USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 607 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0867 (180deg=-0.0843) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 40:sc= -1.05 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HE2:sc= -3.31 K(o=-3.3,f=-4.7!) USER MOD Single : A 13 ASN : amide:sc= -2.65! C(o=-2.7!,f=-4.2!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 176:sc= 0 (180deg=-0.011) USER MOD Single : A 16 ASN : amide:sc= -5.3! C(o=-5.3!,f=-9.6!) USER MOD Single : A 20 TYR OH : rot 165:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1 K(o=-1,f=-2.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -0.0101 (180deg=-0.167) USER MOD Single : A 27 LYS NZ :NH3+ -141:sc= -0.258 (180deg=-1.3) USER MOD Single : A 32 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.93!) USER MOD Single : A 35 ASN : amide:sc= -0.0484 X(o=-0.048,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 6:sc= 0.991 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.927 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0449 F(o=-0.62,f=-0.045) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 67 ASN : amide:sc= -0.141 K(o=-0.14,f=-1) USER MOD Single : A 69 MET CE :methyl -149:sc= 0 (180deg=-0.769) USER MOD Single : A 70 ASN : amide:sc= -0.317 K(o=-0.32,f=-1.4) USER MOD Single : A 73 SER OG : rot -46:sc= 0.0888 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.515 0.781 -2.129 1.00 63.44 N ATOM 2 CA MET A 1 0.943 -0.118 -1.063 1.00 75.24 C ATOM 3 C MET A 1 2.060 -1.039 -1.544 1.00 33.12 C ATOM 4 O MET A 1 2.259 -1.216 -2.746 1.00 32.12 O ATOM 5 CB MET A 1 -0.240 -0.950 -0.564 1.00 14.13 C ATOM 6 CG MET A 1 -1.261 -0.143 0.223 1.00 72.45 C ATOM 7 SD MET A 1 -0.610 0.461 1.791 1.00 4.23 S ATOM 8 CE MET A 1 -1.068 2.190 1.704 1.00 1.53 C ATOM 0 H1 MET A 1 0.755 1.760 -1.874 1.00 63.44 H new ATOM 0 H2 MET A 1 0.998 0.525 -3.014 1.00 63.44 H new ATOM 0 H3 MET A 1 -0.513 0.699 -2.260 1.00 63.44 H new ATOM 0 HA MET A 1 1.325 0.488 -0.241 1.00 75.24 H new ATOM 0 HB2 MET A 1 -0.735 -1.412 -1.418 1.00 14.13 H new ATOM 0 HB3 MET A 1 0.134 -1.759 0.064 1.00 14.13 H new ATOM 0 HG2 MET A 1 -1.591 0.704 -0.379 1.00 72.45 H new ATOM 0 HG3 MET A 1 -2.139 -0.761 0.412 1.00 72.45 H new ATOM 0 HE1 MET A 1 -0.732 2.701 2.606 1.00 1.53 H new ATOM 0 HE2 MET A 1 -0.599 2.647 0.833 1.00 1.53 H new ATOM 0 HE3 MET A 1 -2.151 2.276 1.620 1.00 1.53 H new ATOM 18 N LYS A 2 2.787 -1.623 -0.597 1.00 73.35 N ATOM 19 CA LYS A 2 3.884 -2.527 -0.923 1.00 74.02 C ATOM 20 C LYS A 2 3.693 -3.881 -0.246 1.00 52.44 C ATOM 21 O LYS A 2 4.177 -4.105 0.863 1.00 1.32 O ATOM 22 CB LYS A 2 5.220 -1.915 -0.496 1.00 73.21 C ATOM 23 CG LYS A 2 5.222 -1.396 0.931 1.00 25.44 C ATOM 24 CD LYS A 2 4.946 0.097 0.983 1.00 63.14 C ATOM 25 CE LYS A 2 4.399 0.516 2.338 1.00 13.42 C ATOM 26 NZ LYS A 2 3.962 1.940 2.343 1.00 33.05 N ATOM 0 H LYS A 2 2.636 -1.486 0.402 1.00 73.35 H new ATOM 0 HA LYS A 2 3.889 -2.678 -2.002 1.00 74.02 H new ATOM 0 HB2 LYS A 2 6.004 -2.665 -0.602 1.00 73.21 H new ATOM 0 HB3 LYS A 2 5.468 -1.097 -1.172 1.00 73.21 H new ATOM 0 HG2 LYS A 2 4.468 -1.926 1.513 1.00 25.44 H new ATOM 0 HG3 LYS A 2 6.187 -1.605 1.393 1.00 25.44 H new ATOM 0 HD2 LYS A 2 5.865 0.645 0.775 1.00 63.14 H new ATOM 0 HD3 LYS A 2 4.232 0.363 0.203 1.00 63.14 H new ATOM 0 HE2 LYS A 2 3.557 -0.123 2.603 1.00 13.42 H new ATOM 0 HE3 LYS A 2 5.164 0.368 3.100 1.00 13.42 H new ATOM 0 HZ1 LYS A 2 3.595 2.187 3.284 1.00 33.05 H new ATOM 0 HZ2 LYS A 2 4.771 2.552 2.115 1.00 33.05 H new ATOM 0 HZ3 LYS A 2 3.214 2.076 1.633 1.00 33.05 H new ATOM 40 N PHE A 3 2.986 -4.780 -0.922 1.00 35.32 N ATOM 41 CA PHE A 3 2.731 -6.112 -0.385 1.00 64.34 C ATOM 42 C PHE A 3 2.668 -7.147 -1.505 1.00 42.35 C ATOM 43 O PHE A 3 1.920 -6.987 -2.470 1.00 73.32 O ATOM 44 CB PHE A 3 1.424 -6.124 0.410 1.00 61.34 C ATOM 45 CG PHE A 3 1.270 -7.330 1.292 1.00 3.22 C ATOM 46 CD1 PHE A 3 2.011 -7.451 2.457 1.00 60.32 C ATOM 47 CD2 PHE A 3 0.385 -8.342 0.957 1.00 43.11 C ATOM 48 CE1 PHE A 3 1.872 -8.559 3.272 1.00 74.15 C ATOM 49 CE2 PHE A 3 0.241 -9.452 1.768 1.00 44.31 C ATOM 50 CZ PHE A 3 0.986 -9.561 2.926 1.00 63.11 C ATOM 0 H PHE A 3 2.580 -4.611 -1.842 1.00 35.32 H new ATOM 0 HA PHE A 3 3.554 -6.372 0.280 1.00 64.34 H new ATOM 0 HB2 PHE A 3 1.374 -5.225 1.025 1.00 61.34 H new ATOM 0 HB3 PHE A 3 0.585 -6.082 -0.285 1.00 61.34 H new ATOM 0 HD1 PHE A 3 2.705 -6.670 2.731 1.00 60.32 H new ATOM 0 HD2 PHE A 3 -0.199 -8.263 0.052 1.00 43.11 H new ATOM 0 HE1 PHE A 3 2.455 -8.641 4.177 1.00 74.15 H new ATOM 0 HE2 PHE A 3 -0.453 -10.233 1.496 1.00 44.31 H new ATOM 0 HZ PHE A 3 0.876 -10.428 3.560 1.00 63.11 H new ATOM 60 N ILE A 4 3.459 -8.206 -1.370 1.00 1.31 N ATOM 61 CA ILE A 4 3.493 -9.266 -2.369 1.00 71.24 C ATOM 62 C ILE A 4 3.486 -10.642 -1.712 1.00 12.14 C ATOM 63 O ILE A 4 3.914 -10.798 -0.568 1.00 0.02 O ATOM 64 CB ILE A 4 4.734 -9.148 -3.273 1.00 61.35 C ATOM 65 CG1 ILE A 4 4.889 -7.713 -3.780 1.00 55.21 C ATOM 66 CG2 ILE A 4 4.634 -10.120 -4.440 1.00 53.42 C ATOM 67 CD1 ILE A 4 3.763 -7.268 -4.688 1.00 64.22 C ATOM 0 H ILE A 4 4.085 -8.352 -0.578 1.00 1.31 H new ATOM 0 HA ILE A 4 2.597 -9.153 -2.979 1.00 71.24 H new ATOM 0 HB ILE A 4 5.617 -9.403 -2.687 1.00 61.35 H new ATOM 0 HG12 ILE A 4 4.944 -7.038 -2.926 1.00 55.21 H new ATOM 0 HG13 ILE A 4 5.834 -7.626 -4.317 1.00 55.21 H new ATOM 0 HG21 ILE A 4 5.519 -10.025 -5.070 1.00 53.42 H new ATOM 0 HG22 ILE A 4 4.567 -11.139 -4.060 1.00 53.42 H new ATOM 0 HG23 ILE A 4 3.744 -9.893 -5.027 1.00 53.42 H new ATOM 0 HD11 ILE A 4 3.939 -6.241 -5.009 1.00 64.22 H new ATOM 0 HD12 ILE A 4 3.721 -7.919 -5.561 1.00 64.22 H new ATOM 0 HD13 ILE A 4 2.817 -7.323 -4.149 1.00 64.22 H new ATOM 79 N LYS A 5 2.998 -11.639 -2.443 1.00 1.55 N ATOM 80 CA LYS A 5 2.937 -13.003 -1.933 1.00 25.31 C ATOM 81 C LYS A 5 4.328 -13.628 -1.884 1.00 21.11 C ATOM 82 O LYS A 5 5.287 -13.075 -2.422 1.00 41.45 O ATOM 83 CB LYS A 5 2.014 -13.855 -2.807 1.00 24.41 C ATOM 84 CG LYS A 5 2.646 -14.285 -4.120 1.00 31.33 C ATOM 85 CD LYS A 5 1.600 -14.768 -5.110 1.00 74.21 C ATOM 86 CE LYS A 5 1.969 -14.396 -6.538 1.00 3.44 C ATOM 87 NZ LYS A 5 1.447 -15.384 -7.522 1.00 1.42 N ATOM 0 H LYS A 5 2.639 -11.527 -3.391 1.00 1.55 H new ATOM 0 HA LYS A 5 2.538 -12.968 -0.919 1.00 25.31 H new ATOM 0 HB2 LYS A 5 1.716 -14.743 -2.249 1.00 24.41 H new ATOM 0 HB3 LYS A 5 1.105 -13.291 -3.018 1.00 24.41 H new ATOM 0 HG2 LYS A 5 3.197 -13.449 -4.551 1.00 31.33 H new ATOM 0 HG3 LYS A 5 3.367 -15.081 -3.934 1.00 31.33 H new ATOM 0 HD2 LYS A 5 1.495 -15.850 -5.031 1.00 74.21 H new ATOM 0 HD3 LYS A 5 0.632 -14.334 -4.859 1.00 74.21 H new ATOM 0 HE2 LYS A 5 1.571 -13.408 -6.770 1.00 3.44 H new ATOM 0 HE3 LYS A 5 3.053 -14.332 -6.628 1.00 3.44 H new ATOM 0 HZ1 LYS A 5 1.720 -15.094 -8.483 1.00 1.42 H new ATOM 0 HZ2 LYS A 5 1.846 -16.322 -7.317 1.00 1.42 H new ATOM 0 HZ3 LYS A 5 0.410 -15.426 -7.455 1.00 1.42 H new ATOM 101 N TYR A 6 4.430 -14.784 -1.237 1.00 11.42 N ATOM 102 CA TYR A 6 5.704 -15.483 -1.117 1.00 53.11 C ATOM 103 C TYR A 6 6.087 -16.147 -2.436 1.00 75.21 C ATOM 104 O TYR A 6 5.223 -16.515 -3.234 1.00 12.33 O ATOM 105 CB TYR A 6 5.631 -16.533 -0.007 1.00 11.41 C ATOM 106 CG TYR A 6 5.300 -15.956 1.351 1.00 1.30 C ATOM 107 CD1 TYR A 6 6.051 -14.917 1.888 1.00 52.34 C ATOM 108 CD2 TYR A 6 4.238 -16.450 2.098 1.00 50.11 C ATOM 109 CE1 TYR A 6 5.753 -14.387 3.128 1.00 11.22 C ATOM 110 CE2 TYR A 6 3.932 -15.925 3.339 1.00 71.25 C ATOM 111 CZ TYR A 6 4.692 -14.894 3.849 1.00 23.05 C ATOM 112 OH TYR A 6 4.391 -14.370 5.086 1.00 45.44 O ATOM 0 H TYR A 6 3.646 -15.257 -0.788 1.00 11.42 H new ATOM 0 HA TYR A 6 6.470 -14.749 -0.864 1.00 53.11 H new ATOM 0 HB2 TYR A 6 4.878 -17.276 -0.270 1.00 11.41 H new ATOM 0 HB3 TYR A 6 6.586 -17.054 0.052 1.00 11.41 H new ATOM 0 HD1 TYR A 6 6.882 -14.517 1.326 1.00 52.34 H new ATOM 0 HD2 TYR A 6 3.641 -17.258 1.702 1.00 50.11 H new ATOM 0 HE1 TYR A 6 6.347 -13.580 3.531 1.00 11.22 H new ATOM 0 HE2 TYR A 6 3.102 -16.320 3.906 1.00 71.25 H new ATOM 0 HH TYR A 6 3.615 -14.838 5.460 1.00 45.44 H new ATOM 122 N LEU A 7 7.387 -16.299 -2.659 1.00 3.32 N ATOM 123 CA LEU A 7 7.887 -16.920 -3.881 1.00 2.44 C ATOM 124 C LEU A 7 8.468 -18.300 -3.592 1.00 21.04 C ATOM 125 O LEU A 7 9.610 -18.591 -3.948 1.00 0.14 O ATOM 126 CB LEU A 7 8.951 -16.032 -4.529 1.00 53.31 C ATOM 127 CG LEU A 7 8.709 -14.524 -4.446 1.00 35.24 C ATOM 128 CD1 LEU A 7 9.888 -13.761 -5.028 1.00 20.01 C ATOM 129 CD2 LEU A 7 7.421 -14.150 -5.165 1.00 61.25 C ATOM 0 H LEU A 7 8.115 -16.001 -2.010 1.00 3.32 H new ATOM 0 HA LEU A 7 7.050 -17.035 -4.569 1.00 2.44 H new ATOM 0 HB2 LEU A 7 9.912 -16.252 -4.063 1.00 53.31 H new ATOM 0 HB3 LEU A 7 9.036 -16.309 -5.580 1.00 53.31 H new ATOM 0 HG LEU A 7 8.608 -14.249 -3.396 1.00 35.24 H new ATOM 0 HD11 LEU A 7 9.697 -12.690 -4.960 1.00 20.01 H new ATOM 0 HD12 