USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 473 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 70:sc= 1.16 USER MOD Single : A 12 MET CE :methyl -131:sc= -0.212 (180deg=-0.4) USER MOD Single : A 14 LYS NZ :NH3+ -154:sc= 1.23 (180deg=0.0319) USER MOD Single : A 16 ASN : amide:sc= -3.8! C(o=-3.8!,f=-7.7!) USER MOD Single : A 17 GLN : amide:sc= -0.547 K(o=-0.55,f=-3.9!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.026 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00476 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -105:sc= 1.15 USER MOD Single : A 38 TYR OH : rot 30:sc= -0.125 USER MOD Single : A 40 MET CE :methyl -161:sc= -0.137 (180deg=-0.625) USER MOD Single : A 48 LYS NZ :NH3+ -109:sc= -0.839 (180deg=-3.53!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -163:sc= -7.39! (180deg=-8.18!) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= -0.0978 (180deg=-0.538) USER MOD Single : A 55 TYR OH : rot -156:sc= 0.939 USER MOD Single : A 57 SER OG : rot -87:sc= 1.02 USER MOD Single : A 58 ASN : amide:sc= -2.99! C(o=-3!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 20 N MET A 3 -9.167 -4.033 8.714 1.00 0.00 N ATOM 21 CA MET A 3 -8.559 -3.041 9.576 1.00 0.00 C ATOM 22 C MET A 3 -7.098 -3.391 9.822 1.00 0.00 C ATOM 23 O MET A 3 -6.213 -2.540 9.717 1.00 0.00 O ATOM 24 CB MET A 3 -9.331 -2.986 10.897 1.00 0.00 C ATOM 25 CG MET A 3 -8.625 -2.212 11.988 1.00 0.00 C ATOM 26 SD MET A 3 -8.443 -0.459 11.602 1.00 0.00 S ATOM 27 CE MET A 3 -7.625 0.117 13.091 1.00 0.00 C ATOM 0 HA MET A 3 -8.599 -2.062 9.098 1.00 0.00 H new ATOM 0 HB2 MET A 3 -10.307 -2.534 10.718 1.00 0.00 H new ATOM 0 HB3 MET A 3 -9.510 -4.004 11.245 1.00 0.00 H new ATOM 0 HG2 MET A 3 -9.181 -2.318 12.919 1.00 0.00 H new ATOM 0 HG3 MET A 3 -7.639 -2.646 12.155 1.00 0.00 H new ATOM 0 HE1 MET A 3 -7.440 1.188 13.013 1.00 0.00 H new ATOM 0 HE2 MET A 3 -8.261 -0.079 13.954 1.00 0.00 H new ATOM 0 HE3 MET A 3 -6.677 -0.407 13.211 1.00 0.00 H new ATOM 37 N GLU A 4 -6.860 -4.664 10.123 1.00 0.00 N ATOM 38 CA GLU A 4 -5.518 -5.168 10.372 1.00 0.00 C ATOM 39 C GLU A 4 -4.689 -5.069 9.102 1.00 0.00 C ATOM 40 O GLU A 4 -3.560 -4.574 9.106 1.00 0.00 O ATOM 41 CB GLU A 4 -5.593 -6.620 10.815 1.00 0.00 C ATOM 42 CG GLU A 4 -6.588 -6.851 11.928 1.00 0.00 C ATOM 43 CD GLU A 4 -7.333 -8.160 11.776 1.00 0.00 C ATOM 44 OE1 GLU A 4 -7.891 -8.407 10.683 1.00 0.00 O ATOM 45 OE2 GLU A 4 -7.379 -8.938 12.748 1.00 0.00 O ATOM 0 H GLU A 4 -7.591 -5.371 10.200 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.051 -4.572 11.156 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.863 -7.241 9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.606 -6.944 11.145 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.066 -6.842 12.885 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.304 -6.029 11.948 1.00 0.00 H new ATOM 52 N ALA A 5 -5.288 -5.534 8.015 1.00 0.00 N ATOM 53 CA ALA A 5 -4.655 -5.522 6.708 1.00 0.00 C ATOM 54 C ALA A 5 -4.290 -4.103 6.283 1.00 0.00 C ATOM 55 O ALA A 5 -3.195 -3.862 5.777 1.00 0.00 O ATOM 56 CB ALA A 5 -5.583 -6.164 5.692 1.00 0.00 C ATOM 0 H ALA A 5 -6.228 -5.930 8.017 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.729 -6.094 6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.109 -6.156 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.789 -7.193 5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.518 -5.605 5.649 1.00 0.00 H new ATOM 62 N GLU A 6 -5.207 -3.168 6.508 1.00 0.00 N ATOM 63 CA GLU A 6 -4.986 -1.775 6.140 1.00 0.00 C ATOM 64 C GLU A 6 -3.827 -1.189 6.931 1.00 0.00 C ATOM 65 O GLU A 6 -2.920 -0.579 6.368 1.00 0.00 O ATOM 66 CB GLU A 6 -6.240 -0.951 6.408 1.00 0.00 C ATOM 67 CG GLU A 6 -6.148 0.474 5.897 1.00 0.00 C ATOM 68 CD GLU A 6 -7.316 1.334 6.327 1.00 0.00 C ATOM 69 OE1 GLU A 6 -8.440 1.118 5.833 1.00 0.00 O ATOM 70 OE2 GLU A 6 -7.109 2.253 7.148 1.00 0.00 O ATOM 0 H GLU A 6 -6.111 -3.350 6.944 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.748 -1.742 5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.094 -1.442 5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.430 -0.932 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.222 0.923 6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.095 0.461 4.808 1.00 0.00 H new ATOM 77 N LYS A 7 -3.876 -1.387 8.242 1.00 0.00 N ATOM 78 CA LYS A 7 -2.855 -0.880 9.154 1.00 0.00 C ATOM 79 C LYS A 7 -1.444 -1.230 8.689 1.00 0.00 C ATOM 80 O LYS A 7 -0.578 -0.356 8.587 1.00 0.00 O ATOM 81 CB LYS A 7 -3.083 -1.431 10.542 1.00 0.00 C ATOM 82 CG LYS A 7 -2.220 -0.763 11.591 1.00 0.00 C ATOM 83 CD LYS A 7 -2.046 -1.658 12.791 1.00 0.00 C ATOM 84 CE LYS A 7 -1.687 -3.049 12.323 1.00 0.00 C ATOM 85 NZ LYS A 7 -1.032 -3.858 13.381 1.00 0.00 N ATOM 0 H LYS A 7 -4.624 -1.903 8.705 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.941 0.207 9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.132 -1.306 10.809 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.880 -2.502 10.540 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.245 -0.522 11.167 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.676 0.179 11.897 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.264 -1.267 13.442 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.965 -1.684 13.377 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.590 -3.559 11.988 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.023 -2.978 11.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.807 -4.802 13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.155 -3.388 13.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.674 -3.952 14.194 1.00 0.00 H new ATOM 99 N GLU A 8 -1.211 -2.502 8.400 1.00 0.00 N ATOM 100 CA GLU A 8 0.107 -2.936 7.960 1.00 0.00 C ATOM 101 C GLU A 8 0.401 -2.446 6.551 1.00 0.00 C ATOM 102 O GLU A 8 1.540 -2.115 6.232 1.00 0.00 O ATOM 103 CB GLU A 8 0.248 -4.457 8.043 1.00 0.00 C ATOM 104 CG GLU A 8 0.233 -4.978 9.468 1.00 0.00 C ATOM 105 CD GLU A 8 0.675 -6.422 9.571 1.00 0.00 C ATOM 106 OE1 GLU A 8 1.902 -6.669 9.606 1.00 0.00 O ATOM 107 OE2 GLU A 8 -0.197 -7.313 9.641 1.00 0.00 O ATOM 0 H GLU A 8 -1.908 -3.244 8.461 1.00 0.00 H new ATOM 0 HA GLU A 8 0.840 -2.494 8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.563 -4.922 7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.179 -4.757 7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.886 -4.359 10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.774 -4.881 9.874 1.00 0.00 H new ATOM 114 N PHE A 9 -0.636 -2.367 5.729 1.00 0.00 N ATOM 115 CA PHE A 9 -0.501 -1.870 4.364 1.00 0.00 C ATOM 116 C PHE A 9 -0.016 -0.416 4.378 1.00 0.00 C ATOM 117 O PHE A 9 0.806 -0.015 3.564 1.00 0.00 O ATOM 118 CB PHE A 9 -1.847 -1.982 3.636 1.00 0.00 C ATOM 119 CG PHE A 9 -1.766 -1.745 2.152 1.00 0.00 C ATOM 120 CD1 PHE A 9 -1.794 -0.463 1.627 1.00 0.00 C ATOM 121 CD2 PHE A 9 -1.690 -2.818 1.284 1.00 0.00 C ATOM 122 CE1 PHE A 9 -1.753 -0.257 0.261 1.00 0.00 C ATOM 123 CE2 PHE A 9 -1.641 -2.619 -0.079 1.00 0.00 C ATOM 124 CZ PHE A 9 -1.677 -1.339 -0.592 1.00 0.00 C ATOM 0 H PHE A 9 -1.585 -2.642 5.984 1.00 0.00 H new ATOM 0 HA PHE A 9 0.236 -2.473 3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.261 -2.975 