USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 437 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= 0.761 F(o=-0.3,f=1.1) USER MOD Set 1.2: A 56 THR OG1 : rot -89:sc= 0.332 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= -0.961 USER MOD Set 2.2: A 52 THR OG1 : rot 90:sc= -0.0234 USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= -0.755 USER MOD Set 3.2: A 54 THR OG1 : rot 138:sc= 0.406 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 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 -100:sc= 0.184 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 23:sc= 0.271 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 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.462 X(o=-0.46,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.174 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.209 -14.977 8.085 1.00 0.00 N ATOM 2 CA MET A 1 -2.090 -13.993 8.034 1.00 0.00 C ATOM 3 C MET A 1 -2.161 -13.177 6.739 1.00 0.00 C ATOM 4 O MET A 1 -1.619 -13.564 5.721 1.00 0.00 O ATOM 5 CB MET A 1 -0.816 -14.840 8.065 1.00 0.00 C ATOM 6 CG MET A 1 0.391 -13.937 8.324 1.00 0.00 C ATOM 7 SD MET A 1 1.675 -14.875 9.188 1.00 0.00 S ATOM 8 CE MET A 1 2.828 -15.009 7.799 1.00 0.00 C ATOM 0 H1 MET A 1 -3.150 -15.524 8.967 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.117 -14.472 8.051 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.141 -15.622 7.272 1.00 0.00 H new ATOM 0 HA MET A 1 -2.127 -13.282 8.859 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.890 -15.599 8.844 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.693 -15.366 7.118 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.779 -13.552 7.381 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.092 -13.075 8.921 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.713 -15.563 8.113 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.345 -15.533 6.974 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.122 -14.011 7.472 1.00 0.00 H new ATOM 20 N THR A 2 -2.827 -12.049 6.775 1.00 0.00 N ATOM 21 CA THR A 2 -2.940 -11.200 5.551 1.00 0.00 C ATOM 22 C THR A 2 -2.019 -9.980 5.663 1.00 0.00 C ATOM 23 O THR A 2 -2.468 -8.871 5.889 1.00 0.00 O ATOM 24 CB THR A 2 -4.406 -10.763 5.501 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.241 -11.913 5.492 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.654 -9.940 4.235 1.00 0.00 C ATOM 0 H THR A 2 -3.298 -11.680 7.601 1.00 0.00 H new ATOM 0 HA THR A 2 -2.645 -11.738 4.650 1.00 0.00 H new ATOM 0 HB THR A 2 -4.634 -10.155 6.376 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.180 -11.635 5.462 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.698 -9.630 4.201 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.014 -9.058 4.243 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.427 -10.545 3.357 1.00 0.00 H new ATOM 34 N THR A 3 -0.735 -10.179 5.503 1.00 0.00 N ATOM 35 CA THR A 3 0.222 -9.035 5.594 1.00 0.00 C ATOM 36 C THR A 3 0.568 -8.528 4.193 1.00 0.00 C ATOM 37 O THR A 3 1.330 -9.144 3.472 1.00 0.00 O ATOM 38 CB THR A 3 1.464 -9.607 6.280 1.00 0.00 C ATOM 39 OG1 THR A 3 1.098 -10.154 7.540 1.00 0.00 O ATOM 40 CG2 THR A 3 2.500 -8.497 6.486 1.00 0.00 C ATOM 0 H THR A 3 -0.308 -11.086 5.313 1.00 0.00 H new ATOM 0 HA THR A 3 -0.193 -8.191 6.146 1.00 0.00 H new ATOM 0 HB THR A 3 1.894 -10.388 5.653 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.892 -10.522 7.980 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.383 -8.909 6.975 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.782 -8.079 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.073 -7.712 7.110 1.00 0.00 H new ATOM 48 N PHE A 4 0.010 -7.410 3.805 1.00 0.00 N ATOM 49 CA PHE A 4 0.299 -6.855 2.450 1.00 0.00 C ATOM 50 C PHE A 4 1.499 -5.908 2.512 1.00 0.00 C ATOM 51 O PHE A 4 1.773 -5.307 3.534 1.00 0.00 O ATOM 52 CB PHE A 4 -0.965 -6.094 2.057 1.00 0.00 C ATOM 53 CG PHE A 4 -1.971 -7.064 1.490 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.741 -7.659 0.243 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.129 -7.374 2.211 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.670 -8.563 -0.282 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.058 -8.278 1.683 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.829 -8.872 0.437 1.00 0.00 C ATOM 0 H PHE A 4 -0.635 -6.857 4.370 1.00 0.00 H new ATOM 0 HA PHE A 4 0.547 -7.634 1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.382 -5.585 2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.728 -5.326 1.321 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.847 -7.420 -0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.306 -6.917 3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.492 -9.023 -1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.953 -8.517 2.238 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.547 -9.569 0.031 1.00 0.00 H new ATOM 68 N LYS A 5 2.217 -5.780 1.427 1.00 0.00 N ATOM 69 CA LYS A 5 3.406 -4.876 1.414 1.00 0.00 C ATOM 70 C LYS A 5 3.153 -3.686 0.483 1.00 0.00 C ATOM 71 O LYS A 5 2.056 -3.494 -0.006 1.00 0.00 O ATOM 72 CB LYS A 5 4.557 -5.737 0.883 1.00 0.00 C ATOM 73 CG LYS A 5 4.757 -6.953 1.792 1.00 0.00 C ATOM 74 CD LYS A 5 6.170 -7.507 1.602 1.00 0.00 C ATOM 75 CE LYS A 5 6.147 -9.028 1.767 1.00 0.00 C ATOM 76 NZ LYS A 5 7.570 -9.450 1.649 1.00 0.00 N ATOM 0 H LYS A 5 2.031 -6.263 0.548 1.00 0.00 H new ATOM 0 HA LYS A 5 3.625 -4.469 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.340 -6.063 -0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.474 -5.149 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.603 -6.671 2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.020 -7.721 1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.546 -7.243 0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.848 -7.062 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.729 -9.314 2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.531 -9.499 1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.635 -10.483 1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.939 -9.171 0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.131 -8.992 2.395 1.00 0.00 H new ATOM 90 N LEU A 6 4.162 -2.887 0.235 1.00 0.00 N ATOM 91 CA LEU A 6 3.984 -1.706 -0.661 1.00 0.00 C ATOM 92 C LEU A 6 5.348 -1.170 -1.104 1.00 0.00 C ATOM 93 O LEU A 6 6.052 -0.545 -0.335 1.00 0.00 O ATOM 94 CB LEU A 6 3.244 -0.671 0.200 1.00 0.00 C ATOM 95 CG LEU A 6 3.078 0.652 -0.565 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.913 0.539 -1.548 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.794 1.782 0.429 1.00 0.00 C ATOM 0 H LEU A 6 5.101 -3.003 0.615 1.00 0.00 H new ATOM 0 HA LEU A 6 3.433 -1.949 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.265 -1.059 