USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 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: C 13 ASN : amide:sc= -0.26 K(o=-0.27,f=-0.92!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= -0.0121 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.106 USER MOD Set 2.2: C 21 THR OG1 : rot -69:sc= 0.102 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.81 K(o=-0.81,f=-3.3!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.0638 USER MOD Set 4.2: A 21 THR OG1 : rot -70:sc= 0.0645 USER MOD Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.278) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= 1.14 (180deg=0.751) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.13) USER MOD Single : A 29 GLN : amide:sc= -0.989 K(o=-0.99,f=-1.6) USER MOD Single : A 35 ASN : amide:sc= -0.206 K(o=-0.21,f=-2.9!) USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.0338 (180deg=-0.305) USER MOD Single : A 43 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-1.7) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ 140:sc= 0.0186 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 165:sc= 1.24 (180deg=0.813) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.23) USER MOD Single : C 29 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.4) USER MOD Single : C 35 ASN : amide:sc= -0.149 K(o=-0.15,f=-2.6!) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HE2:sc= -1.16 X(o=-1.2,f=-1.5) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.000 10.328 -2.152 1.00 0.00 N ATOM 2 CA MET A 1 6.527 10.360 -2.087 1.00 0.00 C ATOM 3 C MET A 1 5.926 10.121 -3.466 1.00 0.00 C ATOM 4 O MET A 1 5.946 11.015 -4.306 1.00 0.00 O ATOM 5 CB MET A 1 6.041 11.700 -1.526 1.00 0.00 C ATOM 6 CG MET A 1 4.511 11.783 -1.511 1.00 0.00 C ATOM 7 SD MET A 1 3.703 10.533 -0.485 1.00 0.00 S ATOM 8 CE MET A 1 1.996 11.001 -0.856 1.00 0.00 C ATOM 0 H1 MET A 1 8.393 10.493 -1.203 1.00 0.00 H new ATOM 0 H2 MET A 1 8.312 9.399 -2.500 1.00 0.00 H new ATOM 0 H3 MET A 1 8.335 11.070 -2.799 1.00 0.00 H new ATOM 0 HA MET A 1 6.199 9.563 -1.420 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.423 11.831 -0.514 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.444 12.515 -2.127 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.217 12.771 -1.157 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.144 11.688 -2.533 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.322 10.497 -0.164 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.883 12.080 -0.751 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.752 10.709 -1.877 1.00 0.00 H new ATOM 20 N LEU A 2 5.388 8.924 -3.709 1.00 0.00 N ATOM 21 CA LEU A 2 4.771 8.619 -4.992 1.00 0.00 C ATOM 22 C LEU A 2 3.257 8.718 -4.891 1.00 0.00 C ATOM 23 O LEU A 2 2.682 8.508 -3.827 1.00 0.00 O ATOM 24 CB LEU A 2 5.141 7.197 -5.420 1.00 0.00 C ATOM 25 CG LEU A 2 6.295 7.166 -6.416 1.00 0.00 C ATOM 26 CD1 LEU A 2 6.652 5.723 -6.738 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.911 7.859 -7.724 1.00 0.00 C ATOM 0 H LEU A 2 5.369 8.158 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 2 5.134 9.338 -5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.411 6.615 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.269 6.717 -5.865 1.00 0.00 H new ATOM 0 HG LEU A 2 7.140 7.685 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.477 5.702 -7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.949 5.209 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.786 5.222 -7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.752 7.822 -8.416 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.054 7.351 -8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.652 8.898 -7.523 1.00 0.00 H new ATOM 39 N ILE A 3 2.626 9.037 -6.024 1.00 0.00 N ATOM 40 CA ILE A 3 1.180 9.018 -6.165 1.00 0.00 C ATOM 41 C ILE A 3 0.856 8.382 -7.507 1.00 0.00 C ATOM 42 O ILE A 3 1.461 8.722 -8.521 1.00 0.00 O ATOM 43 CB ILE A 3 0.597 10.437 -6.098 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.790 11.067 -4.717 1.00 0.00 C ATOM 45 CG2 ILE A 3 -0.909 10.383 -6.355 1.00 0.00 C ATOM 46 CD1 ILE A 3 2.133 11.778 -4.598 1.00 0.00 C ATOM 0 H ILE A 3 3.116 9.318 -6.874 1.00 0.00 H new ATOM 0 HA ILE A 3 0.737 8.447 -5.349 1.00 0.00 H new ATOM 0 HB ILE A 3 1.118 11.032 -6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.015 11.777 -4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.720 10.293 -3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.323 11.390 -6.307 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.095 9.961 -7.343 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.385 9.759 -5.598 1.00 0.00 H new ATOM 0 HD11 ILE A 3 2.229 12.211 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.939 11.063 -4.762 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.193 12.570 -5.345 1.00 0.00 H new ATOM 58 N LEU A 4 -0.097 7.452 -7.511 1.00 0.00 N ATOM 59 CA LEU A 4 -0.501 6.752 -8.717 1.00 0.00 C ATOM 60 C LEU A 4 -1.878 6.125 -8.508 1.00 0.00 C ATOM 61 O LEU A 4 -2.350 6.027 -7.376 1.00 0.00 O ATOM 62 CB LEU A 4 0.586 5.749 -9.141 1.00 0.00 C ATOM 63 CG LEU A 4 1.318 5.021 -8.003 1.00 0.00 C ATOM 64 CD1 LEU A 4 0.473 3.910 -7.392 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.587 4.383 -8.563 1.00 0.00 C ATOM 0 H LEU A 4 -0.608 7.166 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.601 7.449 -9.549 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.128 5.001 -9.788 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.326 6.279 -9.741 1.00 0.00 H new ATOM 0 HG LEU A 4 1.537 5.758 -7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.033 3.425 -6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.446 4.333 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.227 3.176 -8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.116 3.863 -7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.322 3.672 -9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.231 5.158 -8.980 1.00 0.00 H new ATOM 77 N THR A 5 -2.525 5.702 -9.598 1.00 0.00 N ATOM 78 CA THR A 5 -3.914 5.268 -9.541 1.00 0.00 C ATOM 79 C THR A 5 -4.079 3.869 -10.119 1.00 0.00 C ATOM 80 O THR A 5 -3.374 3.479 -11.049 1.00 0.00 O ATOM 81 CB THR A 5 -4.814 6.269 -10.281 1.00 0.00 C ATOM 82 OG1 THR A 5 -4.360 7.587 -10.066 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.257 6.192 -9.788 1.00 0.00 C ATOM 0 H THR A 5 -2.106 5.653 -10.526 1.00 0.00 H new ATOM 0 HA THR A 5 -4.216 5.232 -8.494 1.00 0.00 H new ATOM 0 HB THR A 5 -4.773 6.012 -11.339 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.941 8.215 -10.544 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.866 6.913 -10.332 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.646 5.188 -9.956 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.290 6.420 -8.723 1.00 0.00 H new ATOM 91 N ARG A 6 -5.030 3.131 -9.546 1.00 0.00 N ATOM 92 CA ARG A 6 -5.359 1.753 -9.883 1.00 0.00 C ATOM 93 C ARG A 6 -6.871 1.605 -9.830 1.00 0.00 C ATOM 94 O ARG A 6 -7.551 2.538 -9.416 1.00 0.00 O ATOM 95 CB ARG A 6 -4.761 0.825 -8.818 1.00 0.00 C ATOM 96 CG ARG A 6 -3.235 0.745 -8.873 1.00 0.00 C ATOM 97 CD ARG A 6 -2.785 -0.527 -9.595 1.00 0.00 C ATOM 98 NE ARG A 6 -3.293 -0.579 -10.964 1.00 0.00 N ATOM 99 CZ ARG A 6 -2.642 -1.132 -11.990 1.00 0.00 C ATOM 100 NH1 ARG A 6 -1.468 -1.733 -11.809 1.00 0.00 N ATOM 101 NH2 ARG A 6 -3.168 -1.086 -13.210 1.00 0.00 N ATOM 0 H ARG A 6 -5.618 3.499 -8.798 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.970 1.502 -10.870 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.064 1.174 -7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.175 -0.175 -8.944 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.838 1.620 -9.387 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.829 0.758 -7.862 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.696 -0.572 -9.609 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.133 -1.401 -9.044 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.207 -0.165 -11.148 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.055 -1.775 -10.877 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.982 -2.151 -12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.067 -0.629 -13.361 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.672 -1.508 -13.995 1.00 0.00 H new ATOM 115 N LYS A 7 -7.407 0.454 -10.231 1.00 0.00 N ATOM 116 CA LYS A 7 -8.806 0.150 -9.972 1.00 0.00 C ATOM 117 C LYS A 7 -8.927 -1.225 -9.336 1.00 0.00 C ATOM 118 O LYS A 7 -7.951 -1.970 -9.260 1.00 0.00 O ATOM 119 CB LYS A 7 -9.706 0.268 -11.198 1.00 0.00 C ATOM 120 CG LYS A 7 -9.285 -0.636 -12.350 1.00 0.00 C ATOM 121 CD LYS A 7 -10.524 -0.863 -13.219 1.00 0.00 C ATOM 122 CE LYS A 7 -10.198 -1.641 -14.487 1.00 0.00 C ATOM 123 NZ LYS A 7 -9.460 -2.886 -14.201 1.00 0.00 N ATOM 0 H LYS A 7 -6.897 -0.274 -10.731 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.165 0.911 -9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.730 0.026 -10.912 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.707 1.303 -11.540 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.487 -0.174 -12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.899 -1.584 -11.975 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.275 -1.405 -12.644 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.960 0.099 -13.486 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.123 -1.881 -15.012 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.606 -1.014 -15.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.509 -3.516 -15.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.466 -2.661 -13.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.885 -3.360 -13.379 1.00 0.00 H new ATOM 137 N VAL A 8 -10.133 -1.563 -8.880 1.00 0.00 N ATOM 138 CA VAL A 8 -10.339 -2.798 -8.139 1.00 0.00 C ATOM 139 C VAL A 8 -9.882 -4.018 -8.934 1.00 0.00 C ATOM 140 O VAL A 8 -10.193 -4.151 -10.116 1.00 0.00 O ATOM 141 CB VAL A 8 -11.788 -2.905 -7.657 1.00 0.00 C ATOM 142 CG1 VAL A 8 -12.167 -1.617 -6.920 1.00 0.00 C ATOM 143 CG2 VAL A 8 -12.806 -3.115 -8.773 1.00 0.00 C ATOM 0 H VAL A 8 -10.974 -1.001 -9.011 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.710 -2.773 -7.249 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.824 -3.784 -7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.198 -1.686 -6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.505 -1.479 -6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.067 -0.768 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.806 -3.180 -8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.762 -2.276 -9.468 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.578 -4.039 -9.305 1.00 0.00 H new ATOM 153 N GLY A 9 -9.138 -4.898 -8.260 1.00 0.00 N ATOM 154 CA GLY A 9 -8.626 -6.121 -8.859 1.00 0.00 C ATOM 155 C GLY A 9 -7.198 -5.971 -9.384 1.00 0.00 C ATOM 156 O GLY A 9 -6.652 -6.920 -9.944 1.00 0.00 O ATOM 0 H GLY A 9 -8.876 -4.777 -7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.654 -6.922 -8.120 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.280 -6.420 -9.678 1.00 0.00 H new ATOM 160 N GLU A 10 -6.583 -4.791 -9.215 1.00 0.00 N ATOM 161 CA GLU A 10 -5.231 -4.534 -9.694 1.00 0.00 C ATOM 162 C GLU A 10 -4.222 -4.499 -8.540 1.00 0.00 C ATOM 163 O GLU A 10 -4.601 -4.671 -7.382 1.00 0.00 O ATOM 164 CB GLU A 10 -5.218 -3.234 -10.503 1.00 