USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 665 hydrogens (39 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 65 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 GLN : amide:sc= -2.86! C(o=-2.9!,f=-14!) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -119:sc= -0.633 (180deg=-1.38) USER MOD Set 2.2: A 47 ASN :FLIP amide:sc= -0.626 F(o=-14!,f=-1.3) USER MOD Set 3.1: A 26 THR OG1 : rot 180:sc= 0.94 USER MOD Set 3.2: A 29 SER OG : rot 101:sc= 1.12 USER MOD Single : A 1 ALA N :NH3+ -171:sc= 0.134 (180deg=0.109) USER MOD Single : A 2 LYS NZ :NH3+ 178:sc= -2.85! (180deg=-3.18) USER MOD Single : A 3 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.16) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.594 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 169:sc= -0.578 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 34:sc= 0.951 USER MOD Single : A 46 MET CE :methyl -149:sc= 0 (180deg=-0.0333) USER MOD Single : A 55 ASN : amide:sc= -0.94 X(o=-0.94,f=-0.57) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.47) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.421 USER MOD Single : A 68 GLN :FLIP amide:sc= -2.17 F(o=-7.9!,f=-2.2) USER MOD Single : A 80 LYS NZ :NH3+ 159:sc= -0.0561 (180deg=-0.534) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot 180:sc= -0.0188 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.143 -7.859 1.610 1.00 1.00 N ATOM 2 CA ALA A 1 -9.423 -7.763 0.309 1.00 1.00 C ATOM 3 C ALA A 1 -8.967 -9.151 -0.120 1.00 1.00 C ATOM 4 O ALA A 1 -8.452 -9.923 0.688 1.00 1.00 O ATOM 5 CB ALA A 1 -8.215 -6.835 0.464 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.586 -6.944 1.830 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.877 -8.593 1.547 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.469 -8.107 2.362 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.088 -7.356 -0.453 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.687 -6.763 -0.487 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.554 -5.844 0.766 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.543 -7.236 1.223 1.00 1.00 H new ATOM 13 N LYS A 2 -9.160 -9.466 -1.396 1.00 1.00 N ATOM 14 CA LYS A 2 -8.763 -10.768 -1.920 1.00 1.00 C ATOM 15 C LYS A 2 -7.243 -10.873 -1.961 1.00 1.00 C ATOM 16 O LYS A 2 -6.534 -9.868 -1.920 1.00 1.00 O ATOM 17 CB LYS A 2 -9.330 -10.959 -3.341 1.00 1.00 C ATOM 18 CG LYS A 2 -9.419 -9.586 -4.043 1.00 1.00 C ATOM 19 CD LYS A 2 -10.782 -8.923 -3.734 1.00 1.00 C ATOM 20 CE LYS A 2 -11.795 -9.311 -4.816 1.00 1.00 C ATOM 21 NZ LYS A 2 -11.566 -10.729 -5.225 1.00 1.00 N ATOM 0 H LYS A 2 -9.586 -8.843 -2.082 1.00 1.00 H new ATOM 0 HA LYS A 2 -9.160 -11.545 -1.266 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.691 -11.632 -3.913 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.316 -11.420 -3.293 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.607 -8.942 -3.705 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.301 -9.710 -5.119 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -11.140 -9.241 -2.755 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.671 -7.839 -3.696 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -12.811 -9.189 -4.439 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -11.694 -8.652 -5.678 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -12.274 -11.004 -5.935 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -10.613 -10.824 -5.632 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -11.650 -11.348 -4.394 1.00 1.00 H new ATOM 35 N LYS A 3 -6.756 -12.096 -2.051 1.00 1.00 N ATOM 36 CA LYS A 3 -5.325 -12.345 -2.106 1.00 1.00 C ATOM 37 C LYS A 3 -4.721 -11.736 -3.369 1.00 1.00 C ATOM 38 O LYS A 3 -3.501 -11.603 -3.486 1.00 1.00 O ATOM 39 CB LYS A 3 -5.053 -13.860 -2.071 1.00 1.00 C ATOM 40 CG LYS A 3 -6.204 -14.624 -2.733 1.00 1.00 C ATOM 41 CD LYS A 3 -6.411 -14.119 -4.167 1.00 1.00 C ATOM 42 CE LYS A 3 -7.132 -15.177 -4.989 1.00 1.00 C ATOM 43 NZ LYS A 3 -8.466 -15.443 -4.384 1.00 1.00 N ATOM 0 H LYS A 3 -7.332 -12.937 -2.088 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.859 -11.877 -1.239 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -4.118 -14.080 -2.586 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -4.934 -14.191 -1.039 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -5.985 -15.692 -2.742 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -7.119 -14.491 -2.156 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.991 -13.196 -4.157 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -5.449 -13.886 -4.622 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -7.248 -14.838 -6.019 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -6.544 -16.094 -5.019 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -9.046 -15.991 -5.051 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -8.346 -15.984 -3.504 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -8.938 -14.540 -4.174 1.00 1.00 H new ATOM 57 N GLU A 4 -5.578 -11.386 -4.314 1.00 1.00 N ATOM 58 CA GLU A 4 -5.121 -10.810 -5.569 1.00 1.00 C ATOM 59 C GLU A 4 -4.732 -9.350 -5.377 1.00 1.00 C ATOM 60 O GLU A 4 -3.677 -8.918 -5.833 1.00 1.00 O ATOM 61 CB GLU A 4 -6.221 -10.911 -6.628 1.00 1.00 C ATOM 62 CG GLU A 4 -5.685 -10.415 -7.976 1.00 1.00 C ATOM 63 CD GLU A 4 -6.762 -10.547 -9.046 1.00 1.00 C ATOM 64 OE1 GLU A 4 -7.907 -10.757 -8.683 1.00 1.00 O ATOM 65 OE2 GLU A 4 -6.427 -10.429 -10.212 1.00 1.00 O ATOM 0 H GLU A 4 -6.590 -11.490 -4.237 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.246 -11.368 -5.903 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -6.560 -11.943 -6.718 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -7.084 -10.317 -6.328 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -5.371 -9.375 -7.891 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -4.805 -10.992 -8.261 1.00 1.00 H new ATOM 72 N THR A 5 -5.593 -8.601 -4.696 1.00 1.00 N ATOM 73 CA THR A 5 -5.339 -7.187 -4.446 1.00 1.00 C ATOM 74 C THR A 5 -4.060 -7.004 -3.638 1.00 1.00 C ATOM 75 O THR A 5 -3.263 -6.108 -3.917 1.00 1.00 O ATOM 76 CB THR A 5 -6.518 -6.564 -3.692 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.730 -6.902 -4.350 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.362 -5.044 -3.659 1.00 1.00 C ATOM 0 H THR A 5 -6.470 -8.948 -4.308 1.00 1.00 H new ATOM 0 HA THR A 5 -5.221 -6.687 -5.407 1.00 1.00 H new ATOM 0 HB THR A 5 -6.538 -6.946 -2.671 1.00 1.00 H new ATOM 0 HG1 THR A 5 -8.486 -6.506 -3.868 1.00 1.00 H new ATOM 0 HG21 THR A 5 -7.202 -4.604 -3.122 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.432 -4.785 -3.153 1.00 1.00 H new ATOM 0 HG23 THR A 5 -6.341 -4.658 -4.678 1.00 1.00 H new ATOM 86 N ILE A 6 -3.875 -7.851 -2.637 1.00 1.00 N ATOM 87 CA ILE A 6 -2.691 -7.773 -1.791 1.00 1.00 C ATOM 88 C ILE A 6 -1.426 -7.932 -2.627 1.00 1.00 C ATOM 89 O ILE A 6 -0.417 -7.276 -2.368 1.00 1.00 O ATOM 90 CB ILE A 6 -2.736 -8.868 -0.720 1.00 1.00 C ATOM 91 CG1 ILE A 6 -4.053 -8.766 0.053 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.562 -8.694 0.249 1.00 1.00 C ATOM 93 CD1 ILE A 6 -4.163 -9.937 1.033 1.00 1.00 C ATOM 0 H ILE A 6 -4.525 -8.597 -2.390 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.677 -6.795 -1.309 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.665 -9.845 -1.199 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -4.097 -7.820 0.593 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.895 -8.777 -0.639 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.598 -9.475 1.009 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.623 -8.766 -0.300 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.628 -7.718 0.729 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -5.101 -9.864 1.583 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.138 -10.877 0.481 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.328 -9.905 1.733 1.00 1.00 H new ATOM 105 N ASP A 7 -1.482 -8.810 -3.621 1.00 1.00 N ATOM 106 CA ASP A 7 -0.332 -9.050 -4.479 1.00 1.00 C ATOM 107 C ASP A 7 0.027 -7.789 -5.254 1.00 1.00 C ATOM 108 O ASP A 7 1.202 -7.499 -5.471 1.00 1.00 O ATOM 109 CB ASP A 7 -0.639 -10.186 -5.457 1.00 1.00 C ATOM 110 CG ASP A 7 0.609 -10.536 -6.260 1.00 1.00 C ATOM 111 OD1 ASP A 7 1.593 -9.826 -6.128 1.00 1.00 O ATOM 112 OD2 ASP A 7 0.563 -11.507 -6.996 1.00 1.00 O ATOM 0 H ASP A 7 -2.307 -9.364 -3.851 1.00 1.00 H new ATOM 0 HA ASP A 7 0.515 -9.331 -3.853 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -0.987 -11.063 -4.911 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -1.443 -9.890 -6.130 1.00 1.00 H new ATOM 117 N LYS A 8 -0.990 -7.053 -5.684 1.00 1.00 N ATOM 118 CA LYS A 8 -0.757 -5.836 -6.447 1.00 1.00 C ATOM 119 C LYS A 8 -0.042 -4.787 -5.607 1.00 1.00 C ATOM 120 O LYS A 8 0.961 -4.215 -6.033 1.00 1.00 O ATOM 121 CB LYS A 8 -2.090 -5.268 -6.921 1.00 1.00 C ATOM 122 CG LYS A 8 -2.875 -6.351 -7.688 1.00 1.00 C ATOM 123 CD LYS A 8 -3.835 -5.696 -8.699 1.00 1.00 C ATOM 124 CE LYS A 8 -3.082 -5.372 -9.994 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.037 -4.853 -11.004 1.00 1.00 N ATOM 0 H LYS A 8 -1.972 -7.274 -5.520 1.00 1.00 H new ATOM 0 HA LYS A 8 -0.127 -6.087 -7.300 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.672 -4.920 -6.067 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.920 -4.405 -7.564 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -2.182 -7.012 -8.209 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.438 -6.967 -6.987 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -4.668 -6.366 -8.910 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.258 -4.785 -8.276 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -2.304 -4.634 -9.800 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -2.586 -6.266 -10.372 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -3.527 -4.633 -11.883 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.764 -5.572 -11.196 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.491 -3.990 -10.642 1.00 1.00 H new ATOM 139 N VAL A 9 -0.566 -4.539 -4.414 1.00 1.00 N ATOM 140 CA VAL A 9 0.029 -3.552 -3.524 1.00 1.00 C ATOM 141 C VAL A 9 1.414 -4.006 -3.073 1.00 