LEU A 7 10.791 -14.005 -4.469 1.00 20.01 H new ATOM 0 HD13 LEU A 7 10.022 -14.040 -6.073 1.00 20.01 H new ATOM 0 HD21 LEU A 7 7.265 -13.073 -5.096 1.00 61.25 H new ATOM 0 HD22 LEU A 7 7.492 -14.440 -6.213 1.00 61.25 H new ATOM 0 HD23 LEU A 7 6.582 -14.669 -4.702 1.00 61.25 H new ATOM 141 N SER A 8 7.673 -19.148 -2.946 1.00 4.51 N ATOM 142 CA SER A 8 8.109 -20.497 -2.608 1.00 22.33 C ATOM 143 C SER A 8 7.031 -21.235 -1.819 1.00 3.52 C ATOM 144 O SER A 8 5.958 -20.692 -1.554 1.00 10.04 O ATOM 145 CB SER A 8 9.407 -20.449 -1.798 1.00 74.43 C ATOM 146 OG SER A 8 10.401 -21.275 -2.380 1.00 2.53 O ATOM 0 H SER A 8 6.724 -18.924 -2.647 1.00 4.51 H new ATOM 0 HA SER A 8 8.289 -21.037 -3.537 1.00 22.33 H new ATOM 0 HB2 SER A 8 9.768 -19.422 -1.744 1.00 74.43 H new ATOM 0 HB3 SER A 8 9.214 -20.773 -0.775 1.00 74.43 H new ATOM 0 HG SER A 8 10.368 -21.189 -3.356 1.00 2.53 H new ATOM 152 N THR A 9 7.325 -22.476 -1.446 1.00 33.42 N ATOM 153 CA THR A 9 6.382 -23.290 -0.689 1.00 0.04 C ATOM 154 C THR A 9 6.762 -23.342 0.787 1.00 53.42 C ATOM 155 O THR A 9 7.938 -23.456 1.131 1.00 14.32 O ATOM 156 CB THR A 9 6.311 -24.727 -1.239 1.00 41.23 C ATOM 157 OG1 THR A 9 6.693 -24.742 -2.619 1.00 41.13 O ATOM 158 CG2 THR A 9 4.908 -25.295 -1.090 1.00 52.11 C ATOM 0 H THR A 9 8.209 -22.940 -1.656 1.00 33.42 H new ATOM 0 HA THR A 9 5.404 -22.820 -0.794 1.00 0.04 H new ATOM 0 HB THR A 9 6.999 -25.347 -0.665 1.00 41.23 H new ATOM 0 HG1 THR A 9 6.647 -25.659 -2.961 1.00 41.13 H new ATOM 0 HG21 THR A 9 4.883 -26.310 -1.485 1.00 52.11 H new ATOM 0 HG22 THR A 9 4.631 -25.309 -0.036 1.00 52.11 H new ATOM 0 HG23 THR A 9 4.203 -24.673 -1.642 1.00 52.11 H new ATOM 166 N ALA A 10 5.759 -23.258 1.654 1.00 15.45 N ATOM 167 CA ALA A 10 5.988 -23.298 3.093 1.00 13.44 C ATOM 168 C ALA A 10 5.681 -24.680 3.660 1.00 40.21 C ATOM 169 O ALA A 10 4.666 -24.876 4.329 1.00 22.33 O ATOM 170 CB ALA A 10 5.145 -22.240 3.792 1.00 64.14 C ATOM 0 H ALA A 10 4.780 -23.162 1.385 1.00 15.45 H new ATOM 0 HA ALA A 10 7.042 -23.085 3.274 1.00 13.44 H new ATOM 0 HB1 ALA A 10 5.326 -22.282 4.866 1.00 64.14 H new ATOM 0 HB2 ALA A 10 5.415 -21.253 3.416 1.00 64.14 H new ATOM 0 HB3 ALA A 10 4.089 -22.427 3.595 1.00 64.14 H new ATOM 176 N HIS A 11 6.564 -25.635 3.387 1.00 72.41 N ATOM 177 CA HIS A 11 6.387 -27.000 3.870 1.00 72.32 C ATOM 178 C HIS A 11 7.574 -27.432 4.725 1.00 20.22 C ATOM 179 O HIS A 11 7.424 -28.217 5.663 1.00 43.21 O ATOM 180 CB HIS A 11 6.214 -27.962 2.693 1.00 3.44 C ATOM 181 CG HIS A 11 7.496 -28.278 1.986 1.00 52.04 C ATOM 182 ND1 HIS A 11 8.414 -29.189 2.463 1.00 4.33 N ATOM 183 CD2 HIS A 11 8.009 -27.800 0.828 1.00 70.11 C ATOM 184 CE1 HIS A 11 9.438 -29.256 1.631 1.00 60.01 C ATOM 185 NE2 HIS A 11 9.216 -28.423 0.630 1.00 64.42 N ATOM 0 H HIS A 11 7.409 -25.489 2.834 1.00 72.41 H new ATOM 0 HA HIS A 11 5.489 -27.027 4.487 1.00 72.32 H new ATOM 0 HB2 HIS A 11 5.770 -28.889 3.054 1.00 3.44 H new ATOM 0 HB3 HIS A 11 5.512 -27.529 1.980 1.00 3.44 H new ATOM 0 HD1 HIS A 11 8.318 -29.727 3.324 1.00 4.33 H new ATOM 0 HD2 HIS A 11 7.553 -27.065 0.181 1.00 70.11 H new ATOM 0 HE1 HIS A 11 10.308 -29.885 1.749 1.00 60.01 H new ATOM 193 N LEU A 12 8.753 -26.916 4.396 1.00 70.22 N ATOM 194 CA LEU A 12 9.967 -27.249 5.133 1.00 12.14 C ATOM 195 C LEU A 12 10.624 -25.993 5.696 1.00 41.55 C ATOM 196 O LEU A 12 11.148 -25.167 4.949 1.00 62.33 O ATOM 197 CB LEU A 12 10.951 -27.991 4.227 1.00 34.12 C ATOM 198 CG LEU A 12 12.347 -28.228 4.804 1.00 51.22 C ATOM 199 CD1 LEU A 12 12.872 -29.593 4.388 1.00 33.32 C ATOM 200 CD2 LEU A 12 13.301 -27.129 4.358 1.00 21.41 C ATOM 0 H LEU A 12 8.894 -26.265 3.623 1.00 70.22 H new ATOM 0 HA LEU A 12 9.691 -27.896 5.965 1.00 12.14 H new ATOM 0 HB2 LEU A 12 10.518 -28.957 3.968 1.00 34.12 H new ATOM 0 HB3 LEU A 12 11.054 -27.429 3.299 1.00 34.12 H new ATOM 0 HG LEU A 12 12.279 -28.204 5.892 1.00 51.22 H new ATOM 0 HD11 LEU A 12 13.866 -29.744 4.808 1.00 33.32 H new ATOM 0 HD12 LEU A 12 12.201 -30.369 4.757 1.00 33.32 H new ATOM 0 HD13 LEU A 12 12.925 -29.646 3.301 1.00 33.32 H new ATOM 0 HD21 LEU A 12 14.290 -27.313 4.778 1.00 21.41 H new ATOM 0 HD22 LEU A 12 13.364 -27.122 3.270 1.00 21.41 H new ATOM 0 HD23 LEU A 12 12.933 -26.164 4.707 1.00 21.41 H new ATOM 212 N ASN A 13 10.594 -25.856 7.017 1.00 12.32 N ATOM 213 CA ASN A 13 11.188 -24.701 7.680 1.00 42.41 C ATOM 214 C ASN A 13 10.490 -23.412 7.257 1.00 12.21 C ATOM 215 O ASN A 13 11.054 -22.323 7.366 1.00 44.05 O ATOM 216 CB ASN A 13 12.681 -24.614 7.358 1.00 64.04 C ATOM 217 CG ASN A 13 13.489 -24.041 8.506 1.00 34.04 C ATOM 218 OD1 ASN A 13 12.935 -23.461 9.440 1.00 14.04 O ATOM 219 ND2 ASN A 13 14.805 -24.201 8.442 1.00 23.41 N ATOM 0 H ASN A 13 10.165 -26.531 7.650 1.00 12.32 H new ATOM 0 HA ASN A 13 11.061 -24.826 8.755 1.00 42.41 H new ATOM 0 HB2 ASN A 13 13.056 -25.608 7.115 1.00 64.04 H new ATOM 0 HB3 ASN A 13 12.823 -23.994 6.473 1.00 64.04 H new ATOM 0 HD21 ASN A 13 15.400 -23.836 9.186 1.00 23.41 H new ATOM 0 HD22 ASN A 13 15.221 -24.689 7.649 1.00 23.41 H new ATOM 226 N TYR A 14 9.259 -23.543 6.776 1.00 72.23 N ATOM 227 CA TYR A 14 8.483 -22.390 6.335 1.00 43.12 C ATOM 228 C TYR A 14 9.283 -21.538 5.354 1.00 64.32 C ATOM 229 O TYR A 14 9.191 -20.311 5.361 1.00 32.23 O ATOM 230 CB TYR A 14 8.062 -21.543 7.537 1.00 55.24 C ATOM 231 CG TYR A 14 6.833 -20.699 7.281 1.00 31.25 C ATOM 232 CD1 TYR A 14 5.599 -21.290 7.039 1.00 71.04 C ATOM 233 CD2 TYR A 14 6.906 -19.312 7.282 1.00 0.24 C ATOM 234 CE1 TYR A 14 4.474 -20.523 6.804 1.00 33.53 C ATOM 235 CE2 TYR A 14 5.786 -18.537 7.051 1.00 71.44 C ATOM 236 CZ TYR A 14 4.572 -19.148 6.812 1.00 42.31 C ATOM 237 OH TYR A 14 3.454 -18.380 6.579 1.00 3.21 O ATOM 0 H TYR A 14 8.777 -24.437 6.681 1.00 72.23 H new ATOM 0 HA TYR A 14 7.591 -22.757 5.827 1.00 43.12 H new ATOM 0 HB2 TYR A 14 7.871 -22.200 8.385 1.00 55.24 H new ATOM 0 HB3 TYR A 14 8.889 -20.891 7.819 1.00 55.24 H new ATOM 0 HD1 TYR A 14 5.518 -22.367 7.035 1.00 71.04 H new ATOM 0 HD2 TYR A 14 7.855 -18.831 7.467 1.00 0.24 H new ATOM 0 HE1 TYR A 14 3.523 -20.998 6.615 1.00 33.53 H new ATOM 0 HE2 TYR A 14 5.860 -17.460 7.057 1.00 71.44 H new ATOM 0 HH TYR A 14 3.695 -17.431 6.621 1.00 3.21 H new ATOM 247 N MET A 15 10.069 -22.200 4.510 1.00 55.21 N ATOM 248 CA MET A 15 10.884 -21.505 3.521 1.00 50.52 C ATOM 249 C MET A 15 10.008 -20.720 2.549 1.00 4.30 C ATOM 250 O MET A 15 9.130 -21.283 1.897 1.00 3.30 O ATOM 251 CB MET A 15 11.752 -22.502 2.752 1.00 70.33 C ATOM 252 CG MET A 15 13.154 -21.992 2.463 1.00 4.22 C ATOM 253 SD MET A 15 14.214 -23.251 1.726 1.00 11.12 S ATOM 254 CE MET A 15 14.923 -23.997 3.192 1.00 73.30 C ATOM 0 H MET A 15 10.158 -23.216 4.492 1.00 55.21 H new ATOM 0 HA MET A 15 11.530 -20.803 4.048 1.00 50.52 H new ATOM 0 HB2 MET A 15 11.822 -23.427 3.324 1.00 70.33 H new ATOM 0 HB3 MET A 15 11.262 -22.746 1.810 1.00 70.33 H new ATOM 0 HG2 MET A 15 13.093 -21.135 1.792 1.00 4.22 H new ATOM 0 HG3 MET A 15 13.606 -21.639 3.390 1.00 4.22 H new ATOM 0 HE1 MET A 15 15.548 -24.842 2.904 1.00 73.30 H new ATOM 0 HE2 MET A 15 15.529 -23.260 3.719 1.00 73.30 H new ATOM 0 HE3 MET A 15 14.124 -24.344 3.847 1.00 73.30 H new ATOM 264 N ASN A 16 10.254 -19.417 2.458 1.00 0.41 N ATOM 265 CA ASN A 16 9.487 -18.555 1.566 1.00 12.33 C ATOM 266 C ASN A 16 10.212 -17.234 1.329 1.00 3.45 C ATOM 267 O ASN A 16 11.088 -16.847 2.104 1.00 22.50 O ATOM 268 CB ASN A 16 8.098 -18.289 2.150 1.00 33.01 C ATOM 269 CG ASN A 16 7.073 -19.307 1.689 1.00 34.24 C ATOM 270 OD1 ASN A 16 7.255 -19.969 0.667 1.00 34.04 O ATOM 271 ND2 ASN A 16 5.987 -19.437 2.444 1.00 43.34 N ATOM 0 H ASN A 16 10.978 -18.935 2.991 1.00 0.41 H new ATOM 0 HA ASN A 16 9.380 -19.067 0.610 1.00 12.33 H new ATOM 0 HB2 ASN A 16 8.156 -18.303 3.238 1.00 33.01 H new ATOM 0 HB3 ASN A 16 7.770 -17.291 1.861 1.00 33.01 H new ATOM 0 HD21 ASN A 16 5.263 -20.107 2.184 1.00 43.34 H new ATOM 0 HD22 ASN A 16 5.878 -18.867 3.283 1.00 43.34 H new ATOM 278 N ILE A 17 9.841 -16.546 0.255 1.00 2.51 N ATOM 279 CA ILE A 17 10.455 -15.267 -0.082 1.00 61.35 C ATOM 280 C ILE A 17 9.407 -14.165 -0.190 1.00 73.32 C ATOM 281 O ILE A 17 8.591 -14.159 -1.111 1.00 51.44 O ATOM 282 CB ILE A 17 11.235 -15.350 -1.408 1.00 52.11 C ATOM 283 CG1 ILE A 17 12.448 -16.269 -1.255 1.00 22.41 C ATOM 284 CG2 ILE A 17 11.668 -13.962 -1.855 1.00 3.21 C ATOM 285 CD1 ILE A 17 12.892 -16.906 -2.553 1.00 74.04 C ATOM 0 H ILE A 17 9.119 -16.852 -0.397 1.00 2.51 H new ATOM 0 HA ILE A 17 11.148 -15.027 0.724 1.00 61.35 H new ATOM 0 HB ILE A 17 10.580 -15.769 -2.172 1.00 52.11 H new ATOM 0 HG12 ILE A 17 13.277 -15.697 -0.839 1.00 22.41 H new ATOM 0 HG13 ILE A 17 12.210 -17.054 -0.537 1.00 22.41 H new ATOM 0 HG21 ILE A 17 12.218 -14.037 -2.793 1.00 3.21 H new ATOM 0 HG22 ILE A 17 10.788 -13.335 -1.999 1.00 3.21 H new ATOM 0 HG23 ILE A 17 12.309 -13.518 -1.093 1.00 3.21 H new ATOM 0 HD11 