USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 THR OG1 : rot 119:sc= 0.816 USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0.921 USER MOD Set 2.1: A 11 LYS NZ :NH3+ 157:sc= 0.124 (180deg=0) USER MOD Set 2.2: A 73 HIS : no HE2:sc= -2.05 X(o=-1.9,f=-2.2) USER MOD Single : A 1 GLY N :NH3+ -129:sc= -0.14 (180deg=-1.45) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 149:sc= -0.692 (180deg=-2.12!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0637 USER MOD Single : A 19 THR OG1 : rot -83:sc= 1.18 USER MOD Single : A 24 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.014) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 150:sc= -0.18 (180deg=-0.886) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= -0.0349 (180deg=-0.0944) USER MOD Single : A 45 GLN : amide:sc= -2.46 K(o=-2.5,f=-3.7!) USER MOD Single : A 46 GLN : amide:sc= -4.28 K(o=-4.3,f=-6.7!) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.152 (180deg=-0.597) USER MOD Single : A 54 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.66) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 61 MET CE :methyl -145:sc= -4.78! (180deg=-7.84!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.39) USER MOD Single : A 67 GLN : amide:sc= -3.32 K(o=-3.3,f=-5.3!) USER MOD Single : A 68 LYS NZ :NH3+ 156:sc= -0.2 (180deg=-0.749) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0124 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0265 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.895 -5.399 -4.914 1.00 4.45 N ATOM 2 CA GLY A 1 -7.708 -4.184 -4.141 1.00 32.31 C ATOM 3 C GLY A 1 -6.451 -3.434 -4.534 1.00 22.41 C ATOM 4 O GLY A 1 -5.480 -3.370 -3.780 1.00 44.00 O ATOM 0 H1 GLY A 1 -8.857 -5.414 -5.309 1.00 4.45 H new ATOM 0 H2 GLY A 1 -7.202 -5.428 -5.689 1.00 4.45 H new ATOM 0 H3 GLY A 1 -7.761 -6.226 -4.298 1.00 4.45 H new ATOM 0 HA2 GLY A 1 -8.572 -3.534 -4.277 1.00 32.31 H new ATOM 0 HA3 GLY A 1 -7.661 -4.435 -3.081 1.00 32.31 H new ATOM 8 N PRO A 2 -6.458 -2.851 -5.742 1.00 20.51 N ATOM 9 CA PRO A 2 -5.316 -2.093 -6.262 1.00 13.15 C ATOM 10 C PRO A 2 -5.108 -0.777 -5.519 1.00 74.24 C ATOM 11 O PRO A 2 -5.823 -0.472 -4.564 1.00 1.04 O ATOM 12 CB PRO A 2 -5.700 -1.830 -7.720 1.00 4.41 C ATOM 13 CG PRO A 2 -7.189 -1.876 -7.735 1.00 24.34 C ATOM 14 CD PRO A 2 -7.581 -2.888 -6.693 1.00 54.52 C ATOM 0 HA PRO A 2 -4.378 -2.636 -6.146 1.00 13.15 H new ATOM 0 HB2 PRO A 2 -5.331 -0.862 -8.058 1.00 4.41 H new ATOM 0 HB3 PRO A 2 -5.274 -2.583 -8.383 1.00 4.41 H new ATOM 0 HG2 PRO A 2 -7.612 -0.898 -7.508 1.00 24.34 H new ATOM 0 HG3 PRO A 2 -7.561 -2.164 -8.718 1.00 24.34 H new ATOM 0 HD2 PRO A 2 -8.523 -2.625 -6.212 1.00 54.52 H new ATOM 0 HD3 PRO A 2 -7.709 -3.881 -7.125 1.00 54.52 H new ATOM 22 N LEU A 3 -4.127 -0.001 -5.965 1.00 3.11 N ATOM 23 CA LEU A 3 -3.825 1.284 -5.343 1.00 30.31 C ATOM 24 C LEU A 3 -3.705 2.383 -6.394 1.00 21.32 C ATOM 25 O LEU A 3 -3.364 2.119 -7.546 1.00 52.22 O ATOM 26 CB LEU A 3 -2.529 1.190 -4.536 1.00 42.10 C ATOM 27 CG LEU A 3 -2.679 1.248 -3.015 1.00 71.34 C ATOM 28 CD1 LEU A 3 -2.660 -0.153 -2.424 1.00 33.13 C ATOM 29 CD2 LEU A 3 -1.579 2.102 -2.403 1.00 11.32 C ATOM 0 H LEU A 3 -3.527 -0.239 -6.755 1.00 3.11 H new ATOM 0 HA LEU A 3 -4.646 1.537 -4.672 1.00 30.31 H new ATOM 0 HB2 LEU A 3 -2.029 0.257 -4.796 1.00 42.10 H new ATOM 0 HB3 LEU A 3 -1.871 2.001 -4.847 1.00 42.10 H new ATOM 0 HG LEU A 3 -3.640 1.706 -2.781 1.00 71.34 H new ATOM 0 HD11 LEU A 3 -2.768 -0.093 -1.341 1.00 33.13 H new ATOM 0 HD12 LEU A 3 -3.484 -0.734 -2.839 1.00 33.13 H new ATOM 0 HD13 LEU A 3 -1.715 -0.638 -2.668 1.00 33.13 H new ATOM 0 HD21 LEU A 3 -1.702 2.132 -1.320 1.00 11.32 H new ATOM 0 HD22 LEU A 3 -0.607 1.673 -2.646 1.00 11.32 H new ATOM 0 HD23 LEU A 3 -1.639 3.114 -2.803 1.00 11.32 H new ATOM 41 N GLY A 4 -3.985 3.617 -5.987 1.00 15.11 N ATOM 42 CA GLY A 4 -3.901 4.738 -6.905 1.00 11.02 C ATOM 43 C GLY A 4 -5.136 4.870 -7.774 1.00 62.31 C ATOM 44 O GLY A 4 -6.260 4.721 -7.295 1.00 3.04 O ATOM 0 H GLY A 4 -4.269 3.861 -5.038 1.00 15.11 H new ATOM 0 HA2 GLY A 4 -3.760 5.658 -6.338 1.00 11.02 H new ATOM 0 HA3 GLY A 4 -3.024 4.618 -7.541 1.00 11.02 H new ATOM 48 N SER A 5 -4.928 5.151 -9.056 1.00 44.24 N ATOM 49 CA SER A 5 -6.033 5.309 -9.994 1.00 34.42 C ATOM 50 C SER A 5 -6.923 6.482 -9.593 1.00 22.43 C ATOM 51 O SER A 5 -6.816 7.004 -8.484 1.00 13.23 O ATOM 52 CB SER A 5 -6.862 4.024 -10.058 1.00 51.21 C ATOM 53 OG SER A 5 -6.824 3.457 -11.356 1.00 53.33 O ATOM 0 H SER A 5 -4.004 5.274 -9.469 1.00 44.24 H new ATOM 0 HA SER A 5 -5.615 5.513 -10.980 1.00 34.42 H new ATOM 0 HB2 SER A 5 -6.481 3.305 -9.332 1.00 51.21 H new ATOM 0 HB3 SER A 5 -7.894 4.239 -9.782 1.00 51.21 H new ATOM 0 HG SER A 5 -7.360 2.636 -11.370 1.00 53.33 H new ATOM 59 N MET A 6 -7.800 6.890 -10.504 1.00 22.40 N ATOM 60 CA MET A 6 -8.709 8.000 -10.246 1.00 11.04 C ATOM 61 C MET A 6 -10.032 7.801 -10.978 1.00 34.12 C ATOM 62 O MET A 6 -10.260 6.760 -11.593 1.00 70.13 O ATOM 63 CB MET A 6 -8.069 9.322 -10.675 1.00 32.32 C ATOM 64 CG MET A 6 -7.267 9.219 -11.962 1.00 20.31 C ATOM 65 SD MET A 6 -5.524 8.865 -11.667 1.00 44.43 S ATOM 66 CE MET A 6 -4.759 10.328 -12.363 1.00 54.24 C ATOM 0 H MET A 6 -7.900 6.468 -11.427 1.00 22.40 H new ATOM 0 HA MET A 6 -8.908 8.032 -9.175 1.00 11.04 H new ATOM 0 HB2 MET A 6 -8.851 10.070 -10.803 1.00 32.32 H new ATOM 0 HB3 MET A 6 -7.416 9.676 -9.877 1.00 32.32 H new ATOM 0 HG2 MET A 6 -7.692 8.435 -12.589 1.00 20.31 H new ATOM 0 HG3 MET A 6 -7.355 10.153 -12.516 1.00 20.31 H new ATOM 