USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 544 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 CYS SG : rot -38:sc= 0.103 USER MOD Set 1.2: A 17 CYS SG : rot 170:sc= 0.299 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 179:sc= -2.96! (180deg=-3.02!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0468 USER MOD Single : A 19 ASN : amide:sc=-0.00349 X(o=-0.0035,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.05 K(o=1,f=-0.27) USER MOD Single : A 37 ASN : amide:sc= -2.9 K(o=-2.9,f=-1.2) USER MOD Single : A 42 THR OG1 : rot 140:sc= 0 USER MOD Single : A 44 THR OG1 : rot -78:sc= 1.26 USER MOD Single : A 47 TYR OH : rot 59:sc= 1.24 USER MOD Single : A 48 ASN : amide:sc= 0.0788 K(o=0.079,f=-1.4) USER MOD Single : A 50 LYS NZ :NH3+ -119:sc= 1.12 (180deg=0.251) USER MOD Single : A 53 SER OG : rot 180:sc= -0.12 USER MOD Single : A 55 SER OG : rot 180:sc= 0.132 USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.07) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= 1.2 (180deg=1.15) USER MOD Single : A 66 TYR OH : rot 122:sc= 1.01 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= 1.21 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 34 N GLU A 3 3.150 12.619 4.837 1.00 10.00 N ATOM 35 CA GLU A 3 3.064 12.785 3.408 1.00 10.00 C ATOM 36 C GLU A 3 2.005 11.802 2.930 1.00 10.00 C ATOM 37 O GLU A 3 1.772 10.773 3.571 1.00 10.00 O ATOM 38 CB GLU A 3 4.428 12.564 2.740 1.00 10.00 C ATOM 39 CG GLU A 3 4.921 11.107 2.770 1.00 10.00 C ATOM 40 CD GLU A 3 6.340 10.975 2.221 1.00 10.00 C ATOM 41 OE1 GLU A 3 7.031 12.012 2.156 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.722 9.831 1.894 1.00 10.00 O ATOM 0 HA GLU A 3 2.780 13.802 3.136 1.00 10.00 H new ATOM 0 HB2 GLU A 3 4.369 12.894 1.703 1.00 10.00 H new ATOM 0 HB3 GLU A 3 5.167 13.195 3.233 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.892 10.735 3.794 1.00 10.00 H new ATOM 0 HG3 GLU A 3 4.246 10.483 2.185 1.00 10.00 H new ATOM 49 N LYS A 4 1.375 12.162 1.818 1.00 10.00 N ATOM 50 CA LYS A 4 0.489 11.313 1.045 1.00 10.00 C ATOM 51 C LYS A 4 1.323 10.774 -0.114 1.00 10.00 C ATOM 52 O LYS A 4 2.148 11.501 -0.662 1.00 10.00 O ATOM 53 CB LYS A 4 -0.677 12.134 0.481 1.00 10.00 C ATOM 54 CG LYS A 4 -1.454 12.973 1.512 1.00 10.00 C ATOM 55 CD LYS A 4 -1.606 14.390 0.944 1.00 10.00 C ATOM 56 CE LYS A 4 -2.625 15.240 1.712 1.00 10.00 C ATOM 57 NZ LYS A 4 -3.002 16.434 0.926 1.00 10.00 N ATOM 0 H LYS A 4 1.475 13.094 1.417 1.00 10.00 H new ATOM 0 HA LYS A 4 0.076 10.515 1.663 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -0.290 12.802 -0.288 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.374 11.454 -0.009 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -2.432 12.532 1.705 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -0.922 12.998 2.463 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -0.637 14.889 0.964 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -1.910 14.325 -0.101 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -3.512 14.646 1.930 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -2.204 15.546 2.670 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -3.693 16.998 1.461 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -2.155 17.009 0.740 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -3.424 16.136 0.023 1.00 10.00 H new ATOM 71 N ALA A 5 1.104 9.522 -0.495 1.00 10.00 N ATOM 72 CA ALA A 5 1.789 8.850 -1.580 1.00 10.00 C ATOM 73 C ALA A 5 0.743 7.966 -2.249 1.00 10.00 C ATOM 74 O ALA A 5 -0.101 7.410 -1.551 1.00 10.00 O ATOM 75 CB ALA A 5 2.957 8.058 -1.003 1.00 10.00 C ATOM 0 H ALA A 5 0.415 8.927 -0.035 1.00 10.00 H new ATOM 0 HA ALA A 5 2.211 9.532 -2.319 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.483 7.546 -1.809 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.642 8.737 -0.497 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.582 7.323 -0.290 1.00 10.00 H new ATOM 81 N GLU A 6 0.725 7.883 -3.578 1.00 10.00 N ATOM 82 CA GLU A 6 -0.369 7.289 -4.315 1.00 10.00 C ATOM 83 C GLU A 6 0.322 6.257 -5.181 1.00 10.00 C ATOM 84 O GLU A 6 1.325 6.589 -5.819 1.00 10.00 O ATOM 85 CB GLU A 6 -1.084 8.389 -5.119 1.00 10.00 C ATOM 86 CG GLU A 6 -2.602 8.221 -5.293 1.00 10.00 C ATOM 87 CD GLU A 6 -3.355 9.518 -4.996 1.00 10.00 C ATOM 88 OE1 GLU A 6 -3.078 10.538 -5.677 1.00 10.00 O ATOM 89 OE2 GLU A 6 -4.197 9.466 -4.075 1.00 10.00 O ATOM 0 H GLU A 6 1.479 8.231 -4.170 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.147 6.827 -3.707 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -0.898 9.346 -4.631 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.629 8.442 -6.108 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.818 7.901 -6.312 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -2.959 7.433 -4.629 1.00 10.00 H new ATOM 96 N PHE A 7 -0.162 5.018 -5.160 1.00 10.00 N ATOM 97 CA PHE A 7 0.459 3.869 -5.786 1.00 10.00 C ATOM 98 C PHE A 7 -0.585 3.059 -6.542 1.00 10.00 C ATOM 99 O PHE A 7 -1.737 3.015 -6.122 1.00 10.00 O ATOM 100 CB PHE A 7 1.093 2.977 -4.720 1.00 10.00 C ATOM 101 CG PHE A 7 1.926 3.656 -3.652 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.866 4.635 -4.010 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.866 3.216 -2.318 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.652 5.260 -3.034 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.688 3.811 -1.347 1.00 10.00 C ATOM 106 CZ PHE A 7 3.542 4.868 -1.692 1.00 10.00 C ATOM 0 H PHE A 7 -1.034 4.784 -4.685 1.00 10.00 H new ATOM 0 HA PHE A 7 1.224 4.222 -6.478 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.295 2.424 -4.225 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.723 2.244 -5.224 1.00 10.00 H new ATOM 0 HD1 PHE A 7 2.984 4.909 -5.048 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.189 2.422 -2.040 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.342 6.042 -3.314 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.662 3.452 -0.329 1.00 10.00 H new ATOM 0 HZ PHE A 7 4.112 5.377 -0.929 1.00 10.00 H new ATOM 116 N ASP A 8 -0.169 2.391 -7.617 1.00 10.00 N ATOM 117 CA ASP A 8 -1.028 1.626 -8.513 1.00 10.00 C ATOM 118 C ASP A 8 -0.792 0.169 -8.157 1.00 10.00 C ATOM 119 O ASP A 8 0.375 -0.226 -8.090 1.00 10.00 O ATOM 120 CB ASP A 8 -0.599 1.885 -9.969 1.00 10.00 C ATOM 121 CG ASP A 8 -1.729 2.129 -10.956 1.00 10.00 C ATOM 122 OD1 ASP A 8 -2.884 1.772 -10.661 1.00 10.00 O ATOM 123 OD2 ASP A 8 -1.423 2.750 -12.002 1.00 10.00 O ATOM 0 H ASP A 8 0.812 2.368 -7.896 1.00 10.00 H new ATOM 0 HA ASP A 8 -2.078 1.900 -8.414 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.065 2.749 -9.984 1.00 10.00 H new ATOM 0 HB3 ASP A 8 -0.018 1.030 -10.315 1.00 10.00 H new ATOM 128 N ILE A 9 -1.845 -0.598 -7.874 1.00 10.00 N ATOM 129 CA ILE A 9 -1.721 -1.991 -7.454 1.00 10.00 C ATOM 130 C ILE A 9 -2.241 -2.935 -8.534 1.00 10.00 C ATOM 131 O ILE A 9 -3.363 -2.762 -8.998 1.00 10.00 O ATOM 132 CB ILE A 9 -2.468 -2.236 -6.145 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.233 -1.055 -5.196 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.952 -3.557 -5.549 1.00 10.00 C ATOM 135 CD1 ILE A 9 -2.608 -1.468 -3.787 1.00 10.00 C ATOM 0 H ILE A 9 -2.809 -0.269 -7.930 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.662 -2.193 -7.294 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.543 -2.315 -6.309 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -1.188 -0.746 -5.232 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -2.830 -0.198 -5.508 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.469 -3.759 -4.611 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -2.141 -4.370 -6.250 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.881 -3.479 -5.364 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -2.443 -0.632 -3.107 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.659 -1.756 -3.760 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -1.992 -2.313 -3.479 1.00 10.00 H new ATOM 147 N GLU A 10 -1.464 -3.964 -8.883 1.00 10.00 N ATOM 148 CA GLU A 10 -1.830 -4.936 -9.905 1.00 10.00 C ATOM 149 C GLU A 10 -1.851 -6.341 -9.293 1.00 10.00 C ATOM 150 O GLU A 10 -0.844 -6.791 -8.746 1.00 10.00 O ATOM 151 CB GLU A 10 -0.826 -4.858 -11.060 1.00 10.00 C ATOM 152 CG GLU A 10 -0.779 -3.461 -11.705 1.00 10.00 C