USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 704 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 12 HIS :FLIP no HD1:sc= -3.91! C(o=-11!,f=-8.5!) USER MOD Set 1.2: A 37 MET CE :methyl -149:sc= -4.59! (180deg=-6.62!) USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0.119 USER MOD Set 2.2: A 10 ASN : amide:sc= -0.554 X(o=-0.43,f=-0.03) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0603 (180deg=-0.345) USER MOD Single : A 1 MET N :NH3+ 136:sc= -3.74! (180deg=-6.55!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -22:sc= -2.46! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 1.13 K(o=1.1,f=-0.046) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 84:sc= 1.14 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.996 F(o=-2.2!,f=-1) USER MOD Single : A 35 ASN : amide:sc= -0.44 K(o=-0.44,f=-6.5!) USER MOD Single : A 40 LYS NZ :NH3+ 141:sc= 0.0444 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= 0.0572 (180deg=0.0197) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -119:sc= 1.09 (180deg=-0.393) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 60 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.26) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 171:sc= -1.16 (180deg=-1.34) USER MOD Single : A 67 GLN : amide:sc= -6.34! C(o=-6.3!,f=-12!) USER MOD Single : A 74 SER OG : rot 48:sc= 0.825 USER MOD Single : A 75 HIS : no HE2:sc= -6.12! C(o=-6.1!,f=-12!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000846) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.966 1.065 -5.233 1.00 0.00 N ATOM 2 CA MET A 1 -10.928 0.000 -5.157 1.00 0.00 C ATOM 3 C MET A 1 -9.709 0.455 -4.364 1.00 0.00 C ATOM 4 O MET A 1 -9.156 1.523 -4.619 1.00 0.00 O ATOM 5 CB MET A 1 -10.537 -0.364 -6.586 1.00 0.00 C ATOM 6 CG MET A 1 -9.368 -1.317 -6.718 1.00 0.00 C ATOM 7 SD MET A 1 -8.667 -1.308 -8.378 1.00 0.00 S ATOM 8 CE MET A 1 -10.118 -1.667 -9.363 1.00 0.00 C ATOM 0 H1 MET A 1 -12.335 1.121 -6.204 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.743 0.840 -4.580 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.546 1.979 -4.969 1.00 0.00 H new ATOM 0 HA MET A 1 -11.330 -0.868 -4.634 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.402 -0.807 -7.079 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.298 0.553 -7.124 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.596 -1.045 -5.998 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.694 -2.327 -6.469 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.814 -1.922 -10.378 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.657 -2.506 -8.924 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.767 -0.791 -9.388 1.00 0.00 H new ATOM 20 N PHE A 2 -9.297 -0.357 -3.398 1.00 0.00 N ATOM 21 CA PHE A 2 -8.145 -0.024 -2.574 1.00 0.00 C ATOM 22 C PHE A 2 -6.874 -0.037 -3.408 1.00 0.00 C ATOM 23 O PHE A 2 -6.779 -0.751 -4.407 1.00 0.00 O ATOM 24 CB PHE A 2 -8.011 -0.999 -1.403 1.00 0.00 C ATOM 25 CG PHE A 2 -9.049 -0.811 -0.333 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.280 -1.439 -0.426 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.791 -0.011 0.768 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.234 -1.272 0.559 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.741 0.158 1.757 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.965 -0.473 1.652 1.00 0.00 C ATOM 0 H PHE A 2 -9.742 -1.246 -3.168 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.296 0.978 -2.174 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -8.075 -2.019 -1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -7.022 -0.886 -0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.496 -2.066 -1.278 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.836 0.486 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.190 -1.767 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.527 0.783 2.611 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.710 -0.342 2.423 1.00 0.00 H new ATOM 40 N LYS A 3 -5.901 0.758 -2.992 1.00 0.00 N ATOM 41 CA LYS A 3 -4.631 0.846 -3.696 1.00 0.00 C ATOM 42 C LYS A 3 -3.479 0.598 -2.735 1.00 0.00 C ATOM 43 O LYS A 3 -3.358 1.274 -1.715 1.00 0.00 O ATOM 44 CB LYS A 3 -4.484 2.224 -4.342 1.00 0.00 C ATOM 45 CG LYS A 3 -5.021 2.294 -5.762 1.00 0.00 C ATOM 46 CD LYS A 3 -6.498 2.655 -5.779 1.00 0.00 C ATOM 47 CE LYS A 3 -6.821 3.637 -6.894 1.00 0.00 C ATOM 48 NZ LYS A 3 -8.288 3.845 -7.042 1.00 0.00 N ATOM 0 H LYS A 3 -5.967 1.354 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.609 0.084 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.005 2.960 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.430 2.502 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.457 3.034 -6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.874 1.334 -6.256 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.093 1.751 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.778 3.088 -4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.338 4.592 -6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.410 3.268 -7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.467 4.521 -7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.747 2.938 -7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.677 4.221 -6.154 1.00 0.00 H new ATOM 62 N VAL A 4 -2.634 -0.374 -3.053 1.00 0.00 N ATOM 63 CA VAL A 4 -1.501 -0.687 -2.195 1.00 0.00 C ATOM 64 C VAL A 4 -0.202 -0.145 -2.767 1.00 0.00 C ATOM 65 O VAL A 4 0.112 -0.345 -3.939 1.00 0.00 O ATOM 66 CB VAL A 4 -1.346 -2.206 -1.959 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.050 -2.537 -1.451 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.381 -2.702 -0.972 1.00 0.00 C ATOM 0 H VAL A 4 -2.710 -0.953 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.709 -0.204 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.499 -2.708 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.134 -3.612 -1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.789 -2.220 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.228 -2.017 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.254 -3.774 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.255 -2.183 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.380 -2.506 -1.363 1.00 0.00 H new ATOM 78 N TYR A 5 0.564 0.514 -1.910 1.00 0.00 N ATOM 79 CA TYR A 5 1.850 1.062 -2.296 1.00 0.00 C ATOM 80 C TYR A 5 2.951 0.255 -1.635 1.00 0.00 C ATOM 81 O TYR A 5 3.258 0.452 -0.463 1.00 0.00 O ATOM 82 CB TYR A 5 1.971 2.528 -1.873 1.00 0.00 C ATOM 83 CG TYR A 5 1.248 3.494 -2.782 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.028 3.217 -3.254 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.845 4.687 -3.162 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.688 4.105 -4.083 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.191 5.578 -3.989 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.074 5.283 -4.446 1.00 0.00 C ATOM 89 OH TYR A 5 -0.729 6.169 -5.269 1.00 0.00 O ATOM 0 H TYR A 5 0.312 0.681 -0.936 1.00 0.00 H new ATOM 0 HA TYR A 5 1.941 1.009 -3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.580 2.636 -0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.026 2.799 -1.838 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.512 2.294 -2.969 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.837 4.922 -2.805 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.680 3.876 -4.444 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.669 6.503 -4.276 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.159 6.950 -5.428 1.00 0.00 H new ATOM 99 N GLY A 6 3.535 -0.668 -2.380 1.00 0.00 N ATOM 100 CA GLY A 6 4.583 -1.489 -1.822 1.00 0.00 C ATOM 101 C GLY A 6 5.470 -2.088 -2.885 1.00 0.00 C ATOM 102 O GLY A 6 5.857 -1.408 -3.835 1.00 0.00 O ATOM 0 H GLY A 6 3.304 -0.862 -3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.189 -0.889 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.138 -2.289 -1.230 1.00 0.00 H new ATOM 106 N TYR A 7 5.820 -3.356 -2.716 1.00 0.00 N ATOM 107 CA TYR A 7 6.689 -4.033 -3.649 1.00 0.00 C ATOM 108 C TYR A 7 6.085 -5.362 -4.107 1.00 0.00 C ATOM 109 O TYR A 7 5.811 -6.239 -3.289 1.00 0.00 O ATOM 110 CB TYR A 7 8.029 -4.257 -2.978 1.00 0.00 C ATOM 111 CG TYR A 7 8.588 -2.981 -2.394 1.00 0.00 C ATOM 112 CD1 TYR A 7 7.958 -2.373 -1.319 1.00 0.00 C ATOM 113 CD2 TYR A 7 9.705 -2.358 -2.936 1.00 0.00 C ATOM 114 CE1 TYR A 7 8.426 -1.192 -0.793 1.00 0.00 C ATOM 115 CE2 TYR A 7 10.174 -1.170 -2.415 1.00 0.00 C ATOM 116 CZ TYR A 7 9.533 -0.590 -1.343 1.00 0.00 C ATOM 117 OH TYR A 7 9.998 0.597 -0.824 1.00 0.00 O ATOM 0 H TYR A 7 5.510 -3.933 -1.934 1.00 0.00 H new ATOM 0 HA TYR A 7 6.816 -3.416 -4.539 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.920 -5.000 -2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.734 -4.664 -3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.083 -2.836 -0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.213 -2.809 -3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.925 -0.739 0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 7 11.043 -0.695 -2.847 1.00 0.00 H new ATOM 0 HH TYR A 7 9.274 1.051 -0.345 1.00 0.00 H new ATOM 127 N ASP A 8 5.870 -5.509 -5.414 1.00 0.00 N ATOM 128 CA ASP A 8 5.288 -6.738 -5.956 1.00 0.00 C ATOM 129 C ASP A 8 6.253 -7.447 -6.905 1.00 0.00 C ATOM 130 O ASP A 8 6.017 -7.503 -8.112 1.00 0.00 O ATOM 131 CB ASP A 8 3.977 -6.426 -6.688 1.00 0.00 C ATOM 132 CG ASP A 8 2.783 -7.134 -6.074 1.00 0.00 C ATOM 133 OD1 ASP A 8 2.969 -7.861 -5.075 1.00 0.00 O ATOM 134 OD2 ASP A 8 1.662 -6.963 -6.596 1.00 0.00 O ATOM 0 H ASP A 8 6.088 -4.799 -6.113 1.00 0.00 H new ATOM 0 HA ASP A 8 5.087 -7.405 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.804 -5.350 -6.673 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.070 -6.719 -7.734 1.00 0.00 H new ATOM 139 N SER A 9 7.335 -7.999 -6.360 1.00 0.00 N ATOM 140 CA SER A 9 8.315 -8.710 -7.179 1.00 0.00 C ATOM 141 C SER A 9 9.494 -9.211 -6.345 1.00 0.00 C ATOM 142 O SER A 9 9.485 -9.127 -5.117 1.00 0.00 O ATOM 143 CB SER A 9 8.826 -7.806 -8.302 1.00 0.00 C ATOM 144 OG SER A 9 9.739 -8.495 -9.138 1.00 0.00 O ATOM 0 H SER A 9 7.555 -7.969 -5.364 1.00 0.00 H new ATOM 0 HA SER A 9 7.812 -9.576 -7.609 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.985 -7.447 -8.895 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.311 -6.929 -7.874 1.00 0.00 H new ATOM 0 HG SER A 9 10.049 -7.895 -9.848 1.00 0.00 H new ATOM 150 N ASN A 10 10.508 -9.722 -7.037 1.00 0.00 N ATOM 151 CA ASN A 10 11.717 -10.235 -6.404 1.00 0.00 C ATOM 152 C ASN A 10 12.730 -9.117 -6.184 1.00 0.00 C ATOM 153 O ASN A 10 13.863 -9.367 -5.775 1.00 0.00 O ATOM 154 CB ASN A 10 12.341 -11.337 -7.258 1.00 0.00 C ATOM 155 CG ASN A 10 12.735 -10.840 -8.635 1.00 0.00 C ATOM 156 OD1 ASN A 10 13.864 -10.401 -8.848 1.00 0.00 O ATOM 157 ND2 ASN A 10 11.800 -10.903 -9.576 1.00 0.00 N ATOM 0 H ASN A 10 10.514 -9.792 -8.055 1.00 0.00 H new ATOM 0 HA ASN A 10 11.439 -10.650 -5.435 