USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 426 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 9 ASN :FLIP amide:sc= 0.723 F(o=-1.6,f=0.89) USER MOD Set 1.2: A 56 THR OG1 : rot -80:sc= 0.17 USER MOD Set 2.1: A 50 THR OG1 : rot -104:sc= 1.15 USER MOD Set 2.2: A 52 THR OG1 : rot 66:sc= 0.326 USER MOD Single : A 2 THR OG1 : rot 36:sc= 0.311 USER MOD Single : A 3 THR OG1 : 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -8:sc= 1.68 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= -0.0288 X(o=-0.029,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.243 USER MOD Single : A 36 ASN : amide:sc= -0.476 X(o=-0.48,f=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0341 F(o=-0.55,f=-0.034) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 46 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -34:sc= 0.498 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -1.857 -12.652 5.259 1.00 0.00 N ATOM 21 CA THR A 2 -2.406 -11.551 4.412 1.00 0.00 C ATOM 22 C THR A 2 -1.588 -10.268 4.601 1.00 0.00 C ATOM 23 O THR A 2 -2.084 -9.175 4.403 1.00 0.00 O ATOM 24 CB THR A 2 -3.839 -11.348 4.909 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.536 -12.586 4.851 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.550 -10.318 4.029 1.00 0.00 C ATOM 0 HA THR A 2 -2.369 -11.794 3.350 1.00 0.00 H new ATOM 0 HB THR A 2 -3.819 -10.987 5.937 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.921 -13.318 5.068 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.570 -10.176 4.386 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.015 -9.370 4.074 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.572 -10.673 2.999 1.00 0.00 H new ATOM 34 N THR A 3 -0.339 -10.395 4.978 1.00 0.00 N ATOM 35 CA THR A 3 0.512 -9.181 5.175 1.00 0.00 C ATOM 36 C THR A 3 0.808 -8.525 3.826 1.00 0.00 C ATOM 37 O THR A 3 1.631 -8.998 3.065 1.00 0.00 O ATOM 38 CB THR A 3 1.804 -9.687 5.817 1.00 0.00 C ATOM 39 OG1 THR A 3 1.490 -10.445 6.977 1.00 0.00 O ATOM 40 CG2 THR A 3 2.685 -8.497 6.206 1.00 0.00 C ATOM 0 H THR A 3 0.127 -11.285 5.157 1.00 0.00 H new ATOM 0 HA THR A 3 0.020 -8.433 5.797 1.00 0.00 H new ATOM 0 HB THR A 3 2.340 -10.315 5.106 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.317 -10.771 7.388 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.605 -8.860 6.663 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.927 -7.917 5.315 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.151 -7.866 6.916 1.00 0.00 H new ATOM 48 N PHE A 4 0.140 -7.441 3.527 1.00 0.00 N ATOM 49 CA PHE A 4 0.375 -6.748 2.227 1.00 0.00 C ATOM 50 C PHE A 4 1.593 -5.829 2.328 1.00 0.00 C ATOM 51 O PHE A 4 1.896 -5.301 3.381 1.00 0.00 O ATOM 52 CB PHE A 4 -0.895 -5.933 1.977 1.00 0.00 C ATOM 53 CG PHE A 4 -2.033 -6.872 1.665 1.00 0.00 C ATOM 54 CD1 PHE A 4 -2.047 -7.576 0.455 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.071 -7.047 2.588 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.098 -8.455 0.168 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.123 -7.923 2.300 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.135 -8.629 1.090 1.00 0.00 C ATOM 0 H PHE A 4 -0.559 -7.006 4.129 1.00 0.00 H new ATOM 0 HA PHE A 4 0.575 -7.449 1.417 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.134 -5.331 2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.741 -5.242 1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.247 -7.441 -0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.060 -6.506 3.522 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.108 -8.999 -0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.926 -8.055 3.010 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.945 -9.308 0.869 1.00 0.00 H new ATOM 68 N LYS A 5 2.288 -5.638 1.239 1.00 0.00 N ATOM 69 CA LYS A 5 3.489 -4.753 1.252 1.00 0.00 C ATOM 70 C LYS A 5 3.283 -3.589 0.282 1.00 0.00 C ATOM 71 O LYS A 5 2.260 -3.492 -0.370 1.00 0.00 O ATOM 72 CB LYS A 5 4.645 -5.643 0.792 1.00 0.00 C ATOM 73 CG LYS A 5 4.856 -6.773 1.805 1.00 0.00 C ATOM 74 CD LYS A 5 5.240 -8.057 1.067 1.00 0.00 C ATOM 75 CE LYS A 5 4.927 -9.269 1.947 1.00 0.00 C ATOM 76 NZ LYS A 5 6.002 -10.252 1.640 1.00 0.00 N ATOM 0 H LYS A 5 2.074 -6.060 0.335 1.00 0.00 H new ATOM 0 HA LYS A 5 3.681 -4.322 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.428 -6.059 -0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.556 -5.052 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.639 -6.500 2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.946 -6.932 2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.692 -8.126 0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.301 -8.041 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.927 -9.001 3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.942 -9.677 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.857 -11.113 2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.973 -10.493 0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.928 -9.838 1.871 1.00 0.00 H new ATOM 90 N LEU A 6 4.242 -2.705 0.183 1.00 0.00 N ATOM 91 CA LEU A 6 4.099 -1.546 -0.745 1.00 0.00 C ATOM 92 C LEU A 6 5.479 -1.028 -1.158 1.00 0.00 C ATOM 93 O LEU A 6 6.211 -0.477 -0.358 1.00 0.00 O ATOM 94 CB LEU A 6 3.336 -0.490 0.059 1.00 0.00 C ATOM 95 CG LEU A 6 3.160 0.783 -0.777 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.158 0.527 -1.902 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.642 1.911 0.117 1.00 0.00 C ATOM 0 H LEU A 6 5.118 -2.737 0.705 1.00 0.00 H new ATOM 0 HA LEU A 6 3.576 -1.809 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.361 -0.879 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.877 -0.260 0.977 1.00 0.00 H new ATOM 0 HG LEU A 6 4.120 1.067 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.036 1.434 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.525 -0.276 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.197 0.240 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.516 2.817 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.683 1.623 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.357 2.098 0.918 1.00 0.00 H new ATOM 109 N ILE A 7 5.822 -1.185 -2.407 1.00 0.00 N ATOM 110 CA ILE A 7 7.138 -0.693 -2.897 1.00 0.00 C ATOM 111 C ILE A 7 7.007 0.792 -3.213 1.00 0.00 C ATOM 112 O ILE A 7 6.250 1.178 -4.086 1.00 0.00 O ATOM 113 CB ILE A 7 7.416 -1.503 -4.167 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.518 -2.989 -3.808 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.729 -1.041 -4.801 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.596 -3.821 -5.089 1.00 0.00 C ATOM 0 H ILE A 7 5.241 -1.637 -3.114 1.00 0.00 H new ATOM 0 HA ILE A 7 7.945 -0.811 -2.174 1.00 0.00 H new ATOM 0 HB ILE A 7 6.603 -1.351 -4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.401 -3.165 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.653 -3.291 -3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.921 -1.621 -5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.657 0.016 -5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.546 -1.188 -4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.669 -4.878 -4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.700 -3.653 -5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.475 -3.525 -5.662 1.00 0.00 H new ATOM 128 N ILE A 8 7.718 1.631 -2.505 1.00 0.00 N ATOM 129 CA ILE A 8 7.602 3.093 -2.773 1.00 0.00 C ATOM 130 C ILE A 8 8.705 3.532 -3.740 1.00 0.00 C ATOM 131 O ILE A 8 9.879 3.399 -3.447 1.00 0.00 O ATOM 132 CB ILE A 8 7.763 3.846 -1.439 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.077 3.106 -0.258 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.160 5.248 -1.608 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.552 3.263 -0.297 1.00 0.00 C ATOM 0 H ILE A 8 8.366 1.370 -1.762 1.00 0.00 H new ATOM 0 HA ILE A 8 6.632 3.313 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 8 8.824 3.905 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.335 2.047 -0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.459 3.495 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.262 5.803 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.685 5.777 -2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.104 5.161 -1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.110 2.731 0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.293 4.320 -0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.167 2.850 -1.229 1.00 0.00 H new ATOM 147 N ASN A 9 8.342 4.058 -4.881 1.00 0.00 N ATOM 148 CA ASN A 9 9.373 4.514 -5.860 1.00 0.00 C ATOM 149 C ASN A 9 9.244 6.027 -6.082 1.00 0.00 C ATOM 150 O ASN A 9 8.782 6.475 -7.114 1.00 0.00 O ATOM 151 CB ASN A 9 9.075 3.729 -7.146 1.00 0.00 C ATOM 152 CG ASN A 9 9.969 4.222 -8.293 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.440 4.910 -9.270 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 11.159 3.979 -8.296 1.00 0.00 N flip ATOM 0 H ASN A 9 7.375 4.192 -5.177 1.00 0.00 H new ATOM 0 HA ASN A 9 10.392 4.336 -5.517 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.242 2.665 -6.977 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.026 3.848 -7.417 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.572 3.442 -7.533 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.746 4.312 -9.061 1.00 0.00 H new ATOM 161 N GLY A 10 9.652 6.809 -5.116 1.00 0.00 N ATOM 162 CA GLY A 10 9.564 8.292 -5.254 1.00 0.00 C ATOM 163 C GLY A 10 10.819 8.933 -4.659 1.00 0.00 C ATOM 164 O GLY A 10 11.889 8.872 -5.237 1.00 0.00 O ATOM 0 H GLY A 10 10.044 6.481 -4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.466 8.565 -6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.676 8.664 -4.744 1.00 0.00 H new ATOM 168 N LYS A 11 10.696 9.544 -3.508 1.00 0.00 N ATOM 169 CA LYS A 11 11.884 10.190 -2.868 1.00 0.00 C ATOM 170 C LYS A 11 11.754 10.169 -1.338 1.00 0.00 C ATOM 171 O LYS A 11 12.715 9.919 -0.634 1.00 0.00 O ATOM 172 CB LYS A 11 11.900 11.629 -3.399 1.00 0.00 C ATOM 173 CG LYS A 11 10.596 12.343 -3.027 1.00 0.00 C ATOM 174 CD LYS A 11 10.542 13.709 -3.721 1.00 0.00 C ATOM 175 CE LYS A 11 9.944 14.747 -2.767 1.00 0.00 C ATOM 176 NZ LYS A 11 11.117 15.364 -2.086 1.00 0.00 N ATOM 0 H LYS A 11 9.825 9.624 -2.983 1.00 0.00 H new ATOM 0 HA LYS A 11 12.809 9.665 -3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.751 12.169 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.025 11.624 -4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.740 11.738 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.535 12.470 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.544 14.014 -4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.940 13.644 -4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.364 15.494 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.270 14.281 -2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.788 16.087 -1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.646 14.630 -1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.737 15.806 -2.795 1.00 0.00 H new ATOM 190 N THR A 12 10.577 10.427 -0.821 1.00 0.00 N ATOM 191 CA THR A 12 10.390 10.419 0.664 1.00 0.00 C ATOM 192 C THR A 12 10.453 8.985 1.196 1.00 0.00 C ATOM 193 O THR A 12 10.842 8.749 2.324 1.00 0.00 O ATOM 194 CB THR A 12 8.999 11.018 0.899 1.00 0.00 C ATOM 195 OG1 THR A 12 8.821 12.142 0.049 1.00 0.00 O ATOM 196 CG2 THR A 12 8.857 11.455 2.363 1.00 0.00 C ATOM 0 H THR A 12 9.739 10.642 -1.362 1.00 0.00 H new ATOM 0 HA THR A 12 11.167 10.985 1.178 1.00 0.00 H new ATOM 0 HB THR A 12 8.242 10.266 0.677 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.931 12.526 0.196 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.866 11.880 2.521 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.990 10.592 3.015 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.614 12.205 2.594 1.00 0.00 H new ATOM 204 N LEU A 13 10.073 8.027 0.388 1.00 0.00 N ATOM 205 CA LEU A 13 10.108 6.603 0.836 1.00 0.00 C ATOM 206 C LEU A 13 10.866 5.746 -0.182 1.00 0.00 C ATOM 207 O LEU A 13 11.191 6.196 -1.264 1.00 0.00 O ATOM 208 CB LEU A 13 8.642 6.172 0.903 1.00 0.00 C ATOM 209 CG LEU A 13 8.147 6.224 2.349 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.631 6.020 2.373 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.818 5.115 3.162 1.00 0.00 C ATOM 0 H LEU A 13 9.739 8.171 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 13 10.615 6.486 1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.033 6.825 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.533 5.162 0.509 1.00 0.00 H new ATOM 0 HG LEU A 13 8.395 7.193 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.275 6.057 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.149 6.808 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.387 5.050 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.464 5.154 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.570 4.146 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.899 5.254 3.144 1.00 0.00 H new ATOM 223 N LYS A 14 11.142 4.510 0.157 1.00 0.00 N ATOM 224 CA LYS A 14 11.871 3.605 -0.780 1.00 0.00 C ATOM 225 C LYS A 14 11.961 2.193 -0.189 1.00 0.00 C ATOM 226 O LYS A 14 13.005 1.774 0.277 1.00 0.00 O ATOM 227 CB LYS A 14 13.275 4.212 -0.944 1.00 0.00 C ATOM 228 CG LYS A 14 13.959 4.342 0.427 1.00 0.00 C ATOM 229 CD LYS A 14 14.366 5.799 0.672 1.00 0.00 C ATOM 230 CE LYS A 14 15.442 6.205 -0.336 1.00 0.00 C ATOM 231 NZ LYS A 14 15.482 7.692 -0.277 1.00 0.00 N ATOM 0 H LYS A 14 10.890 4.088 1.051 1.00 0.00 H new ATOM 0 HA LYS A 14 11.360 3.520 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.877 3.584 -1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.203 5.191 -1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.283 4.007 1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.838 3.698 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.498 6.451 0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.742 5.917 1.688 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.409 5.773 -0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.196 5.856 -1.