0.00 C ATOM 165 CG GLU A 10 -6.201 -3.338 -11.673 1.00 0.00 C ATOM 166 CD GLU A 10 -6.254 -2.069 -12.520 1.00 0.00 C ATOM 167 OE1 GLU A 10 -5.795 -1.012 -12.032 1.00 0.00 O ATOM 168 OE2 GLU A 10 -6.759 -2.172 -13.660 1.00 0.00 O ATOM 0 H GLU A 10 -7.013 -3.995 -8.743 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.924 -5.353 -10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.489 -2.394 -9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.213 -3.038 -10.877 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.917 -4.179 -12.305 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.197 -3.552 -11.286 1.00 0.00 H new ATOM 175 N SER A 11 -2.936 -4.281 -8.849 1.00 0.00 N ATOM 176 CA SER A 11 -1.866 -4.417 -7.864 1.00 0.00 C ATOM 177 C SER A 11 -0.735 -3.402 -8.050 1.00 0.00 C ATOM 178 O SER A 11 -0.649 -2.712 -9.066 1.00 0.00 O ATOM 179 CB SER A 11 -1.290 -5.833 -7.947 1.00 0.00 C ATOM 180 OG SER A 11 -2.277 -6.801 -7.648 1.00 0.00 O ATOM 0 H SER A 11 -2.616 -4.009 -9.778 1.00 0.00 H new ATOM 0 HA SER A 11 -2.306 -4.223 -6.886 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.893 -6.010 -8.947 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.457 -5.932 -7.251 1.00 0.00 H new ATOM 0 HG SER A 11 -1.885 -7.697 -7.709 1.00 0.00 H new ATOM 186 N ILE A 12 0.135 -3.332 -7.035 1.00 0.00 N ATOM 187 CA ILE A 12 1.270 -2.419 -6.907 1.00 0.00 C ATOM 188 C ILE A 12 2.394 -3.185 -6.192 1.00 0.00 C ATOM 189 O ILE A 12 2.123 -4.231 -5.598 1.00 0.00 O ATOM 190 CB ILE A 12 0.838 -1.180 -6.089 1.00 0.00 C ATOM 191 CG1 ILE A 12 -0.298 -0.394 -6.763 1.00 0.00 C ATOM 192 CG2 ILE A 12 2.003 -0.221 -5.807 1.00 0.00 C ATOM 193 CD1 ILE A 12 0.123 0.288 -8.064 1.00 0.00 C ATOM 0 H ILE A 12 0.057 -3.954 -6.230 1.00 0.00 H new ATOM 0 HA ILE A 12 1.618 -2.074 -7.881 1.00 0.00 H new ATOM 0 HB ILE A 12 0.477 -1.584 -5.143 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.126 -1.072 -6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.669 0.361 -6.069 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.642 0.630 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.775 -0.742 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.421 0.131 -6.750 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.727 0.824 -8.485 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.931 0.991 -7.861 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.466 -0.464 -8.775 1.00 0.00 H new ATOM 205 N ASN A 13 3.640 -2.703 -6.230 1.00 0.00 N ATOM 206 CA ASN A 13 4.755 -3.404 -5.593 1.00 0.00 C ATOM 207 C ASN A 13 5.660 -2.452 -4.808 1.00 0.00 C ATOM 208 O ASN A 13 5.748 -1.264 -5.121 1.00 0.00 O ATOM 209 CB ASN A 13 5.587 -4.149 -6.641 1.00 0.00 C ATOM 210 CG ASN A 13 6.080 -5.474 -6.089 1.00 0.00 C ATOM 211 OD1 ASN A 13 7.070 -5.522 -5.362 1.00 0.00 O ATOM 212 ND2 ASN A 13 5.394 -6.555 -6.439 1.00 0.00 N ATOM 0 H ASN A 13 3.900 -1.833 -6.694 1.00 0.00 H new ATOM 0 HA ASN A 13 4.323 -4.116 -4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.986 -4.322 -7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.436 -3.536 -6.942 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.683 -7.473 -6.102 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.578 -6.467 -7.045 1.00 0.00 H new ATOM 219 N ILE A 14 6.334 -2.991 -3.785 1.00 0.00 N ATOM 220 CA ILE A 14 7.278 -2.253 -2.957 1.00 0.00 C ATOM 221 C ILE A 14 8.465 -3.165 -2.641 1.00 0.00 C ATOM 222 O ILE A 14 8.300 -4.369 -2.442 1.00 0.00 O ATOM 223 CB ILE A 14 6.611 -1.780 -1.656 1.00 0.00 C ATOM 224 CG1 ILE A 14 5.323 -0.998 -1.964 1.00 0.00 C ATOM 225 CG2 ILE A 14 7.591 -0.905 -0.863 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.616 -0.524 -0.693 1.00 0.00 C ATOM 0 H ILE A 14 6.233 -3.968 -3.510 1.00 0.00 H new ATOM 0 HA ILE A 14 7.619 -1.369 -3.496 1.00 0.00 H new ATOM 0 HB ILE A 14 6.345 -2.651 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.563 -0.136 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.646 -1.629 -2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.116 -0.571 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.483 -1.484 -0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.871 -0.038 -1.462 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.712 0.023 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.350 -1.386 -0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.281 0.129 -0.129 1.00 0.00 H new ATOM 238 N GLY A 15 9.668 -2.588 -2.600 1.00 0.00 N ATOM 239 CA GLY A 15 10.884 -3.351 -2.389 1.00 0.00 C ATOM 240 C GLY A 15 10.988 -4.446 -3.446 1.00 0.00 C ATOM 241 O GLY A 15 10.688 -4.218 -4.618 1.00 0.00 O ATOM 0 H GLY A 15 9.818 -1.585 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.752 -2.694 -2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.881 -3.792 -1.392 1.00 0.00 H new ATOM 245 N ASP A 16 11.413 -5.633 -3.021 1.00 0.00 N ATOM 246 CA ASP A 16 11.483 -6.805 -3.877 1.00 0.00 C ATOM 247 C ASP A 16 10.811 -7.985 -3.171 1.00 0.00 C ATOM 248 O ASP A 16 10.920 -9.123 -3.628 1.00 0.00 O ATOM 249 CB ASP A 16 12.944 -7.112 -4.213 1.00 0.00 C ATOM 250 CG ASP A 16 13.606 -5.958 -4.961 1.00 0.00 C ATOM 251 OD1 ASP A 16 13.421 -5.887 -6.198 1.00 0.00 O ATOM 252 OD2 ASP A 16 14.295 -5.156 -4.293 1.00 0.00 O ATOM 0 H ASP A 16 11.720 -5.806 -2.064 1.00 0.00 H new ATOM 0 HA ASP A 16 10.956 -6.619 -4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.494 -7.313 -3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.996 -8.016 -4.820 1.00 0.00 H new ATOM 257 N ASP A 17 10.117 -7.719 -2.059 1.00 0.00 N ATOM 258 CA ASP A 17 9.498 -8.750 -1.238 1.00 0.00 C ATOM 259 C ASP A 17 8.137 -8.310 -0.692 1.00 0.00 C ATOM 260 O ASP A 17 7.590 -8.989 0.180 1.00 0.00 O ATOM 261 CB ASP A 17 10.434 -9.114 -0.079 1.00 0.00 C ATOM 262 CG ASP A 17 11.790 -9.612 -0.572 1.00 0.00 C ATOM 263 OD1 ASP A 17 11.864 -10.805 -0.944 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.737 -8.797 -0.570 1.00 0.00 O ATOM 0 H ASP A 17 9.972 -6.773 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 17 9.329 -9.622 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.578 -8.241 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.967 -9.884 0.536 1.00 0.00 H new ATOM 269 N ILE A 18 7.574 -7.196 -1.177 1.00 0.00 N ATOM 270 CA ILE A 18 6.269 -6.736 -0.717 1.00 0.00 C ATOM 271 C ILE A 18 5.379 -6.436 -1.915 1.00 0.00 C ATOM 272 O ILE A 18 5.835 -5.905 -2.922 1.00 0.00 O ATOM 273 CB ILE A 18 6.400 -5.491 0.171 1.00 0.00 C ATOM 274 CG1 ILE A 18 7.308 -5.721 1.382 1.00 0.00 C ATOM 275 CG2 ILE A 18 5.014 -5.068 0.665 1.00 0.00 C ATOM 276 CD1 ILE A 18 8.741 -5.296 1.059 1.00 0.00 C ATOM 0 H ILE A 18 8.005 -6.602 -1.886 1.00 0.00 H new ATOM 0 HA ILE A 18 5.817 -7.527 -0.119 1.00 0.00 H new ATOM 0 HB ILE A 18 6.853 -4.710 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.937 -5.154 2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.289 -6.773 1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.107 -4.184 1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.377 -4.839 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.570 -5.880 1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.376 -5.465 1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.114 -5.882 0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.757 -4.238 0.799 1.00 0.00 H new ATOM 288 N THR A 19 4.096 -6.781 -1.804 1.00 0.00 N ATOM 289 CA THR A 19 3.128 -6.550 -2.863 1.00 0.00 C ATOM 290 C THR A 19 1.845 -6.010 -2.245 1.00 0.00 C ATOM 291 O THR A 19 1.568 -6.258 -1.071 1.00 0.00 O ATOM 292 CB THR A 19 2.887 -7.859 -3.626 1.00 0.00 C ATOM 293 OG1 THR A 19 4.114 -8.392 -4.076 1.00 0.00 O ATOM 294 CG2 THR A 19 1.991 -7.644 -4.844 1.00 0.00 C ATOM 0 H THR A 19 3.704 -7.228 -0.975 1.00 0.00 H new ATOM 0 HA THR A 19 3.501 -5.814 -3.576 1.00 0.00 H new ATOM 0 HB THR A 19 2.397 -8.546 -2.936 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.950 -9.228 -4.560 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.843 -8.593 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.026 -7.252 -4.521 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.463 -6.933 -5.522 1.00 0.00 H new ATOM 302 N ILE A 20 1.063 -5.273 -3.037 1.00 0.00 N ATOM 303 CA ILE A 20 -0.169 -4.644 -2.587 1.00 0.00 C ATOM 304 C ILE A 20 -1.248 -4.909 -3.630 1.00 0.00 C ATOM 305 O ILE A 20 -0.953 -4.972 -4.821 1.00 0.00 O ATOM 306 CB ILE A 20 0.050 -3.132 -2.432 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.196 -2.794 -1.466 1.00 0.00 C ATOM 308 CG2 ILE A 20 -1.239 -2.438 -1.976 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.885 -3.157 -0.016 1.00 0.00 C ATOM 0 H ILE A 20 1.275 -5.098 -4.019 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.473 -5.052 -1.623 1.00 0.00 H new ATOM 0 HB ILE A 20 0.333 -2.760 -3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.096 -3.322 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.413 -1.728 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.059 -1.368 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.023 -2.605 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.552 -2.847 -1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.734 -2.893 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.003 -2.609 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.696 -4.228 0.059 1.00 0.00 H new ATOM 321 N THR A 21 -2.496 -5.060 -3.182 1.00 0.00 N ATOM 322 CA THR A 21 -3.616 -5.323 -4.070 1.00 0.00 C ATOM 323 C THR A 21 -4.845 -4.577 -3.566 1.00 0.00 C ATOM 324 O THR A 21 -5.035 -4.428 -2.361 1.00 0.00 O ATOM 325 CB THR A 21 -3.888 -6.830 -4.117 1.00 0.00 C ATOM 326 OG1 THR A 21 -2.727 -7.525 -4.519 1.00 0.00 O ATOM 327 CG2 THR A 21 -5.001 -7.173 -5.103 1.00 0.00 C ATOM 0 H THR A 21 -2.752 -5.003 -2.196 1.00 0.00 H new ATOM 0 HA THR A 21 -3.380 -4.977 -5.076 1.00 0.00 H new ATOM 0 HB THR A 21 -4.190 -7.127 -3.113 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.546 -7.340 -5.464 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.164 -8.251 -5.107 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.920 -6.668 -4.804 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.715 -6.845 -6.103 1.00 0.00 H new ATOM 335 N ILE A 22 -5.684 -4.110 -4.492 1.00 0.00 N ATOM 336 CA ILE A 22 -6.916 -3.407 -4.173 1.00 0.00 C ATOM 337 C ILE A 22 -8.079 -4.381 -4.376 1.00 0.00 C ATOM 338 O ILE A 22 -8.512 -4.614 -5.503 1.00 0.00 O ATOM 339 CB ILE A 22 -7.015 -2.124 -5.023 1.00 0.00 C ATOM 340 CG1 ILE A 22 -8.421 -1.518 -5.029 1.00 0.00 C ATOM 341 CG2 ILE A 22 -6.597 -2.355 -6.474 1.00 0.00 C ATOM 342 CD1 ILE A 22 -8.918 -1.239 -3.620 1.00 0.00 C ATOM 0 H ILE A 22 -5.521 -4.213 -5.494 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.943 -3.076 -3.135 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.326 -1.427 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.416 -0.592 -5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.109 -2.199 -5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.684 -1.422 -7.031 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.564 -2.700 -6.504 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.244 -3.108 -6.924 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.919 -0.810 -3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.948 -2.170 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.244 -0.537 -3.129 1.00 0.00 H new ATOM 354 N LEU A 23 -8.590 -4.957 -3.284 1.00 0.00 N ATOM 