ATOM 153 CD GLU A 10 0.332 -3.342 -12.745 1.00 10.00 C ATOM 154 OE1 GLU A 10 0.481 -4.304 -13.529 1.00 10.00 O ATOM 155 OE2 GLU A 10 1.034 -2.304 -12.725 1.00 10.00 O ATOM 0 H GLU A 10 -0.555 -4.143 -8.457 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.825 -4.715 -10.292 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.167 -5.119 -10.693 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -1.090 -5.596 -11.817 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -1.739 -3.248 -12.175 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -0.630 -2.710 -10.929 1.00 10.00 H new ATOM 162 N GLY A 11 -2.990 -7.034 -9.407 1.00 10.00 N ATOM 163 CA GLY A 11 -3.146 -8.445 -9.048 1.00 10.00 C ATOM 164 C GLY A 11 -4.224 -8.706 -7.989 1.00 10.00 C ATOM 165 O GLY A 11 -4.691 -9.835 -7.856 1.00 10.00 O ATOM 0 H GLY A 11 -3.850 -6.616 -9.761 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.389 -9.013 -9.946 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.192 -8.823 -8.681 1.00 10.00 H new ATOM 169 N MET A 12 -4.621 -7.687 -7.223 1.00 10.00 N ATOM 170 CA MET A 12 -5.589 -7.809 -6.144 1.00 10.00 C ATOM 171 C MET A 12 -7.020 -7.998 -6.674 1.00 10.00 C ATOM 172 O MET A 12 -7.853 -7.098 -6.627 1.00 10.00 O ATOM 173 CB MET A 12 -5.459 -6.574 -5.251 1.00 10.00 C ATOM 174 CG MET A 12 -5.554 -5.281 -6.077 1.00 10.00 C ATOM 175 SD MET A 12 -6.277 -3.869 -5.217 1.00 10.00 S ATOM 176 CE MET A 12 -7.969 -4.485 -5.073 1.00 10.00 C ATOM 0 H MET A 12 -4.268 -6.737 -7.342 1.00 10.00 H new ATOM 0 HA MET A 12 -5.379 -8.704 -5.559 1.00 10.00 H new ATOM 0 HB2 MET A 12 -6.244 -6.584 -4.494 1.00 10.00 H new ATOM 0 HB3 MET A 12 -4.506 -6.602 -4.722 1.00 10.00 H new ATOM 0 HG2 MET A 12 -4.553 -5.008 -6.411 1.00 10.00 H new ATOM 0 HG3 MET A 12 -6.145 -5.483 -6.971 1.00 10.00 H new ATOM 0 HE1 MET A 12 -8.579 -3.752 -4.545 1.00 10.00 H new ATOM 0 HE2 MET A 12 -8.381 -4.652 -6.068 1.00 10.00 H new ATOM 0 HE3 MET A 12 -7.969 -5.423 -4.518 1.00 10.00 H new ATOM 186 N THR A 13 -7.328 -9.186 -7.178 1.00 10.00 N ATOM 187 CA THR A 13 -8.573 -9.466 -7.864 1.00 10.00 C ATOM 188 C THR A 13 -9.742 -9.539 -6.890 1.00 10.00 C ATOM 189 O THR A 13 -10.881 -9.437 -7.344 1.00 10.00 O ATOM 190 CB THR A 13 -8.441 -10.763 -8.674 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.810 -11.761 -7.895 1.00 10.00 O ATOM 192 CG2 THR A 13 -7.606 -10.534 -9.937 1.00 10.00 C ATOM 0 H THR A 13 -6.706 -9.992 -7.118 1.00 10.00 H new ATOM 0 HA THR A 13 -8.782 -8.645 -8.550 1.00 10.00 H new ATOM 0 HB THR A 13 -9.444 -11.083 -8.955 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.732 -12.585 -8.420 1.00 10.00 H new ATOM 0 HG21 THR A 13 -7.526 -11.467 -10.495 1.00 10.00 H new ATOM 0 HG22 THR A 13 -8.087 -9.779 -10.559 1.00 10.00 H new ATOM 0 HG23 THR A 13 -6.609 -10.192 -9.657 1.00 10.00 H new ATOM 200 N CYS A 14 -9.486 -9.733 -5.586 1.00 10.00 N ATOM 201 CA CYS A 14 -10.535 -9.747 -4.583 1.00 10.00 C ATOM 202 C CYS A 14 -10.347 -8.643 -3.541 1.00 10.00 C ATOM 203 O CYS A 14 -9.238 -8.189 -3.281 1.00 10.00 O ATOM 204 CB CYS A 14 -10.685 -11.133 -3.950 1.00 10.00 C ATOM 205 SG CYS A 14 -9.371 -11.646 -2.816 1.00 10.00 S ATOM 0 H CYS A 14 -8.549 -9.882 -5.211 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.475 -9.528 -5.090 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -11.632 -11.162 -3.411 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.752 -11.869 -4.751 1.00 10.00 H new ATOM 0 HG CYS A 14 -8.224 -11.229 -3.264 1.00 10.00 H new ATOM 210 N ALA A 15 -11.438 -8.185 -2.926 1.00 10.00 N ATOM 211 CA ALA A 15 -11.351 -7.148 -1.903 1.00 10.00 C ATOM 212 C ALA A 15 -10.470 -7.601 -0.734 1.00 10.00 C ATOM 213 O ALA A 15 -9.808 -6.789 -0.088 1.00 10.00 O ATOM 214 CB ALA A 15 -12.753 -6.762 -1.433 1.00 10.00 C ATOM 0 H ALA A 15 -12.384 -8.514 -3.118 1.00 10.00 H new ATOM 0 HA ALA A 15 -10.880 -6.265 -2.336 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.680 -5.988 -0.669 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.329 -6.385 -2.278 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.251 -7.637 -1.016 1.00 10.00 H new ATOM 220 N ALA A 16 -10.448 -8.908 -0.465 1.00 10.00 N ATOM 221 CA ALA A 16 -9.639 -9.468 0.598 1.00 10.00 C ATOM 222 C ALA A 16 -8.144 -9.264 0.331 1.00 10.00 C ATOM 223 O ALA A 16 -7.397 -9.039 1.282 1.00 10.00 O ATOM 224 CB ALA A 16 -9.994 -10.940 0.803 1.00 10.00 C ATOM 0 H ALA A 16 -10.992 -9.599 -0.981 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.860 -8.937 1.524 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.381 -11.354 1.604 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -11.047 -11.026 1.070 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.807 -11.491 -0.119 1.00 10.00 H new ATOM 230 N CYS A 17 -7.712 -9.326 -0.938 1.00 10.00 N ATOM 231 CA CYS A 17 -6.344 -9.017 -1.337 1.00 10.00 C ATOM 232 C CYS A 17 -5.996 -7.613 -0.857 1.00 10.00 C ATOM 233 O CYS A 17 -5.048 -7.427 -0.091 1.00 10.00 O ATOM 234 CB CYS A 17 -6.187 -9.104 -2.866 1.00 10.00 C ATOM 235 SG CYS A 17 -5.829 -10.749 -3.538 1.00 10.00 S ATOM 0 H CYS A 17 -8.313 -9.595 -1.717 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.668 -9.743 -0.887 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.104 -8.737 -3.327 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.387 -8.428 -3.168 1.00 10.00 H new ATOM 0 HG CYS A 17 -5.933 -10.721 -4.834 1.00 10.00 H new ATOM 240 N ALA A 18 -6.787 -6.640 -1.311 1.00 10.00 N ATOM 241 CA ALA A 18 -6.663 -5.243 -0.930 1.00 10.00 C ATOM 242 C ALA A 18 -6.587 -5.097 0.593 1.00 10.00 C ATOM 243 O ALA A 18 -5.626 -4.546 1.129 1.00 10.00 O ATOM 244 CB ALA A 18 -7.817 -4.459 -1.548 1.00 10.00 C ATOM 0 H ALA A 18 -7.548 -6.811 -1.969 1.00 10.00 H new ATOM 0 HA ALA A 18 -5.731 -4.829 -1.315 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -7.734 -3.409 -1.269 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -7.778 -4.550 -2.634 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -8.764 -4.858 -1.184 1.00 10.00 H new ATOM 250 N ASN A 19 -7.574 -5.645 1.305 1.00 10.00 N ATOM 251 CA ASN A 19 -7.605 -5.588 2.765 1.00 10.00 C ATOM 252 C ASN A 19 -6.324 -6.159 3.387 1.00 10.00 C ATOM 253 O ASN A 19 -5.817 -5.633 4.377 1.00 10.00 O ATOM 254 CB ASN A 19 -8.854 -6.306 3.303 1.00 10.00 C ATOM 255 CG ASN A 19 -9.721 -5.368 4.133 1.00 10.00 C ATOM 256 OD1 ASN A 19 -9.879 -5.559 5.334 1.00 10.00 O ATOM 257 ND2 ASN A 19 -10.300 -4.355 3.494 1.00 10.00 N ATOM 0 H ASN A 19 -8.366 -6.136 0.890 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.658 -4.539 3.056 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.436 -6.700 2.470 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.552 -7.158 3.912 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -10.899 -3.706 4.004 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -10.145 -4.228 2.494 1.00 10.00 H new ATOM 264 N ARG A 20 -5.784 -7.235 2.808 1.00 10.00 N ATOM 265 CA ARG A 20 -4.532 -7.833 3.257 1.00 10.00 C ATOM 266 C ARG A 20 -3.391 -6.816 3.153 1.00 10.00 C ATOM 267 O ARG A 20 -2.550 -6.739 4.054 1.00 10.00 O ATOM 268 CB ARG A 20 -4.239 -9.106 2.445 1.00 10.00 C ATOM 269 CG ARG A 20 -4.103 -10.373 3.300 1.00 10.00 C ATOM 270 CD ARG A 20 -4.598 -11.590 2.508 1.00 10.00 C ATOM 271 NE ARG A 20 -6.065 -11.700 2.593 1.00 10.00 N ATOM 272 CZ ARG A 20 -6.779 -12.741 2.141 1.00 10.00 C ATOM 273 NH1 ARG A 20 -6.269 -13.540 1.199 1.00 10.00 N ATOM 274 NH2 ARG A 20 -7.991 -12.990 2.650 1.00 10.00 N ATOM 0 H ARG A 20 -6.207 -7.714 2.013 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.621 -8.119 4.305 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -5.039 -9.254 1.719 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.318 -8.961 1.880 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.063 -10.516 3.592 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -4.680 -10.266 4.219 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -4.294 -11.501 1.465 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -4.136 -12.497 2.898 1.00 10.00 H new ATOM 0 HE ARG A 20 -6.573 -10.929 3.027 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -5.338 -13.358 0.825 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -6.811 -14.332 0.854 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -8.371 -12.388 3.381 