3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.543 -1.264 4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.849 0.385 2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.669 -3.823 1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.780 0.747 -0.137 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.574 -3.466 -0.746 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.646 -1.184 -1.660 1.00 0.00 H new ATOM 134 N ILE A 10 -0.504 0.362 5.326 1.00 0.00 N ATOM 135 CA ILE A 10 -0.072 1.747 5.462 1.00 0.00 C ATOM 136 C ILE A 10 1.353 1.802 6.001 1.00 0.00 C ATOM 137 O ILE A 10 2.156 2.652 5.607 1.00 0.00 O ATOM 138 CB ILE A 10 -1.004 2.526 6.410 1.00 0.00 C ATOM 139 CG1 ILE A 10 -2.447 2.445 5.916 1.00 0.00 C ATOM 140 CG2 ILE A 10 -0.565 3.980 6.528 1.00 0.00 C ATOM 141 CD1 ILE A 10 -2.670 3.094 4.565 1.00 0.00 C ATOM 0 H ILE A 10 -1.197 0.063 6.012 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.110 2.208 4.475 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.945 2.071 7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.743 1.398 5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.099 2.920 6.649 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.238 4.510 7.202 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.451 4.023 6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.593 4.449 5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.718 2.995 4.283 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.407 4.150 4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.045 2.604 3.818 1.00 0.00 H new ATOM 153 N THR A 11 1.662 0.868 6.887 1.00 0.00 N ATOM 154 CA THR A 11 2.978 0.801 7.508 1.00 0.00 C ATOM 155 C THR A 11 4.062 0.419 6.495 1.00 0.00 C ATOM 156 O THR A 11 5.143 1.009 6.476 1.00 0.00 O ATOM 157 CB THR A 11 2.986 -0.196 8.687 1.00 0.00 C ATOM 158 OG1 THR A 11 1.953 0.149 9.627 1.00 0.00 O ATOM 159 CG2 THR A 11 4.331 -0.195 9.395 1.00 0.00 C ATOM 0 H THR A 11 1.016 0.141 7.194 1.00 0.00 H new ATOM 0 HA THR A 11 3.202 1.798 7.888 1.00 0.00 H new ATOM 0 HB THR A 11 2.804 -1.193 8.287 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.076 -0.038 9.232 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.308 -0.906 10.221 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.113 -0.481 8.691 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.538 0.803 9.781 1.00 0.00 H new ATOM 167 N MET A 12 3.747 -0.532 5.629 1.00 0.00 N ATOM 168 CA MET A 12 4.681 -0.999 4.620 1.00 0.00 C ATOM 169 C MET A 12 4.868 0.082 3.581 1.00 0.00 C ATOM 170 O MET A 12 5.927 0.205 2.974 1.00 0.00 O ATOM 171 CB MET A 12 4.165 -2.286 3.966 1.00 0.00 C ATOM 172 CG MET A 12 2.771 -2.156 3.391 1.00 0.00 C ATOM 173 SD MET A 12 2.053 -3.721 2.861 1.00 0.00 S ATOM 174 CE MET A 12 3.016 -4.039 1.395 1.00 0.00 C ATOM 0 H MET A 12 2.840 -0.999 5.607 1.00 0.00 H new ATOM 0 HA MET A 12 5.639 -1.220 5.090 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.851 -2.580 3.172 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.171 -3.087 4.705 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.120 -1.704 4.139 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.801 -1.475 2.541 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.350 -4.293 0.570 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.590 -3.149 1.137 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.697 -4.869 1.580 1.00 0.00 H new ATOM 184 N LEU A 13 3.831 0.887 3.402 1.00 0.00 N ATOM 185 CA LEU A 13 3.896 1.988 2.471 1.00 0.00 C ATOM 186 C LEU A 13 4.865 3.051 2.985 1.00 0.00 C ATOM 187 O LEU A 13 5.617 3.647 2.211 1.00 0.00 O ATOM 188 CB LEU A 13 2.498 2.579 2.237 1.00 0.00 C ATOM 189 CG LEU A 13 1.741 2.051 1.004 1.00 0.00 C ATOM 190 CD1 LEU A 13 2.240 2.727 -0.258 1.00 0.00 C ATOM 191 CD2 LEU A 13 1.888 0.545 0.868 1.00 0.00 C ATOM 0 H LEU A 13 2.940 0.794 3.890 1.00 0.00 H new ATOM 0 HA LEU A 13 4.267 1.621 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.891 2.387 3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.593 3.661 2.145 1.00 0.00 H new ATOM 0 HG LEU A 13 0.685 2.284 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.693 2.341 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.083 3.803 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.304 2.524 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.342 0.204 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.943 0.290 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.485 0.058 1.756 1.00 0.00 H new ATOM 203 N LYS A 14 4.863 3.254 4.301 1.00 0.00 N ATOM 204 CA LYS A 14 5.805 4.166 4.942 1.00 0.00 C ATOM 205 C LYS A 14 7.219 3.606 4.898 1.00 0.00 C ATOM 206 O LYS A 14 8.187 4.339 4.696 1.00 0.00 O ATOM 207 CB LYS A 14 5.396 4.443 6.381 1.00 0.00 C ATOM 208 CG LYS A 14 4.555 5.682 6.512 1.00 0.00 C ATOM 209 CD LYS A 14 3.483 5.458 7.533 1.00 0.00 C ATOM 210 CE LYS A 14 2.272 6.318 7.257 1.00 0.00 C ATOM 211 NZ LYS A 14 1.233 6.218 8.320 1.00 0.00 N ATOM 0 H LYS A 14 4.217 2.797 4.945 1.00 0.00 H new ATOM 0 HA LYS A 14 5.788 5.105 4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.841 3.589 6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.290 4.548 6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.178 6.527 6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.108 5.933 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.193 4.407 7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.872 5.682 8.526 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.586 7.357 7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.836 6.026 6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.300 6.438 7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.224 5.253 8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.449 6.893 9.081 1.00 0.00 H new ATOM 225 N GLU A 15 7.327 2.298 5.083 1.00 0.00 N ATOM 226 CA GLU A 15 8.599 1.616 5.065 1.00 0.00 C ATOM 227 C GLU A 15 9.219 1.611 3.670 1.00 0.00 C ATOM 228 O GLU A 15 10.441 1.569 3.525 1.00 0.00 O ATOM 229 CB GLU A 15 8.393 0.202 5.570 1.00 0.00 C ATOM 230 CG GLU A 15 8.373 0.095 7.074 1.00 0.00 C ATOM 231 CD GLU A 15 8.175 -1.322 7.561 1.00 0.00 C ATOM 232 OE1 GLU A 15 9.158 -2.087 7.604 1.00 0.00 O ATOM 233 OE2 GLU A 15 7.034 -1.682 7.904 1.00 0.00 O ATOM 0 H GLU A 15 6.529 1.685 5.250 1.00 0.00 H new ATOM 0 HA GLU A 15 9.297 2.146 5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.453 -0.183 5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.188 -0.434 5.179 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.310 0.483 7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.574 0.724 7.467 1.00 0.00 H new ATOM 240 N ASN A 16 8.376 1.671 2.649 1.00 0.00 N ATOM 241 CA ASN A 16 8.841 1.655 1.265 1.00 0.00 C ATOM 242 C ASN A 16 9.083 3.066 0.749 1.00 0.00 C ATOM 243 O ASN A 16 9.322 3.266 -0.445 1.00 0.00 O ATOM 244 CB ASN A 16 7.838 0.918 0.371 1.00 0.00 C ATOM 245 CG ASN A 16 7.768 -0.563 0.697 1.00 0.00 C ATOM 246 OD1 ASN A 16 8.746 -1.157 1.147 1.00 0.00 O ATOM 247 ND2 ASN A 16 6.616 -1.173 0.468 1.00 0.00 N ATOM 0 H ASN A 16 7.363 1.731 2.751 1.00 0.00 H new ATOM 0 HA ASN A 16 9.791 1.121 1.235 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.850 1.363 0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.121 1.046 -0.674 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.518 -2.169 0.666 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.826 -0.647 0.094 1.00 0.00 H new ATOM 254 N GLN A 17 9.031 4.035 1.666 1.00 0.00 N ATOM 255 CA GLN A 17 9.307 5.434 1.359 1.00 0.00 C ATOM 256 C GLN A 17 8.393 5.977 0.264 1.00 0.00 C ATOM 257 O GLN A 17 8.779 6.853 -0.507 1.00 0.00 O ATOM 258 CB GLN A 17 10.763 5.576 0.964 1.00 0.00 C ATOM 259 CG GLN A 17 11.700 5.536 2.150 1.00 0.00 C ATOM 260 CD GLN A 17 11.703 6.813 2.965 1.00 0.00 C ATOM 261 OE1 GLN A 17 10.699 7.522 3.058 1.00 0.00 O ATOM 262 NE2 GLN A 17 12.841 7.116 3.560 1.00 0.00 N ATOM 0 H GLN A 17 8.795 3.867 2.644 1.00 0.00 H new ATOM 0 HA GLN A 17 9.106 6.027 2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.026 4.776 0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.900 6.517 0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.420 4.704 2.796 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.712 5.338 1.796 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.649 6.502 3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.913 7.964 4.122 1.00 0.00 H new ATOM 271 N VAL A 18 7.179 5.456 0.207 1.00 0.00 N ATOM 272 CA VAL A 18 6.246 5.825 -0.842 1.00 0.00 C ATOM 273 C VAL A 18 5.678 7.223 -0.622 1.00 0.00 C ATOM 274 O VAL A 18 5.218 7.555 0.472 1.00 0.00 O ATOM 275 CB VAL A 18 5.087 4.810 -0.926 1.00 0.00 C ATOM 276 CG1 VAL A 18 4.101 5.194 -2.017 1.00 0.00 C ATOM 277 CG2 VAL A 18 5.623 3.407 -1.161 1.00 0.00 C ATOM 0 H VAL A 18 6.817 4.776 0.876 1.00 0.00 H new ATOM 0 HA VAL A 18 6.801 5.820 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 18 4.557 4.824 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.295 4.461 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.686 6.179 -1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.614 5.218 -2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.791 2.705 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.182 3.383 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.280 3.126 -0.338 1.00 0.00 H new ATOM 287 N ASP A 19 5.741 8.047 -1.658 1.00 0.00 N ATOM 288 CA ASP A 19 5.064 9.337 -1.653 1.00 0.00 C ATOM 289 C ASP A 19 4.071 9.390 -2.805 1.00 0.00 C ATOM 290 O ASP A 19 3.730 8.356 -3.378 1.00 0.00 O ATOM 291 CB ASP A 19 6.038 10.509 -1.769 1.00 0.00 C ATOM 292 CG ASP A 19 7.039 10.592 -0.632 1.00 0.00 C ATOM 293 OD1 ASP A 19 6.686 11.133 0.441 1.00 0.00 O ATOM 294 OD2 ASP A 19 8.186 10.146 -0.807 1.00 0.00 O ATOM 0 H ASP A 19 6.255 7.845 -2.515 1.00 0.00 H new ATOM 0 HA ASP A 19 4.550 9.433 -0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.580 10.427 -2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.470 11.438 -1.808 1.00 0.00 H new ATOM 299 N SER A 20 3.630 10.584 -3.171 1.00 0.00 N ATOM 300 CA SER A 20 2.646 10.736 -4.236 1.00 0.00 C ATOM 301 C SER A 20 3.282 10.575 -5.623 1.00 0.00 C ATOM 302 O SER A 20 2.586 10.545 -6.638 1.00 0.00 O ATOM 303 CB SER A 20 1.969 12.097 -4.110 1.00 0.00 C ATOM 304 OG SER A 20 2.929 13.121 -3.915 1.00 0.00 O ATOM 0 H SER A 20 3.936 11.461 -2.749 1.00 0.00 H new ATOM 0 HA SER A 20 1.901 9.947 -4.131 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.388 12.304 -5.009 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.270 12.084 -3.274 1.00 0.00 H new ATOM 0 HG SER A 20 2.474 13.986 -3.838 1.00 0.00 H new ATOM 310 N THR A 21 4.604 10.462 -5.661 1.00 0.00 N ATOM 311 CA THR A 21 5.326 10.324 -6.921 1.00 0.00 C ATOM 312 C THR A 21 5.310 8.880 -7.419 1.00 0.00 C ATOM 313 O THR A 21 5.642 8.605 -8.573 1.00 0.00 O ATOM 314 CB THR A 21 6.780 10.800 -6.777 1.00 0.00 C ATOM 315 OG1 THR A 21 7.388 10.179 -5.634 1.00 0.00 O ATOM 316 CG2 THR A 21 6.842 12.312 -6.638 1.00 0.00 C ATOM 0 H THR A 21 5.199 10.463 -4.833 1.00 0.00 H new ATOM 0 HA THR A 21 4.815 10.951 -7.652 1.00 0.00 H new ATOM 0 HB THR A 21 7.326 10.514 -7.676 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.315 10.486 -5.550 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.881 12.626 -6.537 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.407 12.777 -7.523 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.283 12.619 -5.754 1.00 0.00 H new ATOM 324 N TRP A 22 4.918 7.971 -6.542 1.00 0.00 N ATOM 325 CA TRP A 22 4.847 6.553 -6.868 1.00 0.00 C ATOM 326 C TRP A 22 3.652 6.239 -7.764 1.00 0.00 C ATOM 327 O TRP A 22 2.547 6.736 -7.541 1.00 0.00 O ATOM 328 CB TRP A 22 4.721 5.738 -5.588 1.00 0.00 C ATOM 329 CG TRP A 22 6.022 5.310 -4.984 1.00 0.00 C ATOM 330 CD1 TRP A 22 7.036 6.097 -4.519 1.00 0.00 C ATOM 331 CD2 TRP A 22 6.417 3.963 -4.750 1.00 0.00 C ATOM 332 NE1 TRP A 22 8.042 5.305 -4.007 1.00 0.00 N ATOM 333 CE2 TRP A 22 7.676 3.985 -4.135 1.00 0.00 C ATOM 334 CE3 TRP A 22 5.818 2.735 -5.000 1.00 0.00 C ATOM 335 CZ2 TRP A 22 8.333 2.810 -3.772 1.00 0.00 C ATOM 336 CZ3 TRP A 22 6.464 1.591 -4.645 1.00 0.00 C ATOM 337 CH2 TRP A 22 7.701 1.629 -4.033 1.00 0.00 C ATOM 0 H TRP A 22 4.640 8.192 -5.586 1.00 0.00 H new ATOM 0 HA TRP A 22 5.761 6.293 -7.402 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.171 6.326 -4.853 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.124 4.850 -5.797 1.00 0.00 H new ATOM 0 HD1 TRP A 22 7.048 7.177 -4.548 1.00 0.00 H new ATOM 0 HE1 TRP A 22 8.914 5.642 -3.600 1.00 0.00 H new ATOM 0 HE3 TRP A 22 4.848 2.688 -5.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.305 2.834 -3.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 6.001 0.636 -4.846 1.00 0.00 H new ATOM 0 HH2 TRP A 22 8.180 0.702 -3.754 1.00 0.00 H new ATOM 348 N SER A 23 3.887 5.425 -8.777 1.00 0.00 N ATOM 349 CA SER A 23 2.812 4.856 -9.574 1.00 0.00 C ATOM 350 C SER A 23 2.388 3.532 -8.956 1.00 0.00 C ATOM 351 O SER A 23 3.179 2.887 -8.258 1.00 0.00 O ATOM 352 CB SER A 23 3.283 4.646 -11.013 1.00 0.00 C ATOM 353 OG SER A 23 2.388 3.821 -11.741 1.00 0.00 O ATOM 0 H SER A 23 4.822 5.140 -9.070 1.00 0.00 H new ATOM 0 HA SER A 23 1.962 5.538 -9.588 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.375 5.611 -11.511 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.275 4.193 -11.009 1.00 0.00 H new ATOM 0 HG SER A 23 2.718 3.709 -12.657 1.00 0.00 H new ATOM 359 N PHE A 24 1.158 3.097 -9.222 1.00 0.00 N ATOM 360 CA PHE A 24 0.666 1.867 -8.613 1.00 0.00 C ATOM 361 C PHE A 24 1.141 0.668 -9.430 1.00 0.00 C ATOM 362 O PHE A 24 0.746 -0.474 -9.205 1.00 0.00 O ATOM 363 CB PHE A 24 -0.863 1.941 -8.617 1.00 0.00 C ATOM 364 CG PHE A 24 -1.577 0.928 -7.766 1.00 0.00 C ATOM 365 CD1 PHE A 24 -1.757 1.149 -6.411 1.00 0.00 C ATOM 366 CD2 PHE A 24 -2.102 -0.227 -8.329 1.00 0.00 C ATOM 367 CE1 PHE A 24 -2.447 0.240 -5.635 1.00 0.00 C ATOM 368 CE2 PHE A 24 -2.786 -1.140 -7.556 1.00 0.00 C ATOM 369 CZ PHE A 24 -2.961 -0.906 -6.210 1.00 0.00 C ATOM 0 H PHE A 24 0.498 3.567 -9.841 1.00 0.00 H new ATOM 0 HA PHE A 24 1.039 1.753 -7.595 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.159 2.937 -8.286 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.209 1.831 -9.645 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.353 2.042 -5.957 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.973 -0.412 -9.385 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.585 0.424 -4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.184 -2.038 -8.005 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.500 -1.619 -5.604 1.00 0.00 H new ATOM 379 N SER A 25 2.131 0.936 -10.252 1.00 0.00 N ATOM 380 CA SER A 25 2.840 -0.097 -10.973 1.00 0.00 C ATOM 381 C SER A 25 4.044 -0.487 -10.147 1.00 0.00 C ATOM 382 O SER A 25 4.364 -1.663 -9.983 1.00 0.00 O ATOM 383 CB SER A 25 3.258 0.412 -12.353 1.00 0.00 C ATOM 384 OG SER A 25 3.846 -0.616 -13.132 1.00 0.00 O ATOM 0 H SER A 25 2.468 1.880 -10.440 1.00 0.00 H new ATOM 0 HA SER A 25 2.202 -0.966 -11.130 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.387 0.811 -12.873 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.966 1.233 -12.240 1.00 0.00 H new ATOM 0 HG SER A 25 4.100 -0.258 -14.008 1.00 0.00 H new ATOM 390 N ARG A 26 4.678 0.540 -9.595 1.00 0.00 N ATOM 391 CA ARG A 26 5.811 0.382 -8.709 1.00 0.00 C ATOM 392 C ARG A 26 5.366 -0.321 -7.436 1.00 0.00 C ATOM 393 O ARG A 26 6.106 -1.097 -6.845 1.00 0.00 O ATOM 394 CB ARG A 26 6.384 1.744 -8.386 1.00 0.00 C ATOM 395 CG ARG A 26 7.792 1.700 -7.877 1.00 0.00 C ATOM 396 CD ARG A 26 8.234 3.086 -7.520 1.00 0.00 C ATOM 397 NE ARG A 26 9.549 3.098 -6.909 1.00 0.00 N ATOM 398 CZ ARG A 26 10.283 4.197 -6.729 1.00 0.00 C ATOM 399 NH1 ARG A 26 9.816 5.379 -7.113 1.00 0.00 N ATOM 400 NH2 ARG A 26 11.473 4.110 -6.156 1.00 0.00 N ATOM 0 H ARG A 26 4.413 1.512 -9.755 1.00 0.00 H new ATOM 0 HA ARG A 26 6.579 -0.222 -9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.350 2.364 -9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.752 2.226 -7.640 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.855 1.050 -7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.452 1.280 -8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.246 3.705 -8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.512 3.531 -6.835 1.00 0.00 H new ATOM 0 HE ARG A 26 9.938 2.208 -6.597 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.895 5.447 -7.546 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.378 6.219 -6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.828 3.203 -5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.035 4.950 -6.018 1.00 0.00 H new ATOM 414 N ILE A 27 4.140 -0.035 -7.027 1.00 0.00 N ATOM 415 CA ILE A 27 3.529 -0.713 -5.894 1.00 0.00 C ATOM 416 C ILE A 27 3.378 -2.206 -6.192 1.00 0.00 C ATOM 417 O ILE A 27 3.903 -3.034 -5.459 1.00 0.00 O ATOM 418 CB ILE A 27 2.153 -0.094 -5.558 1.00 0.00 C ATOM 419 CG1 ILE A 27 2.346 1.323 -5.017 1.00 0.00 C ATOM 420 CG2 ILE A 27 1.386 -0.959 -4.562 1.00 0.00 C ATOM 421 CD1 ILE A 27 1.057 2.029 -4.658 1.00 0.00 C ATOM 0 H ILE A 27 3.545 0.667 -7.466 1.00 0.00 H new ATOM 0 HA ILE A 27 4.180 -0.588 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 27 1.559 -0.047 -6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.982 1.279 -4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.877 1.916 -5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.423 -0.497 -4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.226 -1.950 -4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.961 -1.049 -3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.281 3.027 -4.283 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.426 2.108 -5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.533 1.461 -3.889 1.00 0.00 H new ATOM 433 N ILE A 28 2.689 -2.555 -7.277 1.00 0.00 N ATOM 434 CA ILE A 28 2.522 -3.967 -7.632 1.00 0.00 C ATOM 435 C ILE A 28 3.875 -4.658 -7.859 1.00 0.00 C ATOM 436 O ILE A 28 4.069 -5.810 -7.464 1.00 0.00 O ATOM 437 CB ILE A 28 1.669 -4.128 -8.913 1.00 0.00 C ATOM 438 CG1 ILE A 28 0.302 -3.468 -8.755 1.00 0.00 C ATOM 439 CG2 ILE A 28 1.508 -5.596 -9.275 1.00 0.00 C ATOM 440 CD1 ILE A 28 -0.561 -4.117 -7.710 1.00 0.00 C ATOM 0 H ILE A 28 2.244 -1.896 -7.916 1.00 0.00 H new ATOM 0 HA ILE A 28 2.013 -4.437 -6.790 1.00 0.00 H new ATOM 0 HB ILE A 28 2.196 -3.626 -9.724 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.442 -2.418 -8.498 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.218 -3.495 -9.712 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.905 -5.684 -10.179 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.489 -6.037 -9.449 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.014 -6.120 -8.457 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.517 -3.596 -7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.732 -5.160 -7.976 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.061 -4.066 -6.743 1.00 0.00 H new ATOM 452 N SER A 29 4.811 -3.950 -8.472 1.00 0.00 N ATOM 453 CA SER A 29 6.061 -4.564 -8.893 1.00 0.00 C ATOM 454 C SER A 29 7.075 -4.663 -7.750 1.00 0.00 C ATOM 455 O SER A 29 7.772 -5.673 -7.619 1.00 0.00 O ATOM 456 CB SER A 29 6.661 -3.767 -10.050 1.00 0.00 C ATOM 457 OG SER A 29 7.643 -4.520 -10.741 1.00 0.00 O ATOM 0 H SER A 29 4.730 -2.956 -8.688 1.00 0.00 H new ATOM 0 HA SER A 29 5.835 -5.580 -9.215 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.871 -3.475 -10.742 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.106 -2.848 -9.669 1.00 0.00 H new ATOM 0 HG SER A 29 8.008 -3.985 -11.477 1.00 0.00 H new ATOM 463 N GLU A 30 7.144 -3.642 -6.902 1.00 0.00 N ATOM 464 CA GLU A 30 8.143 -3.629 -5.841 1.00 0.00 C ATOM 465 C GLU A 30 7.542 -4.039 -4.508 1.00 0.00 C ATOM 466 O GLU A 30 8.179 -4.726 -3.732 1.00 0.00 O ATOM 467 CB GLU A 30 8.782 -2.242 -5.708 1.00 0.00 C ATOM 468 CG GLU A 30 9.586 -1.813 -6.925 1.00 0.00 C ATOM 469 CD GLU A 30 10.797 -2.691 -7.168 1.00 0.00 C ATOM 470 OE1 GLU A 30 10.641 -3.789 -7.740 1.00 0.00 O ATOM 471 OE2 GLU A 30 11.912 -2.285 -6.787 1.00 0.00 O ATOM 0 H GLU A 30 6.532 -2.827 -6.927 1.00 0.00 H new ATOM 0 HA GLU A 30 8.911 -4.353 -6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.997 -1.508 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.433 -2.235 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.944 -1.836 -7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.911 -0.781 -6.794 1.00 0.00 H new ATOM 478 N LEU A 31 6.301 -3.669 -4.258 1.00 0.00 N ATOM 479 CA LEU A 31 5.670 -3.979 -2.976 1.00 0.00 C ATOM 480 C LEU A 31 5.148 -5.397 -3.013 1.00 0.00 C ATOM 481 O LEU A 31 4.932 -6.023 -1.980 1.00 0.00 O ATOM 482 CB LEU A 31 4.539 -2.991 -2.655 1.00 0.00 C ATOM 483 CG LEU A 31 4.976 -1.592 -2.201 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.056 -1.038 -3.091 1.00 0.00 C ATOM 485 CD2 LEU A 31 3.792 -0.643 -2.151 1.00 0.00 C ATOM 0 H LEU A 31 5.709 -3.158 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 31 6.413 -3.884 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.914 -2.885 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.914 -3.426 -1.875 1.00 0.00 H new ATOM 0 HG LEU A 31 5.385 -1.688 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.342 -0.046 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.924 -1.697 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.685 -0.969 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.128 0.342 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.346 -0.565 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.051 -1.023 -1.448 1.00 0.00 H new ATOM 497 N GLY A 32 4.973 -5.897 -4.225 1.00 0.00 N ATOM 498 CA GLY A 32 4.604 -7.277 -4.408 1.00 0.00 C ATOM 499 C GLY