355 CA LEU A 23 -9.621 -5.986 -3.373 1.00 0.00 C ATOM 356 C LEU A 23 -10.948 -5.408 -3.864 1.00 0.00 C ATOM 357 O LEU A 23 -11.722 -6.120 -4.503 1.00 0.00 O ATOM 358 CB LEU A 23 -9.837 -6.661 -2.014 1.00 0.00 C ATOM 359 CG LEU A 23 -8.579 -7.218 -1.343 1.00 0.00 C ATOM 360 CD1 LEU A 23 -9.007 -8.204 -0.259 1.00 0.00 C ATOM 361 CD2 LEU A 23 -7.657 -7.959 -2.302 1.00 0.00 C ATOM 0 H LEU A 23 -8.305 -4.727 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.273 -6.726 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.297 -5.939 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.549 -7.476 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.028 -6.365 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.123 -8.612 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.625 -7.690 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.579 -9.015 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.786 -8.326 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.191 -8.801 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.333 -7.281 -3.092 1.00 0.00 H new ATOM 373 N GLY A 24 -11.224 -4.132 -3.575 1.00 0.00 N ATOM 374 CA GLY A 24 -12.434 -3.481 -4.063 1.00 0.00 C ATOM 375 C GLY A 24 -12.823 -2.264 -3.227 1.00 0.00 C ATOM 376 O GLY A 24 -12.092 -1.868 -2.319 1.00 0.00 O ATOM 0 H GLY A 24 -10.624 -3.534 -3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.285 -3.174 -5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.255 -4.198 -4.059 1.00 0.00 H new ATOM 380 N VAL A 25 -13.977 -1.662 -3.532 1.00 0.00 N ATOM 381 CA VAL A 25 -14.459 -0.487 -2.811 1.00 0.00 C ATOM 382 C VAL A 25 -15.958 -0.578 -2.557 1.00 0.00 C ATOM 383 O VAL A 25 -16.660 -1.372 -3.183 1.00 0.00 O ATOM 384 CB VAL A 25 -14.155 0.804 -3.586 1.00 0.00 C ATOM 385 CG1 VAL A 25 -12.747 0.790 -4.176 1.00 0.00 C ATOM 386 CG2 VAL A 25 -15.170 1.056 -4.701 1.00 0.00 C ATOM 0 H VAL A 25 -14.596 -1.975 -4.280 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.935 -0.460 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.227 1.615 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.570 1.720 -4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.017 0.692 -3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.648 -0.052 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.916 1.979 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.151 0.224 -5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.168 1.145 -4.271 1.00 0.00 H new ATOM 396 N SER A 26 -16.444 0.251 -1.632 1.00 0.00 N ATOM 397 CA SER A 26 -17.864 0.420 -1.365 1.00 0.00 C ATOM 398 C SER A 26 -18.069 1.809 -0.778 1.00 0.00 C ATOM 399 O SER A 26 -17.579 2.089 0.314 1.00 0.00 O ATOM 400 CB SER A 26 -18.346 -0.653 -0.389 1.00 0.00 C ATOM 401 OG SER A 26 -19.735 -0.503 -0.178 1.00 0.00 O ATOM 0 H SER A 26 -15.849 0.831 -1.041 1.00 0.00 H new ATOM 0 HA SER A 26 -18.440 0.317 -2.285 1.00 0.00 H new ATOM 0 HB2 SER A 26 -18.132 -1.645 -0.787 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.812 -0.567 0.557 1.00 0.00 H new ATOM 0 HG SER A 26 -20.047 -1.191 0.446 1.00 0.00 H new ATOM 407 N GLY A 27 -18.786 2.687 -1.487 1.00 0.00 N ATOM 408 CA GLY A 27 -18.989 4.054 -1.032 1.00 0.00 C ATOM 409 C GLY A 27 -17.662 4.804 -1.003 1.00 0.00 C ATOM 410 O GLY A 27 -17.170 5.226 -2.051 1.00 0.00 O ATOM 0 H GLY A 27 -19.233 2.469 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.689 4.565 -1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.435 4.051 -0.037 1.00 0.00 H new ATOM 414 N GLN A 28 -17.087 4.973 0.193 1.00 0.00 N ATOM 415 CA GLN A 28 -15.778 5.592 0.344 1.00 0.00 C ATOM 416 C GLN A 28 -14.774 4.593 0.899 1.00 0.00 C ATOM 417 O GLN A 28 -13.572 4.849 0.850 1.00 0.00 O ATOM 418 CB GLN A 28 -15.829 6.788 1.300 1.00 0.00 C ATOM 419 CG GLN A 28 -16.778 7.894 0.853 1.00 0.00 C ATOM 420 CD GLN A 28 -16.566 8.289 -0.605 1.00 0.00 C ATOM 421 OE1 GLN A 28 -17.499 8.257 -1.402 1.00 0.00 O ATOM 422 NE2 GLN A 28 -15.345 8.664 -0.969 1.00 0.00 N ATOM 0 H GLN A 28 -17.516 4.685 1.072 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.473 5.929 -0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.132 6.439 2.287 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.826 7.202 1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.807 7.563 0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.637 8.769 1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.591 8.680 -0.283 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.162 8.936 -1.935 1.00 0.00 H new ATOM 431 N GLN A 29 -15.251 3.461 1.420 1.00 0.00 N ATOM 432 CA GLN A 29 -14.352 2.447 1.936 1.00 0.00 C ATOM 433 C GLN A 29 -13.640 1.783 0.768 1.00 0.00 C ATOM 434 O GLN A 29 -14.182 1.668 -0.330 1.00 0.00 O ATOM 435 CB GLN A 29 -15.093 1.398 2.778 1.00 0.00 C ATOM 436 CG GLN A 29 -15.568 1.927 4.129 1.00 0.00 C ATOM 437 CD GLN A 29 -16.536 3.079 3.976 1.00 0.00 C ATOM 438 OE1 GLN A 29 -17.561 2.970 3.310 1.00 0.00 O ATOM 439 NE2 GLN A 29 -16.209 4.201 4.597 1.00 0.00 N ATOM 0 H GLN A 29 -16.242 3.232 1.492 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.628 2.927 2.594 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.953 1.034 2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.435 0.544 2.942 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.047 1.122 4.686 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.708 2.251 4.715 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.348 4.250 5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.818 5.016 4.532 1.00 0.00 H new ATOM 448 N VAL A 30 -12.409 1.350 1.017 1.00 0.00 N ATOM 449 CA VAL A 30 -11.536 0.732 0.042 1.00 0.00 C ATOM 450 C VAL A 30 -10.868 -0.444 0.737 1.00 0.00 C ATOM 451 O VAL A 30 -10.044 -0.247 1.629 1.00 0.00 O ATOM 452 CB VAL A 30 -10.506 1.766 -0.426 1.00 0.00 C ATOM 453 CG1 VAL A 30 -9.550 1.159 -1.451 1.00 0.00 C ATOM 454 CG2 VAL A 30 -11.187 2.968 -1.076 1.00 0.00 C ATOM 0 H VAL A 30 -11.982 1.425 1.940 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.077 0.382 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.956 2.085 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.829 1.913 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.022 0.318 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.116 0.813 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.431 3.684 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.764 2.636 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.853 3.443 -0.355 1.00 0.00 H new ATOM 464 N ARG A 31 -11.226 -1.665 0.332 1.00 0.00 N ATOM 465 CA ARG A 31 -10.669 -2.870 0.928 1.00 0.00 C ATOM 466 C ARG A 31 -9.375 -3.213 0.207 1.00 0.00 C ATOM 467 O ARG A 31 -9.359 -3.321 -1.018 1.00 0.00 O ATOM 468 CB ARG A 31 -11.682 -4.010 0.836 1.00 0.00 C ATOM 469 CG ARG A 31 -11.274 -5.126 1.797 1.00 0.00 C ATOM 470 CD ARG A 31 -12.318 -6.240 1.789 1.00 0.00 C ATOM 471 NE ARG A 31 -12.194 -7.069 2.993 1.00 0.00 N ATOM 472 CZ ARG A 31 -12.024 -8.394 3.009 1.00 0.00 C ATOM 473 NH1 ARG A 31 -11.954 -9.104 1.888 1.00 0.00 N ATOM 474 NH2 ARG A 31 -11.922 -9.034 4.168 1.00 0.00 N ATOM 0 H ARG A 31 -11.903 -1.840 -0.411 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.451 -2.709 1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.679 -3.647 1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.727 -4.391 -0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.302 -5.527 1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.167 -4.726 2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.318 -5.809 1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.192 -6.858 0.900 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.242 -6.594 3.894 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.031 -8.638 0.984 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.824 -10.115 1.932 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.974 -8.514 5.044 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.792 -10.046 4.182 1.00 0.00 H new ATOM 488 N ILE A 32 -8.299 -3.384 0.974 1.00 0.00 N ATOM 489 CA ILE A 32 -6.958 -3.512 0.422 1.00 0.00 C ATOM 490 C ILE A 32 -6.288 -4.752 0.996 1.00 0.00 C ATOM 491 O ILE A 32 -6.640 -5.200 2.086 1.00 0.00 O ATOM 492 CB ILE A 32 -6.138 -2.254 0.756 1.00 0.00 C ATOM 493 CG1 ILE A 32 -7.011 -0.993 0.695 1.00 0.00 C ATOM 494 CG2 ILE A 32 -4.947 -2.144 -0.201 1.00 0.00 C ATOM 495 CD1 ILE A 32 -6.202 0.296 0.827 1.00 0.00 C ATOM 0 H ILE A 32 -8.336 -3.437 1.992 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.016 -3.613 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.763 -2.341 1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.556 -0.979 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.754 -1.033 1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.369 -1.252 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.314 -3.025 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.309 -2.077 -1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.873 1.153 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.678 0.301 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.477 0.355 0.016 1.00 0.00 H new ATOM 507 N GLY A 33 -5.318 -5.296 0.260 1.00 0.00 N ATOM 508 CA GLY A 33 -4.564 -6.454 0.689 1.00 0.00 C ATOM 509 C GLY A 33 -3.074 -6.164 0.588 1.00 0.00 C ATOM 510 O GLY A 33 -2.646 -5.322 -0.201 1.00 0.00 O ATOM 0 H GLY A 33 -5.039 -4.937 -0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.825 -6.710 1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.819 -7.315 0.071 1.00 0.00 H new ATOM 514 N ILE A 34 -2.287 -6.865 1.399 1.00 0.00 N ATOM 515 CA ILE A 34 -0.854 -6.653 1.518 1.00 0.00 C ATOM 516 C ILE A 34 -0.181 -8.008 1.646 1.00 0.00 C ATOM 517 O ILE A 34 -0.715 -8.912 2.284 1.00 0.00 O ATOM 518 CB ILE A 34 -0.567 -5.802 2.766 1.00 0.00 C ATOM 519 CG1 ILE A 34 -1.358 -4.486 2.724 1.00 0.00 C ATOM 520 CG2 ILE A 34 0.937 -5.524 2.870 1.00 0.00 C ATOM 521 CD1 ILE A 34 -1.231 -3.719 4.035 1.00 0.00 C ATOM 0 H ILE A 34 -2.637 -7.610 2.002 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.471 -6.131 0.641 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.887 -6.356 3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.996 -3.868 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.409 -4.697 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.135 -4.921 3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.477 -6.468 2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.270 -4.986 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.802 -2.793 3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.617 -4.329 4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.182 -3.486 4.220 1.00 0.00 H new ATOM 533 N ASN A 35 0.995 -8.152 1.042 1.00 0.00 N ATOM 534 CA ASN A 35 1.690 -9.422 1.028 1.00 0.00 C ATOM 535 C ASN A 35 3.182 -9.194 1.239 1.00 0.00 C ATOM 536 O ASN A 35 3.878 -8.736 0.337 1.00 0.00 O ATOM 537 CB ASN A 35 1.380 -10.109 -0.302 1.00 0.00 C ATOM 538 CG ASN A 35 1.816 -11.567 -0.319 1.00 0.00 C ATOM 539 OD1 ASN A 35 2.792 -11.949 0.321 1.00 0.00 O ATOM 540 ND2 ASN A 35 1.086 -12.398 -1.057 1.00 0.00 N ATOM 0 H ASN A 35 1.482 -7.399 0.556 1.00 0.00 H new ATOM 0 HA ASN A 35 1.357 -10.070 1.839 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.309 -10.051 -0.497 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.880 -9.574 -1.109 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.331 -13.387 -1.104 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.281 -12.046 -1.576 1.00 0.00 H new ATOM 547 N ALA A 36 3.658 -9.522 2.441 1.00 0.00 N ATOM 548 CA ALA A 36 5.053 -9.378 2.817 1.00 0.00 C ATOM 549 C ALA A 36 5.429 -10.465 3.816 1.00 0.00 C ATOM 550 O ALA A 36 4.558 -11.011 4.494 1.00 0.00 O ATOM 551 CB ALA A 36 5.265 -8.009 3.460 1.00 0.00 C ATOM 0 H ALA A 36 3.072 -9.900 3.186 1.00 0.00 H new ATOM 0 HA ALA A 36 5.678 -9.469 1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.312 -7.898 3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.997 -7.228 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.638 -7.923 4.347 1.00 0.00 H new ATOM 557 N PRO A 37 6.726 -10.781 3.913 1.00 0.00 N ATOM 558 CA PRO A 37 7.246 -11.701 4.902 1.00 0.00 C ATOM 559 C PRO A 37 7.057 -11.149 6.310 1.00 0.00 C ATOM 560 O PRO A 37 6.897 -9.946 6.501 1.00 0.00 O ATOM 561 CB PRO A 37 8.730 -11.845 4.572 1.00 0.00 C ATOM 562 CG PRO A 37 9.076 -10.573 3.803 1.00 0.00 C ATOM 563 CD PRO A 37 7.782 -10.262 3.067 1.00 0.00 C ATOM 0 HA PRO A 37 6.728 -12.660 4.876 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.331 -11.937 5.477 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.919 -12.735 3.972 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.366 -9.762 4.472 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.906 -10.730 3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.668 -9.190 2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.766 -10.733 2.084 1.00 0.00 H new ATOM 571 N LYS A 38 7.075 -12.031 7.314 1.00 0.00 N ATOM 572 CA LYS A 38 7.058 -11.608 8.712 1.00 0.00 C ATOM 573 C LYS A 38 8.394 -10.970 9.082 1.00 0.00 C ATOM 574 O LYS A 38 8.599 -10.533 10.212 1.00 0.00 O ATOM 575 CB LYS A 38 6.708 -12.795 9.615 1.00 0.00 C ATOM 576 CG LYS A 38 5.289 -13.282 9.318 1.00 0.00 C ATOM 577 CD LYS A 38 4.240 -12.261 9.765 1.00 0.00 C ATOM 578 CE LYS A 38 3.930 -12.366 11.260 1.00 0.00 C ATOM 579 NZ LYS A 38 3.224 -13.626 11.568 1.00 0.00 N ATOM 0 H LYS A 38 7.101 -13.042 7.181 1.00 0.00 H new ATOM 0 HA LYS A 38 6.287 -10.851 8.859 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.420 -13.605 9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.788 -12.502 10.662 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.184 -13.469 8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.115 -14.230 9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.595 -11.255 9.539 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.323 -12.411 9.194 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.857 -12.316 11.831 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.319 -11.518 11.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.733 -13.535 12.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.530 -13.827 10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.911 -14.405 11.621 1.00 0.00 H new ATOM 593 N ASP A 39 9.296 -10.928 8.100 1.00 0.00 N ATOM 594 CA ASP A 39 10.578 -10.246 8.178 1.00 0.00 C ATOM 595 C ASP A 39 10.380 -8.731 8.273 1.00 0.00 C ATOM 596 O ASP A 39 11.325 -7.996 8.558 1.00 0.00 O ATOM 597 CB ASP A 39 11.368 -10.575 6.913 1.00 0.00 C ATOM 598 CG ASP A 39 12.851 -10.261 7.085 1.00 0.00 C ATOM 599 OD1 ASP A 39 13.460 -10.823 8.022 1.00 0.00 O ATOM 600 OD2 ASP A 39 13.371 -9.460 6.275 1.00 0.00 O ATOM 0 H ASP A 39 9.144 -11.385 7.201 1.00 0.00 H new ATOM 0 HA ASP A 39 11.114 -10.577 9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.244 -11.630 6.669 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.969 -10.005 6.074 1.00 0.00 H new ATOM 605 N VAL A 40 9.147 -8.271 8.037 1.00 0.00 N ATOM 606 CA VAL A 40 8.789 -6.860 8.058 1.00 0.00 C ATOM 607 C VAL A 40 7.442 -6.690 8.754 1.00 0.00 C ATOM 608 O VAL A 40 6.739 -7.672 9.002 1.00 0.00 O ATOM 609 CB VAL A 40 8.738 -6.291 6.632 1.00 0.00 C ATOM 610 CG1 VAL A 40 10.044 -6.576 5.889 1.00 0.00 C ATOM 611 CG2 VAL A 40 7.591 -6.874 5.815 1.00 0.00 C ATOM 0 H VAL A 40 8.360 -8.884 7.823 1.00 0.00 H new ATOM 0 HA VAL A 40 9.549 -6.307 8.610 1.00 0.00 H new ATOM 0 HB VAL A 40 8.584 -5.217 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.987 -6.165 4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.875 -6.114 6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.203 -7.653 5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.599 -6.440 4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.709 -7.955 5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.644 -6.645 6.303 1.00 0.00 H new ATOM 621 N ALA A 41 7.075 -5.445 9.067 1.00 0.00 N ATOM 622 CA ALA A 41 5.845 -5.168 9.790 1.00 0.00 C ATOM 623 C ALA A 41 4.814 -4.503 8.886 1.00 0.00 C ATOM 624 O ALA A 41 5.158 -3.915 7.863 1.00 0.00 O ATOM 625 CB ALA A 41 6.170 -4.278 10.988 1.00 0.00 C ATOM 0 H ALA A 41 7.618 -4.615 8.828 1.00 0.00 H new ATOM 0 HA ALA A 41 5.412 -6.106 10.137 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.255 -4.062 11.540 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.876 -4.791 11.642 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.612 -3.345 10.639 1.00 0.00 H new ATOM 631 N VAL A 42 3.539 -4.598 9.264 1.00 0.00 N ATOM 632 CA VAL A 42 2.455 -3.923 8.561 1.00 0.00 C ATOM 633 C VAL A 42 1.257 -3.768 9.491 1.00 0.00 C ATOM 634 O VAL A 42 0.818 -4.737 10.106 1.00 0.00 O ATOM 635 CB VAL A 42 2.087 -4.690 7.283 1.00 0.00 C ATOM 636 CG1 VAL A 42 2.137 -6.206 7.482 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.695 -4.308 6.785 1.00 0.00 C ATOM 0 H VAL A 42 3.232 -5.146 10.067 1.00 0.00 H new ATOM 0 HA VAL A 42 2.781 -2.927 8.260 1.00 0.00 H new ATOM 0 HB VAL A 42 2.833 -4.408 6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.869 -6.704 6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.145 -6.502 7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.433 -6.494 8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.466 -4.869 5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.043 -4.541 7.553 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.667 -3.240 6.567 1.00 0.00 H new ATOM 647 N HIS A 43 0.724 -2.544 9.591 1.00 0.00 N ATOM 648 CA HIS A 43 -0.442 -2.253 10.416 1.00 0.00 C ATOM 649 C HIS A 43 -1.155 -1.014 9.892 1.00 0.00 C ATOM 650 O HIS A 43 -0.642 -0.324 9.012 1.00 0.00 O ATOM 651 CB HIS A 43 -0.030 -1.981 11.874 1.00 0.00 C ATOM 652 CG HIS A 43 1.072 -2.847 12.426 1.00 0.00 C ATOM 653 ND1 HIS A 43 0.888 -3.987 13.212 1.00 0.00 N ATOM 654 CD2 HIS A 43 2.408 -2.636 12.245 1.00 0.00 C ATOM 655 CE1 HIS A 43 2.125 -4.431 13.489 1.00 0.00 C ATOM 656 NE2 HIS A 43 3.052 -3.645 12.922 1.00 0.00 N ATOM 0 H HIS A 43 1.094 -1.730 9.099 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.100 -3.121 10.375 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.280 -0.939 11.954 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.909 -2.101 12.507 1.00 0.00 H new ATOM 0 HD1 HIS A 43 0.003 -4.395 13.512 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.868 -1.837 11.683 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.344 -5.303 14.087 1.00 0.00 H new ATOM 664 N ARG A 44 -2.338 -0.721 10.433 1.00 0.00 N ATOM 665 CA ARG A 44 -3.057 0.493 10.095 1.00 0.00 C ATOM 666 C ARG A 44 -2.306 1.676 10.690 1.00 0.00 C ATOM 667 O ARG A 44 -1.533 1.500 11.632 1.00 0.00 O ATOM 668 CB ARG A 44 -4.488 0.423 10.640 1.00 0.00 C ATOM 669 CG ARG A 44 -5.242 -0.762 10.032 1.00 0.00 C ATOM 670 CD ARG A 44 -6.686 -0.811 10.535 1.00 0.00 C ATOM 671 NE ARG A 44 -6.731 -1.007 11.991 1.00 0.00 N ATOM 672 CZ ARG A 44 -7.284 -0.156 12.863 1.00 0.00 C ATOM 673 NH1 ARG A 44 -7.848 0.977 12.455 1.00 0.00 N ATOM 674 NH2 ARG A 44 -7.271 -0.443 14.160 1.00 0.00 N ATOM 0 H ARG A 44 -2.815 -1.316 11.110 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.118 0.609 9.013 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.465 0.327 11.726 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.014 1.350 10.413 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.235 -0.683 8.945 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.733 -1.691 10.288 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.197 0.115 10.273 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.220 -1.621 10.039 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.308 -1.857 12.365 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.864 1.210 11.462 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.264 1.613 13.135 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.841 -1.308 14.487 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.691 0.202 14.829 1.00 0.00 H new ATOM 688 N GLU A 45 -2.522 2.877 10.156 1.00 0.00 N ATOM 689 CA GLU A 45 -1.822 4.052 10.651 1.00 0.00 C ATOM 690 C GLU A 45 -2.157 4.306 12.121 1.00 0.00 C ATOM 691 O GLU A 45 -1.421 5.007 12.812 1.00 0.00 O ATOM 692 CB GLU A 45 -2.154 5.237 9.736 1.00 0.00 C ATOM 693 CG GLU A 45 -1.420 6.528 10.120 1.00 0.00 C ATOM 694 CD GLU A 45 -2.168 7.376 11.153 1.00 0.00 C ATOM 695 OE1 GLU A 45 -3.303 7.007 11.526 1.00 0.00 O ATOM 696 OE2 GLU A 45 -1.587 8.406 11.568 1.00 0.00 O ATOM 0 H GLU A 45 -3.170 3.057 9.389 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.743 3.898 10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.900 4.975 8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.229 5.417 9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.437 6.273 10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.258 7.124 9.222 1.00 0.00 H new ATOM 703 N GLU A 46 -3.266 3.737 12.602 1.00 0.00 N ATOM 704 CA GLU A 46 -3.670 3.838 13.994 1.00 0.00 C ATOM 705 C GLU A 46 -2.725 3.030 14.884 1.00 0.00 C ATOM 706 O GLU A 46 -2.257 3.522 15.909 1.00 0.00 O ATOM 707 CB GLU A 46 -5.088 3.270 14.111 1.00 0.00 C ATOM 708 CG GLU A 46 -5.678 3.463 15.507 1.00 0.00 C ATOM 709 CD GLU A 46 -5.891 4.940 15.839 1.00 0.00 C ATOM 710 OE1 GLU A 46 -6.629 5.603 15.077 1.00 0.00 O ATOM 711 OE2 GLU A 46 -5.313 5.398 16.849 1.00 0.00 O ATOM 0 H GLU A 46 -3.908 3.191 12.027 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.638 4.879 14.316 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.732 3.754 13.377 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.072 2.207 13.870 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.629 2.935 15.575 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.013 3.017 16.247 1.00 0.00 H new ATOM 718 N ILE A 47 -2.447 1.785 14.493 1.00 0.00 N ATOM 719 CA ILE A 47 -1.680 0.866 15.318 1.00 0.00 C ATOM 720 C ILE A 47 -0.188 1.170 15.227 1.00 0.00 C ATOM 721 O ILE A 47 0.570 0.871 16.146 1.00 0.00 O ATOM 722 CB ILE A 47 -1.945 -0.568 14.849 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.441 -0.871 14.670 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.329 -1.567 15.830 1.00 0.00 C ATOM 725 CD1 ILE A 47 -4.279 -0.483 15.886 1.00 0.00 C ATOM 0 H ILE A 47 -2.747 1.393 13.601 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.989 0.983 16.357 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.476 -0.669 13.870 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.812 -0.337 13.795 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.569 -1.935 14.472 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.524 -2.583 15.486 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.253 -1.404 15.888 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.770 -1.427 16.817 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.326 -0.722 15.698 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.932 -1.036 16.759 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.178 0.586 16.071 1.00 0.00 H new ATOM 737 N TYR A 48 0.237 1.774 14.116 1.00 0.00 N ATOM 738 CA TYR A 48 1.630 2.102 13.886 1.00 0.00 C ATOM 739 C TYR A 48 2.152 3.091 14.928 1.00 0.00 C ATOM 740 O TYR A 48 3.342 3.117 15.229 1.00 0.00 O ATOM 741 CB TYR A 48 1.747 2.678 12.475 1.00 0.00 C ATOM 742 CG TYR A 48 3.154 3.020 12.047 1.00 0.00 C ATOM 743 CD1 TYR A 48 4.036 2.012 11.624 1.00 0.00 C ATOM 744 CD2 TYR A 48 3.579 4.357 12.073 1.00 0.00 C ATOM 745 CE1 TYR A 48 5.329 2.344 11.199 1.00 0.00 C ATOM 746 CE2 TYR A 48 4.864 4.694 11.637 1.00 0.00 C ATOM 747 CZ TYR A 48 5.744 3.688 11.190 1.00 0.00 C ATOM 748 OH TYR A 48 6.992 4.021 10.751 1.00 0.00 O ATOM 0 H TYR A 48 -0.383 2.047 13.353 1.00 0.00 H new ATOM 0 HA TYR A 48 2.241 1.204 13.979 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.332 1.959 11.768 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.134 3.577 12.413 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.717 0.980 11.626 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.912 5.128 12.431 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.008 1.568 10.878 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.182 5.726 11.643 1.00 0.00 H new ATOM 0 HH TYR A 48 7.112 4.992 10.812 1.00 0.00 H new ATOM 1211 N MET C 1 0.369 -12.437 4.550 1.00 0.00 N ATOM 1212 CA MET C 1 -0.767 -11.804 3.847 1.00 0.00 C ATOM 1213 C MET C 1 -1.662 -11.081 4.845 1.00 0.00 C ATOM 1214 O MET C 1 -1.937 -11.617 5.911 1.00 0.00 O ATOM 1215 CB MET C 1 -1.573 -12.857 3.080 1.00 0.00 C ATOM 1216 CG MET C 1 -2.695 -12.219 2.262 1.00 0.00 C ATOM 1217 SD MET C 1 -2.117 -11.172 0.905 1.00 0.00 S ATOM 1218 CE MET C 1 -3.702 -10.413 0.492 1.00 0.00 C ATOM 0 H1 MET C 1 0.555 -13.373 4.137 1.00 0.00 H new ATOM 0 H2 MET C 1 1.215 -11.840 4.450 1.00 0.00 H new ATOM 0 H3 MET C 1 0.137 -12.544 5.558 1.00 0.00 H new ATOM 0 HA MET C 1 -0.376 -11.078 3.134 1.00 0.00 H new ATOM 0 HB2 MET C 1 -0.909 -13.413 2.418 1.00 0.00 H new ATOM 0 HB3 MET C 1 -1.997 -13.575 3.782 1.00 0.00 H new ATOM 0 HG2 MET C 1 -3.326 -13.008 1.854 1.00 0.00 H new ATOM 0 HG3 MET C 1 -3.320 -11.622 2.926 1.00 0.00 H new ATOM 0 HE1 MET C 1 -3.568 -9.718 -0.337 1.00 0.00 H new ATOM 0 HE2 MET C 1 -4.413 -11.188 0.205 1.00 0.00 H new ATOM 0 HE3 MET C 1 -4.084 -9.874 1.359 1.00 0.00 H new ATOM 1230 N LEU C 2 -2.124 -9.873 4.507 1.00 0.00 N ATOM 1231 CA LEU C 2 -3.055 -9.125 5.336 1.00 0.00 C ATOM 1232 C LEU C 2 -4.110 -8.463 4.460 1.00 0.00 C ATOM 1233 O LEU C 2 -3.846 -8.131 3.308 1.00 0.00 O ATOM 1234 CB LEU C 2 -2.301 -8.045 6.117 1.00 0.00 C ATOM 1235 CG LEU C 2 -2.120 -8.384 7.595 1.00 0.00 C ATOM 1236 CD1 LEU C 2 -1.350 -7.253 8.267 1.00 0.00 C ATOM 1237 CD2 LEU C 2 -3.455 -8.542 8.322 1.00 0.00 C ATOM 0 H LEU C 2 -1.858 -9.391 3.648 1.00 0.00 H new ATOM 0 HA LEU C 2 -3.537 -9.811 6.033 1.00 0.00 H new ATOM 0 HB2 LEU C 2 -1.321 -7.895 5.663 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -2.840 -7.101 6.031 1.00 0.00 H new ATOM 0 HG LEU C 2 -1.584 -9.331 7.651 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -1.214 -7.483 9.324 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -0.375 -7.143 7.791 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -1.909 -6.323 8.167 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -3.273 -8.783 9.369 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -4.018 -7.611 8.256 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -4.028 -9.346 7.860 1.00 0.00 H new ATOM 1249 N ILE C 3 -5.302 -8.276 5.024 1.00 0.00 N ATOM 1250 CA ILE C 3 -6.408 -7.596 4.370 1.00 0.00 C ATOM 1251 C ILE C 3 -7.072 -6.705 5.413 1.00 0.00 C ATOM 1252 O ILE C 3 -7.316 -7.141 6.537 1.00 0.00 O ATOM 1253 CB ILE C 3 -7.419 -8.602 3.799 1.00 0.00 C ATOM 1254 CG1 ILE C 3 -6.821 -9.473 2.693 1.00 0.00 C ATOM 1255 CG2 ILE C 3 -8.580 -7.833 3.167 1.00 0.00 C ATOM 1256 CD1 ILE C 3 -6.133 -10.719 3.237 1.00 0.00 C ATOM 0 H ILE C 3 -5.526 -8.600 5.965 1.00 0.00 H new ATOM 0 HA ILE C 3 -6.042 -7.004 3.531 1.00 0.00 H new ATOM 0 HB ILE C 3 -7.733 -9.238 4.626 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -7.610 -9.770 2.003 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -6.102 -8.886 2.121 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -9.304 -8.538 2.758 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -9.063 -7.216 3.925 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -8.202 -7.196 2.367 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -5.727 -11.301 2.410 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -5.324 -10.425 3.906 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -6.856 -11.324 3.785 1.00 0.00 H new ATOM 1268 N LEU C 4 -7.367 -5.460 5.045 1.00 0.00 N ATOM 1269 CA LEU C 4 -8.007 -4.509 5.936 1.00 0.00 C ATOM 1270 C LEU C 4 -8.591 -3.362 5.118 1.00 0.00 C ATOM 1271 O LEU C 4 -8.253 -3.204 3.943 1.00 0.00 O ATOM 1272 CB LEU C 4 -7.033 -4.071 7.048 1.00 0.00 C ATOM 1273 CG LEU C 4 -5.555 -3.927 6.651 1.00 0.00 C ATOM 1274 CD1 LEU C 4 -5.279 -2.626 5.911 1.00 0.00 C ATOM 1275 CD2 LEU C 4 -4.707 -3.932 7.919 1.00 0.00 C ATOM 0 H LEU C 4 -7.166 -5.086 4.117 1.00 0.00 H new ATOM 0 HA LEU C 4 -8.845 -4.972 6.457 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -7.375 -3.114 7.443 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -7.098 -4.793 7.862 1.00 0.00 H new ATOM 0 HG LEU C 4 -5.309 -4.758 5.990 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -4.221 -2.572 5.652 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -5.877 -2.591 5.001 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -5.540 -1.782 6.549 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -3.655 -3.831 7.653 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -5.002 -3.099 8.557 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -4.857 -4.870 8.454 1.00 0.00 H new ATOM 1287 N THR C 5 -9.464 -2.560 5.729 1.00 0.00 N ATOM 1288 CA THR C 5 -10.217 -1.549 4.989 1.00 0.00 C ATOM 1289 C THR C 5 -9.992 -0.155 5.561 1.00 0.00 C ATOM 1290 O THR C 5 -9.798 0.017 6.763 1.00 0.00 O ATOM 1291 CB THR C 5 -11.715 -1.895 5.006 1.00 0.00 C ATOM 1292 OG1 THR C 5 -11.899 -3.281 4.820 1.00 0.00 O ATOM 1293 CG2 THR C 5 -12.472 -1.165 3.901 1.00 0.00 C ATOM 0 H THR C 5 -9.666 -2.591 6.728 1.00 0.00 H new ATOM 0 HA THR C 5 -9.858 -1.547 3.960 1.00 0.00 H new ATOM 0 HB THR C 5 -12.104 -1.583 5.975 1.00 0.00 H new ATOM 0 HG1 THR C 5 -12.857 -3.489 4.835 1.00 0.00 H new ATOM 0 HG21 THR C 5 -13.527 -1.434 3.944 1.00 0.00 H new ATOM 0 HG22 THR C 5 -12.366 -0.089 4.037 1.00 0.00 H new ATOM 0 HG23 THR C 5 -12.064 -1.450 2.931 1.00 0.00 H new ATOM 1301 N ARG C 6 -10.025 0.828 4.664 1.00 0.00 N ATOM 1302 CA ARG C 6 -9.810 2.242 4.938 1.00 0.00 C ATOM 1303 C ARG C 6 -10.798 3.038 4.103 1.00 0.00 C ATOM 1304 O ARG C 6 -11.505 2.455 3.288 1.00 0.00 O ATOM 1305 CB ARG C 6 -8.393 2.626 4.494 1.00 0.00 C ATOM 1306 CG ARG C 6 -7.303 2.036 5.386 1.00 0.00 C ATOM 1307 CD ARG C 6 -6.815 3.063 6.408 1.00 0.00 C ATOM 1308 NE ARG C 6 -7.898 3.538 7.269 1.00 0.00 N ATOM 1309 CZ ARG C 6 -7.735 3.904 8.542 1.00 0.00 C ATOM 1310 NH1 ARG C 6 -6.528 3.886 9.111 1.00 0.00 N ATOM 1311 NH2 ARG C 6 -8.784 4.295 9.255 1.00 0.00 N ATOM 0 H ARG C 6 -10.212 0.648 3.678 1.00 0.00 H new ATOM 0 HA ARG C 6 -9.940 2.445 6.001 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -8.237 2.289 3.469 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -8.302 3.712 4.490 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -7.688 1.157 5.904 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -6.466 1.703 4.772 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -6.032 2.619 7.022 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.369 3.910 5.886 1.00 0.00 H new ATOM 0 HE ARG C 6 -8.836 3.593 6.872 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -5.714 3.590 8.572 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -6.419 4.169 10.085 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -9.711 4.315 8.830 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -8.663 4.575 10.228 1.00 0.00 H new ATOM 1325 N LYS C 7 -10.864 4.356 4.287 1.00 0.00 N ATOM 1326 CA LYS C 7 -11.598 5.209 3.363 1.00 0.00 C ATOM 1327 C LYS C 7 -10.752 6.412 2.966 1.00 0.00 C ATOM 1328 O LYS C 7 -9.691 6.650 3.539 1.00 0.00 O ATOM 1329 CB LYS C 7 -12.961 5.654 3.891 1.00 0.00 C ATOM 1330 CG LYS C 7 -12.876 6.408 5.213 1.00 0.00 C ATOM 1331 CD LYS C 7 -14.094 7.328 5.300 1.00 0.00 C ATOM 1332 CE LYS C 7 -14.177 8.041 6.647 1.00 0.00 C ATOM 1333 NZ LYS C 7 -12.926 8.747 6.978 1.00 0.00 N ATOM 0 H LYS C 7 -10.421 4.850 5.062 1.00 0.00 H new ATOM 0 HA LYS C 7 -11.803 4.602 2.481 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -13.441 6.290 3.148 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -13.597 4.778 4.020 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -12.862 5.711 6.051 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -11.954 6.987 5.265 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -14.048 8.068 4.501 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -15.001 6.745 5.142 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -15.001 8.754 6.629 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -14.401 7.314 7.428 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -13.100 9.415 7.756 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -12.204 8.057 7.269 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -12.590 9.268 6.143 1.00 0.00 H new ATOM 1347 N VAL C 8 -11.236 7.169 1.984 1.00 0.00 N ATOM 1348 CA VAL C 8 -10.462 8.261 1.417 1.00 0.00 C ATOM 1349 C VAL C 8 -10.030 9.262 2.484 1.00 0.00 C ATOM 1350 O VAL C 8 -10.846 9.754 3.263 1.00 0.00 O ATOM 1351 CB VAL C 8 -11.203 8.908 0.245 1.00 0.00 C ATOM 1352 CG1 VAL C 8 -11.645 7.816 -0.732 1.00 0.00 C ATOM 1353 CG2 VAL C 8 -12.440 9.703 0.641 1.00 0.00 C ATOM 0 H VAL C 8 -12.159 7.044 1.568 1.00 0.00 H new ATOM 0 HA VAL C 8 -9.539 7.848 1.010 1.00 0.00 H new ATOM 0 HB VAL C 8 -10.497 9.611 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -12.174 8.270 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -10.769 7.282 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -12.307 7.117 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -12.902 10.126 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -13.151 9.045 1.140 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -12.154 10.508 1.318 1.00 0.00 H new ATOM 1363 N GLY C 9 -8.730 9.557 2.502 1.00 0.00 N ATOM 1364 CA GLY C 9 -8.141 10.501 3.442 1.00 0.00 C ATOM 1365 C GLY C 9 -7.466 9.804 4.622 1.00 0.00 C ATOM 1366 O GLY C 9 -6.995 10.479 5.535 1.00 0.00 O ATOM 0 H GLY C 9 -8.055 9.143 1.859 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -7.409 11.119 2.922 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -8.916 11.171 3.814 1.00 0.00 H new ATOM 1370 N GLU C 10 -7.414 8.467 4.621 1.00 0.00 N ATOM 1371 CA GLU C 10 -6.811 7.698 5.702 1.00 0.00 C ATOM 1372 C GLU C 10 -5.507 7.033 5.246 1.00 0.00 C ATOM 1373 O GLU C 10 -5.107 7.188 4.093 1.00 0.00 O ATOM 1374 CB GLU C 10 -7.819 6.666 6.212 1.00 0.00 C ATOM 1375 CG GLU C 10 -9.092 7.365 6.694 1.00 0.00 C ATOM 1376 CD GLU C 10 -10.154 6.386 7.192 1.00 0.00 C ATOM 1377 OE1 GLU C 10 -10.059 5.186 6.852 1.00 