USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=16 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+ 176:sc= -1.37 (180deg=-1.53) USER MOD Set 1.2: A 47 ASN : amide:sc= -4.83! C(o=-6.2!,f=-17!) USER MOD Single : A 1 ALA N :NH3+ -103:sc= 0.931 (180deg=0.0915) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 173:sc= -0.596 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.552 USER MOD Single : A 29 SER OG : rot -87:sc= 1.22 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 11:sc= -1.36! USER MOD Single : A 46 MET CE :methyl -152:sc= -0.209 (180deg=-1.46!) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.56! C(o=-3.5!,f=-1.6!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.47) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 130:sc= 0.455 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.796 F(o=-3.7!,f=-0.8) USER MOD Single : A 69 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.17) USER MOD Single : A 80 LYS NZ :NH3+ -145:sc= -0.297 (180deg=-1.45!) USER MOD Single : A 81 LYS NZ :NH3+ 172:sc= -0.256 (180deg=-0.454) USER MOD Single : A 101 PNS O33 : rot 180:sc= -0.0376 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.779 -7.202 1.951 1.00 1.00 N ATOM 2 CA ALA A 1 -9.452 -7.218 0.498 1.00 1.00 C ATOM 3 C ALA A 1 -9.338 -8.663 0.028 1.00 1.00 C ATOM 4 O ALA A 1 -10.001 -9.553 0.558 1.00 1.00 O ATOM 5 CB ALA A 1 -8.129 -6.485 0.264 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.788 -6.983 2.077 1.00 1.00 H new ATOM 0 H2 ALA A 1 -9.573 -8.134 2.364 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.205 -6.478 2.428 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.239 -6.716 -0.065 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.890 -6.497 -0.799 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.219 -5.453 0.604 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.334 -6.982 0.820 1.00 1.00 H new ATOM 13 N LYS A 2 -8.496 -8.884 -0.977 1.00 1.00 N ATOM 14 CA LYS A 2 -8.294 -10.222 -1.533 1.00 1.00 C ATOM 15 C LYS A 2 -6.813 -10.479 -1.779 1.00 1.00 C ATOM 16 O LYS A 2 -5.990 -9.569 -1.685 1.00 1.00 O ATOM 17 CB LYS A 2 -9.067 -10.345 -2.847 1.00 1.00 C ATOM 18 CG LYS A 2 -8.451 -9.419 -3.900 1.00 1.00 C ATOM 19 CD LYS A 2 -9.494 -9.076 -4.966 1.00 1.00 C ATOM 20 CE LYS A 2 -9.922 -10.353 -5.693 1.00 1.00 C ATOM 21 NZ LYS A 2 -10.757 -10.000 -6.876 1.00 1.00 N ATOM 0 H LYS A 2 -7.941 -8.155 -1.425 1.00 1.00 H new ATOM 0 HA LYS A 2 -8.660 -10.962 -0.821 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -9.043 -11.377 -3.198 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.114 -10.086 -2.689 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.088 -8.507 -3.427 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -7.590 -9.902 -4.363 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -10.359 -8.601 -4.503 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -9.080 -8.361 -5.678 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -9.043 -10.915 -6.010 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -10.485 -10.997 -5.017 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -11.047 -10.869 -7.368 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -11.602 -9.482 -6.562 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -10.206 -9.402 -7.524 1.00 1.00 H new ATOM 35 N LYS A 3 -6.484 -11.724 -2.089 1.00 1.00 N ATOM 36 CA LYS A 3 -5.102 -12.099 -2.345 1.00 1.00 C ATOM 37 C LYS A 3 -4.568 -11.378 -3.578 1.00 1.00 C ATOM 38 O LYS A 3 -3.377 -11.077 -3.665 1.00 1.00 O ATOM 39 CB LYS A 3 -5.002 -13.618 -2.562 1.00 1.00 C ATOM 40 CG LYS A 3 -6.154 -14.108 -3.478 1.00 1.00 C ATOM 41 CD LYS A 3 -7.249 -14.796 -2.647 1.00 1.00 C ATOM 42 CE LYS A 3 -8.381 -15.247 -3.569 1.00 1.00 C ATOM 43 NZ LYS A 3 -9.429 -15.926 -2.758 1.00 1.00 N ATOM 0 H LYS A 3 -7.153 -12.490 -2.169 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.504 -11.811 -1.480 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -4.040 -13.865 -3.012 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -5.047 -14.133 -1.602 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.578 -13.264 -4.021 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -5.764 -14.802 -4.222 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.834 -15.653 -2.117 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -7.632 -14.110 -1.892 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -8.806 -14.389 -4.090 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -7.997 -15.925 -4.331 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -10.203 -16.236 -3.380 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -9.017 -16.753 -2.280 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -9.800 -15.264 -2.047 1.00 1.00 H new ATOM 57 N GLU A 4 -5.451 -11.117 -4.537 1.00 1.00 N ATOM 58 CA GLU A 4 -5.041 -10.445 -5.763 1.00 1.00 C ATOM 59 C GLU A 4 -4.678 -8.992 -5.486 1.00 1.00 C ATOM 60 O GLU A 4 -3.641 -8.510 -5.935 1.00 1.00 O ATOM 61 CB GLU A 4 -6.170 -10.501 -6.800 1.00 1.00 C ATOM 62 CG GLU A 4 -5.612 -10.180 -8.188 1.00 1.00 C ATOM 63 CD GLU A 4 -4.756 -11.339 -8.685 1.00 1.00 C ATOM 64 OE1 GLU A 4 -4.909 -12.428 -8.159 1.00 1.00 O ATOM 65 OE2 GLU A 4 -3.960 -11.120 -9.582 1.00 1.00 O ATOM 0 H GLU A 4 -6.441 -11.357 -4.490 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.163 -10.959 -6.154 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -6.627 -11.491 -6.801 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -6.953 -9.789 -6.539 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -6.430 -9.996 -8.885 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -5.016 -9.268 -8.148 1.00 1.00 H new ATOM 72 N THR A 5 -5.537 -8.304 -4.738 1.00 1.00 N ATOM 73 CA THR A 5 -5.301 -6.900 -4.407 1.00 1.00 C ATOM 74 C THR A 5 -4.008 -6.742 -3.616 1.00 1.00 C ATOM 75 O THR A 5 -3.230 -5.821 -3.858 1.00 1.00 O ATOM 76 CB THR A 5 -6.473 -6.342 -3.596 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.660 -6.419 -4.372 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.200 -4.879 -3.239 1.00 1.00 C ATOM 0 H THR A 5 -6.397 -8.692 -4.351 1.00 1.00 H new ATOM 0 HA THR A 5 -5.212 -6.342 -5.339 1.00 1.00 H new ATOM 0 HB THR A 5 -6.590 -6.924 -2.682 1.00 1.00 H new ATOM 0 HG1 THR A 5 -8.413 -6.064 -3.855 1.00 1.00 H new ATOM 0 HG21 THR A 5 -7.036 -4.483 -2.662 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.287 -4.813 -2.648 1.00 1.00 H new ATOM 0 HG23 THR A 5 -6.083 -4.297 -4.153 1.00 1.00 H new ATOM 86 N ILE A 6 -3.788 -7.645 -2.669 1.00 1.00 N ATOM 87 CA ILE A 6 -2.589 -7.596 -1.842 1.00 1.00 C ATOM 88 C ILE A 6 -1.345 -7.744 -2.713 1.00 1.00 C ATOM 89 O ILE A 6 -0.349 -7.051 -2.507 1.00 1.00 O ATOM 90 CB ILE A 6 -2.624 -8.723 -0.802 1.00 1.00 C ATOM 91 CG1 ILE A 6 -3.747 -8.454 0.201 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.288 -8.784 -0.052 1.00 1.00 C ATOM 93 CD1 ILE A 6 -3.991 -9.712 1.036 1.00 1.00 C ATOM 0 H ILE A 6 -4.420 -8.416 -2.455 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.555 -6.634 -1.330 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.798 -9.671 -1.310 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -3.479 -7.620 0.849 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.659 -8.170 -0.324 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.321 -9.587 0.685 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.482 -8.974 -0.760 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.111 -7.835 0.453 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -4.791 -9.524 1.752 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.277 -10.534 0.380 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.079 -9.976 1.572 1.00 1.00 H new ATOM 105 N ASP A 7 -1.407 -8.650 -3.678 1.00 1.00 N ATOM 106 CA ASP A 7 -0.274 -8.879 -4.561 1.00 1.00 C ATOM 107 C ASP A 7 0.066 -7.616 -5.340 1.00 1.00 C ATOM 108 O ASP A 7 1.236 -7.275 -5.502 1.00 1.00 O ATOM 109 CB ASP A 7 -0.593 -10.011 -5.540 1.00 1.00 C ATOM 110 CG ASP A 7 -0.608 -11.346 -4.805 1.00 1.00 C ATOM 111 OD1 ASP A 7 -0.135 -11.388 -3.681 1.00 1.00 O ATOM 112 OD2 ASP A 7 -1.092 -12.310 -5.378 1.00 1.00 O ATOM 0 H ASP A 7 -2.222 -9.233 -3.868 1.00 1.00 H new ATOM 0 HA ASP A 7 0.584 -9.157 -3.949 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -1.560 -9.834 -6.010 1.00 1.00 H new ATOM 0 HB3 ASP A 7 0.150 -10.034 -6.337 1.00 1.00 H new ATOM 117 N LYS A 8 -0.959 -6.930 -5.829 1.00 1.00 N ATOM 118 CA LYS A 8 -0.740 -5.716 -6.599 1.00 1.00 C ATOM 119 C LYS A 8 -0.079 -4.640 -5.749 1.00 1.00 C ATOM 120 O LYS A 8 0.917 -4.038 -6.154 1.00 1.00 O ATOM 121 CB LYS A 8 -2.075 -5.189 -7.117 1.00 1.00 C ATOM 122 CG LYS A 8 -2.786 -6.275 -7.956 1.00 1.00 C ATOM 123 CD LYS A 8 -3.405 -5.657 -9.218 1.00 1.00 C ATOM 124 CE LYS A 8 -4.422 -4.584 -8.823 1.00 1.00 C ATOM 125 NZ LYS A 8 -5.404 -4.407 -9.929 1.00 1.00 N ATOM 0 H LYS A 8 -1.938 -7.190 -5.708 1.00 1.00 H new ATOM 0 HA LYS A 8 -0.081 -5.958 -7.433 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.707 -4.893 -6.280 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.912 -4.298 -7.724 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -2.074 -7.052 -8.235 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.562 -6.754 -7.360 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -2.624 -5.220 -9.841 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -3.891 -6.431 -9.812 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -4.937 -4.874 -7.907 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -3.913 -3.642 -8.618 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -6.097 -3.678 -9.664 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.905 -4.113 -10.793 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -5.896 -5.306 -10.103 1.00 1.00 H new ATOM 139 N VAL A 9 -0.633 -4.402 -4.566 1.00 1.00 N ATOM 140 CA VAL A 9 -0.079 -3.397 -3.674 1.00 1.00 C ATOM 141 C VAL A 9 1.303 -3.831 -3.195 1.00 1.00 C ATOM 142 O VAL A 9 2.243 -3.045 -3.192 1.00 1.00 O ATOM 143 CB VAL A 9 -1.007 -3.193 -2.472 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.424 -2.134 -1.535 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.381 -2.729 -2.952 1.00 1.00 C ATOM 0 H VAL A 9 -1.456 -4.886 -4.207 1.00 1.00 H new ATOM 0 HA VAL A 9 0.012 -2.455 -4.216 1.00 1.00 H new ATOM 0 HB VAL A 9 -1.103 -4.139 -1.939 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.090 -1.995 -0.683 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.554 -2.460 -1.181 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.320 -1.191 -2.072 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.037 -2.585 -2.093 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.279 -1.788 -3.492 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.809 -3.482 -3.614 1.00 1.00 H new ATOM 155 N SER A 10 1.418 -5.093 -2.793 1.00 1.00 N ATOM 156 CA SER A 10 2.688 -5.619 -2.311 1.00 1.00 C ATOM 157 C SER A 10 3.751 -5.551 -3.402 1.00 1.00 C ATOM 158 O SER A 10 4.917 -5.263 -3.128 1.00 1.00 O ATOM 159 CB SER A 10 2.518 -7.067 -1.860 1.00 1.00 C ATOM 160 OG SER A 10 2.267 -7.883 -2.994 1.00 1.00 O ATOM 0 H SER A 10 0.651 -5.766 -2.792 1.00 1.00 H new ATOM 0 HA SER A 10 3.010 -5.009 -1.467 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.416 -7.407 -1.344 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.694 -7.145 -1.151 1.00 1.00 H new ATOM 0 HG SER A 10 2.269 -8.826 -2.726 1.00 1.00 H new ATOM 166 N ASP A 11 3.344 -5.818 -4.639 1.00 1.00 N ATOM 167 CA ASP A 11 4.274 -5.784 -5.759 1.00 1.00 C ATOM 168 C ASP A 11 4.858 -4.386 -5.925 1.00 1.00 C ATOM 169 O ASP A 11 6.054 -4.223 -6.150 1.00 1.00 O ATOM 170 CB ASP A 11 3.556 -6.197 -7.046 1.00 1.00 C ATOM 171 CG ASP A 11 3.295 -7.701 -7.045 1.00 1.00 C ATOM 172 OD1 ASP A 11 3.909 -8.393 -6.249 1.00 1.00 O ATOM 173 OD2 ASP A 11 2.483 -8.141 -7.843 1.00 1.00 O ATOM 0 H ASP A 11 2.385 -6.058 -4.889 1.00 1.00 H new ATOM 0 HA ASP A 11 5.086 -6.483 -5.557 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.613 -5.657 -7.134 1.00 1.00 H new ATOM 0 HB3 ASP A 11 4.161 -5.926 -7.911 1.00 1.00 H new ATOM 178 N ILE A 12 4.010 -3.379 -5.817 1.00 1.00 N ATOM 179 CA ILE A 12 4.459 -2.004 -5.951 1.00 1.00 C ATOM 180 C ILE A 12 5.279 -1.581 -4.731 1.00 1.00 C ATOM 181 O ILE A 12 6.305 -0.914 -4.862 1.00 1.00 O ATOM 182 CB ILE A 12 3.251 -1.083 -6.112 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.414 -1.542 -7.320 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.740 0.352 -6.333 1.00 1.00 C ATOM 185 CD1 ILE A 12 0.993 -0.997 -7.196 1.00 1.00 C ATOM 0 H ILE A 12 3.012 -3.486 -5.638 1.00 1.00 H new ATOM 0 HA ILE A 12 5.094 -1.928 -6.834 1.00 1.00 H new ATOM 0 HB ILE A 12 2.634 -1.122 -5.214 1.00 1.00 H new ATOM 0 HG12 ILE A 12 2.870 -1.190 -8.246 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.394 -2.631 -7.368 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.882 1.015 -6.449 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.332 0.671 -5.475 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.354 0.393 -7.233 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.402 -1.323 -8.052 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.539 -1.371 -6.278 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.022 0.092 -7.169 1.00 1.00 H new ATOM 197 N VAL A 13 4.801 -1.957 -3.544 1.00 1.00 N ATOM 198 CA VAL A 13 5.485 -1.590 -2.304 1.00 1.00 C ATOM 199 C VAL A 13 6.873 -2.215 -2.220 1.00 1.00 C ATOM 200 O VAL A 13 7.856 -1.526 -1.958 1.00 1.00 O ATOM 201 CB VAL A 13 4.655 -2.060 -1.104 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.434 -1.818 0.194 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.332 -1.291 -1.061 1.00 1.00 C ATOM 0 H VAL A 13 3.953 -2.509 -3.415 1.00 1.00 H new ATOM 0 HA VAL A 13 5.595 -0.506 -2.293 1.00 1.00 H new ATOM 0 HB VAL A 13 4.451 -3.126 -1.205 1.00 1.00 H new ATOM 0 HG11 VAL A 13 4.839 -2.154 1.043 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.371 -2.374 0.165 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.646 -0.754 0.298 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.744 -1.627 -0.207 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.534 -0.224 -0.965 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.775 -1.474 -1.980 1.00 1.00 H new ATOM 213 N LYS A 14 6.950 -3.520 -2.437 1.00 1.00 N ATOM 214 CA LYS A 14 8.227 -4.213 -2.367 1.00 1.00 C ATOM 215 C LYS A 14 9.177 -3.687 -3.438 1.00 1.00 C ATOM 216 O LYS A 14 10.390 -3.627 -3.234 1.00 1.00 O ATOM 217 CB LYS A 14 8.003 -5.724 -2.536 1.00 1.00 C ATOM 218 CG LYS A 14 7.756 -6.052 -4.014 1.00 1.00 C ATOM 219 CD LYS A 14 7.112 -7.433 -4.149 1.00 1.00 C ATOM 220 CE LYS A 14 7.985 -8.479 -3.462 1.00 1.00 C ATOM 221 NZ LYS A 14 7.520 -9.839 -3.848 1.00 1.00 N ATOM 0 H LYS A 14 6.152 -4.115 -2.661 1.00 1.00 H new ATOM 0 HA LYS A 14 8.681 -4.030 -1.393 1.00 1.00 H new ATOM 0 HB2 LYS A 14 8.872 -6.272 -2.173 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.151 -6.044 -1.936 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.109 -5.296 -4.458 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.698 -6.027 -4.562 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.118 -7.426 -3.703 1.00 1.00 H new ATOM 0 HD3 LYS A 14 6.987 -7.685 -5.202 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.028 -8.344 -3.749 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.934 -8.358 -2.380 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.113 -10.554 -3.381 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.530 -9.964 -3.553 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 7.591 -9.950 -4.880 1.00 1.00 H new ATOM 235 N GLU A 15 8.615 -3.314 -4.579 1.00 1.00 N ATOM 236 CA GLU A 15 9.418 -2.798 -5.679 1.00 1.00 C ATOM 237 C GLU A 15 9.963 -1.411 -5.350 1.00 1.00 C ATOM 238 O GLU A 15 11.086 -1.069 -5.713 1.00 1.00 O ATOM 239 CB GLU A 15 8.571 -2.731 -6.952 1.00 1.00 C ATOM 240 CG GLU A 15 9.460 -2.389 -8.153 1.00 1.00 C ATOM 241 CD GLU A 15 10.387 -3.559 -8.466 1.00 1.00 C ATOM 242 OE1 GLU A 15 10.195 -4.615 -7.886 1.00 1.00 O ATOM 243 OE2 GLU A 15 11.275 -3.383 -9.284 1.00 1.00 O ATOM 0 H GLU A 15 7.613 -3.358 -4.767 1.00 1.00 H new ATOM 0 HA GLU A 15 10.260 -3.472 -5.836 1.00 1.00 H new ATOM 0 HB2 GLU A 15 8.072 -3.686 -7.118 1.00 1.00 H new ATOM 0 HB3 GLU A 15 7.790 -1.979 -6.841 1.00 1.00 H new ATOM 0 HG2 GLU A 15 8.841 -2.162 -9.021 1.00 1.00 H new ATOM 0 HG3 GLU A 15 10.047 -1.496 -7.939 1.00 1.00 H new ATOM 250 N LYS A 16 9.151 -0.615 -4.680 1.00 1.00 N ATOM 251 CA LYS A 16 9.548 0.735 -4.312 1.00 1.00 C ATOM 252 C LYS A 16 10.589 0.724 -3.201 1.00 1.00 C ATOM 253 O LYS A 16 11.453 1.600 -3.136 1.00 1.00 O ATOM 254 CB LYS A 16 8.316 1.522 -3.860 1.00 1.00 C ATOM 255 CG LYS A 16 7.382 1.759 -5.064 1.00 1.00 C ATOM 256 CD LYS A 16 7.763 3.060 -5.795 1.00 1.00 C ATOM 257 CE LYS A 16 7.089 4.259 -5.117 1.00 1.00 C ATOM 258 NZ LYS A 16 7.391 5.501 -5.890 1.00 1.00 N ATOM 0 H LYS A 16 8.213 -0.878 -4.379 1.00 1.00 H new ATOM 0 HA LYS A 16 9.994 1.211 -5.185 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.788 0.974 -3.080 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.620 2.476 -3.429 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.446 0.916 -5.752 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.348 1.816 -4.724 1.00 1.00 H new ATOM 0 HD2 LYS A 16 8.845 3.188 -5.787 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.457 3.003 -6.840 1.00 1.00 H new ATOM 0 HE2 LYS A 16 6.011 4.103 -5.065 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.446 4.359 -4.092 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 6.880 6.304 -5.471 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 8.414 5.688 -5.860 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 7.090 5.377 -6.878 1.00 1.00 H new ATOM 272 N LEU A 17 10.484 -0.256 -2.309 1.00 1.00 N ATOM 273 CA LEU A 17 11.404 -0.359 -1.179 1.00 1.00 C ATOM 274 C LEU A 17 12.591 -1.249 -1.521 1.00 1.00 C ATOM 275 O LEU A 17 13.505 -1.411 -0.714 1.00 1.00 O ATOM 276 CB LEU A 17 10.658 -0.930 0.029 1.00 1.00 C ATOM 277 CG LEU A 17 9.446 -0.046 0.354 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.671 -0.663 1.519 1.00 1.00 C ATOM 279 CD2 LEU A 17 9.903 1.373 0.730 1.00 1.00 C ATOM 0 H LEU A 17 9.774 -0.988 -2.345 1.00 1.00 H new ATOM 0 HA LEU A 17 11.783 0.636 -0.945 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.331 -1.948 -0.181 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.325 -0.980 0.890 1.00 1.00 H new ATOM 0 HG LEU A 17 8.804 0.016 -0.525 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.809 -0.039 1.754 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.332 -1.661 1.242 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.319 -0.730 2.393 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.032 1.987 0.958 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.553 1.326 1.604 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.449 1.813 -0.105 1.00 1.00 H new ATOM 291 N ALA A 18 12.576 -1.823 -2.719 1.00 1.00 N ATOM 292 CA ALA A 18 13.665 -2.692 -3.147 1.00 1.00 C ATOM 293 C ALA A 18 13.363 -3.291 -4.519 1.00 1.00 C ATOM 294 O ALA A 18 12.404 -2.907 -5.176 1.00 1.00 O ATOM 295 CB ALA A 18 13.875 -3.807 -2.114 1.00 1.00 C ATOM 0 H ALA A 18 11.830 -1.704 -3.404 1.00 1.00 H new ATOM 0 HA ALA A 18 14.578 -2.102 -3.224 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.690 -4.454 -2.438 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.123 -3.366 -1.148 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.961 -4.393 -2.021 1.00 1.00 H new ATOM 301 N LEU A 19 14.193 -4.235 -4.943 1.00 1.00 N ATOM 302 CA LEU A 19 14.004 -4.876 -6.239 1.00 1.00 C ATOM 303 C LEU A 19 12.785 -5.786 -6.209 1.00 1.00 C ATOM 304 O LEU A 19 12.191 -6.083 -7.247 1.00 1.00 O ATOM 305 CB LEU A 19 15.247 -5.687 -6.599 1.00 1.00 C ATOM 306 CG LEU A 19 16.486 -4.788 -6.525 1.00 1.00 C ATOM 307 CD1 LEU A 19 17.733 -5.621 -6.834 1.00 1.00 C ATOM 308 CD2 LEU A 19 16.365 -3.637 -7.540 1.00 1.00 C ATOM 0 H LEU A 19 14.997 -4.572 -4.414 1.00 1.00 H new ATOM 0 HA LEU A 19 13.845 -4.104 -6.992 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.355 -6.529 -5.915 1.00 1.00 H new ATOM 0 HB3 LEU A 19 15.145 -6.102 -7.602 1.00 1.00 H new ATOM 0 HG LEU A 19 16.566 -4.366 -5.523 1.00 1.00 H new ATOM 0 HD11 