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.797 -0.496 1.123 1.00 0.00 H new ATOM 0 HG LEU A 6 3.994 0.867 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.800 1.479 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.112 -0.265 -2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.995 0.322 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.676 2.721 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.879 1.562 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.625 1.868 1.129 1.00 0.00 H new ATOM 109 N ILE A 7 5.707 -1.378 -2.346 1.00 0.00 N ATOM 110 CA ILE A 7 7.004 -0.847 -2.844 1.00 0.00 C ATOM 111 C ILE A 7 6.788 0.604 -3.249 1.00 0.00 C ATOM 112 O ILE A 7 5.908 0.903 -4.039 1.00 0.00 O ATOM 113 CB ILE A 7 7.367 -1.702 -4.059 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.514 -3.166 -3.634 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.691 -1.210 -4.649 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.310 -4.072 -4.850 1.00 0.00 C ATOM 0 H ILE A 7 5.156 -1.893 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 7 7.800 -0.885 -2.100 1.00 0.00 H new ATOM 0 HB ILE A 7 6.579 -1.620 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.501 -3.334 -3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.784 -3.407 -2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.952 -1.818 -5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.589 -0.169 -4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.477 -1.292 -3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.414 -5.114 -4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.313 -3.911 -5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.057 -3.837 -5.608 1.00 0.00 H new ATOM 128 N ILE A 8 7.558 1.509 -2.711 1.00 0.00 N ATOM 129 CA ILE A 8 7.356 2.940 -3.072 1.00 0.00 C ATOM 130 C ILE A 8 8.214 3.293 -4.292 1.00 0.00 C ATOM 131 O ILE A 8 9.428 3.246 -4.237 1.00 0.00 O ATOM 132 CB ILE A 8 7.788 3.797 -1.870 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.303 3.194 -0.518 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.217 5.207 -2.065 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.803 3.436 -0.277 1.00 0.00 C ATOM 0 H ILE A 8 8.309 1.324 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 8 6.310 3.126 -3.316 1.00 0.00 H new ATOM 0 HB ILE A 8 8.877 3.825 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.502 2.122 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.876 3.632 0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.509 5.837 -1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.606 5.632 -2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.130 5.155 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.512 2.997 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.606 4.508 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.227 2.974 -1.079 1.00 0.00 H new ATOM 147 N ASN A 9 7.593 3.640 -5.390 1.00 0.00 N ATOM 148 CA ASN A 9 8.371 3.993 -6.617 1.00 0.00 C ATOM 149 C ASN A 9 8.395 5.514 -6.818 1.00 0.00 C ATOM 150 O ASN A 9 7.818 6.034 -7.756 1.00 0.00 O ATOM 151 CB ASN A 9 7.625 3.305 -7.763 1.00 0.00 C ATOM 152 CG ASN A 9 8.366 3.550 -9.079 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.897 4.428 -9.922 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 9.381 2.937 -9.341 1.00 0.00 N flip ATOM 0 H ASN A 9 6.579 3.694 -5.491 1.00 0.00 H new ATOM 0 HA ASN A 9 9.411 3.673 -6.555 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.550 2.235 -7.570 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.607 3.689 -7.830 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.747 2.251 -8.681 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.868 3.108 -10.221 1.00 0.00 H new ATOM 161 N GLY A 10 9.061 6.229 -5.945 1.00 0.00 N ATOM 162 CA GLY A 10 9.128 7.715 -6.082 1.00 0.00 C ATOM 163 C GLY A 10 10.225 8.267 -5.171 1.00 0.00 C ATOM 164 O GLY A 10 10.744 7.569 -4.319 1.00 0.00 O ATOM 0 H GLY A 10 9.561 5.846 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.332 7.986 -7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.167 8.158 -5.820 1.00 0.00 H new ATOM 168 N LYS A 11 10.583 9.516 -5.344 1.00 0.00 N ATOM 169 CA LYS A 11 11.650 10.121 -4.487 1.00 0.00 C ATOM 170 C LYS A 11 11.236 10.068 -3.012 1.00 0.00 C ATOM 171 O LYS A 11 12.061 9.899 -2.133 1.00 0.00 O ATOM 172 CB LYS A 11 11.793 11.573 -4.967 1.00 0.00 C ATOM 173 CG LYS A 11 10.468 12.326 -4.789 1.00 0.00 C ATOM 174 CD LYS A 11 10.644 13.779 -5.236 1.00 0.00 C ATOM 175 CE LYS A 11 11.626 14.489 -4.301 1.00 0.00 C ATOM 176 NZ LYS A 11 11.106 15.879 -4.183 1.00 0.00 N ATOM 0 H LYS A 11 10.182 10.143 -6.042 1.00 0.00 H new ATOM 0 HA LYS A 11 12.595 9.583 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.582 12.073 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.090 11.589 -6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.683 11.847 -5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.154 12.291 -3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.013 13.812 -6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.682 14.292 -5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.669 13.999 -3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.637 14.479 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.727 16.430 -3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.082 16.322 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.145 15.858 -3.786 1.00 0.00 H new ATOM 190 N THR A 12 9.962 10.199 -2.741 1.00 0.00 N ATOM 191 CA THR A 12 9.484 10.145 -1.328 1.00 0.00 C ATOM 192 C THR A 12 9.376 8.687 -0.877 1.00 0.00 C ATOM 193 O THR A 12 8.850 7.850 -1.586 1.00 0.00 O ATOM 194 CB THR A 12 8.104 10.808 -1.345 1.00 0.00 C ATOM 195 OG1 THR A 12 7.389 10.380 -2.496 1.00 0.00 O ATOM 196 CG2 THR A 12 8.267 12.327 -1.377 1.00 0.00 C ATOM 0 H THR A 12 9.232 10.341 -3.439 1.00 0.00 H new ATOM 0 HA THR A 12 10.162 10.648 -0.638 1.00 0.00 H new ATOM 0 HB THR A 12 7.552 10.524 -0.449 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.436 11.074 -3.187 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.284 12.798 -1.389 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.815 12.653 -0.493 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.818 12.615 -2.272 1.00 0.00 H new ATOM 204 N LEU A 13 9.876 8.375 0.297 1.00 0.00 N ATOM 205 CA LEU A 13 9.821 6.964 0.809 1.00 0.00 C ATOM 206 C LEU A 13 10.532 6.017 -0.165 1.00 0.00 C ATOM 207 O LEU A 13 10.782 6.357 -1.305 1.00 0.00 O ATOM 208 CB LEU A 13 8.332 6.597 0.916 1.00 0.00 C ATOM 209 CG LEU A 13 7.859 6.739 2.362 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.341 6.554 2.415 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.533 5.671 3.226 1.00 0.00 C ATOM 0 H LEU A 13 10.323 9.041 0.927 1.00 