USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=18 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 16 LYS NZ :NH3+ 169:sc= 0.701 (180deg=0) USER MOD Set 1.2: A 47 ASN :FLIP amide:sc= -1.98 F(o=-17!,f=-1.3) USER MOD Set 2.1: A 2 LYS NZ :NH3+ 147:sc= 0.0223 (180deg=-0.542) USER MOD Set 2.2: A 5 THR OG1 : rot -130:sc= -0.334 USER MOD Set 3.1: A 1 ALA N :NH3+ 142:sc= 1.08 (180deg=0.31) USER MOD Set 3.2: A 68 GLN :FLIP amide:sc= -1.29 F(o=-3.9!,f=-0.21) USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= -0.0448 (180deg=-0.428) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -35:sc= -0.451 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 29 SER OG : rot -86:sc= 1.21 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 -69:sc= -0.465 USER MOD Single : A 46 MET CE :methyl 144:sc= -0.211 (180deg=-1.8!) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.269 F(o=-2.1,f=-0.27) USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= 1.11 (180deg=0.768) USER MOD Single : A 62 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.52) USER MOD Single : A 65 SER OG : rot 180:sc= -0.604 USER MOD Single : A 66 THR OG1 : rot 133:sc= -0.525 USER MOD Single : A 69 GLN : amide:sc= -0.162 K(o=-0.16,f=-1.2) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot 180:sc= -0.0915 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.465 -7.688 2.050 1.00 1.00 N ATOM 2 CA ALA A 1 -9.149 -7.733 0.595 1.00 1.00 C ATOM 3 C ALA A 1 -8.743 -9.152 0.209 1.00 1.00 C ATOM 4 O ALA A 1 -8.385 -9.963 1.065 1.00 1.00 O ATOM 5 CB ALA A 1 -8.007 -6.758 0.294 1.00 1.00 C ATOM 0 H1 ALA A 1 -9.123 -6.792 2.452 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.494 -7.757 2.184 1.00 1.00 H new ATOM 0 H3 ALA A 1 -8.999 -8.484 2.531 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.026 -7.444 0.016 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.773 -6.789 -0.770 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.309 -5.748 0.570 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.125 -7.043 0.867 1.00 1.00 H new ATOM 13 N LYS A 2 -8.798 -9.442 -1.086 1.00 1.00 N ATOM 14 CA LYS A 2 -8.432 -10.765 -1.586 1.00 1.00 C ATOM 15 C LYS A 2 -6.919 -10.854 -1.776 1.00 1.00 C ATOM 16 O LYS A 2 -6.209 -9.852 -1.688 1.00 1.00 O ATOM 17 CB LYS A 2 -9.142 -11.039 -2.927 1.00 1.00 C ATOM 18 CG LYS A 2 -9.285 -9.726 -3.731 1.00 1.00 C ATOM 19 CD LYS A 2 -10.639 -9.064 -3.433 1.00 1.00 C ATOM 20 CE LYS A 2 -10.700 -7.694 -4.110 1.00 1.00 C ATOM 21 NZ LYS A 2 -10.370 -7.839 -5.556 1.00 1.00 N ATOM 0 H LYS A 2 -9.091 -8.783 -1.807 1.00 1.00 H new ATOM 0 HA LYS A 2 -8.744 -11.513 -0.858 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.575 -11.769 -3.505 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.126 -11.472 -2.745 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.475 -9.044 -3.474 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.201 -9.934 -4.798 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -11.451 -9.695 -3.793 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.773 -8.955 -2.357 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -11.695 -7.263 -3.994 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -9.999 -7.009 -3.633 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -10.909 -7.141 -6.107 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -9.352 -7.680 -5.697 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -10.618 -8.797 -5.874 1.00 1.00 H new ATOM 35 N LYS A 3 -6.440 -12.061 -2.048 1.00 1.00 N ATOM 36 CA LYS A 3 -5.015 -12.280 -2.261 1.00 1.00 C ATOM 37 C LYS A 3 -4.550 -11.563 -3.523 1.00 1.00 C ATOM 38 O LYS A 3 -3.389 -11.166 -3.629 1.00 1.00 O ATOM 39 CB LYS A 3 -4.734 -13.785 -2.394 1.00 1.00 C ATOM 40 CG LYS A 3 -5.789 -14.448 -3.324 1.00 1.00 C ATOM 41 CD LYS A 3 -6.824 -15.225 -2.499 1.00 1.00 C ATOM 42 CE LYS A 3 -7.894 -15.796 -3.433 1.00 1.00 C ATOM 43 NZ LYS A 3 -7.268 -16.774 -4.366 1.00 1.00 N ATOM 0 H LYS A 3 -7.014 -12.900 -2.126 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.470 -11.881 -1.406 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -3.734 -13.941 -2.797 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -4.758 -14.255 -1.411 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.289 -13.683 -3.918 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -5.293 -15.122 -4.023 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.337 -16.031 -1.950 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -7.283 -14.568 -1.760 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -8.678 -16.282 -2.852 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -8.367 -14.992 -3.996 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -8.006 -17.377 -4.783 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -6.771 -16.263 -5.123 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -6.590 -17.366 -3.845 1.00 1.00 H new ATOM 57 N GLU A 4 -5.456 -11.408 -4.482 1.00 1.00 N ATOM 58 CA GLU A 4 -5.114 -10.744 -5.734 1.00 1.00 C ATOM 59 C GLU A 4 -4.777 -9.278 -5.496 1.00 1.00 C ATOM 60 O GLU A 4 -3.768 -8.782 -5.986 1.00 1.00 O ATOM 61 CB GLU A 4 -6.282 -10.849 -6.716 1.00 1.00 C ATOM 62 CG GLU A 4 -6.457 -12.304 -7.153 1.00 1.00 C ATOM 63 CD GLU A 4 -7.688 -12.434 -8.043 1.00 1.00 C ATOM 64 OE1 GLU A 4 -8.339 -11.427 -8.271 1.00 1.00 O ATOM 65 OE2 GLU A 4 -7.964 -13.538 -8.482 1.00 1.00 O ATOM 0 H GLU A 4 -6.422 -11.729 -4.418 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.238 -11.238 -6.155 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -7.197 -10.487 -6.248 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -6.097 -10.218 -7.585 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -5.571 -12.640 -7.692 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -6.561 -12.946 -6.278 1.00 1.00 H new ATOM 72 N THR A 5 -5.627 -8.595 -4.737 1.00 1.00 N ATOM 73 CA THR A 5 -5.419 -7.182 -4.434 1.00 1.00 C ATOM 74 C THR A 5 -4.119 -6.978 -3.666 1.00 1.00 C ATOM 75 O THR A 5 -3.363 -6.046 -3.937 1.00 1.00 O ATOM 76 CB THR A 5 -6.591 -6.651 -3.610 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.782 -6.735 -4.379 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.331 -5.194 -3.230 1.00 1.00 C ATOM 0 H THR A 5 -6.467 -8.996 -4.320 1.00 1.00 H new ATOM 0 HA THR A 5 -5.356 -6.635 -5.375 1.00 1.00 H new ATOM 0 HB THR A 5 -6.698 -7.247 -2.704 1.00 1.00 H new ATOM 0 HG1 THR A 5 -8.248 -5.873 -4.355 1.00 1.00 H new ATOM 0 HG21 THR A 5 -7.168 -4.816 -2.642 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.416 -5.129 -2.642 1.00 1.00 H new ATOM 0 HG23 THR A 5 -6.224 -4.596 -4.135 1.00 1.00 H new ATOM 86 N ILE A 6 -3.870 -7.855 -2.702 1.00 1.00 N ATOM 87 CA ILE A 6 -2.663 -7.766 -1.888 1.00 1.00 C ATOM 88 C ILE A 6 -1.433 -7.868 -2.781 1.00 1.00 C ATOM 89 O ILE A 6 -0.442 -7.171 -2.571 1.00 1.00 O ATOM 90 CB ILE A 6 -2.643 -8.894 -0.850 1.00 1.00 C ATOM 91 CG1 ILE A 6 -3.767 -8.670 0.168 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.297 -8.899 -0.113 1.00 1.00 C ATOM 93 CD1 ILE A 6 -3.976 -9.942 1.001 1.00 1.00 C ATOM 0 H ILE A 6 -4.485 -8.634 -2.465 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.655 -6.807 -1.369 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.785 -9.848 -1.357 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -3.517 -7.834 0.821 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.690 -8.407 -0.348 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.288 -9.703 0.623 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.490 -9.055 -0.829 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.155 -7.943 0.391 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -4.776 -9.777 1.723 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.246 -10.768 0.343 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.055 -10.186 1.530 1.00 1.00 H new ATOM 105 N ASP A 7 -1.502 -8.752 -3.771 1.00 1.00 N ATOM 106 CA ASP A 7 -0.382 -8.945 -4.678 1.00 1.00 C ATOM 107 C ASP A 7 -0.058 -7.653 -5.418 1.00 1.00 C ATOM 108 O ASP A 7 1.107 -7.301 -5.579 1.00 1.00 O ATOM 109 CB ASP A 7 -0.711 -10.040 -5.695 1.00 1.00 C ATOM 110 CG ASP A 7 -0.710 -11.404 -5.016 1.00 1.00 C ATOM 111 OD1 ASP A 7 -0.209 -11.493 -3.907 1.00 1.00 O ATOM 112 OD2 ASP A 7 -1.212 -12.341 -5.615 1.00 1.00 O ATOM 0 H ASP A 7 -2.314 -9.339 -3.963 1.00 1.00 H new ATOM 0 HA ASP A 7 0.485 -9.242 -4.087 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -1.686 -9.849 -6.143 1.00 1.00 H new ATOM 0 HB3 ASP A 7 0.020 -10.027 -6.504 1.00 1.00 H new ATOM 117 N LYS A 8 -1.091 -6.954 -5.878 1.00 1.00 N ATOM 118 CA LYS A 8 -0.882 -5.712 -6.615 1.00 1.00 C ATOM 119 C LYS A 8 -0.159 -4.683 -5.760 1.00 1.00 C ATOM 120 O LYS A 8 0.842 -4.103 -6.182 1.00 1.00 O ATOM 121 CB LYS A 8 -2.234 -5.136 -7.049 1.00 1.00 C ATOM 122 CG LYS A 8 -3.061 -6.219 -7.768 1.00 1.00 C ATOM 123 CD LYS A 8 -4.011 -5.580 -8.799 1.00 1.00 C ATOM 124 CE LYS A 8 -3.257 -5.228 -10.090 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.244 -4.954 -11.172 1.00 1.00 N ATOM 0 H LYS A 8 -2.068 -7.221 -5.756 1.00 1.00 H new ATOM 0 HA LYS A 8 -0.269 -5.936 -7.488 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.778 -4.769 -6.179 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -2.080 -4.284 -7.712 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -2.394 -6.922 -8.267 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.637 -6.789 -7.039 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -4.826 -6.268 -9.024 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.460 -4.681 -8.378 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -2.623 -4.356 -9.929 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -2.601 -6.050 -10.378 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -3.740 -4.715 -12.050 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.831 -5.798 -11.329 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.852 -4.157 -10.894 1.00 1.00 H new ATOM 139 N VAL A 9 -0.672 -4.458 -4.558 1.00 1.00 N ATOM 140 CA VAL A 9 -0.066 -3.494 -3.655 1.00 1.00 C ATOM 141 C VAL A 9 1.309 -3.978 -3.205 1.00 1.00 C ATOM 142 O VAL A 9 2.273 -3.218 -3.200 1.00 1.00 O ATOM 143 CB