ILE A 17 13.756 -17.544 -2.368 1.00 74.04 H new ATOM 0 HD12 ILE A 17 12.079 -17.506 -2.961 1.00 74.04 H new ATOM 0 HD13 ILE A 17 13.162 -16.128 -3.267 1.00 74.04 H new ATOM 297 N ALA A 18 9.436 -13.234 0.757 1.00 0.41 N ATOM 298 CA ALA A 18 8.491 -12.124 0.767 1.00 51.02 C ATOM 299 C ALA A 18 8.980 -10.979 -0.114 1.00 14.24 C ATOM 300 O ALA A 18 10.112 -10.515 0.025 1.00 34.22 O ATOM 301 CB ALA A 18 8.263 -11.638 2.190 1.00 14.53 C ATOM 0 H ALA A 18 10.104 -13.226 1.528 1.00 0.41 H new ATOM 0 HA ALA A 18 7.544 -12.481 0.361 1.00 51.02 H new ATOM 0 HB1 ALA A 18 7.555 -10.809 2.182 1.00 14.53 H new ATOM 0 HB2 ALA A 18 7.861 -12.453 2.793 1.00 14.53 H new ATOM 0 HB3 ALA A 18 9.209 -11.304 2.616 1.00 14.53 H new ATOM 307 N VAL A 19 8.119 -10.527 -1.021 1.00 3.04 N ATOM 308 CA VAL A 19 8.464 -9.435 -1.924 1.00 34.42 C ATOM 309 C VAL A 19 7.609 -8.203 -1.648 1.00 24.35 C ATOM 310 O VAL A 19 6.587 -8.284 -0.966 1.00 40.11 O ATOM 311 CB VAL A 19 8.287 -9.849 -3.397 1.00 21.10 C ATOM 312 CG1 VAL A 19 9.310 -9.146 -4.276 1.00 3.35 C ATOM 313 CG2 VAL A 19 8.396 -11.359 -3.543 1.00 33.45 C ATOM 0 H VAL A 19 7.178 -10.900 -1.150 1.00 3.04 H new ATOM 0 HA VAL A 19 9.512 -9.194 -1.745 1.00 34.42 H new ATOM 0 HB VAL A 19 7.292 -9.546 -3.724 1.00 21.10 H new ATOM 0 HG11 VAL A 19 9.169 -9.451 -5.313 1.00 3.35 H new ATOM 0 HG12 VAL A 19 9.180 -8.067 -4.194 1.00 3.35 H new ATOM 0 HG13 VAL A 19 10.315 -9.416 -3.952 1.00 3.35 H new ATOM 0 HG21 VAL A 19 8.268 -11.633 -4.590 1.00 33.45 H new ATOM 0 HG22 VAL A 19 9.376 -11.688 -3.198 1.00 33.45 H new ATOM 0 HG23 VAL A 19 7.621 -11.839 -2.945 1.00 33.45 H new ATOM 323 N TYR A 20 8.035 -7.064 -2.181 1.00 52.31 N ATOM 324 CA TYR A 20 7.310 -5.813 -1.991 1.00 31.04 C ATOM 325 C TYR A 20 7.451 -4.910 -3.212 1.00 73.24 C ATOM 326 O TYR A 20 8.552 -4.703 -3.721 1.00 21.44 O ATOM 327 CB TYR A 20 7.821 -5.088 -0.745 1.00 2.51 C ATOM 328 CG TYR A 20 7.978 -5.989 0.459 1.00 12.41 C ATOM 329 CD1 TYR A 20 6.873 -6.383 1.204 1.00 23.41 C ATOM 330 CD2 TYR A 20 9.230 -6.444 0.852 1.00 30.44 C ATOM 331 CE1 TYR A 20 7.011 -7.206 2.305 1.00 25.13 C ATOM 332 CE2 TYR A 20 9.377 -7.268 1.951 1.00 24.43 C ATOM 333 CZ TYR A 20 8.265 -7.646 2.675 1.00 64.34 C ATOM 334 OH TYR A 20 8.408 -8.466 3.771 1.00 43.13 O ATOM 0 H TYR A 20 8.879 -6.981 -2.748 1.00 52.31 H new ATOM 0 HA TYR A 20 6.255 -6.051 -1.858 1.00 31.04 H new ATOM 0 HB2 TYR A 20 8.783 -4.628 -0.972 1.00 2.51 H new ATOM 0 HB3 TYR A 20 7.132 -4.281 -0.497 1.00 2.51 H new ATOM 0 HD1 TYR A 20 5.890 -6.040 0.917 1.00 23.41 H new ATOM 0 HD2 TYR A 20 10.103 -6.149 0.289 1.00 30.44 H new ATOM 0 HE1 TYR A 20 6.142 -7.503 2.873 1.00 25.13 H new ATOM 0 HE2 TYR A 20 10.358 -7.615 2.242 1.00 24.43 H new ATOM 0 HH TYR A 20 9.298 -8.877 3.759 1.00 43.13 H new ATOM 344 N GLU A 21 6.326 -4.375 -3.677 1.00 61.15 N ATOM 345 CA GLU A 21 6.324 -3.494 -4.840 1.00 34.44 C ATOM 346 C GLU A 21 6.092 -2.045 -4.423 1.00 44.31 C ATOM 347 O GLU A 21 5.454 -1.774 -3.407 1.00 20.21 O ATOM 348 CB GLU A 21 5.245 -3.929 -5.834 1.00 41.03 C ATOM 349 CG GLU A 21 5.481 -3.422 -7.247 1.00 75.22 C ATOM 350 CD GLU A 21 4.484 -3.985 -8.242 1.00 44.14 C ATOM 351 OE1 GLU A 21 3.989 -5.109 -8.014 1.00 40.51 O ATOM 352 OE2 GLU A 21 4.200 -3.303 -9.249 1.00 4.31 O ATOM 0 H GLU A 21 5.406 -4.536 -3.267 1.00 61.15 H new ATOM 0 HA GLU A 21 7.300 -3.564 -5.320 1.00 34.44 H new ATOM 0 HB2 GLU A 21 5.196 -5.018 -5.851 1.00 41.03 H new ATOM 0 HB3 GLU A 21 4.276 -3.571 -5.486 1.00 41.03 H new ATOM 0 HG2 GLU A 21 5.420 -2.334 -7.254 1.00 75.22 H new ATOM 0 HG3 GLU A 21 6.491 -3.687 -7.560 1.00 75.22 H new ATOM 359 N ASN A 22 6.617 -1.116 -5.216 1.00 63.43 N ATOM 360 CA ASN A 22 6.470 0.306 -4.930 1.00 54.01 C ATOM 361 C ASN A 22 5.477 0.954 -5.891 1.00 1.03 C ATOM 362 O ASN A 22 5.345 0.535 -7.040 1.00 30.44 O ATOM 363 CB ASN A 22 7.824 1.010 -5.027 1.00 44.41 C ATOM 364 CG ASN A 22 7.717 2.505 -4.796 1.00 13.23 C ATOM 365 OD1 ASN A 22 6.914 2.962 -3.982 1.00 3.44 O ATOM 366 ND2 ASN A 22 8.527 3.275 -5.513 1.00 70.33 N ATOM 0 H ASN A 22 7.148 -1.323 -6.062 1.00 63.43 H new ATOM 0 HA ASN A 22 6.087 0.409 -3.915 1.00 54.01 H new ATOM 0 HB2 ASN A 22 8.507 0.580 -4.294 1.00 44.41 H new ATOM 0 HB3 ASN A 22 8.256 0.827 -6.011 1.00 44.41 H new ATOM 0 HD21 ASN A 22 8.499 4.288 -5.400 1.00 70.33 H new ATOM 0 HD22 ASN A 22 9.177 2.853 -6.176 1.00 70.33 H new ATOM 373 N GLY A 23 4.781 1.980 -5.411 1.00 2.42 N ATOM 374 CA GLY A 23 3.810 2.670 -6.240 1.00 1.44 C ATOM 375 C GLY A 23 4.444 3.333 -7.447 1.00 22.44 C ATOM 376 O GLY A 23 4.004 3.128 -8.578 1.00 1.41 O ATOM 0 H GLY A 23 4.872 2.346 -4.463 1.00 2.42 H new ATOM 0 HA2 GLY A 23 3.053 1.960 -6.575 1.00 1.44 H new ATOM 0 HA3 GLY A 23 3.298 3.424 -5.643 1.00 1.44 H new ATOM 380 N SER A 24 5.480 4.130 -7.206 1.00 63.22 N ATOM 381 CA SER A 24 6.173 4.829 -8.282 1.00 72.03 C ATOM 382 C SER A 24 6.694 3.843 -9.324 1.00 1.15 C ATOM 383 O SER A 24 6.138 3.723 -10.416 1.00 3.04 O ATOM 384 CB SER A 24 7.332 5.654 -7.720 1.00 14.50 C ATOM 385 OG SER A 24 6.861 6.662 -6.842 1.00 12.22 O ATOM 0 H SER A 24 5.858 4.308 -6.275 1.00 63.22 H new ATOM 0 HA SER A 24 5.461 5.498 -8.764 1.00 72.03 H new ATOM 0 HB2 SER A 24 8.025 5.000 -7.190 1.00 14.50 H new ATOM 0 HB3 SER A 24 7.888 6.111 -8.539 1.00 14.50 H new ATOM 0 HG SER A 24 7.621 7.174 -6.495 1.00 12.22 H new ATOM 391 N LYS A 25 7.766 3.139 -8.977 1.00 62.34 N ATOM 392 CA LYS A 25 8.364 2.162 -9.879 1.00 62.53 C ATOM 393 C LYS A 25 8.278 0.756 -9.293 1.00 64.01 C ATOM 394 O LYS A 25 7.703 0.554 -8.223 1.00 72.24 O ATOM 395 CB LYS A 25 9.825 2.521 -10.158 1.00 4.14 C ATOM 396 CG LYS A 25 9.999 3.846 -10.880 1.00 32.00 C ATOM 397 CD LYS A 25 11.006 3.736 -12.012 1.00 50.04 C ATOM 398 CE LYS A 25 11.411 5.106 -12.534 1.00 15.54 C ATOM 399 NZ LYS A 25 12.269 5.839 -11.561 1.00 75.43 N ATOM 0 H LYS A 25 8.239 3.227 -8.077 1.00 62.34 H new ATOM 0 HA LYS A 25 7.807 2.181 -10.816 1.00 62.53 H new ATOM 0 HB2 LYS A 25 10.368 2.557 -9.214 1.00 4.14 H new ATOM 0 HB3 LYS A 25 10.277 1.729 -10.755 1.00 4.14 H new ATOM 0 HG2 LYS A 25 9.038 4.174 -11.277 1.00 32.00 H new ATOM 0 HG3 LYS A 25 10.328 4.607 -10.172 1.00 32.00 H new ATOM 0 HD2 LYS A 25 11.890 3.203 -11.663 1.00 50.04 H new ATOM 0 HD3 LYS A 25 10.579 3.148 -12.824 1.00 50.04 H new ATOM 0 HE2 LYS A 25 11.947 4.992 -13.476 1.00 15.54 H new ATOM 0 HE3 LYS A 25 10.517 5.693 -12.744 1.00 15.54 H new ATOM 0 HZ1 LYS A 25 12.729 6.640 -12.039 1.00 75.43 H new ATOM 0 HZ2 LYS A 25 11.682 6.193 -10.778 1.00 75.43 H new ATOM 0 HZ3 LYS A 25 12.996 5.196 -11.186 1.00 75.43 H new ATOM 413 N ILE A 26 8.855 -0.211 -9.999 1.00 10.20 N ATOM 414 CA ILE A 26 8.845 -1.596 -9.546 1.00 62.33 C ATOM 415 C ILE A 26 9.995 -1.868 -8.582 1.00 13.53 C ATOM 416 O ILE A 26 11.110 -1.382 -8.774 1.00 73.34 O ATOM 417 CB ILE A 26 8.942 -2.576 -10.731 1.00 32.14 C ATOM 418 CG1 ILE A 26 7.764 -2.373 -11.686 1.00 60.20 C ATOM 419 CG2 ILE A 26 8.982 -4.012 -10.228 1.00 41.34 C ATOM 420 CD1 ILE A 26 6.436 -2.813 -11.110 1.00 41.12 C ATOM 0 H ILE A 26 9.335 -0.061 -10.886 1.00 10.20 H new ATOM 0 HA ILE A 26 7.897 -1.752 -9.031 1.00 62.33 H new ATOM 0 HB ILE A 26 9.865 -2.376 -11.275 1.00 32.14 H new ATOM 0 HG12 ILE A 26 7.703 -1.319 -11.955 1.00 60.20 H new ATOM 0 HG13 ILE A 26 7.953 -2.926 -12.606 1.00 60.20 H new ATOM 0 HG21 ILE A 26 9.051 -4.693 -11.076 1.00 41.34 H new ATOM 0 HG22 ILE A 26 9.850 -4.148 -9.583 1.00 41.34 H new ATOM 0 HG23 ILE A 26 8.074 -4.225 -9.664 1.00 41.34 H new ATOM 0 HD11 ILE A 26 5.647 -2.640 -11.842 1.00 41.12 H new ATOM 0 HD12 ILE A 26 6.479 -3.875 -10.867 1.00 41.12 H new ATOM 0 HD13 ILE A 26 6.224 -2.242 -10.206 1.00 41.12 H new ATOM 432 N LYS A 27 9.716 -2.648 -7.543 1.00 3.21 N ATOM 433 CA LYS A 27 10.727 -2.988 -6.548 1.00 53.22 C ATOM 434 C LYS A 27 10.661 -4.469 -6.191 1.00 25.23 C ATOM 435 O LYS A 27 9.578 -5.039 -6.061 1.00 44.13 O ATOM 436 CB LYS A 27 10.538 -2.139 -5.289 1.00 33.54 C ATOM 437 CG LYS A 27 11.411 -2.576 -4.125 1.00 13.23 C ATOM 438 CD LYS A 27 11.935 -1.383 -3.343 1.00 44.14 C ATOM 439 CE LYS A 27 11.089 -1.109 -2.110 1.00 2.15 C ATOM 440 NZ LYS A 27 10.077 -0.045 -2.356 1.00 43.41 N ATOM 0 H LYS A 27 8.798 -3.057 -7.368 1.00 3.21 H new ATOM 0 HA LYS A 27 11.708 -2.779 -6.975 1.00 53.22 H new ATOM 0 HB2 LYS A 27 10.758 -1.098 -5.526 1.00 33.54 H new ATOM 0 HB3 LYS A 27 9.492 -2.183 -4.985 1.00 33.54 H new ATOM 0 HG2 LYS A 27 10.837 -3.224 -3.462 1.00 13.23 H new ATOM 0 HG3 LYS A 27 12.249 -3.164 -4.498 1.00 13.23 H new ATOM 0 HD2 LYS A 27 12.967 -1.568 -3.044 1.00 44.14 H new ATOM 0 HD3 LYS A 27 11.942 -0.501 -3.984 1.00 44.14 H new ATOM 0 HE2 LYS A 27 10.585 -2.026 -1.805 1.00 2.15 H new ATOM 0 HE3 LYS A 27 11.736 -0.811 -1.285 1.00 2.15 H new ATOM 0 HZ1 LYS A 27 9.998 0.560 -1.514 1.00 43.41 H new ATOM 0 HZ2 LYS A 27 10.371 0.532 -3.170 1.00 43.41 H new ATOM 0 HZ3 LYS A 27 