USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 420 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 34 TYR OH : rot 180:sc= -0.0245 USER MOD Set 1.2: A 38 ASN : amide:sc= -0.0028 K(o=-0.027,f=-0.61) USER MOD Set 2.1: A 9 ASN : amide:sc= -0.454 K(o=-0.37,f=-1.5) USER MOD Set 2.2: A 14 LYS NZ :NH3+ -133:sc= 0.0804 (180deg=0) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.128 (180deg=-0.248) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.157 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0858 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= 1.22 (180deg=-0.313) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 118:sc= 1.14 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.649 K(o=0.65,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 118:sc= 1.23 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.304 1.736 3.780 1.00 0.00 N ATOM 2 CA MET A 1 -16.901 2.147 3.622 1.00 0.00 C ATOM 3 C MET A 1 -16.021 0.909 3.745 1.00 0.00 C ATOM 4 O MET A 1 -16.471 -0.123 4.250 1.00 0.00 O ATOM 5 CB MET A 1 -16.527 3.228 4.651 1.00 0.00 C ATOM 6 CG MET A 1 -15.303 4.048 4.239 1.00 0.00 C ATOM 7 SD MET A 1 -15.466 4.893 2.645 1.00 0.00 S ATOM 8 CE MET A 1 -14.004 5.949 2.781 1.00 0.00 C ATOM 0 H1 MET A 1 -18.813 1.886 2.885 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.344 0.729 4.036 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.749 2.302 4.530 1.00 0.00 H new ATOM 0 HA MET A 1 -16.748 2.593 2.639 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.376 3.898 4.791 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.333 2.754 5.613 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.103 4.791 5.011 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.436 3.388 4.199 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.771 6.376 1.805 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.200 6.753 3.491 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.158 5.356 3.129 1.00 0.00 H new ATOM 18 N GLY A 2 -14.776 0.978 3.276 1.00 0.00 N ATOM 19 CA GLY A 2 -13.812 -0.111 3.317 1.00 0.00 C ATOM 20 C GLY A 2 -12.472 0.390 3.836 1.00 0.00 C ATOM 21 O GLY A 2 -12.332 1.574 4.146 1.00 0.00 O ATOM 0 H GLY A 2 -14.402 1.823 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.183 -0.910 3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.689 -0.534 2.320 1.00 0.00 H new ATOM 25 N THR A 3 -11.508 -0.506 4.033 1.00 0.00 N ATOM 26 CA THR A 3 -10.162 -0.199 4.508 1.00 0.00 C ATOM 27 C THR A 3 -9.160 -1.096 3.770 1.00 0.00 C ATOM 28 O THR A 3 -9.490 -2.238 3.437 1.00 0.00 O ATOM 29 CB THR A 3 -10.129 -0.382 6.038 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.059 0.508 6.632 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.766 -0.101 6.680 1.00 0.00 C ATOM 0 H THR A 3 -11.648 -1.501 3.860 1.00 0.00 H new ATOM 0 HA THR A 3 -9.883 0.833 4.298 1.00 0.00 H new ATOM 0 HB THR A 3 -10.368 -1.431 6.213 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.044 0.395 7.605 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.833 -0.254 7.757 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.021 -0.778 6.263 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.474 0.929 6.477 1.00 0.00 H new ATOM 39 N TYR A 4 -7.953 -0.597 3.492 1.00 0.00 N ATOM 40 CA TYR A 4 -6.883 -1.332 2.825 1.00 0.00 C ATOM 41 C TYR A 4 -5.663 -1.311 3.737 1.00 0.00 C ATOM 42 O TYR A 4 -5.236 -0.243 4.191 1.00 0.00 O ATOM 43 CB TYR A 4 -6.504 -0.729 1.463 1.00 0.00 C ATOM 44 CG TYR A 4 -7.537 -0.905 0.371 1.00 0.00 C ATOM 45 CD1 TYR A 4 -7.635 -2.116 -0.346 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.397 0.161 0.061 1.00 0.00 C ATOM 47 CE1 TYR A 4 -8.620 -2.270 -1.340 1.00 0.00 C ATOM 48 CE2 TYR A 4 -9.377 0.018 -0.933 1.00 0.00 C ATOM 49 CZ TYR A 4 -9.507 -1.205 -1.623 1.00 0.00 C ATOM 50 OH TYR A 4 -10.516 -1.343 -2.522 1.00 0.00 O ATOM 0 H TYR A 4 -7.689 0.358 3.733 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.234 -2.347 2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.316 0.337 1.595 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.568 -1.179 1.132 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.953 -2.926 -0.132 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -8.303 1.097 0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.698 -3.199 -1.885 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.031 0.844 -1.169 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.019 -0.504 -2.580 1.00 0.00 H new ATOM 60 N LYS A 5 -5.139 -2.497 4.041 1.00 0.00 N ATOM 61 CA LYS A 5 -3.952 -2.671 4.868 1.00 0.00 C ATOM 62 C LYS A 5 -2.786 -2.568 3.898 1.00 0.00 C ATOM 63 O LYS A 5 -2.672 -3.401 2.995 1.00 0.00 O ATOM 64 CB LYS A 5 -3.989 -4.028 5.570 1.00 0.00 C ATOM 65 CG LYS A 5 -5.067 -4.044 6.658 1.00 0.00 C ATOM 66 CD LYS A 5 -5.218 -5.447 7.239 1.00 0.00 C ATOM 67 CE LYS A 5 -6.410 -5.450 8.199 1.00 0.00 C ATOM 68 NZ LYS A 5 -7.054 -6.772 8.241 1.00 0.00 N ATOM 0 H LYS A 5 -5.536 -3.377 3.713 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.876 -1.927 5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.188 -4.815 4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.016 -4.241 6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.804 -3.342 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.018 -3.712 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.373 -6.173 6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.308 -5.740 7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.076 -5.173 9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.135 -4.699 7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.859 -6.745 8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.393 -7.024 7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.367 -7.483 8.563 1.00 0.00 H new ATOM 82 N LEU A 6 -2.001 -1.505 4.016 1.00 0.00 N ATOM 83 CA LEU A 6 -0.854 -1.232 3.170 1.00 0.00 C ATOM 84 C LEU A 6 0.370 -1.937 3.737 1.00 0.00 C ATOM 85 O LEU A 6 0.844 -1.540 4.802 1.00 0.00 O ATOM 86 CB LEU A 6 -0.631 0.291 3.111 1.00 0.00 C ATOM 87 CG LEU A 6 0.237 0.812 1.949 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.568 0.091 1.702 1.00 0.00 C ATOM 89 CD2 LEU A 6 -0.576 0.759 0.662 1.00 0.00 C ATOM 0 H LEU A 6 -2.153 -0.789 4.726 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.029 -1.603 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.605 0.777 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.172 0.606 4.048 1.00 0.00 H new ATOM 0 HG LEU A 6 0.512 