0.00 O ATOM 1378 OE2 GLU C 10 -11.056 6.860 7.916 1.00 0.00 O ATOM 0 H GLU C 10 -7.791 7.892 3.867 1.00 0.00 H new ATOM 0 HA GLU C 10 -6.554 8.371 6.520 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -8.061 5.960 5.418 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -7.380 6.090 7.027 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -8.839 8.058 7.496 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.506 7.959 5.879 1.00 0.00 H new ATOM 1385 N SER C 11 -4.843 6.295 6.143 1.00 0.00 N ATOM 1386 CA SER C 11 -3.514 5.757 5.866 1.00 0.00 C ATOM 1387 C SER C 11 -3.266 4.388 6.504 1.00 0.00 C ATOM 1388 O SER C 11 -4.038 3.930 7.352 1.00 0.00 O ATOM 1389 CB SER C 11 -2.461 6.739 6.388 1.00 0.00 C ATOM 1390 OG SER C 11 -2.561 7.981 5.723 1.00 0.00 O ATOM 0 H SER C 11 -5.208 6.059 7.066 1.00 0.00 H new ATOM 0 HA SER C 11 -3.445 5.626 4.786 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.592 6.884 7.460 1.00 0.00 H new ATOM 0 HB3 SER C 11 -1.464 6.322 6.242 1.00 0.00 H new ATOM 0 HG SER C 11 -1.881 8.594 6.072 1.00 0.00 H new ATOM 1396 N ILE C 12 -2.171 3.754 6.073 1.00 0.00 N ATOM 1397 CA ILE C 12 -1.681 2.449 6.508 1.00 0.00 C ATOM 1398 C ILE C 12 -0.150 2.547 6.553 1.00 0.00 C ATOM 1399 O ILE C 12 0.418 3.491 6.000 1.00 0.00 O ATOM 1400 CB ILE C 12 -2.145 1.363 5.509 1.00 0.00 C ATOM 1401 CG1 ILE C 12 -3.675 1.268 5.412 1.00 0.00 C ATOM 1402 CG2 ILE C 12 -1.592 -0.026 5.849 1.00 0.00 C ATOM 1403 CD1 ILE C 12 -4.325 0.767 6.701 1.00 0.00 C ATOM 0 H ILE C 12 -1.566 4.169 5.364 1.00 0.00 H new ATOM 0 HA ILE C 12 -2.069 2.175 7.489 1.00 0.00 H new ATOM 0 HB ILE C 12 -1.744 1.681 4.547 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.080 2.250 5.165 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -3.941 0.599 4.594 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -1.949 -0.749 5.116 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -0.503 0.002 5.831 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -1.931 -0.319 6.843 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -5.406 0.722 6.570 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -3.946 -0.227 6.937 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -4.087 1.449 7.517 1.00 0.00 H new ATOM 1415 N ASN C 13 0.539 1.600 7.194 1.00 0.00 N ATOM 1416 CA ASN C 13 1.993 1.640 7.295 1.00 0.00 C ATOM 1417 C ASN C 13 2.620 0.264 7.108 1.00 0.00 C ATOM 1418 O ASN C 13 1.984 -0.763 7.334 1.00 0.00 O ATOM 1419 CB ASN C 13 2.409 2.212 8.652 1.00 0.00 C ATOM 1420 CG ASN C 13 2.157 3.711 8.735 1.00 0.00 C ATOM 1421 OD1 ASN C 13 1.086 4.154 9.141 1.00 0.00 O ATOM 1422 ND2 ASN C 13 3.151 4.498 8.346 1.00 0.00 N ATOM 0 H ASN C 13 0.109 0.796 7.651 1.00 0.00 H new ATOM 0 HA ASN C 13 2.355 2.283 6.493 1.00 0.00 H new ATOM 0 HB2 ASN C 13 1.857 1.706 9.444 1.00 0.00 H new ATOM 0 HB3 ASN C 13 3.467 2.011 8.822 1.00 0.00 H new ATOM 0 HD21 ASN C 13 3.041 5.512 8.378 1.00 0.00 H new ATOM 0 HD22 ASN C 13 4.025 4.090 8.015 1.00 0.00 H new ATOM 1429 N ILE C 14 3.887 0.264 6.683 1.00 0.00 N ATOM 1430 CA ILE C 14 4.661 -0.945 6.442 1.00 0.00 C ATOM 1431 C ILE C 14 6.083 -0.709 6.949 1.00 0.00 C ATOM 1432 O ILE C 14 6.562 0.427 6.984 1.00 0.00 O ATOM 1433 CB ILE C 14 4.654 -1.291 4.941 1.00 0.00 C ATOM 1434 CG1 ILE C 14 3.206 -1.418 4.444 1.00 0.00 C ATOM 1435 CG2 ILE C 14 5.412 -2.604 4.691 1.00 0.00 C ATOM 1436 CD1 ILE C 14 3.117 -1.748 2.952 1.00 0.00 C ATOM 0 H ILE C 14 4.407 1.121 6.495 1.00 0.00 H new ATOM 0 HA ILE C 14 4.223 -1.790 6.972 1.00 0.00 H new ATOM 0 HB ILE C 14 5.153 -0.492 4.393 1.00 0.00 H new ATOM 0 HG12 ILE C 14 2.698 -2.196 5.014 1.00 0.00 H new ATOM 0 HG13 ILE C 14 2.677 -0.485 4.637 1.00 0.00 H new ATOM 0 HG21 ILE C 14 5.398 -2.835 3.626 1.00 0.00 H new ATOM 0 HG22 ILE C 14 6.444 -2.498 5.026 1.00 0.00 H new ATOM 0 HG23 ILE C 14 4.932 -3.412 5.244 1.00 0.00 H new ATOM 0 HD11 ILE C 14 2.070 -1.825 2.658 1.00 0.00 H new ATOM 0 HD12 ILE C 14 3.598 -0.958 2.375 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.619 -2.696 2.758 1.00 0.00 H new ATOM 1448 N GLY C 15 6.764 -1.787 7.343 1.00 0.00 N ATOM 1449 CA GLY C 15 8.106 -1.708 7.886 1.00 0.00 C ATOM 1450 C GLY C 15 8.153 -0.725 9.049 1.00 0.00 C ATOM 1451 O GLY C 15 7.246 -0.684 9.879 1.00 0.00 O ATOM 0 H GLY C 15 6.394 -2.736 7.291 1.00 0.00 H new ATOM 0 HA2 GLY C 15 8.428 -2.694 8.222 1.00 0.00 H new ATOM 0 HA3 GLY C 15 8.802 -1.394 7.108 1.00 0.00 H new ATOM 1455 N ASP C 16 9.225 0.063 9.097 1.00 0.00 N ATOM 1456 CA ASP C 16 9.420 1.103 10.099 1.00 0.00 C ATOM 1457 C ASP C 16 9.806 2.408 9.395 1.00 0.00 C ATOM 1458 O ASP C 16 10.208 3.374 10.042 1.00 0.00 O ATOM 1459 CB ASP C 16 10.488 0.627 11.083 1.00 0.00 C ATOM 1460 CG ASP C 16 10.595 1.516 12.317 1.00 0.00 C ATOM 1461 OD1 ASP C 16 9.638 1.499 13.121 1.00 0.00 O ATOM 1462 OD2 ASP C 16 11.630 2.205 12.449 1.00 0.00 O ATOM 0 H ASP C 16 9.993 -0.006 8.429 1.00 0.00 H new ATOM 0 HA ASP C 16 8.507 1.297 10.662 1.00 0.00 H new ATOM 0 HB2 ASP C 16 10.260 -0.392 11.394 1.00 0.00 H new ATOM 0 HB3 ASP C 16 11.453 0.597 10.578 1.00 0.00 H new ATOM 1467 N ASP C 17 9.682 2.426 8.061 1.00 0.00 N ATOM 1468 CA ASP C 17 10.090 3.548 7.225 1.00 0.00 C ATOM 1469 C ASP C 17 9.155 3.736 6.026 1.00 0.00 C ATOM 1470 O ASP C 17 9.493 4.489 5.113 1.00 0.00 O ATOM 1471 CB ASP C 17 11.521 3.319 6.726 1.00 0.00 C ATOM 1472 CG ASP C 17 12.521 3.214 7.876 1.00 0.00 C ATOM 1473 OD1 ASP C 17 12.944 4.282 8.375 1.00 0.00 O ATOM 1474 OD2 ASP C 17 12.858 2.067 8.246 1.00 0.00 O ATOM 0 H ASP C 17 9.289 1.648 7.531 1.00 0.00 H new ATOM 0 HA ASP C 17 10.041 4.452 7.832 1.00 0.00 H new ATOM 0 HB2 ASP C 17 11.555 2.406 6.132 1.00 0.00 H new ATOM 0 HB3 ASP C 17 11.811 4.138 6.068 1.00 0.00 H new ATOM 1479 N ILE C 18 7.990 3.074 6.000 1.00 0.00 N ATOM 1480 CA ILE C 18 7.071 3.192 4.873 1.00 0.00 C ATOM 1481 C ILE C 18 5.674 3.566 5.353 1.00 0.00 C ATOM 1482 O ILE C 18 5.241 3.157 6.431 1.00 0.00 O ATOM 1483 CB ILE C 18 7.040 1.890 4.054 1.00 0.00 C ATOM 1484 CG1 ILE C 18 8.429 1.471 3.556 1.00 0.00 C ATOM 1485 CG2 ILE C 18 6.128 2.065 2.836 1.00 0.00 C ATOM 1486 CD1 ILE C 18 9.123 0.537 4.555 1.00 0.00 C ATOM 0 H ILE C 18 7.668 2.456 6.745 1.00 0.00 H new ATOM 0 HA ILE C 18 7.430 3.990 4.223 1.00 0.00 H new ATOM 0 HB ILE C 18 6.666 1.112 4.719 1.00 0.00 H new ATOM 0 HG12 ILE C 18 8.336 0.971 2.592 1.00 0.00 H new ATOM 0 HG13 ILE C 18 9.043 2.357 3.397 1.00 0.00 H new ATOM 0 HG21 ILE C 18 6.110 1.140 2.259 1.00 0.00 H new ATOM 0 HG22 ILE C 18 5.118 2.305 3.169 1.00 0.00 H new ATOM 0 HG23 ILE C 18 6.506 2.874 2.212 1.00 0.00 H new ATOM 0 HD11 ILE C 18 10.105 0.259 4.172 1.00 0.00 H new ATOM 0 HD12 ILE C 18 9.238 1.048 5.511 1.00 0.00 H new ATOM 0 HD13 ILE C 18 8.520 -0.360 4.693 1.00 0.00 H new ATOM 1498 N THR C 19 4.970 4.352 4.536 1.00 0.00 N ATOM 1499 CA THR C 19 3.603 4.781 4.803 1.00 0.00 C ATOM 1500 C THR C 19 2.808 4.706 3.505 1.00 0.00 C ATOM 1501 O THR C 19 3.381 4.814 2.421 1.00 0.00 O ATOM 1502 CB THR C 19 3.604 6.214 5.345 1.00 0.00 C ATOM 1503 OG1 THR C 19 4.452 6.312 6.466 1.00 0.00 O ATOM 1504 CG2 THR C 19 2.201 6.658 5.760 1.00 0.00 C ATOM 0 H THR C 19 5.343 4.712 3.657 1.00 0.00 H new ATOM 0 HA THR C 19 3.146 4.132 5.550 1.00 0.00 H new ATOM 0 HB THR C 19 3.960 6.861 4.543 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.445 7.233 6.802 1.00 0.00 H new ATOM 0 HG21 THR C 19 2.240 7.679 6.140 1.00 0.00 H new ATOM 0 HG22 THR C 19 1.536 6.617 4.897 1.00 0.00 H new ATOM 0 HG23 THR C 19 1.825 5.995 6.540 1.00 0.00 H new ATOM 1512 N ILE C 20 1.491 4.523 3.617 1.00 0.00 N ATOM 1513 CA ILE C 20 0.580 4.428 2.488 1.00 0.00 C ATOM 1514 C ILE C 20 -0.636 5.296 2.795 1.00 0.00 C ATOM 1515 O ILE C 20 -1.055 5.386 3.949 1.00 0.00 O ATOM 1516 CB ILE C 20 0.144 2.966 2.303 1.00 0.00 C ATOM 1517 CG1 ILE C 20 1.337 2.031 2.071 1.00 0.00 C ATOM 1518 CG2 ILE C 20 -0.864 2.838 1.156 1.00 0.00 C ATOM 1519 CD1 ILE C 20 2.028 2.268 0.728 1.00 0.00 C ATOM 0 H ILE C 20 1.023 4.435 4.519 1.00 0.00 H new ATOM 0 HA ILE C 20 1.065 4.766 1.572 1.00 0.00 H new ATOM 0 HB ILE C 20 -0.337 2.659 3.232 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.060 2.167 2.875 1.00 0.00 H new ATOM 0 HG13 ILE C 20 0.996 0.997 2.121 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.158 1.794 1.044 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.745 3.441 1.377 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.408 3.187 0.230 1.00 0.00 H new ATOM 0 HD11 ILE C 20 2.864 1.577 0.622 1.00 0.00 H new ATOM 0 HD12 ILE C 20 1.316 2.104 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE C 20 2.397 3.293 0.685 1.00 0.00 H new ATOM 1531 N THR C 21 -1.206 5.929 1.769 1.00 0.00 N ATOM 1532 CA THR C 21 -2.366 6.795 1.942 1.00 0.00 C ATOM 1533 C THR C 21 -3.333 6.599 0.781 1.00 0.00 C ATOM 1534 O THR C 21 -2.919 6.346 -0.346 1.00 0.00 O ATOM 1535 CB THR C 21 -1.905 8.258 2.008 1.00 0.00 C ATOM 1536 OG1 THR C 21 -0.927 8.399 3.012 1.00 0.00 O ATOM 1537 CG2 THR C 21 -3.061 9.198 2.344 1.00 0.00 C ATOM 0 H THR C 21 -0.879 5.856 0.806 1.00 0.00 H new ATOM 0 HA THR C 21 -2.877 6.540 2.870 1.00 0.00 H new ATOM 0 HB THR C 21 -1.505 8.519 1.028 1.00 0.00 H new ATOM 0 HG1 THR C 21 -1.343 8.286 3.892 1.00 0.00 H new ATOM 0 HG21 THR C 21 -2.696 10.224 2.382 1.00 0.00 H new ATOM 0 HG22 THR C 21 -3.832 9.115 1.578 1.00 0.00 H new ATOM 0 HG23 THR C 21 -3.481 8.926 3.312 1.00 0.00 H new ATOM 1545 N ILE C 22 -4.628 6.719 1.065 1.00 0.00 N ATOM 1546 CA ILE C 22 -5.686 6.585 0.075 1.00 0.00 C ATOM 1547 C ILE C 22 -6.215 7.986 -0.238 1.00 0.00 C ATOM 1548 O ILE C 22 -7.081 8.509 0.458 1.00 0.00 O ATOM 1549 CB ILE C 22 -6.756 5.597 0.579 1.00 0.00 C ATOM 1550 CG1 ILE C 22 -8.054 5.640 -0.232 1.00 0.00 C ATOM 1551 CG2 ILE C 22 -7.116 5.831 2.046 1.00 0.00 C ATOM 1552 CD1 ILE C 22 -7.805 5.499 -1.723 1.00 0.00 C ATOM 0 H ILE C 22 -4.974 6.915 2.004 1.00 0.00 H new ATOM 0 HA ILE C 22 -5.322 6.158 -0.859 1.00 0.00 H new ATOM 0 HB ILE C 22 -6.293 4.618 0.456 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -8.715 4.840 0.101 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -8.570 6.581 -0.039 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -7.874 5.110 2.354 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.226 5.708 2.663 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -7.506 6.842 2.168 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -8.755 5.535 -2.256 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -7.166 6.314 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -7.314 4.546 -1.921 1.00 0.00 H new ATOM 1564 N LEU C 23 -5.680 8.596 -1.299 1.00 0.00 N ATOM 1565 CA LEU C 23 -5.989 9.978 -1.637 1.00 0.00 C ATOM 1566 C LEU C 23 -7.450 10.150 -2.059 1.00 0.00 C ATOM 1567 O LEU C 23 -8.020 11.225 -1.868 1.00 0.00 O ATOM 1568 CB LEU C 23 -5.067 10.483 -2.754 1.00 0.00 C ATOM 1569 CG LEU C 23 -3.578 10.207 -2.518 1.00 0.00 C ATOM 1570 CD1 LEU C 23 -2.765 10.992 -3.540 1.00 0.00 C ATOM 1571 CD2 LEU C 23 -3.100 10.625 -1.135 1.00 0.00 C ATOM 0 H LEU C 23 -5.026 8.146 -1.940 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.824 10.570 -0.737 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.366 10.018 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.211 11.557 -2.870 1.00 0.00 H new ATOM 0 HG LEU C 23 -3.440 9.130 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -1.703 10.804 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -3.044 