USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 748 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 HIS :FLIP no HE2:sc= 0.51 F(o=-4.4,f=1.7) USER MOD Set 1.2: A 65 TYR OH : rot 108:sc= 1.2 USER MOD Set 2.1: A 37 GLN :FLIP amide:sc= -0.175 F(o=-3.5,f=-2.5) USER MOD Set 2.2: A 69 GLN :FLIP amide:sc= -2.29! F(o=-4.6,f=-2.5!) USER MOD Single : A 6 TYR OH : rot 30:sc= -2.05! USER MOD Single : A 10 THR OG1 : rot -80:sc= -0.153 USER MOD Single : A 14 GLN : amide:sc= -0.088 K(o=-0.088,f=-0.8) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.28 X(o=-2.3,f=-2.3) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0266 X(o=-0.027,f=-0.49) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= -0.555 (180deg=-0.906) USER MOD Single : A 42 THR OG1 : rot 38:sc= -0.675 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -173:sc= -0.0191 (180deg=-0.0565) USER MOD Single : A 79 ASN : amide:sc= -0.895 K(o=-0.89,f=-1.9!) USER MOD Single : A 88 THR OG1 : rot -76:sc= 1.01 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0492 USER MOD Single : A 111 HIS : no HD1:sc=-0.00737 X(o=-0.0074,f=0) USER MOD Single : A 116 SER OG : rot 110:sc= -2.98! USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 0.094 8.318 -9.547 1.00 0.00 N ATOM 15 CA ILE A 3 0.478 7.835 -8.224 1.00 0.00 C ATOM 16 C ILE A 3 0.960 6.387 -8.294 1.00 0.00 C ATOM 17 O ILE A 3 0.999 5.791 -9.370 1.00 0.00 O ATOM 18 CB ILE A 3 -0.688 7.960 -7.212 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.716 6.836 -7.395 1.00 0.00 C ATOM 20 CG2 ILE A 3 -1.362 9.317 -7.349 1.00 0.00 C ATOM 21 CD1 ILE A 3 -2.414 6.857 -8.737 1.00 0.00 C ATOM 0 HA ILE A 3 1.298 8.463 -7.874 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.269 7.869 -6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.216 5.876 -7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.464 6.909 -6.606 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.180 9.391 -6.632 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.635 10.106 -7.154 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.755 9.428 -8.360 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.125 6.032 -8.790 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.944 7.802 -8.857 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.676 6.752 -9.533 1.00 0.00 H new ATOM 33 N GLU A 4 1.335 5.823 -7.146 1.00 0.00 N ATOM 34 CA GLU A 4 1.819 4.446 -7.109 1.00 0.00 C ATOM 35 C GLU A 4 1.655 3.823 -5.723 1.00 0.00 C ATOM 36 O GLU A 4 1.434 4.521 -4.729 1.00 0.00 O ATOM 37 CB GLU A 4 3.291 4.395 -7.526 1.00 0.00 C ATOM 38 CG GLU A 4 3.630 3.210 -8.414 1.00 0.00 C ATOM 39 CD GLU A 4 4.924 3.406 -9.180 1.00 0.00 C ATOM 40 OE1 GLU A 4 5.020 4.395 -9.937 1.00 0.00 O ATOM 41 OE2 GLU A 4 5.839 2.572 -9.022 1.00 0.00 O ATOM 0 H GLU A 4 1.313 6.292 -6.241 1.00 0.00 H new ATOM 0 HA GLU A 4 1.217 3.868 -7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.543 5.316 -8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.913 4.358 -6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.707 2.312 -7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.816 3.045 -9.120 1.00 0.00 H new ATOM 48 N TRP A 5 1.768 2.498 -5.673 1.00 0.00 N ATOM 49 CA TRP A 5 1.640 1.755 -4.424 1.00 0.00 C ATOM 50 C TRP A 5 2.992 1.612 -3.737 1.00 0.00 C ATOM 51 O TRP A 5 3.971 1.196 -4.355 1.00 0.00 O ATOM 52 CB TRP A 5 1.048 0.368 -4.689 1.00 0.00 C ATOM 53 CG TRP A 5 -0.362 0.401 -5.190 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.770 0.615 -6.475 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.552 0.210 -4.418 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.142 0.571 -6.548 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.644 0.323 -5.298 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.799 -0.045 -3.066 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.962 0.190 -4.869 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.107 -0.178 -2.641 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.175 -0.061 -3.541 1.00 0.00 C ATOM 0 H TRP A 5 1.949 1.914 -6.490 1.00 0.00 H new ATOM 0 HA TRP A 5 0.972 2.312 -3.767 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.671 -0.150 -5.418 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.083 -0.214 -3.768 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.111 0.793 -7.312 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.696 0.702 -7.395 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.982 -0.136 -2.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.787 0.282 -5.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.310 -0.375 -1.599 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.187 -0.171 -3.179 1.00 0.00 H new ATOM 72 N TYR A 6 3.037 1.952 -2.455 1.00 0.00 N ATOM 73 CA TYR A 6 4.267 1.857 -1.677 1.00 0.00 C ATOM 74 C TYR A 6 4.137 0.773 -0.613 1.00 0.00 C ATOM 75 O TYR A 6 3.411 0.937 0.367 1.00 0.00 O ATOM 76 CB TYR A 6 4.586 3.201 -1.021 1.00 0.00 C ATOM 77 CG TYR A 6 5.362 4.155 -1.907 1.00 0.00 C ATOM 78 CD1 TYR A 6 5.456 3.951 -3.280 1.00 0.00 C ATOM 79 CD2 TYR A 6 5.995 5.266 -1.366 1.00 0.00 C ATOM 80 CE1 TYR A 6 6.162 4.825 -4.085 1.00 0.00 C ATOM 81 CE2 TYR A 6 6.702 6.144 -2.164 1.00 0.00 C ATOM 82 CZ TYR A 6 6.782 5.920 -3.523 1.00 0.00 C ATOM 83 OH TYR A 6 7.485 6.792 -4.321 1.00 0.00 O ATOM 0 H TYR A 6 2.233 2.297 -1.930 1.00 0.00 H new ATOM 0 HA TYR A 6 5.083 1.593 -2.350 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.652 3.678 -0.723 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.158 3.022 -0.110 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.969 3.095 -3.724 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.933 5.447 -0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.227 4.651 -5.149 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.190 7.002 -1.726 1.00 0.00 H new ATOM 0 HH TYR A 6 7.089 6.807 -5.217 1.00 0.00 H new ATOM 93 N ALA A 7 4.838 -0.336 -0.816 1.00 0.00 N ATOM 94 CA ALA A 7 4.788 -1.446 0.125 1.00 0.00 C ATOM 95 C ALA A 7 5.816 -1.284 1.239 1.00 0.00 C ATOM 96 O ALA A 7 6.961 -0.902 0.994 1.00 0.00 O ATOM 97 CB ALA A 7 5.001 -2.764 -0.605 1.00 0.00 C ATOM 0 H ALA A 7 5.445 -0.490 -1.621 1.00 0.00 H new ATOM 0 HA ALA A 7 3.800 -1.449 0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.961 -3.586 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.220 -2.896 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.975 -2.755 -1.095 1.00 0.00 H new ATOM 103 N VAL A 8 5.396 -1.583 2.464 1.00 0.00 N ATOM 104 CA VAL A 8 6.270 -1.482 3.625 1.00 0.00 C ATOM 105 C VAL A 8 6.207 -2.757 4.457 1.00 0.00 C ATOM 106 O VAL A 8 5.240 -3.515 4.373 1.00 0.00 O ATOM 107 CB VAL A 8 5.894 -0.281 4.513 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.183 1.027 3.792 1.00 0.00 C ATOM 109 CG2 VAL A 8 4.432 -0.359 4.925 1.00 0.00 C ATOM 0 H VAL A 8 4.450 -1.899 2.678 1.00 0.00 H new ATOM 0 HA VAL A 8 7.284 -1.337 3.252 1.00 0.00 H new ATOM 0 HB VAL A 8 6.504 -0.314 5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.911 1.864 4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.245 1.083 3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.600 1.072 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.184 0.498 5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.802 -0.352 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.260 -1.279 5.484 1.00 0.00 H new ATOM 119 N HIS A 9 7.240 -2.993 5.257 1.00 0.00 N ATOM 120 CA HIS A 9 7.293 -4.183 6.099 1.00 0.00 C ATOM 121 C HIS A 9 6.997 -3.834 7.554 1.00 0.00 C ATOM 122 O HIS A 9 7.550 -2.878 8.098 1.00 0.00 O ATOM 123 CB HIS A 9 8.663 -4.858 5.990 1.00 0.00 C ATOM 124 CG HIS A 9 9.244 -4.834 4.609 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.552 -3.797 3.791 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 9.575 -5.978 3.914 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 10.059 -4.331 2.632 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 10.064 -5.648 2.731 1.00 0.00 N flip ATOM 0 H HIS A 9 8.050 -2.379 5.341 1.00 0.00 H new ATOM 0 HA HIS A 9 6.529 -4.877 5.748 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.355 -4.366 6.673 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.574 -5.894 6.318 1.00 0.00 H new ATOM 0 HD1 HIS A 9 9.430 -2.806 3.998 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.454 -6.987 4.279 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.399 -3.765 1.777 1.00 0.00 H new ATOM 137 N THR A 10 6.125 -4.618 8.179 1.00 0.00 N ATOM 138 CA THR A 10 5.754 -4.394 9.572 1.00 0.00 C ATOM 139 C THR A 10 5.915 -5.672 10.389 1.00 0.00 C ATOM 140 O THR A 10 6.419 -6.678 9.892 1.00 0.00 O ATOM 141 CB THR A 10 4.311 -3.894 9.662 1.00 0.00 C ATOM 142 OG1 THR A 10 3.405 -4.899 9.243 1.00 0.00 O ATOM 143 CG2 THR A 10 4.051 -2.662 8.822 1.00 0.00 C ATOM 0 H THR A 10 5.661 -5.415 7.743 1.00 0.00 H new ATOM 0 HA THR A 10 6.420 -3.635 9.983 1.00 0.00 H new ATOM 0 HB THR A 10 4.159 -3.638 10.710 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.371 -4.921 8.264 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.009 -2.360 8.931 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.700 -1.852 9.154 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.256 -2.886 7.775 1.00 0.00 H new ATOM 151 N LEU A 11 5.484 -5.622 11.646 1.00 0.00 N ATOM 152 CA LEU A 11 5.582 -6.777 12.534 1.00 0.00 C ATOM 153 C LEU A 11 4.549 -7.837 12.160 1.00 0.00 C ATOM 154 O LEU A 11 3.370 -7.534 11.981 1.00 0.00 O ATOM 155 CB LEU A 11 5.386 -6.348 13.989 1.00 0.00 C ATOM 156 CG LEU A 11 6.645 -5.832 14.687 1.00 0.00 C ATOM 157 CD1 LEU A 11 6.298 -4.712 15.656 1.00 0.00 C ATOM 158 CD2 LEU A 11 7.353 -6.965 15.413 1.00 0.00 C ATOM 0 H LEU A 11 5.064 -4.796 12.072 1.00 0.00 H new ATOM 0 HA LEU A 11 6.577 -7.207 12.422 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.625 -5.568 14.023 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.998 -7.196 14.553 1.00 0.00 H new ATOM 0 HG LEU A 11 7.320 -5.433 13.929 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.207 -4.358 16.143 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.834 -3.890 15.111 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.604 -5.085 16.409 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.247 -6.580 15.904 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.684 -7.393 16.160 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.636 -7.736 14.696 1.00 0.00 H new ATOM 170 N VAL A 12 5.001 -9.081 12.046 1.00 0.00 N ATOM 171 CA VAL A 12 4.118 -10.187 11.696 1.00 0.00 C ATOM 172 C VAL A 12 2.992 -10.336 12.713 1.00 0.00 C ATOM 173 O VAL A 12 3.233 -10.640 13.881 1.00 0.00 O ATOM 174 CB VAL A 12 4.891 -11.516 11.605 1.00 0.00 C ATOM 175 CG1 VAL A 12 5.845 -11.499 10.421 1.00 0.00 C ATOM 176 CG2 VAL A 12 5.640 -11.786 12.899 1.00 0.00 C ATOM 0 H VAL A 12 5.975 -9.349 12.191 1.00 0.00 H new ATOM 0 HA VAL A 12 3.693 -9.954 10.720 1.00 0.00 H new ATOM 0 HB VAL A 12 4.174 -12.323 11.452 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.382 -12.446 10.373 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.280 -11.355 9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.558 -10.683 10.540 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.180 -12.729 12.817 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.347 -10.978 13.086 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.931 -11.845 13.724 1.00 0.00 H new ATOM 186 