LEU A 19 18.617 -4.985 -6.783 1.00 1.00 H new ATOM 0 HD12 LEU A 19 17.822 -6.427 -6.105 1.00 1.00 H new ATOM 0 HD13 LEU A 19 17.649 -6.045 -7.835 1.00 1.00 H new ATOM 0 HD21 LEU A 19 17.250 -3.004 -7.480 1.00 1.00 H new ATOM 0 HD22 LEU A 19 16.280 -4.047 -8.546 1.00 1.00 H new ATOM 0 HD23 LEU A 19 15.479 -3.044 -7.314 1.00 1.00 H new ATOM 320 N GLY A 20 12.412 -6.225 -5.012 1.00 1.00 N ATOM 321 CA GLY A 20 11.258 -7.102 -4.848 1.00 1.00 C ATOM 322 C GLY A 20 11.676 -8.570 -4.904 1.00 1.00 C ATOM 323 O GLY A 20 10.868 -9.465 -4.660 1.00 1.00 O ATOM 0 H GLY A 20 12.890 -5.989 -4.143 1.00 1.00 H new ATOM 0 HA2 GLY A 20 10.771 -6.895 -3.895 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.527 -6.898 -5.630 1.00 1.00 H new ATOM 327 N ALA A 21 12.944 -8.810 -5.234 1.00 1.00 N ATOM 328 CA ALA A 21 13.470 -10.175 -5.331 1.00 1.00 C ATOM 329 C ALA A 21 14.253 -10.550 -4.074 1.00 1.00 C ATOM 330 O ALA A 21 14.066 -11.629 -3.515 1.00 1.00 O ATOM 331 CB ALA A 21 14.386 -10.289 -6.552 1.00 1.00 C ATOM 0 H ALA A 21 13.627 -8.080 -5.439 1.00 1.00 H new ATOM 0 HA ALA A 21 12.628 -10.859 -5.433 1.00 1.00 H new ATOM 0 HB1 ALA A 21 14.775 -11.305 -6.621 1.00 1.00 H new ATOM 0 HB2 ALA A 21 13.821 -10.055 -7.454 1.00 1.00 H new ATOM 0 HB3 ALA A 21 15.215 -9.589 -6.451 1.00 1.00 H new ATOM 337 N ASP A 22 15.135 -9.653 -3.642 1.00 1.00 N ATOM 338 CA ASP A 22 15.953 -9.899 -2.456 1.00 1.00 C ATOM 339 C ASP A 22 15.191 -9.537 -1.188 1.00 1.00 C ATOM 340 O ASP A 22 15.764 -9.495 -0.099 1.00 1.00 O ATOM 341 CB ASP A 22 17.238 -9.075 -2.529 1.00 1.00 C ATOM 342 CG ASP A 22 18.098 -9.556 -3.692 1.00 1.00 C ATOM 343 OD1 ASP A 22 17.897 -10.678 -4.127 1.00 1.00 O ATOM 344 OD2 ASP A 22 18.948 -8.797 -4.130 1.00 1.00 O ATOM 0 H ASP A 22 15.302 -8.753 -4.092 1.00 1.00 H new ATOM 0 HA ASP A 22 16.199 -10.960 -2.426 1.00 1.00 H new ATOM 0 HB2 ASP A 22 16.997 -8.020 -2.656 1.00 1.00 H new ATOM 0 HB3 ASP A 22 17.792 -9.165 -1.594 1.00 1.00 H new ATOM 349 N VAL A 23 13.895 -9.272 -1.335 1.00 1.00 N ATOM 350 CA VAL A 23 13.051 -8.909 -0.196 1.00 1.00 C ATOM 351 C VAL A 23 11.770 -9.736 -0.200 1.00 1.00 C ATOM 352 O VAL A 23 11.336 -10.218 -1.248 1.00 1.00 O ATOM 353 CB VAL A 23 12.699 -7.420 -0.265 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.886 -7.146 -1.532 1.00 1.00 C ATOM 355 CG2 VAL A 23 11.878 -7.033 0.968 1.00 1.00 C ATOM 0 H VAL A 23 13.406 -9.301 -2.230 1.00 1.00 H new ATOM 0 HA VAL A 23 13.600 -9.111 0.724 1.00 1.00 H new ATOM 0 HB VAL A 23 13.615 -6.829 -0.289 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.635 -6.086 -1.581 1.00 1.00 H new ATOM 0 HG12 VAL A 23 12.474 -7.421 -2.408 1.00 1.00 H new ATOM 0 HG13 VAL A 23 10.969 -7.735 -1.510 1.00 1.00 H new ATOM 0 HG21 VAL A 23 11.627 -5.973 0.920 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.961 -7.622 0.994 1.00 1.00 H new ATOM 0 HG23 VAL A 23 12.460 -7.227 1.869 1.00 1.00 H new ATOM 365 N VAL A 24 11.166 -9.892 0.979 1.00 1.00 N ATOM 366 CA VAL A 24 9.924 -10.658 1.112 1.00 1.00 C ATOM 367 C VAL A 24 8.847 -9.797 1.765 1.00 1.00 C ATOM 368 O VAL A 24 9.077 -9.180 2.805 1.00 1.00 O ATOM 369 CB VAL A 24 10.167 -11.905 1.967 1.00 1.00 C ATOM 370 CG1 VAL A 24 10.760 -11.496 3.319 1.00 1.00 C ATOM 371 CG2 VAL A 24 8.840 -12.636 2.187 1.00 1.00 C ATOM 0 H VAL A 24 11.515 -9.500 1.854 1.00 1.00 H new ATOM 0 HA VAL A 24 9.591 -10.960 0.119 1.00 1.00 H new ATOM 0 HB VAL A 24 10.866 -12.566 1.455 1.00 1.00 H new ATOM 0 HG11 VAL A 24 10.932 -12.386 3.925 1.00 1.00 H new ATOM 0 HG12 VAL A 24 11.705 -10.977 3.160 1.00 1.00 H new ATOM 0 HG13 VAL A 24 10.065 -10.834 3.836 1.00 1.00 H new ATOM 0 HG21 VAL A 24 9.010 -13.524 2.795 1.00 1.00 H new ATOM 0 HG22 VAL A 24 8.141 -11.975 2.698 1.00 1.00 H new ATOM 0 HG23 VAL A 24 8.423 -12.930 1.224 1.00 1.00 H new ATOM 381 N VAL A 25 7.672 -9.758 1.141 1.00 1.00 N ATOM 382 CA VAL A 25 6.547 -8.974 1.655 1.00 1.00 C ATOM 383 C VAL A 25 5.366 -9.878 1.991 1.00 1.00 C ATOM 384 O VAL A 25 5.056 -10.812 1.249 1.00 1.00 O ATOM 385 CB VAL A 25 6.119 -7.944 0.614 1.00 1.00 C ATOM 386 CG1 VAL A 25 5.722 -8.663 -0.677 1.00 1.00 C ATOM 387 CG2 VAL A 25 4.924 -7.152 1.149 1.00 1.00 C ATOM 0 H VAL A 25 7.472 -10.261 0.276 1.00 1.00 H new ATOM 0 HA VAL A 25 6.868 -8.467 2.565 1.00 1.00 H new ATOM 0 HB VAL A 25 6.945 -7.262 0.410 1.00 1.00 H new ATOM 0 HG11 VAL A 25 5.416 -7.929 -1.423 1.00 1.00 H new ATOM 0 HG12 VAL A 25 6.573 -9.230 -1.054 1.00 1.00 H new ATOM 0 HG13 VAL A 25 4.894 -9.343 -0.475 1.00 1.00 H new ATOM 0 HG21 VAL A 25 4.615 -6.415 0.408 1.00 1.00 H new ATOM 0 HG22 VAL A 25 4.097 -7.833 1.350 1.00 1.00 H new ATOM 0 HG23 VAL A 25 5.208 -6.643 2.070 1.00 1.00 H new ATOM 397 N THR A 26 4.705 -9.590 3.110 1.00 1.00 N ATOM 398 CA THR A 26 3.544 -10.370 3.545 1.00 1.00 C ATOM 399 C THR A 26 2.455 -9.443 4.082 1.00 1.00 C ATOM 400 O THR A 26 2.726 -8.309 4.479 1.00 1.00 O ATOM 401 CB THR A 26 3.962 -11.384 4.626 1.00 1.00 C ATOM 402 OG1 THR A 26 4.969 -10.811 5.448 1.00 1.00 O ATOM 403 CG2 THR A 26 4.505 -12.655 3.968 1.00 1.00 C ATOM 0 H THR A 26 4.952 -8.822 3.734 1.00 1.00 H new ATOM 0 HA THR A 26 3.146 -10.914 2.688 1.00 1.00 H new ATOM 0 HB THR A 26 3.093 -11.638 5.233 1.00 1.00 H new ATOM 0 HG1 THR A 26 5.234 -11.455 6.137 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.798 -13.367 4.739 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.732 -13.098 3.340 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.372 -12.406 3.356 1.00 1.00 H new ATOM 411 N ALA A 27 1.225 -9.940 4.091 1.00 1.00 N ATOM 412 CA ALA A 27 0.098 -9.169 4.578 1.00 1.00 C ATOM 413 C ALA A 27 0.327 -8.761 6.031 1.00 1.00 C ATOM 414 O ALA A 27 -0.196 -7.747 6.494 1.00 1.00 O ATOM 415 CB ALA A 27 -1.175 -10.014 4.454 1.00 1.00 C ATOM 0 H ALA A 27 0.986 -10.876 3.765 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.010 -8.262 3.983 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.028 -9.442 4.818 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.335 -10.279 3.409 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -1.068 -10.923 5.047 1.00 1.00 H new ATOM 421 N ASP A 28 1.107 -9.565 6.744 1.00 1.00 N ATOM 422 CA ASP A 28 1.400 -9.289 8.148 1.00 1.00 C ATOM 423 C ASP A 28 2.618 -8.382 8.278 1.00 1.00 C ATOM 424 O ASP A 28 2.929 -7.899 9.367 1.00 1.00 O ATOM 425 CB ASP A 28 1.664 -10.598 8.890 1.00 1.00 C ATOM 426 CG ASP A 28 1.617 -10.361 10.396 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.550 -9.209 10.791 1.00 1.00 O ATOM 428 OD2 ASP A 28 1.644 -11.334 11.130 1.00 1.00 O ATOM 0 H ASP A 28 1.546 -10.409 6.377 1.00 1.00 H new ATOM 0 HA ASP A 28 0.538 -8.785 8.584 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.920 -11.343 8.607 1.00 1.00 H new ATOM 0 HB3 ASP A 28 2.638 -10.997 8.606 1.00 1.00 H new ATOM 433 N SER A 29 3.306 -8.155 7.165 1.00 1.00 N ATOM 434 CA SER A 29 4.489 -7.304 7.178 1.00 1.00 C ATOM 435 C SER A 29 4.091 -5.843 7.344 1.00 1.00 C ATOM 436 O SER A 29 3.093 -5.394 6.779 1.00 1.00 O ATOM 437 CB SER A 29 5.267 -7.471 5.869 1.00 1.00 C ATOM 438 OG SER A 29 4.725 -6.594 4.890 1.00 1.00 O ATOM 0 H SER A 29 3.069 -8.543 6.252 1.00 1.00 H new ATOM 0 HA SER A 29 5.118 -7.600 8.018 1.00 1.00 H new ATOM 0 HB2 SER A 29 6.322 -7.250 6.028 1.00 1.00 H new ATOM 0 HB3 SER A 29 5.206 -8.503 5.524 1.00 1.00 H new ATOM 0 HG SER A 29 3.982 -7.037 4.429 1.00 1.00 H new ATOM 444 N GLU A 30 4.884 -5.103 8.114 1.00 1.00 N ATOM 445 CA GLU A 30 4.620 -3.685 8.349 1.00 1.00 C ATOM 446 C GLU A 30 5.425 -2.833 7.374 1.00 1.00 C ATOM 447 O GLU A 30 6.559 -3.169 7.037 1.00 1.00 O ATOM 448 CB GLU A 30 4.991 -3.316 9.787 1.00 1.00 C ATOM 449 CG GLU A 30 4.019 -3.995 10.753 1.00 1.00 C ATOM 450 CD GLU A 30 4.460 -3.757 12.194 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.452 -3.074 12.384 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.798 -4.264 13.084 1.00 1.00 O ATOM 0 H GLU A 30 5.714 -5.461 8.586 1.00 1.00 H new ATOM 0 HA GLU A 30 3.558 -3.495 8.193 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.013 -3.629 10.002 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.955 -2.234 9.917 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.013 -3.604 10.603 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.979 -5.065 10.549 1.00 1.00 H new ATOM 459 N PHE A 31 4.833 -1.732 6.927 1.00 1.00 N ATOM 460 CA PHE A 31 5.507 -0.847 5.989 1.00 1.00 C ATOM 461 C PHE A 31 6.853 -0.414 6.551 1.00 1.00 C ATOM 462 O PHE A 31 7.848 -0.349 5.828 1.00 1.00 O ATOM 463 CB PHE A 31 4.637 0.387 5.715 1.00 1.00 C ATOM 464 CG PHE A 31 3.488 0.008 4.807 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.706 -0.127 3.431 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.207 -0.206 5.336 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.646 -0.474 2.587 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.150 -0.554 4.486 1.00 1.00 C ATOM 469 CZ PHE A 31 1.370 -0.687 3.113 1.00 1.00 C ATOM 0 H PHE A 31 3.896 -1.434 7.197 1.00 1.00 H new ATOM 0 HA PHE A 31 5.670 -1.384 5.055 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.255 0.790 6.653 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.236 1.171 5.252 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.692 0.037 3.021 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.036 -0.103 6.397 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.815 -0.578 1.525 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.163 -0.720 4.893 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.554 -0.954 2.458 1.00 1.00 H new ATOM 479 N SER A 32 6.883 -0.120 7.842 1.00 1.00 N ATOM 480 CA SER A 32 8.121 0.301 8.480 1.00 1.00 C ATOM 481 C SER A 32 9.156 -0.825 8.473 1.00 1.00 C ATOM 482 O SER A 32 10.350 -0.569 8.339 1.00 1.00 O ATOM 483 CB SER A 32 7.849 0.742 9.916 1.00 1.00 C ATOM 484 OG SER A 32 7.273 -0.339 10.637 1.00 1.00 O ATOM 0 H SER A 32 6.075 -0.164 8.462 1.00 1.00 H new ATOM 0 HA SER A 32 8.523 1.141 7.913 1.00 1.00 H new ATOM 0 HB2 SER A 32 8.776 1.060 10.393 1.00 1.00 H new ATOM 0 HB3 SER A 32 7.176 1.600 9.924 1.00 1.00 H new ATOM 0 HG SER A 32 7.098 -0.060 11.560 1.00 1.00 H new ATOM 490 N LYS A 33 8.708 -2.070 8.618 1.00 1.00 N ATOM 