10.678 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -2.966 12.057 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -2.038 10.402 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -3.260 11.695 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.659 10.078 -0.376 1.00 0.00 H new ATOM 1583 N GLY C 24 -8.066 9.110 -2.626 1.00 0.00 N ATOM 1584 CA GLY C 24 -9.478 9.158 -2.992 1.00 0.00 C ATOM 1585 C GLY C 24 -9.863 8.102 -4.022 1.00 0.00 C ATOM 1586 O GLY C 24 -9.051 7.248 -4.372 1.00 0.00 O ATOM 0 H GLY C 24 -7.606 8.225 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -10.084 9.022 -2.097 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -9.711 10.146 -3.388 1.00 0.00 H new ATOM 1590 N VAL C 25 -11.110 8.158 -4.508 1.00 0.00 N ATOM 1591 CA VAL C 25 -11.607 7.215 -5.507 1.00 0.00 C ATOM 1592 C VAL C 25 -12.391 7.937 -6.599 1.00 0.00 C ATOM 1593 O VAL C 25 -12.800 9.087 -6.426 1.00 0.00 O ATOM 1594 CB VAL C 25 -12.490 6.139 -4.862 1.00 0.00 C ATOM 1595 CG1 VAL C 25 -11.814 5.516 -3.641 1.00 0.00 C ATOM 1596 CG2 VAL C 25 -13.850 6.698 -4.448 1.00 0.00 C ATOM 0 H VAL C 25 -11.796 8.856 -4.219 1.00 0.00 H new ATOM 0 HA VAL C 25 -10.740 6.732 -5.957 1.00 0.00 H new ATOM 0 HB VAL C 25 -12.639 5.370 -5.620 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -12.468 4.758 -3.210 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -10.873 5.055 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -11.618 6.290 -2.899 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -14.446 5.906 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -13.708 7.503 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -14.367 7.085 -5.326 1.00 0.00 H new ATOM 1606 N SER C 26 -12.602 7.254 -7.727 1.00 0.00 N ATOM 1607 CA SER C 26 -13.390 7.763 -8.837 1.00 0.00 C ATOM 1608 C SER C 26 -14.022 6.589 -9.579 1.00 0.00 C ATOM 1609 O SER C 26 -13.423 6.050 -10.512 1.00 0.00 O ATOM 1610 CB SER C 26 -12.503 8.592 -9.764 1.00 0.00 C ATOM 1611 OG SER C 26 -13.261 9.099 -10.845 1.00 0.00 O ATOM 0 H SER C 26 -12.223 6.321 -7.891 1.00 0.00 H new ATOM 0 HA SER C 26 -14.185 8.410 -8.467 1.00 0.00 H new ATOM 0 HB2 SER C 26 -12.054 9.415 -9.208 1.00 0.00 H new ATOM 0 HB3 SER C 26 -11.685 7.978 -10.141 1.00 0.00 H new ATOM 0 HG SER C 26 -12.681 9.630 -11.431 1.00 0.00 H new ATOM 1617 N GLY C 27 -15.228 6.184 -9.169 1.00 0.00 N ATOM 1618 CA GLY C 27 -15.897 5.046 -9.776 1.00 0.00 C ATOM 1619 C GLY C 27 -15.265 3.750 -9.285 1.00 0.00 C ATOM 1620 O GLY C 27 -15.630 3.252 -8.222 1.00 0.00 O ATOM 0 H GLY C 27 -15.755 6.632 -8.419 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -16.958 5.061 -9.526 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -15.825 5.107 -10.862 1.00 0.00 H new ATOM 1624 N GLN C 28 -14.318 3.207 -10.057 1.00 0.00 N ATOM 1625 CA GLN C 28 -13.566 2.034 -9.639 1.00 0.00 C ATOM 1626 C GLN C 28 -12.102 2.399 -9.442 1.00 0.00 C ATOM 1627 O GLN C 28 -11.363 1.634 -8.827 1.00 0.00 O ATOM 1628 CB GLN C 28 -13.646 0.916 -10.679 1.00 0.00 C ATOM 1629 CG GLN C 28 -15.062 0.412 -10.936 1.00 0.00 C ATOM 1630 CD GLN C 28 -15.836 0.148 -9.646 1.00 0.00 C ATOM 1631 OE1 GLN C 28 -16.952 0.631 -9.477 1.00 0.00 O ATOM 1632 NE2 GLN C 28 -15.259 -0.617 -8.723 1.00 0.00 N ATOM 0 H GLN C 28 -14.058 3.567 -10.975 1.00 0.00 H new ATOM 0 HA GLN C 28 -14.004 1.683 -8.705 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -13.223 1.275 -11.617 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -13.028 0.081 -10.349 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -15.601 1.146 -11.535 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -15.016 -0.506 -11.522 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -14.331 -1.005 -8.890 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -15.745 -0.815 -7.848 1.00 0.00 H new ATOM 1641 N GLN C 29 -11.679 3.558 -9.952 1.00 0.00 N ATOM 1642 CA GLN C 29 -10.311 3.995 -9.761 1.00 0.00 C ATOM 1643 C GLN C 29 -10.116 4.358 -8.297 1.00 0.00 C ATOM 1644 O GLN C 29 -11.048 4.799 -7.624 1.00 0.00 O ATOM 1645 CB GLN C 29 -9.981 5.194 -10.658 1.00 0.00 C ATOM 1646 CG GLN C 29 -10.060 4.830 -12.143 1.00 0.00 C ATOM 1647 CD GLN C 29 -8.879 3.978 -12.592 1.00 0.00 C ATOM 1648 OE1 GLN C 29 -7.740 4.223 -12.208 1.00 0.00 O ATOM 1649 NE2 GLN C 29 -9.136 2.966 -13.417 1.00 0.00 N ATOM 0 H GLN C 29 -12.262 4.197 -10.492 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.635 3.186 -10.038 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.674 6.009 -10.446 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -8.980 5.558 -10.425 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -10.988 4.291 -12.334 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.094 5.743 -12.738 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -10.093 2.785 -13.720 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -8.376 2.371 -13.746 1.00 0.00 H new ATOM 1658 N VAL C 30 -8.893 4.171 -7.814 1.00 0.00 N ATOM 1659 CA VAL C 30 -8.508 4.426 -6.442 1.00 0.00 C ATOM 1660 C VAL C 30 -7.145 5.094 -6.491 1.00 0.00 C ATOM 1661 O VAL C 30 -6.153 4.468 -6.858 1.00 0.00 O ATOM 1662 CB VAL C 30 -8.466 3.105 -5.663 1.00 0.00 C ATOM 1663 CG1 VAL C 30 -8.041 3.343 -4.219 1.00 0.00 C ATOM 1664 CG2 VAL C 30 -9.848 2.448 -5.637 1.00 0.00 C ATOM 0 H VAL C 30 -8.123 3.827 -8.388 1.00 0.00 H new ATOM 0 HA VAL C 30 -9.221 5.073 -5.931 1.00 0.00 H new ATOM 0 HB VAL C 30 -7.748 2.457 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -8.018 2.393 -3.685 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -7.048 3.793 -4.201 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -8.752 4.013 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -9.796 1.513 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -10.560 3.118 -5.156 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -10.173 2.245 -6.657 1.00 0.00 H new ATOM 1674 N ARG C 31 -7.101 6.376 -6.119 1.00 0.00 N ATOM 1675 CA ARG C 31 -5.872 7.156 -6.147 1.00 0.00 C ATOM 1676 C ARG C 31 -5.151 6.961 -4.829 1.00 0.00 C ATOM 1677 O ARG C 31 -5.741 7.141 -3.764 1.00 0.00 O ATOM 1678 CB ARG C 31 -6.224 8.622 -6.403 1.00 0.00 C ATOM 1679 CG ARG C 31 -5.006 9.372 -6.943 1.00 0.00 C ATOM 1680 CD ARG C 31 -5.425 10.781 -7.352 1.00 0.00 C ATOM 1681 NE ARG C 31 -4.453 11.371 -8.279 1.00 0.00 N ATOM 1682 CZ ARG C 31 -4.593 12.579 -8.829 1.00 0.00 C ATOM 1683 NH1 ARG C 31 -5.646 13.341 -8.552 1.00 0.00 N ATOM 1684 NH2 ARG C 31 -3.670 13.038 -9.674 1.00 0.00 N ATOM 0 H ARG C 31 -7.915 6.896 -5.792 1.00 0.00 H new ATOM 0 HA ARG C 31 -5.208 6.830 -6.948 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -7.046 8.687 -7.116 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.567 9.088 -5.479 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -4.226 9.418 -6.183 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -4.587 8.842 -7.798 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -6.408 10.750 -7.822 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -5.515 11.409 -6.466 1.00 0.00 H new ATOM 0 HE ARG C 31 -3.623 10.827 -8.517 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -6.364 13.005 -7.910 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -5.736 14.262 -8.982 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -2.856 12.466 -9.900 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.777 13.961 -10.094 1.00 0.00 H new ATOM 1698 N ILE C 32 -3.873 6.594 -4.903 1.00 0.00 N ATOM 1699 CA ILE C 32 -3.118 6.154 -3.739 1.00 0.00 C ATOM 1700 C ILE C 32 -1.788 6.890 -3.684 1.00 0.00 C ATOM 1701 O ILE C 32 -1.286 7.343 -4.711 1.00 0.00 O ATOM 1702 CB ILE C 32 -2.890 4.635 -3.816 1.00 0.00 C ATOM 1703 CG1 ILE C 32 -4.118 3.923 -4.405 1.00 0.00 C ATOM 1704 CG2 ILE C 32 -2.549 4.078 -2.430 1.00 0.00 C ATOM 1705 CD1 ILE C 32 -4.021 2.400 -4.319 1.00 0.00 C ATOM 0 H ILE C 32 -3.336 6.594 -5.770 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.680 6.379 -2.832 1.00 0.00 H new ATOM 0 HB ILE C 32 -2.047 4.448 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -5.012 4.255 -3.877 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.236 4.216 -5.448 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.390 3.002 -2.499 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -1.642 4.555 -2.059 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -3.372 4.280 -1.744 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -4.917 1.953 -4.750 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -3.144 2.060 -4.870 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -3.933 2.099 -3.275 1.00 0.00 H new ATOM 1717 N GLY C 33 -1.220 7.001 -2.485 1.00 0.00 N ATOM 1718 CA GLY C 33 0.077 7.617 -2.281 1.00 0.00 C ATOM 1719 C GLY C 33 0.954 6.689 -1.453 1.00 0.00 C ATOM 1720 O GLY C 33 0.453 5.873 -0.679 1.00 0.00 O ATOM 0 H GLY C 33 -1.654 6.662 -1.626 1.00 0.00 H new ATOM 0 HA2 GLY C 33 0.550 7.821 -3.242 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -0.039 8.575 -1.773 1.00 0.00 H new ATOM 1724 N ILE C 34 2.268 6.824 -1.624 1.00 0.00 N ATOM 1725 CA ILE C 34 3.252 5.963 -0.982 1.00 0.00 C ATOM 1726 C ILE C 34 4.434 6.812 -0.555 1.00 0.00 C ATOM 1727 O ILE C 34 4.818 7.746 -1.253 1.00 0.00 O ATOM 1728 CB ILE C 34 3.711 4.877 -1.966 1.00 0.00 C ATOM 1729 CG1 ILE C 34 2.501 4.096 -2.506 1.00 0.00 C ATOM 1730 CG2 ILE C 34 4.704 3.936 -1.277 1.00 0.00 C ATOM 1731 CD1 ILE C 34 2.898 3.081 -3.574 1.00 0.00 C ATOM 0 H ILE C 34 2.681 7.542 -2.219 1.00 0.00 H new ATOM 0 HA ILE C 34 2.813 5.479 -0.110 1.00 0.00 H new ATOM 0 HB ILE C 34 4.211 5.351 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE C 34 2.007 3.580 -1.683 1.00 0.00 H new ATOM 0 HG13 ILE C 34 1.777 4.795 -2.924 1.00 0.00 H new ATOM 0 HG21 ILE C 34 5.026 3.168 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE C 34 5.570 4.505 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE C 34 4.224 3.464 -0.420 1.00 0.00 H new ATOM 0 HD11 ILE C 34 2.010 2.555 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE C 34 3.367 3.598 -4.411 1.00 0.00 H new ATOM 0 HD13 ILE C 34 3.601 2.364 -3.151 1.00 0.00 H new ATOM 1743 N ASN C 35 5.017 6.484 0.594 1.00 0.00 N ATOM 1744 CA ASN C 35 6.098 7.273 1.146 1.00 0.00 C ATOM 1745 C ASN C 35 7.147 6.346 1.744 1.00 0.00 C ATOM 1746 O ASN C 35 6.936 5.759 2.803 1.00 0.00 O ATOM 1747 CB ASN C 35 5.500 8.226 2.182 1.00 0.00 C ATOM 1748 CG ASN C 35 6.475 9.316 2.604 1.00 0.00 C ATOM 1749 OD1 ASN C 35 7.683 9.107 2.655 1.00 0.00 O ATOM 1750 ND2 ASN C 35 5.944 10.496 2.910 1.00 0.00 N ATOM 0 H ASN C 35 4.754 5.675 1.157 1.00 0.00 H new ATOM 0 HA ASN C 35 6.598 7.864 0.379 1.00 0.00 H new ATOM 0 HB2 ASN C 35 4.601 8.686 1.771 1.00 0.00 H new ATOM 0 HB3 ASN C 35 5.194 7.657 3.060 1.00 0.00 H new ATOM 0 HD21 ASN C 35 6.546 11.267 3.199 1.00 0.00 H new ATOM 0 HD22 ASN C 35 4.934 10.631 2.855 1.00 0.00 H new ATOM 1757 N ALA C 36 8.278 6.229 1.047 1.00 0.00 N ATOM 1758 CA ALA C 36 9.394 5.397 1.457 1.00 0.00 C ATOM 1759 C ALA C 36 10.698 6.031 0.983 1.00 0.00 C ATOM 1760 O ALA C 36 10.701 6.819 0.036 1.00 0.00 O ATOM 1761 CB ALA C 36 9.246 4.011 0.826 1.00 0.00 C ATOM 0 H ALA C 36 8.440 6.721 0.168 1.00 0.00 H new ATOM 0 HA ALA C 36 9.406 5.307 2.543 1.00 0.00 H new ATOM 0 HB1 ALA C 36 10.082 3.381 1.131 1.00 0.00 H new ATOM 0 HB2 ALA C 36 8.311 3.558 1.157 1.00 0.00 H new ATOM 0 HB3 ALA C 36 9.239 4.104 -0.260 1.00 0.00 H new ATOM 1767 N PRO C 37 11.817 5.686 1.632 