9.155 -0.482 -2.556 1.00 43.41 H new ATOM 454 N ALA A 28 11.827 -5.087 -6.031 1.00 45.41 N ATOM 455 CA ALA A 28 11.902 -6.501 -5.685 1.00 0.41 C ATOM 456 C ALA A 28 12.868 -6.732 -4.528 1.00 32.32 C ATOM 457 O ALA A 28 14.085 -6.687 -4.704 1.00 43.44 O ATOM 458 CB ALA A 28 12.321 -7.319 -6.897 1.00 23.31 C ATOM 0 H ALA A 28 12.733 -4.630 -6.136 1.00 45.41 H new ATOM 0 HA ALA A 28 10.911 -6.825 -5.367 1.00 0.41 H new ATOM 0 HB1 ALA A 28 12.373 -8.373 -6.624 1.00 23.31 H new ATOM 0 HB2 ALA A 28 11.591 -7.186 -7.696 1.00 23.31 H new ATOM 0 HB3 ALA A 28 13.300 -6.985 -7.241 1.00 23.31 H new ATOM 464 N ARG A 29 12.317 -6.980 -3.344 1.00 30.30 N ATOM 465 CA ARG A 29 13.130 -7.217 -2.157 1.00 63.14 C ATOM 466 C ARG A 29 12.900 -8.624 -1.613 1.00 5.24 C ATOM 467 O ARG A 29 11.848 -8.917 -1.044 1.00 44.34 O ATOM 468 CB ARG A 29 12.809 -6.182 -1.078 1.00 2.21 C ATOM 469 CG ARG A 29 13.652 -6.330 0.178 1.00 2.11 C ATOM 470 CD ARG A 29 12.900 -5.859 1.413 1.00 51.33 C ATOM 471 NE ARG A 29 13.805 -5.405 2.465 1.00 1.22 N ATOM 472 CZ ARG A 29 13.404 -5.076 3.688 1.00 21.32 C ATOM 473 NH1 ARG A 29 12.120 -5.151 4.011 1.00 23.40 N ATOM 474 NH2 ARG A 29 14.288 -4.672 4.591 1.00 21.24 N ATOM 0 H ARG A 29 11.311 -7.022 -3.181 1.00 30.30 H new ATOM 0 HA ARG A 29 14.178 -7.123 -2.440 1.00 63.14 H new ATOM 0 HB2 ARG A 29 12.957 -5.183 -1.489 1.00 2.21 H new ATOM 0 HB3 ARG A 29 11.756 -6.264 -0.810 1.00 2.21 H new ATOM 0 HG2 ARG A 29 13.941 -7.374 0.303 1.00 2.11 H new ATOM 0 HG3 ARG A 29 14.572 -5.755 0.070 1.00 2.11 H new ATOM 0 HD2 ARG A 29 12.226 -5.047 1.139 1.00 51.33 H new ATOM 0 HD3 ARG A 29 12.282 -6.672 1.793 1.00 51.33 H new ATOM 0 HE ARG A 29 14.800 -5.337 2.249 1.00 1.22 H new ATOM 0 HH11 ARG A 29 11.438 -5.462 3.320 1.00 23.40 H new ATOM 0 HH12 ARG A 29 11.815 -4.898 4.951 1.00 23.40 H new ATOM 0 HH21 ARG A 29 15.277 -4.614 4.346 1.00 21.24 H new ATOM 0 HH22 ARG A 29 13.979 -4.420 5.530 1.00 21.24 H new ATOM 488 N VAL A 30 13.892 -9.491 -1.791 1.00 20.15 N ATOM 489 CA VAL A 30 13.799 -10.867 -1.317 1.00 14.23 C ATOM 490 C VAL A 30 14.031 -10.947 0.188 1.00 44.21 C ATOM 491 O VAL A 30 15.159 -10.807 0.659 1.00 24.31 O ATOM 492 CB VAL A 30 14.815 -11.777 -2.031 1.00 41.24 C ATOM 493 CG1 VAL A 30 14.903 -13.128 -1.338 1.00 14.21 C ATOM 494 CG2 VAL A 30 14.442 -11.944 -3.497 1.00 1.33 C ATOM 0 H VAL A 30 14.769 -9.265 -2.260 1.00 20.15 H new ATOM 0 HA VAL A 30 12.791 -11.212 -1.545 1.00 14.23 H new ATOM 0 HB VAL A 30 15.796 -11.306 -1.980 1.00 41.24 H new ATOM 0 HG11 VAL A 30 15.626 -13.757 -1.857 1.00 14.21 H new ATOM 0 HG12 VAL A 30 15.221 -12.987 -0.305 1.00 14.21 H new ATOM 0 HG13 VAL A 30 13.925 -13.610 -1.354 1.00 14.21 H new ATOM 0 HG21 VAL A 30 15.171 -12.590 -3.987 1.00 1.33 H new ATOM 0 HG22 VAL A 30 13.451 -12.393 -3.572 1.00 1.33 H new ATOM 0 HG23 VAL A 30 14.436 -10.969 -3.984 1.00 1.33 H new ATOM 504 N GLU A 31 12.956 -11.173 0.936 1.00 2.34 N ATOM 505 CA GLU A 31 13.044 -11.271 2.389 1.00 42.14 C ATOM 506 C GLU A 31 12.630 -12.660 2.866 1.00 4.00 C ATOM 507 O GLU A 31 11.485 -13.073 2.690 1.00 50.42 O ATOM 508 CB GLU A 31 12.162 -10.209 3.048 1.00 33.12 C ATOM 509 CG GLU A 31 12.007 -10.393 4.549 1.00 41.44 C ATOM 510 CD GLU A 31 11.634 -9.106 5.258 1.00 0.53 C ATOM 511 OE1 GLU A 31 11.629 -8.044 4.600 1.00 23.33 O ATOM 512 OE2 GLU A 31 11.346 -9.160 6.472 1.00 25.25 O ATOM 0 H GLU A 31 12.015 -11.292 0.561 1.00 2.34 H new ATOM 0 HA GLU A 31 14.081 -11.101 2.677 1.00 42.14 H new ATOM 0 HB2 GLU A 31 12.586 -9.224 2.853 1.00 33.12 H new ATOM 0 HB3 GLU A 31 11.176 -10.229 2.584 1.00 33.12 H new ATOM 0 HG2 GLU A 31 11.242 -11.145 4.742 1.00 41.44 H new ATOM 0 HG3 GLU A 31 12.940 -10.774 4.963 1.00 41.44 H new ATOM 519 N ASN A 32 13.573 -13.376 3.471 1.00 75.32 N ATOM 520 CA ASN A 32 13.307 -14.720 3.973 1.00 41.41 C ATOM 521 C ASN A 32 12.603 -14.666 5.325 1.00 10.43 C ATOM 522 O ASN A 32 12.556 -13.619 5.972 1.00 52.25 O ATOM 523 CB ASN A 32 14.613 -15.508 4.096 1.00 13.22 C ATOM 524 CG ASN A 32 14.390 -17.007 4.048 1.00 72.03 C ATOM 525 OD1 ASN A 32 13.478 -17.489 3.376 1.00 54.32 O ATOM 526 ND2 ASN A 32 15.225 -17.753 4.762 1.00 14.54 N ATOM 0 H ASN A 32 14.527 -13.049 3.625 1.00 75.32 H new ATOM 0 HA ASN A 32 12.652 -15.224 3.262 1.00 41.41 H new ATOM 0 HB2 ASN A 32 15.287 -15.218 3.290 1.00 13.22 H new ATOM 0 HB3 ASN A 32 15.105 -15.246 5.033 1.00 13.22 H new ATOM 0 HD21 ASN A 32 15.124 -18.768 4.768 1.00 14.54 H new ATOM 0 HD22 ASN A 32 15.967 -17.311 5.305 1.00 14.54 H new ATOM 533 N VAL A 33 12.057 -15.801 5.748 1.00 70.50 N ATOM 534 CA VAL A 33 11.357 -15.885 7.024 1.00 13.21 C ATOM 535 C VAL A 33 12.011 -16.909 7.944 1.00 2.03 C ATOM 536 O VAL A 33 11.989 -16.765 9.167 1.00 71.23 O ATOM 537 CB VAL A 33 9.876 -16.259 6.828 1.00 34.42 C ATOM 538 CG1 VAL A 33 9.752 -17.550 6.034 1.00 72.45 C ATOM 539 CG2 VAL A 33 9.175 -16.382 8.173 1.00 62.11 C ATOM 0 H VAL A 33 12.086 -16.676 5.225 1.00 70.50 H new ATOM 0 HA VAL A 33 11.417 -14.898 7.483 1.00 13.21 H new ATOM 0 HB VAL A 33 9.391 -15.464 6.262 1.00 34.42 H new ATOM 0 HG11 VAL A 33 8.698 -17.798 5.906 1.00 72.45 H new ATOM 0 HG12 VAL A 33 10.216 -17.422 5.056 1.00 72.45 H new ATOM 0 HG13 VAL A 33 10.252 -18.356 6.570 1.00 72.45 H new ATOM 0 HG21 VAL A 33 8.129 -16.647 8.015 1.00 62.11 H new ATOM 0 HG22 VAL A 33 9.660 -17.157 8.767 1.00 62.11 H new ATOM 0 HG23 VAL A 33 9.233 -15.431 8.702 1.00 62.11 H new ATOM 549 N VAL A 34 12.595 -17.944 7.348 1.00 33.25 N ATOM 550 CA VAL A 34 13.258 -18.993 8.114 1.00 13.12 C ATOM 551 C VAL A 34 14.245 -18.402 9.114 1.00 24.32 C ATOM 552 O VAL A 34 14.144 -18.641 10.317 1.00 62.23 O ATOM 553 CB VAL A 34 14.004 -19.975 7.192 1.00 74.23 C ATOM 554 CG1 VAL A 34 14.619 -21.106 8.002 1.00 71.23 C ATOM 555 CG2 VAL A 34 13.066 -20.521 6.126 1.00 53.14 C ATOM 0 H VAL A 34 12.622 -18.078 6.337 1.00 33.25 H new ATOM 0 HA VAL A 34 12.479 -19.533 8.652 1.00 13.12 H new ATOM 0 HB VAL A 34 14.810 -19.437 6.694 1.00 74.23 H new ATOM 0 HG11 VAL A 34 15.142 -21.790 7.333 1.00 71.23 H new ATOM 0 HG12 VAL A 34 15.324 -20.695 8.724 1.00 71.23 H new ATOM 0 HG13 VAL A 34 13.832 -21.645 8.530 1.00 71.23 H new ATOM 0 HG21 VAL A 34 13.610 -21.213 5.483 1.00 53.14 H new ATOM 0 HG22 VAL A 34 12.237 -21.044 6.604 1.00 53.14 H new ATOM 0 HG23 VAL A 34 12.678 -19.698 5.526 1.00 53.14 H new ATOM 565 N ASN A 35 15.201 -17.629 8.608 1.00 74.11 N ATOM 566 CA ASN A 35 16.208 -17.003 9.457 1.00 33.52 C ATOM 567 C ASN A 35 15.592 -15.894 10.304 1.00 31.25 C ATOM 568 O ASN A 35 16.118 -15.539 11.359 1.00 74.44 O ATOM 569 CB ASN A 35 17.344 -16.437 8.604 1.00 63.34 C ATOM 570 CG ASN A 35 18.681 -17.079 8.921 1.00 20.14 C ATOM 571 OD1 ASN A 35 19.362 -17.593 8.034 1.00 61.10 O ATOM 572 ND2 ASN A 35 19.063 -17.052 10.193 1.00 34.31 N ATOM 0 H ASN A 35 15.299 -17.421 7.614 1.00 74.11 H new ATOM 0 HA ASN A 35 16.609 -17.766 10.125 1.00 33.52 H new ATOM 0 HB2 ASN A 35 17.113 -16.588 7.550 1.00 63.34 H new ATOM 0 HB3 ASN A 35 17.414 -15.361 8.764 1.00 63.34 H new ATOM 0 HD21 ASN A 35 19.953 -17.468 10.467 1.00 34.31 H new ATOM 0 HD22 ASN A 35 18.466 -16.615 10.895 1.00 34.31 H new ATOM 579 N GLY A 36 14.473 -15.350 9.835 1.00 31.33 N ATOM 580 CA GLY A 36 13.803 -14.287 10.562 1.00 23.50 C ATOM 581 C GLY A 36 14.253 -12.909 10.118 1.00 33.55 C ATOM 582 O GLY A 36 13.748 -11.897 10.605 1.00 45.13 O ATOM 0 H GLY A 36 14.018 -15.626 8.965 1.00 31.33 H new ATOM 0 HA2 GLY A 36 12.726 -14.377 10.421 1.00 23.50 H new ATOM 0 HA3 GLY A 36 13.996 -14.403 11.629 1.00 23.50 H new ATOM 586 N LYS A 37 15.205 -12.869 9.193 1.00 5.02 N ATOM 587 CA LYS A 37 15.724 -11.605 8.683 1.00 24.34 C ATOM 588 C LYS A 37 15.459 -11.472 7.187 1.00 15.03 C ATOM 589 O LYS A 37 14.782 -12.309 6.590 1.00 20.45 O ATOM 590 CB LYS A 37 17.226 -11.500 8.957 1.00 44.33 C ATOM 591 CG LYS A 37 18.073 -12.372 8.046 1.00 41.21 C ATOM 592 CD LYS A 37 19.557 -12.188 8.319 1.00 35.12 C ATOM 593 CE LYS A 37 20.000 -10.758 8.050 1.00 61.44 C ATOM 594 NZ LYS A 37 21.484 -10.630 8.043 1.00 53.15 N ATOM 0 H LYS A 37 15.634 -13.698 8.781 1.00 5.02 H new ATOM 0 HA LYS A 37 15.209 -10.795 9.199 1.00 24.34 H new ATOM 0 HB2 LYS A 37 17.536 -10.461 8.843 1.00 44.33 H new ATOM 0 HB3 LYS A 37 17.418 -11.778 9.993 1.00 44.33 H new ATOM 0 HG2 LYS A 37 17.803 -13.418 8.188 1.00 41.21 H new ATOM 0 HG3 LYS A 37 17.860 -12.127 7.005 1.00 41.21 H new ATOM 0 HD2 LYS A 37 19.772 -12.448 9.355 1.00 35.12 H new ATOM 0 HD3 LYS A 37 20.131 -12.872 7.693 1.00 35.12 H new ATOM 0 HE2 LYS A 37 19.602 -10.429 7.090 1.00 61.44 H new ATOM 0 HE3 LYS A 37 19.582 -10.099 8.811 1.00 61.44 H new ATOM 0 HZ1 LYS A 37 21.746 -9.641 7.856 1.00 53.15 H new ATOM 0 HZ2 LYS A 37 21.862 -10.920 8.968 1.00 53.15 H new ATOM 0 HZ3 LYS A 37 21.882 -11.240 7.300 1.00 53.15 H new ATOM 608 N SER A 38 15.996 -10.415 6.587 1.00 4.12 N ATOM 609 CA SER A 38 15.815 -10.171 5.161 