1.00 C ATOM 142 O VAL A 9 2.360 -3.226 -3.068 1.00 1.00 O ATOM 143 CB VAL A 9 -0.865 -3.344 -2.299 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.237 -2.297 -1.377 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.248 -2.864 -2.746 1.00 1.00 C ATOM 0 H VAL A 9 -1.395 -5.003 -4.043 1.00 1.00 H new ATOM 0 HA VAL A 9 0.124 -2.612 -4.067 1.00 1.00 H new ATOM 0 HB VAL A 9 -0.965 -4.288 -1.763 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -0.875 -2.150 -0.505 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.746 -2.640 -1.054 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.134 -1.354 -1.914 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -2.882 -2.717 -1.872 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.149 -1.922 -3.285 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.699 -3.611 -3.400 1.00 1.00 H new ATOM 155 N SER A 10 1.522 -5.272 -2.693 1.00 1.00 N ATOM 156 CA SER A 10 2.793 -5.817 -2.235 1.00 1.00 C ATOM 157 C SER A 10 3.844 -5.733 -3.337 1.00 1.00 C ATOM 158 O SER A 10 5.013 -5.449 -3.073 1.00 1.00 O ATOM 159 CB SER A 10 2.614 -7.274 -1.812 1.00 1.00 C ATOM 160 OG SER A 10 2.219 -8.044 -2.939 1.00 1.00 O ATOM 0 H SER A 10 0.749 -5.938 -2.693 1.00 1.00 H new ATOM 0 HA SER A 10 3.130 -5.228 -1.382 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.545 -7.662 -1.400 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.863 -7.347 -1.026 1.00 1.00 H new ATOM 0 HG SER A 10 2.274 -8.997 -2.719 1.00 1.00 H new ATOM 166 N ASP A 11 3.421 -5.987 -4.571 1.00 1.00 N ATOM 167 CA ASP A 11 4.335 -5.939 -5.704 1.00 1.00 C ATOM 168 C ASP A 11 4.912 -4.538 -5.870 1.00 1.00 C ATOM 169 O ASP A 11 6.103 -4.375 -6.127 1.00 1.00 O ATOM 170 CB ASP A 11 3.603 -6.347 -6.980 1.00 1.00 C ATOM 171 CG ASP A 11 3.320 -7.848 -6.967 1.00 1.00 C ATOM 172 OD1 ASP A 11 3.924 -8.539 -6.163 1.00 1.00 O ATOM 173 OD2 ASP A 11 2.503 -8.283 -7.762 1.00 1.00 O ATOM 0 H ASP A 11 2.459 -6.226 -4.810 1.00 1.00 H new ATOM 0 HA ASP A 11 5.153 -6.634 -5.517 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.668 -5.794 -7.064 1.00 1.00 H new ATOM 0 HB3 ASP A 11 4.205 -6.090 -7.852 1.00 1.00 H new ATOM 178 N ILE A 12 4.065 -3.533 -5.730 1.00 1.00 N ATOM 179 CA ILE A 12 4.506 -2.150 -5.861 1.00 1.00 C ATOM 180 C ILE A 12 5.353 -1.739 -4.663 1.00 1.00 C ATOM 181 O ILE A 12 6.363 -1.050 -4.812 1.00 1.00 O ATOM 182 CB ILE A 12 3.293 -1.229 -5.975 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.423 -1.670 -7.165 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.767 0.213 -6.194 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.016 -1.102 -7.003 1.00 1.00 C ATOM 0 H ILE A 12 3.072 -3.645 -5.526 1.00 1.00 H new ATOM 0 HA ILE A 12 5.114 -2.064 -6.762 1.00 1.00 H new ATOM 0 HB ILE A 12 2.707 -1.284 -5.058 1.00 1.00 H new ATOM 0 HG12 ILE A 12 2.862 -1.321 -8.100 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.384 -2.758 -7.217 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.902 0.872 -6.276 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.383 0.526 -5.351 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.353 0.268 -7.111 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.399 -1.414 -7.845 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.579 -1.472 -6.076 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.064 -0.014 -6.972 1.00 1.00 H new ATOM 197 N VAL A 13 4.917 -2.137 -3.474 1.00 1.00 N ATOM 198 CA VAL A 13 5.631 -1.775 -2.254 1.00 1.00 C ATOM 199 C VAL A 13 7.019 -2.405 -2.220 1.00 1.00 C ATOM 200 O VAL A 13 8.015 -1.720 -2.008 1.00 1.00 O ATOM 201 CB VAL A 13 4.836 -2.241 -1.031 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.653 -1.994 0.244 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.513 -1.469 -0.952 1.00 1.00 C ATOM 0 H VAL A 13 4.082 -2.704 -3.328 1.00 1.00 H new ATOM 0 HA VAL A 13 5.741 -0.691 -2.237 1.00 1.00 H new ATOM 0 HB VAL A 13 4.628 -3.307 -1.123 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.083 -2.327 1.111 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.589 -2.550 0.190 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.868 -0.930 0.338 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.949 -1.802 -0.081 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.719 -0.402 -0.865 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.930 -1.653 -1.854 1.00 1.00 H new ATOM 213 N LYS A 14 7.077 -3.711 -2.428 1.00 1.00 N ATOM 214 CA LYS A 14 8.352 -4.415 -2.406 1.00 1.00 C ATOM 215 C LYS A 14 9.263 -3.914 -3.521 1.00 1.00 C ATOM 216 O LYS A 14 10.487 -3.879 -3.372 1.00 1.00 O ATOM 217 CB LYS A 14 8.110 -5.919 -2.560 1.00 1.00 C ATOM 218 CG LYS A 14 7.785 -6.249 -4.019 1.00 1.00 C ATOM 219 CD LYS A 14 7.172 -7.644 -4.116 1.00 1.00 C ATOM 220 CE LYS A 14 8.111 -8.657 -3.464 1.00 1.00 C ATOM 221 NZ LYS A 14 7.698 -10.033 -3.851 1.00 1.00 N ATOM 0 H LYS A 14 6.266 -4.301 -2.612 1.00 1.00 H new ATOM 0 HA LYS A 14 8.843 -4.223 -1.452 1.00 1.00 H new ATOM 0 HB2 LYS A 14 8.993 -6.473 -2.241 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.288 -6.232 -1.916 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.092 -5.510 -4.422 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.691 -6.199 -4.622 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.201 -7.662 -3.622 1.00 1.00 H new ATOM 0 HD3 LYS A 14 7.003 -7.907 -5.160 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.138 -8.472 -3.778 1.00 1.00 H new ATOM 0 HE3 LYS A 14 8.085 -8.549 -2.380 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.336 -10.724 -3.408 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.724 -10.206 -3.531 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 7.745 -10.132 -4.885 1.00 1.00 H new ATOM 235 N GLU A 15 8.656 -3.542 -4.641 1.00 1.00 N ATOM 236 CA GLU A 15 9.417 -3.053 -5.781 1.00 1.00 C ATOM 237 C GLU A 15 10.002 -1.676 -5.490 1.00 1.00 C ATOM 238 O GLU A 15 11.128 -1.370 -5.884 1.00 1.00 O ATOM 239 CB GLU A 15 8.527 -2.983 -7.019 1.00 1.00 C ATOM 240 CG GLU A 15 9.354 -2.532 -8.229 1.00 1.00 C ATOM 241 CD GLU A 15 8.487 -2.521 -9.480 1.00 1.00 C ATOM 242 OE1 GLU A 15 7.426 -3.123 -9.448 1.00 1.00 O ATOM 243 OE2 GLU A 15 8.897 -1.912 -10.453 1.00 1.00 O ATOM 0 H GLU A 15 7.646 -3.569 -4.783 1.00 1.00 H new ATOM 0 HA GLU A 15 10.236 -3.748 -5.966 1.00 1.00 H new ATOM 0 HB2 GLU A 15 8.083 -3.959 -7.214 1.00 1.00 H new ATOM 0 HB3 GLU A 15 7.706 -2.287 -6.849 1.00 1.00 H new ATOM 0 HG2 GLU A 15 9.761 -1.537 -8.050 1.00 1.00 H new ATOM 0 HG3 GLU A 15 10.202 -3.203 -8.370 1.00 1.00 H new ATOM 250 N LYS A 16 9.221 -0.848 -4.820 1.00 1.00 N ATOM 251 CA LYS A 16 9.654 0.499 -4.488 1.00 1.00 C ATOM 252 C LYS A 16 10.733 0.489 -3.420 1.00 1.00 C ATOM 253 O LYS A 16 11.631 1.331 -3.419 1.00 1.00 O ATOM 254 CB LYS A 16 8.465 1.321 -4.000 1.00 1.00 C ATOM 255 CG LYS A 16 7.483 1.561 -5.170 1.00 1.00 C ATOM 256 CD LYS A 16 7.871 2.840 -5.935 1.00 1.00 C ATOM 257 CE LYS A 16 7.275 4.061 -5.228 1.00 1.00 C ATOM 258 NZ LYS A 16 7.600 5.286 -6.004 1.00 1.00 N ATOM 0 H LYS A 16 8.283 -1.084 -4.495 1.00 1.00 H new ATOM 0 HA LYS A 16 10.070 0.947 -5.390 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.958 0.799 -3.188 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.809 2.275 -3.600 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.495 0.706 -5.846 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.466 1.651 -4.788 1.00 1.00 H new ATOM 0 HD2 LYS A 16 8.956 2.930 -5.986 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.507 2.787 -6.961 1.00 1.00 H new ATOM 0 HE2 LYS A 16 6.194 3.951 -5.136 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.674 4.141 -4.217 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 8.168 5.929 -5.416 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 8.141 5.026 -6.853 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 6.719 5.762 -6.287 1.00 1.00 H new ATOM 272 N LEU A 17 10.616 -0.447 -2.489 1.00 1.00 N ATOM 273 CA LEU A 17 11.570 -0.542 -1.385 1.00 1.00 C ATOM 274 C LEU A 17 12.747 -1.428 -1.758 1.00 1.00 C ATOM 275 O LEU A 17 13.733 -1.496 -1.028 1.00 1.00 O ATOM 276 CB LEU A 17 10.868 -1.110 -0.151 1.00 1.00 C ATOM 277 CG LEU A 17 9.662 -0.227 0.211 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.908 -0.852 1.385 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.136 1.183 0.593 1.00 1.00 C ATOM 0 H LEU A 17 9.876 -1.149 -2.472 1.00 1.00 H new ATOM 0 HA LEU A 17 11.948 0.457 -1.168 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.538 -2.131 -0.346 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.564 -1.154 0.687 1.00 1.00 H new ATOM 0 HG LEU A 17 9.000 -0.155 -0.652 1.00 1.00 H new ATOM 0 HD11 LEU A 17 8.053 -0.227 1.642 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.560 -1.846 1.106 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.573 -0.929 2.245 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.274 1.800 0.847 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.805 1.122 1.452 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.666 1.629 -0.249 1.00 1.00 H new ATOM 291 N ALA A 18 12.643 -2.096 -2.899 1.00 1.00 N ATOM 292 CA ALA A 18 13.715 -2.975 -3.359 1.00 1.00 C ATOM 293 C ALA A 18 13.330 -3.643 -4.671 1.00 1.00 C ATOM 294 O ALA A 18 12.325 -3.296 -5.276 1.00 1.00 O ATOM 295 CB ALA A 18 13.995 -4.045 -2.303 1.00 1.00 C ATOM 0 H ALA A 18 11.835 -2.049 -3.520 1.00 1.00 H new ATOM 0 HA ALA A 18 14.612 -2.376 -3.519 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.795 -4.698 -2.650 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.296 -3.566 -1.371 1.00 1.00 H new ATOM 0 HB3 ALA A 18 13.094 -4.634 -2.134 1.00 1.00 H new ATOM 301 N LEU A 19 14.138 -4.602 -5.103 1.00 1.00 N ATOM 302 CA LEU A 19 13.866 -5.314 -6.346 1.00 1.00 C ATOM 303 C LEU A 19 12.796 -6.378 -6.126 1.00 1.00 C ATOM 304 O LEU A 19 12.127 -6.800 -7.069 1.00 1.00 O ATOM 305 CB LEU A 19 15.153 -5.973 -6.859 1.00 1.00 C ATOM 306 CG LEU A 19 16.019 -4.927 -7.562 1.00 1.00 C ATOM 307 CD1 LEU A 19 16.407 -3.830 -6.566 1.00 1.00 C ATOM 308 CD2 LEU A 19 17.284 -5.596 -8.104 1.00 1.00 C ATOM 0 H LEU A 19 14.982 -4.904 -4.616 1.00 1.00 H new ATOM 0 HA LEU A 19 13.504 -4.600 -7.086 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.703 -6.416 -6.029 1.00 1.00 H new ATOM 0 HB3 LEU A 19 14.910 -6.782 -7.548 1.00 1.00 H new ATOM 0 HG LEU A 19 15.459 -4.485 -8.386 1.00 1.00 H new ATOM 0 HD11 LEU A 19 17.024 -3.085 -7.068 1.00 1.00 H new ATOM 0 HD12 LEU A 19 15.506 -3.354 -6.180 1.00 1.00 H new ATOM 0 HD13 LEU A 19 16.968 -4.269 -5.741 1.00 1.00 H new ATOM 0 HD21 LEU A 19 17.903 -4.852 -8.606 1.00 1.00 H new ATOM 0 HD22 LEU A 19 17.844 -6.037 -7.280 1.00 1.00 H new ATOM 0 HD23 LEU A 19 17.008 -6.376 -8.814 1.00 1.00 H new ATOM 320 N GLY A 20 12.643 -6.811 -4.877 1.00 1.00 N ATOM 321 CA GLY A 20 11.653 -7.831 -4.546 1.00 1.00 C ATOM 322 C GLY A 20 12.248 -9.228 -4.677 1.00 1.00 C ATOM 323 O GLY A 20 11.571 -10.224 -4.423 1.00 1.00 O ATOM 0 H GLY A 20 13.188 -6.474 -4.083 1.00 1.00 H new ATOM 0 HA2 GLY A 20 11.294 -7.678 -3.528 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.791 -7.735 -5.206 1.00 1.00 H new ATOM 327 N ALA A 21 13.515 -9.295 -5.073 1.00 1.00 N ATOM 328 CA ALA A 21 14.189 -10.580 -5.233 1.00 1.00 C ATOM 329 C ALA A 21 14.740 -11.067 -3.898 1.00 1.00 C ATOM 330 O ALA A 21 14.488 -12.199 -3.490 1.00 1.00 O ATOM 331 CB ALA A 21 15.334 -10.446 -6.236 1.00 1.00 C ATOM 0 H ALA A 21 14.092 -8.482 -5.288 1.00 1.00 H new ATOM 0 HA ALA A 21 13.463 -11.305 -5.601 1.00 1.00 H new ATOM 0 HB1 ALA A 21 15.832 -11.409 -6.350 1.00 1.00 H new ATOM 0 HB2 ALA A 21 14.938 -10.126 -7.200 1.00 1.00 H new ATOM 0 HB3 ALA A 21 16.050 -9.708 -5.875 1.00 1.00 H new ATOM 337 N ASP A 22 15.494 -10.205 -3.223 1.00 1.00 N ATOM 338 CA ASP A 22 16.082 -10.555 -1.931 1.00 1.00 C ATOM 339 C ASP A 22 15.222 -10.029 -0.791 1.00 1.00 C ATOM 340 O ASP A 22 15.634 -10.059 0.364 1.00 1.00 O ATOM 341 CB ASP A 22 17.488 -9.968 -1.820 1.00 1.00 C ATOM 342 CG ASP A 22 18.391 -10.584 -2.882 1.00 1.00 C ATOM 343 OD1 ASP A 22 18.030 -11.625 -3.407 1.00 1.00 O ATOM 344 OD2 ASP A 22 19.430 -10.007 -3.155 1.00 1.00 O ATOM 0 H ASP A 22 15.713 -9.263 -3.546 1.00 1.00 H new ATOM 0 HA ASP A 22 16.135 -11.642 -1.862 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.451 -8.886 -1.945 1.00 1.00 H new ATOM 0 HB3 ASP A 22 17.895 -10.161 -0.827 1.00 1.00 H new ATOM 349 N VAL A 23 14.027 -9.542 -1.126 1.00 1.00 N ATOM 350 CA VAL A 23 13.113 -9.001 -0.116 1.00 1.00 C ATOM 351 C VAL A 23 11.810 -9.787 -0.114 1.00 1.00 C ATOM 352 O VAL A 23 11.240 -10.060 -1.168 1.00 1.00 O ATOM 353 CB VAL A 23 12.824 -7.527 -0.412 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.745 -7.014 0.546 1.00 1.00 C ATOM 355 CG2 VAL A 23 14.108 -6.704 -0.239 1.00 1.00 C ATOM 0 H VAL A 23 13.670 -9.510 -2.081 1.00 1.00 H new ATOM 0 HA VAL A 23 13.582 -9.087 0.864 1.00 1.00 H new ATOM 0 HB VAL A 23 12.471 -7.426 -1.438 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.540 -5.965 0.335 1.00 1.00 H new ATOM 0 HG12 VAL A 23 10.833 -7.596 0.412 1.00 1.00 H new ATOM 0 HG13 VAL A 23 12.093 -7.116 1.574 1.00 1.00 H new ATOM 0 HG21 VAL A 23 13.899 -5.655 -0.450 1.00 1.00 H new ATOM 0 HG22 VAL A 23 14.468 -6.803 0.785 1.00 1.00 H new ATOM 0 HG23 VAL A 23 14.869 -7.068 -0.929 1.00 1.00 H new ATOM 365 N VAL A 24 11.348 -10.148 1.080 1.00 1.00 N ATOM 366 CA VAL A 24 10.105 -10.905 1.224 1.00 1.00 C ATOM 367 C VAL A 24 9.040 -10.045 1.887 1.00 1.00 C ATOM 368 O VAL A 24 9.264 -9.474 2.951 1.00 1.00 O ATOM 369 CB VAL A 24 10.354 -12.151 2.074 1.00 1.00 C ATOM 370 CG1 VAL A 24 10.784 -11.738 3.487 1.00 1.00 C ATOM 371 CG2 VAL A 24 9.067 -12.973 2.149 1.00 1.00 C ATOM 0 H VAL A 24 11.813 -9.930 1.961 1.00 1.00 H new ATOM 0 HA VAL A 24 9.759 -11.202 0.234 1.00 1.00 H new ATOM 0 HB VAL A 24 11.145 -12.748 1.621 1.00 1.00 H new ATOM 0 HG11 VAL A 24 10.960 -12.630 4.089 1.00 1.00 H new ATOM 0 HG12 VAL A 24 11.701 -11.151 3.431 1.00 1.00 H new ATOM 0 HG13 VAL A 24 9.997 -11.140 3.946 1.00 1.00 H new ATOM 0 HG21 VAL A 24 9.239 -13.863 2.754 1.00 1.00 H new ATOM 0 HG22 VAL A 24 8.278 -12.373 2.602 1.00 1.00 H new ATOM 0 HG23 VAL A 24 8.766 -13.270 1.144 1.00 1.00 H new ATOM 381 N VAL A 25 7.881 -9.953 1.241 1.00 1.00 N ATOM 382 CA VAL A 25 6.766 -9.157 1.764 1.00 1.00 C ATOM 383 C VAL A 25 5.564 -10.045 2.054 1.00 1.00 C ATOM 384 O VAL A 25 5.259 -10.961 1.291 1.00 1.00 O ATOM 385 CB VAL A 25 6.375 -8.085 0.753 1.00 1.00 C ATOM 386 CG1 VAL A 25 5.916 -8.747 -0.544 1.00 1.00 C ATOM 387 CG2 VAL A 25 5.235 -7.243 1.330 1.00 1.00 C ATOM 0 H VAL A 25 7.686 -10.418 0.355 1.00 1.00 H new ATOM 0 HA VAL A 25 7.086 -8.684 2.692 1.00 1.00 H new ATOM 0 HB VAL A 25 7.234 -7.447 0.545 1.00 1.00 H new ATOM 0 HG11 VAL A 25 5.637 -7.979 -1.265 1.00 1.00 H new ATOM 0 HG12 VAL A 25 6.727 -9.350 -0.952 1.00 1.00 H new ATOM 0 HG13 VAL A 25 5.056 -9.385 -0.342 1.00 1.00 H new ATOM 0 HG21 VAL A 25 4.951 -6.474 0.611 1.00 1.00 H new ATOM 0 HG22 VAL A 25 4.377 -7.884 1.535 1.00 1.00 H new ATOM 0 HG23 VAL A 25 5.564 -6.771 2.256 1.00 1.00 H new ATOM 397 N THR A 26 4.887 -9.767 3.163 1.00 1.00 N ATOM 398 CA THR A 26 3.710 -10.544 3.557 1.00 1.00 C ATOM 399 C THR A 26 2.632 -9.632 4.139 1.00 1.00 C ATOM 400 O THR A 26 2.910 -8.508 4.549 1.00 1.00 O ATOM 401 CB THR A 26 4.113 -11.609 4.592 1.00 1.00 C ATOM 402 OG1 THR A 26 5.120 -11.080 5.444 1.00 1.00 O ATOM 403 CG2 THR A 26 4.643 -12.852 3.878 1.00 1.00 C ATOM 0 H THR A 26 5.129 -9.013 3.805 1.00 1.00 H new ATOM 0 HA THR A 26 3.304 -11.035 2.672 1.00 1.00 H new ATOM 0 HB THR A 26 3.241 -11.885 5.186 1.00 1.00 H new ATOM 0 HG1 THR A 26 5.377 -11.756 6.105 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.927 -13.602 4.616 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.867 -13.257 3.228 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.514 -12.584 3.280 1.00 1.00 H new ATOM 411 N ALA A 27 1.404 -10.130 4.174 1.00 1.00 N ATOM 412 CA ALA A 27 0.297 -9.363 4.710 1.00 1.00 C ATOM 413 C ALA A 27 0.555 -9.007 6.171 1.00 1.00 C ATOM 414 O ALA A 27 -0.009 -8.051 6.696 1.00 1.00 O ATOM 415 CB ALA A 27 -0.993 -10.176 4.595 1.00 1.00 C ATOM 0 H ALA A 27 1.153 -11.060 3.838 1.00 1.00 H new ATOM 0 HA ALA A 27 0.198 -8.440 4.138 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -1.824 -9.598 4.998 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.186 -10.406 3.547 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -0.890 -11.104 5.157 1.00 1.00 H new ATOM 421 N ASP A 28 1.396 -9.798 6.822 1.00 1.00 N ATOM 422 CA ASP A 28 1.713 -9.570 8.233 1.00 1.00 C ATOM 423 C ASP A 28 2.898 -8.620 8.373 1.00 1.00 C ATOM 424 O ASP A 28 3.135 -8.067 9.449 1.00 1.00 O ATOM 425 CB ASP A 28 2.042 -10.899 8.915 1.00 1.00 C ATOM 426 CG ASP A 28 2.092 -10.709 10.430 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.638 -9.675 10.892 1.00 1.00 O ATOM 428 OD2 ASP A 28 2.582 -11.600 11.102 1.00 1.00 O ATOM 0 H ASP A 28 1.870 -10.598 6.404 1.00 1.00 H new ATOM 0 HA ASP A 28 0.843 -9.119 8.711 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.290 -11.645 8.658 1.00 1.00 H new ATOM 0 HB3 ASP A 28 3.000 -11.275 8.555 1.00 1.00 H new ATOM 433 N SER A 29 3.643 -8.437 7.285 1.00 1.00 N ATOM 434 CA SER A 29 4.803 -7.558 7.311 1.00 1.00 C ATOM 435 C SER A 29 4.366 -6.100 7.390 1.00 1.00 C ATOM 436 O SER A 29 3.438 -5.682 6.699 1.00 1.00 O ATOM 437 CB SER A 29 5.644 -7.773 6.052 1.00 1.00 C ATOM 438 OG SER A 29 6.324 -9.018 6.147 1.00 1.00 O ATOM 0 H SER A 29 3.465 -8.882 6.385 1.00 1.00 H new ATOM 0 HA SER A 29 5.399 -7.795 8.192 1.00 1.00 H new ATOM 0 HB2 SER A 29 5.006 -7.761 5.168 1.00 1.00 H new ATOM 0 HB3 SER A 29 6.362 -6.961 5.938 1.00 1.00 H new ATOM 0 HG SER A 29 5.850 -9.691 5.616 1.00 1.00 H new ATOM 444 N GLU A 30 5.046 -5.330 8.232 1.00 1.00 N ATOM 445 CA GLU A 30 4.727 -3.913 8.394 1.00 1.00 C ATOM 446 C GLU A 30 5.533 -3.071 7.412 1.00 1.00 C ATOM 447 O GLU A 30 6.632 -3.448 7.018 1.00 1.00 O ATOM 448 CB GLU A 30 5.036 -3.468 9.823 1.00 1.00 C ATOM 449 CG GLU A 30 4.061 -4.143 10.788 1.00 1.00 C ATOM 450 CD GLU A 30 4.421 -3.789 12.226 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.380 -3.058 12.413 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.734 -4.255 13.120 1.00 1.00 O ATOM 0 H GLU A 30 5.818 -5.659 8.811 1.00 1.00 H new ATOM 0 HA GLU A 30 3.665 -3.772 8.193 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.062 -3.729 10.083 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.953 -2.384 9.904 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.042 -3.824 10.571 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.092 -5.224 10.652 1.00 1.00 H new ATOM 459 N PHE A 31 4.981 -1.929 7.026 1.00 1.00 N ATOM 460 CA PHE A 31 5.662 -1.041 6.088 1.00 1.00 C ATOM 461 C PHE A 31 7.016 -0.613 6.643 1.00 1.00 C ATOM 462 O PHE A 31 8.006 -0.557 5.912 1.00 1.00 O ATOM 463 CB PHE A 31 4.799 0.197 5.827 1.00 1.00 C ATOM 464 CG PHE A 31 3.651 -0.166 4.917 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.877 -0.342 3.545 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.357 -0.323 5.437 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.814 -0.677 2.703 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.299 -0.658 4.590 1.00 1.00 C ATOM 469 CZ PHE A 31 1.526 -0.833 3.224 1.00 1.00 C ATOM 0 H PHE A 31 4.071 -1.596 7.344 1.00 1.00 H new ATOM 0 HA PHE A 31 5.821 -1.579 5.153 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.418 0.592 6.769 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.402 0.983 5.372 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.871 -0.219 3.140 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.180 -0.185 6.493 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.988 -0.816 1.646 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.304 -0.782 4.992 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.706 -1.089 2.569 1.00 1.00 H new ATOM 479 N SER A 32 7.054 -0.311 7.933 1.00 1.00 N ATOM 480 CA SER A 32 8.293 0.112 8.576 1.00 1.00 C ATOM 481 C SER A 32 9.339 -0.995 8.502 1.00 1.00 C ATOM 482 O SER A 32 10.520 -0.733 8.268 1.00 1.00 O ATOM 483 CB SER A 32 8.029 0.470 10.037 1.00 1.00 C ATOM 484 OG SER A 32 9.236 0.918 10.636 1.00 1.00 O ATOM 0 H SER A 32 6.246 -0.350 8.554 1.00 1.00 H new ATOM 0 HA SER A 32 8.671 0.990 8.051 1.00 1.00 H new ATOM 0 HB2 SER