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -8.535 -13.782 2.307 1.00 10.00 H new ATOM 288 N ILE A 21 -3.374 -6.021 2.076 1.00 10.00 N ATOM 289 CA ILE A 21 -2.391 -4.947 1.959 1.00 10.00 C ATOM 290 C ILE A 21 -2.565 -3.998 3.132 1.00 10.00 C ATOM 291 O ILE A 21 -1.596 -3.730 3.832 1.00 10.00 O ATOM 292 CB ILE A 21 -2.424 -4.165 0.630 1.00 10.00 C ATOM 293 CG1 ILE A 21 -2.853 -5.056 -0.532 1.00 10.00 C ATOM 294 CG2 ILE A 21 -1.025 -3.595 0.367 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.631 -4.491 -1.936 1.00 10.00 C ATOM 0 H ILE A 21 -4.018 -6.101 1.289 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.412 -5.427 1.970 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.154 -3.360 0.710 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -2.316 -6.001 -0.455 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -3.913 -5.281 -0.417 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -1.029 -3.038 -0.570 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.744 -2.930 1.183 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -0.306 -4.412 0.300 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -2.974 -5.213 -2.677 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -3.191 -3.563 -2.047 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.569 -4.294 -2.085 1.00 10.00 H new ATOM 307 N GLU A 22 -3.787 -3.509 3.361 1.00 10.00 N ATOM 308 CA GLU A 22 -4.069 -2.566 4.442 1.00 10.00 C ATOM 309 C GLU A 22 -3.544 -3.113 5.768 1.00 10.00 C ATOM 310 O GLU A 22 -2.897 -2.401 6.534 1.00 10.00 O ATOM 311 CB GLU A 22 -5.567 -2.253 4.531 1.00 10.00 C ATOM 312 CG GLU A 22 -6.095 -1.770 3.181 1.00 10.00 C ATOM 313 CD GLU A 22 -7.521 -1.250 3.230 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.107 -1.248 4.333 1.00 10.00 O ATOM 315 OE2 GLU A 22 -7.988 -0.851 2.142 1.00 10.00 O ATOM 0 H GLU A 22 -4.605 -3.756 2.803 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.553 -1.631 4.223 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.112 -3.143 4.844 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.740 -1.490 5.290 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.443 -0.980 2.808 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.042 -2.591 2.466 1.00 10.00 H new ATOM 322 N LYS A 23 -3.800 -4.396 6.014 1.00 10.00 N ATOM 323 CA LYS A 23 -3.277 -5.124 7.161 1.00 10.00 C ATOM 324 C LYS A 23 -1.744 -5.027 7.248 1.00 10.00 C ATOM 325 O LYS A 23 -1.212 -4.640 8.288 1.00 10.00 O ATOM 326 CB LYS A 23 -3.786 -6.578 7.105 1.00 10.00 C ATOM 327 CG LYS A 23 -4.770 -6.912 8.240 1.00 10.00 C ATOM 328 CD LYS A 23 -4.052 -7.629 9.389 1.00 10.00 C ATOM 329 CE LYS A 23 -3.914 -9.123 9.050 1.00 10.00 C ATOM 330 NZ LYS A 23 -2.892 -9.796 9.873 1.00 10.00 N ATOM 0 H LYS A 23 -4.389 -4.967 5.408 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.645 -4.669 8.081 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.274 -6.750 6.146 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.935 -7.258 7.157 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.231 -5.996 8.609 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.573 -7.542 7.858 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.068 -7.188 9.549 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.611 -7.505 10.316 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -4.875 -9.616 9.195 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.657 -9.231 7.996 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.837 -10.800 9.606 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -1.968 -9.345 9.716 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.149 -9.718 10.878 1.00 10.00 H new ATOM 344 N ARG A 24 -1.019 -5.382 6.181 1.00 10.00 N ATOM 345 CA ARG A 24 0.440 -5.238 6.166 1.00 10.00 C ATOM 346 C ARG A 24 0.853 -3.786 6.415 1.00 10.00 C ATOM 347 O ARG A 24 1.711 -3.526 7.251 1.00 10.00 O ATOM 348 CB ARG A 24 1.042 -5.725 4.839 1.00 10.00 C ATOM 349 CG ARG A 24 1.607 -7.151 4.906 1.00 10.00 C ATOM 350 CD ARG A 24 2.914 -7.231 5.709 1.00 10.00 C ATOM 351 NE ARG A 24 3.589 -8.519 5.478 1.00 10.00 N ATOM 352 CZ ARG A 24 4.791 -8.861 5.972 1.00 10.00 C ATOM 353 NH1 ARG A 24 5.458 -8.004 6.755 1.00 10.00 N ATOM 354 NH2 ARG A 24 5.313 -10.060 5.688 1.00 10.00 N ATOM 0 H ARG A 24 -1.415 -5.768 5.324 1.00 10.00 H new ATOM 0 HA ARG A 24 0.829 -5.861 6.972 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.276 -5.683 4.065 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.837 -5.042 4.538 1.00 10.00 H new ATOM 0 HG2 ARG A 24 0.866 -7.811 5.358 1.00 10.00 H new ATOM 0 HG3 ARG A 24 1.784 -7.516 3.894 1.00 10.00 H new ATOM 0 HD2 ARG A 24 3.574 -6.412 5.422 1.00 10.00 H new ATOM 0 HD3 ARG A 24 2.702 -7.111 6.771 1.00 10.00 H new ATOM 0 HE ARG A 24 3.107 -9.205 4.898 1.00 10.00 H new ATOM 0 HH11 ARG A 24 5.054 -7.094 6.975 1.00 10.00 H new ATOM 0 HH12 ARG A 24 6.371 -8.261 7.131 1.00 10.00 H new ATOM 0 HH21 ARG A 24 4.799 -10.713 5.097 1.00 10.00 H new ATOM 0 HH22 ARG A 24 6.225 -10.321 6.062 1.00 10.00 H new ATOM 368 N LEU A 25 0.259 -2.849 5.679 1.00 10.00 N ATOM 369 CA LEU A 25 0.562 -1.429 5.744 1.00 10.00 C ATOM 370 C LEU A 25 0.430 -0.934 7.183 1.00 10.00 C ATOM 371 O LEU A 25 1.364 -0.346 7.716 1.00 10.00 O ATOM 372 CB LEU A 25 -0.354 -0.666 4.778 1.00 10.00 C ATOM 373 CG LEU A 25 0.032 -0.915 3.308 1.00 10.00 C ATOM 374 CD1 LEU A 25 -1.179 -0.710 2.391 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.161 0.030 2.881 1.00 10.00 C ATOM 0 H LEU A 25 -0.470 -3.069 5.000 1.00 10.00 H new ATOM 0 HA LEU A 25 1.592 -1.249 5.435 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.388 -0.972 4.939 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.300 0.401 4.992 1.00 10.00 H new ATOM 0 HG LEU A 25 0.376 -1.946 3.220 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.887 -0.890 1.357 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.970 -1.406 2.671 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.543 0.312 2.492 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.421 -0.160 1.840 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.831 1.063 2.990 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.035 -0.140 3.510 1.00 10.00 H new ATOM 387 N ASN A 26 -0.698 -1.232 7.833 1.00 10.00 N ATOM 388 CA ASN A 26 -0.931 -0.929 9.242 1.00 10.00 C ATOM 389 C ASN A 26 0.197 -1.464 10.124 1.00 10.00 C ATOM 390 O ASN A 26 0.567 -0.839 11.112 1.00 10.00 O ATOM 391 CB ASN A 26 -2.269 -1.524 9.699 1.00 10.00 C ATOM 392 CG ASN A 26 -3.425 -0.552 9.487 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.873 0.102 10.422 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.924 -0.448 8.261 1.00 10.00 N ATOM 0 H ASN A 26 -1.487 -1.698 7.385 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.960 0.156 9.345 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.463 -2.445 9.149 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.207 -1.790 10.754 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.700 0.188 8.078 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.531 -1.005 7.502 1.00 10.00 H new ATOM 401 N LYS A 27 0.724 -2.641 9.783 1.00 10.00 N ATOM 402 CA LYS A 27 1.807 -3.273 10.520 1.00 10.00 C ATOM 403 C LYS A 27 3.150 -2.541 10.356 1.00 10.00 C ATOM 404 O LYS A 27 4.074 -2.835 11.111 1.00 10.00 O ATOM 405 CB LYS A 27 1.877 -4.761 10.135 1.00 10.00 C ATOM 406 CG LYS A 27 2.622 -5.622 11.165 1.00 10.00 C ATOM 407 CD LYS A 27 2.036 -7.041 11.167 1.00 10.00 C ATOM 408 CE LYS A 27 2.831 -7.959 12.108 1.00 10.00 C ATOM 409 NZ LYS A 27 2.120 -9.222 12.394 1.00 10.00 N ATOM 0 H LYS A 27 0.405 -3.183 8.980 1.00 10.00 H new ATOM 0 HA LYS A 27 1.592 -3.203 11.586 1.00 10.00 H new ATOM 0 HB2 LYS A 27 0.864 -5.146 10.015 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.371 -4.856 9.168 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.685 -5.656 10.925 1.00 10.00 H new ATOM 0 HG3 LYS A 27 2.533 -5.179 12.157 1.00 10.00 H new ATOM 0 HD2 LYS A 27 0.992 -7.008 11.480 1.00 10.00 H new ATOM 0 HD3 LYS A 27 2.052 -7.447 10.156 1.00 10.00 H new ATOM 0 HE2 LYS A 27 3.799 -8.183 11.660 1.00 10.00 H new ATOM 0 HE3 LYS A 27 3.026 -7.435 13.044 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 2.696 -9.807 13.032 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 1.207 -9.012 12.846 