1.00 60.20 C ATOM 610 C SER A 38 17.161 -9.990 4.465 1.00 12.14 C ATOM 611 O SER A 38 17.895 -9.043 4.746 1.00 2.41 O ATOM 612 CB SER A 38 14.943 -8.933 4.940 1.00 23.54 C ATOM 613 OG SER A 38 15.679 -7.744 5.169 1.00 61.14 O ATOM 0 H SER A 38 16.560 -9.713 7.066 1.00 4.12 H new ATOM 0 HA SER A 38 15.317 -11.039 4.730 1.00 60.20 H new ATOM 0 HB2 SER A 38 14.556 -8.934 3.921 1.00 23.54 H new ATOM 0 HB3 SER A 38 14.082 -8.966 5.608 1.00 23.54 H new ATOM 0 HG SER A 38 16.620 -7.967 5.328 1.00 61.14 H new ATOM 619 N VAL A 39 17.478 -10.906 3.556 1.00 53.24 N ATOM 620 CA VAL A 39 18.734 -10.848 2.818 1.00 1.10 C ATOM 621 C VAL A 39 18.486 -10.734 1.318 1.00 0.11 C ATOM 622 O VAL A 39 18.834 -11.631 0.551 1.00 54.41 O ATOM 623 CB VAL A 39 19.603 -12.090 3.091 1.00 73.33 C ATOM 624 CG1 VAL A 39 20.399 -11.914 4.374 1.00 4.23 C ATOM 625 CG2 VAL A 39 18.738 -13.340 3.158 1.00 60.13 C ATOM 0 H VAL A 39 16.882 -11.697 3.313 1.00 53.24 H new ATOM 0 HA VAL A 39 19.263 -9.960 3.164 1.00 1.10 H new ATOM 0 HB VAL A 39 20.308 -12.207 2.268 1.00 73.33 H new ATOM 0 HG11 VAL A 39 21.007 -12.802 4.550 1.00 4.23 H new ATOM 0 HG12 VAL A 39 21.047 -11.043 4.283 1.00 4.23 H new ATOM 0 HG13 VAL A 39 19.714 -11.771 5.210 1.00 4.23 H new ATOM 0 HG21 VAL A 39 19.368 -14.208 3.351 1.00 60.13 H new ATOM 0 HG22 VAL A 39 18.008 -13.235 3.961 1.00 60.13 H new ATOM 0 HG23 VAL A 39 18.217 -13.473 2.210 1.00 60.13 H new ATOM 635 N GLY A 40 17.882 -9.623 0.906 1.00 22.22 N ATOM 636 CA GLY A 40 17.598 -9.412 -0.501 1.00 50.50 C ATOM 637 C GLY A 40 17.204 -7.979 -0.804 1.00 64.40 C ATOM 638 O GLY A 40 16.328 -7.418 -0.148 1.00 53.43 O ATOM 0 H GLY A 40 17.585 -8.866 1.522 1.00 22.22 H new ATOM 0 HA2 GLY A 40 18.477 -9.676 -1.090 1.00 50.50 H new ATOM 0 HA3 GLY A 40 16.794 -10.080 -0.811 1.00 50.50 H new ATOM 642 N ALA A 41 17.855 -7.387 -1.800 1.00 3.54 N ATOM 643 CA ALA A 41 17.568 -6.011 -2.188 1.00 61.31 C ATOM 644 C ALA A 41 17.842 -5.792 -3.672 1.00 55.41 C ATOM 645 O ALA A 41 18.974 -5.938 -4.133 1.00 32.14 O ATOM 646 CB ALA A 41 18.389 -5.043 -1.349 1.00 63.42 C ATOM 0 H ALA A 41 18.584 -7.838 -2.353 1.00 3.54 H new ATOM 0 HA ALA A 41 16.510 -5.822 -2.008 1.00 61.31 H new ATOM 0 HB1 ALA A 41 18.164 -4.020 -1.650 1.00 63.42 H new ATOM 0 HB2 ALA A 41 18.141 -5.174 -0.296 1.00 63.42 H new ATOM 0 HB3 ALA A 41 19.450 -5.241 -1.500 1.00 63.42 H new ATOM 652 N ARG A 42 16.798 -5.440 -4.416 1.00 34.23 N ATOM 653 CA ARG A 42 16.926 -5.202 -5.848 1.00 75.34 C ATOM 654 C ARG A 42 15.861 -4.223 -6.334 1.00 71.12 C ATOM 655 O ARG A 42 14.795 -4.100 -5.731 1.00 31.03 O ATOM 656 CB ARG A 42 16.811 -6.520 -6.618 1.00 3.41 C ATOM 657 CG ARG A 42 18.145 -7.052 -7.116 1.00 2.14 C ATOM 658 CD ARG A 42 18.808 -6.080 -8.080 1.00 31.34 C ATOM 659 NE ARG A 42 19.867 -6.718 -8.857 1.00 41.23 N ATOM 660 CZ ARG A 42 19.642 -7.457 -9.938 1.00 2.20 C ATOM 661 NH1 ARG A 42 18.403 -7.650 -10.367 1.00 14.11 N ATOM 662 NH2 ARG A 42 20.659 -8.004 -10.592 1.00 54.13 N ATOM 0 H ARG A 42 15.854 -5.313 -4.050 1.00 34.23 H new ATOM 0 HA ARG A 42 17.908 -4.765 -6.032 1.00 75.34 H new ATOM 0 HB2 ARG A 42 16.348 -7.268 -5.974 1.00 3.41 H new ATOM 0 HB3 ARG A 42 16.146 -6.377 -7.469 1.00 3.41 H new ATOM 0 HG2 ARG A 42 18.805 -7.232 -6.268 1.00 2.14 H new ATOM 0 HG3 ARG A 42 17.993 -8.011 -7.611 1.00 2.14 H new ATOM 0 HD2 ARG A 42 18.057 -5.672 -8.757 1.00 31.34 H new ATOM 0 HD3 ARG A 42 19.223 -5.241 -7.521 1.00 31.34 H new ATOM 0 HE ARG A 42 20.832 -6.589 -8.553 1.00 41.23 H new ATOM 0 HH11 ARG A 42 17.619 -7.231 -9.867 1.00 14.11 H new ATOM 0 HH12 ARG A 42 18.233 -8.218 -11.197 1.00 14.11 H new ATOM 0 HH21 ARG A 42 21.614 -7.857 -10.265 1.00 54.13 H new ATOM 0 HH22 ARG A 42 20.486 -8.571 -11.422 1.00 54.13 H new ATOM 676 N ASP A 43 16.158 -3.529 -7.427 1.00 53.02 N ATOM 677 CA ASP A 43 15.226 -2.561 -7.995 1.00 3.13 C ATOM 678 C ASP A 43 14.944 -2.873 -9.461 1.00 22.20 C ATOM 679 O ASP A 43 15.866 -3.012 -10.265 1.00 71.43 O ATOM 680 CB ASP A 43 15.786 -1.144 -7.861 1.00 13.24 C ATOM 681 CG ASP A 43 17.159 -1.002 -8.487 1.00 53.35 C ATOM 682 OD1 ASP A 43 18.131 -1.534 -7.912 1.00 51.24 O ATOM 683 OD2 ASP A 43 17.261 -0.358 -9.553 1.00 3.43 O ATOM 0 H ASP A 43 17.036 -3.618 -7.938 1.00 53.02 H new ATOM 0 HA ASP A 43 14.289 -2.628 -7.442 1.00 3.13 H new ATOM 0 HB2 ASP A 43 15.101 -0.440 -8.332 1.00 13.24 H new ATOM 0 HB3 ASP A 43 15.842 -0.877 -6.806 1.00 13.24 H new ATOM 688 N PHE A 44 13.664 -2.983 -9.802 1.00 24.23 N ATOM 689 CA PHE A 44 13.261 -3.281 -11.171 1.00 33.22 C ATOM 690 C PHE A 44 12.567 -2.080 -11.807 1.00 70.20 C ATOM 691 O PHE A 44 12.412 -1.034 -11.177 1.00 52.11 O ATOM 692 CB PHE A 44 12.330 -4.495 -11.198 1.00 32.33 C ATOM 693 CG PHE A 44 13.054 -5.802 -11.354 1.00 75.23 C ATOM 694 CD1 PHE A 44 14.179 -6.081 -10.596 1.00 20.13 C ATOM 695 CD2 PHE A 44 12.608 -6.752 -12.259 1.00 41.24 C ATOM 696 CE1 PHE A 44 14.847 -7.282 -10.738 1.00 61.55 C ATOM 697 CE2 PHE A 44 13.272 -7.955 -12.406 1.00 71.33 C ATOM 698 CZ PHE A 44 14.392 -8.221 -11.644 1.00 24.21 C ATOM 0 H PHE A 44 12.889 -2.870 -9.149 1.00 24.23 H new ATOM 0 HA PHE A 44 14.159 -3.507 -11.747 1.00 33.22 H new ATOM 0 HB2 PHE A 44 11.749 -4.518 -10.276 1.00 32.33 H new ATOM 0 HB3 PHE A 44 11.621 -4.381 -12.018 1.00 32.33 H new ATOM 0 HD1 PHE A 44 14.538 -5.351 -9.886 1.00 20.13 H new ATOM 0 HD2 PHE A 44 11.731 -6.550 -12.856 1.00 41.24 H new ATOM 0 HE1 PHE A 44 15.724 -7.487 -10.142 1.00 61.55 H new ATOM 0 HE2 PHE A 44 12.915 -8.686 -13.116 1.00 71.33 H new ATOM 0 HZ PHE A 44 14.912 -9.161 -11.756 1.00 24.21 H new ATOM 708 N ASP A 45 12.153 -2.239 -13.059 1.00 75.01 N ATOM 709 CA ASP A 45 11.475 -1.169 -13.782 1.00 11.23 C ATOM 710 C ASP A 45 10.047 -1.572 -14.136 1.00 51.03 C ATOM 711 O ASP A 45 9.091 -0.881 -13.785 1.00 51.44 O ATOM 712 CB ASP A 45 12.248 -0.813 -15.053 1.00 21.35 C ATOM 713 CG ASP A 45 13.630 -0.265 -14.755 1.00 60.31 C ATOM 714 OD1 ASP A 45 13.757 0.546 -13.814 1.00 21.12 O ATOM 715 OD2 ASP A 45 14.585 -0.648 -15.463 1.00 74.20 O ATOM 0 H ASP A 45 12.275 -3.098 -13.595 1.00 75.01 H new ATOM 0 HA ASP A 45 11.436 -0.294 -13.133 1.00 11.23 H new ATOM 0 HB2 ASP A 45 12.339 -1.700 -15.680 1.00 21.35 H new ATOM 0 HB3 ASP A 45 11.683 -0.076 -15.624 1.00 21.35 H new ATOM 720 N SER A 46 9.911 -2.695 -14.835 1.00 15.51 N ATOM 721 CA SER A 46 8.600 -3.187 -15.241 1.00 73.35 C ATOM 722 C SER A 46 8.260 -4.487 -14.519 1.00 31.31 C ATOM 723 O SER A 46 9.121 -5.345 -14.319 1.00 41.24 O ATOM 724 CB SER A 46 8.561 -3.407 -16.755 1.00 51.31 C ATOM 725 OG SER A 46 9.349 -2.442 -17.431 1.00 25.35 O ATOM 0 H SER A 46 10.692 -3.280 -15.131 1.00 15.51 H new ATOM 0 HA SER A 46 7.858 -2.436 -14.970 1.00 73.35 H new ATOM 0 HB2 SER A 46 8.925 -4.407 -16.990 1.00 51.31 H new ATOM 0 HB3 SER A 46 7.531 -3.352 -17.107 1.00 51.31 H new ATOM 0 HG SER A 46 9.309 -2.605 -18.396 1.00 25.35 H new ATOM 731 N THR A 47 6.997 -4.627 -14.128 1.00 31.11 N ATOM 732 CA THR A 47 6.542 -5.821 -13.426 1.00 53.34 C ATOM 733 C THR A 47 6.681 -7.060 -14.303 1.00 30.23 C ATOM 734 O THR A 47 6.876 -8.167 -13.801 1.00 42.31 O ATOM 735 CB THR A 47 5.074 -5.684 -12.979 1.00 71.25 C ATOM 736 OG1 THR A 47 4.685 -4.306 -12.989 1.00 21.12 O ATOM 737 CG2 THR A 47 4.876 -6.263 -11.586 1.00 44.35 C ATOM 0 H THR A 47 6.271 -3.928 -14.286 1.00 31.11 H new ATOM 0 HA THR A 47 7.174 -5.930 -12.545 1.00 53.34 H new ATOM 0 HB THR A 47 4.451 -6.241 -13.678 1.00 71.25 H new ATOM 0 HG1 THR A 47 3.750 -4.228 -12.705 1.00 21.12 H new ATOM 0 HG21 THR A 47 3.832 -6.155 -11.292 1.00 44.35 H new ATOM 0 HG22 THR A 47 5.144 -7.319 -11.590 1.00 44.35 H new ATOM 0 HG23 THR A 47 5.510 -5.730 -10.877 1.00 44.35 H new ATOM 745 N GLU A 48 6.580 -6.867 -15.614 1.00 40.31 N ATOM 746 CA GLU A 48 6.695 -7.971 -16.560 1.00 10.24 C ATOM 747 C GLU A 48 7.970 -8.771 -16.309 1.00 40.13 C ATOM 748 O GLU A 48 7.925 -9.987 -16.125 1.00 10.25 O ATOM 749 CB GLU A 48 6.684 -7.444 -17.996 1.00 71.43 C ATOM 750 CG GLU A 48 6.375 -8.511 -19.033 1.00 65.51 C ATOM 751 CD GLU A 48 6.839 -8.125 -20.424 1.00 43.30 C ATOM 752 OE1 GLU A 48 8.054 -7.891 -20.600 1.00 75.43 O ATOM 753 OE2 GLU A 48 5.989 -8.055 -21.336 1.00 12.04 O ATOM 0 H GLU A 48 6.419 -5.957 -16.045 1.00 40.31 H new ATOM 0 HA GLU A 48 5.839 -8.630 -16.417 1.00 10.24 H new ATOM 0 HB2 GLU A 48 5.945 -6.647 -18.076 1.00 71.43 H new ATOM 0 HB3 GLU A 48 7.655 -7.002 -18.220 1.00 71.43 H new ATOM 0 HG2 GLU A 48 6.854 -9.446 -18.741 1.00 65.51 H new ATOM 0 HG3 GLU A 48 5.301 -8.695 -19.050 1.00 65.51 H new ATOM 760 N GLN A 49 9.105 -8.079 -16.306 1.00 13.14 N ATOM 761 CA GLN A 49 10.392 -8.725 -16.079 1.00 42.05 C ATOM 762 C GLN A 49 10.519 -9.195 -14.634 1.00 71.32 C ATOM 763 O GLN A 49 11.257 -10.136 -14.339 1.00 32.31 O ATOM 764 CB GLN A 49 11.534 -7.766 -16.418 1.00 45.41 C ATOM 765 CG GLN A 49 11.415 -6.412 -15.736 1.00 20.52 C ATOM 766 CD GLN A 49 