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.198 8.047 -0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.550 8.075 -0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.726 7.995 0.688 1.00 0.00 H new ATOM 245 N GLY A 15 10.877 1.458 -0.210 1.00 0.00 N ATOM 246 CA GLY A 15 10.900 0.071 0.347 1.00 0.00 C ATOM 247 C GLY A 15 9.481 -0.370 0.713 1.00 0.00 C ATOM 248 O GLY A 15 8.510 0.272 0.360 1.00 0.00 O ATOM 0 H GLY A 15 9.979 1.758 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.326 -0.616 -0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.540 0.035 1.229 1.00 0.00 H new ATOM 252 N GLU A 16 9.360 -1.468 1.417 1.00 0.00 N ATOM 253 CA GLU A 16 8.010 -1.970 1.815 1.00 0.00 C ATOM 254 C GLU A 16 7.911 -2.067 3.339 1.00 0.00 C ATOM 255 O GLU A 16 8.817 -2.540 4.000 1.00 0.00 O ATOM 256 CB GLU A 16 7.905 -3.358 1.182 1.00 0.00 C ATOM 257 CG GLU A 16 7.815 -3.220 -0.340 1.00 0.00 C ATOM 258 CD GLU A 16 8.484 -4.426 -1.002 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.694 -4.538 -0.898 1.00 0.00 O ATOM 260 OE2 GLU A 16 7.775 -5.217 -1.601 1.00 0.00 O ATOM 0 H GLU A 16 10.142 -2.040 1.734 1.00 0.00 H new ATOM 0 HA GLU A 16 7.208 -1.309 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.773 -3.959 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.026 -3.878 1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.772 -3.154 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.301 -2.299 -0.662 1.00 0.00 H new ATOM 267 N ILE A 17 6.815 -1.624 3.899 1.00 0.00 N ATOM 268 CA ILE A 17 6.645 -1.687 5.383 1.00 0.00 C ATOM 269 C ILE A 17 5.903 -2.972 5.796 1.00 0.00 C ATOM 270 O ILE A 17 5.917 -3.343 6.948 1.00 0.00 O ATOM 271 CB ILE A 17 5.834 -0.436 5.749 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.629 -0.384 7.265 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.469 -0.465 5.052 1.00 0.00 C ATOM 274 CD1 ILE A 17 5.172 1.019 7.671 1.00 0.00 C ATOM 0 H ILE A 17 6.028 -1.220 3.392 1.00 0.00 H new ATOM 0 HA ILE A 17 7.603 -1.711 5.902 1.00 0.00 H new ATOM 0 HB ILE A 17 6.382 0.447 5.421 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.886 -1.122 7.568 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.557 -0.638 7.777 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.904 0.428 5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.613 -0.493 3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.918 -1.351 5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.026 1.056 8.751 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.931 1.747 7.382 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.233 1.255 7.170 1.00 0.00 H new ATOM 286 N THR A 18 5.263 -3.640 4.859 1.00 0.00 N ATOM 287 CA THR A 18 4.511 -4.909 5.165 1.00 0.00 C ATOM 288 C THR A 18 3.491 -4.688 6.289 1.00 0.00 C ATOM 289 O THR A 18 3.841 -4.504 7.439 1.00 0.00 O ATOM 290 CB THR A 18 5.554 -5.973 5.578 1.00 0.00 C ATOM 291 OG1 THR A 18 5.968 -5.754 6.917 1.00 0.00 O ATOM 292 CG2 THR A 18 6.775 -5.932 4.647 1.00 0.00 C ATOM 0 H THR A 18 5.229 -3.356 3.880 1.00 0.00 H new ATOM 0 HA THR A 18 3.952 -5.237 4.289 1.00 0.00 H new ATOM 0 HB THR A 18 5.088 -6.955 5.498 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.594 -4.908 7.241 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.495 -6.689 4.957 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.459 -6.130 3.623 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.239 -4.947 4.699 1.00 0.00 H new ATOM 300 N ILE A 19 2.223 -4.721 5.959 1.00 0.00 N ATOM 301 CA ILE A 19 1.167 -4.522 7.000 1.00 0.00 C ATOM 302 C ILE A 19 0.022 -5.522 6.798 1.00 0.00 C ATOM 303 O ILE A 19 -0.403 -5.774 5.686 1.00 0.00 O ATOM 304 CB ILE A 19 0.672 -3.079 6.818 1.00 0.00 C ATOM 305 CG1 ILE A 19 0.075 -2.895 5.413 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.845 -2.111 7.000 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.451 -3.019 5.484 1.00 0.00 C ATOM 0 H ILE A 19 1.874 -4.877 5.014 1.00 0.00 H new ATOM 0 HA ILE A 19 1.553 -4.686 8.006 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.098 -2.873 7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.353 -1.920 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.480 -3.645 4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.495 -1.087 6.871 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.262 -2.229 8.000 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.614 -2.328 6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.873 -2.888 4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.719 -4.004 5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.848 -2.252 6.150 1.00 0.00 H new ATOM 319 N GLU A 20 -0.476 -6.088 7.868 1.00 0.00 N ATOM 320 CA GLU A 20 -1.595 -7.070 7.753 1.00 0.00 C ATOM 321 C GLU A 20 -2.938 -6.336 7.705 1.00 0.00 C ATOM 322 O GLU A 20 -3.057 -5.218 8.170 1.00 0.00 O ATOM 323 CB GLU A 20 -1.497 -7.930 9.013 1.00 0.00 C ATOM 324 CG GLU A 20 -2.292 -9.220 8.814 1.00 0.00 C ATOM 325 CD GLU A 20 -1.733 -10.312 9.728 1.00 0.00 C ATOM 326 OE1 GLU A 20 -0.525 -10.484 9.742 1.00 0.00 O ATOM 327 OE2 GLU A 20 -2.522 -10.956 10.400 1.00 0.00 O ATOM 0 H GLU A 20 -0.154 -5.911 8.820 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.529 -7.669 6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.454 -8.163 9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.884 -7.381 9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.345 -9.048 9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.234 -9.538 7.773 1.00 0.00 H new ATOM 334 N ALA A 21 -3.945 -6.957 7.144 1.00 0.00 N ATOM 335 CA ALA A 21 -5.283 -6.299 7.061 1.00 0.00 C ATOM 336 C ALA A 21 -6.358 -7.324 6.689 1.00 0.00 C ATOM 337 O ALA A 21 -6.060 -8.441 6.314 1.00 0.00 O ATOM 338 CB ALA A 21 -5.136 -5.250 5.958 1.00 0.00 C ATOM 0 H ALA A 