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 1.956 -9.737 11.505 1.00 10.00 H new ATOM 423 N ILE A 28 3.289 -1.626 9.388 1.00 10.00 N ATOM 424 CA ILE A 28 4.497 -0.818 9.234 1.00 10.00 C ATOM 425 C ILE A 28 4.464 0.346 10.232 1.00 10.00 C ATOM 426 O ILE A 28 3.427 0.963 10.466 1.00 10.00 O ATOM 427 CB ILE A 28 4.645 -0.306 7.788 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.452 -1.353 6.691 1.00 10.00 C ATOM 429 CG2 ILE A 28 5.948 0.480 7.588 1.00 10.00 C ATOM 430 CD1 ILE A 28 5.400 -2.513 6.893 1.00 10.00 C ATOM 0 H ILE A 28 2.568 -1.428 8.694 1.00 10.00 H new ATOM 0 HA ILE A 28 5.367 -1.440 9.445 1.00 10.00 H new ATOM 0 HB ILE A 28 3.802 0.374 7.666 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.423 -1.711 6.699 1.00 10.00 H new ATOM 0 HG13 ILE A 28 4.624 -0.901 5.714 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.012 0.822 6.555 1.00 10.00 H new ATOM 0 HG22 ILE A 28 5.960 1.341 8.257 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.799 -0.164 7.810 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.248 -3.249 6.103 1.00 10.00 H new ATOM 0 HD12 ILE A 28 6.428 -2.152 6.861 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.208 -2.976 7.861 1.00 10.00 H new ATOM 442 N GLU A 29 5.620 0.650 10.817 1.00 10.00 N ATOM 443 CA GLU A 29 5.775 1.622 11.887 1.00 10.00 C ATOM 444 C GLU A 29 5.846 3.042 11.309 1.00 10.00 C ATOM 445 O GLU A 29 6.651 3.314 10.423 1.00 10.00 O ATOM 446 CB GLU A 29 7.031 1.246 12.685 1.00 10.00 C ATOM 447 CG GLU A 29 6.852 -0.135 13.342 1.00 10.00 C ATOM 448 CD GLU A 29 8.163 -0.682 13.886 1.00 10.00 C ATOM 449 OE1 GLU A 29 8.543 -0.248 14.993 1.00 10.00 O ATOM 450 OE2 GLU A 29 8.750 -1.535 13.186 1.00 10.00 O ATOM 0 H GLU A 29 6.500 0.211 10.548 1.00 10.00 H new ATOM 0 HA GLU A 29 4.916 1.609 12.558 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.899 1.233 12.026 1.00 10.00 H new ATOM 0 HB3 GLU A 29 7.223 1.998 13.450 1.00 10.00 H new ATOM 0 HG2 GLU A 29 6.127 -0.060 14.152 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.443 -0.833 12.612 1.00 10.00 H new ATOM 457 N GLY A 30 4.993 3.950 11.796 1.00 10.00 N ATOM 458 CA GLY A 30 4.927 5.337 11.341 1.00 10.00 C ATOM 459 C GLY A 30 4.106 5.497 10.061 1.00 10.00 C ATOM 460 O GLY A 30 4.250 6.484 9.335 1.00 10.00 O ATOM 0 H GLY A 30 4.319 3.734 12.530 1.00 10.00 H new ATOM 0 HA2 GLY A 30 4.491 5.953 12.127 1.00 10.00 H new ATOM 0 HA3 GLY A 30 5.938 5.708 11.169 1.00 10.00 H new ATOM 464 N VAL A 31 3.199 4.548 9.820 1.00 10.00 N ATOM 465 CA VAL A 31 2.127 4.699 8.855 1.00 10.00 C ATOM 466 C VAL A 31 1.010 5.511 9.515 1.00 10.00 C ATOM 467 O VAL A 31 0.791 5.380 10.718 1.00 10.00 O ATOM 468 CB VAL A 31 1.668 3.307 8.392 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.875 2.576 9.482 1.00 10.00 C ATOM 470 CG2 VAL A 31 0.842 3.385 7.102 1.00 10.00 C ATOM 0 H VAL A 31 3.195 3.647 10.298 1.00 10.00 H new ATOM 0 HA VAL A 31 2.451 5.236 7.964 1.00 10.00 H new ATOM 0 HB VAL A 31 2.572 2.734 8.188 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.569 1.596 9.114 1.00 10.00 H new ATOM 0 HG12 VAL A 31 1.500 2.453 10.366 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -0.009 3.158 9.741 1.00 10.00 H new ATOM 0 HG21 VAL A 31 0.535 2.382 6.805 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -0.042 3.999 7.273 1.00 10.00 H new ATOM 0 HG23 VAL A 31 1.445 3.829 6.310 1.00 10.00 H new ATOM 480 N ALA A 32 0.313 6.351 8.746 1.00 10.00 N ATOM 481 CA ALA A 32 -0.880 7.044 9.210 1.00 10.00 C ATOM 482 C ALA A 32 -2.113 6.267 8.751 1.00 10.00 C ATOM 483 O ALA A 32 -2.974 5.946 9.567 1.00 10.00 O ATOM 484 CB ALA A 32 -0.890 8.496 8.722 1.00 10.00 C ATOM 0 H ALA A 32 0.565 6.567 7.782 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.887 7.087 10.299 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.791 8.994 9.081 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -0.011 9.015 9.105 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.875 8.514 7.632 1.00 10.00 H new ATOM 490 N ASN A 33 -2.198 5.934 7.457 1.00 10.00 N ATOM 491 CA ASN A 33 -3.329 5.212 6.888 1.00 10.00 C ATOM 492 C ASN A 33 -2.949 4.818 5.468 1.00 10.00 C ATOM 493 O ASN A 33 -1.886 5.203 5.000 1.00 10.00 O ATOM 494 CB ASN A 33 -4.626 6.043 6.940 1.00 10.00 C ATOM 495 CG ASN A 33 -4.431 7.498 6.521 1.00 10.00 C ATOM 496 OD1 ASN A 33 -4.093 8.332 7.355 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.643 7.823 5.251 1.00 10.00 N ATOM 0 H ASN A 33 -1.475 6.163 6.775 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.541 4.318 7.475 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -5.370 5.582 6.290 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.026 6.015 7.953 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -4.526 8.789 4.945 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.923 7.107 4.581 1.00 10.00 H new ATOM 504 N ALA A 34 -3.781 4.020 4.799 1.00 10.00 N ATOM 505 CA ALA A 34 -3.509 3.460 3.481 1.00 10.00 C ATOM 506 C ALA A 34 -4.661 2.590 2.950 1.00 10.00 C ATOM 507 O ALA A 34 -4.453 1.403 2.704 1.00 10.00 O ATOM 508 CB ALA A 34 -2.226 2.626 3.543 1.00 10.00 C ATOM 0 H ALA A 34 -4.688 3.739 5.172 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.396 4.296 2.791 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.018 2.205 2.559 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.394 3.260 3.849 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.351 1.819 4.264 1.00 10.00 H new ATOM 514 N PRO A 35 -5.869 3.138 2.756 1.00 10.00 N ATOM 515 CA PRO A 35 -6.995 2.372 2.244 1.00 10.00 C ATOM 516 C PRO A 35 -6.832 2.113 0.738 1.00 10.00 C ATOM 517 O PRO A 35 -6.598 3.049 -0.029 1.00 10.00 O ATOM 518 CB PRO A 35 -8.223 3.226 2.558 1.00 10.00 C ATOM 519 CG PRO A 35 -7.681 4.656 2.500 1.00 10.00 C ATOM 520 CD PRO A 35 -6.254 4.513 3.031 1.00 10.00 C ATOM 0 HA PRO A 35 -7.077 1.385 2.699 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.020 3.068 1.831 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.636 2.992 3.539 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.695 5.050 1.484 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.272 5.336 3.114 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.581 5.214 2.538 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.210 4.726 4.099 1.00 10.00 H new ATOM 528 N VAL A 36 -6.942 0.853 0.305 1.00 10.00 N ATOM 529 CA VAL A 36 -6.792 0.454 -1.088 1.00 10.00 C ATOM 530 C VAL A 36 -8.128 0.645 -1.817 1.00 10.00 C ATOM 531 O VAL A 36 -9.160 0.148 -1.369 1.00 10.00 O ATOM 532 CB VAL A 36 -6.325 -1.006 -1.130 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.234 -1.523 -2.570 1.00 10.00 C ATOM 534 CG2 VAL A 36 -4.961 -1.197 -0.455 1.00 10.00 C ATOM 0 H VAL A 36 -7.142 0.071 0.929 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.047 1.070 -1.592 1.00 10.00 H new ATOM 0 HB VAL A 36 -7.074 -1.576 -0.581 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -5.900 -2.561 -2.564 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -7.215 -1.460 -3.042 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -5.522 -0.916 -3.130 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -4.672 -2.247 -0.509 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.214 -0.588 -0.965 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.026 -0.892 0.590 1.00 10.00 H new ATOM 544 N ASN A 37 -8.130 1.359 -2.948 1.00 10.00 N ATOM 545 CA ASN A 37 -9.353 1.772 -3.618 1.00 10.00 C ATOM 546 C ASN A 37 -9.660 0.854 -4.808 1.00 10.00 C ATOM 547 O ASN A 37 -9.164 1.064 -5.922 1.00 10.00 O ATOM 548 CB ASN A 37 -9.234 3.249 -4.010 1.00 10.00 C ATOM 549 CG ASN A 37 -10.501 3.749 -4.686 1.00 10.00 C ATOM 550 OD1 ASN A 37 -11.270 4.520 -4.126 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.718 3.306 -5.916 1.00 10.00 N ATOM 0 H ASN A 37 -7.279 1.664 -3.420 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.203 1.676 -2.943 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -9.034 3.848 -3.121 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.385 3.381 -4.681 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -11.548 3.607 -6.427 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -10.055 2.664 -6.351 1.00 10.00 H new ATOM 558 N PHE A 38 -10.549 -0.121 -4.594 1.00 10.00 N ATOM 559 CA PHE A 38 -11.013 -1.054 -5.618 1.00 10.00 C ATOM 560 C PHE A 38 -11.956 -0.364 -6.616 1.00 10.00 C ATOM 561 O PHE A 38 -13.157 -0.625 -6.640 1.00 10.00 O ATOM 562 CB PHE A 38 -11.678 -2.268 -4.947 1.00 10.00 C ATOM 563 CG PHE A 38 -11.624 -3.577 -5.724 1.00 10.00 C ATOM 564 CD1 PHE A 38 -11.975 -3.645 -7.089 1.00 10.00 C ATOM 565 CD2 PHE A 38 -11.189 -4.744 -5.069 1.00 10.00 C ATOM 566 CE1 PHE A 38 -11.844 -4.853 -7.796 1.00 10.00 C ATOM 567 CE2 PHE A 38 -11.025 -5.939 -5.787 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.368 -6.002 -7.144 1.00 10.00 C ATOM 0 H PHE A 38 -10.974 -0.285 -3.681 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.156 -1.405 -6.192 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.206 -2.425 -3.977 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.723 -2.025 -4.757 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -12.346 -2.765 -7.593 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -10.980 -4.720 -4.010 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -12.110 -4.897 -8.842 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -10.632 -6.814 -5.291 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.267 -6.930 -7.686 1.00 10.00 H new ATOM 578 N ALA A 39 -11.400 0.496 -7.466 1.00 10.00 N ATOM 579 CA ALA A 39 -12.058 1.018 -8.658 1.00 10.00 C ATOM 580 C ALA A 39 -11.006 1.545 -9.633 1.00 10.00 C ATOM 581 O ALA A 39 -10.922 1.096 -10.771 1.00 10.00 O ATOM 582 CB ALA A 39 -13.058 2.112 -8.281 1.00 10.00 C ATOM 0 H ALA A 39 -10.455 0.858 -7.340 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.613 0.216 -9.145 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.540 2.491 -9.182 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.813 1.700 -7.612 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.535 2.926 -7.780 1.00 10.00 H new ATOM 588 N LEU A 40 -10.190 2.494 -9.163 1.00 10.00 N ATOM 589 CA LEU A 40 -9.138 3.141 -9.946 1.00 10.00 C ATOM 590 C LEU A 40 -7.870 2.281 -9.944 1.00 10.00 C ATOM 591 O LEU A 40 -6.925 2.570 -10.673 1.00 10.00 O ATOM 592 CB LEU A 40 -8.809 4.545 -9.397 1.00 10.00 C ATOM 593 CG LEU A 40 -9.991 5.394 -8.939 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.766 5.959 -7.532 1.00 10.00 C ATOM 595 CD2 LEU A 40 -10.342 6.524 -9.914 1.00 10.00 C ATOM 0 H LEU A 40 -10.246 2.840 -8.205 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.506 3.248 -10.967 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -8.126 4.430 -8.555 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -8.273 5.096 -10.170 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.845 4.717 -8.917 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.628 6.558 -7.238 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.638 5.138 -6.826 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.872 6.583 -7.529 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -11.191 7.088 -9.527 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.485 7.188 -10.025 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.600 6.100 -10.885 1.00 10.00 H new ATOM 607 N GLU A 41 -7.859 1.248 -9.092 1.00 10.00 N ATOM 608 CA GLU A 41 -6.819 0.230 -8.977 1.00 10.00 C ATOM 609 C GLU A 41 -5.597 0.792 -8.232 1.00 10.00 C ATOM 610 O GLU A 41 -4.467 0.346 -8.404 1.00 10.00 O ATOM 611 CB GLU A 41 -6.514 -0.377 -10.363 1.00 10.00 C ATOM 612 CG GLU A 41 -6.549 -1.912 -10.327 1.00 10.00 C ATOM 613 CD GLU A 41 -6.291 -2.557 -11.688 1.00 10.00 C ATOM 614 OE1 GLU A 41 -6.480 -1.856 -12.708 1.00 10.00 O ATOM 615 OE2 GLU A 41 -5.952 -3.761 -11.687 1.00 10.00 O ATOM 0 H GLU A 41 -8.620 1.096 -8.430 1.00 10.00 H new ATOM 0 HA GLU A 41 -7.167 -0.602 -8.365 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -7.241 -0.013 -11.089 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.533 -0.042 -10.700 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.803 -2.268 -9.617 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -7.522 -2.237 -9.958 1.00 10.00 H new ATOM 622 N THR A 42 -5.844 1.777 -7.365 1.00 10.00 N ATOM 623 CA THR A 42 -4.831 2.589 -6.708 1.00 10.00 C ATOM 624 C THR A 42 -5.047 2.556 -5.192 1.00 10.00 C ATOM 625 O THR A 42 -6.156 2.303 -4.722 1.00 10.00 O ATOM 626 CB THR A 42 -4.906 4.007 -7.314 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.318 3.999 -8.603 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.256 5.128 -6.494 1.00 10.00 C ATOM 0 H THR A 42 -6.793 2.036 -7.095 1.00 10.00 H new ATOM 0 HA THR A 42 -3.825 2.204 -6.874 1.00 10.00 H new ATOM 0 HB THR A 42 -5.971 4.239 -7.335 1.00 10.00 H new ATOM 0 HG1 THR A 42 -4.850 4.556 -9.209 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.371 6.076 -7.019 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.738 5.192 -5.519 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.196 4.914 -6.361 1.00 10.00 H new ATOM 636 N VAL A 43 -3.982 2.809 -4.428 1.00 10.00 N ATOM 637 CA VAL A 43 -4.016 3.064 -2.994 1.00 10.00 C ATOM 638 C VAL A 43 -3.402 4.438 -2.745 1.00 10.00 C ATOM 639 O VAL A 43 -2.425 4.797 -3.403 1.00 10.00 O ATOM 640 CB VAL A 43 -3.261 1.956 -2.239 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.808 1.799 -2.708 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.253 2.163 -0.720 1.00 10.00 C ATOM 0 H VAL A 43 -3.037 2.842 -4.811 1.00 10.00 H new ATOM 0 HA VAL A 43 -5.041 3.058 -2.624 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.817 1.048 -2.474 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.326 1.003 -2.140 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.793 1.548 -3.769 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.271 2.734 -2.549 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.706 1.349 -0.245 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.770 3.111 -0.485 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.278 2.176 -0.349 1.00 10.00 H new ATOM 652 N THR A 44 -3.968 5.175 -1.787 1.00 10.00 N ATOM 653 CA THR A 44 -3.437 6.434 -1.290 1.00 10.00 C ATOM 654 C THR A 44 -2.857 6.149 0.098 1.00 10.00 C ATOM 655 O THR A 44 -3.594 6.101 1.081 1.00 10.00 O ATOM 656 CB THR A 44 -4.561 7.481 -1.258 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.203 7.543 -2.519 1.00 10.00 O ATOM 658 CG2 THR A 44 -4.036 8.871 -0.886 1.00 10.00 C ATOM 0 H THR A 44 -4.835 4.899 -1.325 1.00 10.00 H new ATOM 0 HA THR A 44 -2.653 6.839 -1.930 1.00 10.00 H new ATOM 0 HB THR A 44 -5.273 7.172 -0.492 1.00 10.00 H new ATOM 0 HG1 THR A 44 -4.648 8.055 -3.144 1.00 10.00 H new ATOM 0 HG21 THR A 44 -4.863 9.581 -0.875 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.576 8.834 0.102 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.295 9.188 -1.620 1.00 10.00 H new ATOM 666 N VAL A 45 -1.548 5.909 0.176 1.00 10.00 N ATOM 667 CA VAL A 45 -0.843 5.655 1.422 1.00 10.00 C ATOM 668 C VAL A 45 -0.498 6.988 2.066 1.00 10.00 C ATOM 669 O VAL A 45 0.011 7.882 1.396 1.00 10.00 O ATOM 670 CB VAL A 45 0.422 4.827 1.154 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.242 4.589 2.428 1.00 10.00 C ATOM 672 CG2 VAL A 45 0.011 3.472 0.578 1.00 10.00 C ATOM 0 H VAL A 45 -0.941 5.886 -0.643 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.475 5.083 2.101 1.00 10.00 H new ATOM 0 HB VAL A 45 1.043 5.386 0.454 1.00 10.00 H new ATOM 0 HG11 VAL A 45 2.126 3.999 2.187 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.548 5.547 2.848 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.635 4.051 3.156 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.901 2.874 0.383 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.627 2.951 1.292 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.535 3.623 -0.353 1.00 10.00 H new ATOM 682 N GLU A 46 -0.757 7.109 3.365 1.00 10.00 N ATOM 683 CA GLU A 46 -0.411 8.280 4.151 1.00 10.00 C ATOM 684 C GLU A 46 0.503 7.838 5.296 1.00 10.00 C ATOM 685 O GLU A 46 0.156 6.917 6.038 1.00 10.00 O ATOM 686 CB GLU A 46 -1.714 8.944 4.611 1.00 10.00 C ATOM 687 CG GLU A 46 -1.645 10.476 4.553 1.00 10.00 C ATOM 688 CD GLU A 46 -3.008 11.138 4.725 1.00 10.00 C ATOM 689 OE1 GLU A 46 -4.018 10.398 4.709 1.00 10.00 O ATOM 690 OE2 GLU A 46 -3.012 12.383 4.827 1.00 10.00 O ATOM 0 H GLU A 46 -1.222 6.380 3.907 1.00 10.00 H new ATOM 0 HA GLU A 46 0.142 9.026 3.580 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.536 8.597 3.985 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.937 8.632 