A 32 5.805 -8.200 -4.270 1.00 0.00 C ATOM 500 O GLY A 32 5.664 -9.420 -4.277 1.00 0.00 O ATOM 0 H GLY A 32 5.082 -5.365 -5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.847 -7.552 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.156 -7.407 -5.393 1.00 0.00 H new ATOM 504 N THR A 33 6.996 -7.612 -4.150 1.00 0.00 N ATOM 505 CA THR A 33 8.228 -8.392 -4.086 1.00 0.00 C ATOM 506 C THR A 33 9.078 -8.062 -2.856 1.00 0.00 C ATOM 507 O THR A 33 9.821 -8.914 -2.368 1.00 0.00 O ATOM 508 CB THR A 33 9.072 -8.190 -5.354 1.00 0.00 C ATOM 509 OG1 THR A 33 9.291 -6.791 -5.592 1.00 0.00 O ATOM 510 CG2 THR A 33 8.394 -8.818 -6.561 1.00 0.00 C ATOM 0 H THR A 33 7.131 -6.602 -4.096 1.00 0.00 H new ATOM 0 HA THR A 33 7.920 -9.435 -4.008 1.00 0.00 H new ATOM 0 HB THR A 33 10.033 -8.680 -5.201 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.725 -6.493 -6.334 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.010 -8.662 -7.446 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.266 -9.887 -6.391 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.418 -8.356 -6.712 1.00 0.00 H new ATOM 518 N ARG A 34 8.982 -6.828 -2.370 1.00 0.00 N ATOM 519 CA ARG A 34 9.730 -6.400 -1.190 1.00 0.00 C ATOM 520 C ARG A 34 9.424 -7.292 0.006 1.00 0.00 C ATOM 521 O ARG A 34 10.335 -7.829 0.638 1.00 0.00 O ATOM 522 CB ARG A 34 9.415 -4.940 -0.857 1.00 0.00 C ATOM 523 CG ARG A 34 10.145 -3.947 -1.725 1.00 0.00 C ATOM 524 CD ARG A 34 9.839 -2.532 -1.289 1.00 0.00 C ATOM 525 NE ARG A 34 10.708 -1.569 -1.943 1.00 0.00 N ATOM 526 CZ ARG A 34 11.496 -0.719 -1.287 1.00 0.00 C ATOM 527 NH1 ARG A 34 11.407 -0.600 0.033 1.00 0.00 N ATOM 528 NH2 ARG A 34 12.366 0.023 -1.955 1.00 0.00 N ATOM 0 H ARG A 34 8.391 -6.103 -2.777 1.00 0.00 H new ATOM 0 HA ARG A 34 10.793 -6.487 -1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.342 -4.777 -0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.669 -4.752 0.186 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.219 -4.127 -1.668 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.854 -4.083 -2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.799 -2.298 -1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.954 -2.451 -0.208 1.00 0.00 H new ATOM 0 HE ARG A 34 10.715 -1.542 -2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.732 -1.162 0.551 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.014 0.053 0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.432 -0.057 -2.970 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.971 0.675 -1.455 1.00 0.00 H new ATOM 542 N ASP A 35 8.145 -7.460 0.296 1.00 0.00 N ATOM 543 CA ASP A 35 7.715 -8.302 1.393 1.00 0.00 C ATOM 544 C ASP A 35 6.300 -8.812 1.145 1.00 0.00 C ATOM 545 O ASP A 35 5.496 -8.151 0.485 1.00 0.00 O ATOM 546 CB ASP A 35 7.806 -7.557 2.733 1.00 0.00 C ATOM 547 CG ASP A 35 7.096 -6.218 2.744 1.00 0.00 C ATOM 548 OD1 ASP A 35 5.852 -6.203 2.764 1.00 0.00 O ATOM 549 OD2 ASP A 35 7.785 -5.174 2.775 1.00 0.00 O ATOM 0 H ASP A 35 7.383 -7.019 -0.219 1.00 0.00 H new ATOM 0 HA ASP A 35 8.385 -9.160 1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.384 -8.187 3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.856 -7.402 2.980 1.00 0.00 H new ATOM 554 N PRO A 36 5.995 -10.022 1.649 1.00 0.00 N ATOM 555 CA PRO A 36 4.716 -10.708 1.407 1.00 0.00 C ATOM 556 C PRO A 36 3.505 -10.020 2.035 1.00 0.00 C ATOM 557 O PRO A 36 2.396 -10.550 1.970 1.00 0.00 O ATOM 558 CB PRO A 36 4.910 -12.090 2.050 1.00 0.00 C ATOM 559 CG PRO A 36 6.375 -12.229 2.267 1.00 0.00 C ATOM 560 CD PRO A 36 6.895 -10.839 2.473 1.00 0.00 C ATOM 0 HA PRO A 36 4.498 -10.726 0.339 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.366 -12.164 2.991 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.533 -12.881 1.401 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.583 -12.856 3.134 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.854 -12.702 1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.858 -10.546 3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.932 -10.745 2.152 1.00 0.00 H new ATOM 568 N ARG A 37 3.701 -8.853 2.642 1.00 0.00 N ATOM 569 CA ARG A 37 2.601 -8.114 3.239 1.00 0.00 C ATOM 570 C ARG A 37 1.535 -7.771 2.212 1.00 0.00 C ATOM 571 O ARG A 37 0.343 -7.779 2.521 1.00 0.00 O ATOM 572 CB ARG A 37 3.108 -6.845 3.882 1.00 0.00 C ATOM 573 CG ARG A 37 3.812 -7.099 5.187 1.00 0.00 C ATOM 574 CD ARG A 37 4.195 -5.798 5.844 1.00 0.00 C ATOM 575 NE ARG A 37 5.376 -5.212 5.227 1.00 0.00 N ATOM 576 CZ ARG A 37 6.139 -4.296 5.810 1.00 0.00 C ATOM 577 NH1 ARG A 37 5.836 -3.848 7.023 1.00 0.00 N ATOM 578 NH2 ARG A 37 7.210 -3.831 5.182 1.00 0.00 N ATOM 0 H ARG A 37 4.611 -8.402 2.732 1.00 0.00 H new ATOM 0 HA ARG A 37 2.152 -8.754 3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.791 -6.343 3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.271 -6.168 4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.164 -7.671 5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.703 -7.702 5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.363 -5.097 5.776 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.384 -5.967 6.904 1.00 0.00 H new ATOM 0 HE ARG A 37 5.632 -5.524 4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.015 -4.208 7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.425 -3.144 7.468 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.446 -4.177 4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.798 -3.127 5.629 1.00 0.00 H new ATOM 592 N TYR A 38 1.962 -7.498 0.984 1.00 0.00 N ATOM 593 CA TYR A 38 1.034 -7.133 -0.072 1.00 0.00 C ATOM 594 C TYR A 38 0.180 -8.336 -0.461 1.00 0.00 C ATOM 595 O TYR A 38 -0.870 -8.190 -1.086 1.00 0.00 O ATOM 596 CB TYR A 38 1.790 -6.609 -1.296 1.00 0.00 C ATOM 597 CG TYR A 38 0.902 -5.848 -2.256 1.00 0.00 C ATOM 598 CD1 TYR A 38 0.648 -4.498 -2.062 1.00 0.00 C ATOM 599 CD2 TYR A 38 0.298 -6.482 -3.337 1.00 0.00 C ATOM 600 CE1 TYR A 38 -0.183 -3.802 -2.914 1.00 0.00 C ATOM 601 CE2 TYR A 38 -0.529 -5.788 -4.196 1.00 0.00 C ATOM 602 CZ TYR A 38 -0.768 -4.449 -3.977 1.00 0.00 C ATOM 603 OH TYR A 38 -1.610 -3.757 -4.814 1.00 0.00 O ATOM 0 H TYR A 38 2.941 -7.523 0.699 1.00 0.00 H new ATOM 0 HA TYR A 38 0.384 -6.341 0.300 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.600 -5.959 -0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.248 -7.448 -1.820 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.108 -3.984 -1.231 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.479 -7.533 -3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.374 -2.752 -2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.986 -6.291 -5.035 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.339 -2.816 -4.845 1.00 0.00 H new ATOM 613 N TRP A 39 0.637 -9.521 -0.076 1.00 0.00 N ATOM 614 CA TRP A 39 -0.066 -10.751 -0.394 1.00 0.00 C ATOM 615 C TRP A 39 -0.837 -11.259 0.816 1.00 0.00 C ATOM 616 O TRP A 39 -1.753 -12.068 0.683 1.00 0.00 O ATOM 617 CB TRP A 39 0.920 -11.804 -0.893 1.00 0.00 C ATOM 618 CG TRP A 39 1.734 -11.312 -2.049 1.00 0.00 C ATOM 619 CD1 TRP A 39 3.091 -11.198 -2.111 1.00 0.00 C ATOM 620 CD2 TRP A 39 1.230 -10.831 -3.303 1.00 0.00 C ATOM 621 NE1 TRP A 39 3.463 -10.688 -3.330 1.00 0.00 N ATOM 622 CE2 TRP A 39 2.340 -10.454 -4.078 1.00 0.00 C ATOM 623 CE3 TRP A 39 -0.054 -10.685 -3.847 1.00 0.00 C ATOM 624 CZ2 TRP A 39 2.210 -9.945 -5.367 1.00 0.00 C ATOM 625 CZ3 TRP A 39 -0.181 -10.178 -5.125 1.00 0.00 C ATOM 626 CH2 TRP A 39 0.945 -9.813 -5.872 1.00 0.00 C ATOM 0 H TRP A 39 1.495 -9.653 0.459 1.00 0.00 H new ATOM 0 HA TRP A 39 -0.786 -10.547 -1.187 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.585 -12.092 -0.079 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.374 -12.699 -1.190 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.773 -11.469 -1.318 1.00 0.00 H new ATOM 0 HE1 TRP A 39 4.422 -10.512 -3.630 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.928 -10.964 -3.