N GLY A 13 1.760 -10.121 12.261 1.00 0.00 N ATOM 187 CA GLY A 13 0.615 -10.234 13.145 1.00 0.00 C ATOM 188 C GLY A 13 0.178 -8.893 13.704 1.00 0.00 C ATOM 189 O GLY A 13 -0.997 -8.694 14.009 1.00 0.00 O ATOM 0 H GLY A 13 1.535 -9.871 11.298 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.215 -10.686 12.603 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.861 -10.905 13.968 1.00 0.00 H new ATOM 193 N GLN A 14 1.129 -7.975 13.837 1.00 0.00 N ATOM 194 CA GLN A 14 0.839 -6.646 14.363 1.00 0.00 C ATOM 195 C GLN A 14 0.305 -5.724 13.268 1.00 0.00 C ATOM 196 O GLN A 14 -0.331 -4.710 13.554 1.00 0.00 O ATOM 197 CB GLN A 14 2.098 -6.039 14.989 1.00 0.00 C ATOM 198 CG GLN A 14 1.888 -5.532 16.407 1.00 0.00 C ATOM 199 CD GLN A 14 1.997 -4.023 16.509 1.00 0.00 C ATOM 200 OE1 GLN A 14 2.831 -3.402 15.849 1.00 0.00 O ATOM 201 NE2 GLN A 14 1.151 -3.424 17.340 1.00 0.00 N ATOM 0 H GLN A 14 2.107 -8.126 13.588 1.00 0.00 H new ATOM 0 HA GLN A 14 0.070 -6.747 15.129 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.889 -6.789 14.993 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.443 -5.215 14.365 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.906 -5.846 16.759 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.625 -5.991 17.066 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.476 -3.978 17.867 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.176 -2.410 17.451 1.00 0.00 H new ATOM 210 N GLU A 15 0.567 -6.082 12.012 1.00 0.00 N ATOM 211 CA GLU A 15 0.112 -5.283 10.878 1.00 0.00 C ATOM 212 C GLU A 15 -1.393 -5.037 10.946 1.00 0.00 C ATOM 213 O GLU A 15 -1.881 -3.992 10.520 1.00 0.00 O ATOM 214 CB GLU A 15 0.465 -5.981 9.564 1.00 0.00 C ATOM 215 CG GLU A 15 0.335 -5.084 8.343 1.00 0.00 C ATOM 216 CD GLU A 15 -0.872 -5.429 7.492 1.00 0.00 C ATOM 217 OE1 GLU A 15 -0.830 -6.466 6.797 1.00 0.00 O ATOM 218 OE2 GLU A 15 -1.857 -4.664 7.519 1.00 0.00 O ATOM 0 H GLU A 15 1.091 -6.919 11.755 1.00 0.00 H new ATOM 0 HA GLU A 15 0.619 -4.319 10.921 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.488 -6.353 9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.183 -6.848 9.438 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.262 -4.045 8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.238 -5.167 7.738 1.00 0.00 H new ATOM 225 N GLU A 16 -2.123 -6.007 11.489 1.00 0.00 N ATOM 226 CA GLU A 16 -3.573 -5.894 11.614 1.00 0.00 C ATOM 227 C GLU A 16 -3.956 -4.643 12.398 1.00 0.00 C ATOM 228 O GLU A 16 -4.934 -3.969 12.073 1.00 0.00 O ATOM 229 CB GLU A 16 -4.145 -7.136 12.301 1.00 0.00 C ATOM 230 CG GLU A 16 -4.612 -8.208 11.329 1.00 0.00 C ATOM 231 CD GLU A 16 -5.956 -8.796 11.711 1.00 0.00 C ATOM 232 OE1 GLU A 16 -6.026 -9.497 12.742 1.00 0.00 O ATOM 233 OE2 GLU A 16 -6.940 -8.554 10.980 1.00 0.00 O ATOM 0 H GLU A 16 -1.735 -6.879 11.849 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.994 -5.815 10.612 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.386 -7.559 12.959 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.983 -6.839 12.931 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.677 -7.782 10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.869 -9.005 11.288 1.00 0.00 H new ATOM 240 N LYS A 17 -3.178 -4.337 13.431 1.00 0.00 N ATOM 241 CA LYS A 17 -3.432 -3.165 14.261 1.00 0.00 C ATOM 242 C LYS A 17 -2.702 -1.941 13.716 1.00 0.00 C ATOM 243 O LYS A 17 -3.104 -0.804 13.970 1.00 0.00 O ATOM 244 CB LYS A 17 -2.997 -3.434 15.704 1.00 0.00 C ATOM 245 CG LYS A 17 -3.956 -2.873 16.743 1.00 0.00 C ATOM 246 CD LYS A 17 -4.682 -3.981 17.490 1.00 0.00 C ATOM 247 CE LYS A 17 -3.811 -4.577 18.585 1.00 0.00 C ATOM 248 NZ LYS A 17 -3.917 -6.062 18.632 1.00 0.00 N ATOM 0 H LYS A 17 -2.365 -4.885 13.714 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.503 -2.963 14.242 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.903 -4.510 15.852 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.009 -3.003 15.863 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.405 -2.256 17.452 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.684 -2.225 16.255 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.599 -3.586 17.927 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.974 -4.763 16.789 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.772 -4.292 18.418 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.104 -4.161 19.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.309 -6.430 19.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.904 -6.334 18.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.613 -6.461 17.721 1.00 0.00 H new ATOM 262 N ALA A 18 -1.629 -2.178 12.966 1.00 0.00 N ATOM 263 CA ALA A 18 -0.846 -1.093 12.388 1.00 0.00 C ATOM 264 C ALA A 18 -1.706 -0.202 11.499 1.00 0.00 C ATOM 265 O ALA A 18 -1.712 1.020 11.649 1.00 0.00 O ATOM 266 CB ALA A 18 0.326 -1.655 11.597 1.00 0.00 C ATOM 0 H ALA A 18 -1.283 -3.112 12.745 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.463 -0.481 13.205 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.903 -0.835 11.170 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.963 -2.242 12.258 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.048 -2.291 10.795 1.00 0.00 H new ATOM 272 N LYS A 19 -2.431 -0.821 10.570 1.00 0.00 N ATOM 273 CA LYS A 19 -3.295 -0.084 9.652 1.00 0.00 C ATOM 274 C LYS A 19 -4.208 0.878 10.407 1.00 0.00 C ATOM 275 O LYS A 19 -4.420 2.013 9.980 1.00 0.00 O ATOM 276 CB LYS A 19 -4.137 -1.056 8.823 1.00 0.00 C ATOM 277 CG LYS A 19 -5.012 -1.974 9.663 1.00 0.00 C ATOM 278 CD LYS A 19 -5.888 -2.860 8.793 1.00 0.00 C ATOM 279 CE LYS A 19 -6.514 -3.988 9.598 1.00 0.00 C ATOM 280 NZ LYS A 19 -7.559 -4.710 8.821 1.00 0.00 N ATOM 0 H LYS A 19 -2.437 -1.832 10.433 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.658 0.499 8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.770 -0.486 8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.474 -1.664 8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.382 -2.596 10.299 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.640 -1.376 10.323 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.674 -2.259 8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.292 -3.278 7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.738 -4.690 9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.954 -3.583 10.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.961 -5.471 9.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.312 -4.045 8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.134 -5.118 7.964 1.00 0.00 H new ATOM 294 N ALA A 20 -4.747 0.417 11.532 1.00 0.00 N ATOM 295 CA ALA A 20 -5.635 1.239 12.344 1.00 0.00 C ATOM 296 C ALA A 20 -4.881 2.413 12.961 1.00 0.00 C ATOM 297 O ALA A 20 -5.438 3.498 13.139 1.00 0.00 O ATOM 298 CB ALA A 20 -6.286 0.397 13.431 1.00 0.00 C ATOM 0 H ALA A 20 -4.584 -0.520 11.901 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.414 1.640 11.696 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.947 1.024 14.030 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.864 -0.405 12.973 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.514 -0.032 14.070 1.00 0.00 H new ATOM 304 N ASN A 21 -3.613 2.190 13.284 1.00 0.00 N ATOM 305 CA ASN A 21 -2.780 3.228 13.879 1.00 0.00 C ATOM 306 C ASN A 21 -2.560 4.375 12.900 1.00 0.00 C ATOM 307 O ASN A 21 -2.505 5.540 13.294 1.00 0.00 O ATOM 308 CB ASN A 21 -1.433 2.645 14.315 1.00 0.00 C ATOM 309 CG ASN A 21 -0.988 3.167 15.666 1.00 0.00 C ATOM 310 OD1 ASN A 21 -1.023 4.371 15.922 1.00 0.00 O ATOM 311 ND2 ASN A 21 -0.565 2.261 16.539 1.00 0.00 N ATOM 0 H ASN A 21 -3.138 1.298 13.144 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.298 3.617 14.755 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.506 1.558 14.355 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.677 2.887 13.568 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.252 2.552 17.465 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.553 1.273 16.284 1.00 0.00 H new ATOM 318 N LEU A 22 -2.433 4.038 11.620 1.00 0.00 N ATOM 319 CA LEU A 22 -2.219 5.044 10.585 1.00 0.00 C ATOM 320 C LEU A 22 -3.527 5.724 10.212 1.00 0.00 C ATOM 321 O LEU A 22 -3.631 6.946 10.245 1.00 0.00 O ATOM 322 CB LEU A 22 -1.597 4.410 9.338 1.00 0.00 C ATOM 323 CG LEU A 22 -0.639 3.251 9.605 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.017 2.796 8.311 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.414 3.657 10.627 1.00 0.00 C ATOM 0 H LEU A 22 -2.474 3.079 11.275 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.534 5.792 10.985 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.400 4.055 8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.062 5.183 8.786 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.209 2.416 10.013 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.697 1.970 8.519 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.750 2.467 7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.576 3.624 7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.089 2.820 10.806 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.982 4.506 10.247 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.074 3.936 11.561 1.00 0.00 H new ATOM 337 N GLU A 23 -4.522 4.921 9.846 1.00 0.00 N ATOM 338 CA GLU A 23 -5.830 5.446 9.454 1.00 0.00 C ATOM 339 C GLU A 23 -6.301 6.546 10.401 1.00 0.00 C ATOM 340 O GLU A 23 -7.005 7.470 9.992 1.00 0.00 O ATOM 341 CB GLU A 23 -6.863 4.316 9.412 1.00 0.00 C ATOM 342 CG GLU A 23 -7.968 4.542 8.395 1.00 0.00 C ATOM 343 CD GLU A 23 -9.336 4.158 8.925 1.00 0.00 C ATOM 344 OE1 GLU A 23 -9.538 2.967 9.241 1.00 0.00 O ATOM 345 OE2 GLU A 23 -10.206 5.050 9.025 1.00 0.00 O ATOM 0 H GLU A 23 -4.449 3.904 9.812 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.727 5.880 8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.355 3.379 9.183 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.308 4.204 10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.978 5.592 8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.754 3.962 7.497 1.00 0.00 H new ATOM 352 N LYS A 24 -5.907 6.446 11.666 1.00 0.00 N ATOM 353 CA LYS A 24 -6.287 7.442 12.660 1.00 0.00 C ATOM 354 C LYS A 24 -5.360 8.649 12.594 1.00 0.00 C ATOM 355 O LYS A 24 -5.790 9.786 12.785 1.00 0.00 O ATOM 356 CB LYS A 24 -6.256 6.833 14.064 1.00 0.00 C ATOM 357 CG LYS A 24 -7.531 6.094 14.436 1.00 0.00 C ATOM 358 CD LYS A 24 -7.525 5.676 15.898 1.00 0.00 C ATOM 359 CE LYS A 24 -8.405 4.459 16.135 1.00 0.00 C ATOM 360 NZ LYS A 24 -7.643 3.334 16.745 1.00 0.00 N ATOM 0 H LYS A 24 -5.327 5.688 12.026 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.303 7.772 12.441 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.414 6.145 14.134 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.081 7.626 14.791 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.393 6.733 14.242 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.639 5.212 13.805 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.504 5.454 16.210 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.874 6.504 16.515 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.234 4.732 16.788 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.838 4.134 15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.278 2.523 16.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.867 3.056 16.