1.00 0.00 N ATOM 1768 CA PRO C 37 13.134 6.139 1.230 1.00 0.00 C ATOM 1769 C PRO C 37 13.503 5.587 -0.146 1.00 0.00 C ATOM 1770 O PRO C 37 12.956 4.578 -0.586 1.00 0.00 O ATOM 1771 CB PRO C 37 14.079 5.612 2.308 1.00 0.00 C ATOM 1772 CG PRO C 37 13.336 4.445 2.951 1.00 0.00 C ATOM 1773 CD PRO C 37 11.874 4.835 2.804 1.00 0.00 C ATOM 0 HA PRO C 37 13.185 7.224 1.142 1.00 0.00 H new ATOM 0 HB2 PRO C 37 15.026 5.287 1.878 1.00 0.00 H new ATOM 0 HB3 PRO C 37 14.310 6.384 3.042 1.00 0.00 H new ATOM 0 HG2 PRO C 37 13.553 3.503 2.447 1.00 0.00 H new ATOM 0 HG3 PRO C 37 13.615 4.318 3.997 1.00 0.00 H new ATOM 0 HD2 PRO C 37 11.243 3.955 2.681 1.00 0.00 H new ATOM 0 HD3 PRO C 37 11.517 5.361 3.689 1.00 0.00 H new ATOM 1781 N LYS C 38 14.439 6.245 -0.835 1.00 0.00 N ATOM 1782 CA LYS C 38 14.939 5.772 -2.122 1.00 0.00 C ATOM 1783 C LYS C 38 15.814 4.536 -1.934 1.00 0.00 C ATOM 1784 O LYS C 38 16.280 3.941 -2.904 1.00 0.00 O ATOM 1785 CB LYS C 38 15.699 6.902 -2.822 1.00 0.00 C ATOM 1786 CG LYS C 38 14.744 8.058 -3.129 1.00 0.00 C ATOM 1787 CD LYS C 38 13.770 7.695 -4.248 1.00 0.00 C ATOM 1788 CE LYS C 38 14.409 7.973 -5.606 1.00 0.00 C ATOM 1789 NZ LYS C 38 13.460 7.725 -6.705 1.00 0.00 N ATOM 0 H LYS C 38 14.867 7.114 -0.517 1.00 0.00 H new ATOM 0 HA LYS C 38 14.100 5.481 -2.754 1.00 0.00 H new ATOM 0 HB2 LYS C 38 16.515 7.251 -2.189 1.00 0.00 H new ATOM 0 HB3 LYS C 38 16.147 6.534 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS C 38 14.186 8.319 -2.230 1.00 0.00 H new ATOM 0 HG3 LYS C 38 15.318 8.939 -3.416 1.00 0.00 H new ATOM 0 HD2 LYS C 38 13.495 6.643 -4.175 1.00 0.00 H new ATOM 0 HD3 LYS C 38 12.852 8.273 -4.144 1.00 0.00 H new ATOM 0 HE2 LYS C 38 14.751 9.007 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS C 38 15.288 7.342 -5.733 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 13.923 7.923 -7.615 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 13.153 6.732 -6.681 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 12.633 8.346 -6.596 1.00 0.00 H new ATOM 1803 N ASP C 39 16.028 4.161 -0.674 1.00 0.00 N ATOM 1804 CA ASP C 39 16.738 2.950 -0.281 1.00 0.00 C ATOM 1805 C ASP C 39 15.922 1.703 -0.619 1.00 0.00 C ATOM 1806 O ASP C 39 16.416 0.581 -0.494 1.00 0.00 O ATOM 1807 CB ASP C 39 16.993 2.996 1.223 1.00 0.00 C ATOM 1808 CG ASP C 39 18.051 4.038 1.572 1.00 0.00 C ATOM 1809 OD1 ASP C 39 19.251 3.701 1.461 1.00 0.00 O ATOM 1810 OD2 ASP C 39 17.655 5.166 1.947 1.00 0.00 O ATOM 0 H ASP C 39 15.702 4.708 0.123 1.00 0.00 H new ATOM 0 HA ASP C 39 17.680 2.901 -0.827 1.00 0.00 H new ATOM 0 HB2 ASP C 39 16.065 3.228 1.745 1.00 0.00 H new ATOM 0 HB3 ASP C 39 17.317 2.015 1.570 1.00 0.00 H new ATOM 1815 N VAL C 40 14.673 1.899 -1.054 1.00 0.00 N ATOM 1816 CA VAL C 40 13.766 0.830 -1.441 1.00 0.00 C ATOM 1817 C VAL C 40 13.059 1.237 -2.732 1.00 0.00 C ATOM 1818 O VAL C 40 13.142 2.395 -3.146 1.00 0.00 O ATOM 1819 CB VAL C 40 12.755 0.536 -0.324 1.00 0.00 C ATOM 1820 CG1 VAL C 40 13.466 0.209 0.991 1.00 0.00 C ATOM 1821 CG2 VAL C 40 11.839 1.727 -0.064 1.00 0.00 C ATOM 0 H VAL C 40 14.262 2.828 -1.146 1.00 0.00 H new ATOM 0 HA VAL C 40 14.330 -0.087 -1.609 1.00 0.00 H new ATOM 0 HB VAL C 40 12.168 -0.317 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL C 40 12.725 0.005 1.764 1.00 0.00 H new ATOM 0 HG12 VAL C 40 14.099 -0.668 0.854 1.00 0.00 H new ATOM 0 HG13 VAL C 40 14.081 1.057 1.293 1.00 0.00 H new ATOM 0 HG21 VAL C 40 11.138 1.480 0.733 1.00 0.00 H new ATOM 0 HG22 VAL C 40 12.437 2.588 0.233 1.00 0.00 H new ATOM 0 HG23 VAL C 40 11.286 1.966 -0.972 1.00 0.00 H new ATOM 1831 N ALA C 41 12.362 0.298 -3.371 1.00 0.00 N ATOM 1832 CA ALA C 41 11.740 0.567 -4.653 1.00 0.00 C ATOM 1833 C ALA C 41 10.219 0.521 -4.542 1.00 0.00 C ATOM 1834 O ALA C 41 9.676 -0.092 -3.627 1.00 0.00 O ATOM 1835 CB ALA C 41 12.244 -0.449 -5.675 1.00 0.00 C ATOM 0 H ALA C 41 12.218 -0.648 -3.019 1.00 0.00 H new ATOM 0 HA ALA C 41 12.011 1.571 -4.980 1.00 0.00 H new ATOM 0 HB1 ALA C 41 11.780 -0.253 -6.642 1.00 0.00 H new ATOM 0 HB2 ALA C 41 13.327 -0.365 -5.768 1.00 0.00 H new ATOM 0 HB3 ALA C 41 11.985 -1.455 -5.346 1.00 0.00 H new ATOM 1841 N VAL C 42 9.533 1.174 -5.482 1.00 0.00 N ATOM 1842 CA VAL C 42 8.082 1.130 -5.557 1.00 0.00 C ATOM 1843 C VAL C 42 7.625 1.486 -6.968 1.00 0.00 C ATOM 1844 O VAL C 42 8.071 2.481 -7.534 1.00 0.00 O ATOM 1845 CB VAL C 42 7.476 2.074 -4.507 1.00 0.00 C ATOM 1846 CG1 VAL C 42 8.266 3.376 -4.370 1.00 0.00 C ATOM 1847 CG2 VAL C 42 6.024 2.414 -4.844 1.00 0.00 C ATOM 0 H VAL C 42 9.970 1.744 -6.206 1.00 0.00 H new ATOM 0 HA VAL C 42 7.732 0.121 -5.339 1.00 0.00 H new ATOM 0 HB VAL C 42 7.521 1.539 -3.559 1.00 0.00 H new ATOM 0 HG11 VAL C 42 7.797 4.008 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL C 42 9.289 3.151 -4.070 1.00 0.00 H new ATOM 0 HG13 VAL C 42 8.275 3.898 -5.327 1.00 0.00 H new ATOM 0 HG21 VAL C 42 5.621 3.083 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL C 42 5.981 2.903 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL C 42 5.433 1.499 -4.871 1.00 0.00 H new ATOM 1857 N HIS C 43 6.729 0.666 -7.531 1.00 0.00 N ATOM 1858 CA HIS C 43 6.159 0.886 -8.855 1.00 0.00 C ATOM 1859 C HIS C 43 4.824 0.159 -8.947 1.00 0.00 C ATOM 1860 O HIS C 43 4.471 -0.596 -8.044 1.00 0.00 O ATOM 1861 CB HIS C 43 7.071 0.316 -9.949 1.00 0.00 C ATOM 1862 CG HIS C 43 8.548 0.484 -9.714 1.00 0.00 C ATOM 1863 ND1 HIS C 43 9.340 1.515 -10.221 1.00 0.00 N ATOM 1864 CD2 HIS C 43 9.319 -0.362 -8.968 1.00 0.00 C ATOM 1865 CE1 HIS C 43 10.577 1.264 -9.761 1.00 0.00 C ATOM 1866 NE2 HIS C 43 10.596 0.146 -9.011 1.00 0.00 N ATOM 0 H HIS C 43 6.380 -0.175 -7.072 1.00 0.00 H new ATOM 0 HA HIS C 43 6.042 1.960 -8.999 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.857 -0.747 -10.059 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.815 0.792 -10.896 1.00 0.00 H new ATOM 0 HD1 HIS C 43 9.044 2.291 -10.813 1.00 0.00 H new ATOM 0 HD2 HIS C 43 8.991 -1.251 -8.449 1.00 0.00 H new ATOM 0 HE1 HIS C 43 11.442 1.878 -9.966 1.00 0.00 H new ATOM 1874 N ARG C 44 4.072 0.376 -10.030 1.00 0.00 N ATOM 1875 CA ARG C 44 2.861 -0.395 -10.240 1.00 0.00 C ATOM 1876 C ARG C 44 3.265 -1.831 -10.537 1.00 0.00 C ATOM 1877 O ARG C 44 4.379 -2.082 -10.993 1.00 0.00 O ATOM 1878 CB ARG C 44 2.021 0.181 -11.383 1.00 0.00 C ATOM 1879 CG ARG C 44 1.647 1.638 -11.111 1.00 0.00 C ATOM 1880 CD ARG C 44 0.511 2.102 -12.024 1.00 0.00 C ATOM 1881 NE ARG C 44 0.797 1.854 -13.443 1.00 0.00 N ATOM 1882 CZ ARG C 44 1.716 2.507 -14.160 1.00 0.00 C ATOM 1883 NH1 ARG C 44 2.483 3.446 -13.613 1.00 0.00 N ATOM 1884 NH2 ARG C 44 1.870 2.220 -15.447 1.00 0.00 N ATOM 0 H ARG C 44 4.280 1.064 -10.754 1.00 0.00 H new ATOM 0 HA ARG C 44 2.241 -0.354 -9.344 1.00 0.00 H new ATOM 0 HB2 ARG C 44 2.578 0.114 -12.318 1.00 0.00 H new ATOM 0 HB3 ARG C 44 1.116 -0.413 -11.508 1.00 0.00 H new ATOM 0 HG2 ARG C 44 1.347 1.750 -10.069 1.00 0.00 H new ATOM 0 HG3 ARG C 44 2.520 2.274 -11.262 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -0.408 1.587 -11.746 1.00 0.00 H new ATOM 0 HD3 ARG C 44 0.338 3.167 -11.872 1.00 0.00 H new ATOM 0 HE ARG C 44 0.255 1.131 -13.915 1.00 0.00 H new ATOM 0 HH11 ARG C 44 2.376 3.681 -12.626 1.00 0.00 H new ATOM 0 HH12 ARG C 44 3.178 3.931 -14.180 1.00 0.00 H new ATOM 0 HH21 ARG C 44 1.288 1.504 -15.883 1.00 0.00 H new ATOM 0 HH22 ARG C 44 2.570 2.715 -16.000 1.00 0.00 H new ATOM 1898 N GLU C 45 2.365 -2.780 -10.286 1.00 0.00 N ATOM 1899 CA GLU C 45 2.663 -4.179 -10.542 1.00 0.00 C ATOM 1900 C GLU C 45 2.836 -4.423 -12.045 1.00 0.00 C ATOM 1901 O GLU C 45 3.247 -5.502 -12.464 1.00 0.00 O ATOM 1902 CB GLU C 45 1.552 -5.029 -9.915 1.00 0.00 C ATOM 1903 CG GLU C 45 1.808 -6.531 -10.005 1.00 0.00 C ATOM 1904 CD GLU C 45 3.204 -6.914 -9.526 1.00 0.00 C ATOM 1905 OE1 GLU C 45 3.623 -6.367 -8.483 1.00 0.00 O ATOM 1906 OE2 GLU C 45 3.834 -7.752 -10.210 1.00 0.00 O ATOM 0 H GLU C 45 1.434 -2.604 -9.909 1.00 0.00 H new ATOM 0 HA GLU C 45 3.609 -4.467 -10.084 1.00 0.00 H new ATOM 0 HB2 GLU C 45 1.440 -4.750 -8.867 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.608 -4.799 -10.409 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.065 -7.060 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU C 45 1.679 -6.857 -11.037 1.00 0.00 H new ATOM 1913 N GLU C 46 2.525 -3.411 -12.862 1.00 0.00 N ATOM 1914 CA GLU C 46 2.741 -3.446 -14.299 1.00 0.00 C ATOM 1915 C GLU C 46 4.212 -3.163 -14.607 1.00 0.00 C ATOM 1916 O GLU C 46 4.841 -3.889 -15.373 1.00 0.00 O ATOM 1917 CB GLU C 46 1.853 -2.368 -14.924 1.00 0.00 C ATOM 1918 CG GLU C 46 1.997 -2.319 -16.443 1.00 0.00 C ATOM 1919 CD GLU C 46 1.038 -1.299 -17.052 1.00 0.00 C ATOM 1920 OE1 GLU C 46 0.936 -0.187 -16.483 1.00 0.00 O ATOM 1921 OE2 GLU C 46 0.415 -1.642 -18.083 1.00 0.00 O ATOM 0 H GLU C 46 2.112 -2.538 -12.533 1.00 0.00 H new ATOM 0 HA GLU C 46 2.491 -4.426 -14.705 1.00 0.00 H new ATOM 0 HB2 GLU C 46 0.812 -2.560 -14.664 1.00 0.00 H new ATOM 0 HB3 GLU C 46 2.112 -1.396 -14.504 1.00 0.00 H new ATOM 0 HG2 GLU C 46 3.023 -2.061 -16.706 1.00 0.00 H new ATOM 0 HG3 GLU C 46 1.799 -3.305 -16.862 1.00 0.00 H new ATOM 1928 N ILE C 47 4.765 -2.104 -14.005 1.00 0.00 N ATOM 1929 CA ILE C 47 6.146 -1.695 -14.220 1.00 0.00 C ATOM 1930 C ILE C 47 7.089 -2.665 -13.512 1.00 0.00 C ATOM 1931 O ILE C 47 8.232 -2.842 -13.934 1.00 0.00 O ATOM 1932 CB ILE C 47 6.340 -0.261 -13.695 1.00 0.00 C ATOM 1933 CG1 ILE C 47 5.909 0.777 -14.736 1.00 0.00 C ATOM 1934 CG2 ILE C 47 7.808 0.033 -13.377 1.00 0.00 C ATOM 1935 CD1 ILE C 47 4.476 0.596 -15.228 1.00 0.00 C ATOM 0 H ILE C 47 4.258 -1.507 -13.352 1.00 0.00 H new ATOM 0 HA ILE C 47 6.375 -1.712 -15.286 1.00 0.00 H new ATOM 0 HB ILE C 47 5.729 -0.192 -12.795 1.00 0.00 H new ATOM 0 HG12 ILE C 47 6.013 1.773 -14.307 1.00 0.00 H new ATOM 0 HG13 ILE C 47 6.586 0.725 -15.589 1.00 0.00 H new ATOM 0 HG21 ILE C 47 7.903 1.055 -13.009 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.161 -0.661 -12.615 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.407 -0.085 -14.280 1.00 0.00 H new ATOM 0 HD11 ILE C 47 4.243 1.367 -15.962 1.00 0.00 H new ATOM 0 HD12 ILE C 47 4.371 -0.387 -15.688 1.00 0.00 H new ATOM 0 HD13 ILE C 47 3.789 0.678 -14.386 1.00 0.00 H new ATOM 1947 N TYR C 48 6.618 -3.299 -12.438 1.00 0.00 N ATOM 1948 CA TYR C 48 7.428 -4.224 -11.667 1.00 0.00 C ATOM 1949 C TYR C 48 7.901 -5.400 -12.524 1.00 0.00 C ATOM 1950 O TYR C 48 8.978 -5.946 -12.288 1.00 0.00 O ATOM 1951 CB TYR C 48 6.579 -4.712 -10.496 1.00 0.00 C ATOM 1952 CG TYR C 48 7.320 -5.611 -9.537 1.00 0.00 C ATOM 1953 CD1 TYR C 48 8.151 -5.052 -8.559 1.00 0.00 C ATOM 1954 CD2 TYR C 48 7.168 -7.002 -9.620 1.00 0.00 C ATOM 1955 CE1 TYR C 48 8.805 -5.876 -7.635 1.00 0.00 C ATOM 1956 CE2 TYR C 48 7.810 -7.831 -8.698 1.00 0.00 C ATOM 1957 CZ TYR C 48 8.634 -7.274 -7.697 1.00 0.00 C ATOM 1958 OH TYR C 48 9.257 -8.087 -6.802 1.00 0.00 O ATOM 0 H TYR C 48 5.668 -3.182 -12.085 1.00 0.00 H new ATOM 0 HA TYR C 48 8.325 -3.722 -11.306 1.00 0.00 H new ATOM 0 HB2 TYR C 48 6.200 -3.848 -9.950 1.00 0.00 H new ATOM 0 HB3 TYR C 48 5.713 -5.248 -10.886 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.288 -3.982 -8.517 1.00 0.00 H new ATOM 0 HD2 TYR C 48 6.554 -7.433 -10.397 1.00 0.00 H new ATOM 0 HE1 TYR C 48 9.439 -5.442 -6.876 1.00 0.00 H new ATOM 0 HE2 TYR C 48 7.676 -8.901 -8.751 1.00 0.00 H new ATOM 0 HH TYR C 48 9.026 -9.020 -6.992 1.00 0.00 H new