12.739 -5.678 -15.659 1.00 62.45 C ATOM 767 OE1 GLN A 49 13.760 -6.351 -15.142 1.00 74.23 O flip ATOM 768 NE2 GLN A 49 12.844 -4.519 -16.061 1.00 24.13 N flip ATOM 0 H GLN A 49 9.159 -7.072 -16.458 1.00 13.14 H new ATOM 0 HA GLN A 49 10.452 -9.596 -16.731 1.00 42.05 H new ATOM 0 HB2 GLN A 49 12.480 -8.226 -16.132 1.00 45.41 H new ATOM 0 HB3 GLN A 49 11.565 -7.618 -17.497 1.00 45.41 H new ATOM 0 HG2 GLN A 49 10.695 -5.799 -16.278 1.00 20.52 H new ATOM 0 HG3 GLN A 49 11.022 -6.550 -14.729 1.00 20.52 H new ATOM 0 HE21 GLN A 49 12.033 -4.039 -16.451 1.00 24.13 H new ATOM 0 HE22 GLN A 49 13.742 -4.039 -16.004 1.00 24.13 H new ATOM 777 N LEU A 50 9.795 -8.535 -13.737 1.00 5.20 N ATOM 778 CA LEU A 50 9.827 -8.885 -12.321 1.00 51.01 C ATOM 779 C LEU A 50 9.515 -10.364 -12.119 1.00 61.30 C ATOM 780 O LEU A 50 10.281 -11.088 -11.483 1.00 72.14 O ATOM 781 CB LEU A 50 8.826 -8.030 -11.542 1.00 21.02 C ATOM 782 CG LEU A 50 9.196 -7.719 -10.091 1.00 51.41 C ATOM 783 CD1 LEU A 50 8.068 -6.965 -9.403 1.00 24.22 C ATOM 784 CD2 LEU A 50 9.522 -9.000 -9.337 1.00 41.51 C ATOM 0 H LEU A 50 9.179 -7.755 -13.965 1.00 5.20 H new ATOM 0 HA LEU A 50 10.832 -8.690 -11.946 1.00 51.01 H new ATOM 0 HB2 LEU A 50 8.694 -7.087 -12.072 1.00 21.02 H new ATOM 0 HB3 LEU A 50 7.862 -8.538 -11.549 1.00 21.02 H new ATOM 0 HG LEU A 50 10.083 -7.085 -10.090 1.00 51.41 H new ATOM 0 HD11 LEU A 50 8.349 -6.752 -8.371 1.00 24.22 H new ATOM 0 HD12 LEU A 50 7.882 -6.029 -9.929 1.00 24.22 H new ATOM 0 HD13 LEU A 50 7.164 -7.573 -9.415 1.00 24.22 H new ATOM 0 HD21 LEU A 50 9.783 -8.759 -8.306 1.00 41.51 H new ATOM 0 HD22 LEU A 50 8.654 -9.659 -9.347 1.00 41.51 H new ATOM 0 HD23 LEU A 50 10.363 -9.501 -9.817 1.00 41.51 H new ATOM 796 N GLU A 51 8.387 -10.806 -12.666 1.00 61.32 N ATOM 797 CA GLU A 51 7.976 -12.200 -12.547 1.00 33.15 C ATOM 798 C GLU A 51 8.875 -13.107 -13.382 1.00 41.51 C ATOM 799 O GLU A 51 9.192 -14.226 -12.980 1.00 5.34 O ATOM 800 CB GLU A 51 6.519 -12.365 -12.985 1.00 11.52 C ATOM 801 CG GLU A 51 5.545 -11.509 -12.192 1.00 73.33 C ATOM 802 CD GLU A 51 5.554 -11.835 -10.711 1.00 75.03 C ATOM 803 OE1 GLU A 51 5.381 -13.023 -10.365 1.00 4.52 O ATOM 804 OE2 GLU A 51 5.732 -10.903 -9.899 1.00 61.44 O ATOM 0 H GLU A 51 7.742 -10.219 -13.195 1.00 61.32 H new ATOM 0 HA GLU A 51 8.069 -12.490 -11.500 1.00 33.15 H new ATOM 0 HB2 GLU A 51 6.435 -12.112 -14.042 1.00 11.52 H new ATOM 0 HB3 GLU A 51 6.234 -13.412 -12.885 1.00 11.52 H new ATOM 0 HG2 GLU A 51 5.796 -10.457 -12.330 1.00 73.33 H new ATOM 0 HG3 GLU A 51 4.538 -11.651 -12.585 1.00 73.33 H new ATOM 811 N SER A 52 9.282 -12.615 -14.548 1.00 54.41 N ATOM 812 CA SER A 52 10.141 -13.381 -15.443 1.00 53.23 C ATOM 813 C SER A 52 11.453 -13.747 -14.756 1.00 52.40 C ATOM 814 O SER A 52 12.104 -14.726 -15.119 1.00 31.22 O ATOM 815 CB SER A 52 10.424 -12.584 -16.718 1.00 63.01 C ATOM 816 OG SER A 52 10.774 -13.443 -17.789 1.00 61.33 O ATOM 0 H SER A 52 9.031 -11.689 -14.895 1.00 54.41 H new ATOM 0 HA SER A 52 9.621 -14.302 -15.707 1.00 53.23 H new ATOM 0 HB2 SER A 52 9.544 -12.000 -16.989 1.00 63.01 H new ATOM 0 HB3 SER A 52 11.233 -11.876 -16.536 1.00 63.01 H new ATOM 0 HG SER A 52 10.948 -12.910 -18.592 1.00 61.33 H new ATOM 822 N TRP A 53 11.834 -12.952 -13.762 1.00 71.24 N ATOM 823 CA TRP A 53 13.068 -13.191 -13.023 1.00 65.44 C ATOM 824 C TRP A 53 12.943 -14.428 -12.141 1.00 25.33 C ATOM 825 O TRP A 53 13.788 -15.323 -12.186 1.00 73.33 O ATOM 826 CB TRP A 53 13.420 -11.973 -12.168 1.00 54.24 C ATOM 827 CG TRP A 53 14.141 -12.323 -10.902 1.00 62.35 C ATOM 828 CD1 TRP A 53 13.788 -11.968 -9.632 1.00 52.42 C ATOM 829 CD2 TRP A 53 15.340 -13.097 -10.786 1.00 3.13 C ATOM 830 NE1 TRP A 53 14.695 -12.473 -8.733 1.00 21.43 N ATOM 831 CE2 TRP A 53 15.657 -13.171 -9.415 1.00 14.20 C ATOM 832 CE3 TRP A 53 16.176 -13.736 -11.705 1.00 44.01 C ATOM 833 CZ2 TRP A 53 16.773 -13.857 -8.945 1.00 2.10 C ATOM 834 CZ3 TRP A 53 17.284 -14.416 -11.237 1.00 24.20 C ATOM 835 CH2 TRP A 53 17.574 -14.473 -9.867 1.00 64.23 C ATOM 0 H TRP A 53 11.306 -12.137 -13.450 1.00 71.24 H new ATOM 0 HA TRP A 53 13.867 -13.361 -13.745 1.00 65.44 H new ATOM 0 HB2 TRP A 53 14.039 -11.294 -12.754 1.00 54.24 H new ATOM 0 HB3 TRP A 53 12.505 -11.436 -11.920 1.00 54.24 H new ATOM 0 HD1 TRP A 53 12.922 -11.377 -9.372 1.00 52.42 H new ATOM 0 HE1 TRP A 53 14.659 -12.349 -7.721 1.00 21.43 H new ATOM 0 HE3 TRP A 53 15.960 -13.699 -12.763 1.00 44.01 H new ATOM 0 HZ2 TRP A 53 16.999 -13.901 -7.890 1.00 2.10 H new ATOM 0 HZ3 TRP A 53 17.938 -14.912 -11.939 1.00 24.20 H new ATOM 0 HH2 TRP A 53 18.447 -15.014 -9.533 1.00 64.23 H new ATOM 846 N PHE A 54 11.885 -14.472 -11.338 1.00 25.52 N ATOM 847 CA PHE A 54 11.651 -15.600 -10.444 1.00 20.35 C ATOM 848 C PHE A 54 11.216 -16.835 -11.228 1.00 12.23 C ATOM 849 O PHE A 54 11.110 -17.930 -10.675 1.00 1.35 O ATOM 850 CB PHE A 54 10.587 -15.241 -9.404 1.00 24.52 C ATOM 851 CG PHE A 54 10.221 -16.385 -8.502 1.00 33.30 C ATOM 852 CD1 PHE A 54 11.095 -16.816 -7.517 1.00 14.44 C ATOM 853 CD2 PHE A 54 9.002 -17.031 -8.640 1.00 44.50 C ATOM 854 CE1 PHE A 54 10.760 -17.868 -6.685 1.00 2.42 C ATOM 855 CE2 PHE A 54 8.662 -18.083 -7.811 1.00 4.31 C ATOM 856 CZ PHE A 54 9.543 -18.503 -6.833 1.00 12.40 C ATOM 0 H PHE A 54 11.176 -13.740 -11.288 1.00 25.52 H new ATOM 0 HA PHE A 54 12.587 -15.827 -9.933 1.00 20.35 H new ATOM 0 HB2 PHE A 54 10.949 -14.411 -8.797 1.00 24.52 H new ATOM 0 HB3 PHE A 54 9.691 -14.893 -9.918 1.00 24.52 H new ATOM 0 HD1 PHE A 54 12.049 -16.324 -7.398 1.00 14.44 H new ATOM 0 HD2 PHE A 54 8.310 -16.708 -9.404 1.00 44.50 H new ATOM 0 HE1 PHE A 54 11.450 -18.193 -5.920 1.00 2.42 H new ATOM 0 HE2 PHE A 54 7.708 -18.576 -7.927 1.00 4.31 H new ATOM 0 HZ PHE A 54 9.280 -19.326 -6.186 1.00 12.40 H new ATOM 866 N TYR A 55 10.964 -16.650 -12.519 1.00 2.43 N ATOM 867 CA TYR A 55 10.537 -17.747 -13.379 1.00 44.43 C ATOM 868 C TYR A 55 11.675 -18.200 -14.288 1.00 64.34 C ATOM 869 O TYR A 55 11.659 -19.312 -14.815 1.00 50.12 O ATOM 870 CB TYR A 55 9.334 -17.322 -14.223 1.00 20.32 C ATOM 871 CG TYR A 55 9.012 -18.284 -15.345 1.00 13.45 C ATOM 872 CD1 TYR A 55 9.630 -18.169 -16.583 1.00 62.33 C ATOM 873 CD2 TYR A 55 8.089 -19.307 -15.165 1.00 0.11 C ATOM 874 CE1 TYR A 55 9.338 -19.045 -17.611 1.00 40.10 C ATOM 875 CE2 TYR A 55 7.792 -20.188 -16.187 1.00 32.15 C ATOM 876 CZ TYR A 55 8.418 -20.053 -17.408 1.00 4.32 C ATOM 877 OH TYR A 55 8.126 -20.928 -18.429 1.00 13.24 O ATOM 0 H TYR A 55 11.048 -15.751 -12.993 1.00 2.43 H new ATOM 0 HA TYR A 55 10.249 -18.584 -12.743 1.00 44.43 H new ATOM 0 HB2 TYR A 55 8.462 -17.227 -13.576 1.00 20.32 H new ATOM 0 HB3 TYR A 55 9.527 -16.336 -14.645 1.00 20.32 H new ATOM 0 HD1 TYR A 55 10.351 -17.382 -16.745 1.00 62.33 H new ATOM 0 HD2 TYR A 55 7.596 -19.415 -14.210 1.00 0.11 H new ATOM 0 HE1 TYR A 55 9.827 -18.941 -18.568 1.00 40.10 H new ATOM 0 HE2 TYR A 55 7.073 -20.979 -16.030 1.00 32.15 H new ATOM 0 HH TYR A 55 7.460 -21.578 -18.122 1.00 13.24 H new ATOM 887 N GLY A 56 12.664 -17.330 -14.467 1.00 45.32 N ATOM 888 CA GLY A 56 13.798 -17.658 -15.312 1.00 52.21 C ATOM 889 C GLY A 56 14.832 -18.500 -14.593 1.00 25.51 C ATOM 890 O GLY A 56 15.837 -18.901 -15.183 1.00 34.51 O ATOM 0 H GLY A 56 12.700 -16.404 -14.042 1.00 45.32 H new ATOM 0 HA2 GLY A 56 13.447 -18.194 -16.194 1.00 52.21 H new ATOM 0 HA3 GLY A 56 14.264 -16.737 -15.663 1.00 52.21 H new ATOM 894 N LEU A 57 14.590 -18.769 -13.315 1.00 13.12 N ATOM 895 CA LEU A 57 15.509 -19.568 -12.513 1.00 23.32 C ATOM 896 C LEU A 57 15.272 -21.059 -12.736 1.00 3.51 C ATOM 897 O LEU A 57 14.148 -21.506 -12.962 1.00 60.25 O ATOM 898 CB LEU A 57 15.349 -19.231 -11.029 1.00 72.33 C ATOM 899 CG LEU A 57 15.655 -17.787 -10.632 1.00 44.23 C ATOM 900 CD1 LEU A 57 14.928 -17.421 -9.348 1.00 5.44 C ATOM 901 CD2 LEU A 57 17.155 -17.584 -10.475 1.00 3.11 C ATOM 0 H LEU A 57 13.764 -18.445 -12.812 1.00 13.12 H new ATOM 0 HA LEU A 57 16.526 -19.330 -12.826 1.00 23.32 H new ATOM 0 HB2 LEU A 57 14.325 -19.459 -10.734 1.00 72.33 H new ATOM 0 HB3 LEU A 57 16.000 -19.890 -10.455 1.00 72.33 H new ATOM 0 HG LEU A 57 15.301 -17.129 -11.425 1.00 44.23 H new ATOM 0 HD11 LEU A 57 15.158 -16.390 -9.081 1.00 5.44 H new ATOM 0 HD12 LEU A 57 13.853 -17.527 -9.496 1.00 5.44 H new ATOM 0 HD13 LEU A 57 15.251 -18.084 -8.545 1.00 5.44 H new ATOM 0 HD21 LEU A 57 17.355 -16.550 -10.192 1.00 3.11 H new ATOM 0 HD22 LEU A 57 17.533 -18.252 -9.701 1.00 3.11 H new ATOM 0 HD23 LEU A 57 17.653 -17.804 -11.419 1.00 3.11 H new ATOM 913 N PRO A 58 16.355 -21.847 -12.669 1.00 4.23 N ATOM 914 CA PRO A 58 16.290 -23.299 -12.858 1.00 25.02 C ATOM 915 C PRO A 58 15.586 -24.003 -11.703 1.00 75.04 C ATOM 916 O PRO A 58 14.693 -24.823 -11.915 1.00 51.45 O ATOM 917 CB PRO A 58 17.762 -23.715 -12.919 1.00 3.11 C ATOM 918 CG PRO A 58 18.487 -22.656 -12.162 1.00 31.23 C ATOM 919 CD PRO A 58 17.727 -21.381 -12.402 1.00 72.33 C ATOM 0 HA PRO A 58 15.719 -23.569 -13.746 1.00 25.02 H new ATOM 0 HB2 PRO A 58 17.915 -24.697 -12.471 1.00 3.11 H new ATOM 0 HB3 PRO A 58 18.114 -23.776 -13.949 1.00 3.11 H new ATOM 0 HG2 PRO A 58 18.525 -22.893 -11.099 1.00 31.23 H new ATOM 0 HG3 PRO A 58 19.517 -22.567 -12.506 1.00 31.23 H new ATOM 0 HD2 PRO A 58 17.766 -20.721 -11.536 1.00 72.33 H new ATOM 0 HD3 PRO A 58 18.134 -20.824 -13.246 1.00 72.33 H new ATOM 927 N GLY A 59 15.992 -23.677 -10.480 1.00 65.12 N ATOM 928 CA GLY A 59 15.389 -24.287 -9.310 1.00 75.52 C ATOM 929 C GLY A 59 13.876 -24.192 -9.322 1.00 52.02 C ATOM 930 O GLY A 59 13.297 -23.498 -10.158 1.00 44.02 O ATOM 0 H GLY A 59 16.728 -23.001 -10.279 1.00 65.12 H new ATOM 0 HA2 GLY A 59 15.684 -25.335 -9.258 1.00 75.52 H new ATOM 0 HA3 GLY A 59 15.773 -23.803 -8.412 1.00 75.52 H new ATOM 934 N SER A 60 13.233 -24.892 -8.393 1.00 72.21 N ATOM 935 CA SER A 60 11.777 -24.888 -8.303 1.00 44.34 C ATOM 936 C SER A 60 11.323 -24.868 -6.847 1.00 71.21 C ATOM 937 O SER A 60 11.792 -25.657 -6.028 1.00 70.31 O ATOM 938 CB SER A 60 11.198 -26.112 -9.014 1.00 73.30 C ATOM 939 OG SER A 60 11.223 -27.251 -8.171 1.00 0.24 O ATOM 0 H SER A 60 13.697 -25.469 -7.692 1.00 72.21 H new ATOM 0 HA SER A 60 11.409 -23.986 -8.792 1.00 44.34 H new ATOM 0 HB2 SER A 60 10.173 -25.906 -9.322 1.00 73.30 H new ATOM 0 HB3 SER A 60 11.769 -26.314 -9.920 1.00 73.30 H new ATOM 0 HG SER A 60 10.846 -28.019 -8.648 1.00 0.24 H new ATOM 945 N GLY A 61 10.405 -23.959 -6.532 1.00 62.11 N ATOM 946 CA GLY A 61 9.902 -23.852 -5.175 1.00 71.41 C ATOM 947 C GLY A 61 10.981 -23.462 -4.185 1.00 44.24 C ATOM 948 O GLY A 61 11.697 -22.480 -4.390 1.00 55.04 O ATOM 0 H GLY A 61 10.001 -23.295 -7.192 1.00 62.11 H new ATOM 0 HA2 GLY A 61 9.102 -23.113 -5.145 1.00 71.41 H new ATOM 0 HA3 GLY A 61 9.467 -24.806 -4.876 1.00 71.41 H new ATOM 952 N LEU A 62 11.100 -24.230 -3.108 1.00 51.20 N ATOM 953 CA LEU A 62 12.100 -23.958 -2.081 1.00 35.12 C ATOM 954 C LEU A 62 13.502 -23.928 -2.680 1.00 71.40 C ATOM 955 O LEU A 62 14.416 -23.327 -2.118 1.00 13.35 O ATOM 956 CB LEU A 62 12.026 -25.015 -0.978 1.00 22.24 C ATOM 957 CG LEU A 62 10.894 -24.850 0.037 1.00 50.44 C ATOM 958 CD1 LEU A 62 9.590 -25.396 -0.525 1.00 3.42 C ATOM 959 CD2 LEU A 62 11.245 -25.542 1.345 1.00 32.14 C ATOM 0 H LEU A 62 10.517 -25.046 -2.923 1.00 51.20 H new ATOM 0 HA LEU A 62 11.888 -22.979 -1.652 1.00 35.12 H new ATOM 0 HB2 LEU A 62 11.926 -25.994 -1.447 1.00 22.24 H new ATOM 0 HB3 LEU A 62 12.973 -25.015 -0.439 1.00 22.24 H new ATOM 0 HG LEU A 62 10.763 -23.787 0.237 1.00 50.44 H new ATOM 0 HD11 LEU A 62 8.796 -25.270 0.211 1.00 3.42 H new ATOM 0 HD12 LEU A 62 9.331 -24.855 -1.435 1.00 3.42 H new ATOM 0 HD13 LEU A 62 9.708 -26.455 -0.754 1.00 3.42 H new ATOM 0 HD21 LEU A 62 10.428 -25.414 2.055 1.00 32.14 H new ATOM 0 HD22 LEU A 62 11.404 -26.605 1.163 1.00 32.14 H new ATOM 0 HD23 LEU A 62 12.155 -25.104 1.756 1.00 32.14 H new ATOM 971 N GLY A 63 13.664 -24.581 -3.827 1.00 71.01 N ATOM 972 CA GLY A 63 14.957 -24.615 -4.485 1.00 21.11 C ATOM 973 C GLY A 63 15.407 -23.244 -4.950 1.00 23.50 C ATOM 974 O GLY A 63 16.599 -22.935 -4.928 1.00 54.33 O ATOM 0 H GLY A 63 12.923 -25.087 -4.312 1.00 71.01 H new ATOM 0 HA2 GLY A 63 15.699 -25.025 -3.800 1.00 21.11 H new ATOM 0 HA3 GLY A 63 14.908 -25.288 -5.341 1.00 21.11 H new ATOM 978 N ARG A 64 14.453 -22.422 -5.373 1.00 41.02 N ATOM 979 CA ARG A 64 14.758 -21.078 -5.849 1.00 4.15 C ATOM 980 C ARG A 64 15.104 -20.155 -4.684 1.00 1.23 C ATOM 981 O ARG A 64 15.522 -19.014 -4.886 1.00 21.41 O ATOM 982 CB ARG A 64 13.573 -20.509 -6.630 1.00 13.32 C ATOM 983 CG ARG A 64 13.520 -20.969 -8.077 1.00 74.23 C ATOM 984 CD ARG A 64 12.267 -20.466 -8.776 1.00 55.35 C ATOM 985 NE ARG A 64 11.214 -21.477 -8.809 1.00 32.42 N ATOM 986 CZ ARG A 64 10.229 -21.485 -9.700 1.00 51.12 C ATOM 987 NH1 ARG A 64 10.163 -20.540 -10.628 1.00 13.02 N ATOM 988 NH2 ARG A 64 9.308 -22.439 -9.665 1.00 31.50 N ATOM 0 H ARG A 64 13.462 -22.663 -5.396 1.00 41.02 H new ATOM 0 HA ARG A 64 15.622 -21.141 -6.510 1.00 4.15 H new ATOM 0 HB2 ARG A 64 12.648 -20.798 -6.132 1.00 13.32 H new ATOM 0 HB3 ARG A 64 13.622 -19.420 -6.605 1.00 13.32 H new ATOM 0 HG2 ARG A 64 14.402 -20.610 -8.607 1.00 74.23 H new ATOM 0 HG3 ARG A 64 13.547 -22.058 -8.115 1.00 74.23 H new ATOM 0 HD2 ARG A 64 11.899 -19.576 -8.265 1.00 55.35 H new ATOM 0 HD3 ARG A 64 12.515 -20.168 -9.795 1.00 55.35 H new ATOM 0 HE ARG A 64 11.236 -22.218 -8.109 1.00 32.42 H new ATOM 0 HH11 ARG A 64 10.870 -19.805 -10.659 1.00 13.02 H new ATOM 0 HH12 ARG A 64 9.406 -20.548 -11.311 1.00 13.02 H new ATOM 0 HH21 ARG A 64 9.356 -23.168 -8.953 1.00 31.50 H new ATOM 0 HH22 ARG A 64 8.552 -22.444 -10.350 1.00 31.50 H new ATOM 1002 N ILE A 65 14.926 -20.656 -3.466 1.00 3.51 N ATOM 1003 CA ILE A 65 15.220 -19.876 -2.270 1.00 31.13 C ATOM 1004 C ILE A 65 16.704 -19.534 -2.187 1.00 33.22 C ATOM 1005 O ILE A 65 17.074 -18.428 -1.795 1.00 63.30 O ATOM 1006 CB ILE A 65 14.806 -20.629 -0.992 1.00 30.15 C ATOM 1007 CG1 ILE A 65 13.300 -20.901 -0.999 1.00 23.32 C ATOM 1008 CG2 ILE A 65 15.200 -19.833 0.243 1.00 13.54 C ATOM 1009 CD1 ILE A 65 12.459 -19.650 -0.875 1.00 24.10 C ATOM 0 H ILE A 65 14.580 -21.598 -3.282 1.00 3.51 H new ATOM 0 HA ILE A 65 14.641 -18.955 -2.344 1.00 31.13 H new ATOM 0 HB ILE A 65 15.329 -21.585 -0.966 1.00 30.15 H new ATOM 0 HG12 ILE A 65 13.036 -21.416 -1.923 1.00 23.32 H new ATOM 0 HG13 ILE A 65 13.057 -21.575 -0.178 1.00 23.32 H new ATOM 0 HG21 ILE A 65 14.901 -20.378 1.138 1.00 13.54 H new ATOM 0 HG22 ILE A 65 16.280 -19.686 0.252 1.00 13.54 H new ATOM 0 HG23 ILE A 65 14.702 -18.864 0.225 1.00 13.54 H new ATOM 0 HD11 ILE A 65 11.403 -19.919 -0.887 1.00 24.10 H new ATOM 0 HD12 ILE A 65 12.694 -19.145 0.062 1.00 24.10 H new ATOM 0 HD13 ILE A 65 12.673 -18.983 -1.710 1.00 24.10 H new ATOM 1021 N GLU A 66 17.548 -20.491 -2.560 1.00 73.03 N ATOM 1022 CA GLU A 66 18.992 -20.290 -2.529 1.00 14.11 C ATOM 1023 C GLU A 66 19.491 -19.722 -3.855 1.00 32.45 C ATOM 1024 O GLU A 66 20.608 -19.216 -3.943 1.00 64.03 O ATOM 1025 CB GLU A 66 19.706 -21.608 -2.225 1.00 30.44 C ATOM 1026 CG GLU A 66 19.506 -22.670 -3.293 1.00 41.35 C ATOM 1027 CD GLU A 66 20.699 -23.597 -3.425 1.00 52.24 C ATOM 1028 OE1 GLU A 66 21.605 -23.521 -2.570 1.00 24.44 O ATOM 1029 OE2 GLU A 66 20.726 -24.397 -4.384 1.00 0.14 O ATOM 0 H GLU A 66 17.257 -21.412 -2.887 1.00 73.03 H new ATOM 0 HA GLU A 66 19.217 -19.573 -1.739 1.00 14.11 H new ATOM 0 HB2 GLU A 66 20.773 -21.416 -2.111 1.00 30.44 H new ATOM 0 HB3 GLU A 66 19.348 -21.993 -1.270 1.00 30.44 H new ATOM 0 HG2 GLU A 66 18.619 -23.257 -3.055 1.00 41.35 H new ATOM 0 HG3 GLU A 66 19.319 -22.185 -4.251 1.00 41.35 H new ATOM 1036 N ASN A 67 18.653 -19.812 -4.883 1.00 24.13 N ATOM 1037 CA ASN A 67 19.009 -19.309 -6.205 1.00 3.05 C ATOM 1038 C ASN A 67 18.648 -17.833 -6.340 1.00 73.03 C ATOM 1039 O ASN A 67 19.506 -16.996 -6.617 1.00 4.03 O ATOM 1040 CB ASN A 67 18.300 -20.121 -7.290 1.00 65.32 C ATOM 1041 CG ASN A 67 18.818 -21.544 -7.379 1.00 4.22 C ATOM 1042 OD1 ASN A 67 19.972 -21.818 -7.047 1.00 72.10 O ATOM 1043 ND2 ASN A 67 17.965 -22.457 -7.829 1.00 5.14 N ATOM 0 H ASN A 67 17.724 -20.228 -4.826 1.00 24.13 H new ATOM 0 HA ASN A 67 20.087 -19.414 -6.329 1.00 3.05 H new ATOM 0 HB2 ASN A 67 17.230 -20.139 -7.085 1.00 65.32 H new ATOM 0 HB3 ASN A 67 18.432 -19.628 -8.253 1.00 65.32 H new ATOM 0 HD21 ASN A 67 18.257 -23.431 -7.911 1.00 5.14 H new ATOM 0 HD22 ASN A 67 17.018 -22.184 -8.093 1.00 5.14 H new ATOM 1050 N ALA A 68 17.371 -17.522 -6.143 1.00 53.23 N ATOM 1051 CA ALA A 68 16.896 -16.147 -6.241 1.00 34.21 C ATOM 1052 C ALA A 68 17.547 -15.265 -5.182 1.00 1.34 C ATOM 1053 O ALA A 68 18.156 -14.244 -5.500 1.00 64.00 O ATOM 1054 CB ALA A 68 15.380 -16.102 -6.109 1.00 45.14 C ATOM 0 H ALA A 68 16.647 -18.203 -5.915 1.00 53.23 H new ATOM 0 HA ALA A 68 17.176 -15.760 -7.221 1.00 34.21 H new ATOM 0 HB1 ALA A 68 15.039 -15.070 -6.184 1.00 45.14 H new ATOM 0 HB2 ALA A 68 14.928 -16.692 -6.906 1.00 45.14 H new ATOM 0 HB3 ALA A 68 15.087 -16.512 -5.143 1.00 45.14 H new ATOM 1060 N MET A 69 17.414 -15.664 -3.921 1.00 74.43 N ATOM 1061 CA MET A 69 17.990 -14.909 -2.815 1.00 63.02 C ATOM 1062 C MET A 69 19.468 -14.624 -3.064 1.00 10.42 C ATOM 1063 O MET A 69 19.920 -13.486 -2.937 1.00 33.52 O ATOM 1064 CB MET A 69 17.821 -15.676 -1.502 1.00 72.14 C ATOM 1065 CG MET A 69 18.290 -14.902 -0.281 1.00 65.23 C ATOM 1066 SD MET A 69 18.872 -15.979 1.043 1.00 74.54 S ATOM 1067 CE MET A 69 17.325 -16.679 1.614 1.00 53.14 C ATOM 0 H MET A 69 16.912 -16.506 -3.640 1.00 74.43 H new ATOM 0 HA MET A 69 17.461 -13.959 -2.742 1.00 63.02 H new ATOM 0 HB2 MET A 69 16.770 -15.936 -1.375 1.00 72.14 H new ATOM 0 HB3 MET A 69 18.376 -16.612 -1.564 1.00 72.14 H new ATOM 0 HG2 MET A 69 19.092 -14.224 -0.572 1.00 65.23 H