VAL A 9 -0.967 -3.283 -2.434 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.326 -2.265 -1.485 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.334 -2.769 -2.889 1.00 1.00 C ATOM 0 H VAL A 9 -1.500 -4.926 -4.189 1.00 1.00 H new ATOM 0 HA VAL A 9 0.051 -2.548 -4.183 1.00 1.00 H new ATOM 0 HB VAL A 9 -1.091 -4.232 -1.912 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -0.971 -2.119 -0.619 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.645 -2.635 -1.156 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.195 -1.316 -2.004 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -2.974 -2.619 -2.020 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.210 -1.823 -3.416 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.793 -3.498 -3.556 1.00 1.00 H new ATOM 155 N SER A 10 1.397 -5.249 -2.831 1.00 1.00 N ATOM 156 CA SER A 10 2.657 -5.816 -2.375 1.00 1.00 C ATOM 157 C SER A 10 3.723 -5.719 -3.460 1.00 1.00 C ATOM 158 O SER A 10 4.888 -5.442 -3.174 1.00 1.00 O ATOM 159 CB SER A 10 2.454 -7.280 -1.990 1.00 1.00 C ATOM 160 OG SER A 10 2.238 -8.046 -3.166 1.00 1.00 O ATOM 0 H SER A 10 0.614 -5.903 -2.835 1.00 1.00 H new ATOM 0 HA SER A 10 2.993 -5.249 -1.507 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.327 -7.652 -1.454 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.602 -7.377 -1.317 1.00 1.00 H new ATOM 0 HG SER A 10 1.728 -7.515 -3.813 1.00 1.00 H new ATOM 166 N ASP A 11 3.321 -5.952 -4.705 1.00 1.00 N ATOM 167 CA ASP A 11 4.258 -5.890 -5.820 1.00 1.00 C ATOM 168 C ASP A 11 4.840 -4.495 -5.952 1.00 1.00 C ATOM 169 O ASP A 11 6.038 -4.326 -6.165 1.00 1.00 O ATOM 170 CB ASP A 11 3.548 -6.266 -7.115 1.00 1.00 C ATOM 171 CG ASP A 11 4.567 -6.525 -8.218 1.00 1.00 C ATOM 172 OD1 ASP A 11 5.721 -6.754 -7.893 1.00 1.00 O ATOM 173 OD2 ASP A 11 4.181 -6.490 -9.375 1.00 1.00 O ATOM 0 H ASP A 11 2.362 -6.183 -4.966 1.00 1.00 H new ATOM 0 HA ASP A 11 5.068 -6.594 -5.628 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.937 -7.155 -6.958 1.00 1.00 H new ATOM 0 HB3 ASP A 11 2.873 -5.464 -7.414 1.00 1.00 H new ATOM 178 N ILE A 12 3.987 -3.495 -5.834 1.00 1.00 N ATOM 179 CA ILE A 12 4.435 -2.119 -5.939 1.00 1.00 C ATOM 180 C ILE A 12 5.248 -1.719 -4.711 1.00 1.00 C ATOM 181 O ILE A 12 6.271 -1.049 -4.826 1.00 1.00 O ATOM 182 CB ILE A 12 3.225 -1.195 -6.077 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.396 -1.617 -7.302 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.702 0.254 -6.244 1.00 1.00 C ATOM 185 CD1 ILE A 12 0.983 -1.051 -7.178 1.00 1.00 C ATOM 0 H ILE A 12 2.987 -3.608 -5.667 1.00 1.00 H new ATOM 0 HA ILE A 12 5.070 -2.027 -6.820 1.00 1.00 H new ATOM 0 HB ILE A 12 2.607 -1.267 -5.182 1.00 1.00 H new ATOM 0 HG12 ILE A 12 2.866 -1.254 -8.216 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.359 -2.704 -7.373 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.839 0.912 -6.342 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.285 0.548 -5.371 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.322 0.332 -7.137 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.394 -1.349 -8.045 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.515 -1.436 -6.272 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.030 0.037 -7.128 1.00 1.00 H new ATOM 197 N VAL A 13 4.769 -2.117 -3.533 1.00 1.00 N ATOM 198 CA VAL A 13 5.448 -1.761 -2.286 1.00 1.00 C ATOM 199 C VAL A 13 6.859 -2.326 -2.225 1.00 1.00 C ATOM 200 O VAL A 13 7.813 -1.603 -1.948 1.00 1.00 O ATOM 201 CB VAL A 13 4.646 -2.296 -1.092 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.447 -2.109 0.206 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.323 -1.538 -0.987 1.00 1.00 C ATOM 0 H VAL A 13 3.926 -2.678 -3.415 1.00 1.00 H new ATOM 0 HA VAL A 13 5.514 -0.674 -2.248 1.00 1.00 H new ATOM 0 HB VAL A 13 4.450 -3.358 -1.241 1.00 1.00 H new ATOM 0 HG11 VAL A 13 4.870 -2.491 1.048 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.389 -2.653 0.134 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.651 -1.049 0.358 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.753 -1.917 -0.139 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.522 -0.476 -0.844 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.749 -1.679 -1.903 1.00 1.00 H new ATOM 213 N LYS A 14 6.991 -3.615 -2.477 1.00 1.00 N ATOM 214 CA LYS A 14 8.297 -4.250 -2.433 1.00 1.00 C ATOM 215 C LYS A 14 9.197 -3.664 -3.512 1.00 1.00 C ATOM 216 O LYS A 14 10.411 -3.563 -3.336 1.00 1.00 O ATOM 217 CB LYS A 14 8.139 -5.762 -2.621 1.00 1.00 C ATOM 218 CG LYS A 14 7.714 -6.055 -4.061 1.00 1.00 C ATOM 219 CD LYS A 14 7.164 -7.478 -4.169 1.00 1.00 C ATOM 220 CE LYS A 14 8.163 -8.469 -3.572 1.00 1.00 C ATOM 221 NZ LYS A 14 7.789 -9.852 -3.981 1.00 1.00 N ATOM 0 H LYS A 14 6.219 -4.239 -2.712 1.00 1.00 H new ATOM 0 HA LYS A 14 8.759 -4.064 -1.463 1.00 1.00 H new ATOM 0 HB2 LYS A 14 9.079 -6.267 -2.398 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.395 -6.150 -1.925 1.00 1.00 H new ATOM 0 HG2 LYS A 14 6.955 -5.339 -4.377 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.565 -5.934 -4.731 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.211 -7.549 -3.645 1.00 1.00 H new ATOM 0 HD3 LYS A 14 6.973 -7.725 -5.213 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.172 -8.237 -3.914 1.00 1.00 H new ATOM 0 HE3 LYS A 14 8.168 -8.388 -2.485 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.467 -10.529 -3.576 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.833 -10.070 -3.634 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 7.806 -9.924 -5.018 1.00 1.00 H new ATOM 235 N GLU A 15 8.591 -3.277 -4.631 1.00 1.00 N ATOM 236 CA GLU A 15 9.348 -2.700 -5.732 1.00 1.00 C ATOM 237 C GLU A 15 9.841 -1.298 -5.374 1.00 1.00 C ATOM 238 O GLU A 15 10.963 -0.916 -5.705 1.00 1.00 O ATOM 239 CB GLU A 15 8.480 -2.632 -6.991 1.00 1.00 C ATOM 240 CG GLU A 15 9.352 -2.279 -8.198 1.00 1.00 C ATOM 241 CD GLU A 15 10.271 -3.449 -8.538 1.00 1.00 C ATOM 242 OE1 GLU A 15 10.100 -4.504 -7.949 1.00 1.00 O ATOM 243 OE2 GLU A 15 11.133 -3.272 -9.381 1.00 1.00 O ATOM 0 H GLU A 15 7.587 -3.352 -4.797 1.00 1.00 H new ATOM 0 HA GLU A 15 10.211 -3.338 -5.922 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.984 -3.589 -7.155 1.00 1.00 H new ATOM 0 HB3 GLU A 15 7.697 -1.885 -6.865 1.00 1.00 H new ATOM 0 HG2 GLU A 15 8.722 -2.040 -9.055 1.00 1.00 H new ATOM 0 HG3 GLU A 15 9.945 -1.391 -7.981 1.00 1.00 H new ATOM 250 N LYS A 16 8.987 -0.537 -4.707 1.00 1.00 N ATOM 251 CA LYS A 16 9.326 0.822 -4.307 1.00 1.00 C ATOM 252 C LYS A 16 10.400 0.837 -3.228 1.00 1.00 C ATOM 253 O LYS A 16 11.246 1.731 -3.190 1.00 1.00 O ATOM 254 CB LYS A 16 8.077 1.539 -3.794 1.00 1.00 C ATOM 255 CG LYS A 16 7.079 1.771 -4.964 1.00 1.00 C ATOM 256 CD LYS A 16 6.782 3.261 -5.141 1.00 1.00 C ATOM 257 CE LYS A 16 8.068 4.054 -5.443 1.00 1.00 C ATOM 258 NZ LYS A 16 7.760 5.123 -6.436 1.00 1.00 N ATOM 0 H LYS A 16 8.052 -0.837 -4.430 1.00 1.00 H new ATOM 0 HA LYS A 16 9.718 1.339 -5.183 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.602 0.946 -3.012 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.354 2.494 -3.346 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.494 1.367 -5.887 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.152 1.232 -4.769 1.00 1.00 H new ATOM 0 HD2 LYS A 16 6.068 3.398 -5.953 1.00 1.00 H new ATOM 0 HD3 LYS A 16 6.315 3.651 -4.237 1.00 1.00 H new ATOM 0 HE2 LYS A 16 8.462 4.494 -4.527 1.00 1.00 H new ATOM 0 HE3 LYS A 16 8.837 3.388 -5.834 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 8.567 5.775 -6.505 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 7.582 4.692 -7.366 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 6.916 5.648 -6.130 1.00 1.00 H new ATOM 272 N LEU A 17 10.340 -0.139 -2.331 1.00 1.00 N ATOM 273 CA LEU A 17 11.290 -0.214 -1.222 1.00 1.00 C ATOM 274 C LEU A 17 12.512 -1.047 -1.593 1.00 1.00 C ATOM 275 O LEU A 17 13.488 -1.092 -0.845 1.00 1.00 O ATOM 276 CB LEU A 17 10.596 -0.828 -0.004 1.00 1.00 C ATOM 277 CG LEU A 17 9.346 -0.013 0.351 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.636 -0.673 1.534 1.00 1.00 C ATOM 279 CD2 LEU A 17 9.734 1.429 0.722 1.00 1.00 C ATOM 0 H LEU A 17 9.648 -0.888 -2.347 1.00 1.00 H new ATOM 0 HA LEU A 17 11.630 0.795 -0.990 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.319 -1.861 -0.215 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.281 -0.848 0.844 1.00 1.00 H new ATOM 0 HG LEU A 17 8.681 0.015 -0.512 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.746 -0.098 1.791 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.346 -1.689 1.264 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.309 -0.703 2.391 1.00 1.00 H new ATOM 0 HD21 LEU A 17 8.836 1.995 0.971 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.405 1.416 1.581 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.236 1.900 -0.123 1.00 1.00 H new ATOM 291 N ALA A 18 12.456 -1.698 -2.749 1.00 1.00 N ATOM 292 CA ALA A 18 13.569 -2.524 -3.204 1.00 1.00 C ATOM 293 C ALA A 18 13.253 -3.142 -4.561 1.00 1.00 C ATOM 294 O ALA A 18 12.294 -2.754 -5.215 1.00 1.00 O ATOM 295 CB ALA A 18 13.846 -3.634 -2.187 1.00 1.00 C ATOM 0 H ALA A 18 11.659 -1.671 -3.384 1.00 1.00 H new ATOM 0 HA ALA A 18 14.452 -1.892 -3.300 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.678 -4.246 -2.534 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.099 -3.190 -1.224 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.958 -4.257 -2.078 1.00 1.00 H new ATOM 301 N LEU A 19 14.065 -4.105 -4.978 1.00 1.00 N ATOM 302 CA LEU A 19 13.850 -4.767 -6.260 1.00 1.00 C ATOM 303 C LEU A 19 12.790 -5.857 -6.121 1.00 1.00 C ATOM 304 O LEU A 19 12.163 -6.256 -7.103 1.00 1.00 O ATOM 305 CB LEU A 19 15.165 -5.381 -6.751 1.00 1.00 C ATOM 306 CG LEU A 19 16.048 -4.286 -7.358 1.00 1.00 C ATOM 307 CD1 LEU A 19 16.350 -3.221 -6.297 1.00 1.00 C ATOM 308 CD2 LEU A 19 17.356 -4.908 -7.850 1.00 1.00 C ATOM 0 H LEU A 19 14.872 -4.443 -4.453 1.00 1.00 H new ATOM 0 HA LEU A 19 13.503 -4.030 -6.984 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.684 -5.864 -5.923 1.00 1.00 H new ATOM 0 HB3 LEU A 19 14.963 -6.153 -7.494 1.00 1.00 H new ATOM 0 HG LEU A 19 15.528 -3.820 -8.195 1.00 1.00 H new ATOM 0 HD11 LEU A 19 16.978 -2.443 -6.731 1.00 1.00 H new ATOM 0 HD12 LEU A 19 15.416 -2.780 -5.948 1.00 1.00 H new ATOM 0 HD13 LEU A 19 16.871 -3.681 -5.457 1.00 1.00 H new ATOM 0 HD21 LEU A 19 17.988 -4.132 -8.283 1.00 1.00 H new ATOM 0 HD22 LEU A 19 17.875 -5.373 -7.012 1.00 1.00 H new ATOM 0 HD23 LEU A 19 17.138 -5.662 -8.606 1.00 1.00 H new ATOM 320 N GLY A 20 12.597 -6.335 -4.894 1.00 1.00 N ATOM 321 CA GLY A 20 11.613 -7.381 -4.633 1.00 1.00 C ATOM 322 C GLY A 20 12.216 -8.765 -4.856 1.00 1.00 C ATOM 323 O GLY A 20 11.505 -9.771 -4.848 1.00 1.00 O ATOM 0 H GLY A 20 13.106 -6.017 -4.069 1.00 1.00 H new ATOM 0 HA2 GLY A 20 11.252 -7.298 -3.608 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.751 -7.246 -5.286 1.00 1.00 H new ATOM 327 N ALA A 21 13.531 -8.810 -5.052 1.00 1.00 N ATOM 328 CA ALA A 21 14.224 -10.078 -5.274 1.00 1.00 C ATOM 329 C ALA A 21 14.586 -10.735 -3.944 1.00 1.00 C ATOM 330 O ALA A 21 14.127 -11.835 -3.641 1.00 1.00 O ATOM 331 CB ALA A 21 15.499 -9.839 -6.089 1.00 1.00 C ATOM 0 H ALA A 21 14.136 -7.989 -5.062 1.00 1.00 H new ATOM 0 HA ALA A 21 13.557 -10.742 -5.824 1.00 1.00 H new ATOM 0 HB1 ALA A 21 16.011 -10.788 -6.251 1.00 1.00 H new ATOM 0 HB2 ALA A 21 15.238 -9.398 -7.051 1.00 1.00 H new ATOM 0 HB3 ALA A 21 16.156 -9.160 -5.545 1.00 1.00 H new ATOM 337 N ASP A 22 15.416 -10.052 -3.157 1.00 1.00 N ATOM 338 CA ASP A 22 15.845 -10.573 -1.858 1.00 1.00 C ATOM 339 C ASP A 22 14.932 -10.068 -0.747 1.00 1.00 C ATOM 340 O ASP A 22 15.160 -10.339 0.432 1.00 1.00 O ATOM 341 CB ASP A 22 17.283 -10.135 -1.570 1.00 1.00 C ATOM 342 CG ASP A 22 18.232 -10.785 -2.571 1.00 1.00 C ATOM 343 OD1 ASP A 22 17.810 -11.714 -3.240 1.00 1.00 O ATOM 344 OD2 ASP A 22 19.367 -10.345 -2.654 1.00 1.00 O ATOM 0 H ASP A 22 15.804 -9.139 -3.394 1.00 1.00 H new ATOM 0 HA ASP A 22 15.792 -11.661 -1.891 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.362 -9.050 -1.633 1.00 1.00 H new ATOM 0 HB3 ASP A 22 17.562 -10.417 -0.555 1.00 1.00 H new ATOM 349 N VAL A 23 13.893 -9.327 -1.130 1.00 1.00 N ATOM 350 CA VAL A 23 12.941 -8.777 -0.162 1.00 1.00 C ATOM 351 C VAL A 23 11.621 -9.532 -0.232 1.00 1.00 C ATOM 352 O VAL A 23 11.087 -9.773 -1.313 1.00 1.00 O ATOM 353 CB VAL A 23 12.692 -7.297 -0.454 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.668 -6.749 0.543 1.00 1.00 C ATOM 355 CG2 VAL A 23 14.006 -6.520 -0.317 1.00 1.00 C ATOM 0 H VAL A 23 13.688 -9.093 -2.101 1.00 1.00 H new ATOM 0 HA VAL A 23 13.364 -8.884 0.837 1.00 1.00 H new ATOM 0 HB VAL A 23 12.310 -7.185 -1.469 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.488 -5.694 0.337 1.00 1.00 H new ATOM 0 HG12 VAL A 23 10.734 -7.302 0.446 1.00 1.00 H new ATOM 0 HG13 VAL A 23 12.052 -6.861 1.557 1.00 1.00 H new ATOM 0 HG21 VAL A 23 13.828 -5.465 -0.525 1.00 1.00 H new ATOM 0 HG22 VAL A 23 14.390 -6.630 0.697 1.00 1.00 H new ATOM 0 HG23 VAL A 23 14.736 -6.912 -1.026 1.00 1.00 H new ATOM 365 N VAL A 24 11.099 -9.909 0.935 1.00 1.00 N ATOM 366 CA VAL A 24 9.835 -10.647 1.013 1.00 1.00 C ATOM 367 C VAL A 24 8.814 -9.852 1.819 1.00 1.00 C ATOM 368 O VAL A 24 9.093 -9.402 2.930 1.00 1.00 O ATOM 369 CB VAL A 24 10.064 -12.006 1.681 1.00 1.00 C ATOM 370 CG1 VAL A 24 10.737 -11.811 3.044 1.00 1.00 C ATOM 371 CG2 VAL A 24 8.722 -12.716 1.874 1.00 1.00 C ATOM 0 H VAL A 24 11.530 -9.717 1.839 1.00 1.00 H new ATOM 0 HA VAL A 24 9.456 -10.800 0.003 1.00 1.00 H new ATOM 0 HB VAL A 24 10.709 -12.611 1.044 1.00 1.00 H new ATOM 0 HG11 VAL A 24 10.897 -12.782 3.513 1.00 1.00 H new ATOM 0 HG12 VAL A 24 11.696 -11.312 2.908 1.00 1.00 H new ATOM 0 HG13 VAL A 24 10.097 -11.201 3.682 1.00 1.00 H new ATOM 0 HG21 VAL A 24 8.887 -13.683 2.349 1.00 1.00 H new ATOM 0 HG22 VAL A 24 8.076 -12.107 2.506 1.00 1.00 H new ATOM 0 HG23 VAL A 24 8.246 -12.865 0.905 1.00 1.00 H new ATOM 381 N VAL A 25 7.624 -9.678 1.243 1.00 1.00 N ATOM 382 CA VAL A 25 6.547 -8.932 1.899 1.00 1.00 C ATOM 383 C VAL A 25 5.343 -9.836 2.131 1.00 1.00 C ATOM 384 O VAL A 25 5.039 -10.707 1.315 1.00 1.00 O ATOM 385 CB VAL A 25 6.136 -7.743 1.030 1.00 1.00 C ATOM 386 CG1 VAL A 25 5.801 -8.238 -0.376 1.00 1.00 C ATOM 387 CG2 VAL A 25 4.908 -7.059 1.642 1.00 1.00 C ATOM 0 H VAL A 25 7.380 -10.044 0.322 1.00 1.00 H new ATOM 0 HA VAL A 25 6.908 -8.570 2.862 1.00 1.00 H new ATOM 0 HB VAL A 25 6.956 -7.027 0.978 1.00 1.00 H new ATOM 0 HG11 VAL A 25 5.507 -7.393 -0.999 1.00 1.00 H new ATOM 0 HG12 VAL A 25 6.676 -8.722 -0.810 1.00 1.00 H new ATOM 0 HG13 VAL A 25 4.980 -8.953 -0.324 1.00 1.00 H new ATOM 0 HG21 VAL A 25 4.616 -6.212 1.021 1.00 1.00 H new ATOM 0 HG22 VAL A 25 4.084 -7.770 1.695 1.00 1.00 H new ATOM 0 HG23 VAL A 25 5.149 -6.708 2.645 1.00 1.00 H new ATOM 397 N THR A 26 4.655 -9.620 3.249 1.00 1.00 N ATOM 398 CA THR A 26 3.473 -10.412 3.594 1.00 1.00 C ATOM 399 C THR A 26 2.367 -9.507 4.132 1.00 1.00 C ATOM 400 O THR A 26 2.617 -8.374 4.541 1.00 1.00 O ATOM 401 CB THR A 26 3.840 -11.472 4.648 1.00 1.00 C ATOM 402 OG1 THR A 26 4.788 -10.925 5.552 1.00 1.00 O ATOM 403 CG2 THR A 26 4.436 -12.704 3.963 1.00 1.00 C ATOM 0 H THR A 26 4.894 -8.903 3.934 1.00 1.00 H new ATOM 0 HA THR A 26 3.112 -10.911 2.695 1.00 1.00 H new ATOM 0 HB THR A 26 2.942 -11.767 5.191 1.00 1.00 H new ATOM 0 HG1 THR A 26 5.023 -11.597 6.226 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.693 -13.450 4.715 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.706 -13.124 3.270 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.333 -12.417 3.415 1.00 1.00 H new ATOM 411 N ALA A 27 1.144 -10.025 4.129 1.00 1.00 N ATOM 412 CA ALA A 27 -0.002 -9.281 4.614 1.00 1.00 C ATOM 413 C ALA A 27 0.194 -8.909 6.083 1.00 1.00 C ATOM 414 O ALA A 27 -0.349 -7.914 6.559 1.00 1.00 O ATOM 415 CB ALA A 27 -1.258 -10.146 4.441 1.00 1.00 C ATOM 0 H ALA A 27 0.925 -10.963 3.793 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.113 -8.358 4.045 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.129 -9.599 4.802 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.392 -10.386 3.386 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -1.146 -11.068 5.012 1.00 1.00 H new ATOM 421 N ASP A 28 0.970 -9.722 6.789 1.00 1.00 N ATOM 422 CA ASP A 28 1.237 -9.481 8.206 1.00 1.00 C ATOM 423 C ASP A 28 2.434 -8.550 8.384 1.00 1.00 C ATOM 424 O ASP A 28 2.702 -8.075 9.488 1.00 1.00 O ATOM 425 CB ASP A 28 1.524 -10.805 8.913 1.00 1.00 C ATOM 426 CG ASP A 28 1.452 -10.611 10.424 1.00 1.00 C ATOM 427 OD1 ASP A 28 0.556 -9.912 10.869 1.00 1.00 O ATOM 428 OD2 ASP A 28 2.295 -11.161 11.115 1.00 1.00 O ATOM 0 H ASP A 28 1.425 -10.551 6.408 1.00 1.00 H new ATOM 0 HA ASP A 28 0.356 -9.010 8.642 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.802 -11.559 8.599 1.00 1.00 H new ATOM 0 HB3 ASP A 28 2.511 -11.172 8.631 1.00 1.00 H new ATOM 433 N SER A 29 3.151 -8.295 7.296 1.00 1.00 N ATOM 434 CA SER A 29 4.315 -7.421 7.357 1.00 1.00 C ATOM 435 C SER A 29 3.880 -5.968 7.509 1.00 1.00 C ATOM 436 O SER A 29 2.776 -5.596 7.113 1.00 1.00 O ATOM 437 CB SER A 29 5.149 -7.575 6.083 1.00 1.00 C ATOM 438 OG SER A 29 4.609 -6.740 5.066 1.00 1.00 O ATOM 0 H SER A 29 2.950 -8.676 6.371 1.00 1.00 H new ATOM 0 HA SER A 29 4.917 -7.703 8.221 1.00 1.00 H new ATOM 0 HB2 SER A 29 6.187 -7.305 6.279 1.00 1.00 H new ATOM 0 HB3 SER A 29 5.146 -8.615 5.756 1.00 1.00 H new ATOM 0 HG SER A 29 3.897 -7.219 4.593 1.00 1.00 H new ATOM 444 N GLU A 30 4.758 -5.147 8.083 1.00 1.00 N ATOM 445 CA GLU A 30 4.466 -3.726 8.289 1.00 1.00 C ATOM 446 C GLU A 30 5.275 -2.877 7.319 1.00 1.00 C ATOM 447 O GLU A 30 6.398 -3.223 6.967 1.00 1.00 O ATOM 448 CB GLU A 30 4.808 -3.328 9.726 1.00 1.00 C ATOM 449 CG GLU A 30 3.831 -4.008 10.686 1.00 1.00 C ATOM 450 CD GLU A 30 4.213 -3.700 12.129 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.150 -2.943 12.326 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.561 -4.224 13.018 1.00 1.00 O ATOM 0 H GLU A 30 5.677 -5.439 8.414 1.00 1.00 H new ATOM 0 HA GLU A 30 3.404 -3.557 8.109 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.831 -3.621 9.963 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.752 -2.245 9.839 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.816 -3.663 10.489 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.839 -5.086 10.522 1.00 1.00 H new ATOM 459 N PHE A 31 4.701 -1.762 6.890 1.00 1.00 N ATOM 460 CA PHE A 31 5.385 -0.876 5.955 1.00 1.00 C ATOM 461 C PHE A 31 6.721 -0.417 6.536 1.00 1.00 C ATOM 462 O PHE A 31 7.727 -0.363 5.830 1.00 1.00 O ATOM 463 CB PHE A 31 4.507 0.339 5.653 1.00 1.00 C ATOM 464 CG PHE A 31 3.342 -0.079 4.783 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.529 -0.256 3.406 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.075 -0.283 5.346 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.453 -0.636 2.600 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.002 -0.664 4.535 1.00 1.00 C ATOM 469 CZ PHE A 31 1.191 -0.839 3.163 1.00 1.00 C ATOM 0 H PHE A 31 3.771 -1.450 7.171 1.00 1.00 H new ATOM 0 HA PHE A 31 5.574 -1.423 5.031 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.141 0.776 6.582 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.093 1.107 5.149 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.504 -0.099 2.968 1.00 1.00 H new ATOM 0 HD2 PHE A 31 1.927 -0.146 6.407 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.597 -0.773 1.539 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.026 -0.823 4.970 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.361 -1.131 2.537 1.00 1.00 H new ATOM 479 N SER A 32 6.722 -0.093 7.822 1.00 1.00 N ATOM 480 CA SER A 32 7.942 0.353 8.489 1.00 1.00 C ATOM 481 C SER A 32 9.005 -0.745 8.460 1.00 1.00 C ATOM 482 O SER A 32 10.187 -0.473 8.252 1.00 1.00 O ATOM 483 CB SER A 32 7.635 0.734 9.936 1.00 1.00 C ATOM 484 OG SER A 32 8.824 1.204 10.558 1.00 1.00 O ATOM 0 H SER A 32 5.898 -0.129 8.423 1.00 1.00 H new ATOM 0 HA SER A 32 8.326 1.224 7.958 1.00 1.00 H new ATOM 0 HB2 SER A 32 6.865 1.505 9.966 1.00 1.00 H new ATOM 0 HB3 SER A 32 7.244 -0.128 10.476 1.00 1.00 H new ATOM 0 HG SER A 32 8.632 1.451 11.487 1.00 1.00 H new ATOM 