1.823 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.081 0.553 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.193 0.165 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.377 -0.959 1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.030 1.126 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.877 -0.270 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.464 1.383 0.766 1.00 0.00 H new ATOM 101 N ILE A 7 0.833 -3.011 3.099 1.00 0.00 N ATOM 102 CA ILE A 7 2.024 -3.741 3.530 1.00 0.00 C ATOM 103 C ILE A 7 3.107 -3.245 2.569 1.00 0.00 C ATOM 104 O ILE A 7 2.941 -3.295 1.349 1.00 0.00 O ATOM 105 CB ILE A 7 1.829 -5.278 3.528 1.00 0.00 C ATOM 106 CG1 ILE A 7 0.908 -5.794 4.662 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.181 -5.995 3.737 1.00 0.00 C ATOM 108 CD1 ILE A 7 -0.569 -5.412 4.547 1.00 0.00 C ATOM 0 H ILE A 7 0.391 -3.400 2.266 1.00 0.00 H new ATOM 0 HA ILE A 7 2.286 -3.551 4.571 1.00 0.00 H new ATOM 0 HB ILE A 7 1.376 -5.495 2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.981 -6.881 4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.288 -5.418 5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.025 -7.074 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.865 -5.724 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.609 -5.694 4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.119 -5.826 5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.665 -4.326 4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.977 -5.812 3.619 1.00 0.00 H new ATOM 120 N LEU A 8 4.191 -2.713 3.116 1.00 0.00 N ATOM 121 CA LEU A 8 5.317 -2.175 2.379 1.00 0.00 C ATOM 122 C LEU A 8 6.470 -3.160 2.547 1.00 0.00 C ATOM 123 O LEU A 8 6.877 -3.413 3.679 1.00 0.00 O ATOM 124 CB LEU A 8 5.622 -0.774 2.945 1.00 0.00 C ATOM 125 CG LEU A 8 6.353 0.116 1.938 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.379 0.663 0.888 1.00 0.00 C ATOM 127 CD2 LEU A 8 7.021 1.293 2.656 1.00 0.00 C ATOM 0 H LEU A 8 4.311 -2.643 4.127 1.00 0.00 H new ATOM 0 HA LEU A 8 5.126 -2.058 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.689 -0.294 3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.228 -0.873 3.845 1.00 0.00 H new ATOM 0 HG LEU A 8 7.111 -0.492 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.921 1.293 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.917 -0.167 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.606 1.252 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.537 1.918 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.262 1.885 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.739 0.915 3.384 1.00 0.00 H new ATOM 139 N ASN A 9 6.982 -3.736 1.458 1.00 0.00 N ATOM 140 CA ASN A 9 8.074 -4.707 1.467 1.00 0.00 C ATOM 141 C ASN A 9 9.162 -4.205 0.520 1.00 0.00 C ATOM 142 O ASN A 9 8.969 -4.255 -0.694 1.00 0.00 O ATOM 143 CB ASN A 9 7.519 -6.088 1.070 1.00 0.00 C ATOM 144 CG ASN A 9 8.597 -7.135 0.810 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.809 -8.031 1.622 1.00 0.00 O ATOM 146 ND2 ASN A 9 9.281 -7.056 -0.315 1.00 0.00 N ATOM 0 H ASN A 9 6.638 -3.533 0.520 1.00 0.00 H new ATOM 0 HA ASN A 9 8.517 -4.815 2.457 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.862 -6.446 1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.908 -5.979 0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.001 -7.747 -0.523 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.089 -6.304 -0.977 1.00 0.00 H new ATOM 153 N GLY A 10 10.279 -3.711 1.059 1.00 0.00 N ATOM 154 CA GLY A 10 11.400 -3.183 0.288 1.00 0.00 C ATOM 155 C GLY A 10 12.685 -3.992 0.448 1.00 0.00 C ATOM 156 O GLY A 10 12.742 -4.952 1.221 1.00 0.00 O ATOM 0 H GLY A 10 10.430 -3.667 2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.125 -3.157 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.588 -2.154 0.593 1.00 0.00 H new ATOM 160 N LYS A 11 13.745 -3.581 -0.259 1.00 0.00 N ATOM 161 CA LYS A 11 15.063 -4.233 -0.220 1.00 0.00 C ATOM 162 C LYS A 11 15.871 -3.860 1.021 1.00 0.00 C ATOM 163 O LYS A 11 16.937 -4.438 1.228 1.00 0.00 O ATOM 164 CB LYS A 11 15.919 -3.901 -1.469 1.00 0.00 C ATOM 165 CG LYS A 11 16.246 -2.408 -1.677 1.00 0.00 C ATOM 166 CD LYS A 11 15.318 -1.731 -2.683 1.00 0.00 C ATOM 167 CE LYS A 11 15.513 -0.206 -2.674 1.00 0.00 C ATOM 168 NZ LYS A 11 14.479 0.476 -3.476 1.00 0.00 N ATOM 0 H LYS A 11 13.712 -2.775 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 11 14.844 -5.300 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.856 -4.454 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.396 -4.266 -2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.177 -1.890 -0.721 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.277 -2.311 -2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.513 -2.120 -3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.282 -1.970 -2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.479 0.160 -1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.500 0.038 -3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.866 1.361 -3.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.183 -0.142 -4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.658 0.690 -2.874 1.00 0.00 H new ATOM 182 N THR A 12 15.398 -2.923 1.839 1.00 0.00 N ATOM 183 CA THR A 12 16.127 -2.479 3.021 1.00 0.00 C ATOM 184 C THR A 12 15.234 -2.304 4.251 1.00 0.00 C ATOM 185 O THR A 12 15.734 -2.401 5.373 1.00 0.00 O ATOM 186 CB THR A 12 16.792 -1.135 2.646 1.00 0.00 C ATOM 187 OG1 THR A 12 17.504 -1.214 1.423 1.00 0.00 O ATOM 188 CG2 THR A 12 17.762 -0.611 3.703 1.00 0.00 C ATOM 0 H THR A 12 14.503 -2.453 1.701 1.00 0.00 H new ATOM 0 HA THR A 12 16.857 -3.238 3.300 1.00 0.00 H new ATOM 0 HB THR A 12 15.953 -0.444 2.561 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.907 -0.344 1.222 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.188 0.335 3.369 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.229 -0.457 4.641 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.562 -1.336 3.854 1.00 0.00 H new ATOM 196 N LEU A 13 13.945 -2.016 4.061 1.00 0.00 N ATOM 197 CA LEU A 13 12.986 -1.782 5.129 1.00 0.00 C ATOM 198 C LEU A 13 11.591 -2.265 4.744 1.00 0.00 C ATOM 199 O LEU A 13 11.342 -2.590 3.577 1.00 0.00 O ATOM 200 CB LEU A 13 13.003 -0.275 5.484 1.00 0.00 C ATOM 201 CG LEU A 13 12.425 0.771 4.496 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.043 0.721 3.090 1.00 0.00 C ATOM 203 CD2 LEU A 13 10.897 0.748 4.376 1.00 0.00 C ATOM 0 H LEU A 13 13.533 -1.938 3.131 1.00 0.00 H new ATOM 0 HA LEU A 13 13.270 -2.358 6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.466 -0.160 6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.041 -0.000 5.673 1.00 0.00 H new ATOM 0 HG LEU A 13 12.715 1.713 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.583 1.485 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.115 0.904 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.870 -0.262 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.576 1.510 3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.574 -0.233 4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.452 0.950 5.350 1.00 0.00 H new ATOM 215 N LYS A 14 10.680 -2.280 5.721 1.00 0.00 N ATOM 216 CA LYS A 14 9.279 -2.670 5.579 1.00 0.00 C ATOM 217 C LYS A 14 8.400 -1.753 6.424 1.00 0.00 C ATOM 218 O LYS A 14 8.913 -0.998 7.257 1.00 0.00 O ATOM 219 CB LYS A 14 9.028 -4.124 5.990 1.00 0.00 C ATOM 220 CG LYS A 14 9.825 -5.138 5.171 1.00 0.00 C ATOM 221 CD LYS A 14 9.145 -6.497 5.286 1.00 0.00 C ATOM 222 CE LYS A 14 9.928 -7.568 4.531 1.00 0.00 C ATOM 223 NZ LYS A 14 9.217 -8.863 4.556 1.00 0.00 N ATOM 0 H LYS A 14 10.912 -2.007 6.676 1.00 0.00 H new ATOM 0 HA LYS A 14 9.028 -2.577 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.279 -4.243 7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.965 -4.343 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.874 -4.827 4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.851 -5.196 5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.059 -6.777 6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.132 -6.435 4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.079 -7.252 3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.916 -7.683 4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.884 -9.620 4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.453 -8.826 5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.813 -9.056 3.617 1.00 0.00 H new ATOM 237 N GLY A 15 7.091 -1.783 6.202 1.00 0.00 N ATOM 238 CA GLY A 15 6.120 -0.981 6.928 1.00 0.00 C ATOM 239 C GLY A 15 4.733 -1.601 6.803 1.00 0.00 C ATOM 240 O GLY A 15 4.489 -2.417 5.909 1.00 0.00 O ATOM 0 H GLY A 15 6.667 -2.382 5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.404 -0.914 7.978 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.110 0.036 6.535 1.00 0.00 H new ATOM 244 N GLU A 16 3.817 -1.236 7.696 1.00 0.00 N ATOM 245 CA GLU A 16 2.445 -1.715 7.701 1.00 0.00 C ATOM 246 C GLU A 16 1.569 -0.570 8.213 1.00 0.00 C ATOM 247 O GLU A 16 1.707 -0.151 9.363 1.00 0.00 O ATOM 248 CB GLU A 16 2.314 -3.002 8.531 1.00 0.00 C ATOM 249 CG GLU A 16 0.878 -3.527 8.413 1.00 0.00 C ATOM 250 CD GLU A 16 0.672 -4.948 8.939 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.300 -5.365 9.938 1.00 0.00 O ATOM 252 OE2 GLU A 16 -0.227 -5.628 8.389 1.00 0.00 O ATOM 0 H GLU A 16 4.017 -0.583 8.453 1.00 0.00 H new ATOM 0 HA GLU A 16 2.116 -1.992 6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.020 -3.753 8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.558 -2.804 9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.214 -2.854 8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.579 -3.495 7.365 1.00 0.00 H new ATOM 259 N THR A 17 0.629 -0.094 7.394 1.00 0.00 N ATOM 260 CA THR A 17 -0.267 1.016 7.723 1.00 0.00 C ATOM 261 C THR A 17 -1.703 0.714 7.252 1.00 0.00 C ATOM 262 O THR A 17 -1.941 -0.297 6.580 1.00 0.00 O ATOM 263 CB THR A 17 0.337 2.319 7.149 1.00 0.00 C ATOM 264 OG1 THR A 17 0.660 2.192 5.775 1.00 0.00 O ATOM 265 CG2 THR A 17 1.635 2.736 7.847 1.00 0.00 C ATOM 0 H THR A 17 0.466 -0.478 6.463 1.00 0.00 H new ATOM 0 HA THR A 17 -0.352 1.150 8.801 1.00 0.00 H new ATOM 0 HB THR A 17 -0.439 3.067 7.311 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.125 2.826 5.253 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.009 3.657 7.399 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.442 2.900 8.907 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.379 1.948 7.732 1.00 0.00 H new ATOM 273 N THR A 18 -2.676 1.581 7.558 1.00 0.00 N ATOM 274 CA THR A 18 -4.086 1.406 7.195 1.00 0.00 C ATOM 275 C THR A 18 -4.677 2.704 6.629 1.00 0.00 C ATOM 276 O THR A 18 -4.316 3.787 7.083 1.00 0.00 O ATOM 277 CB THR A 18 -4.857 0.996 8.468 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.587 1.931 9.499 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.482 -0.404 8.965 1.00 0.00 C ATOM 0 H THR A 18 -2.500 2.442 8.076 1.00 0.00 H new ATOM 0 HA THR A 18 -4.170 0.640 6.425 1.00 0.00 H new ATOM 0 HB THR A 18 -5.916 0.983 8.211 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.076 1.675 10.309 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.056 -0.637 9.862 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.706 -1.137 8.190 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.417 -0.435 9.197 1.00 0.00 H new ATOM 287 N THR A 19 -5.561 2.630 5.633 1.00 0.00 N ATOM 288 CA THR A 19 -6.217 3.790 5.030 1.00 0.00 C ATOM 289 C THR A 19 -7.626 3.363 4.612 1.00 0.00 C ATOM 290 O THR A 19 -7.809 2.216 4.185 1.00 0.00 O ATOM 291 CB THR A 19 -5.345 4.379 3.908 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.700 5.699 3.558 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.304 3.528 2.637 1.00 0.00 C ATOM 0 H THR A 19 -5.846 1.744 5.215 1.00 0.00 H new ATOM 0 HA THR A 19 -6.330 4.613 5.735 1.00 0.00 H new ATOM 0 HB THR A 19 -4.348 4.383 4.348 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.110 6.018 2.843 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.669 4.012 1.895 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.902 2.543 2.872 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.313 3.422 2.237 1.00 0.00 H new ATOM 301 N GLU A 20 -8.631 4.214 4.827 1.00 0.00 N ATOM 302 CA GLU A 20 -10.014 3.940 4.459 1.00 0.00 C ATOM 303 C GLU A 20 -10.447 4.950 3.403 1.00 0.00 C ATOM 304 O GLU A 20 -10.582 6.140 3.694 1.00 0.00 O ATOM 305 CB GLU A 20 -10.947 3.878 5.681 1.00 0.00 C ATOM 306 CG GLU A 20 -10.833 4.980 6.740 1.00 0.00 C ATOM 307 CD GLU A 20 -11.994 4.872 7.733 1.00 0.00 C ATOM 308 OE1 GLU A 20 -12.075 3.890 8.512 1.00 0.00 O ATOM 309 OE2 GLU A 20 -12.899 5.730 7.700 1.00 0.00 O ATOM 0 H GLU A 20 -8.501 5.125 5.268 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.086 2.943 4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.974 3.874 5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.781 2.922 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.883 