491 CA LYS A 33 9.599 -3.188 8.624 1.00 1.00 C ATOM 492 C LYS A 33 10.270 -3.347 7.262 1.00 1.00 C ATOM 493 O LYS A 33 11.442 -3.714 7.174 1.00 1.00 O ATOM 494 CB LYS A 33 8.778 -4.424 8.953 1.00 1.00 C ATOM 495 CG LYS A 33 9.690 -5.634 9.115 1.00 1.00 C ATOM 496 CD LYS A 33 10.199 -5.742 10.569 1.00 1.00 C ATOM 497 CE LYS A 33 9.219 -6.574 11.403 1.00 1.00 C ATOM 498 NZ LYS A 33 9.599 -6.501 12.842 1.00 1.00 N ATOM 0 H LYS A 33 7.724 -2.313 8.732 1.00 1.00 H new ATOM 0 HA LYS A 33 10.386 -3.041 9.363 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.213 -4.260 9.870 1.00 1.00 H new ATOM 0 HB3 LYS A 33 8.053 -4.609 8.160 1.00 1.00 H new ATOM 0 HG2 LYS A 33 9.150 -6.542 8.845 1.00 1.00 H new ATOM 0 HG3 LYS A 33 10.536 -5.552 8.433 1.00 1.00 H new ATOM 0 HD2 LYS A 33 11.186 -6.203 10.585 1.00 1.00 H new ATOM 0 HD3 LYS A 33 10.305 -4.747 11.001 1.00 1.00 H new ATOM 0 HE2 LYS A 33 8.203 -6.203 11.266 1.00 1.00 H new ATOM 0 HE3 LYS A 33 9.228 -7.611 11.066 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 8.933 -7.066 13.406 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 10.562 -6.875 12.966 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 9.568 -5.511 13.159 1.00 1.00 H new ATOM 512 N LEU A 34 9.514 -3.092 6.203 1.00 1.00 N ATOM 513 CA LEU A 34 10.045 -3.233 4.854 1.00 1.00 C ATOM 514 C LEU A 34 11.087 -2.156 4.580 1.00 1.00 C ATOM 515 O LEU A 34 11.753 -2.171 3.545 1.00 1.00 O ATOM 516 CB LEU A 34 8.911 -3.132 3.835 1.00 1.00 C ATOM 517 CG LEU A 34 7.858 -4.214 4.107 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.704 -4.050 3.113 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.476 -5.617 3.958 1.00 1.00 C ATOM 0 H LEU A 34 8.541 -2.789 6.250 1.00 1.00 H new ATOM 0 HA LEU A 34 10.520 -4.210 4.765 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.451 -2.145 3.888 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.307 -3.245 2.826 1.00 1.00 H new ATOM 0 HG LEU A 34 7.489 -4.105 5.127 1.00 1.00 H new ATOM 0 HD11 LEU A 34 5.951 -4.816 3.300 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.256 -3.064 3.235 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.082 -4.154 2.096 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.715 -6.372 4.154 1.00 1.00 H new ATOM 0 HD22 LEU A 34 8.857 -5.741 2.944 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.294 -5.732 4.670 1.00 1.00 H new ATOM 531 N GLY A 35 11.226 -1.227 5.521 1.00 1.00 N ATOM 532 CA GLY A 35 12.196 -0.142 5.386 1.00 1.00 C ATOM 533 C GLY A 35 11.546 1.102 4.798 1.00 1.00 C ATOM 534 O GLY A 35 12.229 1.988 4.287 1.00 1.00 O ATOM 0 H GLY A 35 10.682 -1.202 6.383 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.622 0.093 6.361 1.00 1.00 H new ATOM 0 HA3 GLY A 35 13.019 -0.463 4.747 1.00 1.00 H new ATOM 538 N ALA A 36 10.220 1.165 4.877 1.00 1.00 N ATOM 539 CA ALA A 36 9.490 2.311 4.352 1.00 1.00 C ATOM 540 C ALA A 36 9.575 3.484 5.324 1.00 1.00 C ATOM 541 O ALA A 36 8.974 3.455 6.399 1.00 1.00 O ATOM 542 CB ALA A 36 8.023 1.936 4.126 1.00 1.00 C ATOM 0 H ALA A 36 9.635 0.442 5.296 1.00 1.00 H new ATOM 0 HA ALA A 36 9.938 2.605 3.403 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.483 2.798 3.733 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.963 1.114 3.412 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.576 1.628 5.071 1.00 1.00 H new ATOM 548 N ASP A 37 10.323 4.514 4.938 1.00 1.00 N ATOM 549 CA ASP A 37 10.482 5.696 5.781 1.00 1.00 C ATOM 550 C ASP A 37 9.391 6.715 5.476 1.00 1.00 C ATOM 551 O ASP A 37 8.597 6.532 4.554 1.00 1.00 O ATOM 552 CB ASP A 37 11.853 6.328 5.545 1.00 1.00 C ATOM 553 CG ASP A 37 12.948 5.325 5.890 1.00 1.00 C ATOM 554 OD1 ASP A 37 12.690 4.450 6.700 1.00 1.00 O ATOM 555 OD2 ASP A 37 14.030 5.445 5.337 1.00 1.00 O ATOM 0 H ASP A 37 10.826 4.555 4.052 1.00 1.00 H new ATOM 0 HA ASP A 37 10.401 5.390 6.824 1.00 1.00 H new ATOM 0 HB2 ASP A 37 11.946 6.639 4.505 1.00 1.00 H new ATOM 0 HB3 ASP A 37 11.961 7.224 6.157 1.00 1.00 H new ATOM 560 N SER A 38 9.363 7.790 6.253 1.00 1.00 N ATOM 561 CA SER A 38 8.365 8.836 6.060 1.00 1.00 C ATOM 562 C SER A 38 8.478 9.431 4.661 1.00 1.00 C ATOM 563 O SER A 38 7.477 9.773 4.033 1.00 1.00 O ATOM 564 CB SER A 38 8.556 9.938 7.102 1.00 1.00 C ATOM 0 H SER A 38 10.015 7.961 7.018 1.00 1.00 H new ATOM 0 HA SER A 38 7.375 8.394 6.176 1.00 1.00 H new ATOM 569 N LEU A 39 9.707 9.552 4.181 1.00 1.00 N ATOM 570 CA LEU A 39 9.949 10.101 2.854 1.00 1.00 C ATOM 571 C LEU A 39 9.439 9.155 1.775 1.00 1.00 C ATOM 572 O LEU A 39 8.996 9.595 0.720 1.00 1.00 O ATOM 573 CB LEU A 39 11.444 10.348 2.652 1.00 1.00 C ATOM 574 CG LEU A 39 11.986 11.193 3.809 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.494 11.387 3.629 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.284 12.562 3.831 1.00 1.00 C ATOM 0 H LEU A 39 10.549 9.279 4.688 1.00 1.00 H new ATOM 0 HA LEU A 39 9.411 11.045 2.774 1.00 1.00 H new ATOM 0 HB2 LEU A 39 11.976 9.398 2.602 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.614 10.859 1.704 1.00 1.00 H new ATOM 0 HG LEU A 39 11.794 10.682 4.753 1.00 1.00 H new ATOM 0 HD11 LEU A 39 13.884 11.988 4.450 1.00 1.00 H new ATOM 0 HD12 LEU A 39 13.988 10.415 3.624 1.00 1.00 H new ATOM 0 HD13 LEU A 39 13.685 11.896 2.684 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.674 13.158 4.656 1.00 1.00 H new ATOM 0 HD22 LEU A 39 11.468 13.081 2.890 1.00 1.00 H new ATOM 0 HD23 LEU A 39 10.211 12.419 3.962 1.00 1.00 H new ATOM 588 N ASP A 40 9.526 7.855 2.034 1.00 1.00 N ATOM 589 CA ASP A 40 9.077 6.854 1.068 1.00 1.00 C ATOM 590 C ASP A 40 7.569 6.653 1.155 1.00 1.00 C ATOM 591 O ASP A 40 6.898 6.481 0.145 1.00 1.00 O ATOM 592 CB ASP A 40 9.792 5.521 1.324 1.00 1.00 C ATOM 593 CG ASP A 40 9.730 4.646 0.075 1.00 1.00 C ATOM 594 OD1 ASP A 40 8.642 4.467 -0.447 1.00 1.00 O ATOM 595 OD2 ASP A 40 10.773 4.169 -0.342 1.00 1.00 O ATOM 0 H ASP A 40 9.901 7.469 2.900 1.00 1.00 H new ATOM 0 HA ASP A 40 9.322 7.211 0.068 1.00 1.00 H new ATOM 0 HB2 ASP A 40 10.831 5.703 1.599 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.326 5.004 2.163 1.00 1.00 H new ATOM 600 N THR A 41 7.051 6.662 2.377 1.00 1.00 N ATOM 601 CA THR A 41 5.626 6.447 2.592 1.00 1.00 C ATOM 602 C THR A 41 4.797 7.277 1.617 1.00 1.00 C ATOM 603 O THR A 41 3.779 6.811 1.101 1.00 1.00 O ATOM 604 CB THR A 41 5.267 6.844 4.029 1.00 1.00 C ATOM 605 OG1 THR A 41 5.955 8.034 4.373 1.00 1.00 O ATOM 606 CG2 THR A 41 5.649 5.728 5.005 1.00 1.00 C ATOM 0 H THR A 41 7.592 6.815 3.228 1.00 1.00 H new ATOM 0 HA THR A 41 5.404 5.393 2.425 1.00 1.00 H new ATOM 0 HB THR A 41 4.191 7.008 4.092 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.363 8.420 3.570 1.00 1.00 H new ATOM 0 HG21 THR A 41 5.387 6.027 6.020 1.00 1.00 H new ATOM 0 HG22 THR A 41 5.110 4.817 4.745 1.00 1.00 H new ATOM 0 HG23 THR A 41 6.722 5.545 4.946 1.00 1.00 H new ATOM 614 N VAL A 42 5.237 8.496 1.361 1.00 1.00 N ATOM 615 CA VAL A 42 4.525 9.370 0.437 1.00 1.00 C ATOM 616 C VAL A 42 4.567 8.791 -0.977 1.00 1.00 C ATOM 617 O VAL A 42 3.605 8.898 -1.738 1.00 1.00 O ATOM 618 CB VAL A 42 5.144 10.778 0.458 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.425 10.803 -0.383 1.00 1.00 C ATOM 620 CG2 VAL A 42 4.144 11.789 -0.113 1.00 1.00 C ATOM 0 H VAL A 42 6.076 8.903 1.774 1.00 1.00 H new ATOM 0 HA VAL A 42 3.484 9.441 0.752 1.00 1.00 H new ATOM 0 HB VAL A 42 5.385 11.042 1.488 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.855 11.804 -0.361 1.00 1.00 H new ATOM 0 HG12 VAL A 42 7.142 10.091 0.025 1.00 1.00 H new ATOM 0 HG13 VAL A 42 6.190 10.531 -1.412 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.585 12.786 -0.097 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.898 11.517 -1.140 1.00 1.00 H new ATOM 0 HG23 VAL A 42 3.237 11.784 0.491 1.00 1.00 H new ATOM 630 N GLU A 43 5.698 8.186 -1.320 1.00 1.00 N ATOM 631 CA GLU A 43 5.869 7.597 -2.637 1.00 1.00 C ATOM 632 C GLU A 43 4.988 6.361 -2.797 1.00 1.00 C ATOM 633 O GLU A 43 4.442 6.111 -3.872 1.00 1.00 O ATOM 634 CB GLU A 43 7.337 7.217 -2.851 1.00 1.00 C ATOM 635 CG GLU A 43 8.190 8.481 -2.965 1.00 1.00 C ATOM 636 CD GLU A 43 9.660 8.105 -3.122 1.00 1.00 C ATOM 637 OE1 GLU A 43 9.949 6.921 -3.137 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.474 9.008 -3.221 1.00 1.00 O ATOM 0 H GLU A 43 6.506 8.092 -0.705 1.00 1.00 H new ATOM 0 HA GLU A 43 5.572 8.333 -3.384 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.688 6.604 -2.021 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.438 6.617 -3.755 1.00 1.00 H new ATOM 0 HG2 GLU A 43 7.864 9.074 -3.820 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.057 9.101 -2.078 1.00 1.00 H new ATOM 645 N ILE A 44 4.866 5.584 -1.725 1.00 1.00 N ATOM 646 CA ILE A 44 4.060 4.370 -1.766 1.00 1.00 C ATOM 647 C ILE A 44 2.604 4.699 -2.077 1.00 1.00 C ATOM 648 O ILE A 44 2.003 4.110 -2.975 1.00 1.00 O ATOM 649 CB ILE A 44 4.129 3.660 -0.410 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.590 3.432 0.000 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.406 2.320 -0.492 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.359 2.690 -1.096 1.00 1.00 C ATOM 0 H ILE A 44 5.310 5.771 -0.826 1.00 1.00 H new ATOM 0 HA ILE A 44 4.455 3.723 -2.550 1.00 1.00 H new ATOM 0 HB ILE A 44 3.647 4.289 0.338 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.069 4.391 0.200 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.626 2.858 0.926 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.458 1.819 0.475 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.362 2.485 -0.760 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.880 1.696 -1.250 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.391 2.542 -0.779 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.892 1.722 -1.276 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.342 3.278 -2.014 1.00 1.00 H new ATOM 664 N VAL A 45 2.045 5.648 -1.338 1.00 1.00 N ATOM 665 CA VAL A 45 0.664 6.048 -1.557 1.00 1.00 C ATOM 666 C VAL A 45 0.519 6.760 -2.895 1.00 1.00 C ATOM 667 O VAL A 45 -0.465 6.573 -3.606 1.00 1.00 O ATOM 668 CB VAL A 45 0.195 6.965 -0.425 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.110 