0.00 H new ATOM 0 HA LEU A 13 10.320 6.876 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.742 7.244 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.176 5.574 0.573 1.00 0.00 H new ATOM 0 HG LEU A 13 8.121 7.728 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.998 6.654 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.860 7.312 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.082 5.563 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.196 5.772 4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.269 4.681 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.615 5.798 3.184 1.00 0.00 H new ATOM 223 N LYS A 14 10.858 4.826 0.278 1.00 0.00 N ATOM 224 CA LYS A 14 11.549 3.841 -0.609 1.00 0.00 C ATOM 225 C LYS A 14 11.749 2.517 0.134 1.00 0.00 C ATOM 226 O LYS A 14 12.764 2.301 0.771 1.00 0.00 O ATOM 227 CB LYS A 14 12.909 4.461 -0.976 1.00 0.00 C ATOM 228 CG LYS A 14 13.686 4.830 0.296 1.00 0.00 C ATOM 229 CD LYS A 14 14.270 6.240 0.159 1.00 0.00 C ATOM 230 CE LYS A 14 15.322 6.252 -0.952 1.00 0.00 C ATOM 231 NZ LYS A 14 16.136 7.472 -0.696 1.00 0.00 N ATOM 0 H LYS A 14 10.673 4.493 1.224 1.00 0.00 H new ATOM 0 HA LYS A 14 10.962 3.631 -1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.488 3.757 -1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.758 5.350 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.026 4.783 1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.487 4.110 0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.477 6.953 -0.069 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.718 6.552 1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.938 5.353 -0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.856 6.287 -1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.881 7.550 -1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.524 8.312 -0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.572 7.407 0.246 1.00 0.00 H new ATOM 245 N GLY A 15 10.788 1.629 0.057 1.00 0.00 N ATOM 246 CA GLY A 15 10.922 0.317 0.761 1.00 0.00 C ATOM 247 C GLY A 15 9.624 -0.481 0.631 1.00 0.00 C ATOM 248 O GLY A 15 8.788 -0.193 -0.206 1.00 0.00 O ATOM 0 H GLY A 15 9.919 1.756 -0.462 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.751 -0.250 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.154 0.482 1.813 1.00 0.00 H new ATOM 252 N GLU A 16 9.454 -1.486 1.454 1.00 0.00 N ATOM 253 CA GLU A 16 8.215 -2.318 1.390 1.00 0.00 C ATOM 254 C GLU A 16 7.643 -2.532 2.795 1.00 0.00 C ATOM 255 O GLU A 16 7.687 -3.623 3.333 1.00 0.00 O ATOM 256 CB GLU A 16 8.669 -3.647 0.783 1.00 0.00 C ATOM 257 CG GLU A 16 8.741 -3.515 -0.738 1.00 0.00 C ATOM 258 CD GLU A 16 9.665 -4.596 -1.304 1.00 0.00 C ATOM 259 OE1 GLU A 16 10.781 -4.706 -0.822 1.00 0.00 O ATOM 260 OE2 GLU A 16 9.240 -5.295 -2.210 1.00 0.00 O ATOM 0 H GLU A 16 10.124 -1.766 2.170 1.00 0.00 H new ATOM 0 HA GLU A 16 7.428 -1.846 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.645 -3.926 1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.974 -4.441 1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.745 -3.612 -1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.111 -2.527 -1.010 1.00 0.00 H new ATOM 267 N ILE A 17 7.100 -1.498 3.389 1.00 0.00 N ATOM 268 CA ILE A 17 6.517 -1.639 4.760 1.00 0.00 C ATOM 269 C ILE A 17 5.353 -2.637 4.727 1.00 0.00 C ATOM 270 O ILE A 17 4.339 -2.401 4.099 1.00 0.00 O ATOM 271 CB ILE A 17 6.037 -0.233 5.146 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.433 -0.264 6.555 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.983 0.262 4.145 1.00 0.00 C ATOM 274 CD1 ILE A 17 6.530 0.011 7.584 1.00 0.00 C ATOM 0 H ILE A 17 7.035 -0.564 2.985 1.00 0.00 H new ATOM 0 HA ILE A 17 7.237 -2.019 5.485 1.00 0.00 H new ATOM 0 HB ILE A 17 6.888 0.448 5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.643 0.483 6.641 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.976 -1.235 6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.651 1.260 4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.418 0.296 3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.131 -0.418 4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.102 -0.011 8.586 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.304 -0.752 7.503 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.967 0.992 7.397 1.00 0.00 H new ATOM 286 N THR A 18 5.504 -3.753 5.393 1.00 0.00 N ATOM 287 CA THR A 18 4.419 -4.781 5.401 1.00 0.00 C ATOM 288 C THR A 18 3.370 -4.445 6.464 1.00 0.00 C ATOM 289 O THR A 18 3.698 -4.048 7.567 1.00 0.00 O ATOM 290 CB THR A 18 5.121 -6.099 5.748 1.00 0.00 C ATOM 291 OG1 THR A 18 5.707 -5.992 7.038 1.00 0.00 O ATOM 292 CG2 THR A 18 6.212 -6.403 4.716 1.00 0.00 C ATOM 0 H THR A 18 6.334 -3.998 5.933 1.00 0.00 H new ATOM 0 HA THR A 18 3.898 -4.831 4.445 1.00 0.00 H new ATOM 0 HB THR A 18 4.390 -6.907 5.739 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.246 -5.295 7.550 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.704 -7.341 4.972 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.763 -6.487 3.726 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.946 -5.597 4.714 1.00 0.00 H new ATOM 300 N ILE A 19 2.110 -4.612 6.141 1.00 0.00 N ATOM 301 CA ILE A 19 1.033 -4.314 7.136 1.00 0.00 C ATOM 302 C ILE A 19 -0.093 -5.348 7.029 1.00 0.00 C ATOM 303 O ILE A 19 -0.350 -5.893 5.973 1.00 0.00 O ATOM 304 CB ILE A 19 0.523 -2.909 6.791 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.033 -2.879 5.363 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.675 -1.908 6.906 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.543 -3.131 5.387 1.00 0.00 C ATOM 0 H ILE A 19 1.782 -4.941 5.233 1.00 0.00 H new ATOM 0 HA ILE A 19 1.404 -4.359 8.160 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.273 -2.642 7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.176 -1.914 4.902 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.461 -3.636 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.315 -0.909 6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.062 -1.915 7.925 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.470 -2.187 6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.932 -3.108 4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.742 -4.107 5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.032 -2.357 5.979 1.00 0.00 H new ATOM 319 N GLU A 20 -0.762 -5.620 8.122 1.00 0.00 N ATOM 320 CA GLU A 20 -1.875 -6.618 8.100 1.00 0.00 C ATOM 321 C GLU A 20 -3.205 -5.926 7.777 1.00 0.00 C ATOM 322 O GLU A 20 -3.412 -4.776 8.116 1.00 0.00 O ATOM 323 CB GLU A 20 -1.904 -7.219 9.512 1.00 0.00 C ATOM 324 CG GLU A 20 -2.156 -6.118 10.558 1.00 0.00 C ATOM 325 CD GLU A 20 -3.490 -6.367 11.267 1.00 0.00 C ATOM 326 OE1 GLU A 20 -4.487 -6.512 