A 32 7.267 1.247 10.101 1.00 1.00 H new ATOM 0 HB3 SER A 32 7.644 -0.398 10.572 1.00 1.00 H new ATOM 0 HG SER A 32 9.069 1.150 11.573 1.00 1.00 H new ATOM 490 N LYS A 33 8.903 -2.232 8.704 1.00 1.00 N ATOM 491 CA LYS A 33 9.814 -3.368 8.665 1.00 1.00 C ATOM 492 C LYS A 33 10.507 -3.458 7.315 1.00 1.00 C ATOM 493 O LYS A 33 11.697 -3.764 7.238 1.00 1.00 O ATOM 494 CB LYS A 33 9.034 -4.661 8.931 1.00 1.00 C ATOM 495 CG LYS A 33 8.600 -4.726 10.406 1.00 1.00 C ATOM 496 CD LYS A 33 9.733 -5.311 11.255 1.00 1.00 C ATOM 497 CE LYS A 33 9.287 -5.393 12.711 1.00 1.00 C ATOM 498 NZ LYS A 33 10.395 -5.952 13.534 1.00 1.00 N ATOM 0 H LYS A 33 7.931 -2.473 8.895 1.00 1.00 H new ATOM 0 HA LYS A 33 10.573 -3.231 9.435 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.158 -4.705 8.284 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.653 -5.524 8.688 1.00 1.00 H new ATOM 0 HG2 LYS A 33 8.343 -3.729 10.763 1.00 1.00 H new ATOM 0 HG3 LYS A 33 7.705 -5.340 10.505 1.00 1.00 H new ATOM 0 HD2 LYS A 33 10.001 -6.302 10.889 1.00 1.00 H new ATOM 0 HD3 LYS A 33 10.624 -4.688 11.171 1.00 1.00 H new ATOM 0 HE2 LYS A 33 9.012 -4.403 13.075 1.00 1.00 H new ATOM 0 HE3 LYS A 33 8.401 -6.022 12.797 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 10.094 -6.009 14.528 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 10.637 -6.903 13.190 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 11.228 -5.334 13.460 1.00 1.00 H new ATOM 512 N LEU A 34 9.759 -3.194 6.256 1.00 1.00 N ATOM 513 CA LEU A 34 10.315 -3.251 4.911 1.00 1.00 C ATOM 514 C LEU A 34 11.345 -2.151 4.710 1.00 1.00 C ATOM 515 O LEU A 34 12.200 -2.250 3.836 1.00 1.00 O ATOM 516 CB LEU A 34 9.196 -3.103 3.881 1.00 1.00 C ATOM 517 CG LEU A 34 8.146 -4.197 4.099 1.00 1.00 C ATOM 518 CD1 LEU A 34 7.007 -4.021 3.091 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.784 -5.585 3.924 1.00 1.00 C ATOM 0 H LEU A 34 8.772 -2.940 6.299 1.00 1.00 H new ATOM 0 HA LEU A 34 10.805 -4.216 4.779 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.734 -2.120 3.970 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.605 -3.173 2.873 1.00 1.00 H new ATOM 0 HG LEU A 34 7.751 -4.115 5.112 1.00 1.00 H new ATOM 0 HD11 LEU A 34 6.260 -4.800 3.246 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.546 -3.043 3.230 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.403 -4.095 2.078 1.00 1.00 H new ATOM 0 HD21 LEU A 34 8.029 -6.355 4.081 1.00 1.00 H new ATOM 0 HD22 LEU A 34 9.189 -5.675 2.916 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.587 -5.711 4.650 1.00 1.00 H new ATOM 531 N GLY A 35 11.260 -1.107 5.529 1.00 1.00 N ATOM 532 CA GLY A 35 12.198 0.015 5.441 1.00 1.00 C ATOM 533 C GLY A 35 11.484 1.288 5.007 1.00 1.00 C ATOM 534 O GLY A 35 12.061 2.374 5.045 1.00 1.00 O ATOM 0 H GLY A 35 10.555 -1.011 6.260 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.674 0.172 6.409 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.990 -0.223 4.731 1.00 1.00 H new ATOM 538 N ALA A 36 10.230 1.150 4.589 1.00 1.00 N ATOM 539 CA ALA A 36 9.455 2.301 4.146 1.00 1.00 C ATOM 540 C ALA A 36 9.532 3.420 5.173 1.00 1.00 C ATOM 541 O ALA A 36 8.955 3.322 6.254 1.00 1.00 O ATOM 542 CB ALA A 36 7.994 1.894 3.938 1.00 1.00 C ATOM 0 H ALA A 36 9.733 0.260 4.548 1.00 1.00 H new ATOM 0 HA ALA A 36 9.870 2.659 3.204 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.419 2.759 3.607 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.939 1.110 3.182 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.583 1.523 4.877 1.00 1.00 H new ATOM 548 N ASP A 37 10.241 4.489 4.822 1.00 1.00 N ATOM 549 CA ASP A 37 10.387 5.637 5.716 1.00 1.00 C ATOM 550 C ASP A 37 9.411 6.741 5.327 1.00 1.00 C ATOM 551 O ASP A 37 8.583 6.567 4.434 1.00 1.00 O ATOM 552 CB ASP A 37 11.818 6.168 5.653 1.00 1.00 C ATOM 553 CG ASP A 37 12.767 5.186 6.333 1.00 1.00 C ATOM 554 OD1 ASP A 37 12.284 4.316 7.039 1.00 1.00 O ATOM 555 OD2 ASP A 37 13.964 5.319 6.138 1.00 1.00 O ATOM 0 H ASP A 37 10.723 4.586 3.928 1.00 1.00 H new ATOM 0 HA ASP A 37 10.167 5.315 6.734 1.00 1.00 H new ATOM 0 HB2 ASP A 37 12.115 6.315 4.615 1.00 1.00 H new ATOM 0 HB3 ASP A 37 11.876 7.141 6.142 1.00 1.00 H new ATOM 560 N SER A 38 9.518 7.878 6.004 1.00 1.00 N ATOM 561 CA SER A 38 8.641 9.010 5.724 1.00 1.00 C ATOM 562 C SER A 38 8.802 9.464 4.277 1.00 1.00 C ATOM 563 O SER A 38 7.822 9.773 3.600 1.00 1.00 O ATOM 564 CB SER A 38 8.969 10.169 6.666 1.00 1.00 C ATOM 0 H SER A 38 10.198 8.041 6.746 1.00 1.00 H new ATOM 0 HA SER A 38 7.609 8.697 5.882 1.00 1.00 H new ATOM 569 N LEU A 39 10.045 9.503 3.811 1.00 1.00 N ATOM 570 CA LEU A 39 10.327 9.918 2.442 1.00 1.00 C ATOM 571 C LEU A 39 9.738 8.927 1.453 1.00 1.00 C ATOM 572 O LEU A 39 9.242 9.316 0.406 1.00 1.00 O ATOM 573 CB LEU A 39 11.836 10.026 2.227 1.00 1.00 C ATOM 574 CG LEU A 39 12.448 10.896 3.329 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.967 10.954 3.148 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.865 12.317 3.256 1.00 1.00 C ATOM 0 H LEU A 39 10.869 9.254 4.357 1.00 1.00 H new ATOM 0 HA LEU A 39 9.870 10.893 2.276 1.00 1.00 H new ATOM 0 HB2 LEU A 39 12.288 9.034 2.239 1.00 1.00 H new ATOM 0 HB3 LEU A 39 12.045 10.459 1.249 1.00 1.00 H new ATOM 0 HG LEU A 39 12.213 10.463 4.301 1.00 1.00 H new ATOM 0 HD11 LEU A 39 14.403 11.573 3.932 1.00 1.00 H new ATOM 0 HD12 LEU A 39 14.379 9.947 3.209 1.00 1.00 H new ATOM 0 HD13 LEU A 39 14.201 11.383 2.174 1.00 1.00 H new ATOM 0 HD21 LEU A 39 12.304 12.931 4.042 1.00 1.00 H new ATOM 0 HD22 LEU A 39 12.093 12.754 2.284 1.00 1.00 H new ATOM 0 HD23 LEU A 39 10.784 12.274 3.390 1.00 1.00 H new ATOM 588 N ASP A 40 9.819 7.647 1.783 1.00 1.00 N ATOM 589 CA ASP A 40 9.288 6.606 0.908 1.00 1.00 C ATOM 590 C ASP A 40 7.782 6.471 1.091 1.00 1.00 C ATOM 591 O ASP A 40 7.060 6.227 0.132 1.00 1.00 O ATOM 592 CB ASP A 40 9.969 5.266 1.221 1.00 1.00 C ATOM 593 CG ASP A 40 11.336 5.194 0.543 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.663 6.108 -0.198 1.00 1.00 O ATOM 595 OD2 ASP A 40 12.035 4.221 0.769 1.00 1.00 O ATOM 0 H ASP A 40 10.244 7.303 2.644 1.00 1.00 H new ATOM 0 HA ASP A 40 9.491 6.884 -0.126 1.00 1.00 H new ATOM 0 HB2 ASP A 40 10.084 5.152 2.299 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.342 4.443 0.878 1.00 1.00 H new ATOM 600 N THR A 41 7.319 6.614 2.325 1.00 1.00 N ATOM 601 CA THR A 41 5.902 6.468 2.619 1.00 1.00 C ATOM 602 C THR A 41 5.053 7.223 1.604 1.00 1.00 C ATOM 603 O THR A 41 4.037 6.715 1.133 1.00 1.00 O ATOM 604 CB THR A 41 5.607 7.015 4.024 1.00 1.00 C ATOM 605 OG1 THR A 41 6.270 6.213 4.992 1.00 1.00 O ATOM 606 CG2 THR A 41 4.099 6.995 4.285 1.00 1.00 C ATOM 0 H THR A 41 7.901 6.830 3.134 1.00 1.00 H new ATOM 0 HA THR A 41 5.652 5.408 2.568 1.00 1.00 H new ATOM 0 HB THR A 41 5.966 8.042 4.093 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.122 5.896 4.626 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.897 7.384 5.283 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.593 7.615 3.545 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.731 5.972 4.213 1.00 1.00 H new ATOM 614 N VAL A 42 5.467 8.433 1.281 1.00 1.00 N ATOM 615 CA VAL A 42 4.722 9.253 0.330 1.00 1.00 C ATOM 616 C VAL A 42 4.761 8.625 -1.061 1.00 1.00 C ATOM 617 O VAL A 42 3.800 8.716 -1.819 1.00 1.00 O ATOM 618 CB VAL A 42 5.315 10.666 0.274 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.653 10.640 -0.474 1.00 1.00 C ATOM 620 CG2 VAL A 42 4.338 11.602 -0.442 1.00 1.00 C ATOM 0 H VAL A 42 6.308 8.872 1.656 1.00 1.00 H new ATOM 0 HA VAL A 42 3.686 9.311 0.663 1.00 1.00 H new ATOM 0 HB VAL A 42 5.483 11.027 1.289 1.00 1.00 H new ATOM 0 HG11 VAL A 42 7.069 11.647 -0.510 1.00 1.00 H new ATOM 0 HG12 VAL A 42 7.347 9.979 0.045 1.00 1.00 H new ATOM 0 HG13 VAL A 42 6.495 10.276 -1.489 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.759 12.606 -0.482 1.00 1.00 H new ATOM 0 HG22 VAL A 42 4.165 11.241 -1.456 1.00 1.00 H new ATOM 0 HG23 VAL A 42 3.393 11.626 0.101 1.00 1.00 H new ATOM 630 N GLU A 43 5.886 8.005 -1.396 1.00 1.00 N ATOM 631 CA GLU A 43 6.041 7.380 -2.699 1.00 1.00 C ATOM 632 C GLU A 43 5.135 6.161 -2.825 1.00 1.00 C ATOM 633 O GLU A 43 4.562 5.910 -3.884 1.00 1.00 O ATOM 634 CB GLU A 43 7.498 6.959 -2.899 1.00 1.00 C ATOM 635 CG GLU A 43 8.394 8.197 -2.976 1.00 1.00 C ATOM 636 CD GLU A 43 8.078 8.991 -4.239 1.00 1.00 C ATOM 637 OE1 GLU A 43 7.511 8.413 -5.152 1.00 1.00 O ATOM 638 OE2 GLU A 43 8.407 10.165 -4.274 1.00 1.00 O ATOM 0 H GLU A 43 6.699 7.923 -0.786 1.00 1.00 H new ATOM 0 HA GLU A 43 5.759 8.103 -3.465 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.817 6.320 -2.076 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.594 6.373 -3.813 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.242 8.822 -2.096 1.00 1.00 H new ATOM 0 HG3 GLU A 43 9.442 7.898 -2.977 1.00 1.00 H new ATOM 645 N ILE A 44 5.021 5.401 -1.744 1.00 1.00 N ATOM 646 CA ILE A 44 4.189 4.200 -1.756 1.00 1.00 C ATOM 647 C ILE A 44 2.742 4.544 -2.076 1.00 1.00 C ATOM 648 O ILE A 44 2.143 3.948 -2.969 1.00 1.00 O ATOM 649 CB ILE A 44 4.251 3.513 -0.387 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.711 3.235 -0.007 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.483 2.197 -0.428 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.402 2.415 -1.098 1.00 1.00 C ATOM 0 H ILE A 44 5.487 5.589 -0.856 1.00 1.00 H new ATOM 0 HA ILE A 44 4.570 3.530 -2.527 1.00 1.00 H new ATOM 0 HB ILE A 44 3.801 4.172 0.356 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.241 4.177 0.139 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.750 2.697 0.940 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.533 1.716 0.549 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.442 2.391 -0.684 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.925 1.541 -1.178 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.437 2.227 -0.812 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.882 1.465 -1.224 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.380 2.968 -2.037 1.00 1.00 H new ATOM 664 N VAL A 45 2.194 5.508 -1.353 1.00 1.00 N ATOM 665 CA VAL A 45 0.817 5.923 -1.580 1.00 1.00 C ATOM 666 C VAL