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.251 3.636 17.660 1.00 0.00 H new ATOM 374 N ARG A 25 -4.087 8.394 12.312 1.00 0.00 N ATOM 375 CA ARG A 25 -3.099 9.458 12.208 1.00 0.00 C ATOM 376 C ARG A 25 -3.186 10.148 10.850 1.00 0.00 C ATOM 377 O ARG A 25 -2.810 11.311 10.709 1.00 0.00 O ATOM 378 CB ARG A 25 -1.691 8.899 12.424 1.00 0.00 C ATOM 379 CG ARG A 25 -1.363 8.626 13.884 1.00 0.00 C ATOM 380 CD ARG A 25 -1.438 9.894 14.721 1.00 0.00 C ATOM 381 NE ARG A 25 -2.554 9.863 15.663 1.00 0.00 N ATOM 382 CZ ARG A 25 -2.528 9.207 16.822 1.00 0.00 C ATOM 383 NH1 ARG A 25 -1.447 8.524 17.181 1.00 0.00 N ATOM 384 NH2 ARG A 25 -3.585 9.233 17.621 1.00 0.00 N ATOM 0 H ARG A 25 -3.716 7.458 12.151 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.310 10.195 12.983 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.585 7.974 11.857 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.963 9.604 12.022 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.057 7.885 14.281 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.363 8.198 13.959 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.505 10.022 15.269 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.543 10.757 14.063 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.403 10.373 15.419 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.632 8.500 16.568 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.432 8.023 18.070 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.418 9.755 17.348 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.566 8.731 18.509 1.00 0.00 H new ATOM 398 N ILE A 26 -3.689 9.425 9.853 1.00 0.00 N ATOM 399 CA ILE A 26 -3.830 9.969 8.510 1.00 0.00 C ATOM 400 C ILE A 26 -5.088 10.828 8.405 1.00 0.00 C ATOM 401 O ILE A 26 -5.144 11.767 7.609 1.00 0.00 O ATOM 402 CB ILE A 26 -3.888 8.849 7.450 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.619 7.996 7.508 1.00 0.00 C ATOM 404 CG2 ILE A 26 -4.070 9.438 6.056 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.365 8.746 7.113 1.00 0.00 C ATOM 0 H ILE A 26 -4.005 8.460 9.952 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.952 10.586 8.318 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.746 8.213 7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.497 7.609 8.520 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.740 7.135 6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.109 8.632 5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.999 10.006 6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.232 10.097 5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.506 8.078 7.178 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.465 9.110 6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.219 9.591 7.786 1.00 0.00 H new ATOM 417 N LYS A 27 -6.094 10.501 9.212 1.00 0.00 N ATOM 418 CA LYS A 27 -7.348 11.245 9.207 1.00 0.00 C ATOM 419 C LYS A 27 -7.314 12.378 10.230 1.00 0.00 C ATOM 420 O LYS A 27 -7.952 13.414 10.044 1.00 0.00 O ATOM 421 CB LYS A 27 -8.522 10.310 9.504 1.00 0.00 C ATOM 422 CG LYS A 27 -9.870 10.881 9.100 1.00 0.00 C ATOM 423 CD LYS A 27 -10.944 9.805 9.070 1.00 0.00 C ATOM 424 CE LYS A 27 -12.310 10.373 9.412 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.367 9.323 9.395 1.00 0.00 N ATOM 0 H LYS A 27 -6.064 9.727 9.876 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.479 11.679 8.216 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.365 9.366 8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.536 10.086 10.571 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.159 11.665 9.800 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.790 11.345 8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.976 9.349 8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.690 9.016 9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.274 10.837 10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.566 11.158 8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.285 9.750 9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.419 8.898 8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.136 8.587 10.092 1.00 0.00 H new ATOM 439 N ALA A 28 -6.567 12.171 11.308 1.00 0.00 N ATOM 440 CA ALA A 28 -6.449 13.174 12.360 1.00 0.00 C ATOM 441 C ALA A 28 -5.581 14.344 11.911 1.00 0.00 C ATOM 442 O ALA A 28 -5.909 15.504 12.157 1.00 0.00 O ATOM 443 CB ALA A 28 -5.881 12.547 13.624 1.00 0.00 C ATOM 0 H ALA A 28 -6.034 11.318 11.477 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.446 13.559 12.574 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.798 13.307 14.401 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.543 11.750 13.964 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.894 12.134 13.414 1.00 0.00 H new ATOM 449 N PHE A 29 -4.471 14.031 11.250 1.00 0.00 N ATOM 450 CA PHE A 29 -3.554 15.057 10.767 1.00 0.00 C ATOM 451 C PHE A 29 -4.062 15.672 9.464 1.00 0.00 C ATOM 452 O PHE A 29 -3.772 16.829 9.160 1.00 0.00 O ATOM 453 CB PHE A 29 -2.159 14.467 10.555 1.00 0.00 C ATOM 454 CG PHE A 29 -1.309 14.476 11.795 1.00 0.00 C ATOM 455 CD1 PHE A 29 -0.833 15.669 12.314 1.00 0.00 C ATOM 456 CD2 PHE A 29 -0.987 13.293 12.439 1.00 0.00 C ATOM 457 CE1 PHE A 29 -0.050 15.681 13.453 1.00 0.00 C ATOM 458 CE2 PHE A 29 -0.205 13.299 13.577 1.00 0.00 C ATOM 459 CZ PHE A 29 0.264 14.494 14.086 1.00 0.00 C ATOM 0 H PHE A 29 -4.185 13.075 11.037 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.498 15.842 11.521 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.257 13.441 10.199 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.651 15.029 9.772 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.076 16.600 11.823 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.352 12.355 12.047 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.316 16.617 13.848 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.040 12.369 14.069 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.875 14.501 14.977 1.00 0.00 H new ATOM 469 N GLY A 30 -4.818 14.890 8.701 1.00 0.00 N ATOM 470 CA GLY A 30 -5.351 15.375 7.442 1.00 0.00 C ATOM 471 C GLY A 30 -4.402 15.141 6.284 1.00 0.00 C ATOM 472 O GLY A 30 -3.986 16.084 5.611 1.00 0.00 O ATOM 0 H GLY A 30 -5.071 13.929 8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.299 14.879 7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.561 16.441 7.526 1.00 0.00 H new ATOM 476 N LEU A 31 -4.058 13.878 6.049 1.00 0.00 N ATOM 477 CA LEU A 31 -3.152 13.521 4.965 1.00 0.00 C ATOM 478 C LEU A 31 -3.870 12.694 3.903 1.00 0.00 C ATOM 479 O LEU A 31 -3.263 11.849 3.245 1.00 0.00 O ATOM 480 CB LEU A 31 -1.953 12.741 5.511 1.00 0.00 C ATOM 481 CG LEU A 31 -1.367 13.284 6.816 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.918 12.143 7.718 1.00 0.00 C ATOM 483 CD2 LEU A 31 -0.207 14.225 6.525 1.00 0.00 C ATOM 0 H LEU A 31 -4.394 13.085 6.596 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.799 14.443 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.254 11.705 5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.169 12.733 4.754 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.144 13.844 7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.504 12.550 8.641 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.772 11.507 7.952 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.156 11.554 7.208 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.199 14.603 7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.571 13.687 5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.559 15.060 5.920 1.00 0.00 H new ATOM 495 N GLN A 32 -5.165 12.946 3.739 1.00 0.00 N ATOM 496 CA GLN A 32 -5.966 12.226 2.756 1.00 0.00 C ATOM 497 C GLN A 32 -5.632 12.675 1.334 1.00 0.00 C ATOM 498 O GLN A 32 -6.058 12.050 0.362 1.00 0.00 O ATOM 499 CB GLN A 32 -7.456 12.435 3.032 1.00 0.00 C ATOM 500 CG GLN A 32 -7.995 11.559 4.152 1.00 0.00 C ATOM 501 CD GLN A 32 -9.273 12.105 4.757 1.00 0.00 C ATOM 502 OE1 GLN A 32 -9.384 13.300 5.026 1.00 0.00 O ATOM 503 NE2 GLN A 32 -10.247 11.228 4.974 1.00 0.00 N ATOM 0 H GLN A 32 -5.682 13.644 4.274 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.729 11.166 2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.627 13.481 3.286 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.018 12.232 2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.180 10.556 3.767 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.239 11.467 4.932 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.111 10.246 4.735 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.131 11.537 5.379 1.00 0.00 H new ATOM 512 N ASP A 33 -4.869 13.760 1.215 1.00 0.00 N ATOM 513 CA ASP A 33 -4.486 14.284 -0.091 1.00 0.00 C ATOM 514 C ASP A 33 -3.320 13.491 -0.678 1.00 0.00 C ATOM 515 O ASP A 33 -3.136 13.450 -1.895 1.00 0.00 O ATOM 516 CB ASP A 33 -4.109 15.763 0.022 1.00 0.00 C ATOM 517 CG ASP A 33 -4.962 16.646 -0.869 1.00 0.00 C ATOM 518 OD1 ASP A 33 -5.055 16.354 -2.080 1.00 0.00 O ATOM 519 OD2 ASP A 33 -5.537 17.629 -0.356 1.00 0.00 O ATOM 0 H ASP A 33 -4.505 14.291 2.006 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.341 14.183 -0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.217 16.085 1.058 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.059 15.889 -0.244 1.00 0.00 H new ATOM 524 N LYS A 34 -2.534 12.863 0.192 1.00 0.00 N ATOM 525 CA LYS A 34 -1.388 12.073 -0.244 1.00 0.00 C ATOM 526 C LYS A 34 -1.777 10.611 -0.438 1.00 0.00 C ATOM 527 O LYS A 34 -1.690 10.076 -1.542 1.00 0.00 O ATOM 528 CB LYS A 34 -0.250 12.181 0.773 1.00 0.00 C ATOM 529 CG LYS A 34 0.606 13.425 0.599 1.00 0.00 C ATOM 530 CD LYS A 34 0.019 14.614 1.345 1.00 0.00 C ATOM 531 CE LYS A 34 0.430 15.931 0.706 1.00 0.00 C ATOM 532 NZ LYS A 34 -0.649 16.492 -0.154 1.00 0.00 N ATOM 0 H LYS A 34 -2.670 12.886 1.203 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.048 12.469 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.671 12.178 1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.385 11.299 0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.615 13.228 0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.690 13.665 -0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.068 14.537 1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.350 14.593 2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.683 16.649 1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.329 15.780 0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.263 17.260 -0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.026 15.744 -0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.413 16.864 0.446 1.00 0.00 H new ATOM 546 N ILE A 35 -2.208 9.971 0.645 1.00 0.00 N ATOM 547 CA ILE A 35 -2.613 8.571 0.594 1.00 0.00 C ATOM 548 C ILE A 35 -4.027 8.434 0.040 1.00 0.00 C ATOM 549 O ILE A 35 -4.996 8.845 0.677 1.00 0.00 O ATOM 550 CB ILE A 35 -2.556 7.916 1.988 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.251 8.283 2.699 1.00 0.00 C ATOM 552 CG2 ILE A 35 -2.694 6.406 1.869 1.00 0.00 C ATOM 553 CD1 ILE A 35 -0.015 7.762 1.999 1.00 0.00 C ATOM 0 H ILE A 35 -2.286 10.399 1.567 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.911 8.061 -0.066 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.388 8.293 2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.183 9.368 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.277 7.889 3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.652 