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.221 -11.733 -6.751 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.634 -12.160 -7.359 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.005 -10.579 -10.521 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.877 -11.275 -9.353 1.00 0.00 H new ATOM 164 N ILE A 11 12.310 -7.883 -6.441 1.00 0.00 N ATOM 165 CA ILE A 11 13.173 -6.732 -6.248 1.00 0.00 C ATOM 166 C ILE A 11 13.047 -6.256 -4.817 1.00 0.00 C ATOM 167 O ILE A 11 13.894 -5.520 -4.309 1.00 0.00 O ATOM 168 CB ILE A 11 12.807 -5.553 -7.177 1.00 0.00 C ATOM 169 CG1 ILE A 11 12.076 -6.035 -8.432 1.00 0.00 C ATOM 170 CG2 ILE A 11 14.053 -4.773 -7.554 1.00 0.00 C ATOM 171 CD1 ILE A 11 12.867 -7.020 -9.260 1.00 0.00 C ATOM 0 H ILE A 11 11.376 -7.658 -6.784 1.00 0.00 H new ATOM 0 HA ILE A 11 14.189 -7.048 -6.483 1.00 0.00 H new ATOM 0 HB ILE A 11 12.130 -4.895 -6.632 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.134 -6.497 -8.137 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.828 -5.172 -9.050 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.780 -3.945 -8.209 1.00 0.00 H new ATOM 0 HG22 ILE A 11 14.524 -4.382 -6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 11 14.751 -5.431 -8.072 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.283 -7.315 -10.132 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.797 -6.556 -9.587 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.093 -7.901 -8.660 1.00 0.00 H new ATOM 183 N HIS A 12 11.972 -6.690 -4.170 1.00 0.00 N ATOM 184 CA HIS A 12 11.717 -6.313 -2.795 1.00 0.00 C ATOM 185 C HIS A 12 10.649 -7.216 -2.208 1.00 0.00 C ATOM 186 O HIS A 12 9.548 -7.337 -2.742 1.00 0.00 O ATOM 187 CB HIS A 12 11.294 -4.855 -2.754 1.00 0.00 C ATOM 188 CG HIS A 12 11.486 -4.163 -1.447 1.00 0.00 C ATOM 189 ND1 HIS A 12 12.453 -3.303 -1.063 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 10.639 -4.285 -0.378 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 12.215 -2.895 0.248 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 11.109 -3.515 0.614 1.00 0.00 N flip ATOM 0 H HIS A 12 11.267 -7.302 -4.579 1.00 0.00 H new ATOM 0 HA HIS A 12 12.620 -6.430 -2.196 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.852 -4.312 -3.517 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.240 -4.794 -3.025 1.00 0.00 H new ATOM 0 HD2 HIS A 12 9.748 -4.895 -0.340 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.810 -2.215 0.840 1.00 0.00 H new ATOM 0 HE2 HIS A 12 10.670 -3.421 1.530 1.00 0.00 H new ATOM 200 N LYS A 13 11.005 -7.872 -1.127 1.00 0.00 N ATOM 201 CA LYS A 13 10.103 -8.813 -0.466 1.00 0.00 C ATOM 202 C LYS A 13 9.046 -8.101 0.365 1.00 0.00 C ATOM 203 O LYS A 13 9.246 -6.976 0.823 1.00 0.00 O ATOM 204 CB LYS A 13 10.890 -9.791 0.410 1.00 0.00 C ATOM 205 CG LYS A 13 11.604 -9.140 1.580 1.00 0.00 C ATOM 206 CD LYS A 13 12.183 -10.186 2.520 1.00 0.00 C ATOM 207 CE LYS A 13 11.267 -10.439 3.706 1.00 0.00 C ATOM 208 NZ LYS A 13 11.815 -9.861 4.964 1.00 0.00 N ATOM 0 H LYS A 13 11.916 -7.777 -0.678 1.00 0.00 H new ATOM 0 HA LYS A 13 9.589 -9.370 -1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.207 -10.550 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.625 -10.306 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.403 -8.497 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.908 -8.502 2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.341 -11.117 1.976 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.159 -9.856 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.286 -10.008 3.506 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.124 -11.512 3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.161 -10.055 5.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.740 -10.291 5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.928 -8.833 4.853 1.00 0.00 H new ATOM 222 N CYS A 14 7.913 -8.772 0.551 1.00 0.00 N ATOM 223 CA CYS A 14 6.807 -8.222 1.322 1.00 0.00 C ATOM 224 C CYS A 14 5.872 -9.330 1.801 1.00 0.00 C ATOM 225 O CYS A 14 4.972 -9.752 1.076 1.00 0.00 O ATOM 226 CB CYS A 14 6.022 -7.219 0.478 1.00 0.00 C ATOM 227 SG CYS A 14 4.707 -6.352 1.389 1.00 0.00 S ATOM 0 H CYS A 14 7.738 -9.704 0.175 1.00 0.00 H new ATOM 0 HA CYS A 14 7.223 -7.715 2.193 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.714 -6.482 0.071 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.579 -7.742 -0.370 1.00 0.00 H new ATOM 232 N VAL A 15 6.086 -9.792 3.030 1.00 0.00 N ATOM 233 CA VAL A 15 5.255 -10.844 3.600 1.00 0.00 C ATOM 234 C VAL A 15 3.889 -10.292 3.997 1.00 0.00 C ATOM 235 O VAL A 15 2.870 -10.972 3.871 1.00 0.00 O ATOM 236 CB VAL A 15 5.914 -11.484 4.840 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.093 -12.358 4.436 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.351 -10.414 5.831 1.00 0.00 C ATOM 0 H VAL A 15 6.825 -9.455 3.647 1.00 0.00 H new ATOM 0 HA VAL A 15 5.138 -11.608 2.832 1.00 0.00 H new ATOM 0 HB VAL A 15 5.174 -12.118 5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.541 -12.798 5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.747 -13.152 3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.836 -11.751 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.813 -10.887 6.697 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.071 -9.749 5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.483 -9.839 6.152 1.00 0.00 H new ATOM 248 N TYR A 16 3.881 -9.051 4.479 1.00 0.00 N ATOM 249 CA TYR A 16 2.647 -8.396 4.902 1.00 0.00 C ATOM 250 C TYR A 16 1.709 -8.155 3.724 1.00 0.00 C ATOM 251 O TYR A 16 0.508 -7.956 3.910 1.00 0.00 O ATOM 252 CB TYR A 16 2.960 -7.069 5.595 1.00 0.00 C ATOM 253 CG TYR A 16 3.255 -7.214 7.069 1.00 0.00 C ATOM 254 CD1 TYR A 16 2.225 -7.243 8.000 1.00 0.00 C ATOM 255 CD2 TYR A 16 4.561 -7.329 7.530 1.00 0.00 C ATOM 256 CE1 TYR A 16 2.487 -7.381 9.349 1.00 0.00 C ATOM 257 CE2 TYR A 16 4.831 -7.469 8.877 1.00 0.00 C ATOM 258 CZ TYR A 16 3.792 -7.494 9.782 1.00 0.00 C ATOM 259 OH TYR A 16 4.057 -7.634 11.125 1.00 0.00 O ATOM 0 H TYR A 16 4.718 -8.478 4.586 1.00 0.00 H new ATOM 0 HA TYR A 16 2.145 -9.061 5.605 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.816 -6.605 5.105 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.115 -6.393 5.467 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.202 -7.156 7.664 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.378 -7.309 6.824 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.675 -7.400 10.061 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.851 -7.558 9.220 1.00 0.00 H new ATOM 0 HH TYR A 16 5.025 -7.702 11.262 1.00 0.00 H new ATOM 269 N CYS A 17 2.259 -8.164 2.515 1.00 0.00 N ATOM 270 CA CYS A 17 1.461 -7.939 1.318 1.00 0.00 C ATOM 271 C CYS A 17 0.483 -9.087 1.096 1.00 0.00 C ATOM 272 O CYS A 17 -0.731 -8.890 1.093 1.00 0.00 O ATOM 273 CB CYS A 17 2.367 -7.778 0.096 1.00 0.00 C ATOM 274 SG CYS A 17 3.223 -6.172 0.018 1.00 0.00 S ATOM 0 H CYS A 17 3.251 -8.324 2.339 1.00 0.00 H new ATOM 0 HA CYS A 17 0.890 -7.021 1.458 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.110 -8.575 0.100 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.769 -7.904 -0.807 1.00 0.00 H new ATOM 279 N ASP A 18 1.021 -10.290 0.917 1.00 0.00 N ATOM 280 CA ASP A 18 0.194 -11.473 0.696 1.00 0.00 C ATOM 281 C ASP A 18 -0.854 -11.626 1.795 1.00 0.00 C ATOM 282 O ASP A 18 -2.012 -11.945 1.526 1.00 0.00 O ATOM 283 CB ASP A 18 1.066 -12.729 0.636 1.00 0.00 C ATOM 284 CG ASP A 18 0.575 -13.722 -0.398 1.00 0.00 C ATOM 285 OD1 ASP A 18 0.964 -13.592 -1.577 1.00 0.00 O ATOM 286 OD2 ASP A 18 -0.203 -14.629 -0.030 1.00 0.00 O ATOM 0 H ASP A 18 2.025 -10.472 0.921 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.321 -11.346 -0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.093 -12.445 0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.080 -13.206 1.616 1.00 0.00 H new ATOM 291 N ASN A 19 -0.436 -11.398 3.036 1.00 0.00 N ATOM 292 CA ASN A 19 -1.334 -11.511 4.181 1.00 0.00 C ATOM 293 C ASN A 19 -2.479 -10.509 4.081 1.00 0.00 C ATOM 294 O ASN A 19 -3.651 -10.878 4.188 1.00 0.00 O ATOM 295 CB ASN A 19 -0.563 -11.293 5.485 1.00 0.00 C ATOM 296 CG ASN A 19 0.199 -12.531 5.914 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.265 -13.297 6.761 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.372 -12.735 5.329 1.00 0.00 N ATOM 0 H ASN A 19 0.520 -11.134 3.275 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.756 -12.516 4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.134 -10.465 5.359 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.259 -11.006 6.273 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.929 -13.553 5.575 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.717 -12.074 4.633 1.00 0.00 H new ATOM 305 N ALA A 20 -2.137 -9.240 3.888 1.00 0.00 N ATOM 306 CA ALA A 20 -3.142 -8.192 3.779 1.00 0.00 C ATOM 307 C ALA A 20 -4.097 -8.470 2.625 1.00 0.00 C ATOM 308 O ALA A 20 -5.315 -8.435 2.792 1.00 0.00 O ATOM 309 CB ALA A 20 -2.478 -6.833 3.611 1.00 0.00 C ATOM 0 H ALA A 20 -1.174 -8.914 3.804 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.723 -8.181 4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.244 -6.061 3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.845 -6.628 4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.869 -6.835 2.707 1.00 0.00 H new ATOM 315 N LYS A 21 -3.538 -8.763 1.456 1.00 0.00 N ATOM 316 CA LYS A 21 -4.343 -9.060 0.275 1.00 0.00 C ATOM 317 C LYS A 21 -5.405 -10.109 0.599 1.00 0.00 C ATOM 318 O LYS A 21 -6.503 -10.090 0.042 1.00 0.00 O ATOM 319 CB LYS A 21 -3.443 -9.555 -0.861 1.00 0.00 C ATOM 320 CG LYS A 21 -4.201 -9.954 -2.117 1.00 0.00 C ATOM 321 CD LYS A 21 -3.595 -11.186 -2.767 1.00 0.00 C ATOM 322 CE LYS A 21 -4.605 -11.904 -3.649 1.00 0.00 C ATOM 323 NZ LYS A 21 -4.365 -13.372 -3.686 1.00 0.00 N ATOM 0 H LYS A 21 -2.531 -8.801 1.300 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.846 -8.146 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.728 -8.772 -1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.867 -10.411 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.244 -10.149 -1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.193 -9.126 -2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.730 -10.896 -3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.236 -11.867 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.612 -11.710 -3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.554 -11.502 -4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.074 -13.824 -4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.414 -13.559 -4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.439 -13.760 -2.724 1.00 0.00 H new ATOM 337 N ARG A 22 -5.070 -11.020 1.509 1.00 0.00 N ATOM 338 CA ARG A 22 -5.994 -12.075 1.913 1.00 0.00 C ATOM 339 C ARG A 22 -7.154 -11.495 2.716 1.00 0.00 C ATOM 340 O ARG A 22 -8.300 -11.918 2.568 1.00 0.00 O ATOM 341 CB ARG A 22 -5.264 -13.133 2.742 1.00 0.00 C ATOM 