A 45 0.676 6.592 -2.941 1.00 1.00 C ATOM 667 O VAL A 45 -0.339 6.437 -3.615 1.00 1.00 O ATOM 668 CB VAL A 45 0.374 6.886 -0.480 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.317 8.083 -0.444 1.00 1.00 C ATOM 670 CG2 VAL A 45 -1.051 7.366 -0.764 1.00 1.00 C ATOM 0 H VAL A 45 2.676 6.014 -0.610 1.00 1.00 H new ATOM 0 HA VAL A 45 0.182 5.038 -1.560 1.00 1.00 H new ATOM 0 HB VAL A 45 0.399 6.375 0.482 1.00 1.00 H new ATOM 0 HG11 VAL A 45 1.002 8.771 0.341 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.332 7.741 -0.241 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.293 8.594 -1.406 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -1.367 8.053 0.021 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -1.078 7.877 -1.726 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -1.725 6.510 -0.789 1.00 1.00 H new ATOM 680 N MET A 46 1.692 7.347 -3.331 1.00 1.00 N ATOM 681 CA MET A 46 1.654 8.048 -4.609 1.00 1.00 C ATOM 682 C MET A 46 1.528 7.059 -5.763 1.00 1.00 C ATOM 683 O MET A 46 0.699 7.233 -6.652 1.00 1.00 O ATOM 684 CB MET A 46 2.929 8.872 -4.791 1.00 1.00 C ATOM 685 CG MET A 46 2.772 9.840 -5.973 1.00 1.00 C ATOM 686 SD MET A 46 2.004 11.367 -5.382 1.00 1.00 S ATOM 687 CE MET A 46 3.516 12.165 -4.786 1.00 1.00 C ATOM 0 H MET A 46 2.544 7.490 -2.789 1.00 1.00 H new ATOM 0 HA MET A 46 0.786 8.707 -4.610 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.142 9.431 -3.880 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.777 8.209 -4.964 1.00 1.00 H new ATOM 0 HG2 MET A 46 3.744 10.054 -6.416 1.00 1.00 H new ATOM 0 HG3 MET A 46 2.159 9.387 -6.752 1.00 1.00 H new ATOM 0 HE1 MET A 46 3.279 12.806 -3.937 1.00 1.00 H new ATOM 0 HE2 MET A 46 4.232 11.403 -4.477 1.00 1.00 H new ATOM 0 HE3 MET A 46 3.949 12.767 -5.585 1.00 1.00 H new ATOM 697 N ASN A 47 2.359 6.023 -5.744 1.00 1.00 N ATOM 698 CA ASN A 47 2.329 5.018 -6.800 1.00 1.00 C ATOM 699 C ASN A 47 1.006 4.261 -6.785 1.00 1.00 C ATOM 700 O ASN A 47 0.426 3.986 -7.837 1.00 1.00 O ATOM 701 CB ASN A 47 3.496 4.035 -6.613 1.00 1.00 C ATOM 702 CG ASN A 47 4.777 4.621 -7.200 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.259 5.730 -6.711 1.00 1.00 O flip ATOM 704 ND2 ASN A 47 5.348 4.055 -8.131 1.00 1.00 N flip ATOM 0 H ASN A 47 3.055 5.858 -5.017 1.00 1.00 H new ATOM 0 HA ASN A 47 2.428 5.520 -7.762 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.637 3.823 -5.553 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.265 3.087 -7.099 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.968 3.188 -8.511 1.00 1.00 H new ATOM 0 HD22 ASN A 47 6.201 4.453 -8.523 1.00 1.00 H new ATOM 711 N LEU A 48 0.541 3.909 -5.593 1.00 1.00 N ATOM 712 CA LEU A 48 -0.701 3.169 -5.466 1.00 1.00 C ATOM 713 C LEU A 48 -1.877 3.992 -5.966 1.00 1.00 C ATOM 714 O LEU A 48 -2.728 3.495 -6.700 1.00 1.00 O ATOM 715 CB LEU A 48 -0.924 2.787 -3.997 1.00 1.00 C ATOM 716 CG LEU A 48 0.118 1.744 -3.561 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.249 1.760 -2.035 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.328 0.344 -4.008 1.00 1.00 C ATOM 0 H LEU A 48 1.003 4.123 -4.709 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.630 2.267 -6.074 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -0.849 3.673 -3.367 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -1.929 2.386 -3.865 1.00 1.00 H new ATOM 0 HG LEU A 48 1.077 1.986 -4.019 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.988 1.021 -1.725 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.567 2.750 -1.707 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.714 1.521 -1.585 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.414 -0.391 -3.696 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.289 0.105 -3.552 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.426 0.323 -5.093 1.00 1.00 H new ATOM 730 N GLU A 49 -1.911 5.254 -5.576 1.00 1.00 N ATOM 731 CA GLU A 49 -2.990 6.136 -5.997 1.00 1.00 C ATOM 732 C GLU A 49 -3.002 6.284 -7.510 1.00 1.00 C ATOM 733 O GLU A 49 -4.062 6.360 -8.129 1.00 1.00 O ATOM 734 CB GLU A 49 -2.833 7.508 -5.339 1.00 1.00 C ATOM 735 CG GLU A 49 -3.221 7.422 -3.860 1.00 1.00 C ATOM 736 CD GLU A 49 -2.974 8.761 -3.179 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.514 9.670 -3.850 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.251 8.861 -1.994 1.00 1.00 O ATOM 0 H GLU A 49 -1.212 5.690 -4.974 1.00 1.00 H new ATOM 0 HA GLU A 49 -3.937 5.696 -5.684 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.803 7.852 -5.435 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.461 8.239 -5.847 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.271 7.145 -3.766 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.641 6.642 -3.368 1.00 1.00 H new ATOM 745 N GLU A 50 -1.822 6.324 -8.094 1.00 1.00 N ATOM 746 CA GLU A 50 -1.693 6.458 -9.543 1.00 1.00 C ATOM 747 C GLU A 50 -2.019 5.145 -10.242 1.00 1.00 C ATOM 748 O GLU A 50 -2.606 5.137 -11.327 1.00 1.00 O ATOM 749 CB GLU A 50 -0.275 6.897 -9.910 1.00 1.00 C ATOM 750 CG GLU A 50 -0.054 8.343 -9.465 1.00 1.00 C ATOM 751 CD GLU A 50 1.394 8.748 -9.710 1.00 1.00 C ATOM 752 OE1 GLU A 50 2.146 7.922 -10.200 1.00 1.00 O ATOM 753 OE2 GLU A 50 1.731 9.881 -9.405 1.00 1.00 O ATOM 0 H GLU A 50 -0.935 6.266 -7.594 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.403 7.215 -9.876 1.00 1.00 H new ATOM 0 HB2 GLU A 50 0.454 6.243 -9.431 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.124 6.810 -10.986 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.723 9.007 -10.012 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -0.296 8.448 -8.407 1.00 1.00 H new ATOM 760 N GLU A 51 -1.621 4.034 -9.626 1.00 1.00 N ATOM 761 CA GLU A 51 -1.862 2.727 -10.211 1.00 1.00 C ATOM 762 C GLU A 51 -3.351 2.412 -10.248 1.00 1.00 C ATOM 763 O GLU A 51 -3.866 1.932 -11.255 1.00 1.00 O ATOM 764 CB GLU A 51 -1.132 1.652 -9.401 1.00 1.00 C ATOM 765 CG GLU A 51 -1.047 0.353 -10.211 1.00 1.00 C ATOM 766 CD GLU A 51 -2.427 -0.286 -10.316 1.00 1.00 C ATOM 767 OE1 GLU A 51 -3.189 -0.163 -9.371 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.705 -0.883 -11.342 1.00 1.00 O ATOM 0 H GLU A 51 -1.135 4.017 -8.730 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.484 2.737 -11.233 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.130 1.996 -9.144 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.658 1.472 -8.463 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -0.656 0.561 -11.207 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -0.352 -0.338 -9.734 1.00 1.00 H new ATOM 775 N PHE A 52 -4.036 2.681 -9.142 1.00 1.00 N ATOM 776 CA PHE A 52 -5.471 2.416 -9.055 1.00 1.00 C ATOM 777 C PHE A 52 -6.265 3.680 -9.360 1.00 1.00 C ATOM 778 O PHE A 52 -7.494 3.654 -9.410 1.00 1.00 O ATOM 779 CB PHE A 52 -5.820 1.908 -7.657 1.00 1.00 C ATOM 780 CG PHE A 52 -5.172 0.564 -7.428 1.00 1.00 C ATOM 781 CD1 PHE A 52 -5.768 -0.594 -7.936 1.00 1.00 C ATOM 782 CD2 PHE A 52 -3.975 0.476 -6.706 1.00 1.00 C ATOM 783 CE1 PHE A 52 -5.168 -1.839 -7.723 1.00 1.00 C ATOM 784 CE2 PHE A 52 -3.375 -0.767 -6.492 1.00 1.00 C ATOM 785 CZ PHE A 52 -3.971 -1.925 -7.001 1.00 1.00 C ATOM 0 H PHE A 52 -3.626 3.080 -8.297 1.00 1.00 H new ATOM 0 HA PHE A 52 -5.731 1.655 -9.790 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.479 2.620 -6.905 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -6.901 1.824 -7.549 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -6.691 -0.527 -8.493 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -3.515 1.371 -6.314 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -5.628 -2.734 -8.115 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -2.452 -0.834 -5.934 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.508 -2.887 -6.837 1.00 1.00 H new ATOM 795 N GLY A 53 -5.555 4.785 -9.571 1.00 1.00 N ATOM 796 CA GLY A 53 -6.210 6.050 -9.881 1.00 1.00 C ATOM 797 C GLY A 53 -7.228 6.414 -8.809 1.00 1.00 C ATOM 798 O GLY A 53 -8.373 6.729 -9.116 1.00 1.00 O ATOM 0 H GLY A 53 -4.537 4.830 -9.533 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.463 6.840 -9.962 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -6.706 5.979 -10.849 1.00 1.00 H new ATOM 802 N ILE A 54 -6.801 6.361 -7.550 1.00 1.00 N ATOM 803 CA ILE A 54 -7.685 6.683 -6.424 1.00 1.00 C ATOM 804 C ILE A 54 -7.111 7.831 -5.608 1.00 1.00 C ATOM 805 O ILE A 54 -6.035 8.345 -5.911 1.00 1.00 O ATOM 806 CB ILE A 54 -7.858 5.456 -5.534 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.489 4.968 -5.048 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.540 4.338 -6.328 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.660 3.872 -3.986 1.00 1.00 C ATOM 0 H ILE A 54 -5.853 6.100 -7.280 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.655 6.984 -6.819 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.473 5.723 -4.675 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -5.913 4.582 -5.889 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -5.925 5.802 -4.632 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.663 3.462 -5.691 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.518 4.678 -6.669 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -7.926 4.077 -7.190 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.679 3.535 -3.650 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.217 4.271 -3.138 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.205 3.031 -4.415 1.00 1.00 H new ATOM 821 N ASN A 55 -7.840 8.234 -4.573 1.00 1.00 N ATOM 822 CA ASN A 55 -7.398 9.329 -3.714 1.00 1.00 C ATOM 823 C ASN A 55 -7.763 9.048 -2.262 1.00 1.00 C ATOM 824 O ASN A 55 -8.924 8.794 -1.946 1.00 1.00 O ATOM 825 CB ASN A 55 -8.055 10.633 -4.162 1.00 1.00 C ATOM 826 CG ASN A 55 -7.883 10.813 -5.666 1.00 1.00 C ATOM 827 OD1 ASN A 55 -6.932 11.456 -6.111 1.00 1.00 O ATOM 828 ND2 ASN A 55 -8.748 10.270 -6.480 1.00 1.00 N ATOM 0 H ASN A 55 -8.735 7.822 -4.309 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.315 9.419 -3.794 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -9.115 10.622 -3.907 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.609 11.475 -3.633 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -8.637 