4.893 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.843 5.959 6.261 1.00 0.00 H new ATOM 316 N ALA A 21 -10.641 4.471 2.173 1.00 0.00 N ATOM 317 CA ALA A 21 -11.061 5.256 1.018 1.00 0.00 C ATOM 318 C ALA A 21 -12.116 4.483 0.219 1.00 0.00 C ATOM 319 O ALA A 21 -12.274 3.272 0.397 1.00 0.00 O ATOM 320 CB ALA A 21 -9.843 5.568 0.147 1.00 0.00 C ATOM 0 H ALA A 21 -10.503 3.486 1.949 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.504 6.194 1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.154 6.155 -0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.116 6.135 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.389 4.636 -0.191 1.00 0.00 H new ATOM 326 N VAL A 22 -12.819 5.160 -0.685 1.00 0.00 N ATOM 327 CA VAL A 22 -13.855 4.569 -1.527 1.00 0.00 C ATOM 328 C VAL A 22 -13.284 3.557 -2.529 1.00 0.00 C ATOM 329 O VAL A 22 -13.993 2.624 -2.907 1.00 0.00 O ATOM 330 CB VAL A 22 -14.632 5.707 -2.230 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.758 6.504 -3.217 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.899 5.208 -2.939 1.00 0.00 C ATOM 0 H VAL A 22 -12.681 6.156 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.541 4.000 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.935 6.380 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.356 7.289 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.922 6.953 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.377 5.835 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.405 6.048 -3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.627 4.472 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.567 4.748 -2.210 1.00 0.00 H new ATOM 342 N ASP A 23 -12.013 3.688 -2.928 1.00 0.00 N ATOM 343 CA ASP A 23 -11.388 2.798 -3.900 1.00 0.00 C ATOM 344 C ASP A 23 -9.919 2.561 -3.585 1.00 0.00 C ATOM 345 O ASP A 23 -9.266 3.385 -2.936 1.00 0.00 O ATOM 346 CB ASP A 23 -11.492 3.433 -5.300 1.00 0.00 C ATOM 347 CG ASP A 23 -12.703 2.914 -6.062 1.00 0.00 C ATOM 348 OD1 ASP A 23 -12.686 1.721 -6.437 1.00 0.00 O ATOM 349 OD2 ASP A 23 -13.643 3.693 -6.327 1.00 0.00 O ATOM 0 H ASP A 23 -11.391 4.419 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.907 1.840 -3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.559 4.517 -5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.586 3.218 -5.866 1.00 0.00 H new ATOM 354 N ALA A 24 -9.401 1.446 -4.106 1.00 0.00 N ATOM 355 CA ALA A 24 -8.022 1.008 -3.963 1.00 0.00 C ATOM 356 C ALA A 24 -7.082 2.056 -4.562 1.00 0.00 C ATOM 357 O ALA A 24 -6.022 2.325 -4.003 1.00 0.00 O ATOM 358 CB ALA A 24 -7.862 -0.344 -4.673 1.00 0.00 C ATOM 0 H ALA A 24 -9.961 0.800 -4.662 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.768 0.891 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.832 -0.687 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.532 -1.074 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.108 -0.232 -5.729 1.00 0.00 H new ATOM 364 N ALA A 25 -7.484 2.673 -5.678 1.00 0.00 N ATOM 365 CA ALA A 25 -6.703 3.694 -6.356 1.00 0.00 C ATOM 366 C ALA A 25 -6.362 4.842 -5.402 1.00 0.00 C ATOM 367 O ALA A 25 -5.239 5.339 -5.426 1.00 0.00 O ATOM 368 CB ALA A 25 -7.485 4.207 -7.565 1.00 0.00 C ATOM 0 H ALA A 25 -8.373 2.470 -6.135 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.763 3.259 -6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.903 4.973 -8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.679 3.381 -8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.432 4.633 -7.232 1.00 0.00 H new ATOM 374 N THR A 26 -7.310 5.284 -4.571 1.00 0.00 N ATOM 375 CA THR A 26 -7.062 6.363 -3.625 1.00 0.00 C ATOM 376 C THR A 26 -6.031 5.909 -2.594 1.00 0.00 C ATOM 377 O THR A 26 -5.103 6.664 -2.311 1.00 0.00 O ATOM 378 CB THR A 26 -8.388 6.801 -2.990 1.00 0.00 C ATOM 379 OG1 THR A 26 -9.268 7.188 -4.032 1.00 0.00 O ATOM 380 CG2 THR A 26 -8.211 7.962 -2.007 1.00 0.00 C ATOM 0 H THR A 26 -8.257 4.907 -4.538 1.00 0.00 H new ATOM 0 HA THR A 26 -6.646 7.233 -4.133 1.00 0.00 H new ATOM 0 HB THR A 26 -8.791 5.964 -2.421 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.124 7.471 -3.649 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.179 8.233 -1.586 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.538 7.660 -1.204 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.790 8.820 -2.530 1.00 0.00 H new ATOM 388 N ALA A 27 -6.181 4.697 -2.046 1.00 0.00 N ATOM 389 CA ALA A 27 -5.250 4.162 -1.061 1.00 0.00 C ATOM 390 C ALA A 27 -3.830 4.177 -1.632 1.00 0.00 C ATOM 391 O ALA A 27 -2.919 4.704 -0.999 1.00 0.00 O ATOM 392 CB ALA A 27 -5.676 2.745 -0.650 1.00 0.00 C ATOM 0 H ALA A 27 -6.949 4.067 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.263 4.786 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.974 2.353 0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.676 2.777 -0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.681 2.098 -1.527 1.00 0.00 H new ATOM 398 N GLU A 28 -3.672 3.649 -2.845 1.00 0.00 N ATOM 399 CA GLU A 28 -2.412 3.552 -3.567 1.00 0.00 C ATOM 400 C GLU A 28 -1.800 4.927 -3.833 1.00 0.00 C ATOM 401 O GLU A 28 -0.677 5.204 -3.412 1.00 0.00 O ATOM 402 CB GLU A 28 -2.733 2.834 -4.892 1.00 0.00 C ATOM 403 CG GLU A 28 -1.552 2.566 -5.831 1.00 0.00 C ATOM 404 CD GLU A 28 -2.033 2.499 -7.282 1.00 0.00 C ATOM 405 OE1 GLU A 28 -2.280 3.573 -7.877 1.00 0.00 O ATOM 406 OE2 GLU A 28 -2.162 1.393 -7.861 1.00 0.00 O ATOM 0 H GLU A 28 -4.455 3.261 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.675 3.005 -2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.205 1.880 -4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.469 3.429 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.807 3.354 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.067 1.629 -5.558 1.00 0.00 H new ATOM 413 N LYS A 29 -2.558 5.822 -4.468 1.00 0.00 N ATOM 414 CA LYS A 29 -2.095 7.160 -4.814 1.00 0.00 C ATOM 415 C LYS A 29 -1.669 7.949 -3.583 1.00 0.00 C ATOM 416 O LYS A 29 -0.579 8.524 -3.597 1.00 0.00 O ATOM 417 CB LYS A 29 -3.174 7.893 -5.628 1.00 0.00 C ATOM 418 CG LYS A 29 -3.281 7.341 -7.066 1.00 0.00 C ATOM 419 CD LYS A 29 -4.629 7.640 -7.739 1.00 0.00 C ATOM 420 CE LYS A 29 -4.949 9.136 -7.782 1.00 0.00 C ATOM 421 NZ LYS A 29 -6.347 9.376 -8.194 1.00 0.00 N ATOM 0 H LYS A 29 -3.518 5.634 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.204 7.068 -5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.137 7.793 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.942 8.957 -5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.480 7.767 -7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.126 6.262 -7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.618 7.246 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.422 7.118 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.777 9.575 -6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.273 9.635 -8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.532 10.399 -8.