5.957 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.648 6.164 1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.881 6.013 1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.872 8.059 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.060 6.674 1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.035 8.176 0.992 1.00 0.00 H new ATOM 565 N PHE A 36 -4.138 7.858 -1.153 1.00 0.00 N ATOM 566 CA PHE A 36 -5.436 7.674 -1.793 1.00 0.00 C ATOM 567 C PHE A 36 -5.947 6.252 -1.603 1.00 0.00 C ATOM 568 O PHE A 36 -7.028 6.038 -1.055 1.00 0.00 O ATOM 569 CB PHE A 36 -5.348 7.986 -3.288 1.00 0.00 C ATOM 570 CG PHE A 36 -4.519 9.196 -3.607 1.00 0.00 C ATOM 571 CD1 PHE A 36 -4.975 10.467 -3.298 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.284 9.059 -4.216 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.212 11.581 -3.591 1.00 0.00 C ATOM 574 CE2 PHE A 36 -2.517 10.168 -4.512 1.00 0.00 C ATOM 575 CZ PHE A 36 -2.981 11.431 -4.200 1.00 0.00 C ATOM 0 H PHE A 36 -3.347 7.511 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.135 8.364 -1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.929 7.123 -3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.355 8.134 -3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.937 10.588 -2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.916 8.074 -4.462 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.577 12.567 -3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.555 10.048 -4.987 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.383 12.300 -4.432 1.00 0.00 H new ATOM 585 N GLN A 37 -5.169 5.282 -2.072 1.00 0.00 N ATOM 586 CA GLN A 37 -5.556 3.881 -1.962 1.00 0.00 C ATOM 587 C GLN A 37 -4.688 3.140 -0.948 1.00 0.00 C ATOM 588 O GLN A 37 -3.503 3.430 -0.796 1.00 0.00 O ATOM 589 CB GLN A 37 -5.468 3.200 -3.331 1.00 0.00 C ATOM 590 CG GLN A 37 -6.812 2.741 -3.867 1.00 0.00 C ATOM 591 CD GLN A 37 -7.081 3.234 -5.275 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.647 2.462 -6.265 1.00 0.00 O flip ATOM 593 NE2 GLN A 37 -7.673 4.295 -5.471 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.271 5.439 -2.530 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.587 3.845 -1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.019 3.892 -4.044 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.802 2.340 -3.258 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.850 1.652 -3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.602 3.095 -3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.989 4.856 -4.680 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.848 4.613 -6.424 1.00 0.00 H new ATOM 602 N VAL A 38 -5.295 2.179 -0.258 1.00 0.00 N ATOM 603 CA VAL A 38 -4.593 1.385 0.742 1.00 0.00 C ATOM 604 C VAL A 38 -5.250 0.017 0.903 1.00 0.00 C ATOM 605 O VAL A 38 -6.411 -0.080 1.298 1.00 0.00 O ATOM 606 CB VAL A 38 -4.566 2.093 2.110 1.00 0.00 C ATOM 607 CG1 VAL A 38 -3.678 1.338 3.086 1.00 0.00 C ATOM 608 CG2 VAL A 38 -4.098 3.533 1.956 1.00 0.00 C ATOM 0 H VAL A 38 -6.277 1.931 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.569 1.261 0.390 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.579 2.105 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.672 1.854 4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.062 0.327 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.662 1.291 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.085 4.018 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.094 3.546 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.779 4.068 1.294 1.00 0.00 H new ATOM 618 N LEU A 39 -4.505 -1.036 0.587 1.00 0.00 N ATOM 619 CA LEU A 39 -5.024 -2.396 0.689 1.00 0.00 C ATOM 620 C LEU A 39 -4.114 -3.273 1.542 1.00 0.00 C ATOM 621 O LEU A 39 -2.922 -2.996 1.689 1.00 0.00 O ATOM 622 CB LEU A 39 -5.175 -3.011 -0.705 1.00 0.00 C ATOM 623 CG LEU A 39 -6.522 -2.760 -1.383 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.646 -3.423 -0.599 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.776 -1.266 -1.526 1.00 0.00 C ATOM 0 H LEU A 39 -3.541 -0.975 0.259 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.001 -2.345 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.385 -2.619 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.019 -4.087 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.494 -3.200 -2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.597 -3.234 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.470 -4.498 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.676 -3.013 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.739 -1.105 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.784 -0.802 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.987 -0.819 -2.130 1.00 0.00 H new ATOM 637 N ILE A 40 -4.685 -4.336 2.098 1.00 0.00 N ATOM 638 CA ILE A 40 -3.933 -5.266 2.931 1.00 0.00 C ATOM 639 C ILE A 40 -3.689 -6.580 2.187 1.00 0.00 C ATOM 640 O ILE A 40 -4.632 -7.214 1.713 1.00 0.00 O ATOM 641 CB ILE A 40 -4.674 -5.556 4.253 1.00 0.00 C ATOM 642 CG1 ILE A 40 -3.871 -6.533 5.117 1.00 0.00 C ATOM 643 CG2 ILE A 40 -6.067 -6.105 3.973 1.00 0.00 C ATOM 644 CD1 ILE A 40 -4.005 -6.278 6.603 1.00 0.00 C ATOM 0 H ILE A 40 -5.670 -4.575 1.986 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.976 -4.798 3.161 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.778 -4.621 4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.198 -7.550 4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.819 -6.470 4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.576 -6.304 4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.638 -5.374 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.986 -7.030 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.410 -7.007 7.152 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.651 -5.273 6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.051 -6.370 6.895 1.00 0.00 H new ATOM 656 N PRO A 41 -2.417 -7.003 2.063 1.00 0.00 N ATOM 657 CA PRO A 41 -2.062 -8.243 1.362 1.00 0.00 C ATOM 658 C PRO A 41 -2.610 -9.490 2.053 1.00 0.00 C ATOM 659 O PRO A 41 -1.854 -10.287 2.613 1.00 0.00 O ATOM 660 CB PRO A 41 -0.531 -8.249 1.387 1.00 0.00 C ATOM 661 CG PRO A 41 -0.160 -7.361 2.523 1.00 0.00 C ATOM 662 CD PRO A 41 -1.228 -6.307 2.587 1.00 0.00 C ATOM 0 HA PRO A 41 -2.486 -8.269 0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.143 -9.257 1.531 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.120 -7.880 0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.108 -7.922 3.456 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.821 -6.914 2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.385 -5.953 3.606 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.972 -5.436 1.983 1.00 0.00 H new ATOM 670 N THR A 42 -3.927 -9.653 2.000 1.00 0.00 N ATOM 671 CA THR A 42 -4.583 -10.805 2.612 1.00 0.00 C ATOM 672 C THR A 42 -5.730 -11.294 1.736 1.00 0.00 C ATOM 673 O THR A 42 -6.552 -10.503 1.272 1.00 0.00 O ATOM 674 CB THR A 42 -5.102 -10.445 4.005 1.00 0.00 C ATOM 675 OG1 THR A 42 -5.856 -9.247 3.965 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.001 -10.262 5.027 1.00 0.00 C ATOM 0 H THR A 42 -4.563 -9.002 1.539 1.00 0.00 H new ATOM 0 HA THR A 42 -3.851 -11.607 2.707 1.00 0.00 H new ATOM 0 HB THR A 42 -5.719 -11.290 4.310 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.382 -9.219 3.139 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.439 -10.008 5.992 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.432 -11.187 5.119 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.338 -9.458 4.707 1.00 0.00 H new ATOM 948 N LYS A 59 -6.098 -15.442 4.140 1.00 0.00 N ATOM 949 CA LYS A 59 -4.824 -16.083 3.836 1.00 0.00 C ATOM 950 C LYS A 59 -3.770 -15.039 3.482 1.00 0.00 C ATOM 951 O LYS A 59 -3.695 -14.581 2.342 1.00 0.00 O ATOM 952 CB LYS A 59 -4.985 -17.076 2.682 1.00 0.00 C ATOM 953 CG LYS A 59 -6.193 -17.988 2.826 1.00 0.00 C ATOM 954 CD LYS A 59 -5.797 -19.363 3.344 1.00 0.00 C ATOM 955 CE LYS A 59 -6.229 -19.561 4.787 1.00 0.00 C ATOM 956 NZ LYS A 59 -5.214 -20.317 5.572 1.00 0.00 N ATOM 0 HA LYS A 59 -4.496 -16.625 4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.068 -16.522 1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.085 -17.687 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.913 -17.535 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.689 -18.091 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.250 -20.133 2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.717 -19.485 3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.398 -18.590 5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.179 -20.095 4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.546 -20.431 6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.071 -21.254 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.315 -19.795 5.570 1.00 0.00 H new ATOM 970 N LYS A 60 -2.962 -14.662 4.469 1.00 0.00 N ATOM 971 CA LYS A 60 -1.915 -13.666 4.267 1.00 0.00 C ATOM 972 C LYS A 60 -1.040 -14.016 3.067 1.00 0.00 C ATOM 973 O LYS A 60 -0.394 -15.063 3.038 1.00 0.00 O ATOM 974 CB LYS A 60 -1.049 -13.546 5.522 1.00 0.00 C ATOM 975 CG LYS A 60 -1.668 -12.679 6.606 1.00 0.00 C ATOM 976 CD LYS A 60 -1.522 -13.312 7.982 1.00 0.00 C ATOM 977 CE LYS A 60 -1.224 -12.270 9.047 1.00 0.00 C ATOM 978 NZ LYS A 60 -1.832 -12.625 10.358 1.00 0.00 N ATOM 0 H LYS A 60 -3.013 -15.032 5.418 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.399 -12.710 4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.867 -14.542 5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.079 -13.132 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.192 -11.698 6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.724 -12.522 6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.439 -13.843 8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.721 -14.051 7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.145 -12.168 9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.602 -11.301 8.