5.631 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -0.972 10.834 5.332 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -1.217 10.780 3.598 1.00 10.00 H new ATOM 697 N TYR A 47 1.692 8.439 5.419 1.00 10.00 N ATOM 698 CA TYR A 47 2.703 8.021 6.390 1.00 10.00 C ATOM 699 C TYR A 47 3.685 9.157 6.666 1.00 10.00 C ATOM 700 O TYR A 47 3.486 10.260 6.161 1.00 10.00 O ATOM 701 CB TYR A 47 3.416 6.749 5.907 1.00 10.00 C ATOM 702 CG TYR A 47 4.399 6.911 4.764 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.966 7.137 3.444 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.771 6.766 5.027 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.905 7.184 2.397 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.708 6.865 3.993 1.00 10.00 C ATOM 707 CZ TYR A 47 6.277 7.064 2.674 1.00 10.00 C ATOM 708 OH TYR A 47 7.201 7.305 1.706 1.00 10.00 O ATOM 0 H TYR A 47 1.979 9.232 4.845 1.00 10.00 H new ATOM 0 HA TYR A 47 2.211 7.782 7.333 1.00 10.00 H new ATOM 0 HB2 TYR A 47 3.947 6.315 6.754 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.657 6.028 5.603 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.915 7.274 3.235 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.106 6.576 6.036 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.570 7.313 1.378 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.763 6.788 4.211 1.00 10.00 H new ATOM 0 HH TYR A 47 7.100 8.223 1.379 1.00 10.00 H new ATOM 718 N ASN A 48 4.732 8.909 7.466 1.00 10.00 N ATOM 719 CA ASN A 48 5.855 9.814 7.636 1.00 10.00 C ATOM 720 C ASN A 48 7.149 9.189 7.090 1.00 10.00 C ATOM 721 O ASN A 48 7.475 8.056 7.448 1.00 10.00 O ATOM 722 CB ASN A 48 6.001 10.226 9.103 1.00 10.00 C ATOM 723 CG ASN A 48 6.254 9.105 10.115 1.00 10.00 C ATOM 724 OD1 ASN A 48 7.328 8.510 10.163 1.00 10.00 O ATOM 725 ND2 ASN A 48 5.289 8.874 11.002 1.00 10.00 N ATOM 0 H ASN A 48 4.814 8.056 8.019 1.00 10.00 H new ATOM 0 HA ASN A 48 5.660 10.718 7.058 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.822 10.940 9.175 1.00 10.00 H new ATOM 0 HB3 ASN A 48 5.094 10.752 9.400 1.00 10.00 H new ATOM 0 HD21 ASN A 48 5.432 8.189 11.744 1.00 10.00 H new ATOM 0 HD22 ASN A 48 4.407 9.382 10.940 1.00 10.00 H new ATOM 732 N PRO A 49 7.909 9.902 6.241 1.00 10.00 N ATOM 733 CA PRO A 49 9.167 9.419 5.691 1.00 10.00 C ATOM 734 C PRO A 49 10.260 9.546 6.754 1.00 10.00 C ATOM 735 O PRO A 49 11.184 10.347 6.626 1.00 10.00 O ATOM 736 CB PRO A 49 9.426 10.305 4.470 1.00 10.00 C ATOM 737 CG PRO A 49 8.845 11.647 4.913 1.00 10.00 C ATOM 738 CD PRO A 49 7.616 11.228 5.721 1.00 10.00 C ATOM 0 HA PRO A 49 9.147 8.369 5.400 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.489 10.378 4.239 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.931 9.922 3.577 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.552 12.216 5.517 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.577 12.273 4.062 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.424 11.931 6.532 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.724 11.213 5.095 1.00 10.00 H new ATOM 746 N LYS A 50 10.130 8.772 7.831 1.00 10.00 N ATOM 747 CA LYS A 50 11.067 8.776 8.940 1.00 10.00 C ATOM 748 C LYS A 50 11.177 7.355 9.483 1.00 10.00 C ATOM 749 O LYS A 50 12.266 6.786 9.478 1.00 10.00 O ATOM 750 CB LYS A 50 10.629 9.829 9.978 1.00 10.00 C ATOM 751 CG LYS A 50 11.706 10.168 11.021 1.00 10.00 C ATOM 752 CD LYS A 50 11.678 9.185 12.196 1.00 10.00 C ATOM 753 CE LYS A 50 12.811 9.427 13.200 1.00 10.00 C ATOM 754 NZ LYS A 50 12.721 8.470 14.321 1.00 10.00 N ATOM 0 H LYS A 50 9.358 8.117 7.954 1.00 10.00 H new ATOM 0 HA LYS A 50 12.070 9.070 8.630 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.344 10.742 9.455 1.00 10.00 H new ATOM 0 HB3 LYS A 50 9.740 9.467 10.494 1.00 10.00 H new ATOM 0 HG2 LYS A 50 12.689 10.147 10.551 1.00 10.00 H new ATOM 0 HG3 LYS A 50 11.551 11.182 11.390 1.00 10.00 H new ATOM 0 HD2 LYS A 50 10.720 9.267 12.709 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.749 8.167 11.814 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.775 9.323 12.702 1.00 10.00 H new ATOM 0 HE3 LYS A 50 12.757 10.447 13.580 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 12.587 8.990 15.212 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 11.914 7.832 14.169 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 13.598 7.913 14.373 1.00 10.00 H new ATOM 768 N GLU A 51 10.062 6.784 9.948 1.00 10.00 N ATOM 769 CA GLU A 51 10.053 5.425 10.479 1.00 10.00 C ATOM 770 C GLU A 51 9.813 4.405 9.355 1.00 10.00 C ATOM 771 O GLU A 51 10.256 3.264 9.458 1.00 10.00 O ATOM 772 CB GLU A 51 8.980 5.308 11.566 1.00 10.00 C ATOM 773 CG GLU A 51 9.128 6.319 12.717 1.00 10.00 C ATOM 774 CD GLU A 51 10.251 5.965 13.684 1.00 10.00 C ATOM 775 OE1 GLU A 51 9.961 5.256 14.666 1.00 10.00 O ATOM 776 OE2 GLU A 51 11.378 6.469 13.477 1.00 10.00 O ATOM 0 H GLU A 51 9.153 7.247 9.966 1.00 10.00 H new ATOM 0 HA GLU A 51 11.025 5.206 10.920 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.000 5.439 11.107 1.00 10.00 H new ATOM 0 HB3 GLU A 51 9.007 4.300 11.979 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.314 7.309 12.301 1.00 10.00 H new ATOM 0 HG3 GLU A 51 8.188 6.375 13.266 1.00 10.00 H new ATOM 783 N ALA A 52 9.113 4.814 8.289 1.00 10.00 N ATOM 784 CA ALA A 52 8.764 3.987 7.142 1.00 10.00 C ATOM 785 C ALA A 52 9.286 4.637 5.862 1.00 10.00 C ATOM 786 O ALA A 52 9.815 5.751 5.887 1.00 10.00 O ATOM 787 CB ALA A 52 7.241 3.853 7.094 1.00 10.00 C ATOM 0 H ALA A 52 8.764 5.769 8.205 1.00 10.00 H new ATOM 0 HA ALA A 52 9.216 2.999 7.231 1.00 10.00 H new ATOM 0 HB1 ALA A 52 6.957 3.237 6.241 1.00 10.00 H new ATOM 0 HB2 ALA A 52 6.888 3.386 8.013 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.792 4.841 6.993 1.00 10.00 H new ATOM 793 N SER A 53 9.141 3.951 4.725 1.00 10.00 N ATOM 794 CA SER A 53 9.472 4.488 3.413 1.00 10.00 C ATOM 795 C SER A 53 8.631 3.802 2.340 1.00 10.00 C ATOM 796 O SER A 53 8.209 2.656 2.503 1.00 10.00 O ATOM 797 CB SER A 53 10.961 4.327 3.096 1.00 10.00 C ATOM 798 OG SER A 53 11.770 4.659 4.209 1.00 10.00 O ATOM 0 H SER A 53 8.786 2.995 4.695 1.00 10.00 H new ATOM 0 HA SER A 53 9.248 5.555 3.423 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.160 3.299 2.795 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.225 4.963 2.251 1.00 10.00 H new ATOM 0 HG SER A 53 12.714 4.544 3.973 1.00 10.00 H new ATOM 804 N VAL A 54 8.438 4.499 1.221 1.00 10.00 N ATOM 805 CA VAL A 54 7.719 3.992 0.063 1.00 10.00 C ATOM 806 C VAL A 54 8.341 2.679 -0.415 1.00 10.00 C ATOM 807 O VAL A 54 7.642 1.695 -0.628 1.00 10.00 O ATOM 808 CB VAL A 54 7.636 5.075 -1.031 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.990 5.632 -1.494 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.869 4.559 -2.252 1.00 10.00 C ATOM 0 H VAL A 54 8.785 5.450 1.096 1.00 10.00 H new ATOM 0 HA VAL A 54 6.690 3.758 0.337 1.00 10.00 H new ATOM 0 HB VAL A 54 7.106 5.900 -0.556 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.829 6.387 -2.264 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.507 6.082 -0.647 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.597 4.823 -1.901 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.824 5.341 -3.010 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.379 3.687 -2.660 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.857 4.282 -1.956 1.00 10.00 H new ATOM 820 N SER A 55 9.664 2.646 -0.550 1.00 10.00 N ATOM 821 CA SER A 55 10.423 1.477 -0.959 1.00 10.00 C ATOM 822 C SER A 55 10.212 0.293 -0.006 1.00 10.00 C ATOM 823 O SER A 55 10.121 -0.849 -0.452 1.00 10.00 O ATOM 824 CB SER A 55 11.897 1.894 -1.028 1.00 10.00 C ATOM 825 OG SER A 55 12.143 2.937 -0.093 1.00 10.00 O ATOM 0 H SER A 55 10.252 3.460 -0.371 1.00 10.00 H new ATOM 0 HA SER A 55 10.081 1.130 -1.934 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.538 1.039 -0.811 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.144 2.230 -2.035 1.00 10.00 H new ATOM 0 HG SER A 55 13.086 3.201 -0.138 1.00 10.00 H new ATOM 831 N ASP A 56 10.141 0.563 1.299 1.00 10.00 N ATOM 832 CA ASP A 56 9.976 -0.468 2.311 1.00 10.00 C ATOM 833 C ASP A 56 8.604 -1.108 2.121 1.00 10.00 C ATOM 834 O ASP A 56 8.474 -2.299 1.823 1.00 10.00 O ATOM 835 CB ASP A 56 10.136 0.167 3.701 1.00 10.00 C ATOM 