10.579 1.00 0.00 O ATOM 327 OE2 GLU A 20 -3.491 -6.406 12.487 1.00 0.00 O ATOM 0 H GLU A 20 -0.584 -5.192 9.031 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.726 -7.383 7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.685 -7.976 9.576 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.958 -7.719 9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.345 -6.103 11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.168 -5.141 10.075 1.00 0.00 H new ATOM 334 N ALA A 21 -4.103 -6.620 7.122 1.00 0.00 N ATOM 335 CA ALA A 21 -5.420 -6.006 6.772 1.00 0.00 C ATOM 336 C ALA A 21 -6.434 -7.091 6.399 1.00 0.00 C ATOM 337 O ALA A 21 -6.073 -8.198 6.051 1.00 0.00 O ATOM 338 CB ALA A 21 -5.127 -5.112 5.566 1.00 0.00 C ATOM 0 H ALA A 21 -3.980 -7.585 6.815 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.848 -5.448 7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.046 -4.622 5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.391 -4.357 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.735 -5.719 4.750 1.00 0.00 H new ATOM 344 N VAL A 22 -7.706 -6.774 6.467 1.00 0.00 N ATOM 345 CA VAL A 22 -8.764 -7.775 6.117 1.00 0.00 C ATOM 346 C VAL A 22 -8.513 -8.359 4.718 1.00 0.00 C ATOM 347 O VAL A 22 -8.703 -9.537 4.481 1.00 0.00 O ATOM 348 CB VAL A 22 -10.083 -6.987 6.151 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.037 -5.844 5.129 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.250 -7.921 5.818 1.00 0.00 C ATOM 0 H VAL A 22 -8.058 -5.860 6.751 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.776 -8.619 6.807 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.222 -6.571 7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.976 -5.291 5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.212 -5.173 5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.890 -6.255 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.184 -7.360 5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.106 -8.342 4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.292 -8.727 6.551 1.00 0.00 H new ATOM 360 N ASP A 23 -8.082 -7.535 3.802 1.00 0.00 N ATOM 361 CA ASP A 23 -7.805 -8.010 2.416 1.00 0.00 C ATOM 362 C ASP A 23 -6.874 -7.017 1.722 1.00 0.00 C ATOM 363 O ASP A 23 -6.537 -5.989 2.280 1.00 0.00 O ATOM 364 CB ASP A 23 -9.170 -8.047 1.725 1.00 0.00 C ATOM 365 CG ASP A 23 -9.813 -9.418 1.938 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.106 -10.406 1.832 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.004 -9.456 2.204 1.00 0.00 O ATOM 0 H ASP A 23 -7.908 -6.542 3.957 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.321 -8.986 2.391 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.814 -7.265 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.055 -7.849 0.659 1.00 0.00 H new ATOM 372 N ALA A 24 -6.451 -7.311 0.518 1.00 0.00 N ATOM 373 CA ALA A 24 -5.534 -6.368 -0.192 1.00 0.00 C ATOM 374 C ALA A 24 -6.242 -5.030 -0.416 1.00 0.00 C ATOM 375 O ALA A 24 -5.630 -3.979 -0.379 1.00 0.00 O ATOM 376 CB ALA A 24 -5.203 -7.032 -1.529 1.00 0.00 C ATOM 0 H ALA A 24 -6.698 -8.154 0.000 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.630 -6.167 0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.532 -6.389 -2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.719 -7.992 -1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.122 -7.189 -2.094 1.00 0.00 H new ATOM 382 N ALA A 25 -7.535 -5.062 -0.637 1.00 0.00 N ATOM 383 CA ALA A 25 -8.302 -3.797 -0.856 1.00 0.00 C ATOM 384 C ALA A 25 -8.063 -2.828 0.306 1.00 0.00 C ATOM 385 O ALA A 25 -7.697 -1.684 0.109 1.00 0.00 O ATOM 386 CB ALA A 25 -9.772 -4.217 -0.908 1.00 0.00 C ATOM 0 H ALA A 25 -8.093 -5.915 -0.675 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.996 -3.286 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.396 -3.338 -1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.921 -4.920 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.048 -4.693 0.033 1.00 0.00 H new ATOM 392 N GLU A 26 -8.252 -3.291 1.516 1.00 0.00 N ATOM 393 CA GLU A 26 -8.021 -2.413 2.702 1.00 0.00 C ATOM 394 C GLU A 26 -6.541 -2.031 2.762 1.00 0.00 C ATOM 395 O GLU A 26 -6.193 -0.902 3.047 1.00 0.00 O ATOM 396 CB GLU A 26 -8.409 -3.258 3.918 1.00 0.00 C ATOM 397 CG GLU A 26 -9.771 -2.804 4.450 1.00 0.00 C ATOM 398 CD GLU A 26 -9.792 -2.918 5.976 1.00 0.00 C ATOM 399 OE1 GLU A 26 -8.763 -2.672 6.583 1.00 0.00 O ATOM 400 OE2 GLU A 26 -10.837 -3.249 6.512 1.00 0.00 O ATOM 0 H GLU A 26 -8.557 -4.240 1.733 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.601 -1.491 2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.449 -4.312 3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.653 -3.160 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.965 -1.774 4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.563 -3.416 4.019 1.00 0.00 H new ATOM 407 N ALA A 27 -5.665 -2.969 2.476 1.00 0.00 N ATOM 408 CA ALA A 27 -4.196 -2.666 2.494 1.00 0.00 C ATOM 409 C ALA A 27 -3.911 -1.468 1.586 1.00 0.00 C ATOM 410 O ALA A 27 -3.216 -0.543 1.960 1.00 0.00 O ATOM 411 CB ALA A 27 -3.510 -3.918 1.942 1.00 0.00 C ATOM 0 H ALA A 27 -5.904 -3.930 2.231 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.839 -2.421 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.431 -3.765 1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.747 -4.772 2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.863 -4.110 0.929 1.00 0.00 H new ATOM 417 N GLU A 28 -4.470 -1.476 0.398 1.00 0.00 N ATOM 418 CA GLU A 28 -4.261 -0.333 -0.541 1.00 0.00 C ATOM 419 C GLU A 28 -4.745 0.959 0.122 1.00 0.00 C ATOM 420 O GLU A 28 -4.148 1.999 -0.036 1.00 0.00 O ATOM 421 CB GLU A 28 -5.099 -0.658 -1.781 1.00 0.00 C ATOM 422 CG GLU A 28 -4.559 0.123 -2.984 1.00 0.00 C ATOM 423 CD GLU A 28 -5.701 0.410 -3.961 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.419 -0.519 -4.291 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.837 1.554 -4.362 1.00 0.00 O ATOM 0 H GLU A 28 -5.062 -2.226 0.041 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.213 -0.194 -0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.066 -1.728 -1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.143 -0.399 -1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.108 1.058 -2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.776 -0.450 -3.481 1.00 0.00 H new ATOM 432 N LYS A 29 -5.808 0.886 0.889 1.00 0.00 N ATOM 433 CA LYS A 29 -6.310 2.107 1.592 1.00 0.00 C ATOM 434 C LYS A 29 -5.304 2.496 2.678 1.00 0.00 C ATOM 435 O LYS A 29 -4.852 3.626 2.751 1.00 0.00 O ATOM 436 CB LYS A 29 -7.648 1.705 2.222 1.00 0.00 C ATOM 437 CG LYS A 29 -8.615 1.228 1.134 1.00 0.00 C ATOM 438 CD LYS A 29 -9.010 2.404 0.237 1.00 0.00 C ATOM 439 CE LYS A 29 -9.765 3.459 1.057 