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.605 -11.889 11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.864 -12.697 10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.452 -13.538 10.681 1.00 0.00 H new ATOM 992 N LEU A 61 -1.023 -13.128 2.076 1.00 0.00 N ATOM 993 CA LEU A 61 -0.226 -13.340 0.873 1.00 0.00 C ATOM 994 C LEU A 61 1.173 -12.753 1.038 1.00 0.00 C ATOM 995 O LEU A 61 2.167 -13.383 0.680 1.00 0.00 O ATOM 996 CB LEU A 61 -0.917 -12.711 -0.339 1.00 0.00 C ATOM 997 CG LEU A 61 -2.135 -13.476 -0.860 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.674 -12.824 -2.124 1.00 0.00 C ATOM 999 CD2 LEU A 61 -1.779 -14.933 -1.118 1.00 0.00 C ATOM 0 H LEU A 61 -1.552 -12.256 2.083 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.133 -14.414 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.227 -11.700 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.190 -12.622 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.914 -13.443 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.540 -13.382 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.968 -11.797 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.901 -12.825 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.657 -15.462 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.983 -14.987 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.441 -15.395 -0.190 1.00 0.00 H new ATOM 1011 N PHE A 62 1.242 -11.544 1.588 1.00 0.00 N ATOM 1012 CA PHE A 62 2.522 -10.874 1.802 1.00 0.00 C ATOM 1013 C PHE A 62 2.783 -10.676 3.294 1.00 0.00 C ATOM 1014 O PHE A 62 2.382 -9.668 3.878 1.00 0.00 O ATOM 1015 CB PHE A 62 2.548 -9.527 1.076 1.00 0.00 C ATOM 1016 CG PHE A 62 2.249 -9.633 -0.393 1.00 0.00 C ATOM 1017 CD1 PHE A 62 1.000 -10.042 -0.831 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.218 -9.328 -1.333 1.00 0.00 C ATOM 1019 CE1 PHE A 62 0.723 -10.143 -2.180 1.00 0.00 C ATOM 1020 CE2 PHE A 62 2.948 -9.427 -2.685 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.698 -9.835 -3.109 1.00 0.00 C ATOM 0 H PHE A 62 0.429 -11.009 1.893 1.00 0.00 H new ATOM 0 HA PHE A 62 3.311 -11.506 1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.822 -8.859 1.539 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.529 -9.071 1.207 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.234 -10.285 -0.109 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.197 -9.009 -1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.255 -10.462 -2.509 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.713 -9.186 -3.409 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.483 -9.913 -4.165 1.00 0.00 H new ATOM 1031 N PRO A 63 3.462 -11.647 3.934 1.00 0.00 N ATOM 1032 CA PRO A 63 3.776 -11.589 5.365 1.00 0.00 C ATOM 1033 C PRO A 63 4.305 -10.226 5.804 1.00 0.00 C ATOM 1034 O PRO A 63 5.361 -9.782 5.351 1.00 0.00 O ATOM 1035 CB PRO A 63 4.855 -12.655 5.524 1.00 0.00 C ATOM 1036 CG PRO A 63 4.549 -13.658 4.466 1.00 0.00 C ATOM 1037 CD PRO A 63 3.970 -12.885 3.310 1.00 0.00 C ATOM 0 HA PRO A 63 2.891 -11.752 5.980 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.852 -12.233 5.394 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.826 -13.104 6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.450 -14.193 4.165 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.842 -14.404 4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.725 -12.671 2.553 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.173 -13.441 2.816 1.00 0.00 H new ATOM 1045 N GLY A 64 3.568 -9.574 6.697 1.00 0.00 N ATOM 1046 CA GLY A 64 3.976 -8.274 7.198 1.00 0.00 C ATOM 1047 C GLY A 64 4.203 -7.259 6.094 1.00 0.00 C ATOM 1048 O GLY A 64 5.258 -6.630 6.032 1.00 0.00 O ATOM 0 H GLY A 64 2.692 -9.924 7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.213 -7.897 7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.893 -8.385 7.776 1.00 0.00 H new ATOM 1052 N TYR A 65 3.209 -7.091 5.227 1.00 0.00 N ATOM 1053 CA TYR A 65 3.311 -6.136 4.129 1.00 0.00 C ATOM 1054 C TYR A 65 2.056 -5.271 4.046 1.00 0.00 C ATOM 1055 O TYR A 65 0.961 -5.714 4.392 1.00 0.00 O ATOM 1056 CB TYR A 65 3.537 -6.867 2.803 1.00 0.00 C ATOM 1057 CG TYR A 65 4.880 -6.575 2.173 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.333 -5.270 2.030 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.695 -7.606 1.721 1.00 0.00 C ATOM 1060 CE1 TYR A 65 6.560 -4.999 1.454 1.00 0.00 C ATOM 1061 CE2 TYR A 65 6.924 -7.345 1.145 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.352 -6.041 1.013 1.00 0.00 C ATOM 1063 OH TYR A 65 8.576 -5.778 0.436 1.00 0.00 O ATOM 0 H TYR A 65 2.327 -7.602 5.263 1.00 0.00 H new ATOM 0 HA TYR A 65 4.165 -5.487 4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.449 -7.941 2.970 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.749 -6.587 2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.716 -4.453 2.375 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.362 -8.629 1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.897 -3.978 1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.546 -8.158 0.800 1.00 0.00 H new ATOM 0 HH TYR A 65 9.291 -6.036 1.054 1.00 0.00 H new ATOM 1073 N LEU A 66 2.224 -4.035 3.589 1.00 0.00 N ATOM 1074 CA LEU A 66 1.105 -3.106 3.463 1.00 0.00 C ATOM 1075 C LEU A 66 1.260 -2.232 2.222 1.00 0.00 C ATOM 1076 O LEU A 66 2.219 -1.469 2.106 1.00 0.00 O ATOM 1077 CB LEU A 66 1.001 -2.229 4.712 1.00 0.00 C ATOM 1078 CG LEU A 66 -0.043 -2.678 5.735 1.00 0.00 C ATOM 1079 CD1 LEU A 66 0.094 -1.882 7.023 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.446 -2.531 5.162 1.00 0.00 C ATOM 0 H LEU A 66 3.124 -3.652 3.299 1.00 0.00 H new ATOM 0 HA LEU A 66 0.190 -3.689 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.976 -2.201 5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.769 -1.210 4.403 1.00 0.00 H new ATOM 0 HG LEU A 66 0.128 -3.730 5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.657 -2.216 7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.088 -2.036 7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.051 -0.822 6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.177 -2.855 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.627 -1.487 4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.540 -3.146 4.267 1.00 0.00 H new ATOM 1092 N PHE A 67 0.312 -2.348 1.298 1.00 0.00 N ATOM 1093 CA PHE A 67 0.345 -1.566 0.066 1.00 0.00 C ATOM 1094 C PHE A 67 -0.352 -0.224 0.258 1.00 0.00 C ATOM 1095 O PHE A 67 -1.443 -0.154 0.822 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.313 -2.343 -1.074 1.00 0.00 C ATOM 1097 CG PHE A 67 0.109 -3.784 -1.135 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.448 -4.131 -1.044 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.832 -4.789 -1.281 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.839 -5.457 -1.098 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.447 -6.113 -1.334 1.00 0.00 C ATOM 1102 CZ PHE A 67 0.890 -6.448 -1.243 1.00 0.00 C ATOM 0 H PHE A 67 -0.488 -2.975 1.378 1.00 0.00 H new ATOM 0 HA PHE A 67 1.388 -1.378 -0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.396 -2.294 -0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.070 -1.860 -2.021 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.194 -3.358 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.879 -4.534 -1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.885 -5.716 -1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.191 -6.888 -1.447 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.192 -7.484 -1.285 1.00 0.00 H new ATOM 1112 N ILE A 68 0.291 0.840 -0.212 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.260 2.185 -0.085 1.00 0.00 C ATOM 1114 C ILE A 68 -0.121 2.963 -1.393 1.00 0.00 C ATOM 1115 O ILE A 68 0.984 3.313 -1.803 1.00 0.00 O ATOM 1116 CB ILE A 68 0.443 2.966 1.045 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.240 2.262 2.389 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.073 4.398 1.114 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.504 2.162 3.215 1.00 0.00 C ATOM 0 H ILE A 68 1.194 0.797 -0.684 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.318 2.078 0.156 1.00 0.00 H new ATOM 0 HB ILE A 68 1.510 2.996 0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.517 2.799 2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.148 1.259 2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.436 4.930 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.121 4.901 0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.146 4.389 1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.286 1.652 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.256 1.599 2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.882 3.163 3.425 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.249 3.242 -2.039 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.244 3.986 -3.294 1.00 0.00 C ATOM 1133 C GLN A 69 -1.097 5.481 -3.026 1.00 0.00 C ATOM 1134 O GLN A 69 -2.020 6.262 -3.265 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.529 3.721 -4.080 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.363 3.880 -5.583 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.653 3.636 -6.342 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.595 4.564 -6.223 1.00 0.00 O flip ATOM 1139 NE2 GLN A 69 -3.799 2.626 -7.030 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.176 2.965 -1.715 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.394 3.649 -3.888 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.875 2.710 -3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.305 4.404 -3.734 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.003 4.885 -5.800 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.601 3.185 -5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.048 1.939 -7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.671 2.476 -7.537 1.00 0.00 H new ATOM 1148 N MET A 70 0.073 5.866 -2.522 1.00 0.00 N ATOM 1149 CA MET A 70 0.358 7.264 -2.214 1.00 0.00 C ATOM 1150 C MET A 70 0.999 7.974 -3.404 1.00 0.00 C ATOM 1151 O MET A 70 1.034 7.439 -4.512 1.00 0.00 O ATOM 1152 CB MET A 70 1.266 7.366 -0.985 1.00 0.00 C ATOM 1153 CG MET A 70 2.680 6.858 -1.222 1.00 0.00 C ATOM 1154 SD MET A 70 3.416 6.145 0.263 1.00 0.00 S ATOM 1155 CE MET A 70 4.510 7.467 0.771 1.00 0.00 C ATOM 0 H MET A 70 0.841 5.227 -2.318 1.00 0.00 H new ATOM 0 HA MET A 70 -0.589 7.758 -1.996 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.313 8.407 -0.665 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.819 6.801 -0.167 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.665 6.108 -2.012 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.304 7.680 -1.574 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.127 7.129 1.604 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.151 7.750 -0.064 1.00 0.00 H new ATOM 0 HE3 MET A 70 3.919 8.328 1.083 1.00 0.00 H new ATOM 1165 N ASP A 71 1.513 9.176 -3.163 1.00 0.00 N ATOM 1166 CA ASP A 71 2.161 9.959 -4.207 1.00 0.00 C ATOM 1167 C ASP A 71 3.319 10.770 -3.635 1.00 0.00 C ATOM 1168 O ASP A 71 3.111 11.741 -2.906 1.00 0.00 O ATOM 1169 CB ASP A 71 1.151 10.893 -4.876 1.00 0.00 C ATOM 1170 CG ASP A 71 1.764 11.704 -6.000 1.00 0.00 C ATOM 1171 OD1 ASP A 71 2.730 12.451 -5.734 1.00 0.00 O ATOM 1172 OD2 ASP A 71 1.280 11.595 -7.145 1.00 0.00 O ATOM 0 H ASP A 71 1.493 9.630 -2.250 1.00 0.00 H new ATOM 0 HA ASP A 71 2.555 9.269 -4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.321 10.304 -5.268 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.737 11.570 -4.129 1.00 0.00 H new ATOM 1177 N LEU A 72 4.542 10.366 -3.966 1.00 0.00 N ATOM 1178 CA LEU A 72 5.731 11.057 -3.482 1.00 0.00 C ATOM 1179 C LEU A 72 6.001 12.313 -4.304 1.00 0.00 C ATOM 1180 O LEU A 72 5.874 13.432 -3.808 1.00 0.00 O ATOM 1181 CB LEU A 72 6.946 10.124 -3.534 1.00 0.00 C ATOM 1182 CG LEU A 72 7.418 9.592 -2.178 1.00 0.00 C ATOM 1183 CD1 LEU A 72 8.720 8.819 -2.333 1.00 0.00 C ATOM 1184 CD2 LEU A 72 7.589 10.732 -1.186 1.00 0.00 C ATOM 0 H LEU A 72 4.735 9.565 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 72 5.555 11.353 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.706 9.276 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.772 10.656 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 72 6.658 8.913 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.041 8.448 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.566 7.978 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.487 9.477 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.925 10.334 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.329 11.437 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.636 11.244 -1.052 1.00 