490 N LYS A 33 8.570 -1.983 8.674 1.00 1.00 N ATOM 491 CA LYS A 33 9.483 -3.124 8.675 1.00 1.00 C ATOM 492 C LYS A 33 10.186 -3.260 7.329 1.00 1.00 C ATOM 493 O LYS A 33 11.360 -3.622 7.264 1.00 1.00 O ATOM 494 CB LYS A 33 8.703 -4.413 8.986 1.00 1.00 C ATOM 495 CG LYS A 33 8.429 -4.513 10.501 1.00 1.00 C ATOM 496 CD LYS A 33 9.615 -5.204 11.206 1.00 1.00 C ATOM 497 CE LYS A 33 9.422 -6.725 11.193 1.00 1.00 C ATOM 498 NZ LYS A 33 10.635 -7.385 11.755 1.00 1.00 N ATOM 0 H LYS A 33 7.594 -2.223 8.849 1.00 1.00 H new ATOM 0 HA LYS A 33 10.239 -2.959 9.443 1.00 1.00 H new ATOM 0 HB2 LYS A 33 7.761 -4.419 8.437 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.272 -5.281 8.653 1.00 1.00 H new ATOM 0 HG2 LYS A 33 8.277 -3.518 10.918 1.00 1.00 H new ATOM 0 HG3 LYS A 33 7.512 -5.076 10.677 1.00 1.00 H new ATOM 0 HD2 LYS A 33 10.548 -4.944 10.705 1.00 1.00 H new ATOM 0 HD3 LYS A 33 9.695 -4.848 12.233 1.00 1.00 H new ATOM 0 HE2 LYS A 33 8.543 -6.996 11.779 1.00 1.00 H new ATOM 0 HE3 LYS A 33 9.245 -7.071 10.175 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 10.504 -8.417 11.746 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 11.464 -7.136 11.179 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 10.784 -7.063 12.733 1.00 1.00 H new ATOM 512 N LEU A 34 9.460 -2.976 6.258 1.00 1.00 N ATOM 513 CA LEU A 34 10.024 -3.081 4.921 1.00 1.00 C ATOM 514 C LEU A 34 11.013 -1.946 4.667 1.00 1.00 C ATOM 515 O LEU A 34 11.678 -1.910 3.632 1.00 1.00 O ATOM 516 CB LEU A 34 8.901 -3.036 3.886 1.00 1.00 C ATOM 517 CG LEU A 34 7.911 -4.181 4.133 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.779 -4.093 3.107 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.623 -5.542 4.018 1.00 1.00 C ATOM 0 H LEU A 34 8.486 -2.673 6.288 1.00 1.00 H new ATOM 0 HA LEU A 34 10.556 -4.028 4.837 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.383 -2.079 3.941 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.318 -3.115 2.882 1.00 1.00 H new ATOM 0 HG LEU A 34 7.502 -4.093 5.140 1.00 1.00 H new ATOM 0 HD11 LEU A 34 6.071 -4.904 3.276 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.267 -3.136 3.211 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.192 -4.176 2.102 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.906 -6.344 4.196 1.00 1.00 H new ATOM 0 HD22 LEU A 34 9.046 -5.648 3.019 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.422 -5.598 4.758 1.00 1.00 H new ATOM 531 N GLY A 35 11.111 -1.028 5.624 1.00 1.00 N ATOM 532 CA GLY A 35 12.032 0.104 5.509 1.00 1.00 C ATOM 533 C GLY A 35 11.337 1.324 4.918 1.00 1.00 C ATOM 534 O GLY A 35 11.992 2.266 4.470 1.00 1.00 O ATOM 0 H GLY A 35 10.567 -1.043 6.486 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.432 0.351 6.492 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.878 -0.175 4.881 1.00 1.00 H new ATOM 538 N ALA A 36 10.009 1.306 4.925 1.00 1.00 N ATOM 539 CA ALA A 36 9.245 2.421 4.390 1.00 1.00 C ATOM 540 C ALA A 36 9.318 3.618 5.334 1.00 1.00 C ATOM 541 O ALA A 36 8.715 3.615 6.406 1.00 1.00 O ATOM 542 CB ALA A 36 7.784 2.006 4.203 1.00 1.00 C ATOM 0 H ALA A 36 9.446 0.539 5.292 1.00 1.00 H new ATOM 0 HA ALA A 36 9.670 2.704 3.427 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.216 2.845 3.802 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.730 1.167 3.510 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.364 1.710 5.164 1.00 1.00 H new ATOM 548 N ASP A 37 10.057 4.645 4.919 1.00 1.00 N ATOM 549 CA ASP A 37 10.207 5.862 5.719 1.00 1.00 C ATOM 550 C ASP A 37 9.256 6.941 5.231 1.00 1.00 C ATOM 551 O ASP A 37 8.397 6.693 4.385 1.00 1.00 O ATOM 552 CB ASP A 37 11.645 6.373 5.640 1.00 1.00 C ATOM 553 CG ASP A 37 12.062 6.562 4.186 1.00 1.00 C ATOM 554 OD1 ASP A 37 11.184 6.627 3.344 1.00 1.00 O ATOM 555 OD2 ASP A 37 13.253 6.647 3.938 1.00 1.00 O ATOM 0 H ASP A 37 10.562 4.660 4.033 1.00 1.00 H new ATOM 0 HA ASP A 37 9.968 5.621 6.755 1.00 1.00 H new ATOM 0 HB2 ASP A 37 11.732 7.318 6.176 1.00 1.00 H new ATOM 0 HB3 ASP A 37 12.316 5.667 6.129 1.00 1.00 H new ATOM 560 N SER A 38 9.416 8.137 5.775 1.00 1.00 N ATOM 561 CA SER A 38 8.564 9.260 5.397 1.00 1.00 C ATOM 562 C SER A 38 8.682 9.539 3.900 1.00 1.00 C ATOM 563 O SER A 38 7.681 9.748 3.214 1.00 1.00 O ATOM 564 CB SER A 38 8.975 10.502 6.189 1.00 1.00 C ATOM 0 H SER A 38 10.123 8.357 6.476 1.00 1.00 H new ATOM 0 HA SER A 38 7.528 9.009 5.624 1.00 1.00 H new ATOM 569 N LEU A 39 9.911 9.538 3.404 1.00 1.00 N ATOM 570 CA LEU A 39 10.163 9.790 1.992 1.00 1.00 C ATOM 571 C LEU A 39 9.609 8.656 1.133 1.00 1.00 C ATOM 572 O LEU A 39 9.187 8.875 -0.002 1.00 1.00 O ATOM 573 CB LEU A 39 11.667 9.937 1.747 1.00 1.00 C ATOM 574 CG LEU A 39 12.254 10.970 2.717 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.767 11.066 2.499 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.610 12.344 2.474 1.00 1.00 C ATOM 0 H LEU A 39 10.750 9.365 3.958 1.00 1.00 H new ATOM 0 HA LEU A 39 9.659 10.715 1.713 1.00 1.00 H new ATOM 0 HB2 LEU A 39 12.162 8.975 1.882 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.848 10.247 0.718 1.00 1.00 H new ATOM 0 HG LEU A 39 12.050 10.659 3.741 1.00 1.00 H new ATOM 0 HD11 LEU A 39 14.188 11.799 3.187 1.00 1.00 H new ATOM 0 HD12 LEU A 39 14.223 10.093 2.682 1.00 1.00 H new ATOM 0 HD13 LEU A 39 13.968 11.374 1.473 1.00 1.00 H new ATOM 0 HD21 LEU A 39 12.033 13.072 3.167 1.00 1.00 H new ATOM 0 HD22 LEU A 39 11.806 12.662 1.450 1.00 1.00 H new ATOM 0 HD23 LEU A 39 10.534 12.275 2.632 1.00 1.00 H new ATOM 588 N ASP A 40 9.634 7.440 1.671 1.00 1.00 N ATOM 589 CA ASP A 40 9.138 6.281 0.942 1.00 1.00 C ATOM 590 C ASP A 40 7.630 6.146 1.100 1.00 1.00 C ATOM 591 O ASP A 40 6.900 6.052 0.121 1.00 1.00 O ATOM 592 CB ASP A 40 9.823 5.017 1.458 1.00 1.00 C ATOM 593 CG ASP A 40 11.296 5.035 1.063 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.639 5.791 0.169 1.00 1.00 O ATOM 595 OD2 ASP A 40 12.059 4.293 1.659 1.00 1.00 O ATOM 0 H ASP A 40 9.991 7.234 2.604 1.00 1.00 H new ATOM 0 HA ASP A 40 9.364 6.416 -0.116 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.728 4.956 2.542 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.336 4.133 1.045 1.00 1.00 H new ATOM 600 N THR A 41 7.178 6.136 2.349 1.00 1.00 N ATOM 601 CA THR A 41 5.757 5.984 2.647 1.00 1.00 C ATOM 602 C THR A 41 4.901 6.875 1.758 1.00 1.00 C ATOM 603 O THR A 41 3.854 6.455 1.268 1.00 1.00 O ATOM 604 CB THR A 41 5.508 6.355 4.111 1.00 1.00 C ATOM 605 OG1 THR A 41 6.209 7.549 4.416 1.00 1.00 O ATOM 606 CG2 THR A 41 5.982 5.229 5.033 1.00 1.00 C ATOM 0 H THR A 41 7.774 6.231 3.171 1.00 1.00 H new ATOM 0 HA THR A 41 5.480 4.946 2.460 1.00 1.00 H new ATOM 0 HB THR A 41 4.439 6.505 4.265 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.173 7.372 4.413 1.00 1.00 H new ATOM 0 HG21 THR A 41 5.799 5.507 6.071 1.00 1.00 H new ATOM 0 HG22 THR A 41 5.437 4.314 4.800 1.00 1.00 H new ATOM 0 HG23 THR A 41 7.049 5.063 4.885 1.00 1.00 H new ATOM 614 N VAL A 42 5.350 8.097 1.548 1.00 1.00 N ATOM 615 CA VAL A 42 4.611 9.031 0.708 1.00 1.00 C ATOM 616 C VAL A 42 4.591 8.533 -0.732 1.00 1.00 C ATOM 617 O VAL A 42 3.600 8.695 -1.444 1.00 1.00 O ATOM 618 CB VAL A 42 5.242 10.423 0.779 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.702 10.339 0.348 1.00 1.00 C ATOM 620 CG2 VAL A 42 4.490 11.375 -0.154 1.00 1.00 C ATOM 0 H VAL A 42 6.215 8.468 1.942 1.00 1.00 H new ATOM 0 HA VAL A 42 3.586 9.096 1.072 1.00 1.00 H new ATOM 0 HB VAL A 42 5.183 10.796 1.801 1.00 1.00 H new ATOM 0 HG11 VAL A 42 7.154 11.330 0.398 1.00 1.00 H new ATOM 0 HG12 VAL A 42 7.239 9.662 1.012 1.00 1.00 H new ATOM 0 HG13 VAL A 42 6.759 9.965 -0.674 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.940 12.366 -0.102 1.00 1.00 H new ATOM 0 HG22 VAL A 42 4.548 11.003 -1.177 1.00 1.00 H new ATOM 0 HG23 VAL A 42 3.446 11.435 0.152 1.00 1.00 H new ATOM 630 N GLU A 43 5.690 7.915 -1.155 1.00 1.00 N ATOM 631 CA GLU A 43 5.780 7.383 -2.506 1.00 1.00 C ATOM 632 C GLU A 43 4.877 6.166 -2.669 1.00 1.00 C ATOM 633 O GLU A 43 4.275 5.966 -3.723 1.00 1.00 O ATOM 634 CB GLU A 43 7.224 6.998 -2.833 1.00 1.00 C ATOM 635 CG GLU A 43 8.073 8.260 -2.982 1.00 1.00 C ATOM 636 CD GLU A 43 9.521 7.883 -3.275 1.00 1.00 C ATOM 637 OE1 GLU A 43 9.803 6.698 -3.346 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.327 8.787 -3.428 1.00 1.00 O ATOM 0 H GLU A 43 6.524 7.772 -0.585 1.00 1.00 H new ATOM 0 HA GLU A 43 5.451 8.160 -3.196 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.630 6.366 -2.043 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.256 6.416 -3.754 1.00 1.00 H new ATOM 0 HG2 GLU A 43 7.680 8.880 -3.788 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.021 8.853 -2.069 1.00 1.00 H new ATOM 645 N ILE A 44 4.795 5.347 -1.625 1.00 1.00 N ATOM 646 CA ILE A 44 3.971 4.145 -1.680 1.00 1.00 C ATOM 647 C ILE A 44 2.507 4.499 -1.924 1.00 1.00 C ATOM 648 O ILE A 44 1.870 3.956 -2.826 1.00 1.00 O ATOM 649 CB ILE A 44 4.078 3.386 -0.355 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.549 3.085 -0.026 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.302 2.082 -0.446 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.226 2.334 -1.171 1.00 1.00 C ATOM 0 H ILE A 44 5.283 5.491 -0.741 1.00 1.00 H new ATOM 0 HA ILE A 44 4.330 3.525 -2.502 1.00 1.00 H new ATOM 0 HB ILE A 44 3.659 4.007 0.437 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.080 4.017 0.166 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.607 2.492 0.887 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.381 1.545 0.499 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.254 2.296 -0.655 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.714 1.469 -1.247 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.266 2.134 -0.911 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.708 1.391 -1.344 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.189 2.940 -2.076 1.00 1.00 H new ATOM 664 N VAL A 45 1.977 5.412 -1.118 1.00 1.00 N ATOM 665 CA VAL A 45 0.586 5.825 -1.263 1.00 1.00 C ATOM 666 C VAL A 45 0.387 6.600 -2.559 1.00 1.00 C ATOM 667 O VAL A 45 -0.586 6.390 -3.277 1.00 1.00 O ATOM 668 CB VAL A 45 0.165 6.691 -0.073 