8.183 -0.343 1.00 1.00 C ATOM 670 CG2 VAL A 45 -1.236 7.424 -0.700 1.00 1.00 C ATOM 0 H VAL A 45 2.522 6.150 -0.589 1.00 1.00 H new ATOM 0 HA VAL A 45 0.044 5.152 -1.570 1.00 1.00 H new ATOM 0 HB VAL A 45 0.228 6.420 0.519 1.00 1.00 H new ATOM 0 HG11 VAL A 45 0.776 8.836 0.463 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.132 7.858 -0.147 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.077 8.727 -1.287 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -1.570 8.077 0.106 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -1.269 7.967 -1.644 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -1.892 6.555 -0.758 1.00 1.00 H new ATOM 680 N MET A 46 1.502 7.587 -3.232 1.00 1.00 N ATOM 681 CA MET A 46 1.457 8.331 -4.484 1.00 1.00 C ATOM 682 C MET A 46 1.384 7.381 -5.675 1.00 1.00 C ATOM 683 O MET A 46 0.551 7.551 -6.565 1.00 1.00 O ATOM 684 CB MET A 46 2.701 9.214 -4.604 1.00 1.00 C ATOM 685 CG MET A 46 2.622 10.058 -5.880 1.00 1.00 C ATOM 686 SD MET A 46 4.088 11.116 -5.994 1.00 1.00 S ATOM 687 CE MET A 46 3.758 12.144 -4.541 1.00 1.00 C ATOM 0 H MET A 46 2.331 7.758 -2.663 1.00 1.00 H new ATOM 0 HA MET A 46 0.564 8.956 -4.484 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.782 9.864 -3.733 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.597 8.594 -4.623 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.559 9.410 -6.754 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.719 10.669 -5.870 1.00 1.00 H new ATOM 0 HE1 MET A 46 4.209 13.126 -4.680 1.00 1.00 H new ATOM 0 HE2 MET A 46 2.682 12.254 -4.410 1.00 1.00 H new ATOM 0 HE3 MET A 46 4.184 11.671 -3.656 1.00 1.00 H new ATOM 697 N ASN A 47 2.257 6.381 -5.689 1.00 1.00 N ATOM 698 CA ASN A 47 2.273 5.417 -6.781 1.00 1.00 C ATOM 699 C ASN A 47 0.972 4.620 -6.815 1.00 1.00 C ATOM 700 O ASN A 47 0.416 4.367 -7.884 1.00 1.00 O ATOM 701 CB ASN A 47 3.468 4.468 -6.609 1.00 1.00 C ATOM 702 CG ASN A 47 4.746 5.136 -7.109 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.717 4.456 -7.433 1.00 1.00 O ATOM 704 ND2 ASN A 47 4.802 6.437 -7.191 1.00 1.00 N ATOM 0 H ASN A 47 2.956 6.218 -4.964 1.00 1.00 H new ATOM 0 HA ASN A 47 2.369 5.955 -7.724 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.578 4.196 -5.559 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.291 3.545 -7.161 1.00 1.00 H new ATOM 0 HD21 ASN A 47 5.652 6.891 -7.524 1.00 1.00 H new ATOM 0 HD22 ASN A 47 3.995 7.000 -6.922 1.00 1.00 H new ATOM 711 N LEU A 48 0.498 4.217 -5.642 1.00 1.00 N ATOM 712 CA LEU A 48 -0.731 3.441 -5.558 1.00 1.00 C ATOM 713 C LEU A 48 -1.921 4.268 -6.035 1.00 1.00 C ATOM 714 O LEU A 48 -2.785 3.773 -6.756 1.00 1.00 O ATOM 715 CB LEU A 48 -0.953 2.980 -4.112 1.00 1.00 C ATOM 716 CG LEU A 48 0.115 1.947 -3.710 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.184 1.855 -2.184 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.244 0.562 -4.259 1.00 1.00 C ATOM 0 H LEU A 48 0.942 4.413 -4.745 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.640 2.567 -6.204 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -0.911 3.837 -3.440 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -1.947 2.544 -4.011 1.00 1.00 H new ATOM 0 HG LEU A 48 1.074 2.265 -4.120 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.940 1.124 -1.897 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.447 2.829 -1.772 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.786 1.546 -1.794 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.522 -0.156 -3.965 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.208 0.250 -3.856 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.302 0.606 -5.347 1.00 1.00 H new ATOM 730 N GLU A 49 -1.961 5.530 -5.641 1.00 1.00 N ATOM 731 CA GLU A 49 -3.053 6.397 -6.051 1.00 1.00 C ATOM 732 C GLU A 49 -3.066 6.552 -7.566 1.00 1.00 C ATOM 733 O GLU A 49 -4.125 6.582 -8.193 1.00 1.00 O ATOM 734 CB GLU A 49 -2.909 7.765 -5.380 1.00 1.00 C ATOM 735 CG GLU A 49 -3.313 7.661 -3.906 1.00 1.00 C ATOM 736 CD GLU A 49 -3.033 8.979 -3.196 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.515 9.877 -3.842 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.335 9.073 -2.018 1.00 1.00 O ATOM 0 H GLU A 49 -1.261 5.972 -5.046 1.00 1.00 H new ATOM 0 HA GLU A 49 -3.996 5.947 -5.742 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.880 8.114 -5.461 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.536 8.498 -5.888 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.372 7.413 -3.827 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.760 6.854 -3.425 1.00 1.00 H new ATOM 745 N GLU A 50 -1.880 6.642 -8.144 1.00 1.00 N ATOM 746 CA GLU A 50 -1.750 6.783 -9.587 1.00 1.00 C ATOM 747 C GLU A 50 -2.040 5.462 -10.297 1.00 1.00 C ATOM 748 O GLU A 50 -2.655 5.446 -11.363 1.00 1.00 O ATOM 749 CB GLU A 50 -0.335 7.254 -9.943 1.00 1.00 C ATOM 750 CG GLU A 50 -0.124 8.682 -9.430 1.00 1.00 C ATOM 751 CD GLU A 50 -1.012 9.655 -10.201 1.00 1.00 C ATOM 752 OE1 GLU A 50 -1.419 9.314 -11.298 1.00 1.00 O ATOM 753 OE2 GLU A 50 -1.265 10.731 -9.683 1.00 1.00 O ATOM 0 H GLU A 50 -0.994 6.620 -7.639 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.478 7.523 -9.920 1.00 1.00 H new ATOM 0 HB2 GLU A 50 0.404 6.585 -9.501 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.190 7.220 -11.023 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.355 8.732 -8.366 1.00 1.00 H new ATOM 0 HG3 GLU A 50 0.922 8.966 -9.542 1.00 1.00 H new ATOM 760 N GLU A 51 -1.585 4.358 -9.709 1.00 1.00 N ATOM 761 CA GLU A 51 -1.799 3.049 -10.312 1.00 1.00 C ATOM 762 C GLU A 51 -3.265 2.646 -10.230 1.00 1.00 C ATOM 763 O GLU A 51 -3.828 2.115 -11.187 1.00 1.00 O ATOM 764 CB GLU A 51 -0.933 2.007 -9.598 1.00 1.00 C ATOM 765 CG GLU A 51 -0.997 0.675 -10.352 1.00 1.00 C ATOM 766 CD GLU A 51 -0.272 0.799 -11.688 1.00 1.00 C ATOM 767 OE1 GLU A 51 0.385 1.807 -11.892 1.00 1.00 O ATOM 768 OE2 GLU A 51 -0.379 -0.118 -12.484 1.00 1.00 O ATOM 0 H GLU A 51 -1.073 4.344 -8.827 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.517 3.102 -11.364 1.00 1.00 H new ATOM 0 HB2 GLU A 51 0.099 2.355 -9.542 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.280 1.873 -8.573 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -0.542 -0.114 -9.753 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -2.036 0.390 -10.517 1.00 1.00 H new ATOM 775 N PHE A 52 -3.878 2.893 -9.076 1.00 1.00 N ATOM 776 CA PHE A 52 -5.280 2.544 -8.869 1.00 1.00 C ATOM 777 C PHE A 52 -6.182 3.720 -9.231 1.00 1.00 C ATOM 778 O PHE A 52 -7.404 3.589 -9.267 1.00 1.00 O ATOM 779 CB PHE A 52 -5.495 2.150 -7.406 1.00 1.00 C ATOM 780 CG PHE A 52 -4.929 0.771 -7.161 1.00 1.00 C ATOM 781 CD1 PHE A 52 -3.559 0.617 -6.921 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.770 -0.347 -7.165 1.00 1.00 C ATOM 783 CE1 PHE A 52 -3.027 -0.652 -6.687 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.238 -1.621 -6.931 1.00 1.00 C ATOM 785 CZ PHE A 52 -3.866 -1.773 -6.691 1.00 1.00 C ATOM 0 H PHE A 52 -3.428 3.332 -8.273 1.00 1.00 H new ATOM 0 HA PHE A 52 -5.536 1.703 -9.514 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.012 2.874 -6.750 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -6.559 2.165 -7.168 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -2.912 1.482 -6.917 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -6.828 -0.228 -7.348 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -1.969 -0.769 -6.503 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -5.885 -2.486 -6.936 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.455 -2.755 -6.509 1.00 1.00 H new ATOM 795 N GLY A 53 -5.569 4.865 -9.512 1.00 1.00 N ATOM 796 CA GLY A 53 -6.330 6.051 -9.885 1.00 1.00 C ATOM 797 C GLY A 53 -7.354 6.407 -8.813 1.00 1.00 C ATOM 798 O GLY A 53 -8.528 6.623 -9.111 1.00 1.00 O ATOM 0 H GLY A 53 -4.558 4.996 -9.489 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.651 6.890 -10.036 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -6.838 5.877 -10.834 1.00 1.00 H new ATOM 802 N ILE A 54 -6.897 6.463 -7.563 1.00 1.00 N ATOM 803 CA ILE A 54 -7.773 6.794 -6.432 1.00 1.00 C ATOM 804 C ILE A 54 -7.215 7.977 -5.648 1.00 1.00 C ATOM 805 O ILE A 54 -6.045 8.332 -5.792 1.00 1.00 O ATOM 806 CB ILE A 54 -7.911 5.583 -5.506 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.518 5.133 -5.034 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.593 4.437 -6.258 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.641 4.068 -3.934 1.00 1.00 C ATOM 0 H ILE A 54 -5.927 6.284 -7.304 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.753 7.065 -6.824 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.514 5.857 -4.641 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -5.954 4.731 -5.876 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -5.960 5.991 -4.657 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.691 3.575 -5.597 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.582 4.756 -6.587 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -7.993 4.163 -7.125 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.646 3.761 -3.612 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.185 4.483 -3.085 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.179 3.204 -4.323 1.00 1.00 H new ATOM 821 N ASN A 55 -8.062 8.581 -4.817 1.00 1.00 N ATOM 822 CA ASN A 55 -7.655 9.728 -4.002 1.00 1.00 C ATOM 823 C ASN A 55 -7.993 9.485 -2.534 1.00 1.00 C ATOM 824 O ASN A 55 -9.156 9.294 -2.180 1.00 1.00 O ATOM 825 CB ASN A 55 -8.376 10.983 -4.495 1.00 1.00 C ATOM 826 CG ASN A 55 -8.404 10.997 -6.018 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.004 10.029 -6.657 1.00 1.00 O flip ATOM 828 ND2 ASN A 55 -7.862 11.909 -6.644 1.00 1.00 N flip ATOM 0 H ASN A 55 -9.033 8.297 -4.689 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.577 9.863 -4.094 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -9.393 11.007 -4.103 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.870 11.874 -4.123 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -7.394 12.664 -6.143 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -7.881 11.909 -7.664 1.00 1.00 H new ATOM 835 N VAL