.00 0.00 C ATOM 960 C LYS B 29 -13.927 -6.404 -3.309 1.00 0.00 C ATOM 961 O LYS B 29 -14.637 -7.405 -3.225 1.00 0.00 O ATOM 962 CB LYS B 29 -12.140 -5.647 -4.981 1.00 0.00 C ATOM 963 CG LYS B 29 -11.426 -6.988 -4.801 1.00 0.00 C ATOM 964 CD LYS B 29 -11.580 -7.863 -6.047 1.00 0.00 C ATOM 965 CE LYS B 29 -10.537 -7.498 -7.105 1.00 0.00 C ATOM 966 NZ LYS B 29 -10.697 -8.350 -8.305 1.00 0.00 N ATOM 0 H LYS B 29 -13.677 -3.715 -5.062 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.036 -6.447 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.006 -5.294 -6.003 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.691 -4.901 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.368 -6.817 -4.601 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.834 -7.508 -3.934 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -11.474 -8.913 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -12.581 -7.740 -6.460 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.641 -6.448 -7.380 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -9.535 -7.622 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -9.982 -8.090 -9.014 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.575 -9.348 -8.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.647 -8.211 -8.705 1.00 0.00 H new ATOM 980 N PHE B 30 -13.367 -5.792 -2.277 1.00 0.00 N ATOM 981 CA PHE B 30 -13.526 -6.304 -0.926 1.00 0.00 C ATOM 982 C PHE B 30 -14.927 -6.006 -0.389 1.00 0.00 C ATOM 983 O PHE B 30 -15.278 -6.432 0.711 1.00 0.00 O ATOM 984 CB PHE B 30 -12.495 -5.589 -0.052 1.00 0.00 C ATOM 985 CG PHE B 30 -11.043 -5.927 -0.400 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.474 -7.063 0.085 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.322 -5.090 -1.193 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.127 -7.376 -0.238 1.00 0.00 C ATOM 989 CE2 PHE B 30 -8.976 -5.403 -1.516 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.406 -6.539 -1.032 1.00 0.00 C ATOM 0 H PHE B 30 -12.802 -4.946 -2.348 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.385 -7.385 -0.919 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -12.639 -4.513 -0.145 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -12.677 -5.846 0.991 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -11.046 -7.727 0.716 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.774 -4.187 -1.577 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.675 -8.278 0.147 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.404 -4.739 -2.147 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.382 -6.777 -1.278 1.00 0.00 H new ATOM 1000 N GLY B 31 -15.691 -5.277 -1.189 1.00 0.00 N ATOM 1001 CA GLY B 31 -17.048 -4.923 -0.811 1.00 0.00 C ATOM 1002 C GLY B 31 -17.100 -4.411 0.630 1.00 0.00 C ATOM 1003 O GLY B 31 -17.874 -4.912 1.443 1.00 0.00 O ATOM 0 H GLY B 31 -15.395 -4.922 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -17.430 -4.157 -1.487 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -17.697 -5.793 -0.915 1.00 0.00 H new ATOM 1007 N VAL B 32 -16.266 -3.418 0.901 1.00 0.00 N ATOM 1008 CA VAL B 32 -16.222 -2.817 2.223 1.00 0.00 C ATOM 1009 C VAL B 32 -16.837 -1.417 2.163 1.00 0.00 C ATOM 1010 O VAL B 32 -16.195 -0.437 2.540 1.00 0.00 O ATOM 1011 CB VAL B 32 -14.786 -2.818 2.751 1.00 0.00 C ATOM 1012 CG1 VAL B 32 -13.928 -1.792 2.007 1.00 0.00 C ATOM 1013 CG2 VAL B 32 -14.756 -2.565 4.260 1.00 0.00 C ATOM 0 H VAL B 32 -15.615 -3.014 0.227 1.00 0.00 H new ATOM 0 HA VAL B 32 -16.813 -3.401 2.928 1.00 0.00 H new ATOM 0 HB