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.098 7.895 0.043 1.00 1.00 C ATOM 670 CG2 VAL A 45 -1.272 7.180 -0.282 1.00 1.00 C ATOM 0 H VAL A 45 2.484 5.877 -0.364 1.00 1.00 H new ATOM 0 HA VAL A 45 -0.034 4.929 -1.292 1.00 1.00 H new ATOM 0 HB VAL A 45 0.222 6.100 0.841 1.00 1.00 H new ATOM 0 HG11 VAL A 45 0.795 8.509 0.891 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.121 7.550 0.192 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.044 8.486 -0.871 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -1.573 7.797 0.565 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -1.326 7.769 -1.198 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -1.940 6.322 -0.362 1.00 1.00 H new ATOM 680 N MET A 46 1.315 7.505 -2.852 1.00 1.00 N ATOM 681 CA MET A 46 1.217 8.314 -4.060 1.00 1.00 C ATOM 682 C MET A 46 1.197 7.432 -5.303 1.00 1.00 C ATOM 683 O MET A 46 0.380 7.632 -6.202 1.00 1.00 O ATOM 684 CB MET A 46 2.397 9.282 -4.127 1.00 1.00 C ATOM 685 CG MET A 46 2.256 10.171 -5.362 1.00 1.00 C ATOM 686 SD MET A 46 3.548 11.438 -5.336 1.00 1.00 S ATOM 687 CE MET A 46 4.965 10.322 -5.476 1.00 1.00 C ATOM 0 H MET A 46 2.135 7.695 -2.276 1.00 1.00 H new ATOM 0 HA MET A 46 0.285 8.878 -4.026 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.430 9.895 -3.226 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.334 8.727 -4.170 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.337 9.570 -6.268 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.272 10.639 -5.377 1.00 1.00 H new ATOM 0 HE1 MET A 46 5.738 10.790 -6.086 1.00 1.00 H new ATOM 0 HE2 MET A 46 5.363 10.113 -4.483 1.00 1.00 H new ATOM 0 HE3 MET A 46 4.649 9.389 -5.944 1.00 1.00 H new ATOM 697 N ASN A 47 2.094 6.457 -5.351 1.00 1.00 N ATOM 698 CA ASN A 47 2.161 5.553 -6.493 1.00 1.00 C ATOM 699 C ASN A 47 0.891 4.712 -6.598 1.00 1.00 C ATOM 700 O ASN A 47 0.361 4.505 -7.690 1.00 1.00 O ATOM 701 CB ASN A 47 3.382 4.638 -6.355 1.00 1.00 C ATOM 702 CG ASN A 47 4.648 5.393 -6.749 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.465 5.806 -5.822 1.00 1.00 O flip ATOM 704 ND2 ASN A 47 4.894 5.614 -7.935 1.00 1.00 N flip ATOM 0 H ASN A 47 2.780 6.272 -4.620 1.00 1.00 H new ATOM 0 HA ASN A 47 2.252 6.149 -7.401 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.466 4.282 -5.328 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.261 3.759 -6.988 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.252 5.289 -8.658 1.00 1.00 H new ATOM 0 HD22 ASN A 47 5.740 6.122 -8.194 1.00 1.00 H new ATOM 711 N LEU A 48 0.411 4.222 -5.458 1.00 1.00 N ATOM 712 CA LEU A 48 -0.791 3.399 -5.438 1.00 1.00 C ATOM 713 C LEU A 48 -2.005 4.199 -5.893 1.00 1.00 C ATOM 714 O LEU A 48 -2.830 3.707 -6.660 1.00 1.00 O ATOM 715 CB LEU A 48 -1.028 2.851 -4.024 1.00 1.00 C ATOM 716 CG LEU A 48 0.046 1.810 -3.666 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.108 1.648 -2.144 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.307 0.452 -4.277 1.00 1.00 C ATOM 0 H LEU A 48 0.834 4.380 -4.543 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.648 2.568 -6.128 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.007 3.668 -3.302 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.017 2.398 -3.964 1.00 1.00 H new ATOM 0 HG LEU A 48 1.005 2.151 -4.056 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.869 0.911 -1.887 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.361 2.604 -1.686 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.861 1.314 -1.774 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.462 -0.275 -4.016 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.270 0.118 -3.890 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.365 0.545 -5.361 1.00 1.00 H new ATOM 730 N GLU A 49 -2.110 5.433 -5.425 1.00 1.00 N ATOM 731 CA GLU A 49 -3.234 6.276 -5.805 1.00 1.00 C ATOM 732 C GLU A 49 -3.296 6.425 -7.318 1.00 1.00 C ATOM 733 O GLU A 49 -4.373 6.413 -7.912 1.00 1.00 O ATOM 734 CB GLU A 49 -3.099 7.653 -5.146 1.00 1.00 C ATOM 735 CG GLU A 49 -3.442 7.548 -3.657 1.00 1.00 C ATOM 736 CD GLU A 49 -3.137 8.867 -2.958 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.693 9.782 -3.631 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.348 8.942 -1.759 1.00 1.00 O ATOM 0 H GLU A 49 -1.441 5.869 -4.790 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.157 5.806 -5.464 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.083 8.028 -5.270 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.764 8.367 -5.633 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.496 7.297 -3.535 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.868 6.743 -3.199 1.00 1.00 H new ATOM 745 N GLU A 50 -2.133 6.559 -7.931 1.00 1.00 N ATOM 746 CA GLU A 50 -2.052 6.702 -9.381 1.00 1.00 C ATOM 747 C GLU A 50 -2.369 5.380 -10.080 1.00 1.00 C ATOM 748 O GLU A 50 -2.992 5.367 -11.142 1.00 1.00 O ATOM 749 CB GLU A 50 -0.656 7.177 -9.792 1.00 1.00 C ATOM 750 CG GLU A 50 -0.622 7.422 -11.304 1.00 1.00 C ATOM 751 CD GLU A 50 0.740 7.972 -11.714 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.477 8.390 -10.836 1.00 1.00 O ATOM 753 OE2 GLU A 50 1.024 7.971 -12.900 1.00 1.00 O ATOM 0 H GLU A 50 -1.232 6.572 -7.453 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.790 7.444 -9.686 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.401 8.093 -9.259 1.00 1.00 H new ATOM 0 HB3 GLU A 50 0.089 6.430 -9.517 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.823 6.492 -11.836 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.406 8.125 -11.584 1.00 1.00 H new ATOM 760 N GLU A 51 -1.926 4.270 -9.490 1.00 1.00 N ATOM 761 CA GLU A 51 -2.162 2.963 -10.087 1.00 1.00 C ATOM 762 C GLU A 51 -3.649 2.630 -10.095 1.00 1.00 C ATOM 763 O GLU A 51 -4.176 2.129 -11.089 1.00 1.00 O ATOM 764 CB GLU A 51 -1.398 1.891 -9.304 1.00 1.00 C ATOM 765 CG GLU A 51 -1.298 0.605 -10.131 1.00 1.00 C ATOM 766 CD GLU A 51 -2.668 -0.056 -10.237 1.00 1.00 C ATOM 767 OE1 GLU A 51 -3.437 0.063 -9.297 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.931 -0.668 -11.259 1.00 1.00 O ATOM 0 H GLU A 51 -1.409 4.252 -8.611 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.808 2.986 -11.118 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.400 2.252 -9.057 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.906 1.688 -8.361 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -0.917 0.832 -11.127 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -0.589 -0.081 -9.667 1.00 1.00 H new ATOM 775 N PHE A 52 -4.322 2.906 -8.982 1.00 1.00 N ATOM 776 CA PHE A 52 -5.754 2.628 -8.868 1.00 1.00 C ATOM 777 C PHE A 52 -6.571 3.882 -9.162 1.00 1.00 C ATOM 778 O PHE A 52 -7.801 3.847 -9.161 1.00 1.00 O ATOM 779 CB PHE A 52 -6.066 2.116 -7.461 1.00 1.00 C ATOM 780 CG PHE A 52 -5.381 0.787 -7.243 1.00 1.00 C ATOM 781 CD1 PHE A 52 -5.952 -0.389 -7.747 1.00 1.00 C ATOM 782 CD2 PHE A 52 -4.170 0.729 -6.538 1.00 1.00 C ATOM 783 CE1 PHE A 52 -5.315 -1.618 -7.545 1.00 1.00 C ATOM 784 CE2 PHE A 52 -3.534 -0.502 -6.337 1.00 1.00 C ATOM 785 CZ PHE A 52 -4.108 -1.675 -6.839 1.00 1.00 C ATOM 0 H PHE A 52 -3.903 3.320 -8.149 1.00 1.00 H new ATOM 0 HA PHE A 52 -6.023 1.865 -9.599 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.728 2.837 -6.717 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.143 2.007 -7.333 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -6.884 -0.347 -8.291 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -3.728 1.635 -6.150 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -5.755 -2.524 -7.934 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -2.601 -0.546 -5.795 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.619 -2.625 -6.682 1.00 1.00 H new ATOM 795 N GLY A 53 -5.878 4.984 -9.427 1.00 1.00 N ATOM 796 CA GLY A 53 -6.550 6.241 -9.738 1.00 1.00 C ATOM 797 C GLY A 53 -7.552 6.615 -8.654 1.00 1.00 C ATOM 798 O GLY A 53 -8.715 6.894 -8.941 1.00 1.00 O ATOM 0 H GLY A 53 -4.859 5.033 -9.433 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.811 7.035 -9.843 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.063 6.155 -10.696 1.00 1.00 H new ATOM 802 N ILE A 54 -7.092 6.619 -7.404 1.00 1.00 N ATOM 803 CA ILE A 54 -7.950 6.962 -6.265 1.00 1.00 C ATOM 804 C ILE A 54 -7.342 8.105 -5.459 1.00 1.00 C ATOM 805 O ILE A 54 -6.131 8.325 -5.489 1.00 1.00 O ATOM 806 CB ILE A 54 -8.134 5.736 -5.364 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.765 5.234 -4.890 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.836 4.627 -6.150 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.951 4.156 -3.821 1.00 1.00 C ATOM 0 H ILE A 54 -6.131 6.389 -7.152 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.920 7.281 -6.647 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.738 6.011 -4.500 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.204 4.831 -5.733 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.183 6.063 -4.487 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.967 3.755 -5.510 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.811 4.980 -6.486 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.231 4.355 -7.015 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.975 3.802 -3.487 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.495 4.574 -2.974 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.515 3.323 -4.239 1.00 1.00 H new ATOM 821 N ASN A 55 -8.191 8.832 -4.734 1.00 1.00 N ATOM 822 CA ASN A 55 -7.739 9.959 -3.911 1.00 1.00 C ATOM 823 C ASN A 55 -8.079 9.716 -2.445 1.00 1.00 C ATOM 824 O ASN A 55 -9.243 9.534 -2.089 1.00 1.00 O ATOM 825 CB ASN A 55 -8.413 11.247 -4.385 1.00 1.00 C ATOM 826 CG ASN A 55 -9.929 11.075 -4.377 1.00 1.00 C ATOM 827 OD1 ASN A 55 -10.492 10.293 -5.257 1.00 1.00 O flip ATOM 828 ND2 ASN A 55 -10.617 11.666 -3.546 1.00 1.00 N flip ATOM 0 H ASN A 55 -9.196 8.663 -4.698 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.658 10.054 -4.012 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -8.129 12.076 -3.736 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.072 11.497 -5.390 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.175 12.277 -2.859 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -11.630 