0.00 H new ATOM 1245 N GLU A 77 13.449 14.878 -0.777 1.00 0.00 N ATOM 1246 CA GLU A 77 12.756 14.654 0.486 1.00 0.00 C ATOM 1247 C GLU A 77 11.307 14.231 0.246 1.00 0.00 C ATOM 1248 O GLU A 77 10.630 14.784 -0.621 1.00 0.00 O ATOM 1249 CB GLU A 77 12.794 15.921 1.343 1.00 0.00 C ATOM 1250 CG GLU A 77 12.170 15.745 2.719 1.00 0.00 C ATOM 1251 CD GLU A 77 11.730 17.060 3.331 1.00 0.00 C ATOM 1252 OE1 GLU A 77 12.591 17.769 3.896 1.00 0.00 O ATOM 1253 OE2 GLU A 77 10.528 17.382 3.246 1.00 0.00 O ATOM 0 HA GLU A 77 13.267 13.849 1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.830 16.239 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.273 16.721 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.311 15.079 2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.889 15.263 3.381 1.00 0.00 H new ATOM 1260 N PRO A 78 10.811 13.242 1.011 1.00 0.00 N ATOM 1261 CA PRO A 78 9.436 12.753 0.871 1.00 0.00 C ATOM 1262 C PRO A 78 8.414 13.721 1.457 1.00 0.00 C ATOM 1263 O PRO A 78 8.769 14.646 2.188 1.00 0.00 O ATOM 1264 CB PRO A 78 9.450 11.445 1.662 1.00 0.00 C ATOM 1265 CG PRO A 78 10.501 11.645 2.699 1.00 0.00 C ATOM 1266 CD PRO A 78 11.548 12.525 2.069 1.00 0.00 C ATOM 0 HA PRO A 78 9.146 12.635 -0.173 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.479 11.245 2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.683 10.596 1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.084 12.113 3.591 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.929 10.692 3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.980 13.215 2.794 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.370 11.938 1.658 1.00 0.00 H new ATOM 1274 N ASN A 79 7.145 13.498 1.134 1.00 0.00 N ATOM 1275 CA ASN A 79 6.070 14.351 1.629 1.00 0.00 C ATOM 1276 C ASN A 79 5.833 14.114 3.118 1.00 0.00 C ATOM 1277 O ASN A 79 6.422 13.214 3.715 1.00 0.00 O ATOM 1278 CB ASN A 79 4.782 14.090 0.844 1.00 0.00 C ATOM 1279 CG ASN A 79 4.365 15.281 0.005 1.00 0.00 C ATOM 1280 OD1 ASN A 79 3.537 16.091 0.422 1.00 0.00 O ATOM 1281 ND2 ASN A 79 4.938 15.394 -1.188 1.00 0.00 N ATOM 0 H ASN A 79 6.835 12.735 0.532 1.00 0.00 H new ATOM 0 HA ASN A 79 6.367 15.390 1.488 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.924 13.225 0.196 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.980 13.840 1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.696 16.175 -1.798 1.00 0.00 H new ATOM 0 HD22 ASN A 79 5.620 14.700 -1.494 1.00 0.00 H new ATOM 1288 N GLU A 80 4.967 14.929 3.712 1.00 0.00 N ATOM 1289 CA GLU A 80 4.651 14.808 5.130 1.00 0.00 C ATOM 1290 C GLU A 80 4.084 13.428 5.449 1.00 0.00 C ATOM 1291 O GLU A 80 4.182 12.953 6.580 1.00 0.00 O ATOM 1292 CB GLU A 80 3.652 15.889 5.546 1.00 0.00 C ATOM 1293 CG GLU A 80 2.364 15.870 4.741 1.00 0.00 C ATOM 1294 CD GLU A 80 1.627 17.194 4.788 1.00 0.00 C ATOM 1295 OE1 GLU A 80 1.342 17.676 5.904 1.00 0.00 O ATOM 1296 OE2 GLU A 80 1.335 17.750 3.707 1.00 0.00 O ATOM 0 H GLU A 80 4.472 15.681 3.233 1.00 0.00 H new ATOM 0 HA GLU A 80 5.575 14.939 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.412 15.763 6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.122 16.867 5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.592 15.622 3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.714 15.083 5.122 1.00 0.00 H new ATOM 1303 N ALA A 81 3.493 12.787 4.445 1.00 0.00 N ATOM 1304 CA ALA A 81 2.911 11.460 4.619 1.00 0.00 C ATOM 1305 C ALA A 81 3.928 10.480 5.193 1.00 0.00 C ATOM 1306 O ALA A 81 3.654 9.790 6.175 1.00 0.00 O ATOM 1307 CB ALA A 81 2.370 10.944 3.293 1.00 0.00 C ATOM 0 H ALA A 81 3.404 13.165 3.502 1.00 0.00 H new ATOM 0 HA ALA A 81 2.089 11.544 5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.939 9.953 3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.602 11.624 2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.181 10.885 2.567 1.00 0.00 H new ATOM 1313 N TRP A 82 5.105 10.424 4.576 1.00 0.00 N ATOM 1314 CA TRP A 82 6.163 9.528 5.027 1.00 0.00 C ATOM 1315 C TRP A 82 6.540 9.815 6.477 1.00 0.00 C ATOM 1316 O TRP A 82 6.746 8.895 7.269 1.00 0.00 O ATOM 1317 CB TRP A 82 7.395 9.669 4.132 1.00 0.00 C ATOM 1318 CG TRP A 82 8.356 8.527 4.262 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.699 8.607 4.498 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.048 7.131 4.163 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.245 7.348 4.553 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.251 6.424 4.350 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.872 6.411 3.936 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.311 5.034 4.316 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.932 5.030 3.902 1.00 0.00 C ATOM 1326 CH2 TRP A 82 8.145 4.355 4.092 1.00 0.00 C ATOM 0 H TRP A 82 5.349 10.989 3.763 1.00 0.00 H new ATOM 0 HA TRP A 82 5.789 8.506 4.963 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.074 9.748 3.093 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.910 10.598 4.378 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.251 9.527 4.623 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.229 7.135 4.718 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.933 6.924 3.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.244 4.510 4.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.030 4.463 3.726 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.160 3.276 4.061 1.00 0.00 H new ATOM 1337 N GLU A 83 6.630 11.097 6.819 1.00 0.00 N ATOM 1338 CA GLU A 83 6.982 11.503 8.174 1.00 0.00 C ATOM 1339 C GLU A 83 5.971 10.969 9.184 1.00 0.00 C ATOM 1340 O GLU A 83 6.314 10.691 10.334 1.00 0.00 O ATOM 1341 CB GLU A 83 7.061 13.029 8.268 1.00 0.00 C ATOM 1342 CG GLU A 83 8.450 13.584 8.001 1.00 0.00 C ATOM 1343 CD GLU A 83 8.522 15.087 8.196 1.00 0.00 C ATOM 1344 OE1 GLU A 83 7.904 15.592 9.157 1.00 0.00 O ATOM 1345 OE2 GLU A 83 9.196 15.758 7.386 1.00 0.00 O ATOM 0 H GLU A 83 6.464 11.871 6.176 1.00 0.00 H new ATOM 0 HA GLU A 83 7.959 11.081 8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.361 13.465 7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.739 13.341 9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.165 13.100 8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.746 13.338 6.981 1.00 0.00 H new ATOM 1352 N VAL A 84 4.725 10.830 8.747 1.00 0.00 N ATOM 1353 CA VAL A 84 3.664 10.328 9.614 1.00 0.00 C ATOM 1354 C VAL A 84 3.652 8.806 9.641 1.00 0.00 C ATOM 1355 O VAL A 84 3.674 8.194 10.708 1.00 0.00 O ATOM 1356 CB VAL A 84 2.281 10.836 9.162 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.215 10.457 10.178 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.311 12.341 8.941 1.00 0.00 C ATOM 0 H VAL A 84 4.424 11.057 7.799 1.00 0.00 H new ATOM 0 HA VAL A 84 3.869 10.704 10.616 1.00 0.00 H new ATOM 0 HB VAL A 84 2.030 10.360 8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.245 10.824 9.842 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.177 9.372 10.279 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.457 10.903 11.143 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.326 12.682 8.622 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.584 12.840 9.871 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.045 12.581 8.171 1.00 0.00 H new ATOM 1368 N VAL A 85 3.618 8.197 8.459 1.00 0.00 N ATOM 1369 CA VAL A 85 3.605 6.744 8.348 1.00 0.00 C ATOM 1370 C VAL A 85 4.876 6.140 8.939 1.00 0.00 C ATOM 1371 O VAL A 85 4.817 5.206 9.738 1.00 0.00 O ATOM 1372 CB VAL A 85 3.471 6.293 6.880 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.282 4.785 6.799 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.319 7.020 6.203 1.00 0.00 C ATOM 0 H VAL A 85 3.599 8.688 7.565 1.00 0.00 H new ATOM 0 HA VAL A 85 2.740 6.390 8.908 1.00 0.00 H new ATOM 0 HB VAL A 85 4.391 6.548 6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.189 4.485 5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.143 4.286 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.379 4.502 7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.239 6.690 5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.390 6.798 6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.502 8.094 6.228 1.00 0.00 H new ATOM 1384 N ARG A 86 6.021 6.683 8.541 1.00 0.00 N ATOM 1385 CA ARG A 86 7.308 6.199 9.031 1.00 0.00 C ATOM 1386 C ARG A 86 7.513 6.562 10.502 1.00 0.00 C ATOM 1387 O ARG A 86 8.435 6.062 11.148 1.00 0.00 O ATOM 1388 CB ARG A 86 8.444 6.779 8.187 1.00 0.00 C ATOM 1389 CG ARG A 86 9.718 5.948 8.231 1.00 0.00 C ATOM 1390 CD ARG A 86 10.802 6.629 9.052 1.00 0.00 C ATOM 1391 NE ARG A 86 11.630 7.516 8.240 1.00 0.00 N ATOM 1392 CZ ARG A 86 12.628 7.096 7.464 1.00 0.00 C ATOM 1393 NH1 ARG A 86 12.921 5.804 7.389 1.00 0.00 N ATOM 1394 NH2 ARG A 86 13.333 7.971 6.760 1.00 0.00 N ATOM 0 H ARG A 86 6.085 7.458 7.881 1.00 0.00 H new ATOM 0 HA ARG A 86 7.314 5.112 8.946 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.111 6.864 7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.666 7.788 8.535 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.500 4.968 8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.080 5.781 7.216 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.341 7.201 9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.432 5.872 9.519 1.00 0.00 H new ATOM 0 HE ARG A 86 11.433 8.516 8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.381 5.126 7.927 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.686 5.488 6.793 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.111 8.965 6.813 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.097 7.650 6.166 1.00 0.00 H new ATOM 1408 N GLY A 87 6.657 7.436 11.025 1.00 0.00 N ATOM 1409 CA GLY A 87 6.773 7.845 12.413 1.00 0.00 C ATOM 1410 C GLY A 87 5.723 7.209 13.305 1.00 0.00 C ATOM 1411 O GLY A 87 5.864 7.197 14.528 1.00 0.00 O ATOM 0 H GLY A 87 5.887 7.867 10.513 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.764 7.582 12.783 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.687 8.930 12.475 1.00 0.00 H new ATOM 1415 N THR A 88 4.663 6.680 12.698 1.00 0.00 N ATOM 1416 CA THR A 88 3.587 6.044 13.452 1.00 0.00 C ATOM 1417 C THR A 88 4.127 4.918 14.332 1.00 0.00 C ATOM 1418 O THR A 88 5.096 4.249 13.973 1.00 0.00 O ATOM 1419 CB THR A 88 2.522 5.493 12.503 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.111 4.684 11.502 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.721 6.574 11.809 1.00 0.00 C ATOM 0 H THR A 88 4.527 6.679 11.687 1.00 0.00 H new ATOM 0 HA THR A 88 3.136 6.801 14.094 1.00 0.00 H new ATOM 0 HB THR A 88 1.848 4.912 13.133 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.539 5.255 10.830 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.984 6.115 11.151 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.212 7.185 12.554 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.390 7.202 11.221 1.00 0.00 H new ATOM 1429 N PRO A 89 3.503 4.693 15.500 1.00 0.00 N ATOM 1430 CA PRO A 89 3.923 3.639 16.430 1.00 0.00 C ATOM 1431 C PRO A 89 3.683 2.243 15.867 1.00 0.00 C ATOM 1432 O PRO A 89 2.541 1.804 15.738 1.00 0.00 O ATOM 1433 CB PRO A 89 3.049 3.877 17.663 1.00 0.00 C ATOM 1434 CG PRO A 89 1.851 4.594 17.148 1.00 0.00 C ATOM 1435 CD PRO A 89 2.337 5.442 16.006 1.00 0.00 C ATOM 0 HA PRO A 89 4.992 3.683 16.638 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.772 2.936 18.139 