836 CG ASP A 56 10.014 -0.854 4.824 1.00 10.00 C ATOM 837 OD1 ASP A 56 8.967 -1.533 4.872 1.00 10.00 O ATOM 838 OD2 ASP A 56 10.965 -0.917 5.630 1.00 10.00 O ATOM 0 H ASP A 56 10.197 1.508 1.679 1.00 10.00 H new ATOM 0 HA ASP A 56 10.732 -1.248 2.218 1.00 10.00 H new ATOM 0 HB2 ASP A 56 11.107 0.657 3.764 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.379 0.940 3.833 1.00 10.00 H new ATOM 843 N LEU A 57 7.563 -0.277 2.210 1.00 10.00 N ATOM 844 CA LEU A 57 6.204 -0.776 2.114 1.00 10.00 C ATOM 845 C LEU A 57 5.957 -1.416 0.745 1.00 10.00 C ATOM 846 O LEU A 57 5.212 -2.388 0.655 1.00 10.00 O ATOM 847 CB LEU A 57 5.189 0.297 2.525 1.00 10.00 C ATOM 848 CG LEU A 57 5.091 1.479 1.557 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.120 1.218 0.399 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.648 2.734 2.315 1.00 10.00 C ATOM 0 H LEU A 57 7.640 0.731 2.347 1.00 10.00 H new ATOM 0 HA LEU A 57 6.058 -1.581 2.834 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.206 -0.166 2.615 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.456 0.673 3.513 1.00 10.00 H new ATOM 0 HG LEU A 57 6.083 1.621 1.127 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.091 2.090 -0.255 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.455 0.350 -0.168 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.123 1.029 0.796 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.580 3.573 1.622 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.673 2.559 2.770 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.375 2.965 3.093 1.00 10.00 H new ATOM 862 N LYS A 58 6.599 -0.916 -0.319 1.00 10.00 N ATOM 863 CA LYS A 58 6.578 -1.560 -1.629 1.00 10.00 C ATOM 864 C LYS A 58 6.924 -3.043 -1.472 1.00 10.00 C ATOM 865 O LYS A 58 6.166 -3.902 -1.921 1.00 10.00 O ATOM 866 CB LYS A 58 7.561 -0.845 -2.573 1.00 10.00 C ATOM 867 CG LYS A 58 7.338 -1.039 -4.074 1.00 10.00 C ATOM 868 CD LYS A 58 7.423 -2.510 -4.493 1.00 10.00 C ATOM 869 CE LYS A 58 8.072 -2.719 -5.869 1.00 10.00 C ATOM 870 NZ LYS A 58 7.458 -1.901 -6.933 1.00 10.00 N ATOM 0 H LYS A 58 7.145 -0.055 -0.291 1.00 10.00 H new ATOM 0 HA LYS A 58 5.582 -1.489 -2.067 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.522 0.223 -2.359 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.569 -1.182 -2.333 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.360 -0.642 -4.347 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.081 -0.464 -4.626 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.993 -3.060 -3.744 1.00 10.00 H new ATOM 0 HD3 LYS A 58 6.419 -2.935 -4.505 1.00 10.00 H new ATOM 0 HE2 LYS A 58 9.133 -2.480 -5.803 1.00 10.00 H new ATOM 0 HE3 LYS A 58 7.999 -3.772 -6.142 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 7.820 -2.207 -7.859 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 6.425 -2.019 -6.909 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 7.696 -0.900 -6.782 1.00 10.00 H new ATOM 884 N GLU A 59 8.063 -3.338 -0.837 1.00 10.00 N ATOM 885 CA GLU A 59 8.482 -4.715 -0.607 1.00 10.00 C ATOM 886 C GLU A 59 7.424 -5.459 0.210 1.00 10.00 C ATOM 887 O GLU A 59 7.134 -6.619 -0.052 1.00 10.00 O ATOM 888 CB GLU A 59 9.844 -4.770 0.101 1.00 10.00 C ATOM 889 CG GLU A 59 10.494 -6.149 -0.109 1.00 10.00 C ATOM 890 CD GLU A 59 11.480 -6.501 0.995 1.00 10.00 C ATOM 891 OE1 GLU A 59 11.015 -7.115 1.984 1.00 10.00 O ATOM 892 OE2 GLU A 59 12.678 -6.204 0.818 1.00 10.00 O ATOM 0 H GLU A 59 8.709 -2.637 -0.474 1.00 10.00 H new ATOM 0 HA GLU A 59 8.589 -5.204 -1.575 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.497 -3.989 -0.288 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.717 -4.578 1.166 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.716 -6.911 -0.154 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.009 -6.162 -1.070 1.00 10.00 H new ATOM 899 N ALA A 60 6.837 -4.793 1.204 1.00 10.00 N ATOM 900 CA ALA A 60 5.812 -5.369 2.065 1.00 10.00 C ATOM 901 C ALA A 60 4.573 -5.767 1.258 1.00 10.00 C ATOM 902 O ALA A 60 3.977 -6.813 1.516 1.00 10.00 O ATOM 903 CB ALA A 60 5.455 -4.404 3.199 1.00 10.00 C ATOM 0 H ALA A 60 7.065 -3.826 1.434 1.00 10.00 H new ATOM 0 HA ALA A 60 6.214 -6.278 2.513 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.688 -4.853 3.831 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.344 -4.200 3.796 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.079 -3.471 2.778 1.00 10.00 H new ATOM 909 N VAL A 61 4.185 -4.946 0.277 1.00 10.00 N ATOM 910 CA VAL A 61 3.111 -5.282 -0.644 1.00 10.00 C ATOM 911 C VAL A 61 3.543 -6.457 -1.517 1.00 10.00 C ATOM 912 O VAL A 61 2.829 -7.454 -1.600 1.00 10.00 O ATOM 913 CB VAL A 61 2.683 -4.057 -1.469 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.548 -4.453 -2.424 1.00 10.00 C ATOM 915 CG2 VAL A 61 2.230 -2.919 -0.540 1.00 10.00 C ATOM 0 H VAL A 61 4.609 -4.034 0.105 1.00 10.00 H new ATOM 0 HA VAL A 61 2.230 -5.588 -0.080 1.00 10.00 H new ATOM 0 HB VAL A 61 3.533 -3.703 -2.053 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.245 -3.584 -3.009 1.00 10.00 H new ATOM 0 HG12 VAL A 61 1.895 -5.239 -3.095 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.698 -4.817 -1.847 1.00 10.00 H new ATOM 0 HG21 VAL A 61 1.930 -2.059 -1.138 1.00 10.00 H new ATOM 0 HG22 VAL A 61 1.385 -3.255 0.062 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.053 -2.636 0.116 1.00 10.00 H new ATOM 925 N ASP A 62 4.724 -6.365 -2.134 1.00 10.00 N ATOM 926 CA ASP A 62 5.241 -7.431 -2.984 1.00 10.00 C ATOM 927 C ASP A 62 5.256 -8.762 -2.216 1.00 10.00 C ATOM 928 O ASP A 62 4.844 -9.792 -2.745 1.00 10.00 O ATOM 929 CB ASP A 62 6.614 -7.038 -3.551 1.00 10.00 C ATOM 930 CG ASP A 62 6.834 -7.614 -4.946 1.00 10.00 C ATOM 931 OD1 ASP A 62 7.227 -8.795 -5.025 1.00 10.00 O ATOM 932 OD2 ASP A 62 6.624 -6.849 -5.917 1.00 10.00 O ATOM 0 H ASP A 62 5.341 -5.556 -2.057 1.00 10.00 H new ATOM 0 HA ASP A 62 4.583 -7.576 -3.840 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.695 -5.952 -3.589 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.399 -7.393 -2.883 1.00 10.00 H new ATOM 937 N LYS A 63 5.617 -8.723 -0.923 1.00 10.00 N ATOM 938 CA LYS A 63 5.593 -9.869 -0.018 1.00 10.00 C ATOM 939 C LYS A 63 4.247 -10.612 -0.033 1.00 10.00 C ATOM 940 O LYS A 63 4.218 -11.817 0.208 1.00 10.00 O ATOM 941 CB LYS A 63 5.946 -9.426 1.420 1.00 10.00 C ATOM 942 CG LYS A 63 7.281 -9.994 1.925 1.00 10.00 C ATOM 943 CD LYS A 63 8.445 -9.205 1.307 1.00 10.00 C ATOM 944 CE LYS A 63 9.797 -9.935 1.381 1.00 10.00 C ATOM 945 NZ LYS A 63 10.571 -9.602 2.595 1.00 10.00 N ATOM 0 H LYS A 63 5.941 -7.867 -0.472 1.00 10.00 H new ATOM 0 HA LYS A 63 6.346 -10.571 -0.377 1.00 10.00 H new ATOM 0 HB2 LYS A 63 5.986 -8.337 1.457 1.00 10.00 H new ATOM 0 HB3 LYS A 63 5.149 -9.739 2.094 1.00 10.00 H new ATOM 0 HG2 LYS A 63 7.325 -9.934 3.012 1.00 10.00 H new ATOM 0 HG3 LYS A 63 7.362 -11.048 1.660 1.00 10.00 H new ATOM 0 HD2 LYS A 63 8.214 -8.992 0.263 1.00 10.00 H new ATOM 0 HD3 LYS A 63 8.532 -8.245 1.816 1.00 10.00 H new ATOM 0 HE2 LYS A 63 9.624 -11.011 1.352 1.00 10.00 H new ATOM 0 HE3 LYS A 63 10.388 -9.683 0.500 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 11.548 -9.942 2.488 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 10.576 -8.571 2.732 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 10.135 -10.059 3.421 1.00 10.00 H new ATOM 959 N LEU A 64 3.134 -9.906 -0.256 1.00 10.00 N ATOM 960 CA LEU A 64 1.807 -10.507 -0.308 1.00 10.00 C ATOM 961 C LEU A 64 1.540 -11.164 -1.667 1.00 10.00 C ATOM 962 O LEU A 64 0.755 -12.109 -1.726 1.00 10.00 O ATOM 963 CB LEU A 64 0.745 -9.449 0.005 1.00 10.00 C ATOM 964 CG LEU A 64 0.772 -8.993 1.470 1.00 10.00 C ATOM 965 CD1 LEU A 64 0.161 -7.595 1.590 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.021 -9.955 2.364 1.00 10.00 C ATOM 0 H LEU A 64 3.133 -8.897 -0.406 1.00 10.00 H new ATOM 0 HA LEU A 64 1.757 -11.293 0.445 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.898 -8.585 -0.642 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.241 -9.851 -0.227 1.00 10.00 H new ATOM 0 HG LEU A 64 1.812 -8.981 1.797 1.00 10.00 H new ATOM 0 HD11 LEU A 64 0.183 -7.277 2.632 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.735 -6.894 0.984 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -0.871 -7.618 1.239 1.00 10.00 