11.545 -3.544 1.00 1.00 H new ATOM 835 N VAL A 56 -7.052 9.713 -1.595 1.00 1.00 N ATOM 836 CA VAL A 56 -7.246 9.491 -0.162 1.00 1.00 C ATOM 837 C VAL A 56 -6.306 10.383 0.642 1.00 1.00 C ATOM 838 O VAL A 56 -5.155 10.591 0.260 1.00 1.00 O ATOM 839 CB VAL A 56 -6.980 8.022 0.182 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.605 7.612 -0.347 1.00 1.00 C ATOM 841 CG2 VAL A 56 -7.024 7.832 1.703 1.00 1.00 C ATOM 0 H VAL A 56 -6.082 9.861 -1.872 1.00 1.00 H new ATOM 0 HA VAL A 56 -8.276 9.739 0.092 1.00 1.00 H new ATOM 0 HB VAL A 56 -7.745 7.399 -0.281 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -5.418 6.567 -0.101 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -5.578 7.741 -1.429 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -4.838 8.236 0.112 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.834 6.786 1.945 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -6.262 8.456 2.170 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -8.007 8.118 2.077 1.00 1.00 H new ATOM 851 N ASP A 57 -6.806 10.907 1.754 1.00 1.00 N ATOM 852 CA ASP A 57 -6.005 11.776 2.608 1.00 1.00 C ATOM 853 C ASP A 57 -4.975 10.956 3.382 1.00 1.00 C ATOM 854 O ASP A 57 -5.213 9.793 3.710 1.00 1.00 O ATOM 855 CB ASP A 57 -6.910 12.520 3.587 1.00 1.00 C ATOM 856 CG ASP A 57 -7.884 13.411 2.825 1.00 1.00 C ATOM 857 OD1 ASP A 57 -7.543 13.830 1.730 1.00 1.00 O ATOM 858 OD2 ASP A 57 -8.958 13.661 3.347 1.00 1.00 O ATOM 0 H ASP A 57 -7.757 10.747 2.085 1.00 1.00 H new ATOM 0 HA ASP A 57 -5.482 12.497 1.980 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -7.461 11.806 4.200 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -6.307 13.124 4.265 1.00 1.00 H new ATOM 863 N GLU A 58 -3.828 11.566 3.664 1.00 1.00 N ATOM 864 CA GLU A 58 -2.767 10.880 4.395 1.00 1.00 C ATOM 865 C GLU A 58 -3.198 10.594 5.832 1.00 1.00 C ATOM 866 O GLU A 58 -2.832 9.566 6.405 1.00 1.00 O ATOM 867 CB GLU A 58 -1.499 11.739 4.399 1.00 1.00 C ATOM 868 CG GLU A 58 -0.327 10.934 4.971 1.00 1.00 C ATOM 869 CD GLU A 58 0.046 9.806 4.014 1.00 1.00 C ATOM 870 OE1 GLU A 58 -0.295 9.909 2.847 1.00 1.00 O ATOM 871 OE2 GLU A 58 0.664 8.855 4.462 1.00 1.00 O ATOM 0 H GLU A 58 -3.610 12.527 3.400 1.00 1.00 H new ATOM 0 HA GLU A 58 -2.563 9.932 3.897 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -1.267 12.066 3.385 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -1.660 12.638 4.995 1.00 1.00 H new ATOM 0 HG2 GLU A 58 0.531 11.587 5.129 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -0.598 10.523 5.943 1.00 1.00 H new ATOM 878 N ASP A 59 -3.968 11.509 6.412 1.00 1.00 N ATOM 879 CA ASP A 59 -4.432 11.343 7.785 1.00 1.00 C ATOM 880 C ASP A 59 -5.312 10.103 7.912 1.00 1.00 C ATOM 881 O ASP A 59 -5.245 9.378 8.906 1.00 1.00 O ATOM 882 CB ASP A 59 -5.209 12.586 8.228 1.00 1.00 C ATOM 883 CG ASP A 59 -6.287 12.931 7.207 1.00 1.00 C ATOM 884 OD1 ASP A 59 -6.510 12.132 6.318 1.00 1.00 O ATOM 885 OD2 ASP A 59 -6.874 13.994 7.331 1.00 1.00 O ATOM 0 H ASP A 59 -4.282 12.366 5.957 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.563 11.215 8.430 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -5.665 12.410 9.202 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -4.526 13.428 8.344 1.00 1.00 H new ATOM 890 N LYS A 60 -6.134 9.862 6.900 1.00 1.00 N ATOM 891 CA LYS A 60 -7.018 8.705 6.896 1.00 1.00 C ATOM 892 C LYS A 60 -6.217 7.412 6.810 1.00 1.00 C ATOM 893 O LYS A 60 -6.549 6.419 7.457 1.00 1.00 O ATOM 894 CB LYS A 60 -7.990 8.793 5.723 1.00 1.00 C ATOM 895 CG LYS A 60 -8.989 9.922 5.980 1.00 1.00 C ATOM 896 CD LYS A 60 -9.958 10.016 4.805 1.00 1.00 C ATOM 897 CE LYS A 60 -11.020 11.077 5.099 1.00 1.00 C ATOM 898 NZ LYS A 60 -10.371 12.411 5.233 1.00 1.00 N ATOM 0 H LYS A 60 -6.207 10.452 6.071 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.581 8.701 7.829 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.445 8.977 4.797 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.517 7.847 5.600 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.537 9.735 6.904 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.462 10.867 6.108 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -9.417 10.271 3.894 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.432 9.050 4.634 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.758 11.099 4.297 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.554 10.827 6.016 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -11.087 13.158 5.127 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -9.926 12.488 6.170 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -9.646 12.520 4.495 1.00 1.00 H new ATOM 912 N ALA A 61 -5.170 7.429 5.993 1.00 1.00 N ATOM 913 CA ALA A 61 -4.339 6.247 5.816 1.00 1.00 C ATOM 914 C ALA A 61 -3.464 5.999 7.044 1.00 1.00 C ATOM 915 O ALA A 61 -2.513 5.222 6.992 1.00 1.00 O ATOM 916 CB ALA A 61 -3.456 6.407 4.578 1.00 1.00 C ATOM 0 H ALA A 61 -4.879 8.241 5.448 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.998 5.389 5.685 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.838 5.518 4.454 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -4.085 6.538 3.697 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.815 7.280 4.699 1.00 1.00 H new ATOM 922 N GLN A 62 -3.789 6.666 8.143 1.00 1.00 N ATOM 923 CA GLN A 62 -3.029 6.509 9.381 1.00 1.00 C ATOM 924 C GLN A 62 -3.282 5.142 10.008 1.00 1.00 C ATOM 925 O GLN A 62 -2.367 4.506 10.530 1.00 1.00 O ATOM 926 CB GLN A 62 -3.419 7.611 10.368 1.00 1.00 C ATOM 927 CG GLN A 62 -2.802 8.939 9.922 1.00 1.00 C ATOM 928 CD GLN A 62 -1.314 8.960 10.248 1.00 1.00 C ATOM 929 OE1 GLN A 62 -0.918 8.644 11.370 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.459 9.317 9.329 1.00 1.00 N ATOM 0 H GLN A 62 -4.570 7.319 8.205 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.968 6.586 9.145 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.504 7.701 10.419 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -3.073 7.356 11.370 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -2.950 9.076 8.851 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -3.303 9.768 10.421 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -0.789 9.579 8.400 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.539 9.334 9.540 1.00 1.00 H new ATOM 939 N ASP A 63 -4.534 4.698 9.960 1.00 1.00 N ATOM 940 CA ASP A 63 -4.901 3.408 10.532 1.00 1.00 C ATOM 941 C ASP A 63 -4.187 2.276 9.800 1.00 1.00 C ATOM 942 O ASP A 63 -4.344 1.106 10.143 1.00 1.00 O ATOM 943 CB ASP A 63 -6.416 3.208 10.443 1.00 1.00 C ATOM 944 CG ASP A 63 -6.839 2.027 11.311 1.00 1.00 C ATOM 945 OD1 ASP A 63 -5.965 1.360 11.839 1.00 1.00 O ATOM 946 OD2 ASP A 63 -8.033 1.812 11.442 1.00 1.00 O ATOM 0 H ASP A 63 -5.307 5.209 9.534 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.597 3.394 11.579 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.930 4.112 10.769 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.707 3.032 9.408 1.00 1.00 H new ATOM 951 N ILE A 64 -3.406 2.633 8.786 1.00 1.00 N ATOM 952 CA ILE A 64 -2.679 1.637 8.009 1.00 1.00 C ATOM 953 C ILE A 64 -1.438 1.177 8.766 1.00 1.00 C ATOM 954 O ILE A 64 -0.618 1.990 9.191 1.00 1.00 O ATOM 955 CB ILE A 64 -2.268 2.235 6.662 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.519 2.718 5.911 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.519 1.196 5.827 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.508 1.564 5.677 1.00 1.00 C ATOM 0 H ILE A 64 -3.261 3.597 8.485 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.328 0.778 7.843 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.604 3.082 6.835 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -4.007 3.508 6.482 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.227 3.150 4.954 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.233 1.635 4.871 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.625 0.876 6.362 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.165 0.336 5.652 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.383 1.937 5.144 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.026 0.786 5.085 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.817 1.150 6.637 1.00 1.00 H new ATOM 970 N SER A 65 -1.310 -0.141 8.933 1.00 1.00 N ATOM 971 CA SER A 65 -0.170 -0.726 9.642 1.00 1.00 C ATOM 972 C SER A 65 0.495 -1.799 8.785 1.00 1.00 C ATOM 973 O SER A 65 1.721 -1.893 8.734 1.00 1.00 O ATOM 974 CB SER A 65 -0.643 -1.343 10.958 1.00 1.00 C ATOM 975 OG SER A 65 -1.831 -2.085 10.732 1.00 1.00 O ATOM 0 H SER A 65 -1.983 -0.824 8.586 1.00 1.00 H new ATOM 0 HA SER A 65 0.555 0.061 9.848 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.132 -1.992 11.367 1.00 1.00 H new ATOM 0 HB3 SER A 65 -0.825 -0.560 11.694 1.00 1.00 H new ATOM 0 HG SER A 65 -2.134 -2.482 11.575 1.00 1.00 H new ATOM 981 N THR A 66 -0.324 -2.608 8.111 1.00 1.00 N ATOM 982 CA THR A 66 0.188 -3.683 7.252 1.00 1.00 C ATOM 983 C THR A 66 -0.365 -3.545 5.838 1.00 1.00 C ATOM 984 O THR A 66 -1.216 -2.696 5.572 1.00 1.00 O ATOM 985 CB THR A 66 -0.200 -5.048 7.826 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.589 -5.267 7.633 1.00 1.00 O ATOM 987 CG2 THR A 66 0.125 -5.086 9.320 1.00 1.00 C ATOM 0 H THR A 66 -1.341 -2.542 8.141 1.00 1.00 H new ATOM 0 HA THR A 66 1.275 -3.605 7.215 1.00 1.00 H new ATOM 0 HB THR A 66 0.362 -5.830 7.315 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.731 -6.164 7.263 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.152 -6.058 9.728 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.193 -4.922 9.464 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.434 -4.304 9.834 1.00 1.00 H new ATOM 995 N ILE A 67 0.129 -4.380 4.930 1.00 1.00 N ATOM 996 CA ILE A 67 -0.311 -4.332 3.539 1.00 1.00 C ATOM 997 C ILE A 67 -1.816 -4.562 3.445 1.00 1.00 C ATOM 998 O ILE A 67 -2.516 -3.848 2.730 1.00 1.00 O ATOM 999 CB ILE A 67 0.412 -5.411 2.734 1.00 1.00 C ATOM 1000 CG1 ILE A 67 1.937 -5.262 2.890 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.010 -5.325 1.264 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.399 -3.859 2.471 1.00 1.00 