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.984 3.771 0.260 1.00 0.00 N ATOM 0 H LYS A 29 -6.347 0.036 1.057 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.434 2.957 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.492 0.913 2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.077 2.553 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.147 0.445 0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.504 0.793 1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.120 2.847 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.636 2.052 -0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.026 3.078 2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.156 4.350 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.551 4.486 0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.705 4.138 -0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.549 2.906 0.136 1.00 0.00 H new ATOM 454 N ILE A 30 -4.928 1.549 3.505 1.00 0.00 N ATOM 455 CA ILE A 30 -3.925 1.832 4.579 1.00 0.00 C ATOM 456 C ILE A 30 -2.633 2.328 3.929 1.00 0.00 C ATOM 457 O ILE A 30 -1.972 3.220 4.425 1.00 0.00 O ATOM 458 CB ILE A 30 -3.696 0.490 5.288 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.007 0.012 5.921 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.643 0.660 6.389 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.937 -1.498 6.180 1.00 0.00 C ATOM 0 H ILE A 30 -5.274 0.590 3.482 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.259 2.595 5.282 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.350 -0.243 4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.185 0.543 6.856 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.844 0.239 5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.483 -0.295 6.890 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.706 0.999 5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.990 1.396 7.114 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.871 -1.834 6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.780 -2.022 5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.110 -1.713 6.857 1.00 0.00 H new ATOM 473 N PHE A 31 -2.292 1.759 2.801 1.00 0.00 N ATOM 474 CA PHE A 31 -1.064 2.194 2.079 1.00 0.00 C ATOM 475 C PHE A 31 -1.331 3.547 1.416 1.00 0.00 C ATOM 476 O PHE A 31 -0.470 4.404 1.359 1.00 0.00 O ATOM 477 CB PHE A 31 -0.817 1.114 1.019 1.00 0.00 C ATOM 478 CG PHE A 31 -0.082 -0.055 1.630 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.105 0.155 2.342 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.584 -1.353 1.476 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.788 -0.932 2.899 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.099 -2.440 2.033 1.00 0.00 C ATOM 483 CZ PHE A 31 1.286 -2.229 2.745 1.00 0.00 C ATOM 0 H PHE A 31 -2.815 1.009 2.349 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.203 2.309 2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.767 0.779 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.236 1.528 0.195 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.493 1.156 2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.500 -1.515 0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.704 -0.770 3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.289 -3.441 1.914 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.814 -3.067 3.175 1.00 0.00 H new ATOM 493 N LYS A 32 -2.527 3.736 0.912 1.00 0.00 N ATOM 494 CA LYS A 32 -2.879 5.021 0.242 1.00 0.00 C ATOM 495 C LYS A 32 -3.131 6.139 1.263 1.00 0.00 C ATOM 496 O LYS A 32 -3.399 7.267 0.890 1.00 0.00 O ATOM 497 CB LYS A 32 -4.154 4.732 -0.550 1.00 0.00 C ATOM 498 CG LYS A 32 -3.800 3.993 -1.844 1.00 0.00 C ATOM 499 CD LYS A 32 -3.727 4.992 -3.004 1.00 0.00 C ATOM 500 CE LYS A 32 -5.108 5.609 -3.242 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.097 6.040 -4.668 1.00 0.00 N ATOM 0 H LYS A 32 -3.279 3.047 0.938 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.064 5.365 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.837 4.130 0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.669 5.664 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.845 3.480 -1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.549 3.230 -2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.003 5.774 -2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.382 4.490 -3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.901 4.885 -3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.283 6.454 -2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.012 6.473 -4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.336 6.734 -4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.935 5.214 -5.279 1.00 0.00 H new ATOM 515 N GLN A 33 -3.011 5.858 2.539 1.00 0.00 N ATOM 516 CA GLN A 33 -3.202 6.930 3.565 1.00 0.00 C ATOM 517 C GLN A 33 -1.821 7.200 4.133 1.00 0.00 C ATOM 518 O GLN A 33 -1.365 8.321 4.249 1.00 0.00 O ATOM 519 CB GLN A 33 -4.129 6.327 4.621 1.00 0.00 C ATOM 520 CG GLN A 33 -4.509 7.402 5.641 1.00 0.00 C ATOM 521 CD GLN A 33 -5.160 6.740 6.857 1.00 0.00 C ATOM 522 OE1 GLN A 33 -6.361 6.553 6.891 1.00 0.00 O ATOM 523 NE2 GLN A 33 -4.414 6.376 7.862 1.00 0.00 N ATOM 0 H GLN A 33 -2.790 4.935 2.913 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.631 7.858 3.188 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.026 5.927 4.147 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.635 5.494 5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.623 7.958 5.947 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.196 8.119 5.192 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.407 6.533 7.833 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.838 5.934 8.678 1.00 0.00 H new ATOM 532 N TYR A 34 -1.142 6.130 4.415 1.00 0.00 N ATOM 533 CA TYR A 34 0.259 6.176 4.908 1.00 0.00 C ATOM 534 C TYR A 34 1.107 7.024 3.936 1.00 0.00 C ATOM 535 O TYR A 34 2.014 7.731 4.331 1.00 0.00 O ATOM 536 CB TYR A 34 0.633 4.681 4.860 1.00 0.00 C ATOM 537 CG TYR A 34 2.131 4.465 4.764 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.940 4.646 5.894 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.707 4.081 3.547 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.322 4.445 5.805 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.089 3.880 3.458 1.00 0.00 C ATOM 542 CZ TYR A 34 4.897 4.061 4.587 1.00 0.00 C ATOM 543 OH TYR A 34 6.259 3.863 4.502 1.00 0.00 O ATOM 0 H TYR A 34 -1.516 5.186 4.320 1.00 0.00 H new ATOM 0 HA TYR A 34 0.408 6.623 5.891 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.253 4.185 5.753 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.145 4.214 4.004 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.497 4.941 6.834 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.084 3.940 