VAL B 32 -14.363 -3.806 2.568 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -12.912 -1.813 2.401 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -13.910 -2.035 0.945 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -14.350 -0.797 2.144 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -13.724 -2.571 4.609 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -15.207 -1.596 4.476 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -15.317 -3.348 4.771 1.00 0.00 H new ATOM 1023 N SER B 33 -18.072 -1.368 1.687 1.00 0.00 N ATOM 1024 CA SER B 33 -18.775 -0.103 1.560 1.00 0.00 C ATOM 1025 C SER B 33 -20.191 -0.232 2.127 1.00 0.00 C ATOM 1026 O SER B 33 -21.147 -0.425 1.378 1.00 0.00 O ATOM 1027 CB SER B 33 -18.827 0.354 0.101 1.00 0.00 C ATOM 1028 OG SER B 33 -19.124 1.743 -0.013 1.00 0.00 O ATOM 0 H SER B 33 -18.604 -2.184 1.385 1.00 0.00 H new ATOM 0 HA SER B 33 -18.230 0.650 2.129 1.00 0.00 H new ATOM 0 HB2 SER B 33 -17.870 0.147 -0.378 1.00 0.00 H new ATOM 0 HB3 SER B 33 -19.582 -0.223 -0.433 1.00 0.00 H new ATOM 0 HG SER B 33 -18.318 2.228 -0.288 1.00 0.00 H new ATOM 1034 N ALA B 34 -20.279 -0.119 3.444 1.00 0.00 N ATOM 1035 CA ALA B 34 -21.560 -0.228 4.120 1.00 0.00 C ATOM 1036 C ALA B 34 -21.380 0.103 5.603 1.00 0.00 C ATOM 1037 O ALA B 34 -21.426 -0.786 6.451 1.00 0.00 O ATOM 1038 CB ALA B 34 -22.136 -1.629 3.902 1.00 0.00 C ATOM 0 H ALA B 34 -19.484 0.047 4.061 1.00 0.00 H new ATOM 0 HA ALA B 34 -22.273 0.486 3.707 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -23.097 -1.710 4.409 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -22.273 -1.804 2.835 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -21.448 -2.372 4.306 1.00 0.00 H new ATOM 1044 N ALA B 35 -21.177 1.385 5.870 1.00 0.00 N ATOM 1045 CA ALA B 35 -20.979 1.844 7.234 1.00 0.00 C ATOM 1046 C ALA B 35 -19.959 0.939 7.929 1.00 0.00 C ATOM 1047 O ALA B 35 -20.317 0.147 8.798 1.00 0.00 O ATOM 1048 CB ALA B 35 -22.324 1.872 7.963 1.00 0.00 C ATOM 0 H ALA B 35 -21.145 2.121 5.164 1.00 0.00 H new ATOM 0 HA ALA B 35 -20.581 2.859 7.244 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -22.176 2.216 8.987 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -23.004 2.550 7.447 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -22.752 0.870 7.976 1.00 0.00 H new ATOM 1054 N ALA B 36 -18.708 1.089 7.519 1.00 0.00 N ATOM 1055 CA ALA B 36 -17.631 0.305 8.100 1.00 0.00 C ATOM 1056 C ALA B 36 -17.825 0.227 9.616 1.00 0.00 C ATOM 1057 O ALA B 36 -18.236 1.201 10.244 1.00 0.00 O ATOM 1058 CB ALA B 36 -16.285 0.922 7.715 1.00 0.00 C ATOM 0 H ALA B 36 -18.416 1.742 6.792 1.00 0.00 H new ATOM 0 HA ALA B 36 -17.645 -0.714 7.713 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -15.477 0.334 8.151 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -16.185 0.928 6.630 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -16.233 1.944 8.090 1.00 0.00 H new ATOM 1064 N ALA B 37 -17.518 -0.942 10.160 1.00 0.00 N ATOM 1065 CA ALA B 37 -17.654 -1.161 11.590 1.00 0.00 C ATOM 1066 C ALA B 37 -16.594 -0.342 12.329 1.00 0.00 C ATOM 1067 O ALA B 37 -16.731 -0.078 13.523 1.00 0.00 O ATOM 1068 CB ALA B 37 -17.549 -2.658 11.889 1.00 0.00 C ATOM 0 H ALA B 37 -17.176 -1.747 9.636 1.00 0.00 H new ATOM 0 HA ALA B 37 -18.631 -0.827 11.939 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -17.651 -2.823 12.962 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -18.341 -3.191 11.363 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -16.580 -3.029 11.556 1.00 0.00 H new TER 1074 ALA B 37