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.574 4.471 18.411 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.088 3.890 16.815 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.399 5.209 17.926 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.572 5.561 15.239 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.614 6.443 16.337 1.00 0.00 H new ATOM 1443 N GLY A 90 4.767 1.552 15.532 1.00 0.00 N ATOM 1444 CA GLY A 90 4.654 0.212 14.984 1.00 0.00 C ATOM 1445 C GLY A 90 5.201 0.108 13.572 1.00 0.00 C ATOM 1446 O GLY A 90 5.004 -0.905 12.899 1.00 0.00 O ATOM 0 H GLY A 90 5.722 1.895 15.630 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.189 -0.486 15.629 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.607 -0.090 14.987 1.00 0.00 H new ATOM 1450 N ILE A 91 5.885 1.154 13.118 1.00 0.00 N ATOM 1451 CA ILE A 91 6.459 1.170 11.777 1.00 0.00 C ATOM 1452 C ILE A 91 7.983 1.222 11.834 1.00 0.00 C ATOM 1453 O ILE A 91 8.558 1.910 12.678 1.00 0.00 O ATOM 1454 CB ILE A 91 5.937 2.370 10.962 1.00 0.00 C ATOM 1455 CG1 ILE A 91 6.430 2.289 9.514 1.00 0.00 C ATOM 1456 CG2 ILE A 91 6.367 3.684 11.606 1.00 0.00 C ATOM 1457 CD1 ILE A 91 5.312 2.165 8.502 1.00 0.00 C ATOM 0 H ILE A 91 6.055 2.002 13.659 1.00 0.00 H new ATOM 0 HA ILE A 91 6.152 0.247 11.284 1.00 0.00 H new ATOM 0 HB ILE A 91 4.848 2.335 10.956 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.017 3.179 9.288 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.097 1.433 9.413 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.989 4.519 11.016 1.00 0.00 H new ATOM 0 HG22 ILE A 91 5.965 3.742 12.617 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.455 3.731 11.645 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.734 2.113 7.498 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.739 1.260 8.702 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.657 3.033 8.575 1.00 0.00 H new ATOM 1567 N ARG A 100 14.826 4.090 0.015 1.00 0.00 N ATOM 1568 CA ARG A 100 13.489 4.670 -0.052 1.00 0.00 C ATOM 1569 C ARG A 100 12.434 3.584 -0.257 1.00 0.00 C ATOM 1570 O ARG A 100 12.752 2.471 -0.677 1.00 0.00 O ATOM 1571 CB ARG A 100 13.416 5.693 -1.189 1.00 0.00 C ATOM 1572 CG ARG A 100 13.920 5.160 -2.520 1.00 0.00 C ATOM 1573 CD ARG A 100 15.247 5.793 -2.909 1.00 0.00 C ATOM 1574 NE ARG A 100 15.776 5.235 -4.152 1.00 0.00 N ATOM 1575 CZ ARG A 100 17.047 5.348 -4.535 1.00 0.00 C ATOM 1576 NH1 ARG A 100 17.920 5.995 -3.773 1.00 0.00 N ATOM 1577 NH2 ARG A 100 17.444 4.811 -5.681 1.00 0.00 N ATOM 0 HA ARG A 100 13.286 5.171 0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.383 6.021 -1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.000 6.571 -0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.036 4.078 -2.459 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.180 5.358 -3.296 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.116 6.869 -3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 100 15.970 5.642 -2.107 1.00 0.00 H new ATOM 0 HE ARG A 100 15.134 4.729 -4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 100 17.619 6.408 -2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 100 18.892 6.079 -4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 100 16.776 4.312 -6.269 1.00 0.00 H new ATOM 0 HH22 ARG A 100 18.417 4.897 -5.975 1.00 0.00 H new ATOM 1591 N PRO A 101 11.157 3.894 0.038 1.00 0.00 N ATOM 1592 CA PRO A 101 10.053 2.942 -0.117 1.00 0.00 C ATOM 1593 C PRO A 101 10.141 2.150 -1.418 1.00 0.00 C ATOM 1594 O PRO A 101 10.525 2.686 -2.457 1.00 0.00 O ATOM 1595 CB PRO A 101 8.824 3.850 -0.119 1.00 0.00 C ATOM 1596 CG PRO A 101 9.211 4.991 0.758 1.00 0.00 C ATOM 1597 CD PRO A 101 10.688 5.202 0.543 1.00 0.00 C ATOM 0 HA PRO A 101 10.046 2.184 0.666 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.580 4.187 -1.126 1.00 0.00 H new ATOM 0 HB3 PRO A 101 7.946 3.332 0.266 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.648 5.888 0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.997 4.769 1.803 1.00 0.00 H new ATOM 0 HD2 PRO A 101 10.879 6.000 -0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.192 5.478 1.469 1.00 0.00 H new ATOM 1605 N VAL A 102 9.790 0.870 -1.350 1.00 0.00 N ATOM 1606 CA VAL A 102 9.836 0.001 -2.518 1.00 0.00 C ATOM 1607 C VAL A 102 8.449 -0.171 -3.137 1.00 0.00 C ATOM 1608 O VAL A 102 7.625 -0.932 -2.628 1.00 0.00 O ATOM 1609 CB VAL A 102 10.397 -1.388 -2.163 1.00 0.00 C ATOM 1610 CG1 VAL A 102 10.596 -2.223 -3.419 1.00 0.00 C ATOM 1611 CG2 VAL A 102 11.701 -1.257 -1.390 1.00 0.00 C ATOM 0 H VAL A 102 9.470 0.412 -0.497 1.00 0.00 H new ATOM 0 HA VAL A 102 10.497 0.482 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 102 9.674 -1.898 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 102 10.993 -3.201 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.640 -2.348 -3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.298 -1.719 -4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.082 -2.249 -1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.433 -0.726 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.524 -0.702 -0.469 1.00 0.00 H new ATOM 1621 N PRO A 103 8.169 0.532 -4.249 1.00 0.00 N ATOM 1622 CA PRO A 103 6.877 0.445 -4.930 1.00 0.00 C ATOM 1623 C PRO A 103 6.752 -0.822 -5.769 1.00 0.00 C ATOM 1624 O PRO A 103 7.747 -1.345 -6.271 1.00 0.00 O ATOM 1625 CB PRO A 103 6.875 1.683 -5.824 1.00 0.00 C ATOM 1626 CG PRO A 103 8.311 1.914 -6.141 1.00 0.00 C ATOM 1627 CD PRO A 103 9.089 1.465 -4.932 1.00 0.00 C ATOM 0 HA PRO A 103 6.042 0.404 -4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.290 1.519 -6.729 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.438 2.541 -5.313 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.609 1.352 -7.026 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.498 2.967 -6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.020 0.974 -5.215 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.354 2.306 -4.292 1.00 0.00 H new ATOM 1635 N LEU A 104 5.526 -1.312 -5.918 1.00 0.00 N ATOM 1636 CA LEU A 104 5.276 -2.520 -6.698 1.00 0.00 C ATOM 1637 C LEU A 104 5.007 -2.178 -8.160 1.00 0.00 C ATOM 1638 O LEU A 104 4.547 -1.081 -8.476 1.00 0.00 O ATOM 1639 CB LEU A 104 4.091 -3.294 -6.116 1.00 0.00 C ATOM 1640 CG LEU A 104 4.008 -3.306 -4.589 1.00 0.00 C ATOM 1641 CD1 LEU A 104 3.040 -2.241 -4.099 1.00 0.00 C ATOM 1642 CD2 LEU A 104 3.590 -4.680 -4.087 1.00 0.00 C ATOM 0 H LEU A 104 4.691 -0.892 -5.510 1.00 0.00 H new ATOM 0 HA LEU A 104 6.168 -3.145 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.169 -2.866 -6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.142 -4.324 -6.469 1.00 0.00 H new ATOM 0 HG LEU A 104 4.997 -3.081 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.994 -2.264 -3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.383 -1.259 -4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.048 -2.434 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.536 -4.669 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.612 -4.935 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.321 -5.422 -4.407 1.00 0.00 H new ATOM 1654 N SER A 105 5.292 -3.126 -9.045 1.00 0.00 N ATOM 1655 CA SER A 105 5.079 -2.926 -10.474 1.00 0.00 C ATOM 1656 C SER A 105 3.615 -3.154 -10.841 1.00 0.00 C ATOM 1657 O SER A 105 2.868 -3.783 -10.092 1.00 0.00 O ATOM 1658 CB SER A 105 5.971 -3.871 -11.281 1.00 0.00 C ATOM 1659 OG SER A 105 6.144 -5.108 -10.611 1.00 0.00 O ATOM 0 H SER A 105 5.671 -4.040 -8.799 1.00 0.00 H new ATOM 0 HA SER A 105 5.341 -1.896 -10.715 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.528 -4.044 -12.262 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.942 -3.405 -11.447 1.00 0.00 H new ATOM 0 HG SER A 105 6.717 -5.694 -11.149 1.00 0.00 H new ATOM 1665 N PRO A 106 3.182 -2.644 -12.007 1.00 0.00 N ATOM 1666 CA PRO A 106 1.800 -2.795 -12.473 1.00 0.00 C ATOM 1667 C PRO A 106 1.387 -4.257 -12.596 1.00 0.00 C ATOM 1668 O PRO A 106 0.207 -4.590 -12.488 1.00 0.00 O ATOM 1669 CB PRO A 106 1.798 -2.118 -13.851 1.00 0.00 C ATOM 1670 CG PRO A 106 3.234 -2.020 -14.243 1.00 0.00 C ATOM 1671 CD PRO A 106 4.003 -1.883 -12.962 1.00 0.00 C ATOM 0 HA PRO A 106 1.090 -2.355 -11.773 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.231 -2.703 -14.576 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.335 -1.132 -13.804 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.549 -2.906 -14.795 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.403 -1.162 -14.894 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.009 -2.294 -13.048 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.109 -0.840 -12.663 1.00 0.00 H new ATOM 1679 N ASP A 107 2.365 -5.128 -12.824 1.00 0.00 N ATOM 1680 CA ASP A 107 2.100 -6.556 -12.958 1.00 0.00 C ATOM 1681 C ASP A 107 1.812 -7.186 -11.600 1.00 0.00 C ATOM 1682 O ASP A 107 1.039 -8.138 -11.497 1.00 0.00 O ATOM 1683 CB ASP A 107 3.289 -7.257 -13.618 1.00 0.00 C ATOM 1684 CG ASP A 107 3.151 -7.335 -15.125 1.00 0.00 C ATOM 1685 OD1 ASP A 107 2.670 -6.353 -15.729 1.00 0.00 O ATOM 1686 OD2 ASP A 107 3.523 -8.379 -15.702 1.00 0.00 O ATOM 0 H ASP A 107 3.347 -4.870 -12.920 1.00 0.00 H new ATOM 0 HA ASP A 107 1.219 -6.679 -13.589 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.206 -6.724 -13.367 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.384 -8.264 -13.212 1.00 0.00 H new ATOM 1691 N GLU A 108 2.439 -6.647 -10.560 1.00 0.00 N ATOM 1692 CA GLU A 108 2.250 -7.152 -9.205 1.00 0.00 C ATOM 1693 C GLU A 108 1.063 -6.470 -8.533 1.00 0.00 C ATOM 1694 O GLU A 108 0.336 -7.089 -7.758 1.00 0.00 O ATOM 1695 CB GLU A 108 3.517 -6.931 -8.376 1.00 0.00 C ATOM 1696 CG GLU A 108 3.756 -8.009 -7.332 1.00 0.00 C ATOM 1697 CD GLU A 108 4.895 -7.664 -6.391 1.00 0.00 C ATOM 1698 OE1 GLU A 108 5.875 -7.042 -6.848 1.00 0.00 O ATOM 1699 OE2 GLU A 108 4.804 -8.018 -5.196 1.00 0.00 O ATOM 0 H GLU A 108 3.083 -5.859 -10.630 1.00 0.00 H new ATOM 0 HA GLU A 108 2.046 -8.221 -9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.376 -6.888 -9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.452 -5.963 -7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.844 -8.159 -6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.975 -8.952 -7.832 1.00 0.00 H new ATOM 1706 N VAL A 109 0.873 -5.191 -8.840 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.224 -4.420 -8.270 1.00 0.00 C ATOM 1708 C VAL A 109 -1.573 -5.052 -8.602 1.00 0.00 C ATOM 1709 O VAL A 109 -2.414 -5.240 -7.725 1.00 0.00 O ATOM 1710 CB VAL A 109 -0.207 -2.965 -8.781 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.346 -2.164 -8.166 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.136 -2.310 -8.486 1.00 0.00 C ATOM 0 H VAL A 109 1.467 -4.666 -9.482 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.086 -4.420 -7.189 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.349 -2.980 -9.862 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.315 -1.141 -8.540 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.299 -2.620 -8.436 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.241 -2.157 -7.081 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.129 -1.284 -8.854 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.312 -2.309 -7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.930 -2.868 -8.983 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.773 -5.374 -9.874 1.00 0.00 N ATOM 