342 CG ARG A 22 -6.141 -14.308 3.142 1.00 0.00 C ATOM 343 CD ARG A 22 -6.042 -15.445 2.139 1.00 0.00 C ATOM 344 NE ARG A 22 -7.041 -15.328 1.079 1.00 0.00 N ATOM 345 CZ ARG A 22 -7.168 -16.199 0.080 1.00 0.00 C ATOM 346 NH1 ARG A 22 -6.363 -17.252 0.000 1.00 0.00 N ATOM 347 NH2 ARG A 22 -8.103 -16.015 -0.843 1.00 0.00 N ATOM 0 H ARG A 22 -4.166 -11.049 1.980 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.392 -12.543 1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.412 -13.504 2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.866 -12.665 3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.845 -14.665 4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.177 -13.980 3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.045 -15.454 1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.171 -16.396 2.655 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.679 -14.532 1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.642 -17.398 0.707 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.466 -17.915 -0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.723 -15.207 -0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.202 -16.681 -1.609 1.00 0.00 H new ATOM 361 N LEU A 23 -6.845 -10.516 3.562 1.00 0.00 N ATOM 362 CA LEU A 23 -7.858 -9.864 4.384 1.00 0.00 C ATOM 363 C LEU A 23 -8.946 -9.249 3.510 1.00 0.00 C ATOM 364 O LEU A 23 -10.132 -9.522 3.690 1.00 0.00 O ATOM 365 CB LEU A 23 -7.208 -8.785 5.259 1.00 0.00 C ATOM 366 CG LEU A 23 -8.156 -7.704 5.788 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.627 -7.121 7.085 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.341 -6.605 4.750 1.00 0.00 C ATOM 0 H LEU A 23 -5.900 -10.157 3.696 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.318 -10.614 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.729 -9.271 6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.419 -8.301 4.683 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.125 -8.162 5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.313 -6.355 7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.541 -7.911 7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.647 -6.677 6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.017 -5.845 5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.376 -6.151 4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.762 -7.031 3.840 1.00 0.00 H new ATOM 380 N LEU A 24 -8.528 -8.416 2.564 1.00 0.00 N ATOM 381 CA LEU A 24 -9.462 -7.757 1.661 1.00 0.00 C ATOM 382 C LEU A 24 -10.348 -8.776 0.956 1.00 0.00 C ATOM 383 O LEU A 24 -11.558 -8.586 0.840 1.00 0.00 O ATOM 384 CB LEU A 24 -8.701 -6.917 0.636 1.00 0.00 C ATOM 385 CG LEU A 24 -8.066 -5.647 1.201 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.723 -5.381 0.544 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.993 -4.459 1.011 1.00 0.00 C ATOM 0 H LEU A 24 -7.548 -8.181 2.403 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.102 -7.101 2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.919 -7.532 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.384 -6.640 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.903 -5.792 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.288 -4.472 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.054 -6.222 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.861 -5.258 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.525 -3.563 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.187 -4.315 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.934 -4.645 1.529 1.00 0.00 H new ATOM 399 N THR A 25 -9.742 -9.869 0.499 1.00 0.00 N ATOM 400 CA THR A 25 -10.487 -10.923 -0.176 1.00 0.00 C ATOM 401 C THR A 25 -11.576 -11.463 0.745 1.00 0.00 C ATOM 402 O THR A 25 -12.653 -11.852 0.294 1.00 0.00 O ATOM 403 CB THR A 25 -9.550 -12.053 -0.601 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.332 -11.533 -1.104 1.00 0.00 O ATOM 405 CG2 THR A 25 -10.141 -12.952 -1.665 1.00 0.00 C ATOM 0 H THR A 25 -8.741 -10.046 0.584 1.00 0.00 H new ATOM 0 HA THR A 25 -10.951 -10.505 -1.069 1.00 0.00 H new ATOM 0 HB THR A 25 -9.384 -12.644 0.299 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.725 -11.342 -0.359 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.424 -13.733 -1.921 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.056 -13.409 -1.288 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.369 -12.363 -2.553 1.00 0.00 H new ATOM 413 N VAL A 26 -11.282 -11.468 2.042 1.00 0.00 N ATOM 414 CA VAL A 26 -12.225 -11.944 3.047 1.00 0.00 C ATOM 415 C VAL A 26 -13.280 -10.882 3.343 1.00 0.00 C ATOM 416 O VAL A 26 -14.422 -11.200 3.676 1.00 0.00 O ATOM 417 CB VAL A 26 -11.501 -12.315 4.355 1.00 0.00 C ATOM 418 CG1 VAL A 26 -12.471 -12.917 5.360 1.00 0.00 C ATOM 419 CG2 VAL A 26 -10.352 -13.274 4.077 1.00 0.00 C ATOM 0 H VAL A 26 -10.392 -11.145 2.423 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.709 -12.834 2.644 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.091 -11.402 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.936 -13.171 6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.255 -12.195 5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.918 -13.818 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.853 -13.525 5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.740 -14.183 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.639 -12.802 3.401 1.00 0.00 H new ATOM 429 N LYS A 27 -12.887 -9.618 3.214 1.00 0.00 N ATOM 430 CA LYS A 27 -13.792 -8.502 3.462 1.00 0.00 C ATOM 431 C LYS A 27 -14.692 -8.242 2.252 1.00 0.00 C ATOM 432 O LYS A 27 -15.636 -7.457 2.333 1.00 0.00 O ATOM 433 CB LYS A 27 -12.994 -7.238 3.795 1.00 0.00 C ATOM 434 CG LYS A 27 -12.875 -6.960 5.286 1.00 0.00 C ATOM 435 CD LYS A 27 -11.541 -7.436 5.839 1.00 0.00 C ATOM 436 CE LYS A 27 -11.691 -8.002 7.241 1.00 0.00 C ATOM 437 NZ LYS A 27 -12.257 -9.379 7.226 1.00 0.00 N ATOM 0 H LYS A 27 -11.945 -9.341 2.938 1.00 0.00 H new ATOM 0 HA LYS A 27 -14.424 -8.764 4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.994 -7.329 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.468 -6.383 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.984 -5.891 5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.688 -7.458 5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.124 -8.198 5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.835 -6.606 5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.719 -8.014 7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.337 -7.350 7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.344 -9.729 8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.196 -9.364 6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.627 -10.007 6.687 1.00 0.00 H new ATOM 451 N LYS A 28 -14.391 -8.899 1.132 1.00 0.00 N ATOM 452 CA LYS A 28 -15.172 -8.728 -0.090 1.00 0.00 C ATOM 453 C LYS A 28 -15.048 -7.300 -0.611 1.00 0.00 C ATOM 454 O LYS A 28 -16.045 -6.598 -0.785 1.00 0.00 O ATOM 455 CB LYS A 28 -16.643 -9.072 0.160 1.00 0.00 C ATOM 456 CG LYS A 28 -16.862 -10.500 0.633 1.00 0.00 C ATOM 457 CD LYS A 28 -17.279 -11.408 -0.514 1.00 0.00 C ATOM 458 CE LYS A 28 -16.851 -12.846 -0.269 1.00 0.00 C ATOM 459 NZ LYS A 28 -16.921 -13.665 -1.510 1.00 0.00 N ATOM 0 H LYS A 28 -13.613 -9.553 1.047 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.777 -9.409 -0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.047 -8.386 0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.206 -8.912 -0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.945 -10.880 1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.629 -10.515 1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.361 -11.365 -0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.837 -11.049 -1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.832 -12.861 0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.489 -13.290 0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.621 -14.639 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.898 -13.672 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.293 -13.257 -2.231 1.00 0.00 H new ATOM 473 N GLN A 29 -13.813 -6.876 -0.855 1.00 0.00 N ATOM 474 CA GLN A 29 -13.551 -5.532 -1.347 1.00 0.00 C ATOM 475 C GLN A 29 -12.582 -5.558 -2.527 1.00 0.00 C ATOM 476 O GLN A 29 -11.519 -6.171 -2.448 1.00 0.00 O ATOM 477 CB GLN A 29 -12.967 -4.671 -0.223 1.00 0.00 C ATOM 478 CG GLN A 29 -14.018 -3.940 0.600 1.00 0.00 C ATOM 479 CD GLN A 29 -14.854 -2.981 -0.224 1.00 0.00 C ATOM 480 OE1 GLN A 29 -14.197 -2.191 -1.067 1.00 0.00 O flip ATOM 481 NE2 GLN A 29 -16.080 -2.946 -0.102 1.00 0.00 N flip ATOM 0 H GLN A 29 -12.978 -7.446 -0.719 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.495 -5.104 -1.685 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.377 -5.305 0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.284 -3.940 -0.656 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.674 -4.671 1.073 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.525 -3.388 1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.545 -3.570 0.557 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.630 -2.293 -0.660 1.00 0.00 H new ATOM 490 N PRO A 30 -12.923 -4.874 -3.636 1.00 0.00 N ATOM 491 CA PRO A 30 -12.056 -4.814 -4.814 1.00 0.00 C ATOM 492 C PRO A 30 -10.864 -3.904 -4.565 1.00 0.00 C ATOM 493 O PRO A 30 -11.011 -2.840 -3.967 1.00 0.00 O ATOM 494 CB PRO A 30 -12.965 -4.216 -5.885 1.00 0.00 C ATOM 495 CG PRO A 30 -13.898 -3.351 -5.115 1.00 0.00 C ATOM 496 CD PRO A 30 -14.159 -4.087 -3.828 1.00 0.00 C ATOM 0 HA PRO A 30 -11.643 -5.785 -5.087 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.397 -3.641 -6.616 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.499 -4.991 -6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.459 -2.372 -4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.823 -3.184 -5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.333 -3.401 -2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.038 -4.728 -3.901 1.00 0.00 H new ATOM 504 N PHE A 31 -9.686 -4.316 -5.008 1.00 0.00 N ATOM 505 CA PHE A 31 -8.494 -3.509 -4.796 1.00 0.00 C ATOM 506 C PHE A 31 -7.409 -3.786 -5.832 1.00 0.00 C ATOM 507 O PHE A 31 -7.505 -4.731 -6.616 1.00 0.00 O ATOM 508 CB PHE A 31 -7.952 -3.747 -3.408 1.00 0.00 C ATOM 509 CG PHE A 31 -7.442 -5.135 -3.233 1.00 0.00 C ATOM 510 CD1 PHE A 31 -8.308 -6.148 -2.880 1.00 0.00 C ATOM 511 CD2 PHE A 31 -6.114 -5.431 -3.449 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.859 -7.440 -2.738 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.653 -6.721 -3.314 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.527 -7.731 -2.957 1.00 0.00 C ATOM 0 H PHE A 31 -9.530 -5.191 -5.509 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.787 -2.465 -4.907 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.148 -3.039 -3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.736 -3.555 -2.676 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.351 -5.924 -2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.429 -4.644 -3.727 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.546 -8.224 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.610 -6.944 -3.487 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.169 -8.744 -2.850 1.00 0.00 H new ATOM 524 N GLU A 32 -6.372 -2.951 -5.818 1.00 0.00 N ATOM 525 CA GLU A 32 -5.254 -3.095 -6.747 1.00 0.00 C ATOM 526 C GLU A 32 -3.927 -2.780 -6.061 1.00 0.00 C ATOM 527 O GLU A 32 -3.851 -1.895 -5.210 1.00 0.00 O ATOM 528 CB GLU A 32 -5.443 -2.176 -7.954 1.00 0.00 C ATOM 529 CG GLU A 32 -4.296 -2.230 -8.951 1.00 0.00 C ATOM 530 CD GLU A 32 -4.764 -2.080 -10.386 1.00 0.00 C ATOM 531 OE1 GLU A 32 -5.092 -3.110 -11.013 1.00 0.00 O ATOM 532 OE2 GLU A 32 -4.801 -0.935 -10.882 1.00 0.00 O ATOM 0 H GLU A 32 -6.283 -2.166 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.231 -4.131 -7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.368 -2.446 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.560 -1.150 -7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.582 -1.439 -8.721 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.769 -3.178 -8.842 1.00 0.00 H new ATOM 539 N PHE A 33 -2.885 -3.513 -6.441 1.00 0.00 N ATOM 540 CA PHE A 33 -1.563 -3.321 -5.874 1.00 0.00 C ATOM 541 C PHE A 33 -0.768 -2.292 -6.673 1.00 0.00 C ATOM 542 O PHE A 33 -1.100 -1.990 -7.819 1.00 0.00 O ATOM 543 CB PHE A 33 -0.817 -4.651 -5.860 1.00 0.00 C ATOM 544 CG PHE A 33 0.378 -4.646 -4.966 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.234 -4.844 -3.608 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.642 -4.439 -5.484 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.333 -4.836 -2.774 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.749 -4.428 -4.657 1.00 0.00 C ATOM 549 CZ PHE A 33 2.594 -4.628 -3.299 1.00 0.00 C ATOM 0 H PHE A 33 -2.936 -4.250 -7.145 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.675 -2.949 -4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.499 -5.439 -5.540 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.502 -4.894 -6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.750 -5.007 -3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.766 -4.284 -6.546 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.208 -4.992 -1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.733 -4.263 -5.071 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.457 -4.622 -2.649 1.00 0.00 H new ATOM 559 N ILE A 34 0.289 -1.762 -6.061 1.00 0.00 N ATOM 560 CA ILE A 34 1.142 -0.776 -6.716 1.00 0.00 C ATOM 561 C ILE A 34 2.577 -0.893 -6.227 1.00 0.00 C ATOM 562 O ILE A 34 2.861 -0.742 -5.040 1.00 0.00 O ATOM 563 CB ILE A 34 0.655 0.667 -6.489 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.868 0.733 -6.562 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.279 1.599 -7.515 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.441 2.050 -6.093 1.00 0.00 C ATOM 0 H ILE A 34 0.575 -2.000 -5.111 1.00 0.00 H new ATOM 0 HA ILE A 34 1.092 -0.990 -7.784 1.00 0.00 H new ATOM 0 HB ILE A 34 0.965 0.988 -5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.182 0.556 -7.591 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.287 -0.072 -5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.927 2.616 -7.344 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.364 1.570 -7.420 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.994 1.280 -8.517 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.528 2.023 -6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.158 2.221 -5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.051 2.858 -6.712 1.00 0.00 H new ATOM 578 N ASN A 35 3.473 -1.168 -7.159 1.00 0.00 N ATOM 579 CA ASN A 35 4.889 -1.314 -6.849 1.00 0.00 C ATOM 580 C ASN A 35 5.612 0.022 -6.953 1.00 0.00 C ATOM 581 O ASN A 35 5.357 0.810 -7.865 1.00 0.00 O ATOM 582 CB ASN A 35 5.536 -2.339 -7.786 1.00 0.00 C ATOM 583 CG ASN A 35 7.010 -2.545 -7.491 1.00 0.00 C ATOM 584 OD1 ASN A 35 7.470 -2.316 -6.374 1.00 0.00 O ATOM 585 ND2 ASN A 35 7.758 -2.981 -8.499 1.00 0.00 N ATOM 0 H ASN A 35 3.245 -1.296 -8.145 1.00 0.00 H new ATOM 0 HA ASN A 35 4.975 -1.669 -5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.014 -3.291 -7.694 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.418 -2.009 -8.818 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.756 -3.139 -8.362 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.334 -3.158 -9.410 1.00 0.00 H new ATOM 592 N ILE A 36 6.516 0.269 -6.012 1.00 0.00 N ATOM 593 CA ILE A 36 7.278 1.508 -5.994 1.00 0.00 C ATOM 594 C ILE A 36 8.671 1.308 -6.583 1.00 0.00 C ATOM 595 O ILE A 36 9.280 2.250 -7.087 1.00 0.00 O ATOM 596 CB ILE A 36 7.407 2.073 -4.561 1.00 0.00 C ATOM 597 CG1 ILE A 36 8.334 1.200 -3.707 1.00 0.00 C ATOM 598 CG2 ILE A 36 6.037 2.186 -3.912 1.00 0.00 C ATOM 599 CD1 ILE A 36 9.565 1.930 -3.216 1.00 0.00 C ATOM 0 H ILE A 36 6.738 -0.374 -5.252 1.00 0.00 H new ATOM 0 HA ILE A 36 6.730 2.224 -6.607 1.00 0.00 H new ATOM 0 HB ILE A 36 7.847 3.068 -4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.777 0.824 -2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.644 0.333 -4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.144 2.585 -2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.409 2.854 -4.502 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.574 1.200 -3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.176 1.253 -2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.144 2.283 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.264 2.781 -2.605 1.00 0.00 H new ATOM 611 N MET A 37 9.176 0.078 -6.511 1.00 0.00 N ATOM 612 CA MET A 37 10.501 -0.226 -7.031 1.00 0.00 C ATOM 613 C MET A 37 10.444 -1.275 -8.139 1.00 0.00 C ATOM 614 O MET A 37 10.555 -2.473 -7.878 1.00 0.00 O ATOM 615 CB MET A 37 11.420 -0.708 -5.900 1.00 0.00 C ATOM 616 CG MET A 37 12.823 -1.089 -6.355 1.00 0.00 C ATOM 617 SD MET A 37 13.638 -2.219 -5.209 1.00 0.00 S ATOM 618 CE MET A 37 13.142 -1.528 -3.633 1.00 0.00 C ATOM 0 H MET A 37 8.689 -0.718 -6.100 1.00 0.00 H new ATOM 0 HA MET A 37 10.905 0.692 -7.458 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.495 0.078 -5.148 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.961 -1.570 -5.416 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.769 -1.552 -7.340 1.00 0.00 H new ATOM 0 HG3 MET A 37 13.425 -0.186 -6.460 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.924 -1.707 -2.895 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.983 -0.455 -3.740 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.217 -2.001 -3.303 1.00 0.00 H new ATOM 628 N PRO A 38 10.278 -0.836 -9.400 1.00 0.00 N ATOM 629 CA PRO A 38 10.220 -1.742 -10.547 1.00 0.00 C ATOM 630 C PRO A 38 11.606 -2.223 -10.975 1.00 0.00 C ATOM 631 O PRO A 38 11.733 -3.090 -11.838 1.00 0.00 O ATOM 632 CB PRO A 38 9.594 -0.876 -11.638 1.00 0.00 C ATOM 633 CG PRO A 38 10.029 0.511 -11.309 1.00 0.00 C ATOM 634 CD PRO A 38 10.141 0.578 -9.807 1.00 0.00 C ATOM 0 HA PRO A 38 9.660 -2.651 -10.328 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.937 -1.175 -12.628 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.507 -0.962 -11.638 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.985 0.740 -11.780 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.309 1.241 -11.678 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.003 1.169 -9.496 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.260 1.039 -9.360 1.00 0.00 H new ATOM 642 N GLU A 39 12.643 -1.656 -10.362 1.00 0.00 N ATOM 643 CA GLU A 39 14.018 -2.028 -10.679 1.00 0.00 C ATOM 644 C GLU A 39 14.857 -2.110 -9.409 1.00 0.00 C ATOM 645 O GLU A 39 14.696 -1.303 -8.494 1.00 0.00 O ATOM 646 CB GLU A 39 14.634 -1.019 -11.650 1.00 0.00 C ATOM 647 CG GLU A 39 15.791 -1.581 -12.458 1.00 0.00 C ATOM 648 CD GLU A 39 15.993 -0.852 -13.772 1.00 0.00 C ATOM 649 OE1 GLU A 39 16.676 0.195 -13.772 1.00 0.00 O ATOM 650 OE2 GLU A 39 15.470 -1.327 -14.802 1.00 0.00 O ATOM 0 H GLU A 39 12.556 -0.937 -9.643 1.00 0.00 H new ATOM 0 HA GLU A 39 14.006 -3.009 -11.153 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.861 -0.667 -12.334 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.981 -0.152 -11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.705 -1.519 -11.868 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.611 -2.638 -12.657 1.00 0.00 H new ATOM 657 N LYS A 40 15.755 -3.090 -9.360 1.00 0.00 N ATOM 658 CA LYS A 40 16.618 -3.280 -8.196 1.00 0.00 C ATOM 659 C LYS A 40 17.639 -2.163 -8.057 1.00 0.00 C ATOM 660 O LYS A 40 18.352 -2.069 -7.057 1.00 0.00 O ATOM 661 CB LYS A 40 17.317 -4.638 -8.255 1.00 0.00 C ATOM 662 CG LYS A 40 17.796 -5.134 -6.901 1.00 0.00 C ATOM 663 CD LYS A 40 17.884 -6.651 -6.863 1.00 0.00 C ATOM 664 CE LYS A 40 17.478 -7.199 -5.505 1.00 0.00 C ATOM 665 NZ LYS A 40 17.082 -8.634 -5.583 1.00 0.00 N ATOM 0 H LYS A 40 15.905 -3.764 -10.111 1.00 0.00 H new ATOM 0 HA LYS A 40 15.979 -3.252 -7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.632 -5.372 -8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 40 18.170 -4.569 -8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 40 18.774 -4.706 -6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.114 -4.788 -6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 40 17.240 -7.073 -7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.903 -6.963 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.307 -7.088 -4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.647 -6.614 -5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 17.436 -9.138 -4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.045 -8.707 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.489 -9.060 -6.440 1.00 0.00 H new ATOM 679 N GLY A 41 17.689 -1.322 -9.061 1.00 0.00 N ATOM 680 CA GLY A 41 18.609 -0.201 -9.063 1.00 0.00 C ATOM 681 C GLY A 41 18.047 0.992 -8.319 1.00 0.00 C ATOM 682 O GLY A 41 18.619 1.446 -7.327 1.00 0.00 O ATOM 0 H GLY A 41 17.102 -1.390 -9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.551 -0.504 -8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.831 0.084 -10.091 1.00 0.00 H new ATOM 686 N VAL A 42 16.915 1.493 -8.798 1.00 0.00 N ATOM 687 CA VAL A 42 16.260 2.636 -8.180 1.00 0.00 C ATOM 688 C VAL A 42 14.755 2.569 -8.393 1.00 0.00 C ATOM 689 O VAL A 42 14.290 2.394 -9.518 1.00 0.00 O ATOM 690 CB VAL A 42 16.778 3.967 -8.752 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.295 5.137 -7.911 1.00 0.00 C ATOM 692 CG2 VAL A 42 18.296 3.956 -8.846 1.00 0.00 C ATOM 0 H VAL A 42 16.431 1.123 -9.616 1.00 0.00 H new ATOM 0 HA VAL A 42 16.490 2.596 -7.115 1.00 0.00 H new ATOM 0 HB VAL A 42 16.377 4.086 -9.759 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.672 6.069 -8.333 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.205 5.156 -7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.660 5.027 -6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.642 4.906 -9.253 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.721 3.810 -7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.614 3.144 -9.500 1.00 0.00 H new ATOM 702 N PHE A 43 13.995 2.703 -7.314 1.00 0.00 N ATOM 703 CA PHE A 43 12.541 2.645 -7.416 1.00 0.00 C ATOM 704 C PHE A 43 12.012 3.709 -8.373 1.00 0.00 C ATOM 705 O PHE A 43 12.755 4.584 -8.818 1.00 0.00 O ATOM 706 CB PHE A 43 11.875 2.808 -6.044 1.00 0.00 C ATOM 707 CG PHE A 43 12.654 3.639 -5.067 1.00 0.00 C ATOM 708 CD1 PHE A 43 13.292 4.798 -5.473 1.00 0.00 C ATOM 709 CD2 PHE A 43 12.739 3.258 -3.740 1.00 0.00 C ATOM 710 CE1 PHE A 43 14.004 5.566 -4.572 1.00 0.00 C ATOM 711 CE2 PHE A 43 13.448 4.021 -2.831 1.00 0.00 C ATOM 712 CZ PHE A 43 14.083 5.177 -3.248 1.00 0.00 C ATOM 0 H PHE A 43 14.353 2.851 -6.370 1.00 0.00 H new ATOM 0 HA PHE A 43 12.289 1.660 -7.810 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.893 3.259 -6.183 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.714 1.820 -5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.233 5.106 -6.507 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.246 2.355 -3.411 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.498 6.468 -4.901 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.506 3.715 -1.797 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.639 5.774 -2.541 1.00 0.00 H new ATOM 722 N ASP A 44 10.725 3.614 -8.697 1.00 0.00 N ATOM 723 CA ASP A 44 10.092 4.551 -9.617 1.00 0.00 C ATOM 724 C ASP A 44 9.757 5.870 -8.928 1.00 0.00 C ATOM 725 O ASP A 44 8.647 6.056 -8.429 1.00 0.00 O ATOM 726 CB ASP A 44 8.821 3.934 -10.209 1.00 0.00 C ATOM 727 CG ASP A 44 8.718 4.148 -11.707 1.00 0.00 C ATOM 728 OD1 ASP A 44 9.325 3.358 -12.461 1.00 0.00 O ATOM 729 OD2 ASP A 44 8.034 5.105 -12.124 1.00 0.00 O ATOM 0 H ASP A 44 10.100 2.895 -8.334 1.00 0.00 H new ATOM 0 HA ASP A 44 10.800 4.759 -10.419 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.806 2.865 -9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.948 4.369 -9.722 1.00 0.00 H new ATOM 734 N ASP A 45 10.721 6.788 -8.913 1.00 0.00 N ATOM 735 CA ASP A 45 10.529 8.096 -8.290 1.00 0.00 C ATOM 736 C ASP A 45 9.293 8.799 -8.847 1.00 0.00 C ATOM 737 O ASP A 45 8.728 9.680 -8.198 1.00 0.00 O ATOM 738 CB ASP A 45 11.764 8.972 -8.508 1.00 0.00 C ATOM 739 CG ASP A 45 11.872 10.083 -7.483 1.00 0.00 C ATOM 740 OD1 ASP A 45 12.247 9.791 -6.327 1.00 0.00 O ATOM 741 OD2 ASP A 45 11.582 11.247 -7.834 1.00 0.00 O ATOM 0 H ASP A 45 11.644 6.650 -9.325 1.00 0.00 H new ATOM 0 HA ASP A 45 10.381 7.938 -7.222 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.659 8.351 -8.463 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.727 9.406 -9.507 1.00 0.00 H new ATOM 746 N GLU A 46 8.875 8.410 -10.050 1.00 0.00 N ATOM 747 CA GLU A 46 7.703 9.008 -10.679 1.00 0.00 C ATOM 748 C GLU A 46 6.486 8.882 -9.772 1.00 0.00 C ATOM 749 O GLU A 46 5.803 9.868 -9.489 1.00 0.00 O ATOM 750 CB GLU A 46 7.424 8.341 -12.026 1.00 0.00 C ATOM 751 CG GLU A 46 8.575 8.461 -13.012 1.00 0.00 C ATOM 752 CD GLU A 46 8.345 9.540 -14.052 1.00 0.00 C ATOM 753 OE1 GLU A 46 7.173 9.906 -14.281 1.00 0.00 O ATOM 754 OE2 GLU A 46 9.338 10.020 -14.638 1.00 0.00 O ATOM 0 H GLU A 46 9.330 7.686 -10.606 1.00 0.00 H new ATOM 0 HA GLU A 46 7.906 10.066 -10.845 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.205 7.286 -11.862 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.532 8.787 -12.465 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.494 8.678 -12.467 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.720 7.504 -13.513 1.00 0.00 H new ATOM 761 N LYS A 47 6.228 7.665 -9.310 1.00 0.00 N ATOM 762 CA LYS A 47 5.102 7.412 -8.421 1.00 0.00 C ATOM 763 C LYS A 47 5.392 7.965 -7.031 1.00 0.00 C ATOM 764 O LYS A 47 4.489 8.424 -6.332 1.00 0.00 O ATOM 765 CB LYS A 47 4.809 5.912 -8.340 1.00 0.00 C ATOM 766 CG LYS A 47 4.706 5.238 -9.698 1.00 0.00 C ATOM 767 CD LYS A 47 5.013 3.752 -9.607 1.00 0.00 C ATOM 768 CE LYS A 47 4.393 2.982 -10.764 1.00 0.00 C ATOM 769 NZ LYS A 47 5.088 1.688 -11.005 1.00 0.00 N ATOM 0 H LYS A 47 6.782 6.839 -9.536 1.00 0.00 H new ATOM 0 HA LYS A 47 4.224 7.916 -8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.596 5.427 -7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.876 5.761 -7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.703 5.379 -10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.398 5.712 -10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.093 3.602 -9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.636 3.359 -8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.340 2.795 -10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.434 3.590 -11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.491 1.079 -11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.992 1.864 -11.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.267 1.216 -10.096 1.00 0.00 H new ATOM 783 N ILE A 48 6.664 7.930 -6.644 1.00 0.00 N ATOM 784 CA ILE A 48 7.086 8.436 -5.343 1.00 0.00 C ATOM 785 C ILE A 48 6.688 9.897 -5.176 1.00 0.00 C ATOM 786 O ILE A 48 6.080 10.276 -4.176 1.00 0.00 O ATOM 787 CB ILE A 48 8.613 8.308 -5.162 1.00 0.00 C ATOM 788 CG1 ILE A 48 9.056 6.853 -5.333 1.00 0.00 C ATOM 789 CG2 ILE A 48 9.041 8.842 -3.803 1.00 0.00 C ATOM 790 CD1 ILE A 48 8.308 5.876 -4.453 1.00 0.00 C ATOM 0 H ILE A 48 7.422 7.555 -7.215 1.00 0.00 H new ATOM 0 HA ILE A 48 6.586 7.833 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 48 9.099 8.907 -5.932 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.923 6.563 -6.375 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.122 6.780 -5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.121 8.742 -3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.764 9.893 -3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.545 8.274 -3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.679 4.867 -4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.461 6.138 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.244 5.918 -4.685 1.00 0.00 H new ATOM 802 N ALA A 49 7.038 10.713 -6.164 1.00 0.00 N ATOM 803 CA ALA A 49 6.717 12.132 -6.128 1.00 0.00 C ATOM 804 C ALA A 49 5.210 12.337 -6.050 1.00 0.00 C ATOM 805 O ALA A 49 4.711 13.057 -5.184 1.00 0.00 O ATOM 806 CB ALA A 49 7.291 12.836 -7.348 1.00 0.00 C ATOM 0 H ALA A 49 7.544 10.415 -6.998 1.00 0.00 H new ATOM 0 HA ALA A 49 7.168 12.566 -5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.042 13.896 -7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.374 12.717 -7.360 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.868 12.399 -8.253 1.00 0.00 H new ATOM 812 N GLU A 50 4.486 11.687 -6.957 1.00 0.00 N ATOM 813 CA GLU A 50 3.034 11.786 -6.985 1.00 0.00 C ATOM 814 C GLU A 50 2.445 11.306 -5.663 1.00 0.00 C ATOM 815 O GLU A 50 1.416 11.807 -5.212 1.00 0.00 O ATOM 816 CB GLU A 50 2.468 10.964 -8.148 1.00 0.00 C ATOM 817 CG GLU A 50 0.968 10.721 -8.060 1.00 0.00 C ATOM 818 CD GLU A 50 0.245 11.052 -9.352 1.00 0.00 C ATOM 819 OE1 GLU A 50 0.194 10.180 -10.244 1.00 0.00 O ATOM 820 OE2 GLU A 50 -0.271 12.184 -9.470 1.00 0.00 O ATOM 0 H GLU A 50 4.883 11.087 -7.681 1.00 0.00 H new ATOM 0 HA GLU A 50 2.759 12.831 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.689 11.477 -9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.980 10.003 -8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.788 9.677 -7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.553 11.323 -7.252 1.00 0.00 H new ATOM 827 N LEU A 51 3.114 10.340 -5.041 1.00 0.00 N ATOM 828 CA LEU A 51 2.663 9.794 -3.775 1.00 0.00 C ATOM 829 C LEU A 51 2.629 10.884 -2.714 1.00 0.00 C ATOM 830 O LEU A 51 1.581 11.153 -2.129 1.00 0.00 O ATOM 831 CB LEU A 51 3.590 8.653 -3.348 1.00 0.00 C ATOM 832 CG LEU A 51 3.035 7.691 -2.289 1.00 0.00 C ATOM 833 CD1 LEU A 51 3.814 7.819 -0.994 1.00 0.00 C ATOM 834 CD2 LEU A 51 1.551 7.920 -2.046 1.00 0.00 C ATOM 0 H LEU A 51 3.973 9.921 -5.398 1.00 0.00 H new ATOM 0 HA LEU A 51 1.653 9.401 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.851 8.074 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.514 9.087 -2.966 1.00 0.00 H new ATOM 0 HG LEU A 51 3.153 6.677 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.407 7.130 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.862 7.580 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.734 8.840 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.194 7.220 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.392 8.941 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.002 7.763 -2.974 1.00 0.00 H new ATOM 846 N LEU A 52 3.777 11.528 -2.489 1.00 0.00 N ATOM 847 CA LEU A 52 3.887 12.606 -1.521 1.00 0.00 C ATOM 848 C LEU A 52 2.717 13.570 -1.639 1.00 0.00 C ATOM 849 O LEU A 52 2.103 13.953 -0.645 1.00 0.00 O ATOM 850 CB LEU A 52 5.189 13.324 -1.755 1.00 0.00 C ATOM 851 CG LEU A 52 6.394 12.396 -1.742 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.635 13.213 -1.636 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.311 11.405 -0.589 1.00 0.00 C ATOM 0 H LEU A 52 4.649 11.313 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 52 3.865 12.192 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.145 13.839 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.318 14.088 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 52 6.409 11.822 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.504 12.555 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.700 13.888 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.610 13.795 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.185 10.754 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.279 11.948 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.409 10.802 -0.691 1.00 0.00 H new ATOM 865 N THR A 53 2.407 13.937 -2.875 1.00 0.00 N ATOM 866 CA THR A 53 1.298 14.842 -3.149 1.00 0.00 C ATOM 867 C THR A 53 -0.032 14.149 -2.876 1.00 0.00 C ATOM 868 O THR A 53 -1.013 14.787 -2.494 1.00 0.00 O ATOM 869 CB THR A 53 1.350 15.320 -4.602 1.00 0.00 C ATOM 870 OG1 THR A 53 2.586 15.958 -4.876 1.00 0.00 O ATOM 871 CG2 THR A 53 0.245 16.293 -4.952 1.00 0.00 C ATOM 0 H THR A 53 2.908 13.622 -3.705 1.00 0.00 H new ATOM 0 HA THR A 53 1.386 15.706 -2.490 1.00 0.00 H new ATOM 0 HB THR A 53 1.226 14.421 -5.206 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.601 16.255 -5.810 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.340 16.592 -5.996 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.723 15.815 -4.798 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.320 17.174 -4.314 1.00 0.00 H new ATOM 879 N LYS A 54 -0.051 12.834 -3.074 1.00 0.00 N ATOM 880 CA LYS A 54 -1.251 12.037 -2.852 1.00 0.00 C ATOM 881 C LYS A 54 -1.630 12.013 -1.372 1.00 0.00 C ATOM 882 O LYS A 54 -2.808 12.106 -1.025 1.00 0.00 O ATOM 883 CB LYS A 54 -1.042 10.608 -3.363 1.00 0.00 C ATOM 884 CG LYS A 54 -1.885 10.267 -4.580 1.00 0.00 C ATOM 885 CD LYS A 54 -3.337 10.027 -4.200 1.00 0.00 C ATOM 886 CE LYS A 54 -3.619 8.548 -3.986 1.00 0.00 C ATOM 887 NZ LYS A 54 -5.002 8.314 -3.486 1.00 0.00 N ATOM 0 H LYS A 54 0.756 12.296 -3.390 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.068 12.498 -3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.011 10.470 -3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.276 9.907 -2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.827 11.080 -5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.483 9.378 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.572 10.579 -3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.988 10.413 -4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.476 8.012 -4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.901 8.141 -3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.961 7.855 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.499 9.223 -3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.513 7.700 -4.152 1.00 0.00 H new ATOM 901 N LEU A 55 -0.630 11.883 -0.503 1.00 0.00 N ATOM 902 CA LEU A 55 -0.878 11.845 0.934 1.00 0.00 C ATOM 903 C LEU A 55 -1.503 13.150 1.410 1.00 0.00 C ATOM 904 O LEU A 55 -2.567 13.156 2.027 1.00 0.00 O ATOM 905 CB LEU A 55 0.411 11.577 1.702 1.00 0.00 C ATOM 906 CG LEU A 55 1.145 10.312 1.269 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.281 10.673 0.346 1.00 0.00 C ATOM 908 CD2 LEU A 55 1.657 9.539 2.467 1.00 0.00 C ATOM 0 H LEU A 55 0.352 11.803 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.576 11.030 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.078 12.430 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.179 11.503 2.765 1.00 0.00 H new ATOM 0 HG LEU A 55 0.443 9.670 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.803 9.766 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.887 11.181 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.976 11.333 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.176 8.643 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.346 10.163 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.818 9.254 3.102 1.00 0.00 H new ATOM 920 N GLY A 56 -0.831 14.255 1.108 1.00 0.00 N ATOM 921 CA GLY A 56 -1.321 15.563 1.501 1.00 0.00 C ATOM 922 C GLY A 56 -0.485 16.684 0.915 1.00 0.00 C ATOM 923 O GLY A 56 -0.438 16.859 -0.304 1.00 0.00 O ATOM 0 H GLY A 56 0.050 14.268 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.356 15.675 1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.318 15.639 2.588 1.00 0.00 H new ATOM 927 N ARG A 57 0.181 17.440 1.780 1.00 0.00 N ATOM 928 CA ARG A 57 1.028 18.544 1.337 1.00 0.00 C ATOM 929 C ARG A 57 2.174 18.769 2.315 1.00 0.00 C ATOM 930 O ARG A 57 2.650 19.890 2.488 1.00 0.00 O ATOM 931 CB ARG A 57 0.203 19.823 1.181 1.00 0.00 C ATOM 932 CG ARG A 57 -0.959 19.680 0.212 1.00 0.00 C ATOM 933 CD ARG A 57 -1.410 21.030 -0.322 1.00 0.00 C ATOM 934 NE ARG A 57 -2.516 20.901 -1.267 1.00 0.00 N ATOM 935 CZ ARG A 57 -2.873 21.854 -2.126 1.00 0.00 C ATOM 936 NH1 ARG A 57 -2.214 23.006 -2.161 1.00 0.00 N ATOM 937 NH2 ARG A 57 -3.890 21.653 -2.953 1.00 0.00 N ATOM 0 H ARG A 57 0.152 17.310 2.791 1.00 0.00 H new ATOM 0 HA ARG A 57 1.450 18.282 0.367 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.182 20.119 2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.855 20.627 0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.664 19.039 -0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.793 19.189 0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.715 21.665 0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.571 21.526 -0.811 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.046 20.030 -1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.430 23.165 -1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.492 23.733 -2.821 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.398 20.769 -2.931 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.164 22.382 -3.611 1.00 0.00 H new ATOM 951 N ASP A 58 2.610 17.688 2.948 1.00 0.00 N ATOM 952 CA ASP A 58 3.700 17.743 3.911 1.00 0.00 C ATOM 953 C ASP A 58 4.848 16.830 3.469 1.00 0.00 C ATOM 954 O ASP A 58 5.102 16.679 2.274 1.00 0.00 O ATOM 955 CB ASP A 58 3.184 17.347 5.298 1.00 0.00 C ATOM 956 CG ASP A 58 3.871 18.111 6.412 1.00 0.00 C ATOM 957 OD1 ASP A 58 5.117 18.211 6.382 1.00 0.00 O ATOM 958 OD2 ASP A 58 3.166 18.611 7.314 1.00 0.00 O ATOM 0 H ASP A 58 2.221 16.755 2.810 1.00 0.00 H new ATOM 0 HA ASP A 58 4.084 18.762 3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.110 17.526 5.347 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.336 16.278 5.447 1.00 0.00 H new ATOM 963 N THR A 59 5.535 16.222 4.432 1.00 0.00 N ATOM 964 CA THR A 59 6.646 15.326 4.132 1.00 0.00 C ATOM 965 C THR A 59 6.328 13.904 4.583 1.00 0.00 C ATOM 966 O THR A 59 5.340 13.670 5.278 1.00 0.00 O ATOM 967 CB THR A 59 7.924 15.820 4.812 1.00 0.00 C ATOM 968 OG1 THR A 59 9.015 14.964 4.515 1.00 0.00 O ATOM 969 CG2 THR A 59 7.804 15.910 6.318 1.00 0.00 C ATOM 0 H THR A 59 5.341 16.334 5.427 1.00 0.00 H new ATOM 0 HA THR A 59 6.800 15.320 3.053 1.00 0.00 H new ATOM 0 HB THR A 59 8.092 16.822 4.418 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.823 15.298 4.958 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.745 16.267 6.737 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.005 16.604 6.578 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.576 14.925 6.724 1.00 0.00 H new ATOM 977 N GLN A 60 7.173 12.959 4.187 1.00 0.00 N ATOM 978 CA GLN A 60 6.979 11.566 4.552 1.00 0.00 C ATOM 979 C GLN A 60 7.234 11.363 6.036 1.00 0.00 C ATOM 980 O GLN A 60 8.376 11.222 6.476 1.00 0.00 O ATOM 981 CB GLN A 60 7.905 10.664 3.738 1.00 0.00 C ATOM 982 CG GLN A 60 7.908 10.976 2.250 1.00 0.00 C ATOM 983 CD GLN A 60 8.787 10.029 1.458 1.00 0.00 C ATOM 984 OE1 GLN A 60 8.535 8.824 1.408 1.00 0.00 O ATOM 985 NE2 GLN A 60 9.827 10.568 0.834 1.00 0.00 N ATOM 0 H GLN A 60 7.998 13.135 3.613 1.00 0.00 H new ATOM 0 HA GLN A 60 5.945 11.299 4.333 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.921 10.759 4.122 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.606 9.626 3.882 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.888 10.923 1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.253 11.999 2.098 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.999 11.571 0.902 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.454 9.979 0.286 1.00 0.00 H new ATOM 994 N ILE A 61 6.155 11.341 6.794 1.00 0.00 N ATOM 995 CA ILE A 61 6.224 11.151 8.238 1.00 0.00 C ATOM 996 C ILE A 61 6.393 9.676 8.584 1.00 0.00 C ATOM 997 O ILE A 61 5.417 8.978 8.859 1.00 0.00 O ATOM 998 CB ILE A 61 4.958 11.687 8.936 1.00 0.00 C ATOM 999 CG1 ILE A 61 4.653 13.112 8.467 1.00 0.00 C ATOM 1000 CG2 ILE A 61 5.127 11.644 10.448 1.00 0.00 C ATOM 1001 CD1 ILE A 61 3.543 13.185 7.441 1.00 0.00 C ATOM 0 H ILE A 61 5.208 11.453 6.433 1.00 0.00 H new ATOM 0 HA ILE A 61 7.090 11.710 8.593 1.00 0.00 H new ATOM 0 HB ILE A 61 4.116 11.049 8.667 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.380 13.719 9.330 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.558 13.548 8.044 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.225 12.026 10.926 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.299 10.616 10.766 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.979 12.260 10.737 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.381 14.224 7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.822 12.605 6.561 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.626 12.779 7.868 1.00 0.00 H new ATOM 1013 N GLY A 62 7.635 9.205 8.565 1.00 0.00 N ATOM 1014 CA GLY A 62 7.904 7.813 8.875 1.00 0.00 C ATOM 1015 C GLY A 62 7.111 6.867 7.995 1.00 0.00 C ATOM 1016 O GLY A 62 6.800 5.745 8.395 1.00 0.00 O ATOM 0 H GLY A 62 8.460 9.762 8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.969 7.614 8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.663 7.622 9.921 1.00 0.00 H new ATOM 1020 N LEU A 63 6.776 7.330 6.793 1.00 0.00 N ATOM 1021 CA LEU A 63 6.009 6.528 5.846 1.00 0.00 C ATOM 1022 C LEU A 63 6.688 5.190 5.574 1.00 0.00 C ATOM 1023 O LEU A 63 7.901 5.126 5.373 1.00 0.00 O ATOM 1024 CB LEU A 63 5.818 7.299 4.537 1.00 0.00 C ATOM 1025 CG LEU A 63 4.520 8.105 4.438 1.00 0.00 C ATOM 1026 CD1 LEU A 63 3.364 7.205 4.037 1.00 0.00 C ATOM 1027 CD2 LEU A 63 4.219 8.802 5.755 1.00 0.00 C ATOM 0 H LEU A 63 7.025 8.259 6.452 1.00 0.00 H new ATOM 0 HA LEU A 63 5.034 6.325 6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.660 7.979 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.851 6.591 3.709 1.00 0.00 H new ATOM 0 HG LEU A 63 4.648 8.867 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.450 7.795 3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.574 6.753 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.237 6.421 4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.293 9.369 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.112 8.058 6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.036 9.479 6.003 1.00 0.00 H new ATOM 1039 N THR A 64 5.893 4.128 5.568 1.00 0.00 N ATOM 1040 CA THR A 64 6.412 2.787 5.322 1.00 0.00 C ATOM 1041 C THR A 64 5.502 2.009 4.374 1.00 0.00 C ATOM 1042 O THR A 64 4.329 2.342 4.209 1.00 0.00 O ATOM 1043 CB THR A 64 6.561 2.028 6.642 1.00 0.00 C ATOM 1044 OG1 THR A 64 5.548 2.410 7.557 1.00 0.00 O ATOM 1045 CG2 THR A 64 7.896 2.256 7.315 1.00 0.00 C ATOM 0 H THR A 64 4.887 4.168 5.730 1.00 0.00 H new ATOM 0 HA THR A 64 7.390 2.886 4.852 1.00 0.00 H new ATOM 0 HB THR A 64 6.480 0.973 6.380 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.659 1.913 8.394 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.936 1.689 8.245 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.698 1.926 6.654 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.018 3.317 7.531 1.00 0.00 H new ATOM 1053 N MET A 65 6.050 0.970 3.757 1.00 0.00 N ATOM 1054 CA MET A 65 5.286 0.145 2.831 1.00 0.00 C ATOM 1055 C MET A 65 4.860 -1.161 3.489 1.00 0.00 C ATOM 1056 O MET A 65 5.527 -1.653 4.401 1.00 0.00 O ATOM 1057 CB MET A 65 6.105 -0.144 1.573 1.00 0.00 C ATOM 1058 CG MET A 65 6.098 0.997 0.570 1.00 0.00 C ATOM 1059 SD MET A 65 7.347 2.247 0.929 1.00 0.00 S ATOM 1060 CE MET A 65 7.202 3.294 -0.517 1.00 0.00 C ATOM 0 H MET A 65 7.020 0.679 3.881 1.00 0.00 H new ATOM 0 HA MET A 65 4.389 0.697 2.550 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.134 -0.358 1.860 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.715 -1.041 1.093 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.267 0.597 -0.430 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.113 1.464 0.564 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.793 4.198 -0.372 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.567 2.758 -1.393 1.00 0.00 H new ATOM 0 HE3 MET A 65 6.157 3.564 -0.667 1.00 0.00 H new ATOM 1070 N PRO A 66 3.735 -1.745 3.038 1.00 0.00 N ATOM 1071 CA PRO A 66 2.908 -1.202 1.958 1.00 0.00 C ATOM 1072 C PRO A 66 1.959 -0.103 2.438 1.00 0.00 C ATOM 1073 O PRO A 66 1.406 -0.183 3.536 1.00 0.00 O ATOM 1074 CB PRO A 66 2.101 -2.420 1.474 1.00 0.00 C ATOM 1075 CG PRO A 66 2.563 -3.577 2.303 1.00 0.00 C ATOM 1076 CD PRO A 66 3.175 -2.995 3.541 1.00 0.00 C ATOM 0 HA PRO A 66 3.518 -0.736 1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.031 -2.254 1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.273 -2.606 0.414 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.729 -4.232 2.554 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.289 -4.180 1.758 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.434 -2.826 4.323 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.941 -3.646 3.963 1.00 0.00 H new ATOM 1084 N GLN A 67 1.756 0.908 1.597 1.00 0.00 N ATOM 1085 CA GLN A 67 0.859 2.012 1.921 1.00 0.00 C ATOM 1086 C GLN A 67 -0.408 1.919 1.079 1.00 0.00 C ATOM 1087 O GLN A 67 -0.352 1.965 -0.145 1.00 0.00 O ATOM 1088 CB GLN A 67 1.555 3.351 1.678 1.00 0.00 C ATOM 1089 CG GLN A 67 1.346 4.355 2.797 1.00 0.00 C ATOM 1090 CD GLN A 67 2.426 4.279 3.858 1.00 0.00 C ATOM 1091 OE1 GLN A 67 3.593 4.564 3.593 1.00 0.00 O ATOM 1092 NE2 GLN A 67 2.040 3.892 5.068 1.00 0.00 N ATOM 0 H GLN A 67 2.203 0.985 0.683 1.00 0.00 H new ATOM 0 HA GLN A 67 0.589 1.946 2.975 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.624 3.178 1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.188 3.778 0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.324 5.361 2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.375 4.181 3.260 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.061 3.665 5.243 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.722 3.821 5.823 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.550 1.764 1.732 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.808 1.638 1.012 1.00 0.00 C ATOM 1103 C VAL A 68 -3.495 2.990 0.824 1.00 0.00 C ATOM 1104 O VAL A 68 -3.129 3.982 1.457 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.771 0.666 1.724 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.810 0.137 0.750 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -3.003 -0.482 2.367 1.00 0.00 C ATOM 0 H VAL A 68 -1.632 1.723 2.748 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.561 1.236 0.029 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.287 1.213 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.481 -0.547 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.384 0.969 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.311 -0.391 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.702 -1.155 2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.456 -1.029 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.300 -0.085 3.099 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.495 3.018 -0.057 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.235 4.242 -0.345 1.00 0.00 C ATOM 1119 C PHE A 69 -6.721 3.943 -0.547 1.00 0.00 C ATOM 1120 O PHE A 69 -7.089 2.989 -1.231 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.671 4.913 -1.599 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.485 5.795 -1.338 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.660 7.111 -0.940 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -2.195 5.310 -1.494 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.571 7.929 -0.706 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -1.101 6.126 -1.260 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.290 7.437 -0.866 1.00 0.00 C ATOM 0 H PHE A 69 -4.810 2.203 -0.584 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.127 4.914 0.506 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.387 4.142 -2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.457 5.507 -2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.659 7.502 -0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.042 4.286 -1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.721 8.953 -0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.101 5.738 -1.385 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.438 8.075 -0.684 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.566 4.764 0.073 1.00 0.00 N ATOM 1138 CA ALA A 70 -9.017 4.603 -0.006 1.00 0.00 C ATOM 1139 C ALA A 70 -9.511 4.440 -1.444 1.00 0.00 C ATOM 1140 O ALA A 70 -8.916 4.970 -2.383 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.707 5.787 0.651 1.00 0.00 C ATOM 0 H ALA A 70 -7.267 5.556 0.642 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.269 3.686 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.788 5.659 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.409 5.847 1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.420 6.705 0.139 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.624 3.704 -1.624 1.00 0.00 N ATOM 1148 CA PRO A 71 -11.231 3.470 -2.944 1.00 0.00 C ATOM 1149 C PRO A 71 -11.618 4.769 -3.640 1.00 0.00 C ATOM 1150 O PRO A 71 -11.549 4.874 -4.865 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.487 2.651 -2.616 1.00 0.00 C ATOM 1152 CG PRO A 71 -12.201 2.031 -1.297 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.393 3.048 -0.549 1.00 0.00 C ATOM 0 HA PRO A 71 -10.543 2.971 -3.626 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.372 3.285 -2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.675 1.894 -3.377 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.123 1.793 -0.766 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.650 1.098 -1.412 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.027 3.756 -0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.741 2.583 0.190 1.00 0.00 H new ATOM 1161 N ASP A 72 -12.028 5.757 -2.851 1.00 0.00 N ATOM 1162 CA ASP A 72 -12.435 7.051 -3.390 1.00 0.00 C ATOM 1163 C ASP A 72 -11.253 8.012 -3.481 1.00 0.00 C ATOM 1164 O ASP A 72 -11.285 8.977 -4.247 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.534 7.663 -2.519 1.00 0.00 C ATOM 1166 CG ASP A 72 -13.097 7.841 -1.078 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -12.286 7.023 -0.597 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -13.567 8.800 -0.429 1.00 0.00 O ATOM 0 H ASP A 72 -12.087 5.687 -1.835 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.819 6.887 -4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.823 8.630 -2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.417 7.025 -2.552 1.00 0.00 H new ATOM 1173 N GLY A 73 -10.210 7.751 -2.698 1.00 0.00 N ATOM 1174 CA GLY A 73 -9.043 8.609 -2.716 1.00 0.00 C ATOM 1175 C GLY A 73 -8.700 9.161 -1.345 1.00 0.00 C ATOM 1176 O GLY A 73 -9.160 10.238 -0.969 1.00 0.00 O ATOM 0 H GLY A 73 -10.154 6.962 -2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.191 8.048 -3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.217 9.437 -3.403 1.00 0.00 H new ATOM 1180 N SER A 74 -7.886 8.419 -0.601 1.00 0.00 N ATOM 1181 CA SER A 74 -7.474 8.836 0.736 1.00 0.00 C ATOM 1182 C SER A 74 -6.382 7.917 1.270 1.00 0.00 C ATOM 1183 O SER A 74 -6.186 6.813 0.766 1.00 0.00 O ATOM 1184 CB SER A 74 -8.671 8.838 1.689 1.00 0.00 C ATOM 1185 OG SER A 74 -9.237 10.132 1.796 1.00 0.00 O ATOM 0 H SER A 74 -7.498 7.525 -0.901 1.00 0.00 H new ATOM 0 HA SER A 74 -7.077 9.849 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.425 8.137 1.332 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.356 8.493 2.674 1.00 0.00 H new ATOM 0 HG SER A 74 -9.359 10.511 0.900 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.668 8.380 2.288 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.594 7.598 2.884 1.00 0.00 C ATOM 1193 C HIS A 75 -5.113 6.736 4.029 1.00 0.00 C ATOM 1194 O HIS A 75 -5.567 7.252 5.050 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.486 8.521 3.386 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.171 7.832 3.559 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.189 8.256 4.427 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.680 6.723 2.950 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.155 7.412 4.319 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.403 6.462 3.438 1.00 0.00 N ATOM 0 H HIS A 75 -5.814 9.293 2.718 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.190 6.938 2.116 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.366 9.346 2.684 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.789 8.954 4.339 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.240 9.068 5.042 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.198 6.137 2.205 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.763 7.498 4.881 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.037 5.419 3.859 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.496 4.491 4.886 1.00 0.00 C ATOM 1210 C ILE A 76 -4.359 4.110 5.824 1.00 0.00 C ATOM 1211 O ILE A 76 -4.502 4.157 7.046 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.077 3.201 4.274 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.102 3.530 3.189 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.703 2.335 5.358 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.113 2.526 2.057 1.00 0.00 C ATOM 0 H ILE A 76 -4.663 4.972 3.022 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.279 5.007 5.441 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.262 2.643 3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.095 3.574 3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.890 4.520 2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.109 1.428 4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.944 2.068 6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.505 2.888 5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.862 2.817 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.131 2.499 1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.354 1.538 2.449 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.230 3.720 5.241 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.083 3.325 6.036 1.00 0.00 C ATOM 1229 C GLY A 77 -1.653 1.901 5.755 1.00 0.00 C ATOM 1230 O GLY A 77 -1.890 1.376 4.667 1.00 0.00 O ATOM 0 H GLY A 77 -3.089 3.671 4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.252 4.000 5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.324 3.427 7.094 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.017 1.280 6.737 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.560 -0.089 6.577 1.00 0.00 C ATOM 1236 C GLY A 78 -1.652 -1.099 6.876 1.00 0.00 C ATOM 1237 O GLY A 78 -2.821 -0.865 6.567 1.00 0.00 O ATOM 0 H GLY A 78 -0.808 1.698 7.644 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.203 -0.234 5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.287 -0.267 7.239 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.275 -2.221 7.480 1.00 0.00 N ATOM 1242 CA PHE A 79 -2.240 -3.261 7.821 1.00 0.00 C ATOM 1243 C PHE A 79 -3.039 -2.871 9.060 1.00 0.00 C ATOM 1244 O PHE A 79 -4.230 -2.581 8.965 1.00 0.00 O ATOM 1245 CB PHE A 79 -1.538 -4.603 8.038 1.00 0.00 C ATOM 1246 CG PHE A 79 -2.434 -5.785 7.792 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -3.744 -5.774 8.240 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.970 -6.905 7.122 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -4.573 -6.855 8.027 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.797 -7.987 6.905 1.00 0.00 C ATOM 1251 CZ PHE A 79 -4.099 -7.963 7.359 1.00 0.00 C ATOM 0 H PHE A 79 -0.313 -2.433 7.743 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.932 -3.367 6.985 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.674 -4.666 7.376 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.160 -4.648 9.060 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.121 -4.908 8.763 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.951 -6.931 6.766 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.592 -6.833 8.383 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.425 -8.854 6.379 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.746 -8.811 7.191 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.385 -2.854 10.220 1.00 0.00 N ATOM 1262 CA ASP A 80 -3.055 -2.492 11.467 1.00 0.00 C ATOM 1263 C ASP A 80 -3.857 -1.209 11.284 1.00 0.00 C ATOM 1264 O ASP A 80 -5.016 -1.113 11.700 1.00 0.00 O ATOM 1265 CB ASP A 80 -2.031 -2.311 12.590 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.673 -2.320 13.963 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.172 -1.259 14.392 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.680 -3.390 14.607 1.00 0.00 O ATOM 0 H ASP A 80 -1.397 -3.085 10.322 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.736 -3.299 11.739 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.289 -3.107 12.533 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.500 -1.370 12.446 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.229 -0.229 10.646 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.876 1.048 10.389 1.00 0.00 C ATOM 1275 C GLN A 81 -5.110 0.846 9.522 1.00 0.00 C ATOM 1276 O GLN A 81 -6.120 1.531 9.689 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.903 2.011 9.705 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.938 3.418 10.276 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.735 3.725 11.147 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -1.840 3.786 12.372 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -0.582 3.919 10.516 1.00 0.00 N ATOM 0 H GLN A 81 -2.273 -0.296 10.298 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.182 1.481 11.342 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.891 1.616 9.795 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.135 2.054 8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.982 4.137 9.458 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.848 3.546 10.862 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.541 3.859 9.499 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.262 4.128 11.049 1.00 0.00 H new ATOM 1290 N LEU A 82 -5.026 -0.110 8.600 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.140 -0.408 7.714 1.00 0.00 C ATOM 1292 C LEU A 82 -7.201 -1.243 8.417 1.00 0.00 C ATOM 1293 O LEU A 82 -8.393 -1.021 8.221 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.670 -1.117 6.458 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.800 -1.421 5.489 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.423 -1.050 4.071 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.187 -2.876 5.593 1.00 0.00 C ATOM 0 H LEU A 82 -4.199 -0.688 8.450 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.585 0.545 7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.925 -0.500 5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.177 -2.048 6.736 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.663 -0.813 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.252 -1.280 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.201 0.016 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.544 -1.619 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.998 -3.088 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.327 -3.500 5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.516 -3.093 6.609 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.776 -2.183 9.258 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.727 -3.010 9.996 1.00 0.00 C ATOM 1311 C ARG A 83 -8.740 -2.106 10.681 1.00 0.00 C ATOM 1312 O ARG A 83 -9.908 -2.459 10.827 1.00 0.00 O ATOM 1313 CB ARG A 83 -7.003 -3.879 11.027 1.00 0.00 C ATOM 1314 CG ARG A 83 -6.600 -5.244 10.495 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.696 -6.311 11.574 1.00 0.00 C ATOM 1316 NE ARG A 83 -5.594 -6.223 12.530 1.00 0.00 N ATOM 1317 CZ ARG A 83 -5.563 -6.882 13.686 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -6.569 -7.676 14.033 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -4.524 -6.745 14.498 1.00 0.00 N ATOM 0 H ARG A 83 -5.794 -2.389 9.444 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.241 -3.675 9.302 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.111 -3.354 11.370 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.649 -4.013 11.895 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.242 -5.513 9.657 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.580 -5.201 10.114 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.644 -6.208 12.103 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.696 -7.297 11.110 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.803 -5.622 12.298 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.371 -7.784 13.412 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.540 -8.178 14.920 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.749 -6.135 14.237 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.499 -7.250 15.384 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.282 -0.918 11.071 1.00 0.00 N ATOM 1334 CA GLU A 84 -9.155 0.059 11.702 1.00 0.00 C ATOM 1335 C GLU A 84 -10.160 0.568 10.676 1.00 0.00 C ATOM 1336 O GLU A 84 -11.319 0.826 10.998 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.342 1.224 12.272 1.00 0.00 C ATOM 1338 CG GLU A 84 -7.412 0.822 13.405 1.00 0.00 C ATOM 1339 CD GLU A 84 -6.269 1.800 13.595 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -6.542 2.977 13.912 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -5.102 1.390 13.426 1.00 0.00 O ATOM 0 H GLU A 84 -7.315 -0.613 10.960 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.685 -0.416 12.527 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.753 1.671 11.471 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.027 1.992 12.631 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.983 0.751 14.331 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.007 -0.170 13.204 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.707 0.675 9.427 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.560 1.114 8.336 1.00 0.00 C ATOM 1350 C TYR A 85 -11.683 0.104 8.135 1.00 0.00 C ATOM 1351 O TYR A 85 -12.812 0.464 7.801 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.726 1.244 7.059 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.435 1.928 5.913 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.507 1.323 5.272 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.020 3.174 5.464 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.146 1.940 4.216 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.654 3.799 4.411 1.00 0.00 C ATOM 1358 CZ TYR A 85 -11.716 3.179 3.788 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.351 3.798 2.736 1.00 0.00 O ATOM 0 H TYR A 85 -8.749 0.461 9.150 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.996 2.085 8.573 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.816 1.799 7.289 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.420 0.249 6.738 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.847 0.353 5.605 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.187 3.662 5.947 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.978 1.456 3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.320 4.770 4.076 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.926 4.664 2.561 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.356 -1.168 8.364 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.315 -2.260 8.223 1.00 0.00 C ATOM 1371 C PHE A 86 -13.054 -2.525 9.533 1.00 0.00 C ATOM 1372 O PHE A 86 -14.246 -2.240 9.652 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.590 -3.529 7.755 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.376 -3.578 6.268 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.398 -3.228 5.397 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.155 -3.959 5.738 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.204 -3.257 4.031 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.956 -3.988 4.371 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.981 -3.635 3.518 1.00 0.00 C ATOM 0 H PHE A 86 -10.424 -1.468 8.651 1.00 0.00 H new ATOM 0 HA PHE A 86 -13.056 -1.970 7.478 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.624 -3.593 8.256 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.166 -4.402 8.061 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.357 -2.929 5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.349 -4.237 6.401 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -13.009 -2.984 3.365 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.999 -4.287 3.971 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.826 -3.655 2.449 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.342 -3.070 10.513 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.932 -3.372 11.813 1.00 0.00 C ATOM 1391 C LYS A 87 -14.115 -4.324 11.666 1.00 0.00 C ATOM 1392 O LYS A 87 -14.816 -4.554 12.674 1.00 0.00 O ATOM 1393 CB LYS A 87 -13.383 -2.083 12.503 1.00 0.00 C ATOM 1394 CG LYS A 87 -12.285 -1.412 13.314 1.00 0.00 C ATOM 1395 CD LYS A 87 -12.828 -0.821 14.604 1.00 0.00 C ATOM 1396 CE LYS A 87 -13.625 0.447 14.346 1.00 0.00 C ATOM 1397 NZ LYS A 87 -15.091 0.188 14.338 1.00 0.00 N ATOM 1398 OXT LYS A 87 -14.331 -4.831 10.546 1.00 0.00 O ATOM 0 H LYS A 87 -11.354 -3.312 10.432 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.172 -3.858 12.425 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.745 -1.384 11.749 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.224 -2.307 13.160 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.506 -2.139 13.545 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.821 -0.625 12.719 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.461 -1.555 15.103 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.002 -0.601 15.280 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.391 1.186 15.113 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.327 0.875 13.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.600 1.080 14.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.321 -0.485 13.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.378 -0.213 15.254 1.00 0.00 H new TER 1412 LYS A 87