C ATOM 0 H ILE A 67 0.830 -5.094 5.129 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.076 -3.347 3.136 1.00 1.00 H new ATOM 0 HB ILE A 67 0.123 -6.390 3.116 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.220 -5.447 3.926 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.443 -6.012 2.282 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.531 -6.098 0.699 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -1.066 -5.471 1.172 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.278 -4.345 0.870 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.480 -3.781 2.591 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.136 -3.686 1.427 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.910 -3.113 3.097 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.311 -5.557 4.171 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.739 -5.855 4.155 1.00 1.00 C ATOM 1016 C GLN A 68 -4.547 -4.602 4.493 1.00 1.00 C ATOM 1017 O GLN A 68 -5.578 -4.335 3.875 1.00 1.00 O ATOM 1018 CB GLN A 68 -4.045 -6.976 5.176 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.235 -8.316 4.457 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.619 -8.357 3.814 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.791 -7.850 2.623 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.571 -8.850 4.419 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.754 -6.165 4.771 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.022 -6.190 3.157 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.230 -7.054 5.895 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.944 -6.728 5.740 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.465 -8.445 3.696 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.126 -9.139 5.164 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.434 -9.246 5.349 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.496 -8.863 3.990 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.079 -3.842 5.475 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.784 -2.631 5.877 1.00 1.00 C ATOM 1033 C GLN A 69 -4.903 -1.673 4.699 1.00 1.00 C ATOM 1034 O GLN A 69 -5.972 -1.118 4.445 1.00 1.00 O ATOM 1035 CB GLN A 69 -4.034 -1.938 7.012 1.00 1.00 C ATOM 1036 CG GLN A 69 -3.889 -2.896 8.190 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.257 -3.247 8.755 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -6.173 -2.424 8.734 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -5.445 -4.424 9.276 1.00 1.00 N ATOM 0 H GLN A 69 -3.227 -4.038 6.001 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.781 -2.911 6.217 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.051 -1.617 6.669 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.572 -1.042 7.323 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.377 -3.803 7.869 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.274 -2.440 8.965 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.684 -5.103 9.291 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.354 -4.668 9.669 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.803 -1.488 3.980 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.805 -0.599 2.829 1.00 1.00 C ATOM 1050 C ALA A 70 -4.723 -1.144 1.738 1.00 1.00 C ATOM 1051 O ALA A 70 -5.427 -0.388 1.073 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.384 -0.446 2.283 1.00 1.00 C ATOM 0 H ALA A 70 -2.908 -1.937 4.172 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.175 0.377 3.144 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.395 0.221 1.421 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.740 -0.029 3.057 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.003 -1.422 1.981 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.712 -2.463 1.563 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.552 -3.093 0.550 1.00 1.00 C ATOM 1060 C ALA A 71 -7.029 -2.901 0.879 1.00 1.00 C ATOM 1061 O ALA A 71 -7.850 -2.688 -0.013 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.230 -4.588 0.456 1.00 1.00 C ATOM 0 H ALA A 71 -4.137 -3.110 2.103 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.346 -2.620 -0.410 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.862 -5.049 -0.303 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.183 -4.718 0.184 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.416 -5.062 1.420 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.362 -2.978 2.165 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.746 -2.811 2.600 1.00 1.00 C ATOM 1070 C ASP A 72 -9.245 -1.409 2.259 1.00 1.00 C ATOM 1071 O ASP A 72 -10.381 -1.230 1.823 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.847 -3.044 4.110 1.00 1.00 C ATOM 1073 CG ASP A 72 -8.667 -4.527 4.420 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -8.745 -5.320 3.496 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.450 -4.848 5.577 1.00 1.00 O ATOM 0 H ASP A 72 -6.698 -3.154 2.919 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.367 -3.540 2.080 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.086 -2.460 4.628 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.815 -2.702 4.476 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.394 -0.414 2.468 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.766 0.963 2.172 1.00 1.00 C ATOM 1082 C VAL A 73 -8.850 1.189 0.661 1.00 1.00 C ATOM 1083 O VAL A 73 -9.796 1.803 0.168 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.747 1.923 2.785 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.073 3.359 2.365 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.805 1.814 4.310 1.00 1.00 C ATOM 0 H VAL A 73 -7.451 -0.532 2.838 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.747 1.155 2.606 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.748 1.663 2.435 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.344 4.041 2.804 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.035 3.438 1.279 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.072 3.622 2.713 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.080 2.497 4.751 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.805 2.074 4.656 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.571 0.793 4.611 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.844 0.702 -0.065 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.808 0.871 -1.515 1.00 1.00 C ATOM 1098 C ILE A 74 -8.998 0.182 -2.180 1.00 1.00 C ATOM 1099 O ILE A 74 -9.719 0.797 -2.963 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.501 0.284 -2.068 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.317 1.125 -1.582 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.532 0.286 -3.601 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.012 0.372 -1.845 1.00 1.00 C ATOM 0 H ILE A 74 -7.051 0.192 0.324 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.861 1.937 -1.737 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.393 -0.741 -1.714 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.305 2.086 -2.097 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.420 1.335 -0.517 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.601 -0.132 -3.984 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.371 -0.317 -3.949 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.646 1.308 -3.961 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.170 0.971 -1.499 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.026 -0.578 -1.310 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -3.909 0.185 -2.914 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.197 -1.091 -1.855 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.300 -1.857 -2.427 1.00 1.00 C ATOM 1117 C GLU A 75 -11.632 -1.281 -1.978 1.00 1.00 C ATOM 1118 O GLU A 75 -12.617 -1.305 -2.717 1.00 1.00 O ATOM 1119 CB GLU A 75 -10.185 -3.329 -2.007 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.534 -3.490 -0.517 1.00 1.00 C ATOM 1121 CD GLU A 75 -12.043 -3.641 -0.325 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.762 -3.533 -1.304 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -12.456 -3.862 0.802 1.00 1.00 O ATOM 0 H GLU A 75 -8.612 -1.613 -1.202 1.00 1.00 H new ATOM 0 HA GLU A 75 -10.248 -1.795 -3.514 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.855 -3.940 -2.612 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -9.172 -3.688 -2.191 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -10.022 -4.363 -0.112 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.177 -2.624 0.040 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.652 -0.760 -0.762 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.862 -0.172 -0.216 1.00 1.00 C ATOM 1132 C GLY A 76 -13.308 1.026 -1.044 1.00 1.00 C ATOM 1133 O GLY A 76 -14.477 1.400 -1.025 1.00 1.00 O ATOM 0 H GLY A 76 -10.846 -0.733 -0.137 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.656 -0.919 -0.194 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.687 0.138 0.814 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.366 1.640 -1.763 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.689 2.798 -2.592 1.00 1.00 C ATOM 1139 C LEU A 77 -13.204 2.361 -3.961 1.00 1.00 C ATOM 1140 O LEU A 77 -14.188 2.892 -4.469 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.450 3.677 -2.745 1.00 1.00 C ATOM 1142 CG LEU A 77 -11.110 4.329 -1.393 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.695 4.910 -1.459 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -12.112 5.456 -1.065 1.00 1.00 C ATOM 0 H LEU A 77 -11.386 1.358 -1.787 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.479 3.370 -2.104 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.608 3.079 -3.094 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.628 4.446 -3.497 1.00 1.00 H new ATOM 0 HG LEU A 77 -11.170 3.572 -0.611 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.447 5.374 -0.504 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.983 4.112 -1.670 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.646 5.659 -2.250 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.854 5.904 -0.105 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -12.071 