21 -3.897 -7.892 6.740 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.586 -5.856 8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.080 -4.719 5.833 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.354 -4.541 6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.869 -5.741 5.022 1.00 0.00 H new ATOM 344 N VAL A 22 -7.611 -6.947 6.794 1.00 0.00 N ATOM 345 CA VAL A 22 -8.721 -7.890 6.451 1.00 0.00 C ATOM 346 C VAL A 22 -8.547 -8.424 5.022 1.00 0.00 C ATOM 347 O VAL A 22 -8.799 -9.580 4.742 1.00 0.00 O ATOM 348 CB VAL A 22 -10.006 -7.056 6.575 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.968 -5.887 5.584 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.225 -7.935 6.278 1.00 0.00 C ATOM 0 H VAL A 22 -7.912 -6.023 7.104 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.741 -8.761 7.106 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.078 -6.666 7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.882 -5.301 5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.107 -5.254 5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.888 -6.274 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.133 -7.339 6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.149 -8.332 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.261 -8.760 6.990 1.00 0.00 H new ATOM 360 N ASP A 23 -8.112 -7.579 4.125 1.00 0.00 N ATOM 361 CA ASP A 23 -7.907 -8.009 2.712 1.00 0.00 C ATOM 362 C ASP A 23 -6.992 -7.008 2.007 1.00 0.00 C ATOM 363 O ASP A 23 -6.624 -5.996 2.572 1.00 0.00 O ATOM 364 CB ASP A 23 -9.302 -8.000 2.084 1.00 0.00 C ATOM 365 CG ASP A 23 -9.907 -9.403 2.162 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.205 -10.348 1.842 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.061 -9.509 2.542 1.00 0.00 O ATOM 0 H ASP A 23 -7.888 -6.602 4.313 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.441 -8.991 2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.942 -7.287 2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.242 -7.676 1.045 1.00 0.00 H new ATOM 372 N ALA A 24 -6.622 -7.280 0.781 1.00 0.00 N ATOM 373 CA ALA A 24 -5.729 -6.333 0.050 1.00 0.00 C ATOM 374 C ALA A 24 -6.443 -4.994 -0.139 1.00 0.00 C ATOM 375 O ALA A 24 -5.825 -3.946 -0.137 1.00 0.00 O ATOM 376 CB ALA A 24 -5.443 -6.990 -1.302 1.00 0.00 C ATOM 0 H ALA A 24 -6.898 -8.111 0.258 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.806 -6.135 0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.791 -6.344 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.955 -7.951 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.380 -7.143 -1.838 1.00 0.00 H new ATOM 382 N ALA A 25 -7.747 -5.021 -0.289 1.00 0.00 N ATOM 383 CA ALA A 25 -8.516 -3.752 -0.466 1.00 0.00 C ATOM 384 C ALA A 25 -8.239 -2.811 0.708 1.00 0.00 C ATOM 385 O ALA A 25 -7.877 -1.665 0.527 1.00 0.00 O ATOM 386 CB ALA A 25 -9.990 -4.167 -0.485 1.00 0.00 C ATOM 0 H ALA A 25 -8.311 -5.871 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.237 -3.224 -1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.615 -3.283 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.163 -4.856 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.242 -4.657 0.455 1.00 0.00 H new ATOM 392 N GLU A 26 -8.389 -3.305 1.911 1.00 0.00 N ATOM 393 CA GLU A 26 -8.115 -2.461 3.110 1.00 0.00 C ATOM 394 C GLU A 26 -6.635 -2.070 3.122 1.00 0.00 C ATOM 395 O GLU A 26 -6.281 -0.951 3.440 1.00 0.00 O ATOM 396 CB GLU A 26 -8.455 -3.345 4.311 1.00 0.00 C ATOM 397 CG GLU A 26 -8.376 -2.518 5.597 1.00 0.00 C ATOM 398 CD GLU A 26 -9.764 -1.977 5.943 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.658 -2.781 6.149 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.911 -0.766 5.995 1.00 0.00 O ATOM 0 H GLU A 26 -8.690 -4.258 2.113 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.697 -1.539 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.455 -3.763 4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.763 -4.185 4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.000 -3.133 6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.674 -1.694 5.469 1.00 0.00 H new ATOM 407 N ALA A 27 -5.770 -2.988 2.758 1.00 0.00 N ATOM 408 CA ALA A 27 -4.307 -2.677 2.722 1.00 0.00 C ATOM 409 C ALA A 27 -4.056 -1.497 1.780 1.00 0.00 C ATOM 410 O ALA A 27 -3.300 -0.595 2.089 1.00 0.00 O ATOM 411 CB ALA A 27 -3.630 -3.940 2.183 1.00 0.00 C ATOM 0 H ALA A 27 -6.016 -3.939 2.484 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.920 -2.404 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.553 -3.781 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.841 -4.778 2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.013 -4.161 1.187 1.00 0.00 H new ATOM 417 N GLU A 28 -4.707 -1.490 0.638 1.00 0.00 N ATOM 418 CA GLU A 28 -4.527 -0.357 -0.320 1.00 0.00 C ATOM 419 C GLU A 28 -4.949 0.945 0.361 1.00 0.00 C ATOM 420 O GLU A 28 -4.368 1.986 0.135 1.00 0.00 O ATOM 421 CB GLU A 28 -5.435 -0.669 -1.511 1.00 0.00 C ATOM 422 CG GLU A 28 -4.982 0.146 -2.727 1.00 0.00 C ATOM 423 CD GLU A 28 -6.129 0.241 -3.734 1.00 0.00 C ATOM 424 OE1 GLU A 28 -7.068 0.972 -3.466 1.00 0.00 O ATOM 425 OE2 GLU A 28 -6.050 -0.420 -4.757 1.00 0.00 O ATOM 0 H GLU A 28 -5.352 -2.218 0.332 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.492 -0.242 -0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.399 -1.734 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.470 -0.431 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.674 1.144 -2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.115 -0.324 -3.191 1.00 0.00 H new ATOM 432 N LYS A 29 -5.941 0.882 1.218 1.00 0.00 N ATOM 433 CA LYS A 29 -6.379 2.112 1.946 1.00 0.00 C ATOM 434 C LYS A 29 -5.293 2.488 2.953 1.00 0.00 C ATOM 435 O LYS A 29 -4.838 3.617 3.006 1.00 0.00 O ATOM 436 CB LYS A 29 -7.672 1.730 2.674 1.00 0.00 C ATOM 437 CG LYS A 29 -8.718 1.241 1.668 1.00 0.00 C ATOM 438 CD LYS A 29 -9.168 2.403 0.781 1.00 0.00 C ATOM 439 CE LYS A 29 -9.882 3.455 1.634 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.480 4.403 0.653 1.00 0.00 N ATOM 0 H LYS A 29 -6.463 0.035 1.443 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.543 2.960 1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.469 0.950 3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.057 2.590 3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.300 0.444 1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.575 0.821 2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.307 2.848 0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.836 2.040 -0.000 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.648 3.001 