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.076 -9.664 -5.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.165 -10.061 -5.555 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.813 -9.419 -6.869 1.00 0.00 H new ATOM 637 N MET A 40 -0.453 -10.785 2.000 1.00 0.00 N ATOM 638 CA MET A 40 -1.204 -11.072 3.218 1.00 0.00 C ATOM 639 C MET A 40 -2.584 -10.447 3.103 1.00 0.00 C ATOM 640 O MET A 40 -3.608 -11.108 3.283 1.00 0.00 O ATOM 641 CB MET A 40 -0.483 -10.520 4.454 1.00 0.00 C ATOM 642 CG MET A 40 0.871 -11.159 4.714 1.00 0.00 C ATOM 643 SD MET A 40 0.766 -12.937 4.996 1.00 0.00 S ATOM 644 CE MET A 40 -0.271 -12.986 6.457 1.00 0.00 C ATOM 0 H MET A 40 0.372 -10.202 2.140 1.00 0.00 H new ATOM 0 HA MET A 40 -1.289 -12.152 3.335 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.349 -9.445 4.335 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.117 -10.667 5.328 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.526 -10.969 3.864 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.330 -10.685 5.582 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.159 -13.951 6.950 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.027 -12.192 7.142 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.313 -12.844 6.169 1.00 0.00 H new ATOM 654 N VAL A 41 -2.595 -9.165 2.778 1.00 0.00 N ATOM 655 CA VAL A 41 -3.829 -8.474 2.457 1.00 0.00 C ATOM 656 C VAL A 41 -4.132 -8.659 0.976 1.00 0.00 C ATOM 657 O VAL A 41 -3.398 -8.163 0.116 1.00 0.00 O ATOM 658 CB VAL A 41 -3.755 -6.968 2.813 1.00 0.00 C ATOM 659 CG1 VAL A 41 -2.492 -6.319 2.261 1.00 0.00 C ATOM 660 CG2 VAL A 41 -4.986 -6.241 2.305 1.00 0.00 C ATOM 0 H VAL A 41 -1.760 -8.582 2.730 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.632 -8.904 3.056 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.720 -6.890 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.477 -5.263 2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.616 -6.813 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.478 -6.415 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.917 -5.184 2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.049 -6.346 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.877 -6.670 2.764 1.00 0.00 H new ATOM 670 N ASP A 42 -5.218 -9.365 0.683 1.00 0.00 N ATOM 671 CA ASP A 42 -5.534 -9.750 -0.665 1.00 0.00 C ATOM 672 C ASP A 42 -5.668 -8.551 -1.571 1.00 0.00 C ATOM 673 O ASP A 42 -6.087 -7.462 -1.164 1.00 0.00 O ATOM 674 CB ASP A 42 -6.795 -10.589 -0.699 1.00 0.00 C ATOM 675 CG ASP A 42 -7.969 -9.951 0.011 1.00 0.00 C ATOM 676 OD1 ASP A 42 -8.008 -9.987 1.260 1.00 0.00 O ATOM 677 OD2 ASP A 42 -8.870 -9.435 -0.683 1.00 0.00 O ATOM 0 H ASP A 42 -5.895 -9.680 1.378 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.705 -10.352 -1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.068 -10.777 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.589 -11.558 -0.243 1.00 0.00 H new ATOM 682 N ASP A 43 -5.256 -8.758 -2.794 1.00 0.00 N ATOM 683 CA ASP A 43 -5.114 -7.689 -3.742 1.00 0.00 C ATOM 684 C ASP A 43 -6.447 -7.272 -4.335 1.00 0.00 C ATOM 685 O ASP A 43 -6.964 -7.882 -5.264 1.00 0.00 O ATOM 686 CB ASP A 43 -4.127 -8.098 -4.840 1.00 0.00 C ATOM 687 CG ASP A 43 -4.494 -9.397 -5.535 1.00 0.00 C ATOM 688 OD1 ASP A 43 -4.605 -10.440 -4.850 1.00 0.00 O ATOM 689 OD2 ASP A 43 -4.655 -9.392 -6.772 1.00 0.00 O ATOM 0 H ASP A 43 -5.009 -9.677 -3.160 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.721 -6.820 -3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.072 -7.302 -5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.133 -8.197 -4.404 1.00 0.00 H new ATOM 694 N ASP A 44 -7.005 -6.226 -3.755 1.00 0.00 N ATOM 695 CA ASP A 44 -8.098 -5.503 -4.371 1.00 0.00 C ATOM 696 C ASP A 44 -7.537 -4.216 -4.926 1.00 0.00 C ATOM 697 O ASP A 44 -7.312 -3.267 -4.183 1.00 0.00 O ATOM 698 CB ASP A 44 -9.198 -5.192 -3.361 1.00 0.00 C ATOM 699 CG ASP A 44 -10.461 -4.684 -4.036 1.00 0.00 C ATOM 700 OD1 ASP A 44 -10.500 -3.499 -4.431 1.00 0.00 O ATOM 701 OD2 ASP A 44 -11.422 -5.472 -4.179 1.00 0.00 O ATOM 0 H ASP A 44 -6.715 -5.857 -2.850 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.541 -6.112 -5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.429 -6.090 -2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.840 -4.445 -2.653 1.00 0.00 H new ATOM 706 N PRO A 45 -7.267 -4.170 -6.231 1.00 0.00 N ATOM 707 CA PRO A 45 -6.575 -3.046 -6.844 1.00 0.00 C ATOM 708 C PRO A 45 -7.342 -1.734 -6.724 1.00 0.00 C ATOM 709 O PRO A 45 -6.746 -0.661 -6.739 1.00 0.00 O ATOM 710 CB PRO A 45 -6.433 -3.459 -8.305 1.00 0.00 C ATOM 711 CG PRO A 45 -6.642 -4.929 -8.319 1.00 0.00 C ATOM 712 CD PRO A 45 -7.606 -5.205 -7.215 1.00 0.00 C ATOM 0 HA PRO A 45 -5.623 -2.850 -6.351 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.167 -2.951 -8.930 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.449 -3.198 -8.694 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.039 -5.260 -9.279 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.703 -5.460 -8.162 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.640 -5.124 -7.550 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.481 -6.208 -6.808 1.00 0.00 H new ATOM 720 N LEU A 46 -8.656 -1.816 -6.578 1.00 0.00 N ATOM 721 CA LEU A 46 -9.464 -0.615 -6.474 1.00 0.00 C ATOM 722 C LEU A 46 -9.397 -0.077 -5.046 1.00 0.00 C ATOM 723 O LEU A 46 -9.268 1.128 -4.833 1.00 0.00 O ATOM 724 CB LEU A 46 -10.908 -0.920 -6.884 1.00 0.00 C ATOM 725 CG LEU A 46 -11.702 0.250 -7.479 1.00 0.00 C ATOM 726 CD1 LEU A 46 -12.008 1.302 -6.428 1.00 0.00 C ATOM 727 CD2 LEU A 46 -10.945 0.868 -8.644 1.00 0.00 C ATOM 0 H LEU A 46 -9.178 -2.691 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.077 0.149 -7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.894 -1.731 -7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.443 -1.288 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.651 -0.142 -7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.571 2.117 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.598 0.856 -5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.075 1.690 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.522 1.696 -9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.979 1.235 -8.297 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.790 0.116 -9.417 1.00 0.00 H new ATOM 739 N TRP A 47 -9.416 -0.978 -4.072 1.00 0.00 N ATOM 740 CA TRP A 47 -9.263 -0.585 -2.678 1.00 0.00 C ATOM 741 C TRP A 47 -7.817 -0.230 -2.384 1.00 0.00 C ATOM 742 O TRP A 47 -7.551 0.707 -1.647 1.00 0.00 O ATOM 743 CB TRP A 47 -9.742 -1.682 -1.729 1.00 0.00 C ATOM 744 CG TRP A 47 -9.478 -1.366 -0.285 1.00 0.00 C ATOM 745 CD1 TRP A 47 -10.046 -0.377 0.460 1.00 0.00 C ATOM 746 CD2 TRP A 47 -8.562 -2.035 0.578 1.00 0.00 C ATOM 747 NE1 TRP A 47 -9.550 -0.407 1.743 1.00 0.00 N ATOM 748 CE2 TRP A 47 -8.631 -1.417 1.838 1.00 0.00 C ATOM 749 CE3 TRP A 47 -7.692 -3.102 0.399 1.00 0.00 C ATOM 750 CZ2 TRP A 47 -7.861 -1.839 2.920 1.00 0.00 C ATOM 751 CZ3 TRP A 47 -6.924 -3.521 1.464 1.00 0.00 C ATOM 752 CH2 TRP A 47 -7.011 -2.893 2.715 1.00 0.00 C ATOM 0 H TRP A 47 -9.535 -1.980 -4.221 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.886 0.294 -2.512 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.812 -1.836 -1.872 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.248 -2.619 -1.986 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -10.779 0.328 0.096 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.822 0.221 2.499 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.618 -3.595 -0.