6.217 -1.844 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -13.120 5.043 -1.014 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.510 1.398 -4.556 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.873 0.889 -5.876 1.00 1.00 C ATOM 1158 C LEU A 78 -14.246 0.231 -5.857 1.00 1.00 C ATOM 1159 O LEU A 78 -15.040 0.408 -6.777 1.00 1.00 O ATOM 1160 CB LEU A 78 -11.822 -0.131 -6.317 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.469 0.586 -6.580 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -9.317 -0.273 -6.056 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.276 0.822 -8.084 1.00 1.00 C ATOM 0 H LEU A 78 -11.690 0.952 -4.145 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.911 1.724 -6.575 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.697 -0.893 -5.548 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.155 -0.642 -7.221 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.478 1.546 -6.063 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -8.371 0.234 -6.243 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -9.439 -0.431 -4.984 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -9.320 -1.236 -6.567 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.324 1.325 -8.254 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.279 -0.135 -8.606 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.088 1.444 -8.462 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.513 -0.537 -4.811 1.00 1.00 N ATOM 1176 CA GLU A 79 -15.789 -1.231 -4.689 1.00 1.00 C ATOM 1177 C GLU A 79 -16.948 -0.282 -4.961 1.00 1.00 C ATOM 1178 O GLU A 79 -17.941 -0.656 -5.585 1.00 1.00 O ATOM 1179 CB GLU A 79 -15.909 -1.818 -3.281 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.173 -0.706 -2.253 1.00 1.00 C ATOM 1181 CD GLU A 79 -17.663 -0.377 -2.179 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -18.424 -0.978 -2.919 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -18.019 0.477 -1.385 1.00 1.00 O ATOM 0 H GLU A 79 -13.868 -0.696 -4.037 1.00 1.00 H new ATOM 0 HA GLU A 79 -15.829 -2.033 -5.426 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.719 -2.547 -3.253 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -14.993 -2.349 -3.023 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -15.816 -1.020 -1.272 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -15.612 0.188 -2.526 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.815 0.945 -4.481 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.844 1.944 -4.663 1.00 1.00 C ATOM 1192 C LYS A 80 -18.082 2.205 -6.147 1.00 1.00 C ATOM 1193 O LYS A 80 -19.225 2.324 -6.587 1.00 1.00 O ATOM 1194 CB LYS A 80 -17.410 3.237 -3.982 1.00 1.00 C ATOM 1195 CG LYS A 80 -17.405 3.054 -2.464 1.00 1.00 C ATOM 1196 CD LYS A 80 -16.975 4.362 -1.793 1.00 1.00 C ATOM 1197 CE LYS A 80 -16.982 4.181 -0.273 1.00 1.00 C ATOM 1198 NZ LYS A 80 -16.542 5.447 0.384 1.00 1.00 N ATOM 0 H LYS A 80 -15.999 1.269 -3.961 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.772 1.582 -4.221 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -16.415 3.522 -4.325 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -18.086 4.047 -4.256 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -18.398 2.765 -2.119 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -16.724 2.249 -2.186 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -15.979 4.647 -2.132 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -17.651 5.169 -2.077 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -17.982 3.912 0.067 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -16.319 3.363 0.009 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -16.547 5.322 1.416 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -15.580 5.685 0.069 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -17.192 6.217 0.125 1.00 1.00 H new ATOM 1212 N LYS A 81 -16.998 2.289 -6.916 1.00 1.00 N ATOM 1213 CA LYS A 81 -17.101 2.533 -8.357 1.00 1.00 C ATOM 1214 C LYS A 81 -17.006 1.223 -9.130 1.00 1.00 C ATOM 1215 O LYS A 81 -16.348 0.279 -8.698 1.00 1.00 O ATOM 1216 CB LYS A 81 -15.981 3.473 -8.809 1.00 1.00 C ATOM 1217 CG LYS A 81 -14.645 2.984 -8.246 1.00 1.00 C ATOM 1218 CD LYS A 81 -13.489 3.791 -8.854 1.00 1.00 C ATOM 1219 CE LYS A 81 -13.457 5.205 -8.261 1.00 1.00 C ATOM 1220 NZ LYS A 81 -12.181 5.873 -8.640 1.00 1.00 N ATOM 0 H LYS A 81 -16.043 2.193 -6.570 1.00 1.00 H new ATOM 0 HA LYS A 81 -18.068 2.994 -8.559 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -15.938 3.507 -9.898 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -16.183 4.488 -8.466 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -14.639 3.087 -7.161 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -14.515 1.925 -8.466 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -12.543 3.286 -8.660 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -13.605 3.846 -9.936 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -14.305 5.784 -8.626 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -13.547 5.158 -7.176 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -12.159 6.832 -8.238 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -11.379 5.324 -8.271 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -12.114 5.930 -9.676 1.00 1.00 H new ATOM 1234 N ALA A 82 -17.671 1.170 -10.278 1.00 1.00 N ATOM 1235 CA ALA A 82 -17.657 -0.032 -11.104 1.00 1.00 C ATOM 1236 C ALA A 82 -16.248 -0.613 -11.192 1.00 1.00 C ATOM 1237 O ALA A 82 -16.131 -1.792 -11.486 1.00 1.00 O ATOM 1238 CB ALA A 82 -18.161 0.300 -12.506 1.00 1.00 C ATOM 1239 OXT ALA A 82 -15.306 0.129 -10.963 1.00 1.00 O ATOM 0 H ALA A 82 -18.223 1.940 -10.657 1.00 1.00 H new ATOM 0 HA ALA A 82 -18.311 -0.773 -10.644 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -18.149 -0.601 -13.120 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -19.179 0.684 -12.445 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -17.515 1.054 -12.956 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 8.396 10.439 7.486 1.00 1.00 O HETATM 1247 P24 PNS A 101 8.118 11.788 8.317 1.00 1.00 P HETATM 1248 O25 PNS A 101 9.241 12.724 8.069 1.00 1.00 O HETATM 1249 O26 PNS A 101 6.726 12.218 8.054 1.00 1.00 O HETATM 1250 O27 PNS A 101 8.212 11.281 9.845 1.00 1.00 O HETATM 1251 C28 PNS A 101 7.492 11.939 10.882 1.00 1.00 C HETATM 1252 C29 PNS A 101 8.486 12.605 11.844 1.00 1.00 C HETATM 1253 C30 PNS A 101 7.757 13.611 12.729 1.00 1.00 C HETATM 1254 C31 PNS A 101 9.573 13.317 11.026 1.00 1.00 C HETATM 1255 C32 PNS A 101 9.119 11.558 12.753 1.00 1.00 C HETATM 1256 O33 PNS A 101 8.123 11.082 13.644 1.00 1.00 O HETATM 1257 C34 PNS A 101 9.668 10.393 11.927 1.00 1.00 C HETATM 1258 O35 PNS A 101 10.736 10.494 11.325 1.00 1.00 O HETATM 1259 N36 PNS A 101 8.923 9.287 11.903 1.00 1.00 N HETATM 1260 C37 PNS A 101 9.331 8.100 11.146 1.00 1.00 C HETATM 1261 C38 PNS A 101 8.494 7.972 9.870 1.00 1.00 C HETATM 1262 C39 PNS A 101 7.108 7.430 10.207 1.00 1.00 C HETATM 1263 O40 PNS A 101 6.964 6.547 11.053 1.00 1.00 O HETATM 1264 N41 PNS A 101 6.089 7.962 9.539 1.00 1.00 N HETATM 1265 C42 PNS A 101 4.720 7.520 9.777 1.00 1.00 C HETATM 1266 C43 PNS A 101 3.777 8.124 8.728 1.00 1.00 C HETATM 1267 S44 PNS A 101 2.411 7.003 8.431 1.00 1.00 S HETATM 0 H432 PNS A 101 3.402 9.087 9.073 1.00 1.00 H new HETATM 0 H431 PNS A 101 4.319 8.307 7.800 1.00 1.00 H new HETATM 0 H422 PNS A 101 4.403 7.818 10.776 1.00 1.00 H new HETATM 0 H421 PNS A 101 4.670 6.432 9.738 1.00 1.00 H new HETATM 0 H382 PNS A 101 8.992 7.307 9.164 1.00 1.00 H new HETATM 0 H381 PNS A 101 8.405 8.944 9.384 1.00 1.00 H new HETATM 0 H372 PNS A 101 9.209 7.208 11.761 1.00 1.00 H new HETATM 0 H371 PNS A 101 10.388 8.169 10.890 1.00 1.00 H new HETATM 0 H313 PNS A 101 10.284 13.793 11.702 1.00 1.00 H new HETATM 0 H312 PNS A 101 9.113 14.074 10.391 1.00 1.00 H new HETATM 0 H311 PNS A 101 10.095 12.590 10.404 1.00 1.00 H new HETATM 0 H303 PNS A 101 8.468 14.080 13.409 1.00 1.00 H new HETATM 0 H302 PNS A 101 6.988 13.098 13.306 1.00 1.00 H new HETATM 0 H301 PNS A 101 7.293 14.375 12.105 1.00 1.00 H new HETATM 0 H282 PNS A 101 6.871 11.223 11.420 1.00 1.00 H new HETATM 0 H281 PNS A 101 6.822 12.687 10.458 1.00 1.00 H new HETATM 0 H41 PNS A 101 6.268 8.691 8.849 1.00 1.00 H new HETATM 0 H36 PNS A 101 8.047 9.267 12.425 1.00 1.00 H new HETATM 0 H33 PNS A 101 8.511 10.405 14.237 1.00 1.00 H new HETATM 0 H32 PNS A 101 9.945 12.005 13.306 1.00 1.00 H new HETATM 1288 C1 DKA A 102 2.822 5.519 7.620 1.00 1.00 C HETATM 1289 O1 DKA A 102 3.949 5.246 7.271 1.00 1.00 O HETATM 1290 C2 DKA A 102 1.624 4.641 7.416 1.00 1.00 C HETATM 1291 C3 DKA A 102 2.055 3.319 6.768 1.00 1.00 C HETATM 1292 C4 DKA A 102 2.417 3.545 5.284 1.00 1.00 C HETATM 1293 C5 DKA A 102 1.166 3.400 4.408 1.00 1.00 C HETATM 1294 C6 DKA A 102 1.497 3.789 2.964 1.00 1.00 C HETATM 1295 C7 DKA A 102 0.415 3.248 2.025 1.00 1.00 C HETATM 1296 C8 DKA A 102 -0.940 3.853 2.403 1.00 1.00 C HETATM 1297 C9 DKA A 102 -1.935 3.630 1.263 1.00 1.00 C HETATM 1298 C10 DKA A 102 -3.338 4.029 1.723 1.00 1.00 C HETATM 0 H103 DKA A 102 -3.627 3.421 2.580 1.00 1.00 H new HETATM 0 H102 DKA A 102 -3.342 5.081 2.007 1.00 1.00 H new HETATM 0 H101 DKA A 102 -4.046 3.870 0.910 1.00 1.00 H new HETATM 0 H92 DKA A 102 -1.645 4.219 0.393 1.00 1.00 H new HETATM 0 H91 DKA A 102 -1.925 2.584 0.957 1.00 1.00 H new HETATM 0 H82 DKA A 102 -1.312 3.394 3.319 1.00 1.00 H new HETATM 0 H81 DKA A 102 -0.831 4.919 2.602 1.00 1.00 H new HETATM 0 H72 DKA A 102 0.659 3.494 0.992 1.00 1.00 H new HETATM 0 H71 DKA A 102 0.371 2.161 2.092 1.00 1.00 H new HETATM 0 H62 DKA A 102 1.561 4.873 2.875 1.00 1.00 H new HETATM 0 H61 DKA A 102 2.471 3.388 2.683 1.00 1.00 H new HETATM 0 H52 DKA A 102 0.803 2.373 4.444 1.00 1.00 H new HETATM 0 H51 DKA A 102 0.367 4.034 4.791 1.00 1.00 H new HETATM 0 H42 DKA A 102 2.848 4.538 5.154 1.00 1.00 H new HETATM 0 H41 DKA A 102 3.174 2.825 4.973 1.00 1.00 H new HETATM 0 H32 DKA A 102 2.912 2.907 7.300 1.00 1.00 H new HETATM 0 H31 DKA A 102 1.250 2.588 6.846 1.00 1.00 H new HETATM 0 H22 DKA A 102 1.137 4.447 8.371 1.00 1.00 H new HETATM 0 H21 DKA A 102 0.894 5.146 6.783 1.00 1.00 H new