1723 CA ARG A 110 -3.022 -5.982 -10.319 1.00 0.00 C ATOM 1724 C ARG A 110 -3.227 -7.350 -9.675 1.00 0.00 C ATOM 1725 O ARG A 110 -4.358 -7.817 -9.535 1.00 0.00 O ATOM 1726 CB ARG A 110 -3.036 -6.113 -11.845 1.00 0.00 C ATOM 1727 CG ARG A 110 -3.836 -5.022 -12.540 1.00 0.00 C ATOM 1728 CD ARG A 110 -2.928 -4.015 -13.226 1.00 0.00 C ATOM 1729 NE ARG A 110 -3.544 -2.692 -13.307 1.00 0.00 N ATOM 1730 CZ ARG A 110 -3.631 -1.849 -12.281 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -3.145 -2.189 -11.092 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -4.206 -0.666 -12.441 1.00 0.00 N ATOM 0 H ARG A 110 -1.088 -5.225 -10.615 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.841 -5.333 -10.010 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.010 -6.091 -12.213 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -3.451 -7.084 -12.115 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.503 -5.471 -13.275 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.464 -4.510 -11.811 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.987 -3.944 -12.681 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.689 -4.366 -14.230 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.930 -2.397 -14.204 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.703 -3.099 -10.963 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.214 -1.540 -10.308 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -4.582 -0.401 -13.351 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.272 -0.021 -11.654 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.130 -7.989 -9.284 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.197 -9.303 -8.656 1.00 0.00 C ATOM 1748 C HIS A 111 -2.540 -9.183 -7.176 1.00 0.00 C ATOM 1749 O HIS A 111 -3.297 -9.990 -6.639 1.00 0.00 O ATOM 1750 CB HIS A 111 -0.870 -10.045 -8.829 1.00 0.00 C ATOM 1751 CG HIS A 111 -0.908 -11.094 -9.896 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -0.387 -12.360 -9.728 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -1.408 -11.060 -11.154 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -0.564 -13.059 -10.835 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -1.182 -12.293 -11.715 1.00 0.00 N ATOM 0 H HIS A 111 -1.185 -7.619 -9.391 1.00 0.00 H new ATOM 0 HA HIS A 111 -2.987 -9.871 -9.147 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.088 -9.324 -9.067 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -0.597 -10.511 -7.882 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.894 -10.220 -11.628 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -0.256 -14.082 -10.993 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.449 -12.572 -12.659 1.00 0.00 H new ATOM 1764 N ILE A 112 -1.980 -8.171 -6.519 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.236 -7.957 -5.103 1.00 0.00 C ATOM 1766 C ILE A 112 -3.597 -7.302 -4.882 1.00 0.00 C ATOM 1767 O ILE A 112 -4.216 -7.476 -3.833 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.134 -7.098 -4.444 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.241 -5.634 -4.879 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.242 -7.653 -4.781 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -0.183 -4.741 -4.267 1.00 0.00 C ATOM 0 H ILE A 112 -1.350 -7.491 -6.944 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.233 -8.940 -4.632 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.274 -7.139 -3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -1.166 -5.580 -5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.226 -5.254 -4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.008 -7.037 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.322 -8.676 -4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.383 -7.644 -5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.321 -3.719 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.271 -4.765 -3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.806 -5.095 -4.559 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.060 -6.552 -5.878 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.351 -5.880 -5.789 1.00 0.00 C ATOM 1785 C LEU A 113 -6.484 -6.839 -6.138 1.00 0.00 C ATOM 1786 O LEU A 113 -7.613 -6.672 -5.676 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.391 -4.667 -6.722 1.00 0.00 C ATOM 1788 CG LEU A 113 -4.431 -3.532 -6.357 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.388 -2.493 -7.467 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -4.839 -2.889 -5.040 1.00 0.00 C ATOM 0 H LEU A 113 -3.561 -6.395 -6.754 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.484 -5.540 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.166 -5.000 -7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.407 -4.272 -6.735 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.432 -3.952 -6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.701 -1.693 -7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.048 -2.961 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.385 -2.079 -7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.145 -2.085 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.847 -2.484 -5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.818 -3.637 -4.248 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.177 -7.845 -6.954 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.174 -8.828 -7.360 1.00 0.00 C ATOM 1804 C GLU A 114 -7.549 -9.733 -6.189 1.00 0.00 C ATOM 1805 O GLU A 114 -8.675 -10.227 -6.111 1.00 0.00 O ATOM 1806 CB GLU A 114 -6.646 -9.672 -8.522 1.00 0.00 C ATOM 1807 CG GLU A 114 -7.639 -10.708 -9.021 1.00 0.00 C ATOM 1808 CD GLU A 114 -6.967 -11.851 -9.759 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -6.620 -11.667 -10.946 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -6.789 -12.927 -9.152 1.00 0.00 O ATOM 0 H GLU A 114 -5.248 -7.999 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.066 -8.293 -7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.377 -9.012 -9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.733 -10.178 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.199 -11.106 -8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.359 -10.227 -9.682 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.599 -9.948 -5.285 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.830 -10.794 -4.121 1.00 0.00 C ATOM 1819 C VAL A 115 -7.529 -10.018 -3.009 1.00 0.00 C ATOM 1820 O VAL A 115 -8.391 -10.555 -2.312 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.509 -11.371 -3.576 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -5.781 -12.373 -2.462 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.705 -12.016 -4.697 1.00 0.00 C ATOM 0 H VAL A 115 -5.662 -9.548 -5.337 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.470 -11.614 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.921 -10.552 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.836 -12.769 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.312 -11.878 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.390 -13.190 -2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.776 -12.418 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.286 -12.823 -5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.477 -11.269 -5.458 1.00 0.00 H new ATOM 1833 N SER A 116 -7.152 -8.754 -2.848 1.00 0.00 N ATOM 1834 CA SER A 116 -7.742 -7.904 -1.819 1.00 0.00 C ATOM 1835 C SER A 116 -9.251 -7.781 -2.013 1.00 0.00 C ATOM 1836 O SER A 116 -10.031 -8.197 -1.156 1.00 0.00 O ATOM 1837 CB SER A 116 -7.093 -6.518 -1.841 1.00 0.00 C ATOM 1838 OG SER A 116 -6.566 -6.183 -0.568 1.00 0.00 O ATOM 0 H SER A 116 -6.440 -8.295 -3.417 1.00 0.00 H new ATOM 0 HA SER A 116 -7.558 -8.366 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.297 -6.497 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.829 -5.773 -2.141 1.00 0.00 H new ATOM 0 HG SER A 116 -5.587 -6.189 -0.608 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.654 -7.208 -3.142 1.00 0.00 N ATOM 1845 CA GLY A 117 -11.068 -7.043 -3.425 1.00 0.00 C ATOM 1846 C GLY A 117 -11.344 -5.870 -4.346 1.00 0.00 C ATOM 1847 O GLY A 117 -12.248 -5.073 -4.094 1.00 0.00 O ATOM 0 H GLY A 117 -9.028 -6.855 -3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.453 -7.956 -3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.608 -6.901 -2.489 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.565 -5.765 -5.418 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.731 -4.681 -6.380 1.00 0.00 C ATOM 1853 C LEU A 118 -10.845 -5.229 -7.799 1.00 0.00 C ATOM 1854 O LEU A 118 -11.800 -4.932 -8.516 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.559 -3.703 -6.292 1.00 0.00 C ATOM 1856 CG LEU A 118 -9.085 -3.384 -4.873 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.933 -2.391 -4.905 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -10.235 -2.841 -4.037 1.00 0.00 C ATOM 0 H LEU A 118 -9.813 -6.417 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.652 -4.152 -6.136 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.721 -4.113 -6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.846 -2.772 -6.781 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.730 -4.306 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.609 -2.176 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.102 -2.816 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.261 -1.468 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.880 -2.619 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.619 -1.930 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -11.030 -3.585 -3.986 1.00 0.00 H new ATOM 1870 N LEU A 119 -9.863 -6.030 -8.198 1.00 0.00 N ATOM 1871 CA LEU A 119 -9.851 -6.620 -9.532 1.00 0.00 C ATOM 1872 C LEU A 119 -10.601 -7.948 -9.545 1.00 0.00 C ATOM 1873 O LEU A 119 -11.208 -8.321 -10.550 1.00 0.00 O ATOM 1874 CB LEU A 119 -8.413 -6.828 -10.008 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.188 -6.608 -11.505 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -7.877 -5.147 -11.788 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -7.068 -7.503 -12.011 1.00 0.00 C ATOM 0 H LEU A 119 -9.065 -6.286 -7.617 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.354 -5.932 -10.211 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.762 -6.151 -9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.106 -7.843 -9.755 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.103 -6.871 -12.035 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.720 -5.009 -12.858 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.712 -4.527 -11.461 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.976 -4.856 -11.248 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.921 -7.334 -13.078 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.147 -7.271 -11.476 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.332 -8.547 -11.842 1.00 0.00 H new ATOM 1889 N GLY A 120 -10.556 -8.658 -8.423 1.00 0.00 N ATOM 1890 CA GLY A 120 -11.234 -9.937 -8.326 1.00 0.00 C ATOM 1891 C GLY A 120 -11.596 -10.295 -6.898 1.00 0.00 C ATOM 1892 O GLY A 120 -11.433 -11.476 -6.523 1.00 0.00 O ATOM 1893 OXT GLY A 120 -12.041 -9.397 -6.154 1.00 0.00 O ATOM 0 H GLY A 120 -10.062 -8.370 -7.578 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.140 -9.911 -8.932 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -10.595 -10.716 -8.742 1.00 0.00 H new