2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.185 3.963 2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.988 5.155 1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.726 4.825 0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.144 3.892 0.037 1.00 0.00 H new ATOM 454 N ILE A 30 -4.859 1.531 3.738 1.00 0.00 N ATOM 455 CA ILE A 30 -3.780 1.801 4.739 1.00 0.00 C ATOM 456 C ILE A 30 -2.521 2.264 4.002 1.00 0.00 C ATOM 457 O ILE A 30 -1.782 3.107 4.476 1.00 0.00 O ATOM 458 CB ILE A 30 -3.538 0.458 5.445 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.811 0.028 6.180 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.396 0.602 6.458 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.620 -1.376 6.764 1.00 0.00 C ATOM 0 H ILE A 30 -5.207 0.572 3.728 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.048 2.579 5.454 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.272 -0.293 4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.039 0.736 6.977 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.658 0.035 5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.229 -0.353 6.956 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.486 0.906 5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.660 1.356 7.199 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.527 -1.679 7.286 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.413 -2.080 5.958 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.784 -1.369 7.463 1.00 0.00 H new ATOM 473 N PHE A 31 -2.286 1.717 2.838 1.00 0.00 N ATOM 474 CA PHE A 31 -1.090 2.118 2.044 1.00 0.00 C ATOM 475 C PHE A 31 -1.352 3.463 1.364 1.00 0.00 C ATOM 476 O PHE A 31 -0.488 4.317 1.308 1.00 0.00 O ATOM 477 CB PHE A 31 -0.913 1.009 1.002 1.00 0.00 C ATOM 478 CG PHE A 31 -0.135 -0.136 1.605 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.097 0.102 2.227 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.645 -1.437 1.537 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.818 -0.960 2.780 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.077 -2.500 2.092 1.00 0.00 C ATOM 483 CZ PHE A 31 1.309 -2.262 2.712 1.00 0.00 C ATOM 0 H PHE A 31 -2.874 1.007 2.402 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.198 2.236 2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.887 0.659 0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.389 1.397 0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.490 1.107 2.279 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.595 -1.621 1.057 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.768 -0.776 3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.317 -3.504 2.042 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.867 -3.083 3.138 1.00 0.00 H new ATOM 493 N LYS A 32 -2.542 3.655 0.851 1.00 0.00 N ATOM 494 CA LYS A 32 -2.878 4.941 0.175 1.00 0.00 C ATOM 495 C LYS A 32 -3.033 6.083 1.194 1.00 0.00 C ATOM 496 O LYS A 32 -3.197 7.229 0.819 1.00 0.00 O ATOM 497 CB LYS A 32 -4.194 4.688 -0.559 1.00 0.00 C ATOM 498 CG LYS A 32 -3.928 3.853 -1.817 1.00 0.00 C ATOM 499 CD LYS A 32 -3.818 4.774 -3.034 1.00 0.00 C ATOM 500 CE LYS A 32 -5.160 5.465 -3.279 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.306 5.511 -4.760 1.00 0.00 N ATOM 0 H LYS A 32 -3.298 2.971 0.873 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.086 5.248 -0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.893 4.166 0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.659 5.636 -0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.008 3.281 -1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.734 3.134 -1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.039 5.519 -2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.528 4.198 -3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.979 4.911 -2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.172 6.467 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.205 5.972 -5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.517 6.050 -5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.298 4.543 -5.140 1.00 0.00 H new ATOM 515 N GLN A 33 -2.925 5.794 2.471 1.00 0.00 N ATOM 516 CA GLN A 33 -2.999 6.878 3.498 1.00 0.00 C ATOM 517 C GLN A 33 -1.569 7.075 3.963 1.00 0.00 C ATOM 518 O GLN A 33 -1.048 8.166 4.044 1.00 0.00 O ATOM 519 CB GLN A 33 -3.879 6.334 4.621 1.00 0.00 C ATOM 520 CG GLN A 33 -5.351 6.522 4.252 1.00 0.00 C ATOM 521 CD GLN A 33 -5.846 7.865 4.793 1.00 0.00 C ATOM 522 OE1 GLN A 33 -6.386 7.933 5.879 1.00 0.00 O ATOM 523 NE2 GLN A 33 -5.684 8.943 4.077 1.00 0.00 N ATOM 0 H GLN A 33 -2.789 4.854 2.844 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.412 7.823 3.145 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.666 5.278 4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.658 6.852 5.554 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.473 6.487 3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.947 5.709 4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.231 8.886 3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.011 9.843 4.429 1.00 0.00 H new ATOM 532 N TYR A 34 -0.921 5.968 4.191 1.00 0.00 N ATOM 533 CA TYR A 34 0.515 5.939 4.571 1.00 0.00 C ATOM 534 C TYR A 34 1.323 6.823 3.589 1.00 0.00 C ATOM 535 O TYR A 34 2.318 7.421 3.946 1.00 0.00 O ATOM 536 CB TYR A 34 0.821 4.440 4.410 1.00 0.00 C ATOM 537 CG TYR A 34 2.303 4.169 4.244 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.215 4.676 5.177 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.758 3.406 3.162 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.583 4.418 5.028 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.126 3.149 3.013 1.00 0.00 C ATOM 542 CZ TYR A 34 5.039 3.655 3.946 1.00 0.00 C ATOM 543 OH TYR A 34 6.388 3.402 3.799 1.00 0.00 O ATOM 0 H TYR A 34 -1.349 5.044 4.126 1.00 0.00 H new ATOM 0 HA TYR A 34 0.760 6.322 5.562 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.451 3.900 5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.284 4.053 3.544 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.864 5.266 6.011 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.054 3.016 2.442 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.287 4.808 5.748 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.477 2.560 2.178 1.00 0.00 H new ATOM 0 HH TYR A 34 6.533 2.858 2.997 1.00 0.00 H new ATOM 553 N ALA A 35 0.864 6.915 2.361 1.00 0.00 N ATOM 554 CA ALA A 35 1.554 7.768 1.346 1.00 0.00 C ATOM 555 C ALA A 35 1.101 9.226 1.528 1.00 0.00 C ATOM 556 O ALA A 35 1.900 10.129 1.681 1.00 0.00 O ATOM 557 CB ALA A 35 1.074 7.247 -0.019 1.00 0.00 C ATOM 0 