A 56 -6.969 9.498 -1.684 1.00 1.00 N ATOM 836 CA VAL A 56 -7.164 9.284 -0.250 1.00 1.00 C ATOM 837 C VAL A 56 -6.237 10.196 0.549 1.00 1.00 C ATOM 838 O VAL A 56 -5.068 10.370 0.203 1.00 1.00 O ATOM 839 CB VAL A 56 -6.884 7.820 0.103 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.520 7.411 -0.457 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.888 7.643 1.625 1.00 1.00 C ATOM 0 H VAL A 56 -6.000 9.654 -1.960 1.00 1.00 H new ATOM 0 HA VAL A 56 -8.197 9.521 0.003 1.00 1.00 H new ATOM 0 HB VAL A 56 -7.660 7.190 -0.333 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -5.321 6.369 -0.206 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -5.521 7.529 -1.541 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -4.745 8.043 -0.024 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.688 6.600 1.871 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -6.117 8.274 2.067 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -7.862 7.929 2.022 1.00 1.00 H new ATOM 851 N ASP A 57 -6.769 10.771 1.622 1.00 1.00 N ATOM 852 CA ASP A 57 -5.985 11.657 2.469 1.00 1.00 C ATOM 853 C ASP A 57 -4.945 10.859 3.249 1.00 1.00 C ATOM 854 O ASP A 57 -5.208 9.737 3.681 1.00 1.00 O ATOM 855 CB ASP A 57 -6.901 12.396 3.445 1.00 1.00 C ATOM 856 CG ASP A 57 -6.108 13.448 4.213 1.00 1.00 C ATOM 857 OD1 ASP A 57 -4.900 13.487 4.052 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.721 14.202 4.950 1.00 1.00 O ATOM 0 H ASP A 57 -7.735 10.639 1.923 1.00 1.00 H new ATOM 0 HA ASP A 57 -5.475 12.382 1.835 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -7.718 12.870 2.901 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -7.350 11.688 4.141 1.00 1.00 H new ATOM 863 N GLU A 58 -3.768 11.446 3.428 1.00 1.00 N ATOM 864 CA GLU A 58 -2.697 10.779 4.161 1.00 1.00 C ATOM 865 C GLU A 58 -3.085 10.597 5.626 1.00 1.00 C ATOM 866 O GLU A 58 -2.711 9.607 6.257 1.00 1.00 O ATOM 867 CB GLU A 58 -1.407 11.603 4.068 1.00 1.00 C ATOM 868 CG GLU A 58 -0.204 10.747 4.482 1.00 1.00 C ATOM 869 CD GLU A 58 -0.243 10.479 5.983 1.00 1.00 C ATOM 870 OE1 GLU A 58 -0.689 11.353 6.708 1.00 1.00 O ATOM 871 OE2 GLU A 58 0.171 9.404 6.384 1.00 1.00 O ATOM 0 H GLU A 58 -3.531 12.375 3.079 1.00 1.00 H new ATOM 0 HA GLU A 58 -2.532 9.798 3.716 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -1.271 11.967 3.049 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -1.479 12.479 4.712 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -0.214 9.804 3.936 1.00 1.00 H new ATOM 0 HG3 GLU A 58 0.723 11.257 4.220 1.00 1.00 H new ATOM 878 N ASP A 59 -3.832 11.557 6.159 1.00 1.00 N ATOM 879 CA ASP A 59 -4.263 11.494 7.551 1.00 1.00 C ATOM 880 C ASP A 59 -5.175 10.292 7.772 1.00 1.00 C ATOM 881 O ASP A 59 -5.200 9.710 8.856 1.00 1.00 O ATOM 882 CB ASP A 59 -5.003 12.779 7.928 1.00 1.00 C ATOM 883 CG ASP A 59 -4.016 13.936 8.043 1.00 1.00 C ATOM 884 OD1 ASP A 59 -2.825 13.673 8.098 1.00 1.00 O ATOM 885 OD2 ASP A 59 -4.465 15.071 8.074 1.00 1.00 O ATOM 0 H ASP A 59 -4.150 12.383 5.653 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.381 11.388 8.183 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -5.758 13.008 7.176 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -5.527 12.642 8.874 1.00 1.00 H new ATOM 890 N LYS A 60 -5.924 9.925 6.739 1.00 1.00 N ATOM 891 CA LYS A 60 -6.832 8.789 6.835 1.00 1.00 C ATOM 892 C LYS A 60 -6.075 7.476 6.674 1.00 1.00 C ATOM 893 O LYS A 60 -6.599 6.407 6.985 1.00 1.00 O ATOM 894 CB LYS A 60 -7.903 8.887 5.756 1.00 1.00 C ATOM 895 CG LYS A 60 -8.851 10.037 6.097 1.00 1.00 C ATOM 896 CD LYS A 60 -9.861 10.233 4.965 1.00 1.00 C ATOM 897 CE LYS A 60 -10.966 9.169 5.044 1.00 1.00 C ATOM 898 NZ LYS A 60 -12.037 9.497 4.059 1.00 1.00 N ATOM 0 H LYS A 60 -5.921 10.393 5.833 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.298 8.809 7.820 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.442 9.055 4.783 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.456 7.950 5.689 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.374 9.824 7.030 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.283 10.954 6.252 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.300 11.228 5.029 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -9.354 10.170 4.002 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -10.553 8.183 4.834 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.381 9.133 6.051 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.787 8.778 4.110 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -12.437 10.431 4.279 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.635 9.510 3.100 1.00 1.00 H new ATOM 912 N ALA A 61 -4.842 7.564 6.181 1.00 1.00 N ATOM 913 CA ALA A 61 -4.019 6.373 5.974 1.00 1.00 C ATOM 914 C ALA A 61 -3.173 6.080 7.211 1.00 1.00 C ATOM 915 O ALA A 61 -2.244 5.279 7.163 1.00 1.00 O ATOM 916 CB ALA A 61 -3.101 6.569 4.766 1.00 1.00 C ATOM 0 H ALA A 61 -4.392 8.441 5.919 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.684 5.529 5.792 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.493 5.676 4.622 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.704 6.745 3.875 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.450 7.426 4.939 1.00 1.00 H new ATOM 922 N GLN A 62 -3.498 6.742 8.314 1.00 1.00 N ATOM 923 CA GLN A 62 -2.762 6.551 9.561 1.00 1.00 C ATOM 924 C GLN A 62 -3.037 5.170 10.150 1.00 1.00 C ATOM 925 O GLN A 62 -2.137 4.519 10.680 1.00 1.00 O ATOM 926 CB GLN A 62 -3.159 7.628 10.574 1.00 1.00 C ATOM 927 CG GLN A 62 -2.628 8.989 10.117 1.00 1.00 C ATOM 928 CD GLN A 62 -1.105 9.012 10.196 1.00 1.00 C ATOM 929 OE1 GLN A 62 -0.529 8.621 11.212 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.414 9.449 9.179 1.00 1.00 N ATOM 0 H GLN A 62 -4.263 7.414 8.373 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.697 6.631 9.342 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.244 7.665 10.673 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -2.757 7.382 11.557 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -2.950 9.189 9.095 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -3.044 9.779 10.742 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -0.893 9.772 8.338 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.605 9.467 9.225 1.00 1.00 H new ATOM 939 N ASP A 63 -4.288 4.733 10.056 1.00 1.00 N ATOM 940 CA ASP A 63 -4.675 3.433 10.588 1.00 1.00 C ATOM 941 C ASP A 63 -3.965 2.312 9.835 1.00 1.00 C ATOM 942 O ASP A 63 -4.144 1.134 10.143 1.00 1.00 O ATOM 943 CB ASP A 63 -6.190 3.251 10.481 1.00 1.00 C ATOM 944 CG ASP A 63 -6.623 2.014 11.260 1.00 1.00 C ATOM 945 OD1 ASP A 63 -5.814 1.499 12.012 1.00 1.00 O ATOM 946 OD2 ASP A 63 -7.758 1.599 11.090 1.00 1.00 O ATOM 0 H ASP A 63 -5.047 5.256 9.619 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.382 3.389 11.637 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.699 4.133 10.871 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.480 3.152 9.435 1.00 1.00 H new ATOM 951 N ILE A 64 -3.164 2.685 8.840 1.00 1.00 N ATOM 952 CA ILE A 64 -2.439 1.698 8.049 1.00 1.00 C ATOM 953 C ILE A 64 -1.198 1.224 8.795 1.00 1.00 C ATOM 954 O ILE A 64 -0.389 2.031 9.251 1.00 1.00 O ATOM 955 CB ILE A 64 -2.031 2.310 6.709 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.283 2.815 5.977 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.296 1.275 5.855 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.291 1.680 5.738 1.00 1.00 C ATOM 0 H ILE A 64 -3.002 3.654 8.565 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.091 0.842 7.875 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.357 3.148 6.886 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.754 3.605 6.562 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -2.995 3.255 5.022 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.011 1.724 4.904 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.402 0.939 6.380 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -1.951 0.423 5.672 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.165 2.073 5.218 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.827 0.903 5.131 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.598 1.258 6.695 1.00 1.00 H new ATOM 970 N SER A 65 -1.064 -0.094 8.916 1.00 1.00 N ATOM 971 CA SER A 65 0.076 -0.694 9.611 1.00 1.00 C ATOM 972 C SER A 65 0.745 -1.747 8.735 1.00 1.00 C ATOM 973 O SER A 65 1.969 -1.853 8.709 1.00 1.00 O ATOM 974 CB SER A 65 -0.400 -1.340 10.911 1.00 1.00 C ATOM 975 OG SER A 65 -1.087 -0.373 11.695 1.00 1.00 O ATOM 0 H SER A 65 -1.731 -0.769 8.542 1.00 1.00 H new ATOM 0 HA SER A 65 0.801 0.089 9.832 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.058 -2.181 10.692 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.450 -1.736 11.466 1.00 1.00 H new ATOM 0 HG SER A 65 -1.395 -0.786 12.529 1.00 1.00 H new ATOM 981 N THR A 66 -0.067 -2.531 8.019 1.00 1.00 N ATOM 982 CA THR A 66 0.456 -3.584 7.142 1.00 1.00 C ATOM 983 C THR A 66 -0.137 -3.458 5.745 1.00 1.00 C ATOM 984 O THR A 66 -1.013 -2.629 5.506 1.00 1.00 O ATOM 985 CB THR A 66 0.120 -4.961 7.723 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.197 -5.328 7.340 1.00 1.00 O ATOM 987 CG2 THR A 66 0.213 -4.905 9.248 1.00 1.00 C ATOM 0 H THR A 66 -1.084 -2.457 8.029 1.00 1.00 H new ATOM 0 HA THR A 66 1.538 -3.474 7.075 1.00 1.00 H new ATOM 0 HB THR A 66 0.826 -5.699 7.343 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.187 -6.231 6.959 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.026 -5.884 9.663 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.225 -4.624 9.541 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.493 -4.167 9.629 1.00 1.00 H new ATOM 995 N ILE A 67 0.354 -4.279 4.825 1.00 1.00 N ATOM 996 CA ILE A 67 -0.123 -4.238 3.450 1.00 1.00 C ATOM 997 C ILE A 67 -1.628 -4.477 3.397 1.00 1.00 C ATOM 998 O ILE A 67 -2.353 -3.770 2.694 1.00 1.00 O ATOM 999 CB ILE A 67 0.587 -5.314 2.630 1.00 1.00 C ATOM 1000 CG1 ILE A 67 2.112 -5.141 2.733 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.134 -5.246 1.174 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.544 -3.740 2.275 1.00 1.00 C ATOM 0 H ILE A 