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.932 -1.354 3.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.242 -4.348 1.333 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.397 -3.247 3.530 1.00 0.00 H new ATOM 763 N LYS A 48 -6.888 -0.968 -2.975 1.00 0.00 N ATOM 764 CA LYS A 48 -5.470 -0.681 -2.802 1.00 0.00 C ATOM 765 C LYS A 48 -5.142 0.705 -3.345 1.00 0.00 C ATOM 766 O LYS A 48 -4.277 1.394 -2.815 1.00 0.00 O ATOM 767 CB LYS A 48 -4.601 -1.746 -3.486 1.00 0.00 C ATOM 768 CG LYS A 48 -4.001 -2.767 -2.534 1.00 0.00 C ATOM 769 CD LYS A 48 -5.070 -3.530 -1.787 1.00 0.00 C ATOM 770 CE LYS A 48 -4.472 -4.486 -0.760 1.00 0.00 C ATOM 771 NZ LYS A 48 -3.733 -5.621 -1.386 1.00 0.00 N ATOM 0 H LYS A 48 -7.089 -1.767 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.247 -0.703 -1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.204 -2.269 -4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.794 -1.249 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.379 -3.466 -3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.350 -2.261 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.735 -2.827 -1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.678 -4.092 -2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.795 -3.934 -0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.270 -4.881 -0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.272 -6.501 -1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.612 -5.438 -2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.799 -5.717 -0.938 1.00 0.00 H new ATOM 785 N LYS A 49 -5.855 1.122 -4.386 1.00 0.00 N ATOM 786 CA LYS A 49 -5.686 2.460 -4.920 1.00 0.00 C ATOM 787 C LYS A 49 -6.396 3.483 -4.044 1.00 0.00 C ATOM 788 O LYS A 49 -5.880 4.571 -3.802 1.00 0.00 O ATOM 789 CB LYS A 49 -6.218 2.546 -6.347 1.00 0.00 C ATOM 790 CG LYS A 49 -5.290 1.961 -7.379 1.00 0.00 C ATOM 791 CD LYS A 49 -5.856 2.144 -8.772 1.00 0.00 C ATOM 792 CE LYS A 49 -5.572 0.935 -9.631 1.00 0.00 C ATOM 793 NZ LYS A 49 -6.026 1.129 -11.034 1.00 0.00 N ATOM 0 H LYS A 49 -6.550 0.554 -4.871 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.619 2.682 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.176 2.029 -6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.406 3.591 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.314 2.441 -7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.138 0.900 -7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.932 2.309 -8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.422 3.032 -9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.502 0.727 -9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.070 0.063 -9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.812 0.276 -11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.051 1.302 -11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.532 1.945 -11.449 1.00 0.00 H new ATOM 807 N GLU A 50 -7.576 3.122 -3.553 1.00 0.00 N ATOM 808 CA GLU A 50 -8.342 4.004 -2.680 1.00 0.00 C ATOM 809 C GLU A 50 -7.607 4.260 -1.371 1.00 0.00 C ATOM 810 O GLU A 50 -7.594 5.381 -0.858 1.00 0.00 O ATOM 811 CB GLU A 50 -9.725 3.423 -2.394 1.00 0.00 C ATOM 812 CG GLU A 50 -10.733 3.668 -3.503 1.00 0.00 C ATOM 813 CD GLU A 50 -12.152 3.393 -3.055 1.00 0.00 C ATOM 814 OE1 GLU A 50 -12.788 4.313 -2.492 1.00 0.00 O ATOM 815 OE2 GLU A 50 -12.641 2.264 -3.255 1.00 0.00 O ATOM 0 H GLU A 50 -8.023 2.225 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.461 4.954 -3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.631 2.349 -2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.106 3.854 -1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.654 4.701 -3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.494 3.034 -4.356 1.00 0.00 H new ATOM 822 N MET A 51 -6.986 3.226 -0.834 1.00 0.00 N ATOM 823 CA MET A 51 -6.252 3.355 0.406 1.00 0.00 C ATOM 824 C MET A 51 -4.890 3.987 0.140 1.00 0.00 C ATOM 825 O MET A 51 -4.270 4.552 1.037 1.00 0.00 O ATOM 826 CB MET A 51 -6.099 1.998 1.091 1.00 0.00 C ATOM 827 CG MET A 51 -5.277 0.993 0.303 1.00 0.00 C ATOM 828 SD MET A 51 -5.144 -0.590 1.149 1.00 0.00 S ATOM 829 CE MET A 51 -4.783 -0.041 2.815 1.00 0.00 C ATOM 0 H MET A 51 -6.977 2.290 -1.238 1.00 0.00 H new ATOM 0 HA MET A 51 -6.813 4.004 1.079 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.635 2.146 2.066 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.090 1.580 1.270 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.732 0.843 -0.676 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.279 1.397 0.132 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.378 -0.872 3.392 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.052 0.767 2.781 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.698 0.317 3.287 1.00 0.00 H new ATOM 839 N PHE A 52 -4.437 3.896 -1.107 1.00 0.00 N ATOM 840 CA PHE A 52 -3.216 4.568 -1.531 1.00 0.00 C ATOM 841 C PHE A 52 -3.449 6.075 -1.564 1.00 0.00 C ATOM 842 O PHE A 52 -2.578 6.859 -1.188 1.00 0.00 O ATOM 843 CB PHE A 52 -2.788 4.048 -2.910 1.00 0.00 C ATOM 844 CG PHE A 52 -1.541 4.680 -3.468 1.00 0.00 C ATOM 845 CD1 PHE A 52 -0.395 4.803 -2.698 1.00 0.00 C ATOM 846 CD2 PHE A 52 -1.516 5.136 -4.776 1.00 0.00 C ATOM 847 CE1 PHE A 52 0.752 5.375 -3.223 1.00 0.00 C ATOM 848 CE2 PHE A 52 -0.374 5.708 -5.305 1.00 0.00 C ATOM 849 CZ PHE A 52 0.761 5.827 -4.529 1.00 0.00 C ATOM 0 H PHE A 52 -4.900 3.362 -1.842 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.415 4.357 -0.823 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.633 2.971 -2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.605 4.210 -3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.396 4.449 -1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.400 5.043 -5.390 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.638 5.468 -2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.370 6.062 -6.325 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.654 6.272 -4.941 1.00 0.00 H new ATOM 859 N GLU A 53 -4.652 6.466 -1.979 1.00 0.00 N ATOM 860 CA GLU A 53 -5.063 7.860 -1.942 1.00 0.00 C ATOM 861 C GLU A 53 -5.190 8.330 -0.502 1.00 0.00 C ATOM 862 O GLU A 53 -4.937 9.491 -0.190 1.00 0.00 O ATOM 863 