2.676 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.945 4.586 6.676 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.532 3.585 2.518 1.00 0.00 H new ATOM 0 HH TYR A 34 6.495 3.599 3.588 1.00 0.00 H new ATOM 553 N ALA A 35 0.790 6.949 2.668 1.00 0.00 N ATOM 554 CA ALA A 35 1.537 7.737 1.640 1.00 0.00 C ATOM 555 C ALA A 35 1.224 9.229 1.794 1.00 0.00 C ATOM 556 O ALA A 35 2.112 10.060 1.816 1.00 0.00 O ATOM 557 CB ALA A 35 1.023 7.225 0.290 1.00 0.00 C ATOM 0 H ALA A 35 0.037 6.369 2.297 1.00 0.00 H new ATOM 0 HA ALA A 35 2.616 7.620 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.526 7.758 -0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.228 6.158 0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.052 7.395 0.222 1.00 0.00 H new ATOM 563 N ASN A 36 -0.036 9.570 1.903 1.00 0.00 N ATOM 564 CA ASN A 36 -0.424 11.009 2.056 1.00 0.00 C ATOM 565 C ASN A 36 0.238 11.609 3.297 1.00 0.00 C ATOM 566 O ASN A 36 0.797 12.689 3.252 1.00 0.00 O ATOM 567 CB ASN A 36 -1.941 11.002 2.223 1.00 0.00 C ATOM 568 CG ASN A 36 -2.611 11.012 0.845 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.429 11.865 0.563 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.297 10.095 -0.029 1.00 0.00 N ATOM 0 H ASN A 36 -0.816 8.913 1.893 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.109 11.607 1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.251 10.120 2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.257 11.872 2.799 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.738 10.095 -0.949 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.610 9.379 0.208 1.00 0.00 H new ATOM 577 N ASP A 37 0.179 10.914 4.405 1.00 0.00 N ATOM 578 CA ASP A 37 0.805 11.435 5.664 1.00 0.00 C ATOM 579 C ASP A 37 2.282 11.777 5.442 1.00 0.00 C ATOM 580 O ASP A 37 2.858 12.575 6.158 1.00 0.00 O ATOM 581 CB ASP A 37 0.664 10.304 6.685 1.00 0.00 C ATOM 582 CG ASP A 37 -0.764 10.283 7.230 1.00 0.00 C ATOM 583 OD1 ASP A 37 -1.095 11.165 8.005 1.00 0.00 O ATOM 584 OD2 ASP A 37 -1.503 9.384 6.863 1.00 0.00 O ATOM 0 H ASP A 37 -0.276 10.006 4.495 1.00 0.00 H new ATOM 0 HA ASP A 37 0.322 12.352 6.001 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.901 9.348 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.374 10.445 7.500 1.00 0.00 H new ATOM 589 N ASN A 38 2.892 11.177 4.457 1.00 0.00 N ATOM 590 CA ASN A 38 4.323 11.454 4.172 1.00 0.00 C ATOM 591 C ASN A 38 4.463 12.332 2.923 1.00 0.00 C ATOM 592 O ASN A 38 5.434 13.048 2.767 1.00 0.00 O ATOM 593 CB ASN A 38 4.958 10.080 3.944 1.00 0.00 C ATOM 594 CG ASN A 38 5.707 9.643 5.207 1.00 0.00 C ATOM 595 OD1 ASN A 38 5.098 9.340 6.214 1.00 0.00 O ATOM 596 ND2 ASN A 38 7.011 9.597 5.194 1.00 0.00 N ATOM 0 H ASN A 38 2.453 10.500 3.833 1.00 0.00 H new ATOM 0 HA ASN A 38 4.806 11.994 4.987 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.188 9.350 3.695 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.644 10.121 3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.519 9.307 6.029 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.522 9.851 4.349 1.00 0.00 H new ATOM 603 N GLY A 39 3.502 12.281 2.034 1.00 0.00 N ATOM 604 CA GLY A 39 3.575 13.112 0.795 1.00 0.00 C ATOM 605 C GLY A 39 3.816 12.205 -0.413 1.00 0.00 C ATOM 606 O GLY A 39 4.437 12.597 -1.384 1.00 0.00 O ATOM 0 H GLY A 39 2.669 11.698 2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.649 13.671 0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.379 13.843 0.881 1.00 0.00 H new ATOM 610 N ILE A 40 3.328 10.994 -0.357 1.00 0.00 N ATOM 611 CA ILE A 40 3.518 10.041 -1.489 1.00 0.00 C ATOM 612 C ILE A 40 2.280 10.092 -2.390 1.00 0.00 C ATOM 613 O ILE A 40 1.221 9.602 -2.044 1.00 0.00 O ATOM 614 CB ILE A 40 3.716 8.680 -0.784 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.190 8.524 -0.426 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.294 7.490 -1.649 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.535 9.533 0.658 1.00 0.00 C ATOM 0 H ILE A 40 2.801 10.621 0.433 1.00 0.00 H new ATOM 0 HA ILE A 40 4.362 10.259 -2.144 1.00 0.00 H new ATOM 0 HB ILE A 40 3.082 8.679 0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.389 7.511 -0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.812 8.686 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.457 6.564 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.238 7.580 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.886 7.477 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.587 9.434 0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.347 10.541 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.918 9.348 1.537 1.00 0.00 H new ATOM 629 N ASP A 41 2.413 10.704 -3.534 1.00 0.00 N ATOM 630 CA ASP A 41 1.248 10.818 -4.467 1.00 0.00 C ATOM 631 C ASP A 41 1.683 10.656 -5.929 1.00 0.00 C ATOM 632 O ASP A 41 2.360 11.502 -6.482 1.00 0.00 O ATOM 633 CB ASP A 41 0.696 12.224 -4.229 1.00 0.00 C ATOM 634 CG ASP A 41 -0.830 12.200 -4.321 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.341 11.516 -5.193 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.463 12.866 -3.519 1.00 0.00 O ATOM 0 H ASP A 41 3.277 11.132 -3.867 1.00 0.00 H new ATOM 0 HA ASP A 41 0.508 10.039 -4.283 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.005 12.586 -3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.104 12.915 -4.967 1.00 0.00 H new ATOM 641 N GLY A 42 1.285 9.578 -6.558 1.00 0.00 N ATOM 642 CA GLY A 42 1.652 9.350 -7.989 1.00 0.00 C ATOM 643 C GLY A 42 0.773 8.235 -8.568 1.00 0.00 C ATOM 644 O GLY A 42 -0.409 8.420 -8.790 1.00 0.00 O ATOM 0 H GLY A 42 0.718 8.842 -6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.518 10.268 -8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.704 9.076 -8.067 1.00 0.00 H new ATOM 648 N GLU A 43 1.342 7.080 -8.816 1.00 0.00 N ATOM 649 CA GLU A 43 0.539 5.948 -9.385 1.00 0.00 C ATOM 650 C GLU A 43 0.350 4.845 -8.334 1.00 0.00 C ATOM 651 O GLU A 43 0.913 4.906 -7.265 1.00 0.00 O ATOM 652 CB GLU A 43 1.364 5.430 -10.565 1.00 0.00 C ATOM 653 CG GLU A 43 0.429 5.031 -11.709 1.00 0.00 C ATOM 654 CD GLU A 43 -0.046 6.286 -12.444 1.00 0.00 C ATOM 655 OE1 GLU A 43 -0.309 7.273 -11.779 1.00 0.00 O ATOM 656 OE2 GLU A 43 -0.140 6.236 -13.659 1.00 0.00 O ATOM 0 H GLU A 43 2.326 6.871 -8.650 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.458 6.265 -9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.059 6.199 -10.901 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.962 4.573 -10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.947 4.366 -12.400 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.427 4.480 -11.318 1.00 0.00 H new ATOM 663 N TRP A 44 -0.446 3.843 -8.636 1.00 0.00 N ATOM 664 CA TRP A 44 -0.686 2.728 -7.659 1.00 0.00 C ATOM 665 C TRP A 44 -1.021 