H ALA A 35 0.034 6.431 2.019 1.00 0.00 H new ATOM 0 HA ALA A 35 2.639 7.729 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.541 7.828 -0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.350 6.198 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.009 7.346 -0.086 1.00 0.00 H new ATOM 563 N ASN A 36 -0.190 9.448 1.489 1.00 0.00 N ATOM 564 CA ASN A 36 -0.740 10.835 1.632 1.00 0.00 C ATOM 565 C ASN A 36 -0.386 11.440 2.992 1.00 0.00 C ATOM 566 O ASN A 36 0.018 12.583 3.081 1.00 0.00 O ATOM 567 CB ASN A 36 -2.253 10.677 1.519 1.00 0.00 C ATOM 568 CG ASN A 36 -2.668 10.734 0.047 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.540 11.496 -0.319 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.077 9.957 -0.819 1.00 0.00 N ATOM 0 H ASN A 36 -0.894 8.721 1.363 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.326 11.501 0.875 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.563 9.729 1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.754 11.467 2.079 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.348 9.990 -1.802 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.344 9.317 -0.513 1.00 0.00 H new ATOM 577 N ASP A 37 -0.556 10.686 4.053 1.00 0.00 N ATOM 578 CA ASP A 37 -0.249 11.206 5.433 1.00 0.00 C ATOM 579 C ASP A 37 1.103 11.922 5.468 1.00 0.00 C ATOM 580 O ASP A 37 1.316 12.842 6.236 1.00 0.00 O ATOM 581 CB ASP A 37 -0.224 9.968 6.331 1.00 0.00 C ATOM 582 CG ASP A 37 -0.366 10.395 7.794 1.00 0.00 C ATOM 583 OD1 ASP A 37 0.411 11.230 8.224 1.00 0.00 O ATOM 584 OD2 ASP A 37 -1.249 9.877 8.458 1.00 0.00 O ATOM 0 H ASP A 37 -0.897 9.725 4.026 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.989 11.937 5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.034 9.292 6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.709 9.422 6.189 1.00 0.00 H new ATOM 589 N ASN A 38 1.998 11.512 4.621 1.00 0.00 N ATOM 590 CA ASN A 38 3.332 12.154 4.555 1.00 0.00 C ATOM 591 C ASN A 38 3.375 13.109 3.359 1.00 0.00 C ATOM 592 O ASN A 38 3.832 14.231 3.458 1.00 0.00 O ATOM 593 CB ASN A 38 4.321 11.004 4.365 1.00 0.00 C ATOM 594 CG ASN A 38 5.679 11.393 4.952 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.333 12.400 4.440 1.00 0.00 O flip ATOM 596 ND2 ASN A 38 6.151 10.774 5.886 1.00 0.00 N flip ATOM 0 H ASN A 38 1.858 10.747 3.961 1.00 0.00 H new ATOM 0 HA ASN A 38 3.565 12.736 5.447 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.947 10.104 4.854 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.425 10.771 3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.640 9.987 6.286 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.058 11.042 6.269 1.00 0.00 H new ATOM 603 N GLY A 39 2.904 12.654 2.230 1.00 0.00 N ATOM 604 CA GLY A 39 2.905 13.496 1.000 1.00 0.00 C ATOM 605 C GLY A 39 3.519 12.669 -0.119 1.00 0.00 C ATOM 606 O GLY A 39 4.592 12.967 -0.609 1.00 0.00 O ATOM 0 H GLY A 39 2.513 11.720 2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.890 13.798 0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.478 14.409 1.161 1.00 0.00 H new ATOM 610 N ILE A 40 2.867 11.596 -0.486 1.00 0.00 N ATOM 611 CA ILE A 40 3.426 10.696 -1.525 1.00 0.00 C ATOM 612 C ILE A 40 2.479 10.618 -2.725 1.00 0.00 C ATOM 613 O ILE A 40 1.285 10.438 -2.574 1.00 0.00 O ATOM 614 CB ILE A 40 3.490 9.361 -0.795 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.400 9.509 0.470 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.958 8.241 -1.742 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.705 8.732 0.342 1.00 0.00 C ATOM 0 H ILE A 40 1.966 11.307 -0.105 1.00 0.00 H new ATOM 0 HA ILE A 40 4.387 11.020 -1.924 1.00 0.00 H new ATOM 0 HB ILE A 40 2.494 9.073 -0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.623 10.564 0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.857 9.159 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.996 7.297 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.260 8.153 -2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.950 8.479 -2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.300 8.868 1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.486 7.673 0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.264 9.099 -0.519 1.00 0.00 H new ATOM 629 N ASP A 41 3.011 10.732 -3.907 1.00 0.00 N ATOM 630 CA ASP A 41 2.161 10.644 -5.129 1.00 0.00 C ATOM 631 C ASP A 41 2.697 9.527 -6.020 1.00 0.00 C ATOM 632 O ASP A 41 3.624 8.831 -5.646 1.00 0.00 O ATOM 633 CB ASP A 41 2.303 12.002 -5.819 1.00 0.00 C ATOM 634 CG ASP A 41 1.240 12.962 -5.281 1.00 0.00 C ATOM 635 OD1 ASP A 41 1.497 13.592 -4.268 1.00 0.00 O ATOM 636 OD2 ASP A 41 0.188 13.052 -5.892 1.00 0.00 O ATOM 0 H ASP A 41 4.004 10.883 -4.083 1.00 0.00 H new ATOM 0 HA ASP A 41 1.117 10.423 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.299 12.409 -5.642 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.192 11.887 -6.897 1.00 0.00 H new ATOM 641 N GLY A 42 2.142 9.354 -7.192 1.00 0.00 N ATOM 642 CA GLY A 42 2.651 8.286 -8.095 1.00 0.00 C ATOM 643 C GLY A 42 1.529 7.374 -8.580 1.00 0.00 C ATOM 644 O GLY A 42 0.361 7.608 -8.336 1.00 0.00 O ATOM 0 H GLY A 42 1.364 9.903 -7.558 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.147 8.741 -8.953 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.401 7.693 -7.571 1.00 0.00 H new ATOM 648 N GLU A 43 1.897 6.326 -9.274 1.00 0.00 N ATOM 649 CA GLU A 43 0.886 5.363 -9.801 1.00 0.00 C ATOM 650 C GLU A 43 0.643 4.246 -8.786 1.00 0.00 C ATOM 651 O GLU A 43 1.568 3.596 -8.352 1.00 0.00 O ATOM 652 CB GLU A 43 1.533 4.787 -11.058 1.00 0.00 C ATOM 653 CG GLU A 43 1.643 5.878 -12.126 1.00 0.00 C ATOM 654 CD GLU A 43 0.419 5.821 -13.041 1.00 0.00 C ATOM 655 OE1 GLU A 43 -0.677 6.020 -12.545 1.00 0.00 O ATOM 656 OE2 GLU A 43 0.599 5.580 -14.225 1.00 0.00 O ATOM 0 H GLU A 43 2.865 6.096 -9.499 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.076 5.835 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.522 4.394 -10.822 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.940 3.954 -11.435 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.712 6.858 -11.654 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.553 5.740 -12.710 1.00 0.00 H new ATOM 663 N TRP A 44 -0.594 4.013 -8.415 1.00 0.00 N ATOM 664 CA TRP A 44 -0.898 2.926 -7.432 1.00 0.00 C ATOM 665 C TRP A 44 -1.293 1.649 -8.163 1.00 0.00 C ATOM 666 O TRP A 44 -2.175 1.647 -9.002 1.00 0.00 O ATOM 667 CB TRP A 44 -2.063 3.455 -6.598 1.00 0.00 C ATOM 668 CG TRP A 44 -1.507 4.242 -5.468 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.250 5.570 -5.477 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.112 3.754 -4.166 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.714 5.925 -4.252 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.610 4.835 -3.409 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.143 2.481 -3.580 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.150 4.656 -2.107 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.680 2.295 -2.269 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.182 3.382 -1.535 1.00 0.00 C ATOM 0 H TRP A 44 -1.407 4.530 -8.751 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.037 2.679 -6.811 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.716 4.078 -7.210 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.668 2.629 -6.224 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.433 6.241 -6.303 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.431 6.873 -4.002 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.525 1.640 -4.