10.378 -7.488 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.535 9.738 -6.108 1.00 1.00 H new ATOM 835 N VAL A 56 -6.766 9.098 -1.384 1.00 1.00 N ATOM 836 CA VAL A 56 -6.992 8.851 0.040 1.00 1.00 C ATOM 837 C VAL A 56 -6.147 9.798 0.885 1.00 1.00 C ATOM 838 O VAL A 56 -4.982 10.051 0.578 1.00 1.00 O ATOM 839 CB VAL A 56 -6.633 7.403 0.381 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.214 7.100 -0.101 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.718 7.195 1.897 1.00 1.00 C ATOM 0 H VAL A 56 -5.798 9.306 -1.629 1.00 1.00 H new ATOM 0 HA VAL A 56 -8.045 9.026 0.259 1.00 1.00 H new ATOM 0 HB VAL A 56 -7.334 6.731 -0.114 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -4.960 6.068 0.142 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -5.158 7.243 -1.180 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -4.511 7.773 0.391 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.462 6.163 2.138 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -6.021 7.868 2.396 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -7.732 7.406 2.237 1.00 1.00 H new ATOM 851 N ASP A 57 -6.742 10.311 1.956 1.00 1.00 N ATOM 852 CA ASP A 57 -6.037 11.222 2.848 1.00 1.00 C ATOM 853 C ASP A 57 -5.082 10.449 3.754 1.00 1.00 C ATOM 854 O ASP A 57 -5.366 9.320 4.153 1.00 1.00 O ATOM 855 CB ASP A 57 -7.041 11.999 3.704 1.00 1.00 C ATOM 856 CG ASP A 57 -7.717 13.079 2.867 1.00 1.00 C ATOM 857 OD1 ASP A 57 -7.314 13.262 1.729 1.00 1.00 O ATOM 858 OD2 ASP A 57 -8.627 13.713 3.376 1.00 1.00 O ATOM 0 H ASP A 57 -7.705 10.113 2.226 1.00 1.00 H new ATOM 0 HA ASP A 57 -5.461 11.922 2.242 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -7.791 11.318 4.107 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -6.532 12.452 4.554 1.00 1.00 H new ATOM 863 N GLU A 58 -3.949 11.065 4.072 1.00 1.00 N ATOM 864 CA GLU A 58 -2.957 10.427 4.930 1.00 1.00 C ATOM 865 C GLU A 58 -3.511 10.245 6.342 1.00 1.00 C ATOM 866 O GLU A 58 -3.211 9.260 7.015 1.00 1.00 O ATOM 867 CB GLU A 58 -1.687 11.277 4.985 1.00 1.00 C ATOM 868 CG GLU A 58 -0.566 10.481 5.658 1.00 1.00 C ATOM 869 CD GLU A 58 -0.098 9.362 4.732 1.00 1.00 C ATOM 870 OE1 GLU A 58 -0.539 9.337 3.595 1.00 1.00 O ATOM 871 OE2 GLU A 58 0.693 8.545 5.175 1.00 1.00 O ATOM 0 H GLU A 58 -3.695 11.999 3.751 1.00 1.00 H new ATOM 0 HA GLU A 58 -2.719 9.448 4.513 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -1.387 11.567 3.978 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -1.876 12.197 5.538 1.00 1.00 H new ATOM 0 HG2 GLU A 58 0.268 11.141 5.896 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -0.920 10.062 6.600 1.00 1.00 H new ATOM 878 N ASP A 59 -4.318 11.203 6.783 1.00 1.00 N ATOM 879 CA ASP A 59 -4.907 11.140 8.115 1.00 1.00 C ATOM 880 C ASP A 59 -5.821 9.926 8.240 1.00 1.00 C ATOM 881 O ASP A 59 -5.913 9.315 9.305 1.00 1.00 O ATOM 882 CB ASP A 59 -5.709 12.413 8.394 1.00 1.00 C ATOM 883 CG ASP A 59 -6.120 12.461 9.863 1.00 1.00 C ATOM 884 OD1 ASP A 59 -6.143 11.412 10.485 1.00 1.00 O ATOM 885 OD2 ASP A 59 -6.406 13.545 10.342 1.00 1.00 O ATOM 0 H ASP A 59 -4.578 12.027 6.242 1.00 1.00 H new ATOM 0 HA ASP A 59 -4.101 11.052 8.843 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -5.112 13.290 8.146 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -6.595 12.441 7.759 1.00 1.00 H new ATOM 890 N LYS A 60 -6.501 9.585 7.148 1.00 1.00 N ATOM 891 CA LYS A 60 -7.409 8.444 7.151 1.00 1.00 C ATOM 892 C LYS A 60 -6.637 7.145 6.958 1.00 1.00 C ATOM 893 O LYS A 60 -7.163 6.060 7.198 1.00 1.00 O ATOM 894 CB LYS A 60 -8.435 8.597 6.031 1.00 1.00 C ATOM 895 CG LYS A 60 -9.306 9.823 6.306 1.00 1.00 C ATOM 896 CD LYS A 60 -10.332 9.980 5.186 1.00 1.00 C ATOM 897 CE LYS A 60 -11.179 11.229 5.437 1.00 1.00 C ATOM 898 NZ LYS A 60 -12.156 11.402 4.323 1.00 1.00 N ATOM 0 H LYS A 60 -6.441 10.079 6.257 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.919 8.411 8.114 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.929 8.704 5.071 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -9.055 7.703 5.966 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.812 9.715 7.265 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.685 10.716 6.373 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -9.826 10.059 4.224 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.971 9.098 5.138 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.707 11.138 6.386 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -10.537 12.107 5.511 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.731 12.251 4.495 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -11.643 11.507 3.424 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -12.776 10.568 4.272 1.00 1.00 H new ATOM 912 N ALA A 61 -5.385 7.263 6.518 1.00 1.00 N ATOM 913 CA ALA A 61 -4.543 6.088 6.291 1.00 1.00 C ATOM 914 C ALA A 61 -3.669 5.806 7.510 1.00 1.00 C ATOM 915 O ALA A 61 -2.700 5.052 7.433 1.00 1.00 O ATOM 916 CB ALA A 61 -3.658 6.310 5.065 1.00 1.00 C ATOM 0 H ALA A 61 -4.933 8.154 6.313 1.00 1.00 H new ATOM 0 HA ALA A 61 -5.192 5.229 6.120 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -3.034 5.431 4.903 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -4.285 6.477 4.189 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -3.023 7.181 5.228 1.00 1.00 H new ATOM 922 N GLN A 62 -4.015 6.422 8.631 1.00 1.00 N ATOM 923 CA GLN A 62 -3.256 6.232 9.864 1.00 1.00 C ATOM 924 C GLN A 62 -3.443 4.819 10.402 1.00 1.00 C ATOM 925 O GLN A 62 -2.503 4.211 10.914 1.00 1.00 O ATOM 926 CB GLN A 62 -3.707 7.246 10.919 1.00 1.00 C ATOM 927 CG GLN A 62 -3.279 8.654 10.496 1.00 1.00 C ATOM 928 CD GLN A 62 -1.760 8.777 10.548 1.00 1.00 C ATOM 929 OE1 GLN A 62 -1.145 8.445 11.561 1.00 1.00 O ATOM 930 NE2 GLN A 62 -1.115 9.236 9.511 1.00 1.00 N ATOM 0 H GLN A 62 -4.811 7.054 8.715 1.00 1.00 H new ATOM 0 HA GLN A 62 -2.200 6.384 9.641 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.790 7.205 11.038 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -3.270 6.998 11.886 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -3.634 8.863 9.487 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -3.734 9.394 11.154 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.627 9.511 8.673 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -0.099 9.320 9.539 1.00 1.00 H new ATOM 939 N ASP A 63 -4.660 4.305 10.285 1.00 1.00 N ATOM 940 CA ASP A 63 -4.961 2.963 10.769 1.00 1.00 C ATOM 941 C ASP A 63 -4.158 1.921 10.001 1.00 1.00 C ATOM 942 O ASP A 63 -4.164 0.740 10.344 1.00 1.00 O ATOM 943 CB ASP A 63 -6.450 2.676 10.607 1.00 1.00 C ATOM 944 CG ASP A 63 -6.878 2.908 9.162 1.00 1.00 C ATOM 945 OD1 ASP A 63 -6.065 3.399 8.397 1.00 1.00 O ATOM 946 OD2 ASP A 63 -8.014 2.596 8.843 1.00 1.00 O ATOM 0 H ASP A 63 -5.450 4.792 9.862 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.689 2.909 11.823 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.663 1.647 10.896 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -7.026 3.319 11.272 1.00 1.00 H new ATOM 951 N ILE A 64 -3.478 2.366 8.960 1.00 1.00 N ATOM 952 CA ILE A 64 -2.671 1.464 8.139 1.00 1.00 C ATOM 953 C ILE A 64 -1.381 1.098 8.861 1.00 1.00 C ATOM 954 O ILE A 64 -0.637 1.973 9.302 1.00 1.00 O ATOM 955 CB ILE A 64 -2.327 2.128 6.806 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.621 2.588 6.125 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.600 1.134 5.899 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.565 1.398 5.895 1.00 1.00 C ATOM 0 H ILE A 64 -3.464 3.341 8.659 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.251 0.560 7.957 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.678 2.985 6.986 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -4.116 3.338 6.742 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.388 3.063 5.172 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.359 1.615 4.951 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.681 0.805 6.383 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.242 0.272 5.715 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.477 1.746 5.411 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.074 0.662 5.258 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.814 0.941 6.853 1.00 1.00 H new ATOM 970 N SER A 65 -1.121 -0.201 8.974 1.00 1.00 N ATOM 971 CA SER A 65 0.085 -0.684 9.641 1.00 1.00 C ATOM 972 C SER A 65 0.691 -1.851 8.874 1.00 1.00 C ATOM 973 O SER A 65 1.863 -2.170 9.046 1.00 1.00 O ATOM 974 CB SER A 65 -0.251 -1.125 11.064 1.00 1.00 C ATOM 975 OG SER A 65 -0.933 -0.073 11.734 1.00 1.00 O ATOM 0 H SER A 65 -1.728 -0.937 8.613 1.00 1.00 H new ATOM 0 HA SER A 65 0.811 0.128 9.673 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.872 -2.020 11.042 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.661 -1.383 11.602 1.00 1.00 H new ATOM 0 HG SER A 65 -1.151 -0.354 12.647 1.00 1.00 H new ATOM 981 N THR A 66 -0.117 -2.485 8.027 1.00 1.00 N ATOM 982 CA THR A 66 0.349 -3.626 7.234 1.00 1.00 C ATOM 983 C THR A 66 -0.171 -3.530 5.806 1.00 1.00 C ATOM 984 O THR A 66 -0.984 -2.664 5.486 1.00 1.00 O ATOM 985 CB THR A 66 -0.130 -4.930 7.868 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.538 -5.038 7.718 1.00 1.00 O ATOM 987 CG2 THR A 66 0.231 -4.944 9.352 1.00 1.00 C ATOM 0 H THR A 66 -1.093 -2.232 7.871 1.00 1.00 H new ATOM 0 HA THR A 66 1.439 -3.612 7.213 1.00 1.00 H new ATOM 0 HB THR A 66 0.354 -5.773 7.374 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.847 -5.875 8.123 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.112 -5.876 9.801 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.312 -4.864 9.464 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.249 -4.102 9.851 1.00 1.00 H new ATOM 995 N ILE A 67 0.306 -4.424 4.950 1.00 1.00 N ATOM 996 CA ILE A 67 -0.115 -4.426 3.554 1.00 1.00 C ATOM 997 C ILE A 67 -1.609 -4.675 3.450 1.00 1.00 C ATOM 998 O ILE A 67 -2.304 -3.998 2.694 1.00 1.00 O ATOM 999 CB ILE A 67 0.638 -5.514 2.784 1.00 1.00 C ATOM 1000 CG1 ILE A 67 2.150 -5.340 2.982 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.298 -5.436 1.302 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.580 -3.923 2.576 1.00 1.00 C ATOM 0 H ILE A 67 0.979 -5.151 5.194 1.00 1.00 H new ATOM 0 HA ILE A 67 0.112 -3.451 3.123 1.00 1.00 H new ATOM 0 HB ILE A 67 0.337 -6.490 3.165 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.411 -5.522 4.025 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.689 -6.076 2.386 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.839 -6.214 0.763 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -0.774 -5.579 1.167 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.586 -4.459 0.914 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.655 -3.813 2.721 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.337 -3.756 1.527 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.054 -3.193 3.191 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.102 -5.645 4.205 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.525 -5.957 4.171 1.00 1.00 C ATOM 1016 C GLN A 68 -4.358 -4.717 4.473 1.00 1.00 C ATOM 1017 O GLN A 68 -5.338 -4.433 3.782 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.833 -7.060 5.214 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.958 -8.418 4.521 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.311 -8.513 3.821 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.468 -7.973 2.644 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.255 -9.078 4.373 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.550 -6.222 4.839 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.783 -6.309 3.172 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.041 -7.096 5.962 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.758 -6.825 5.741 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.153 -8.544 3.797 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.858 -9.221 5.251 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.130 -9.499 5.293 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.163 -9.125 3.910 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.973 -3.989 5.512 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.704 -2.792 5.897 1.00 1.00 C ATOM 1033 C GLN A 69 -4.709 -1.791 4.749 1.00 1.00 C ATOM 1034 O GLN A 69 -5.734 -1.179 4.456 1.00 1.00 O ATOM 1035 CB GLN A 69 -4.059 -2.156 7.132 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.164 -3.124 8.314 1.00 1.00 C ATOM 1037 CD GLN A 69 -3.559 -2.489 9.561 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -3.188 -1.316 9.542 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -3.433 -3.198 10.649 1.00 1.00 N ATOM 0 H GLN A 69 -3.166 -4.204 6.098 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.731 -3.070 6.134 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.014 -1.922 6.931 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.555 -1.216 7.372 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -5.208 -3.378 8.495 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.645 -4.054 8.081 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -3.741 -4.170 10.663 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -3.026 -2.780 11.486 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.559 -1.632 4.103 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.449 -0.701 2.987 1.00 1.00 C ATOM 1050 C ALA A 70 -4.334 -1.148 1.830 1.00 1.00 C ATOM 1051 O ALA A 70 -4.994 -0.329 1.191 1.00 1.00 O ATOM 1052 CB ALA A 70 -1.998 -0.625 2.514 1.00 1.00 C ATOM 0 H ALA A 70 -2.698 -2.130 4.330 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.776 0.282 3.325 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -1.923 0.073 1.680 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.366 -0.281 3.333 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.668 -1.613 2.192 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.340 -2.448 1.565 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.145 -2.991 0.478 1.00 1.00 C ATOM 1060 C ALA A 71 -6.622 -2.932 0.817 1.00 1.00 C ATOM 1061 O ALA A 71 -7.440 -2.661 -0.053 1.00 1.00 O ATOM 1062 CB ALA A 71 -4.745 -4.436 0.198 1.00 1.00 C ATOM 0 H ALA A 71 -3.801 -3.142 2.083 1.00 1.00 H new ATOM 0 HA ALA A 71 -4.965 -2.385 -0.410 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.353 -4.831 -0.616 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -3.693 -4.474 -0.084 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -4.903 -5.037 1.093 1.00 1.00 H new ATOM 1068 N ASP A 72 -6.952 -3.203 2.078 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.346 -3.198 2.522 1.00 1.00 C ATOM 1070 C ASP A 72 -8.989 -1.833 2.292 1.00 1.00 C ATOM 1071 O ASP A 72 -10.125 -1.735 1.828 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.419 -3.548 4.008 1.00 1.00 C ATOM 1073 CG ASP A 72 -9.867 -3.789 4.419 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.746 -3.369 3.683 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.076 -4.387 5.459 1.00 1.00 O ATOM 0 H ASP A 72 -6.277 -3.428 2.809 1.00 1.00 H new ATOM 0 HA ASP A 72 -8.890 -3.942 1.940 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.823 -4.438 4.210 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -7.994 -2.738 4.602 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.260 -0.784 2.625 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.766 0.572 2.445 1.00 1.00 C ATOM 1082 C VAL A 73 -8.870 0.914 0.963 1.00 1.00 C ATOM 1083 O VAL A 73 -9.829 1.554 0.531 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.844 1.575 3.142 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.305 3.002 2.831 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.894 1.344 4.655 1.00 1.00 C ATOM 0 H VAL A 73 -7.321 -0.839 3.019 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.760 0.628 2.889 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.824 1.438 2.783 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.646 3.714 3.329 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.272 3.169 1.754 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.325 3.141 3.188 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.238 2.057 5.154 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.915 1.480 5.010 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.564 0.330 4.879 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.860 0.522 0.197 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.841 0.828 -1.227 1.00 1.00 C ATOM 1098 C ILE A 74 -9.058 0.240 -1.932 1.00 1.00 C ATOM 1099 O ILE A 74 -9.801 0.958 -2.592 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.565 0.253 -1.862 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.358 1.105 -1.456 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.690 0.250 -3.393 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.063 0.348 -1.767 1.00 1.00 C ATOM 0 H ILE A 74 -7.052 -0.002 0.533 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.862 1.912 -1.341 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.429 -0.770 -1.511 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.374 2.054 -1.992 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.407 1.339 -0.393 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.780 -0.160 -3.832 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.542 -0.363 -3.687 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.837 1.270 -3.748 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.207 0.957 -1.477 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.047 -0.589 -1.211 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -4.013 0.137 -2.835 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.252 -1.064 -1.787 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.376 -1.729 -2.434 1.00 1.00 C ATOM 1117 C GLU A 75 -11.682 -1.011 -2.123 1.00 1.00 C ATOM 1118 O GLU A 75 -12.623 -1.039 -2.916 1.00 1.00 O ATOM 1119 CB GLU A 75 -10.466 -3.185 -1.965 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.573 -3.235 -0.442 1.00 1.00 C ATOM 1121 CD GLU A 75 -10.974 -4.624 0.015 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -11.302 -5.428 -0.837 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -10.951 -4.861 1.212 1.00 1.00 O ATOM 0 H GLU A 75 -8.653 -1.677 -1.234 1.00 1.00 H new ATOM 0 HA GLU A 75 -10.212 -1.704 -3.511 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.333 -3.668 -2.415 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -9.586 -3.737 -2.295 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -9.618 -2.960 0.005 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -11.307 -2.506 -0.099 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.734 -0.381 -0.957 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.934 0.329 -0.540 1.00 1.00 C ATOM 1132 C GLY A 76 -13.312 1.402 -1.553 1.00 1.00 C ATOM 1133 O GLY A 76 -14.482 1.564 -1.896 1.00 1.00 O ATOM 0 H GLY A 76 -10.965 -0.347 -0.288 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.758 -0.376 -0.427 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.770 0.786 0.436 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.310 2.133 -2.030 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.541 3.190 -3.008 1.00 1.00 C ATOM 1139 C LEU A 77 -13.022 2.604 -4.327 1.00 1.00 C ATOM 1140 O LEU A 77 -13.872 3.183 -5.001 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.254 3.990 -3.225 1.00 1.00 C ATOM 1142 CG LEU A 77 -10.841 4.656 -1.903 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.501 5.365 -2.094 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -11.905 5.679 -1.460 1.00 1.00 C ATOM 0 H LEU A 77 -11.334 2.014 -1.757 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.315 3.855 -2.625 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.459 3.333 -3.578 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.408 4.747 -3.994 1.00 1.00 H new ATOM 0 HG LEU A 77 -10.750 3.890 -1.133 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.204 5.839 -1.159 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.744 4.639 -2.389 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.598 6.124 -2.871 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.597 6.141 -0.522 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -12.012 6.447 -2.226 