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.503 8.978 -9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.992 8.920 -7.517 1.00 0.00 H new ATOM 435 N VAL A 30 -2.488 7.971 -2.532 1.00 0.00 N ATOM 436 CA VAL A 30 -2.185 8.709 -1.314 1.00 0.00 C ATOM 437 C VAL A 30 -0.996 8.089 -0.572 1.00 0.00 C ATOM 438 O VAL A 30 -0.049 8.823 -0.261 1.00 0.00 O ATOM 439 CB VAL A 30 -3.455 8.854 -0.449 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.158 9.594 0.862 1.00 0.00 C ATOM 441 CG2 VAL A 30 -4.540 9.664 -1.188 1.00 0.00 C ATOM 0 H VAL A 30 -3.380 7.476 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.869 9.720 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.802 7.841 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.074 9.679 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.413 9.039 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.776 10.590 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.423 9.751 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.159 10.659 -1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.806 9.155 -2.115 1.00 0.00 H new ATOM 451 N PHE A 31 -1.002 6.777 -0.284 1.00 0.00 N ATOM 452 CA PHE A 31 0.116 6.161 0.434 1.00 0.00 C ATOM 453 C PHE A 31 1.417 6.180 -0.359 1.00 0.00 C ATOM 454 O PHE A 31 2.466 6.017 0.260 1.00 0.00 O ATOM 455 CB PHE A 31 -0.176 4.728 0.918 1.00 0.00 C ATOM 456 CG PHE A 31 -0.728 4.592 2.328 1.00 0.00 C ATOM 457 CD1 PHE A 31 -0.152 5.291 3.411 1.00 0.00 C ATOM 458 CD2 PHE A 31 -1.750 3.662 2.584 1.00 0.00 C ATOM 459 CE1 PHE A 31 -0.618 5.087 4.720 1.00 0.00 C ATOM 460 CE2 PHE A 31 -2.164 3.407 3.902 1.00 0.00 C ATOM 461 CZ PHE A 31 -1.629 4.148 4.966 1.00 0.00 C ATOM 0 H PHE A 31 -1.755 6.136 -0.533 1.00 0.00 H new ATOM 0 HA PHE A 31 0.241 6.790 1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.885 4.272 0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.747 4.151 0.855 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.653 5.988 3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.220 3.141 1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.197 5.654 5.537 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.897 2.638 4.097 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.995 3.996 5.971 1.00 0.00 H new ATOM 471 N LYS A 32 1.404 6.415 -1.676 1.00 0.00 N ATOM 472 CA LYS A 32 2.628 6.461 -2.473 1.00 0.00 C ATOM 473 C LYS A 32 3.618 7.464 -1.898 1.00 0.00 C ATOM 474 O LYS A 32 4.819 7.218 -1.972 1.00 0.00 O ATOM 475 CB LYS A 32 2.288 6.762 -3.929 1.00 0.00 C ATOM 476 CG LYS A 32 3.524 6.655 -4.826 1.00 0.00 C ATOM 477 CD LYS A 32 3.051 6.721 -6.271 1.00 0.00 C ATOM 478 CE LYS A 32 4.222 6.871 -7.233 1.00 0.00 C ATOM 479 NZ LYS A 32 3.787 6.585 -8.609 1.00 0.00 N ATOM 0 H LYS A 32 0.552 6.577 -2.212 1.00 0.00 H new ATOM 0 HA LYS A 32 3.113 5.486 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.523 6.067 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.867 7.764 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.222 7.465 -4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.053 5.721 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.492 5.817 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.368 7.561 -6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.624 7.882 -7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.025 6.191 -6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.594 6.690 -9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.424 5.612 -8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.035 7.250 -8.881 1.00 0.00 H new ATOM 493 N GLN A 33 3.122 8.559 -1.314 1.00 0.00 N ATOM 494 CA GLN A 33 3.952 9.584 -0.700 1.00 0.00 C ATOM 495 C GLN A 33 4.807 8.917 0.379 1.00 0.00 C ATOM 496 O GLN A 33 6.028 8.902 0.282 1.00 0.00 O ATOM 497 CB GLN A 33 3.046 10.634 -0.039 1.00 0.00 C ATOM 498 CG GLN A 33 2.213 11.480 -1.004 1.00 0.00 C ATOM 499 CD GLN A 33 1.234 12.330 -0.204 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.460 13.512 0.056 1.00 0.00 O ATOM 501 NE2 GLN A 33 0.152 11.736 0.274 1.00 0.00 N ATOM 0 H GLN A 33 2.123 8.755 -1.257 1.00 0.00 H new ATOM 0 HA GLN A 33 4.583 10.064 -1.449 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.370 10.125 0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.667 11.301 0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.863 12.118 -1.602 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.672 10.836 -1.698 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.031 10.757 0.056 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.499 12.258 0.861 1.00 0.00 H new ATOM 510 N TYR A 34 4.143 8.288 1.353 1.00 0.00 N ATOM 511 CA TYR A 34 4.748 7.593 2.477 1.00 0.00 C ATOM 512 C TYR A 34 5.632 6.445 1.993 1.00 0.00 C ATOM 513 O TYR A 34 6.739 6.294 2.489 1.00 0.00 O ATOM 514 CB TYR A 34 3.640 7.120 3.440 1.00 0.00 C ATOM 515 CG TYR A 34 3.887 5.766 4.079 1.00 0.00 C ATOM 516 CD1 TYR A 34 4.735 5.652 5.197 1.00 0.00 C ATOM 517 CD2 TYR A 34 3.341 4.611 3.486 1.00 0.00 C ATOM 518 CE1 TYR A 34 5.055 4.382 5.709 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.653 3.342 3.995 1.00 0.00 C ATOM 520 CZ TYR A 34 4.518 3.224 5.107 1.00 0.00 C ATOM 521 OH TYR A 34 4.864 1.996 5.571 1.00 0.00 O ATOM 0 H TYR A 34 3.124 8.252 1.374 1.00 0.00 H new ATOM 0 HA TYR A 34 5.401 8.274 3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.523 7.863 4.229 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.697 7.082 2.895 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.139 6.539 5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.680 4.703 2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.711 4.293 6.562 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.234 2.457 3.539 1.00 0.00 H new ATOM 0 HH TYR A 34 4.405 1.307 5.046 1.00 0.00 H new ATOM 531 N ALA A 35 5.175 5.645 1.027 1.00 0.00 N ATOM 532 CA ALA A 35 5.923 4.515 0.496 1.00 0.00 C ATOM 533 C ALA A 35 7.270 4.973 -0.059 1.00 0.00 C ATOM 534 O ALA A 35 8.317 4.436 0.308 1.00 0.00 O ATOM 535 CB ALA A 35 