67 1.077 -4.976 5.005 1.00 1.00 H new ATOM 0 HA ILE A 67 0.093 -3.253 3.037 1.00 1.00 H new ATOM 0 HB ILE A 67 0.325 -6.294 3.029 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.430 -5.304 3.763 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.608 -5.895 2.122 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.646 -6.017 0.597 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -0.943 -5.407 1.120 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.375 -4.266 0.763 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.627 -3.647 2.359 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.246 -3.589 1.237 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.066 -2.988 2.903 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.097 -5.468 4.142 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.521 -5.772 4.164 1.00 1.00 C ATOM 1016 C GLN A 68 -4.319 -4.529 4.559 1.00 1.00 C ATOM 1017 O GLN A 68 -5.378 -4.255 3.994 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.787 -6.922 5.167 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.141 -8.212 4.417 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.558 -8.107 3.871 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.761 -7.540 2.714 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.508 -8.540 4.522 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.521 -6.068 4.732 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.838 -6.084 3.169 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.905 -7.084 5.787 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.602 -6.648 5.837 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.437 -8.377 3.602 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.060 -9.069 5.086 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.347 -8.983 5.427 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.457 -8.456 4.157 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.812 -3.786 5.535 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.501 -2.587 5.991 1.00 1.00 C ATOM 1033 C GLN A 69 -4.688 -1.614 4.833 1.00 1.00 C ATOM 1034 O GLN A 69 -5.764 -1.042 4.657 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.699 -1.913 7.103 1.00 1.00 C ATOM 1036 CG GLN A 69 -3.438 -2.916 8.229 1.00 1.00 C ATOM 1037 CD GLN A 69 -4.757 -3.403 8.813 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -5.601 -2.598 9.206 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -4.982 -4.683 8.895 1.00 1.00 N ATOM 0 H GLN A 69 -2.938 -3.989 6.020 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.479 -2.873 6.377 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -2.754 -1.540 6.708 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.245 -1.052 7.489 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -2.866 -3.762 7.848 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -2.836 -2.450 9.009 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.279 -5.346 8.568 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -5.861 -5.022 9.286 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.637 -1.437 4.041 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.701 -0.539 2.897 1.00 1.00 C ATOM 1050 C ALA A 70 -4.657 -1.089 1.844 1.00 1.00 C ATOM 1051 O ALA A 70 -5.407 -0.339 1.219 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.306 -0.364 2.292 1.00 1.00 C ATOM 0 H ALA A 70 -2.737 -1.900 4.169 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.070 0.430 3.234 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.362 0.309 1.437 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.635 0.056 3.041 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.926 -1.333 1.967 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.629 -2.406 1.653 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.499 -3.046 0.672 1.00 1.00 C ATOM 1060 C ALA A 71 -6.963 -2.914 1.083 1.00 1.00 C ATOM 1061 O ALA A 71 -7.839 -2.728 0.240 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.133 -4.525 0.529 1.00 1.00 C ATOM 0 H ALA A 71 -4.018 -3.046 2.161 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.359 -2.547 -0.287 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.789 -4.993 -0.206 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.098 -4.613 0.200 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.252 -5.024 1.491 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.218 -3.014 2.385 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.579 -2.905 2.902 1.00 1.00 C ATOM 1070 C ASP A 72 -9.151 -1.521 2.609 1.00 1.00 C ATOM 1071 O ASP A 72 -10.323 -1.382 2.259 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.584 -3.154 4.412 1.00 1.00 C ATOM 1073 CG ASP A 72 -8.340 -4.632 4.699 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -8.471 -5.425 3.780 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.029 -4.951 5.836 1.00 1.00 O ATOM 0 H ASP A 72 -6.505 -3.169 3.097 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.199 -3.654 2.409 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.813 -2.550 4.891 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.540 -2.846 4.836 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.319 -0.499 2.758 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.756 0.863 2.495 1.00 1.00 C ATOM 1082 C VAL A 73 -8.864 1.114 0.991 1.00 1.00 C ATOM 1083 O VAL A 73 -9.846 1.686 0.518 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.776 1.858 3.115 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.184 3.286 2.740 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.799 1.703 4.637 1.00 1.00 C ATOM 0 H VAL A 73 -7.348 -0.586 3.057 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.740 1.000 2.944 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.771 1.662 2.740 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.483 3.993 3.184 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.172 3.395 1.656 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.188 3.488 3.114 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.102 2.411 5.085 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.805 1.901 5.008 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.507 0.687 4.904 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.836 0.696 0.250 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.821 0.898 -1.196 1.00 1.00 C ATOM 1098 C ILE A 74 -8.959 0.140 -1.875 1.00 1.00 C ATOM 1099 O ILE A 74 -9.759 0.731 -2.592 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.479 0.419 -1.770 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.356 1.349 -1.298 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.530 0.420 -3.302 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -3.998 0.712 -1.613 1.00 1.00 C ATOM 0 H ILE A 74 -7.014 0.222 0.623 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.954 1.962 -1.389 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.287 -0.595 -1.419 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.439 2.317 -1.792 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.445 1.530 -0.227 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.574 0.079 -3.698 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.322 -0.248 -3.640 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.731 1.430 -3.659 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.199 1.373 -1.277 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -3.917 -0.245 -1.098 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -3.911 0.554 -2.688 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.025 -1.164 -1.641 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.062 -1.989 -2.249 1.00 1.00 C ATOM 1117 C GLU A 75 -11.438 -1.379 -2.021 1.00 1.00 C ATOM 1118 O GLU A 75 -12.329 -1.499 -2.863 1.00 1.00 O ATOM 1119 CB GLU A 75 -10.009 -3.404 -1.659 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.504 -3.386 -0.207 1.00 1.00 C ATOM 1121 CD GLU A 75 -12.031 -3.452 -0.154 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.600 -4.163 -0.964 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -12.603 -2.787 0.694 1.00 1.00 O ATOM 0 H GLU A 75 -8.377 -1.671 -1.038 1.00 1.00 H new ATOM 0 HA GLU A 75 -9.884 -2.039 -3.323 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.625 -4.078 -2.254 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -8.989 -3.786 -1.699 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -10.080 -4.230 0.337 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.157 -2.480 0.289 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.605 -0.727 -0.880 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.880 -0.104 -0.555 1.00 1.00 C ATOM 1132 C GLY A 76 -13.239 0.968 -1.577 1.00 1.00 C ATOM 1133 O GLY A 76 -14.392 1.081 -1.992 1.00 1.00 O ATOM 0 H GLY A 76 -10.882 -0.616 -0.170 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.663 -0.862 -0.527 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.830 0.339 0.440 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.246 1.753 -1.978 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.466 2.815 -2.951 1.00 1.00 C ATOM 1139 C LEU A 77 -12.878 2.233 -4.299 1.00 1.00 C ATOM 1140 O LEU A 77 -13.761 2.764 -4.972 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.192 3.646 -3.109 1.00 1.00 C ATOM 1142 CG LEU A 77 -10.914 4.420 -1.809 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.516 5.041 -1.873 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -11.963 5.532 -1.602 1.00 1.00 C ATOM 0 H LEU A 77 -11.285 1.675 -1.646 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.271 3.455 -2.591 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.349 2.996 -3.344 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.300 4.341 -3.942 1.00 1.00 H new ATOM 0 HG LEU A 77 -10.972 3.726 -0.971 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.319 5.589 -0.952 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.773 4.253 -1.992 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.460 5.724 -2.721 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.748 6.067 -0.677 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.926 6.227 -2.441 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -12.957 5.088 -1.542 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.227 1.145 -4.693 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.533 0.509 -5.965 1.00 1.00 C ATOM 1158 C LEU A 78 -13.983 0.024 -5.984 1.00 1.00 C ATOM 1159 O LEU A 78 -14.683 0.174 -6.984 1.00 1.00 O ATOM 1160 CB LEU A 78 -11.581 -0.678 -6.187 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.235 -0.190 -6.752 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.393 0.298 -8.207 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -9.698 0.945 -5.875 1.00 1.00 C ATOM 0 H LEU A 78 -11.490 0.689 -4.154 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.400 1.236 -6.766 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.418 -1.203 -5.245 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.034 -1.392 -6.875 1.00 1.00 H new ATOM 0 HG LEU A 78 -9.531 -1.022 -6.748 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.428 0.638 -8.584 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.757 -0.521 -8.828 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.106 1.122 -8.239 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.745 1.292 -6.273 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.411 1.769 -5.870 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -9.556 0.582 -4.857 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.423 -0.554 -4.878 1.00 1.00 N ATOM 1176 CA GLU A 79 -15.788 -1.049 -4.785 1.00 1.00 C ATOM 1177 C GLU A 79 -16.779 0.108 -4.804 1.00 1.00 C ATOM 1178 O GLU A 79 -17.930 -0.053 -5.204 1.00 1.00 O ATOM 1179 CB GLU A 79 -15.957 -1.850 -3.500 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.096 -3.115 -3.563 1.00 1.00 C ATOM 1181 CD GLU A 79 -15.602 -4.045 -4.662 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -16.786 -4.337 -4.664 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -14.797 -4.452 -5.485 1.00 1.00 O ATOM 0 H GLU A 79 -13.861 -0.692 -4.038 1.00 1.00 H new ATOM 0 HA GLU A 79 -15.986 -1.691 -5.643 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -15.667 -1.244 -2.642 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.005 -2.118 -3.362 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -14.057 -2.847 -3.754 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -15.121 -3.629 -2.602 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.320 1.274 -4.369 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.169 2.457 -4.335 1.00 1.00 C ATOM 1192 C LYS A 80 -17.667 2.798 -5.734 1.00 1.00 C ATOM 1193 O LYS A 80 -18.746 3.366 -5.899 1.00 1.00 O ATOM 1194 CB LYS A 80 -16.390 3.648 -3.765 1.00 1.00 C ATOM 1195 CG LYS A 80 -17.369 4.746 -3.324 1.00 1.00 C ATOM 1196 CD LYS A 80 -16.608 5.882 -2.616 1.00 1.00 C ATOM 1197 CE LYS A 80 -16.463 5.571 -1.122 1.00 1.00 C ATOM 1198 NZ LYS A 80 -17.814 5.417 -0.517 1.00 1.00 N ATOM 0 H LYS A 80 -15.368 1.426 -4.036 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.026 2.246 -3.696 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -15.784 3.326 -2.918 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -15.705 4.039 -4.517 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -17.901 5.139 -4.191 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -18.119 4.327 -2.653 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -15.623 6.006 -3.066 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -17.140 6.824 -2.749 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -15.884 4.658 -0.984 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -15.918 6.373 -0.623 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -17.804 5.788 0.455 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -18.510 5.945 -1.082 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -18.074 4.410 -0.500 1.00 1.00 H new ATOM 1212 N LYS A 81 -16.865 2.463 -6.736 1.00 1.00 N ATOM 1213 CA LYS A 81 -17.230 2.758 -8.113 1.00 1.00 C ATOM 1214 C LYS A 81 -18.549 2.084 -8.469 1.00 1.00 C ATOM 1215 O LYS A 81 -19.408 2.684 -9.114 1.00 1.00 O ATOM 1216 CB LYS A 81 -16.141 2.247 -9.054 1.00 1.00 C ATOM 1217 CG LYS A 81 -14.815 2.930 -8.721 1.00 1.00 C ATOM 1218 CD LYS A 81 -13.804 2.650 -9.838 1.00 1.00 C ATOM 1219 CE LYS A 81 -13.447 1.161 -9.866 1.00 1.00 C ATOM 1220 NZ LYS A 81 -12.200 0.966 -10.658 1.00 1.00 N ATOM 0 H LYS A 81 -15.967 1.992 -6.623 1.00 1.00 H new ATOM 0 HA LYS A 81 -17.338 3.837 -8.220 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -16.040 1.166 -8.957 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -16.416 2.449 -10.089 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -14.964 4.004 -8.611 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -14.433 2.562 -7.769 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -14.221 2.950 -10.799 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -12.904 3.245 -9.681 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -13.308 0.790 -8.851 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -14.264 0.588 -10.306 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -11.881 -0.020 -10.566 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -12.388 1.178 -11.659 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -11.460 1.604 -10.302 1.00 1.00 H new ATOM 1234 N ALA A 82 -18.704 0.835 -8.045 1.00 1.00 N ATOM 1235 CA ALA A 82 -19.925 0.093 -8.328 1.00 1.00 C ATOM 1236 C ALA A 82 -19.997 -1.173 -7.477 1.00 1.00 C ATOM 1237 O ALA A 82 -19.041 -1.930 -7.493 1.00 1.00 O ATOM 1238 CB ALA A 82 -19.976 -0.272 -9.816 1.00 1.00 C ATOM 1239 OXT ALA A 82 -21.006 -1.362 -6.819 1.00 1.00 O ATOM 0 H ALA A 82 -18.006 0.319 -7.509 1.00 1.00 H new ATOM 0 HA ALA A 82 -20.780 0.722 -8.081 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -20.891 -0.827 -10.023 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -19.960 0.639 -10.415 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -19.113 -0.888 -10.069 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 7.421 10.795 7.090 1.00 1.00 O HETATM 1247 P24 PNS A 101 6.231 10.603 8.160 1.00 1.00 P HETATM 1248 O25 PNS A 101 4.989 11.163 7.580 1.00 1.00 O HETATM 1249 O26 PNS A 101 6.256 9.202 8.638 1.00 1.00 O HETATM 1250 O27 PNS A 101 6.693 11.556 9.373 1.00 1.00 O HETATM 1251 C28 PNS A 101 6.542 11.133 10.719 1.00 1.00 C HETATM 1252 C29 PNS A 101 7.149 12.187 11.652 1.00 1.00 C HETATM 1253 C30 PNS A 101 6.515 13.549 11.385 1.00 1.00 C HETATM 1254 C31 PNS A 101 8.663 12.255 11.411 1.00 1.00 C HETATM 1255 C32 PNS A 101 6.869 11.816 13.102 1.00 1.00 C HETATM 1256 O33 PNS A 101 5.473 11.628 13.251 1.00 1.00 O HETATM 1257 C34 PNS A 101 7.604 10.526 13.463 1.00 1.00 C HETATM 1258 O35 PNS A 101 8.803 10.544 13.736 1.00 1.00 O HETATM 1259 N36 PNS A 101 6.877 9.414 13.456 1.00 1.00 N HETATM 1260 C37 PNS A 101 7.472 8.122 13.782 1.00 1.00 C HETATM 1261 C38 PNS A 101 6.409 7.022 13.739 1.00 1.00 C HETATM 1262 C39 PNS A 101 5.825 6.915 12.335 1.00 1.00 C HETATM 1263 O40 PNS A 101 6.558 6.789 11.354 1.00 1.00 O HETATM 1264 N41 PNS A 101 4.499 6.967 12.246 1.00 1.00 N HETATM 1265 C42 PNS A 101 3.826 6.876 10.956 1.00 1.00 C HETATM 1266 C43 PNS A 101 4.151 5.543 10.281 1.00 1.00 C HETATM 1267 S44 PNS A 101 3.008 5.265 8.933 1.00 1.00 S HETATM 0 H432 PNS A 101 5.175 5.552 9.908 1.00 1.00 H new HETATM 0 H431 PNS A 101 4.082 4.730 11.004 1.00 1.00 H new HETATM 0 H422 PNS A 101 4.138 7.701 10.316 1.00 1.00 H new HETATM 0 H421 PNS A 101 2.749 6.969 11.093 1.00 1.00 H new HETATM 0 H382 PNS A 101 5.617 7.242 14.455 1.00 1.00 H new HETATM 0 H381 PNS A 101 6.848 6.069 14.032 1.00 1.00 H new HETATM 0 H372 PNS A 101 7.924 8.162 14.773 1.00 1.00 H new HETATM 0 H371 PNS A 101 8.271 7.893 13.076 1.00 1.00 H new HETATM 0 H313 PNS A 101 9.103 13.003 12.071 1.00 1.00 H new HETATM 0 H312 PNS A 101 8.854 12.529 10.373 1.00 1.00 H new HETATM 0 H311 PNS A 101 9.108 11.282 11.617 1.00 1.00 H new HETATM 0 H303 PNS A 101 6.953 14.291 12.053 1.00 1.00 H new HETATM 0 H302 PNS A 101 5.441 13.491 11.561 1.00 1.00 H new HETATM 0 H301 PNS A 101 6.698 13.839 10.350 1.00 1.00 H new HETATM 0 H282 PNS A 101 7.034 10.172 10.868 1.00 1.00 H new HETATM 0 H281 PNS A 101 5.487 10.990 10.951 1.00 1.00 H new HETATM 0 H41 PNS A 101 3.943 7.072 13.095 1.00 1.00 H new HETATM 0 H36 PNS A 101 5.886 9.464 13.219 1.00 1.00 H new HETATM 0 H33 PNS A 101 5.273 11.386 14.179 1.00 1.00 H new HETATM 0 H32 PNS A 101 7.216 12.610 13.763 1.00 1.00 H new HETATM 1288 C1 DKA A 102 2.444 3.632 8.735 1.00 1.00 C HETATM 1289 O1 DKA A 102 2.786 2.720 9.452 1.00 1.00 O HETATM 1290 C2 DKA A 102 1.496 3.510 7.580 1.00 1.00 C HETATM 1291 C3 DKA A 102 2.200 3.913 6.283 1.00 1.00 C HETATM 1292 C4 DKA A 102 1.279 3.636 5.094 1.00 1.00 C HETATM 1293 C5 DKA A 102 1.972 4.062 3.795 1.00 1.00 C HETATM 1294 C6 DKA A 102 1.289 3.391 2.599 1.00 1.00 C HETATM 1295 C7 DKA A 102 -0.155 3.890 2.488 1.00 1.00 C HETATM 1296 C8 DKA A 102 -0.744 3.476 1.136 1.00 1.00 C HETATM 1297 C9 DKA A 102 -2.075 4.202 0.912 1.00 1.00 C HETATM 1298 C10 DKA A 102 -3.098 3.753 1.960 1.00 1.00 C HETATM 0 H103 DKA A 102 -3.257 2.678 1.876 1.00 1.00 H new HETATM 0 H102 DKA A 102 -2.725 3.988 2.957 1.00 1.00 H new HETATM 0 H101 DKA A 102 -4.041 4.273 1.794 1.00 1.00 H new HETATM 0 H92 DKA A 102 -1.926 5.280 0.975 1.00 1.00 H new HETATM 0 H91 DKA A 102 -2.450 3.990 -0.089 1.00 1.00 H new HETATM 0 H82 DKA A 102 -0.046 3.718 0.334 1.00 1.00 H new HETATM 0 H81 DKA A 102 -0.898 2.397 1.110 1.00 1.00 H new HETATM 0 H72 DKA A 102 -0.756 3.477 3.299 1.00 1.00 H new HETATM 0 H71 DKA A 102 -0.184 4.975 2.591 1.00 1.00 H new HETATM 0 H62 DKA A 102 1.834 3.616 1.682 1.00 1.00 H new HETATM 0 H61 DKA A 102 1.302 2.308 2.720 1.00 1.00 H new HETATM 0 H52 DKA A 102 1.930 5.146 3.688 1.00 1.00 H new HETATM 0 H51 DKA A 102 3.026 3.785 3.826 1.00 1.00 H new HETATM 0 H42 DKA A 102 1.030 2.576 5.054 1.00 1.00 H new HETATM 0 H41 DKA A 102 0.342 4.180 5.213 1.00 1.00 H new HETATM 0 H32 DKA A 102 2.464 4.970 6.313 1.00 1.00 H new HETATM 0 H31 DKA A 102 3.130 3.355 6.173 1.00 1.00 H new HETATM 0 H22 DKA A 102 1.133 2.485 7.503 1.00 1.00 H new HETATM 0 H21 DKA A 102 0.626 4.145 7.744 1.00 1.00 H new