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -12.860 5.173 -1.318 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.470 1.456 -4.692 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.847 0.802 -5.936 1.00 1.00 C ATOM 1158 C LEU A 78 -14.325 0.446 -5.927 1.00 1.00 C ATOM 1159 O LEU A 78 -15.010 0.587 -6.938 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.005 -0.469 -6.125 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.633 -0.101 -6.711 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.785 0.381 -8.175 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -9.996 1.010 -5.860 1.00 1.00 C ATOM 0 H LEU A 78 -11.764 0.961 -4.148 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.662 1.488 -6.763 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.878 -0.978 -5.169 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.520 -1.163 -6.789 1.00 1.00 H new ATOM 0 HG LEU A 78 -9.993 -0.983 -6.699 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.805 0.638 -8.577 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -11.226 -0.414 -8.776 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.431 1.259 -8.204 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.022 1.273 -6.274 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.642 1.888 -5.866 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -9.872 0.658 -4.836 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.805 -0.015 -4.784 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.205 -0.390 -4.656 1.00 1.00 C ATOM 1177 C GLU A 79 -17.103 0.812 -4.910 1.00 1.00 C ATOM 1178 O GLU A 79 -18.208 0.670 -5.428 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.472 -0.943 -3.258 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.765 -2.289 -3.098 1.00 1.00 C ATOM 1181 CD GLU A 79 -15.949 -2.809 -1.677 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -16.583 -2.122 -0.893 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -15.452 -3.886 -1.392 1.00 1.00 O ATOM 0 H GLU A 79 -14.251 -0.138 -3.936 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.426 -1.158 -5.397 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.116 -0.241 -2.504 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.544 -1.062 -3.101 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -16.167 -3.008 -3.812 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -14.703 -2.180 -3.320 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.623 1.998 -4.537 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.392 3.222 -4.727 1.00 1.00 C ATOM 1192 C LYS A 80 -16.500 4.352 -5.218 1.00 1.00 C ATOM 1193 O LYS A 80 -16.297 5.347 -4.526 1.00 1.00 O ATOM 1194 CB LYS A 80 -18.035 3.629 -3.409 1.00 1.00 C ATOM 1195 CG LYS A 80 -19.159 4.654 -3.665 1.00 1.00 C ATOM 1196 CD LYS A 80 -20.472 3.922 -3.968 1.00 1.00 C ATOM 1197 CE LYS A 80 -21.577 4.943 -4.216 1.00 1.00 C ATOM 1198 NZ LYS A 80 -21.249 5.738 -5.433 1.00 1.00 N ATOM 0 H LYS A 80 -15.710 2.134 -4.104 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.161 3.032 -5.476 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -18.440 2.751 -2.906 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -17.284 4.058 -2.746 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -19.283 5.296 -2.793 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -18.891 5.300 -4.501 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -20.351 3.282 -4.842 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -20.741 3.275 -3.133 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -22.533 4.437 -4.345 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -21.679 5.602 -3.354 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -22.117 6.168 -5.811 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -20.571 6.487 -5.186 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -20.830 5.115 -6.152 1.00 1.00 H new ATOM 1212 N LYS A 81 -15.983 4.189 -6.415 1.00 1.00 N ATOM 1213 CA LYS A 81 -15.113 5.201 -7.012 1.00 1.00 C ATOM 1214 C LYS A 81 -15.838 6.540 -7.110 1.00 1.00 C ATOM 1215 O LYS A 81 -17.032 6.592 -7.406 1.00 1.00 O ATOM 1216 CB LYS A 81 -14.668 4.769 -8.410 1.00 1.00 C ATOM 1217 CG LYS A 81 -13.792 3.520 -8.304 1.00 1.00 C ATOM 1218 CD LYS A 81 -13.174 3.207 -9.670 1.00 1.00 C ATOM 1219 CE LYS A 81 -14.265 2.766 -10.650 1.00 1.00 C ATOM 1220 NZ LYS A 81 -13.638 2.092 -11.819 1.00 1.00 N ATOM 0 H LYS A 81 -16.144 3.370 -7.001 1.00 1.00 H new ATOM 0 HA LYS A 81 -14.238 5.310 -6.372 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -15.539 4.564 -9.033 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -14.114 5.575 -8.892 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -13.006 3.677 -7.565 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -14.388 2.674 -7.961 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -12.661 4.088 -10.057 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -12.426 2.421 -9.568 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -14.961 2.088 -10.156 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -14.842 3.629 -10.981 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -14.378 1.792 -12.485 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -12.991 2.753 -12.295 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -13.106 1.259 -11.495 1.00 1.00 H new ATOM 1234 N ALA A 82 -15.107 7.622 -6.854 1.00 1.00 N ATOM 1235 CA ALA A 82 -15.692 8.958 -6.911 1.00 1.00 C ATOM 1236 C ALA A 82 -16.951 9.028 -6.051 1.00 1.00 C ATOM 1237 O ALA A 82 -16.845 8.792 -4.858 1.00 1.00 O ATOM 1238 CB ALA A 82 -16.037 9.315 -8.356 1.00 1.00 C ATOM 1239 OXT ALA A 82 -18.002 9.317 -6.599 1.00 1.00 O ATOM 0 H ALA A 82 -14.118 7.601 -6.607 1.00 1.00 H new ATOM 0 HA ALA A 82 -14.963 9.671 -6.526 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -16.473 10.313 -8.390 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -15.131 9.294 -8.962 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -16.753 8.593 -8.748 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 8.294 11.340 6.225 1.00 1.00 O HETATM 1247 P24 PNS A 101 8.672 12.780 6.837 1.00 1.00 P HETATM 1248 O25 PNS A 101 8.940 13.705 5.713 1.00 1.00 O HETATM 1249 O26 PNS A 101 9.691 12.581 7.890 1.00 1.00 O HETATM 1250 O27 PNS A 101 7.299 13.235 7.546 1.00 1.00 O HETATM 1251 C28 PNS A 101 6.985 12.784 8.854 1.00 1.00 C HETATM 1252 C29 PNS A 101 5.479 12.935 9.097 1.00 1.00 C HETATM 1253 C30 PNS A 101 4.719 11.838 8.356 1.00 1.00 C HETATM 1254 C31 PNS A 101 5.026 14.313 8.594 1.00 1.00 C HETATM 1255 C32 PNS A 101 5.182 12.803 10.587 1.00 1.00 C HETATM 1256 O33 PNS A 101 3.777 12.802 10.768 1.00 1.00 O HETATM 1257 C34 PNS A 101 5.769 11.508 11.133 1.00 1.00 C HETATM 1258 O35 PNS A 101 6.983 11.369 11.261 1.00 1.00 O HETATM 1259 N36 PNS A 101 4.895 10.561 11.459 1.00 1.00 N HETATM 1260 C37 PNS A 101 5.335 9.276 11.992 1.00 1.00 C HETATM 1261 C38 PNS A 101 5.681 8.321 10.848 1.00 1.00 C HETATM 1262 C39 PNS A 101 5.948 6.926 11.400 1.00 1.00 C HETATM 1263 O40 PNS A 101 7.000 6.671 11.985 1.00 1.00 O HETATM 1264 N41 PNS A 101 4.988 6.026 11.212 1.00 1.00 N HETATM 1265 C42 PNS A 101 5.133 4.660 11.698 1.00 1.00 C HETATM 1266 C43 PNS A 101 3.768 3.959 11.724 1.00 1.00 C HETATM 1267 S44 PNS A 101 3.472 3.172 10.144 1.00 1.00 S HETATM 0 H432 PNS A 101 3.743 3.217 12.522 1.00 1.00 H new HETATM 0 H431 PNS A 101 2.980 4.682 11.936 1.00 1.00 H new HETATM 0 H422 PNS A 101 5.566 4.666 12.698 1.00 1.00 H new HETATM 0 H421 PNS A 101 5.821 4.109 11.056 1.00 1.00 H new HETATM 0 H382 PNS A 101 6.558 8.684 10.312 1.00 1.00 H new HETATM 0 H381 PNS A 101 4.861 8.287 10.131 1.00 1.00 H new HETATM 0 H372 PNS A 101 4.550 8.843 12.612 1.00 1.00 H new HETATM 0 H371 PNS A 101 6.205 9.418 12.633 1.00 1.00 H new HETATM 0 H313 PNS A 101 3.955 14.428 8.763 1.00 1.00 H new HETATM 0 H312 PNS A 101 5.236 14.398 7.528 1.00 1.00 H new HETATM 0 H311 PNS A 101 5.565 15.092 9.133 1.00 1.00 H new HETATM 0 H303 PNS A 101 3.650 11.952 8.534 1.00 1.00 H new HETATM 0 H302 PNS A 101 5.044 10.862 8.717 1.00 1.00 H new HETATM 0 H301 PNS A 101 4.919 11.915 7.287 1.00 1.00 H new HETATM 0 H282 PNS A 101 7.543 13.359 9.593 1.00 1.00 H new HETATM 0 H281 PNS A 101 7.281 11.742 8.972 1.00 1.00 H new HETATM 0 H41 PNS A 101 4.136 6.296 10.720 1.00 1.00 H new HETATM 0 H36 PNS A 101 3.898 10.736 11.334 1.00 1.00 H new HETATM 0 H33 PNS A 101 3.570 12.716 11.722 1.00 1.00 H new HETATM 0 H32 PNS A 101 5.632 13.638 11.123 1.00 1.00 H new HETATM 1288 C1 DKA A 102 3.457 4.224 8.761 1.00 1.00 C HETATM 1289 O1 DKA A 102 3.631 5.419 8.832 1.00 1.00 O HETATM 1290 C2 DKA A 102 3.207 3.467 7.494 1.00 1.00 C HETATM 1291 C3 DKA A 102 3.100 4.443 6.321 1.00 1.00 C HETATM 1292 C4 DKA A 102 1.778 5.232 6.424 1.00 1.00 C HETATM 1293 C5 DKA A 102 0.640 4.437 5.750 1.00 1.00 C HETATM 1294 C6 DKA A 102 0.582 4.792 4.266 1.00 1.00 C HETATM 1295 C7 DKA A 102 -0.537 3.994 3.599 1.00 1.00 C HETATM 1296 C8 DKA A 102 -0.843 4.588 2.220 1.00 1.00 C HETATM 1297 C9 DKA A 102 -2.190 4.064 1.726 1.00 1.00 C HETATM 1298 C10 DKA A 102 -2.131 2.542 1.588 1.00 1.00 C HETATM 0 H103 DKA A 102 -1.354 2.271 0.873 1.00 1.00 H new HETATM 0 H102 DKA A 102 -1.904 2.097 2.557 1.00 1.00 H new HETATM 0 H101 DKA A 102 -3.093 2.171 1.235 1.00 1.00 H new HETATM 0 H92 DKA A 102 -2.979 4.345 2.424 1.00 1.00 H new HETATM 0 H91 DKA A 102 -2.437 4.517 0.766 1.00 1.00 H new HETATM 0 H82 DKA A 102 -0.863 5.676 2.278 1.00 1.00 H new HETATM 0 H81 DKA A 102 -0.056 4.321 1.515 1.00 1.00 H new HETATM 0 H72 DKA A 102 -0.242 2.950 3.498 1.00 1.00 H new HETATM 0 H71 DKA A 102 -1.432 4.014 4.221 1.00 1.00 H new HETATM 0 H62 DKA A 102 0.406 5.861 4.143 1.00 1.00 H new HETATM 0 H61 DKA A 102 1.537 4.569 3.790 1.00 1.00 H new HETATM 0 H52 DKA A 102 0.807 3.367 5.873 1.00 1.00 H new HETATM 0 H51 DKA A 102 -0.312 4.668 6.228 1.00 1.00 H new HETATM 0 H42 DKA A 102 1.535 5.416 7.470 1.00 1.00 H new HETATM 0 H41 DKA A 102 1.887 6.205 5.946 1.00 1.00 H new HETATM 0 H32 DKA A 102 3.947 5.130 6.328 1.00 1.00 H new HETATM 0 H31 DKA A 102 3.138 3.899 5.377 1.00 1.00 H new HETATM 0 H22 DKA A 102 4.016 2.758 7.317 1.00 1.00 H new HETATM 0 H21 DKA A 102 2.288 2.887 7.581 1.00 1.00 H new