5.095 3.827 -0.591 1.00 0.00 C ATOM 0 H ALA A 35 4.262 5.770 0.589 1.00 0.00 H new ATOM 0 HA ALA A 35 6.119 3.805 1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.652 2.980 -0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.156 3.475 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.886 4.535 -1.393 1.00 0.00 H new ATOM 541 N ASN A 36 7.233 5.960 -0.961 1.00 0.00 N ATOM 542 CA ASN A 36 8.431 6.500 -1.587 1.00 0.00 C ATOM 543 C ASN A 36 9.327 7.140 -0.531 1.00 0.00 C ATOM 544 O ASN A 36 10.535 6.924 -0.542 1.00 0.00 O ATOM 545 CB ASN A 36 8.051 7.519 -2.667 1.00 0.00 C ATOM 546 CG ASN A 36 9.256 7.835 -3.539 1.00 0.00 C ATOM 547 OD1 ASN A 36 10.091 8.665 -3.189 1.00 0.00 O ATOM 548 ND2 ASN A 36 9.366 7.178 -4.680 1.00 0.00 N ATOM 0 H ASN A 36 6.369 6.403 -1.273 1.00 0.00 H new ATOM 0 HA ASN A 36 8.981 5.688 -2.062 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.242 7.124 -3.281 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.681 8.432 -2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.160 7.355 -5.296 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.657 6.494 -4.945 1.00 0.00 H new ATOM 555 N ASP A 37 8.732 7.885 0.401 1.00 0.00 N ATOM 556 CA ASP A 37 9.410 8.571 1.498 1.00 0.00 C ATOM 557 C ASP A 37 10.099 7.582 2.439 1.00 0.00 C ATOM 558 O ASP A 37 11.157 7.888 2.986 1.00 0.00 O ATOM 559 CB ASP A 37 8.386 9.430 2.243 1.00 0.00 C ATOM 560 CG ASP A 37 9.000 10.228 3.382 1.00 0.00 C ATOM 561 OD1 ASP A 37 9.767 11.175 3.098 1.00 0.00 O ATOM 562 OD2 ASP A 37 8.594 10.002 4.545 1.00 0.00 O ATOM 0 H ASP A 37 7.723 8.032 0.411 1.00 0.00 H new ATOM 0 HA ASP A 37 10.196 9.210 1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.914 10.115 1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.600 8.787 2.639 1.00 0.00 H new ATOM 567 N ASN A 38 9.524 6.388 2.609 1.00 0.00 N ATOM 568 CA ASN A 38 10.063 5.324 3.453 1.00 0.00 C ATOM 569 C ASN A 38 11.199 4.601 2.715 1.00 0.00 C ATOM 570 O ASN A 38 12.012 3.937 3.351 1.00 0.00 O ATOM 571 CB ASN A 38 8.938 4.346 3.852 1.00 0.00 C ATOM 572 CG ASN A 38 9.190 3.567 5.141 1.00 0.00 C ATOM 573 OD1 ASN A 38 10.241 3.649 5.772 1.00 0.00 O ATOM 574 ND2 ASN A 38 8.190 2.838 5.606 1.00 0.00 N ATOM 0 H ASN A 38 8.650 6.131 2.151 1.00 0.00 H new ATOM 0 HA ASN A 38 10.472 5.754 4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.010 4.907 3.960 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.789 3.636 3.039 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.290 2.341 6.491 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.319 2.772 5.079 1.00 0.00 H new ATOM 581 N GLY A 39 11.280 4.717 1.382 1.00 0.00 N ATOM 582 CA GLY A 39 12.315 4.107 0.549 1.00 0.00 C ATOM 583 C GLY A 39 11.880 2.866 -0.227 1.00 0.00 C ATOM 584 O GLY A 39 12.744 2.066 -0.598 1.00 0.00 O ATOM 0 H GLY A 39 10.604 5.256 0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.673 4.852 -0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.160 3.841 1.184 1.00 0.00 H new ATOM 588 N VAL A 40 10.582 2.661 -0.472 1.00 0.00 N ATOM 589 CA VAL A 40 10.085 1.496 -1.204 1.00 0.00 C ATOM 590 C VAL A 40 9.344 1.971 -2.445 1.00 0.00 C ATOM 591 O VAL A 40 8.515 2.883 -2.379 1.00 0.00 O ATOM 592 CB VAL A 40 9.222 0.592 -0.304 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.877 -0.730 -1.007 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.934 0.283 1.023 1.00 0.00 C ATOM 0 H VAL A 40 9.847 3.300 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 40 10.924 0.878 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 40 8.302 1.139 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.267 -1.346 -0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.323 -0.522 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.796 -1.262 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.299 -0.357 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.876 -0.227 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.132 1.214 1.555 1.00 0.00 H new ATOM 604 N ASP A 41 9.664 1.373 -3.589 1.00 0.00 N ATOM 605 CA ASP A 41 9.057 1.684 -4.875 1.00 0.00 C ATOM 606 C ASP A 41 9.145 0.402 -5.695 1.00 0.00 C ATOM 607 O ASP A 41 10.207 0.065 -6.220 1.00 0.00 O ATOM 608 CB ASP A 41 9.793 2.863 -5.523 1.00 0.00 C ATOM 609 CG ASP A 41 9.040 3.449 -6.712 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.901 3.013 -7.008 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.550 4.454 -7.253 1.00 0.00 O ATOM 0 H ASP A 41 10.371 0.640 -3.646 1.00 0.00 H new ATOM 0 HA ASP A 41 8.016 1.996 -4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.948 3.643 -4.777 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.779 2.534 -5.850 1.00 0.00 H new ATOM 616 N GLY A 42 8.048 -0.357 -5.735 1.00 0.00 N ATOM 617 CA GLY A 42 7.974 -1.628 -6.434 1.00 0.00 C ATOM 618 C GLY A 42 6.583 -1.929 -6.961 1.00 0.00 C ATOM 619 O GLY A 42 5.783 -1.029 -7.188 1.00 0.00 O ATOM 0 H GLY A 42 7.177 -0.096 -5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.679 -1.622 -7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.283 -2.427 -5.760 1.00 0.00 H new ATOM 623 N GLU A 43 6.315 -3.212 -7.172 1.00 0.00 N ATOM 624 CA GLU A 43 5.069 -3.737 -7.695 1.00 0.00 C ATOM 625 C GLU A 43 3.909 -3.602 -6.695 1.00 0.00 C ATOM 626 O GLU A 43 3.852 -4.332 -5.702 1.00 0.00 O ATOM 627 CB GLU A 43 5.356 -5.184 -8.118 1.00 0.00 C ATOM 628 CG GLU A 43 4.237 -5.767 -8.973 1.00 0.00 C ATOM 629 CD GLU A 43 4.694 -7.044 -9.681 1.00 0.00 C ATOM 630 OE1 GLU A 43 5.345 -6.937 -10.747 1.00 0.00 O ATOM 631 OE2 GLU A 43 4.339 -8.149 -9.202 1.00 0.00 O ATOM 0 H GLU A 43 6.995 -3.945 -6.972 1.00 0.00 H new ATOM 0 HA GLU A 43 4.728 -3.161 -8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.292 -5.219 -8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.491 -5.801 -7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.372 -5.984 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.919 -5.032 -9.712 1.00 0.00 H new ATOM 638 N TRP A 44 2.994 -2.659 -6.942 1.00 0.00 N ATOM 639 CA TRP A 44 1.815 -2.378 -6.123 1.00 0.00 C ATOM 640 C TRP A 44 0.667 -3.322 -6.522 1.00 0.00 C ATOM 641 O TRP A 44 0.030 -3.058 -7.547 1.00 0.00 O ATOM 642 CB TRP A 44 1.370 -0.913 -6.352 1.00 0.00 C ATOM 643 CG TRP A 44 2.256 0.189 -5.856 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.382 0.638 -6.452 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.058 1.057 -4.702 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.943 1.645 -5.693 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.174 1.934 -4.589 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.035 1.199 -3.745 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.304 2.852 -3.537 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.136 2.139 -2.705 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.279 2.939 -2.579 1.00 0.00 C ATOM 0 H TRP A 44 3.060 -2.045 -7.754 1.00 0.00 H new ATOM 0 HA TRP A 44 2.062 -2.531 -5.072 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.234 -0.772 -7.424 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.392 -0.787 -5.887 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.783 0.265 -7.383 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.818 2.116 -5.922 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.157 0.574 -3.