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.229 5.496 -1.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.707 1.312 -1.823 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.177 3.234 -0.527 1.00 0.00 H new ATOM 687 N THR A 45 -0.636 0.565 -7.852 1.00 0.00 N ATOM 688 CA THR A 45 -0.952 -0.728 -8.526 1.00 0.00 C ATOM 689 C THR A 45 -0.861 -1.857 -7.513 1.00 0.00 C ATOM 690 O THR A 45 0.076 -1.928 -6.743 1.00 0.00 O ATOM 691 CB THR A 45 0.109 -0.921 -9.626 1.00 0.00 C ATOM 692 OG1 THR A 45 1.328 -1.361 -9.043 1.00 0.00 O ATOM 693 CG2 THR A 45 0.351 0.392 -10.370 1.00 0.00 C ATOM 0 H THR A 45 0.109 0.518 -7.157 1.00 0.00 H new ATOM 0 HA THR A 45 -1.957 -0.726 -8.949 1.00 0.00 H new ATOM 0 HB THR A 45 -0.254 -1.668 -10.332 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.001 -1.484 -9.745 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.103 0.238 -11.144 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.579 0.727 -10.829 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.702 1.149 -9.668 1.00 0.00 H new ATOM 701 N TYR A 46 -1.818 -2.739 -7.516 1.00 0.00 N ATOM 702 CA TYR A 46 -1.792 -3.879 -6.558 1.00 0.00 C ATOM 703 C TYR A 46 -1.219 -5.122 -7.255 1.00 0.00 C ATOM 704 O TYR A 46 -1.494 -5.376 -8.413 1.00 0.00 O ATOM 705 CB TYR A 46 -3.257 -4.089 -6.145 1.00 0.00 C ATOM 706 CG TYR A 46 -3.394 -5.382 -5.367 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.621 -5.590 -4.222 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.281 -6.375 -5.803 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.733 -6.786 -3.508 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.394 -7.573 -5.088 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.620 -7.779 -3.940 1.00 0.00 C ATOM 712 OH TYR A 46 -3.733 -8.958 -3.235 1.00 0.00 O ATOM 0 H TYR A 46 -2.622 -2.720 -8.144 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.164 -3.689 -5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.596 -3.251 -5.536 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.893 -4.118 -7.030 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.936 -4.825 -3.888 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.877 -6.216 -6.690 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.135 -6.944 -2.623 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.079 -8.339 -5.422 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.393 -9.537 -3.670 1.00 0.00 H new ATOM 722 N ASP A 47 -0.441 -5.897 -6.546 1.00 0.00 N ATOM 723 CA ASP A 47 0.140 -7.131 -7.149 1.00 0.00 C ATOM 724 C ASP A 47 -0.520 -8.364 -6.531 1.00 0.00 C ATOM 725 O ASP A 47 -0.173 -8.786 -5.444 1.00 0.00 O ATOM 726 CB ASP A 47 1.630 -7.085 -6.808 1.00 0.00 C ATOM 727 CG ASP A 47 2.424 -7.810 -7.899 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.324 -7.404 -9.045 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.118 -8.756 -7.569 1.00 0.00 O ATOM 0 H ASP A 47 -0.183 -5.728 -5.574 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.020 -7.184 -8.226 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.964 -6.051 -6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.808 -7.555 -5.841 1.00 0.00 H new ATOM 734 N ASP A 48 -1.467 -8.947 -7.223 1.00 0.00 N ATOM 735 CA ASP A 48 -2.162 -10.162 -6.687 1.00 0.00 C ATOM 736 C ASP A 48 -1.234 -11.390 -6.691 1.00 0.00 C ATOM 737 O ASP A 48 -1.602 -12.448 -6.218 1.00 0.00 O ATOM 738 CB ASP A 48 -3.358 -10.391 -7.619 1.00 0.00 C ATOM 739 CG ASP A 48 -2.871 -10.587 -9.058 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.453 -9.610 -9.659 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.925 -11.709 -9.534 1.00 0.00 O ATOM 0 H ASP A 48 -1.791 -8.634 -8.138 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.469 -10.016 -5.651 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.920 -11.267 -7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.037 -9.540 -7.569 1.00 0.00 H new ATOM 746 N ALA A 49 -0.038 -11.259 -7.212 1.00 0.00 N ATOM 747 CA ALA A 49 0.909 -12.411 -7.238 1.00 0.00 C ATOM 748 C ALA A 49 1.798 -12.376 -5.994 1.00 0.00 C ATOM 749 O ALA A 49 2.272 -13.397 -5.533 1.00 0.00 O ATOM 750 CB ALA A 49 1.741 -12.209 -8.505 1.00 0.00 C ATOM 0 H ALA A 49 0.322 -10.397 -7.622 1.00 0.00 H new ATOM 0 HA ALA A 49 0.399 -13.375 -7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.465 -13.019 -8.598 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.084 -12.208 -9.375 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.267 -11.256 -8.447 1.00 0.00 H new ATOM 756 N THR A 50 2.015 -11.207 -5.443 1.00 0.00 N ATOM 757 CA THR A 50 2.859 -11.096 -4.220 1.00 0.00 C ATOM 758 C THR A 50 2.119 -10.302 -3.136 1.00 0.00 C ATOM 759 O THR A 50 2.683 -9.972 -2.111 1.00 0.00 O ATOM 760 CB THR A 50 4.113 -10.345 -4.668 1.00 0.00 C ATOM 761 OG1 THR A 50 3.741 -9.077 -5.189 1.00 0.00 O ATOM 762 CG2 THR A 50 4.835 -11.153 -5.745 1.00 0.00 C ATOM 0 H THR A 50 1.641 -10.324 -5.791 1.00 0.00 H new ATOM 0 HA THR A 50 3.098 -12.071 -3.795 1.00 0.00 H new ATOM 0 HB THR A 50 4.779 -10.206 -3.817 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.798 -9.096 -6.167 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.729 -10.617 -6.064 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.119 -12.125 -5.341 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.173 -11.294 -6.599 1.00 0.00 H new ATOM 770 N LYS A 51 0.856 -9.986 -3.353 1.00 0.00 N ATOM 771 CA LYS A 51 0.075 -9.206 -2.336 1.00 0.00 C ATOM 772 C LYS A 51 0.808 -7.904 -2.000 1.00 0.00 C ATOM 773 O LYS A 51 0.900 -7.511 -0.852 1.00 0.00 O ATOM 774 CB LYS A 51 -0.019 -10.108 -1.095 1.00 0.00 C ATOM 775 CG LYS A 51 -0.678 -11.442 -1.466 1.00 0.00 C ATOM 776 CD LYS A 51 -2.193 -11.258 -1.556 1.00 0.00 