1.437 -8.402 1.00 0.00 C ATOM 666 O TRP A 44 -1.878 1.414 -9.265 1.00 0.00 O ATOM 667 CB TRP A 44 -1.898 3.169 -6.837 1.00 0.00 C ATOM 668 CG TRP A 44 -1.456 4.024 -5.704 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.298 5.366 -5.742 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.120 3.608 -4.359 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.875 5.798 -4.499 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.750 4.748 -3.612 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.100 2.358 -3.726 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.369 4.651 -2.278 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.716 2.255 -2.380 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.351 3.401 -1.659 1.00 0.00 C ATOM 0 H TRP A 44 -0.942 3.749 -9.522 1.00 0.00 H new ATOM 0 HA TRP A 44 0.192 2.537 -7.041 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.596 3.719 -7.468 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.430 2.296 -6.459 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.473 5.996 -6.601 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.680 6.772 -4.266 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.381 1.472 -4.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.089 5.536 -1.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.702 1.289 -1.897 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.056 3.316 -0.624 1.00 0.00 H new ATOM 687 N THR A 45 -0.360 0.362 -8.064 1.00 0.00 N ATOM 688 CA THR A 45 -0.649 -0.941 -8.744 1.00 0.00 C ATOM 689 C THR A 45 -0.563 -2.069 -7.725 1.00 0.00 C ATOM 690 O THR A 45 0.365 -2.133 -6.944 1.00 0.00 O ATOM 691 CB THR A 45 0.421 -1.128 -9.837 1.00 0.00 C ATOM 692 OG1 THR A 45 1.630 -1.592 -9.253 1.00 0.00 O ATOM 693 CG2 THR A 45 0.679 0.191 -10.564 1.00 0.00 C ATOM 0 H THR A 45 0.366 0.326 -7.349 1.00 0.00 H new ATOM 0 HA THR A 45 -1.647 -0.949 -9.182 1.00 0.00 H new ATOM 0 HB THR A 45 0.058 -1.862 -10.556 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.307 -1.710 -9.952 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.437 0.041 -11.332 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.244 0.537 -11.028 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.028 0.937 -9.851 1.00 0.00 H new ATOM 701 N TYR A 46 -1.517 -2.953 -7.734 1.00 0.00 N ATOM 702 CA TYR A 46 -1.495 -4.088 -6.765 1.00 0.00 C ATOM 703 C TYR A 46 -0.913 -5.338 -7.437 1.00 0.00 C ATOM 704 O TYR A 46 -1.143 -5.595 -8.604 1.00 0.00 O ATOM 705 CB TYR A 46 -2.960 -4.299 -6.352 1.00 0.00 C ATOM 706 CG TYR A 46 -3.089 -5.571 -5.538 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.329 -5.732 -4.375 1.00 0.00 C ATOM 708 CD2 TYR A 46 -3.953 -6.590 -5.957 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.434 -6.911 -3.628 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.058 -7.768 -5.209 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.298 -7.930 -4.044 1.00 0.00 C ATOM 712 OH TYR A 46 -3.402 -9.091 -3.308 1.00 0.00 O ATOM 0 H TYR A 46 -2.314 -2.942 -8.370 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.870 -3.884 -5.896 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.309 -3.447 -5.769 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.592 -4.359 -7.238 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.661 -4.947 -4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.538 -6.467 -6.857 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.848 -7.034 -2.730 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.726 -8.553 -5.531 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.046 -9.693 -3.736 1.00 0.00 H new ATOM 722 N ASP A 47 -0.171 -6.115 -6.694 1.00 0.00 N ATOM 723 CA ASP A 47 0.426 -7.358 -7.258 1.00 0.00 C ATOM 724 C ASP A 47 -0.193 -8.579 -6.574 1.00 0.00 C ATOM 725 O ASP A 47 0.209 -8.965 -5.492 1.00 0.00 O ATOM 726 CB ASP A 47 1.920 -7.261 -6.942 1.00 0.00 C ATOM 727 CG ASP A 47 2.715 -8.055 -7.981 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.765 -9.268 -7.858 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.259 -7.436 -8.881 1.00 0.00 O ATOM 0 H ASP A 47 0.048 -5.940 -5.713 1.00 0.00 H new ATOM 0 HA ASP A 47 0.248 -7.462 -8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.236 -6.218 -6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.117 -7.650 -5.943 1.00 0.00 H new ATOM 734 N ASP A 48 -1.171 -9.187 -7.202 1.00 0.00 N ATOM 735 CA ASP A 48 -1.831 -10.389 -6.595 1.00 0.00 C ATOM 736 C ASP A 48 -0.889 -11.604 -6.586 1.00 0.00 C ATOM 737 O ASP A 48 -1.205 -12.631 -6.014 1.00 0.00 O ATOM 738 CB ASP A 48 -3.056 -10.666 -7.475 1.00 0.00 C ATOM 739 CG ASP A 48 -2.615 -10.913 -8.923 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.183 -9.966 -9.560 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.717 -12.044 -9.367 1.00 0.00 O ATOM 0 H ASP A 48 -1.542 -8.904 -8.109 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.103 -10.208 -5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.597 -11.534 -7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.742 -9.820 -7.434 1.00 0.00 H new ATOM 746 N ALA A 49 0.260 -11.495 -7.203 1.00 0.00 N ATOM 747 CA ALA A 49 1.221 -12.635 -7.220 1.00 0.00 C ATOM 748 C ALA A 49 2.191 -12.509 -6.045 1.00 0.00 C ATOM 749 O ALA A 49 2.703 -13.491 -5.544 1.00 0.00 O ATOM 750 CB ALA A 49 1.964 -12.507 -8.551 1.00 0.00 C ATOM 0 H ALA A 49 0.574 -10.660 -7.698 1.00 0.00 H new ATOM 0 HA ALA A 49 0.727 -13.602 -7.126 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.693 -13.313 -8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.251 -12.570 -9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.479 -11.547 -8.590 1.00 0.00 H new ATOM 756 N THR A 50 2.433 -11.302 -5.595 1.00 0.00 N ATOM 757 CA THR A 50 3.353 -11.097 -4.442 1.00 0.00 C ATOM 758 C THR A 50 2.627 -10.350 -3.315 1.00 0.00 C ATOM 759 O THR A 50 3.227 -9.983 -2.324 1.00 0.00 O ATOM 760 CB THR A 50 4.497 -10.249 -4.997 1.00 0.00 C ATOM 761 OG1 THR A 50 3.974 -9.039 -5.526 1.00 0.00 O ATOM 762 CG2 THR A 50 5.215 -11.023 -6.103 1.00 0.00 C ATOM 0 H THR A 50 2.029 -10.449 -5.981 1.00 0.00 H new ATOM 0 HA THR A 50 3.709 -12.038 -4.023 1.00 0.00 H new ATOM 0 HB THR A 50 5.203 -10.021 -4.198 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.707 -8.494 -5.881 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.031 -10.419 -6.499 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.616 -11.952 -5.696 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.511 -11.251 -6.903 1.00 0.00 H new ATOM 770 N LYS A 51 1.334 -10.113 -3.460 1.00 0.00 N ATOM 771 CA LYS A 51 0.567 -9.381 -2.400 1.00 0.00 C ATOM 772 C LYS A 51 1.242 -8.043 -2.090 1.00 0.00 C ATOM 773 O LYS A 51 1.282 -7.603 -0.957 1.00 0.00 O ATOM 774 CB LYS A 51 0.584 -10.294 -1.168 1.00 0.00 C ATOM 775 CG