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.178 3.482 -3.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.327 2.245 -1.998 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.373 3.621 -1.747 1.00 0.00 H new ATOM 662 N THR A 45 0.343 -4.360 -5.742 1.00 0.00 N ATOM 663 CA THR A 45 -0.748 -5.291 -6.065 1.00 0.00 C ATOM 664 C THR A 45 -1.803 -5.298 -4.955 1.00 0.00 C ATOM 665 O THR A 45 -1.487 -5.512 -3.777 1.00 0.00 O ATOM 666 CB THR A 45 -0.223 -6.715 -6.300 1.00 0.00 C ATOM 667 OG1 THR A 45 1.023 -6.739 -6.964 1.00 0.00 O ATOM 668 CG2 THR A 45 -1.209 -7.555 -7.120 1.00 0.00 C ATOM 0 H THR A 45 0.827 -4.579 -4.871 1.00 0.00 H new ATOM 0 HA THR A 45 -1.209 -4.942 -6.989 1.00 0.00 H new ATOM 0 HB THR A 45 -0.103 -7.139 -5.303 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.311 -7.668 -7.086 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.802 -8.556 -7.265 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.158 -7.623 -6.589 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.369 -7.084 -8.090 1.00 0.00 H new ATOM 676 N TYR A 46 -3.059 -5.042 -5.322 1.00 0.00 N ATOM 677 CA TYR A 46 -4.196 -5.020 -4.412 1.00 0.00 C ATOM 678 C TYR A 46 -4.843 -6.404 -4.347 1.00 0.00 C ATOM 679 O TYR A 46 -4.839 -7.135 -5.336 1.00 0.00 O ATOM 680 CB TYR A 46 -5.207 -3.956 -4.857 1.00 0.00 C ATOM 681 CG TYR A 46 -5.883 -4.202 -6.191 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.280 -3.789 -7.398 1.00 0.00 C ATOM 683 CD2 TYR A 46 -7.137 -4.836 -6.216 1.00 0.00 C ATOM 684 CE1 TYR A 46 -5.935 -4.008 -8.626 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.798 -5.042 -7.434 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.200 -4.639 -8.646 1.00 0.00 C ATOM 687 OH TYR A 46 -7.928 -4.740 -9.792 1.00 0.00 O ATOM 0 H TYR A 46 -3.317 -4.839 -6.288 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.850 -4.760 -3.412 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.978 -3.872 -4.091 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.697 -2.994 -4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.315 -3.304 -7.380 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.592 -5.165 -5.294 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.472 -3.695 -9.550 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.770 -5.512 -7.445 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.769 -5.207 -9.605 1.00 0.00 H new ATOM 697 N ASP A 47 -5.411 -6.741 -3.192 1.00 0.00 N ATOM 698 CA ASP A 47 -6.093 -7.993 -2.894 1.00 0.00 C ATOM 699 C ASP A 47 -7.376 -7.625 -2.158 1.00 0.00 C ATOM 700 O ASP A 47 -7.385 -7.427 -0.940 1.00 0.00 O ATOM 701 CB ASP A 47 -5.184 -8.909 -2.057 1.00 0.00 C ATOM 702 CG ASP A 47 -5.870 -10.161 -1.487 1.00 0.00 C ATOM 703 OD1 ASP A 47 -7.062 -10.424 -1.766 1.00 0.00 O ATOM 704 OD2 ASP A 47 -5.210 -10.909 -0.724 1.00 0.00 O ATOM 0 H ASP A 47 -5.406 -6.108 -2.392 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.333 -8.550 -3.800 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.343 -9.224 -2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.773 -8.330 -1.230 1.00 0.00 H new ATOM 709 N ASP A 48 -8.471 -7.461 -2.901 1.00 0.00 N ATOM 710 CA ASP A 48 -9.776 -7.116 -2.338 1.00 0.00 C ATOM 711 C ASP A 48 -10.353 -8.249 -1.483 1.00 0.00 C ATOM 712 O ASP A 48 -11.227 -7.983 -0.654 1.00 0.00 O ATOM 713 CB ASP A 48 -10.788 -6.693 -3.423 1.00 0.00 C ATOM 714 CG ASP A 48 -11.538 -7.850 -4.095 1.00 0.00 C ATOM 715 OD1 ASP A 48 -12.437 -8.456 -3.469 1.00 0.00 O ATOM 716 OD2 ASP A 48 -11.234 -8.158 -5.271 1.00 0.00 O ATOM 0 H ASP A 48 -8.477 -7.564 -3.916 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.604 -6.257 -1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.518 -6.018 -2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.260 -6.127 -4.191 1.00 0.00 H new ATOM 721 N ALA A 49 -9.905 -9.495 -1.669 1.00 0.00 N ATOM 722 CA ALA A 49 -10.400 -10.624 -0.900 1.00 0.00 C ATOM 723 C ALA A 49 -9.884 -10.528 0.529 1.00 0.00 C ATOM 724 O ALA A 49 -10.666 -10.661 1.469 1.00 0.00 O ATOM 725 CB ALA A 49 -10.003 -11.949 -1.555 1.00 0.00 C ATOM 0 H ALA A 49 -9.192 -9.741 -2.356 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.489 -10.594 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.386 -12.778 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.424 -11.999 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.917 -12.015 -1.613 1.00 0.00 H new ATOM 731 N THR A 50 -8.583 -10.314 0.718 1.00 0.00 N ATOM 732 CA THR A 50 -7.988 -10.191 2.050 1.00 0.00 C ATOM 733 C THR A 50 -8.008 -8.723 2.528 1.00 0.00 C ATOM 734 O THR A 50 -7.852 -8.456 3.722 1.00 0.00 O ATOM 735 CB THR A 50 -6.559 -10.763 2.023 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.487 -11.976 1.287 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.983 -11.005 3.419 1.00 0.00 C ATOM 0 H THR A 50 -7.912 -10.221 -0.045 1.00 0.00 H new ATOM 0 HA THR A 50 -8.577 -10.765 2.765 1.00 0.00 H new ATOM 0 HB THR A 50 -5.960 -9.997 1.530 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.889 -11.858 0.520 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.974 -11.408 3.331 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.951 -10.064 3.968 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.613 -11.716 3.954 1.00 0.00 H new ATOM 745 N LYS A 51 -8.332 -7.771 1.643 1.00 0.00 N ATOM 746 CA LYS A 51 -8.382 -6.325 1.877 1.00 0.00 C ATOM 747 C LYS A 51 -6.998 -5.833 2.298 1.00 0.00 C ATOM 748 O LYS A 51 -6.818 -5.165 3.323 1.00 0.00 O ATOM 749 CB LYS A 51 -9.526 -5.919 2.814 1.00 0.00 C ATOM 750 CG LYS A 51 -10.894 -6.073 2.152 1.00 0.00 C ATOM 751 CD LYS A 51 -11.942 -5.463 3.083 1.00 0.00 C ATOM 752 CE LYS A 51 -13.324 -5.328 2.446 1.00 0.00 C ATOM 