CB GLU A 53 -6.394 8.026 -2.668 1.00 0.00 C ATOM 864 CG GLU A 53 -6.309 7.718 -4.145 1.00 0.00 C ATOM 865 CD GLU A 53 -5.588 8.799 -4.925 1.00 0.00 C ATOM 866 OE1 GLU A 53 -4.351 8.723 -5.056 1.00 0.00 O ATOM 867 OE2 GLU A 53 -6.262 9.725 -5.423 1.00 0.00 O ATOM 0 H GLU A 53 -5.360 5.830 -2.346 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.308 8.466 -2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.135 7.371 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.747 9.049 -2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.793 6.768 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.315 7.596 -4.545 1.00 0.00 H new ATOM 874 N LYS A 54 -5.550 7.404 0.380 1.00 0.00 N ATOM 875 CA LYS A 54 -5.625 7.700 1.803 1.00 0.00 C ATOM 876 C LYS A 54 -4.236 7.861 2.378 1.00 0.00 C ATOM 877 O LYS A 54 -3.994 8.710 3.231 1.00 0.00 O ATOM 878 CB LYS A 54 -6.326 6.582 2.557 1.00 0.00 C ATOM 879 CG LYS A 54 -6.274 6.766 4.061 1.00 0.00 C ATOM 880 CD LYS A 54 -7.552 7.389 4.584 1.00 0.00 C ATOM 881 CE LYS A 54 -7.569 7.413 6.097 1.00 0.00 C ATOM 882 NZ LYS A 54 -7.449 6.053 6.684 1.00 0.00 N ATOM 0 H LYS A 54 -5.794 6.445 0.134 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.191 8.625 1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.367 6.531 2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.866 5.629 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.114 5.801 4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.425 7.398 4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.648 8.405 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.411 6.827 4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.750 8.035 6.458 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.495 7.874 6.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.812 6.062 7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.001 5.379 6.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.450 5.764 6.690 1.00 0.00 H new ATOM 896 N TYR A 55 -3.322 7.039 1.909 1.00 0.00 N ATOM 897 CA TYR A 55 -1.960 7.101 2.380 1.00 0.00 C ATOM 898 C TYR A 55 -1.313 8.415 1.974 1.00 0.00 C ATOM 899 O TYR A 55 -0.498 8.964 2.704 1.00 0.00 O ATOM 900 CB TYR A 55 -1.150 5.917 1.850 1.00 0.00 C ATOM 901 CG TYR A 55 0.328 6.036 2.132 1.00 0.00 C ATOM 902 CD1 TYR A 55 0.794 6.148 3.434 1.00 0.00 C ATOM 903 CD2 TYR A 55 1.251 6.074 1.097 1.00 0.00 C ATOM 904 CE1 TYR A 55 2.141 6.289 3.696 1.00 0.00 C ATOM 905 CE2 TYR A 55 2.599 6.220 1.352 1.00 0.00 C ATOM 906 CZ TYR A 55 3.041 6.326 2.652 1.00 0.00 C ATOM 907 OH TYR A 55 4.384 6.481 2.908 1.00 0.00 O ATOM 0 H TYR A 55 -3.499 6.323 1.204 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.973 7.046 3.469 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.526 4.997 2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.303 5.833 0.774 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.092 6.124 4.254 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.909 5.988 0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.489 6.370 4.715 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.305 6.251 0.535 1.00 0.00 H new ATOM 0 HH TYR A 55 4.826 6.860 2.119 1.00 0.00 H new ATOM 917 N LEU A 56 -1.680 8.922 0.817 1.00 0.00 N ATOM 918 CA LEU A 56 -1.111 10.159 0.334 1.00 0.00 C ATOM 919 C LEU A 56 -1.758 11.372 1.002 1.00 0.00 C ATOM 920 O LEU A 56 -1.102 12.391 1.209 1.00 0.00 O ATOM 921 CB LEU A 56 -1.249 10.235 -1.184 1.00 0.00 C ATOM 922 CG LEU A 56 -0.609 9.078 -1.952 1.00 0.00 C ATOM 923 CD1 LEU A 56 -0.752 9.287 -3.451 1.00 0.00 C ATOM 924 CD2 LEU A 56 0.856 8.927 -1.570 1.00 0.00 C ATOM 0 H LEU A 56 -2.368 8.497 0.195 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.053 10.174 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.309 10.275 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.804 11.169 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.130 8.159 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.290 8.453 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.809 9.342 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.259 10.216 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.294 8.099 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.391 9.847 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.935 8.727 -0.501 1.00 0.00 H new ATOM 936 N SER A 57 -3.035 11.260 1.342 1.00 0.00 N ATOM 937 CA SER A 57 -3.739 12.346 2.005 1.00 0.00 C ATOM 938 C SER A 57 -3.570 12.285 3.526 1.00 0.00 C ATOM 939 O SER A 57 -2.978 13.179 4.133 1.00 0.00 O ATOM 940 CB SER A 57 -5.213 12.302 1.628 1.00 0.00 C ATOM 941 OG SER A 57 -5.762 11.015 1.857 1.00 0.00 O ATOM 0 H SER A 57 -3.602 10.430 1.170 1.00 0.00 H new ATOM 0 HA SER A 57 -3.307 13.289 1.670 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.762 13.043 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.331 12.569 0.578 1.00 0.00 H new ATOM 0 HG SER A 57 -5.615 10.452 1.069 1.00 0.00 H new ATOM 947 N ASN A 58 -4.085 11.223 4.131 1.00 0.00 N ATOM 948 CA ASN A 58 -4.033 11.050 5.579 1.00 0.00 C ATOM 949 C ASN A 58 -2.610 10.766 6.024 1.00 0.00 C ATOM 950 O ASN A 58 -2.130 11.367 6.988 1.00 0.00 O ATOM 951 CB ASN A 58 -4.942 9.895 6.015 1.00 0.00 C ATOM 952 CG ASN A 58 -5.286 9.909 7.503 1.00 0.00 C ATOM 953 OD1 ASN A 58 -6.384 9.518 7.894 1.00 0.00 O ATOM 954 ND2 ASN A 58 -4.357 10.337 8.350 1.00 0.00 N ATOM 0 H ASN A 58 -4.548 10.461 3.637 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.380 11.973 6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.866 9.934 5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.455 8.950 5.773 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.546 10.347 9.352 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.454 10.656 7.998 1.00 0.00 H new ATOM 961 N ARG A 59 -1.962 9.831 5.332 1.00 0.00 N ATOM 962 CA ARG A 59 -0.573 9.455 5.633 1.00 0.00 C ATOM 963 C ARG A 59 -0.503 8.628 6.912 1.00 0.00 C ATOM 964 O ARG A 59 -0.207 9.199 7.979 1.00 0.00 O ATOM 965 CB ARG A 59 0.336 10.691 5.764 1.00 0.00 C ATOM 966 CG ARG A 59 0.800 11.284 4.445 1.00 0.00 C ATOM 967 CD ARG A 59 1.866 10.419 3.797 1.00 0.00 C ATOM 968 NE ARG A 59 2.479 11.063 2.639 1.00 0.00 N ATOM 969 CZ ARG A 59 3.692 10.771 2.188 1.00 0.00 C ATOM 970 NH1 ARG A 59 4.406 9.806 2.761 1.00 0.00 N ATOM 971 NH2 ARG A 59 4.187 11.437 1.154 1.00 0.00 N ATOM 972 OXT ARG A 59 -0.742 7.404 6.843 1.00 0.00 O ATOM 0 H ARG A 59 -2.375 9.315 4.555 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.214 8.855 4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.198 11.459 6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.212 10.419 6.352 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.050 11.385 3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.194 12.286 4.613 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.638 10.188 4.531 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.424 9.471 3.490 1.00 0.00 H new ATOM 0 HE ARG A 59 1.944 11.779 2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.021 9.287 3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.338 9.585 2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.636 12.171 0.709 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.119 11.216 0.804 1.00 0.00 H new