C ATOM 777 CE LYS A 51 -2.847 -12.585 -1.949 1.00 0.00 C ATOM 778 NZ LYS A 51 -4.312 -12.319 -1.907 1.00 0.00 N ATOM 0 H LYS A 51 0.335 -10.237 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.915 -8.935 -2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.976 -10.285 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.598 -9.611 -0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.288 -11.799 -2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.437 -12.198 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.586 -10.917 -0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.434 -10.490 -2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.532 -12.901 -2.943 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.570 -13.381 -1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.829 -13.183 -2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.584 -12.026 -0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.547 -11.561 -2.580 1.00 0.00 H new ATOM 792 N THR A 52 1.342 -7.243 -2.996 1.00 0.00 N ATOM 793 CA THR A 52 2.085 -5.970 -2.739 1.00 0.00 C ATOM 794 C THR A 52 1.598 -4.851 -3.668 1.00 0.00 C ATOM 795 O THR A 52 1.373 -5.064 -4.843 1.00 0.00 O ATOM 796 CB THR A 52 3.547 -6.311 -3.035 1.00 0.00 C ATOM 797 OG1 THR A 52 3.944 -7.414 -2.233 1.00 0.00 O ATOM 798 CG2 THR A 52 4.431 -5.103 -2.722 1.00 0.00 C ATOM 0 H THR A 52 1.296 -7.528 -3.974 1.00 0.00 H new ATOM 0 HA THR A 52 1.937 -5.609 -1.721 1.00 0.00 H new ATOM 0 HB THR A 52 3.654 -6.569 -4.088 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.439 -8.211 -2.499 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.472 -5.349 -2.934 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.125 -4.258 -3.339 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.328 -4.839 -1.669 1.00 0.00 H new ATOM 806 N PHE A 53 1.449 -3.657 -3.147 1.00 0.00 N ATOM 807 CA PHE A 53 0.994 -2.513 -3.995 1.00 0.00 C ATOM 808 C PHE A 53 2.223 -1.747 -4.511 1.00 0.00 C ATOM 809 O PHE A 53 3.341 -2.185 -4.309 1.00 0.00 O ATOM 810 CB PHE A 53 0.140 -1.648 -3.067 1.00 0.00 C ATOM 811 CG PHE A 53 -1.143 -2.376 -2.732 1.00 0.00 C ATOM 812 CD1 PHE A 53 -1.142 -3.383 -1.757 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.335 -2.043 -3.390 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.332 -4.054 -1.440 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.521 -2.715 -3.072 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.520 -3.718 -2.098 1.00 0.00 C ATOM 0 H PHE A 53 1.624 -3.426 -2.169 1.00 0.00 H new ATOM 0 HA PHE A 53 0.425 -2.825 -4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.691 -1.423 -2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.085 -0.695 -3.546 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.224 -3.642 -1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.338 -1.268 -4.142 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.331 -4.830 -0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.439 -2.458 -3.580 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.437 -4.234 -1.853 1.00 0.00 H new ATOM 826 N THR A 54 2.049 -0.614 -5.172 1.00 0.00 N ATOM 827 CA THR A 54 3.234 0.135 -5.681 1.00 0.00 C ATOM 828 C THR A 54 2.829 1.571 -5.975 1.00 0.00 C ATOM 829 O THR A 54 1.938 1.816 -6.753 1.00 0.00 O ATOM 830 CB THR A 54 3.643 -0.575 -6.974 1.00 0.00 C ATOM 831 OG1 THR A 54 3.836 -1.960 -6.720 1.00 0.00 O ATOM 832 CG2 THR A 54 4.945 0.033 -7.502 1.00 0.00 C ATOM 0 H THR A 54 1.144 -0.188 -5.374 1.00 0.00 H new ATOM 0 HA THR A 54 4.053 0.157 -4.962 1.00 0.00 H new ATOM 0 HB THR A 54 2.855 -0.451 -7.717 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.195 -2.080 -5.816 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.236 -0.473 -8.423 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.796 1.094 -7.702 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.732 -0.089 -6.757 1.00 0.00 H new ATOM 840 N VAL A 55 3.482 2.513 -5.358 1.00 0.00 N ATOM 841 CA VAL A 55 3.149 3.955 -5.593 1.00 0.00 C ATOM 842 C VAL A 55 4.389 4.651 -6.167 1.00 0.00 C ATOM 843 O VAL A 55 5.236 5.142 -5.446 1.00 0.00 O ATOM 844 CB VAL A 55 2.705 4.516 -4.210 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.626 4.031 -3.086 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.689 6.050 -4.214 1.00 0.00 C ATOM 0 H VAL A 55 4.239 2.350 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 55 2.347 4.114 -6.314 1.00 0.00 H new ATOM 0 HB VAL A 55 1.697 4.144 -4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.287 4.442 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.602 2.942 -3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.645 4.364 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.375 6.413 -3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.689 6.424 -4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.992 6.405 -4.973 1.00 0.00 H new ATOM 856 N THR A 56 4.506 4.656 -7.475 1.00 0.00 N ATOM 857 CA THR A 56 5.695 5.273 -8.138 1.00 0.00 C ATOM 858 C THR A 56 5.469 6.789 -8.350 1.00 0.00 C ATOM 859 O THR A 56 4.805 7.217 -9.272 1.00 0.00 O ATOM 860 CB THR A 56 5.856 4.432 -9.451 1.00 0.00 C ATOM 861 OG1 THR A 56 7.121 3.792 -9.435 1.00 0.00 O ATOM 862 CG2 THR A 56 5.751 5.267 -10.735 1.00 0.00 C ATOM 0 H THR A 56 3.821 4.255 -8.115 1.00 0.00 H new ATOM 0 HA THR A 56 6.616 5.240 -7.555 1.00 0.00 H new ATOM 0 HB THR A 56 5.035 3.716 -9.465 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.815 4.432 -9.700 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.872 4.618 -11.602 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.774 5.749 -10.776 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.532 6.028 -10.739 1.00 0.00 H new ATOM 870 N GLU A 57 6.014 7.603 -7.477 1.00 0.00 N ATOM 871 CA GLU A 57 5.833 9.088 -7.605 1.00 0.00 C ATOM 872 C GLU A 57 6.357 9.572 -8.960 1.00 0.00 C ATOM 873 O GLU A 57 7.270 8.949 -9.476 1.00 0.00 O ATOM 874 CB GLU A 57 6.659 9.693 -6.468 1.00 0.00 C ATOM 875 CG GLU A 57 6.067 11.046 -6.068 1.00 0.00 C ATOM 876 CD GLU A 57 6.955 11.701 -5.008 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.315 11.020 -4.062 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.260 12.872 -5.162 1.00 0.00 O ATOM 879 OXT GLU A 57 5.836 10.556 -9.457 1.00 0.00 O ATOM 0 H GLU A 57 6.577 7.305 -6.680 1.00 0.00 H new ATOM 0 HA GLU A 57 4.784 9.378 -7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.665 9.020 -5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.695 9.817 -6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.989 11.693 -6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.058 10.912 -5.679 1.00 0.00 H new