H new ATOM 0 HD21 LEU A 64 0.016 -9.606 3.396 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.058 -9.991 2.030 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.415 -10.952 2.302 1.00 10.00 H new ATOM 978 N GLY A 65 2.169 -10.686 -2.748 1.00 10.00 N ATOM 979 CA GLY A 65 2.117 -11.327 -4.059 1.00 10.00 C ATOM 980 C GLY A 65 1.873 -10.323 -5.183 1.00 10.00 C ATOM 981 O GLY A 65 2.616 -10.283 -6.162 1.00 10.00 O ATOM 0 H GLY A 65 2.732 -9.836 -2.732 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.054 -11.853 -4.241 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.325 -12.075 -4.064 1.00 10.00 H new ATOM 985 N TYR A 66 0.798 -9.540 -5.070 1.00 10.00 N ATOM 986 CA TYR A 66 0.447 -8.535 -6.071 1.00 10.00 C ATOM 987 C TYR A 66 1.525 -7.451 -6.163 1.00 10.00 C ATOM 988 O TYR A 66 2.273 -7.213 -5.216 1.00 10.00 O ATOM 989 CB TYR A 66 -0.949 -7.939 -5.821 1.00 10.00 C ATOM 990 CG TYR A 66 -1.432 -7.996 -4.391 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.722 -7.312 -3.391 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.457 -8.893 -4.037 1.00 10.00 C ATOM 993 CE1 TYR A 66 -1.053 -7.506 -2.044 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.786 -9.078 -2.686 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.121 -8.350 -1.696 1.00 10.00 C ATOM 996 OH TYR A 66 -2.524 -8.461 -0.403 1.00 10.00 O ATOM 0 H TYR A 66 0.149 -9.586 -4.284 1.00 10.00 H new ATOM 0 HA TYR A 66 0.402 -9.035 -7.038 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.944 -6.898 -6.144 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.668 -8.464 -6.450 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.078 -6.638 -3.660 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.989 -9.437 -4.803 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.487 -7.006 -1.272 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.555 -9.785 -2.410 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.468 -8.206 -0.331 1.00 10.00 H new ATOM 1006 N LYS A 67 1.595 -6.802 -7.325 1.00 10.00 N ATOM 1007 CA LYS A 67 2.601 -5.802 -7.642 1.00 10.00 C ATOM 1008 C LYS A 67 2.071 -4.424 -7.255 1.00 10.00 C ATOM 1009 O LYS A 67 0.860 -4.212 -7.199 1.00 10.00 O ATOM 1010 CB LYS A 67 2.946 -5.871 -9.142 1.00 10.00 C ATOM 1011 CG LYS A 67 4.421 -6.177 -9.422 1.00 10.00 C ATOM 1012 CD LYS A 67 4.852 -7.557 -8.896 1.00 10.00 C ATOM 1013 CE LYS A 67 6.178 -8.009 -9.526 1.00 10.00 C ATOM 1014 NZ LYS A 67 5.981 -8.622 -10.857 1.00 10.00 N ATOM 0 H LYS A 67 0.936 -6.964 -8.086 1.00 10.00 H new ATOM 0 HA LYS A 67 3.515 -5.993 -7.079 1.00 10.00 H new ATOM 0 HB2 LYS A 67 2.330 -6.637 -9.613 1.00 10.00 H new ATOM 0 HB3 LYS A 67 2.686 -4.921 -9.609 1.00 10.00 H new ATOM 0 HG2 LYS A 67 4.600 -6.130 -10.496 1.00 10.00 H new ATOM 0 HG3 LYS A 67 5.041 -5.408 -8.962 1.00 10.00 H new ATOM 0 HD2 LYS A 67 4.957 -7.518 -7.812 1.00 10.00 H new ATOM 0 HD3 LYS A 67 4.075 -8.290 -9.114 1.00 10.00 H new ATOM 0 HE2 LYS A 67 6.846 -7.153 -9.617 1.00 10.00 H new ATOM 0 HE3 LYS A 67 6.667 -8.726 -8.866 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 6.901 -8.912 -11.245 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 5.365 -9.455 -10.768 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 5.538 -7.931 -11.496 1.00 10.00 H new ATOM 1028 N LEU A 68 2.992 -3.487 -7.016 1.00 10.00 N ATOM 1029 CA LEU A 68 2.703 -2.111 -6.677 1.00 10.00 C ATOM 1030 C LEU A 68 3.771 -1.255 -7.343 1.00 10.00 C ATOM 1031 O LEU A 68 4.899 -1.716 -7.543 1.00 10.00 O ATOM 1032 CB LEU A 68 2.723 -1.944 -5.157 1.00 10.00 C ATOM 1033 CG LEU A 68 2.285 -0.553 -4.672 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.359 -0.686 -3.461 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.511 0.274 -4.255 1.00 10.00 C ATOM 0 H LEU A 68 3.992 -3.683 -7.057 1.00 10.00 H new ATOM 0 HA LEU A 68 1.715 -1.809 -7.025 1.00 10.00 H new ATOM 0 HB2 LEU A 68 2.070 -2.694 -4.711 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.731 -2.143 -4.794 1.00 10.00 H new ATOM 0 HG LEU A 68 1.762 -0.057 -5.490 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.054 0.305 -3.125 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.476 -1.262 -3.739 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.886 -1.196 -2.655 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.188 1.257 -3.913 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.036 -0.236 -3.448 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.180 0.388 -5.108 1.00 10.00 H new ATOM 1047 N LYS A 69 3.423 -0.015 -7.663 1.00 10.00 N ATOM 1048 CA LYS A 69 4.265 0.965 -8.323 1.00 10.00 C ATOM 1049 C LYS A 69 3.761 2.358 -7.947 1.00 10.00 C ATOM 1050 O LYS A 69 2.650 2.483 -7.441 1.00 10.00 O ATOM 1051 CB LYS A 69 4.202 0.758 -9.842 1.00 10.00 C ATOM 1052 CG LYS A 69 2.756 0.820 -10.370 1.00 10.00 C ATOM 1053 CD LYS A 69 2.636 1.672 -11.639 1.00 10.00 C ATOM 1054 CE LYS A 69 3.222 0.945 -12.853 1.00 10.00 C ATOM 1055 NZ LYS A 69 3.155 1.790 -14.060 1.00 10.00 N ATOM 0 H LYS A 69 2.493 0.350 -7.456 1.00 10.00 H new ATOM 0 HA LYS A 69 5.303 0.855 -8.008 1.00 10.00 H new ATOM 0 HB2 LYS A 69 4.803 1.521 -10.338 1.00 10.00 H new ATOM 0 HB3 LYS A 69 4.640 -0.207 -10.095 1.00 10.00 H new ATOM 0 HG2 LYS A 69 2.404 -0.190 -10.579 1.00 10.00 H new ATOM 0 HG3 LYS A 69 2.106 1.230 -9.597 1.00 10.00 H new ATOM 0 HD2 LYS A 69 1.588 1.907 -11.824 1.00 10.00 H new ATOM 0 HD3 LYS A 69 3.155 2.620 -11.494 1.00 10.00 H new ATOM 0 HE2 LYS A 69 4.258 0.673 -12.653 1.00 10.00 H new ATOM 0 HE3 LYS A 69 2.676 0.017 -13.024 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 3.558 1.274 -14.868 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 2.163 2.029 -14.262 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 3.696 2.664 -13.902 1.00 10.00 H new ATOM 1069 N LEU A 70 4.555 3.393 -8.221 1.00 10.00 N ATOM 1070 CA LEU A 70 4.169 4.778 -7.978 1.00 10.00 C ATOM 1071 C LEU A 70 2.984 5.186 -8.848 1.00 10.00 C ATOM 1072 O LEU A 70 2.834 4.702 -9.970 1.00 10.00 O ATOM 1073 CB LEU A 70 5.389 5.700 -8.141 1.00 10.00 C ATOM 1074 CG LEU A 70 5.128 7.206 -8.359 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.403 7.976 -7.997 1.00 10.00 C ATOM 1076 CD2 LEU A 70 4.776 7.547 -9.818 1.00 10.00 C ATOM 0 H LEU A 70 5.488 3.291 -8.620 1.00 10.00 H new ATOM 0 HA LEU A 70 3.825 4.879 -6.949 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.011 5.593 -7.252 1.00 10.00 H new ATOM 0 HB3 LEU A 70 5.974 5.336 -8.985 1.00 10.00 H new ATOM 0 HG LEU A 70 4.280 7.482 -7.732 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.238 9.043 -8.145 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.657 7.789 -6.954 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.222 7.644 -8.635 1.00 10.00 H new ATOM 0 HD21 LEU A 70 4.603 8.619 -9.910 1.00 10.00 H new ATOM 0 HD22 LEU A 70 5.600 7.255 -10.469 1.00 10.00 H new ATOM 0 HD23 LEU A 70 3.875 7.008 -10.110 1.00 10.00 H new ATOM 1088 N LYS A 71 2.172 6.100 -8.310 1.00 10.00 N ATOM 1089 CA LYS A 71 1.063 6.754 -8.989 1.00 10.00 C ATOM 1090 C LYS A 71 1.120 8.277 -8.836 1.00 10.00 C ATOM 1091 O LYS A 71 0.952 8.992 -9.819 1.00 10.00 O ATOM 1092 CB LYS A 71 -0.275 6.149 -8.539 1.00 10.00 C ATOM 1093 CG LYS A 71 -1.471 6.505 -9.424 1.00 10.00 C ATOM 1094 CD LYS A 71 -1.379 5.859 -10.811 1.00 10.00 C ATOM 1095 CE LYS A 71 -2.780 5.749 -11.431 1.00 10.00 C ATOM 1096 NZ LYS A 71 -2.787 4.907 -12.640 1.00 10.00 N ATOM 0 H LYS A 71 2.279 6.415 -7.346 1.00 10.00 H new ATOM 0 HA LYS A 71 1.153 6.566 -10.059 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.175 5.064 -8.508 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.483 6.480 -7.521 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.391 6.183 -8.936 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.530 7.588 -9.533 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.732 6.453 -11.456 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -0.928 4.870 -10.732 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -3.469 5.333 -10.696 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -3.144 6.745 -11.682 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.714 4.445 -12.736 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.607 5.499 -13.476 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -2.045 4.182 -12.562 1.00 10.00 H new