753 NZ LYS A 51 -13.963 -6.626 2.148 1.00 0.00 N ATOM 0 H LYS A 51 -8.582 -8.008 0.683 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.630 -5.813 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.489 -6.530 3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.389 -4.883 3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.907 -5.572 1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.113 -7.125 1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.023 -6.079 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.602 -4.478 3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.970 -4.759 3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.236 -4.755 1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.896 -6.463 1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.366 -7.163 1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.077 -7.167 3.029 1.00 0.00 H new ATOM 767 N THR A 52 -6.021 -6.147 1.466 1.00 0.00 N ATOM 768 CA THR A 52 -4.614 -5.827 1.610 1.00 0.00 C ATOM 769 C THR A 52 -4.135 -5.231 0.288 1.00 0.00 C ATOM 770 O THR A 52 -4.747 -5.438 -0.762 1.00 0.00 O ATOM 771 CB THR A 52 -3.839 -7.106 1.997 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.416 -8.238 1.388 1.00 0.00 O ATOM 773 CG2 THR A 52 -3.896 -7.373 3.503 1.00 0.00 C ATOM 0 H THR A 52 -6.205 -6.670 0.610 1.00 0.00 H new ATOM 0 HA THR A 52 -4.442 -5.098 2.402 1.00 0.00 H new ATOM 0 HB THR A 52 -2.812 -6.944 1.671 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.912 -9.039 1.642 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.339 -8.281 3.733 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.456 -6.532 4.039 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.934 -7.496 3.812 1.00 0.00 H new ATOM 781 N PHE A 53 -3.086 -4.419 0.338 1.00 0.00 N ATOM 782 CA PHE A 53 -2.493 -3.792 -0.826 1.00 0.00 C ATOM 783 C PHE A 53 -1.005 -3.806 -0.498 1.00 0.00 C ATOM 784 O PHE A 53 -0.533 -3.017 0.324 1.00 0.00 O ATOM 785 CB PHE A 53 -3.126 -2.410 -1.059 1.00 0.00 C ATOM 786 CG PHE A 53 -3.151 -1.924 -2.498 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.149 -2.283 -3.423 1.00 0.00 C ATOM 788 CD2 PHE A 53 -4.167 -1.032 -2.897 1.00 0.00 C ATOM 789 CE1 PHE A 53 -2.162 -1.755 -4.724 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.156 -0.491 -4.193 1.00 0.00 C ATOM 791 CZ PHE A 53 -3.157 -0.848 -5.108 1.00 0.00 C ATOM 0 H PHE A 53 -2.617 -4.176 1.211 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.664 -4.294 -1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.150 -2.434 -0.686 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.585 -1.679 -0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.367 -2.968 -3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.953 -0.765 -2.207 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.401 -2.050 -5.432 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.926 0.207 -4.487 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.154 -0.427 -6.102 1.00 0.00 H new ATOM 801 N THR A 54 -0.273 -4.730 -1.106 1.00 0.00 N ATOM 802 CA THR A 54 1.145 -4.914 -0.859 1.00 0.00 C ATOM 803 C THR A 54 2.033 -4.390 -1.984 1.00 0.00 C ATOM 804 O THR A 54 1.713 -4.557 -3.162 1.00 0.00 O ATOM 805 CB THR A 54 1.397 -6.404 -0.580 1.00 0.00 C ATOM 806 OG1 THR A 54 0.454 -6.898 0.360 1.00 0.00 O ATOM 807 CG2 THR A 54 2.805 -6.661 -0.034 1.00 0.00 C ATOM 0 H THR A 54 -0.655 -5.380 -1.793 1.00 0.00 H new ATOM 0 HA THR A 54 1.422 -4.316 0.010 1.00 0.00 H new ATOM 0 HB THR A 54 1.293 -6.921 -1.534 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.625 -7.848 0.527 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.936 -7.728 0.148 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.544 -6.323 -0.760 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.938 -6.115 0.900 1.00 0.00 H new ATOM 815 N VAL A 55 3.109 -3.700 -1.604 1.00 0.00 N ATOM 816 CA VAL A 55 4.117 -3.162 -2.508 1.00 0.00 C ATOM 817 C VAL A 55 5.266 -4.149 -2.313 1.00 0.00 C ATOM 818 O VAL A 55 5.963 -4.065 -1.299 1.00 0.00 O ATOM 819 CB VAL A 55 4.512 -1.707 -2.172 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.392 -1.117 -3.285 1.00 0.00 C ATOM 821 CG2 VAL A 55 3.276 -0.819 -1.987 1.00 0.00 C ATOM 0 H VAL A 55 3.306 -3.495 -0.624 1.00 0.00 H new ATOM 0 HA VAL A 55 3.779 -3.083 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 55 5.070 -1.731 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.661 -0.092 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.298 -1.715 -3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.843 -1.126 -4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.590 0.198 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.691 -0.814 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.667 -1.208 -1.171 1.00 0.00 H new ATOM 831 N THR A 56 5.384 -5.143 -3.191 1.00 0.00 N ATOM 832 CA THR A 56 6.426 -6.162 -3.110 1.00 0.00 C ATOM 833 C THR A 56 7.551 -5.744 -4.039 1.00 0.00 C ATOM 834 O THR A 56 7.535 -6.048 -5.234 1.00 0.00 O ATOM 835 CB THR A 56 5.883 -7.565 -3.430 1.00 0.00 C ATOM 836 OG1 THR A 56 4.619 -7.731 -2.826 1.00 0.00 O ATOM 837 CG2 THR A 56 6.802 -8.675 -2.921 1.00 0.00 C ATOM 0 H THR A 56 4.754 -5.264 -3.984 1.00 0.00 H new ATOM 0 HA THR A 56 6.805 -6.233 -2.091 1.00 0.00 H new ATOM 0 HB THR A 56 5.818 -7.641 -4.515 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.273 -8.624 -3.032 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.374 -9.645 -3.172 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.782 -8.579 -3.388 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.906 -8.593 -1.839 1.00 0.00 H new ATOM 845 N GLU A 57 8.486 -4.959 -3.516 1.00 0.00 N ATOM 846 CA GLU A 57 9.610 -4.516 -4.307 1.00 0.00 C ATOM 847 C GLU A 57 10.603 -5.670 -4.427 1.00 0.00 C ATOM 848 O GLU A 57 10.945 -6.308 -3.405 1.00 0.00 O ATOM 849 CB GLU A 57 10.213 -3.250 -3.683 1.00 0.00 C ATOM 850 CG GLU A 57 11.145 -2.615 -4.712 1.00 0.00 C ATOM 851 CD GLU A 57 12.038 -1.485 -4.203 1.00 0.00 C ATOM 852 OE1 GLU A 57 11.747 -0.765 -3.212 1.00 0.00 O ATOM 853 OE2 GLU A 57 13.147 -1.403 -4.771 1.00 0.00 O ATOM 0 H GLU A 57 8.482 -4.622 -2.553 1.00 0.00 H new ATOM 0 HA GLU A 57 9.305 -4.242 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.425 -2.552 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.761 -3.497 -2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.783 -3.396 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.539 -2.230 -5.532 1.00 0.00 H new TER 860 GLU A 57