new ATOM 0 HG3 MET A 69 17.471 -14.286 0.091 1.00 65.23 H new ATOM 0 HE1 MET A 69 17.394 -16.893 2.680 1.00 53.14 H new ATOM 0 HE2 MET A 69 16.517 -15.968 1.439 1.00 53.14 H new ATOM 0 HE3 MET A 69 17.121 -17.602 1.071 1.00 53.14 H new ATOM 1077 N ASN A 70 20.216 -15.664 -3.418 1.00 54.22 N ATOM 1078 CA ASN A 70 21.643 -15.524 -3.684 1.00 32.23 C ATOM 1079 C ASN A 70 21.892 -14.524 -4.808 1.00 54.15 C ATOM 1080 O ASN A 70 22.977 -13.955 -4.917 1.00 23.10 O ATOM 1081 CB ASN A 70 22.250 -16.880 -4.048 1.00 70.45 C ATOM 1082 CG ASN A 70 23.718 -16.777 -4.416 1.00 14.31 C ATOM 1083 OD1 ASN A 70 24.065 -16.330 -5.509 1.00 62.12 O ATOM 1084 ND2 ASN A 70 24.587 -17.191 -3.501 1.00 50.43 N ATOM 0 H ASN A 70 19.858 -16.613 -3.527 1.00 54.22 H new ATOM 0 HA ASN A 70 22.121 -15.151 -2.778 1.00 32.23 H new ATOM 0 HB2 ASN A 70 22.136 -17.563 -3.206 1.00 70.45 H new ATOM 0 HB3 ASN A 70 21.698 -17.309 -4.884 1.00 70.45 H new ATOM 0 HD21 ASN A 70 25.588 -17.146 -3.691 1.00 50.43 H new ATOM 0 HD22 ASN A 70 24.253 -17.554 -2.608 1.00 50.43 H new ATOM 1091 N GLU A 71 20.878 -14.315 -5.642 1.00 55.13 N ATOM 1092 CA GLU A 71 20.987 -13.383 -6.759 1.00 21.42 C ATOM 1093 C GLU A 71 20.631 -11.966 -6.321 1.00 54.54 C ATOM 1094 O GLU A 71 21.397 -11.027 -6.538 1.00 45.31 O ATOM 1095 CB GLU A 71 20.074 -13.819 -7.907 1.00 24.30 C ATOM 1096 CG GLU A 71 20.796 -13.966 -9.236 1.00 41.31 C ATOM 1097 CD GLU A 71 20.581 -12.776 -10.151 1.00 53.11 C ATOM 1098 OE1 GLU A 71 19.453 -12.239 -10.172 1.00 64.44 O ATOM 1099 OE2 GLU A 71 21.541 -12.381 -10.846 1.00 33.22 O ATOM 0 H GLU A 71 19.972 -14.778 -5.566 1.00 55.13 H new ATOM 0 HA GLU A 71 22.021 -13.389 -7.105 1.00 21.42 H new ATOM 0 HB2 GLU A 71 19.608 -14.770 -7.649 1.00 24.30 H new ATOM 0 HB3 GLU A 71 19.271 -13.091 -8.018 1.00 24.30 H new ATOM 0 HG2 GLU A 71 21.863 -14.091 -9.054 1.00 41.31 H new ATOM 0 HG3 GLU A 71 20.450 -14.871 -9.735 1.00 41.31 H new ATOM 1106 N ILE A 72 19.462 -11.819 -5.706 1.00 3.23 N ATOM 1107 CA ILE A 72 19.004 -10.517 -5.238 1.00 4.44 C ATOM 1108 C ILE A 72 19.866 -10.013 -4.085 1.00 1.41 C ATOM 1109 O ILE A 72 19.876 -8.820 -3.779 1.00 65.33 O ATOM 1110 CB ILE A 72 17.534 -10.568 -4.781 1.00 5.33 C ATOM 1111 CG1 ILE A 72 16.641 -11.065 -5.919 1.00 12.51 C ATOM 1112 CG2 ILE A 72 17.080 -9.196 -4.303 1.00 63.43 C ATOM 1113 CD1 ILE A 72 16.770 -10.251 -7.188 1.00 11.04 C ATOM 0 H ILE A 72 18.815 -12.586 -5.520 1.00 3.23 H new ATOM 0 HA ILE A 72 19.090 -9.831 -6.080 1.00 4.44 H new ATOM 0 HB ILE A 72 17.451 -11.266 -3.948 1.00 5.33 H new ATOM 0 HG12 ILE A 72 16.888 -12.104 -6.137 1.00 12.51 H new ATOM 0 HG13 ILE A 72 15.602 -11.047 -5.589 1.00 12.51 H new ATOM 0 HG21 ILE A 72 16.039 -9.248 -3.983 1.00 63.43 H new ATOM 0 HG22 ILE A 72 17.701 -8.878 -3.466 1.00 63.43 H new ATOM 0 HG23 ILE A 72 17.174 -8.478 -5.117 1.00 63.43 H new ATOM 0 HD11 ILE A 72 16.109 -10.660 -7.952 1.00 11.04 H new ATOM 0 HD12 ILE A 72 16.494 -9.216 -6.986 1.00 11.04 H new ATOM 0 HD13 ILE A 72 17.800 -10.290 -7.542 1.00 11.04 H new ATOM 1125 N SER A 73 20.589 -10.929 -3.449 1.00 45.14 N ATOM 1126 CA SER A 73 21.454 -10.578 -2.329 1.00 32.15 C ATOM 1127 C SER A 73 22.900 -10.420 -2.787 1.00 4.32 C ATOM 1128 O SER A 73 23.801 -10.207 -1.974 1.00 74.44 O ATOM 1129 CB SER A 73 21.367 -11.646 -1.236 1.00 52.23 C ATOM 1130 OG SER A 73 21.804 -11.136 0.011 1.00 4.13 O ATOM 0 H SER A 73 20.593 -11.920 -3.690 1.00 45.14 H new ATOM 0 HA SER A 73 21.114 -9.625 -1.924 1.00 32.15 H new ATOM 0 HB2 SER A 73 20.339 -11.998 -1.148 1.00 52.23 H new ATOM 0 HB3 SER A 73 21.976 -12.506 -1.514 1.00 52.23 H new ATOM 0 HG SER A 73 22.640 -10.640 -0.113 1.00 4.13 H new ATOM 1136 N ARG A 74 23.115 -10.525 -4.094 1.00 41.11 N ATOM 1137 CA ARG A 74 24.452 -10.395 -4.662 1.00 13.13 C ATOM 1138 C ARG A 74 25.128 -9.117 -4.174 1.00 13.14 C ATOM 1139 O ARG A 74 26.201 -9.161 -3.572 1.00 71.52 O ATOM 1140 CB ARG A 74 24.382 -10.396 -6.190 1.00 23.21 C ATOM 1141 CG ARG A 74 24.507 -11.781 -6.804 1.00 52.11 C ATOM 1142 CD ARG A 74 25.863 -11.978 -7.462 1.00 63.44 C ATOM 1143 NE ARG A 74 26.476 -13.249 -7.083 1.00 1.41 N ATOM 1144 CZ ARG A 74 27.097 -13.448 -5.926 1.00 31.24 C ATOM 1145 NH1 ARG A 74 27.186 -12.466 -5.039 1.00 63.14 N ATOM 1146 NH2 ARG A 74 27.630 -14.632 -5.653 1.00 34.53 N ATOM 0 H ARG A 74 22.381 -10.700 -4.780 1.00 41.11 H new ATOM 0 HA ARG A 74 25.045 -11.248 -4.332 1.00 13.13 H new ATOM 0 HB2 ARG A 74 23.436 -9.953 -6.502 1.00 23.21 H new ATOM 0 HB3 ARG A 74 25.176 -9.761 -6.582 1.00 23.21 H new ATOM 0 HG2 ARG A 74 24.363 -12.537 -6.032 1.00 52.11 H new ATOM 0 HG3 ARG A 74 23.719 -11.925 -7.543 1.00 52.11 H new ATOM 0 HD2 ARG A 74 25.749 -11.939 -8.545 1.00 63.44 H new ATOM 0 HD3 ARG A 74 26.525 -11.158 -7.181 1.00 63.44 H new ATOM 0 HE ARG A 74 26.424 -14.025 -7.743 1.00 1.41 H new ATOM 0 HH11 ARG A 74 26.777 -11.555 -5.244 1.00 63.14 H new ATOM 0 HH12 ARG A 74 27.664 -12.622 -4.151 1.00 63.14 H new ATOM 0 HH21 ARG A 74 27.563 -15.390 -6.332 1.00 34.53 H new ATOM 0 HH22 ARG A 74 28.107 -14.784 -4.764 1.00 34.53 H new ATOM 1160 N ARG A 75 24.492 -7.980 -4.437 1.00 44.24 N ATOM 1161 CA ARG A 75 25.033 -6.690 -4.027 1.00 1.43 C ATOM 1162 C ARG A 75 24.549 -6.317 -2.628 1.00 70.54 C ATOM 1163 O ARG A 75 23.498 -5.698 -2.470 1.00 52.41 O ATOM 1164 CB ARG A 75 24.629 -5.602 -5.024 1.00 72.42 C ATOM 1165 CG ARG A 75 25.565 -4.405 -5.033 1.00 21.21 C ATOM 1166 CD ARG A 75 26.307 -4.287 -6.355 1.00 75.54 C ATOM 1167 NE ARG A 75 27.628 -4.906 -6.299 1.00 4.22 N ATOM 1168 CZ ARG A 75 28.691 -4.321 -5.757 1.00 13.12 C ATOM 1169 NH1 ARG A 75 28.587 -3.110 -5.227 1.00 52.11 N ATOM 1170 NH2 ARG A 75 29.860 -4.948 -5.743 1.00 41.23 N ATOM 0 H ARG A 75 23.602 -7.926 -4.932 1.00 44.24 H new ATOM 0 HA ARG A 75 26.120 -6.770 -4.008 1.00 1.43 H new ATOM 0 HB2 ARG A 75 24.595 -6.033 -6.025 1.00 72.42 H new ATOM 0 HB3 ARG A 75 23.621 -5.262 -4.789 1.00 72.42 H new ATOM 0 HG2 ARG A 75 24.994 -3.494 -4.853 1.00 21.21 H new ATOM 0 HG3 ARG A 75 26.283 -4.498 -4.218 1.00 21.21 H new ATOM 0 HD2 ARG A 75 25.720 -4.757 -7.143 1.00 75.54 H new ATOM 0 HD3 ARG A 75 26.411 -3.235 -6.620 1.00 75.54 H new ATOM 0 HE ARG A 75 27.741 -5.838 -6.698 1.00 4.22 H new ATOM 0 HH11 ARG A 75 27.690 -2.625 -5.235 1.00 52.11 H new ATOM 0 HH12 ARG A 75 29.404 -2.663 -4.812 1.00 52.11 H new ATOM 0 HH21 ARG A 75 29.944 -5.880 -6.149 1.00 41.23 H new ATOM 0 HH22 ARG A 75 30.675 -4.498 -5.327 1.00 41.23 H new ATOM 1184 N GLU A 76 25.323 -6.701 -1.618 1.00 2.00 N ATOM 1185 CA GLU A 76 24.972 -6.408 -0.233 1.00 73.34 C ATOM 1186 C GLU A 76 25.628 -5.112 0.232 1.00 4.03 C ATOM 1187 O GLU A 76 26.634 -4.677 -0.328 1.00 32.35 O ATOM 1188 CB GLU A 76 25.394 -7.563 0.678 1.00 14.31 C ATOM 1189 CG GLU A 76 26.898 -7.683 0.851 1.00 3.34 C ATOM 1190 CD GLU A 76 27.308 -8.989 1.504 1.00 41.22 C ATOM 1191 OE1 GLU A 76 26.411 -9.755 1.913 1.00 64.43 O ATOM 1192 OE2 GLU A 76 28.527 -9.244 1.605 1.00 55.01 O ATOM 0 H GLU A 76 26.196 -7.215 -1.732 1.00 2.00 H new ATOM 0 HA GLU A 76 23.890 -6.287 -0.177 1.00 73.34 H new ATOM 0 HB2 GLU A 76 24.934 -7.429 1.657 1.00 14.31 H new ATOM 0 HB3 GLU A 76 25.008 -8.497 0.269 1.00 14.31 H new ATOM 0 HG2 GLU A 76 27.380 -7.601 -0.123 1.00 3.34 H new ATOM 0 HG3 GLU A 76 27.258 -6.850 1.455 1.00 3.34 H new ATOM 1199 N ASN A 77 25.051 -4.499 1.261 1.00 70.42 N ATOM 1200 CA ASN A 77 25.579 -3.252 1.802 1.00 73.12 C ATOM 1201 C ASN A 77 25.259 -3.126 3.288 1.00 4.33 C ATOM 1202 O ASN A 77 24.465 -2.285 3.709 1.00 54.44 O ATOM 1203 CB ASN A 77 25.001 -2.057 1.041 1.00 14.02 C ATOM 1204 CG ASN A 77 25.859 -1.656 -0.143 1.00 54.51 C ATOM 1205 OD1 ASN A 77 27.035 -1.328 0.011 1.00 24.43 O ATOM 1206 ND2 ASN A 77 25.271 -1.678 -1.334 1.00 23.52 N ATOM 0 H ASN A 77 24.218 -4.846 1.737 1.00 70.42 H new ATOM 0 HA ASN A 77 26.662 -3.262 1.681 1.00 73.12 H new ATOM 0 HB2 ASN A 77 23.998 -2.302 0.693 1.00 14.02 H new ATOM 0 HB3 ASN A 77 24.904 -1.210 1.720 1.00 14.02 H new ATOM 0 HD21 ASN A 77 25.797 -1.416 -2.168 1.00 23.52 H new ATOM 0 HD22 ASN A 77 24.293 -1.957 -1.415 1.00 23.52 H new ATOM 1213 N PRO A 78 25.894 -3.981 4.104 1.00 15.45 N ATOM 1214 CA PRO A 78 25.694 -3.984 5.557 1.00 42.12 C ATOM 1215 C PRO A 78 26.289 -2.750 6.226 1.00 5.04 C ATOM 1216 O PRO A 78 26.159 -2.565 7.436 1.00 0.14 O ATOM 1217 CB PRO A 78 26.429 -5.247 6.013 1.00 43.22 C ATOM 1218 CG PRO A 78 27.460 -5.485 4.964 1.00 3.50 C ATOM 1219 CD PRO A 78 26.854 -5.009 3.672 1.00 23.44 C ATOM 0 HA PRO A 78 24.637 -3.970 5.824 1.00 42.12 H new ATOM 0 HB2 PRO A 78 26.886 -5.107 6.993 1.00 43.22 H new ATOM 0 HB3 PRO A 78 25.747 -6.093 6.097 1.00 43.22 H new ATOM 0 HG2 PRO A 78 28.378 -4.941 5.188 1.00 3.50 H new ATOM 0 HG3 PRO A 78 27.722 -6.542 4.906 1.00 3.50 H new ATOM 0 HD2 PRO A 78 27.609 -4.598 3.002 1.00 23.44 H new ATOM 0 HD3 PRO A 78 26.360 -5.820 3.137 1.00 23.44 H new TER 1227 PRO A 78