LYS A 51 -0.093 -11.625 -1.505 1.00 0.00 C ATOM 776 CD LYS A 51 -1.605 -11.488 -1.320 1.00 0.00 C ATOM 777 CE LYS A 51 -2.256 -12.871 -1.398 1.00 0.00 C ATOM 778 NZ LYS A 51 -2.390 -13.311 0.018 1.00 0.00 N ATOM 0 H LYS A 51 0.782 -10.398 -4.269 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.452 -9.160 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.611 -10.468 -0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.067 -9.812 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.134 -11.911 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.293 -12.415 -0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.824 -11.025 -0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.019 -10.836 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.227 -12.823 -1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.642 -13.565 -1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.829 -14.253 0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.449 -13.353 0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.985 -12.634 0.537 1.00 0.00 H new ATOM 792 N THR A 52 1.781 -7.401 -3.095 1.00 0.00 N ATOM 793 CA THR A 52 2.465 -6.090 -2.868 1.00 0.00 C ATOM 794 C THR A 52 1.922 -5.024 -3.825 1.00 0.00 C ATOM 795 O THR A 52 1.619 -5.303 -4.969 1.00 0.00 O ATOM 796 CB THR A 52 3.942 -6.362 -3.154 1.00 0.00 C ATOM 797 OG1 THR A 52 4.320 -7.593 -2.552 1.00 0.00 O ATOM 798 CG2 THR A 52 4.793 -5.230 -2.581 1.00 0.00 C ATOM 0 H THR A 52 1.778 -7.726 -4.062 1.00 0.00 H new ATOM 0 HA THR A 52 2.303 -5.714 -1.858 1.00 0.00 H new ATOM 0 HB THR A 52 4.098 -6.420 -4.231 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.179 -8.325 -3.188 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.845 -5.426 -2.786 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.503 -4.287 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.639 -5.168 -1.504 1.00 0.00 H new ATOM 806 N PHE A 53 1.802 -3.803 -3.361 1.00 0.00 N ATOM 807 CA PHE A 53 1.283 -2.711 -4.241 1.00 0.00 C ATOM 808 C PHE A 53 2.462 -1.939 -4.860 1.00 0.00 C ATOM 809 O PHE A 53 3.595 -2.378 -4.779 1.00 0.00 O ATOM 810 CB PHE A 53 0.449 -1.818 -3.318 1.00 0.00 C ATOM 811 CG PHE A 53 -0.844 -2.522 -2.958 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.855 -3.494 -1.947 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.033 -2.201 -3.628 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.053 -4.142 -1.608 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.226 -2.848 -3.287 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.236 -3.816 -2.279 1.00 0.00 C ATOM 0 H PHE A 53 2.041 -3.517 -2.412 1.00 0.00 H new ATOM 0 HA PHE A 53 0.684 -3.084 -5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.012 -1.586 -2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.233 -0.870 -3.811 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.059 -3.744 -1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.028 -1.454 -4.408 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.061 -4.891 -0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.141 -2.599 -3.804 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.159 -4.313 -2.018 1.00 0.00 H new ATOM 826 N THR A 54 2.219 -0.797 -5.472 1.00 0.00 N ATOM 827 CA THR A 54 3.336 -0.021 -6.080 1.00 0.00 C ATOM 828 C THR A 54 2.902 1.430 -6.167 1.00 0.00 C ATOM 829 O THR A 54 2.272 1.844 -7.123 1.00 0.00 O ATOM 830 CB THR A 54 3.551 -0.603 -7.480 1.00 0.00 C ATOM 831 OG1 THR A 54 3.306 -2.004 -7.464 1.00 0.00 O ATOM 832 CG2 THR A 54 4.993 -0.344 -7.921 1.00 0.00 C ATOM 0 H THR A 54 1.295 -0.377 -5.572 1.00 0.00 H new ATOM 0 HA THR A 54 4.257 -0.078 -5.500 1.00 0.00 H new ATOM 0 HB THR A 54 2.862 -0.126 -8.177 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.793 -2.255 -8.260 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.149 -0.757 -8.917 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.180 0.730 -7.940 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.679 -0.819 -7.220 1.00 0.00 H new ATOM 840 N VAL A 55 3.214 2.191 -5.162 1.00 0.00 N ATOM 841 CA VAL A 55 2.796 3.622 -5.159 1.00 0.00 C ATOM 842 C VAL A 55 3.907 4.517 -5.714 1.00 0.00 C ATOM 843 O VAL A 55 4.917 4.757 -5.079 1.00 0.00 O ATOM 844 CB VAL A 55 2.430 3.978 -3.698 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.538 3.565 -2.725 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.191 5.487 -3.575 1.00 0.00 C ATOM 0 H VAL A 55 3.739 1.889 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 55 1.935 3.784 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 55 1.523 3.431 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.247 3.830 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.695 2.488 -2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.462 4.082 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.934 5.732 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.096 6.023 -3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.373 5.781 -4.233 1.00 0.00 H new ATOM 856 N THR A 56 3.695 5.028 -6.893 1.00 0.00 N ATOM 857 CA THR A 56 4.689 5.937 -7.516 1.00 0.00 C ATOM 858 C THR A 56 4.350 7.373 -7.088 1.00 0.00 C ATOM 859 O THR A 56 3.306 7.618 -6.513 1.00 0.00 O ATOM 860 CB THR A 56 4.511 5.700 -9.034 1.00 0.00 C ATOM 861 OG1 THR A 56 5.291 4.579 -9.420 1.00 0.00 O ATOM 862 CG2 THR A 56 4.951 6.922 -9.853 1.00 0.00 C ATOM 0 H THR A 56 2.864 4.851 -7.457 1.00 0.00 H new ATOM 0 HA THR A 56 5.725 5.763 -7.224 1.00 0.00 H new ATOM 0 HB THR A 56 3.453 5.523 -9.230 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.191 4.877 -9.668 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.811 6.718 -10.915 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.351 7.786 -9.568 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.003 7.130 -9.659 1.00 0.00 H new ATOM 870 N GLU A 57 5.221 8.312 -7.357 1.00 0.00 N ATOM 871 CA GLU A 57 4.944 9.725 -6.960 1.00 0.00 C ATOM 872 C GLU A 57 5.309 10.676 -8.104 1.00 0.00 C ATOM 873 O GLU A 57 4.401 11.235 -8.696 1.00 0.00 O ATOM 874 CB GLU A 57 5.836 9.978 -5.743 1.00 0.00 C ATOM 875 CG GLU A 57 5.523 11.357 -5.151 1.00 0.00 C ATOM 876 CD GLU A 57 6.583 12.366 -5.601 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.585 12.489 -4.915 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.374 12.999 -6.622 1.00 0.00 O ATOM 879 OXT GLU A 57 6.491 10.831 -8.365 1.00 0.00 O ATOM 0 H GLU A 57 6.110 8.162 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 57 3.891 9.892 -6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.673 9.204 -4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.886 9.925 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.535 11.686 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.501 11.299 -4.063 1.00 0.00 H new TER 886 GLU A 57