0 HE1 MET A 6 -3.840 10.551 -11.821 1.00 54.24 H new ATOM 0 HE2 MET A 6 -4.528 10.153 -13.414 1.00 54.24 H new ATOM 0 HE3 MET A 6 -5.444 11.172 -12.278 1.00 54.24 H new ATOM 76 N GLN A 7 -10.900 8.805 -10.906 1.00 33.11 N ATOM 77 CA GLN A 7 -12.201 8.738 -11.562 1.00 0.04 C ATOM 78 C GLN A 7 -12.551 10.072 -12.213 1.00 72.44 C ATOM 79 O GLN A 7 -12.021 11.116 -11.835 1.00 44.51 O ATOM 80 CB GLN A 7 -13.284 8.349 -10.554 1.00 52.20 C ATOM 81 CG GLN A 7 -12.850 7.264 -9.582 1.00 3.42 C ATOM 82 CD GLN A 7 -13.875 7.010 -8.494 1.00 50.35 C ATOM 83 OE1 GLN A 7 -15.080 7.103 -8.728 1.00 35.00 O ATOM 84 NE2 GLN A 7 -13.401 6.687 -7.297 1.00 3.51 N ATOM 0 H GLN A 7 -10.726 9.674 -10.401 1.00 33.11 H new ATOM 0 HA GLN A 7 -12.149 7.977 -12.341 1.00 0.04 H new ATOM 0 HB2 GLN A 7 -13.578 9.234 -9.990 1.00 52.20 H new ATOM 0 HB3 GLN A 7 -14.167 8.008 -11.095 1.00 52.20 H new ATOM 0 HG2 GLN A 7 -12.672 6.339 -10.131 1.00 3.42 H new ATOM 0 HG3 GLN A 7 -11.903 7.550 -9.124 1.00 3.42 H new ATOM 0 HE21 GLN A 7 -12.394 6.621 -7.148 1.00 3.51 H new ATOM 0 HE22 GLN A 7 -14.044 6.504 -6.526 1.00 3.51 H new ATOM 93 N ILE A 8 -13.447 10.028 -13.194 1.00 44.11 N ATOM 94 CA ILE A 8 -13.868 11.233 -13.897 1.00 44.35 C ATOM 95 C ILE A 8 -15.388 11.334 -13.954 1.00 12.35 C ATOM 96 O ILE A 8 -16.093 10.334 -13.818 1.00 60.24 O ATOM 97 CB ILE A 8 -13.309 11.272 -15.332 1.00 44.20 C ATOM 98 CG1 ILE A 8 -12.467 10.025 -15.609 1.00 25.04 C ATOM 99 CG2 ILE A 8 -12.484 12.533 -15.545 1.00 61.21 C ATOM 100 CD1 ILE A 8 -12.044 9.889 -17.055 1.00 13.42 C ATOM 0 H ILE A 8 -13.895 9.171 -13.519 1.00 44.11 H new ATOM 0 HA ILE A 8 -13.470 12.079 -13.337 1.00 44.35 H new ATOM 0 HB ILE A 8 -14.145 11.286 -16.031 1.00 44.20 H new ATOM 0 HG12 ILE A 8 -11.577 10.050 -14.980 1.00 25.04 H new ATOM 0 HG13 ILE A 8 -13.036 9.141 -15.321 1.00 25.04 H new ATOM 0 HG21 ILE A 8 -12.096 12.546 -16.563 1.00 61.21 H new ATOM 0 HG22 ILE A 8 -13.111 13.410 -15.384 1.00 61.21 H new ATOM 0 HG23 ILE A 8 -11.653 12.548 -14.840 1.00 61.21 H new ATOM 0 HD11 ILE A 8 -11.451 8.983 -17.177 1.00 13.42 H new ATOM 0 HD12 ILE A 8 -12.929 9.831 -17.689 1.00 13.42 H new ATOM 0 HD13 ILE A 8 -11.447 10.755 -17.343 1.00 13.42 H new ATOM 112 N PHE A 9 -15.888 12.549 -14.155 1.00 60.14 N ATOM 113 CA PHE A 9 -17.326 12.781 -14.231 1.00 4.35 C ATOM 114 C PHE A 9 -17.737 13.193 -15.641 1.00 0.40 C ATOM 115 O PHE A 9 -17.195 14.144 -16.205 1.00 64.44 O ATOM 116 CB PHE A 9 -17.742 13.861 -13.230 1.00 12.13 C ATOM 117 CG PHE A 9 -18.346 13.310 -11.970 1.00 35.20 C ATOM 118 CD1 PHE A 9 -19.615 12.753 -11.981 1.00 31.24 C ATOM 119 CD2 PHE A 9 -17.646 13.349 -10.775 1.00 71.01 C ATOM 120 CE1 PHE A 9 -20.174 12.244 -10.823 1.00 51.22 C ATOM 121 CE2 PHE A 9 -18.200 12.842 -9.615 1.00 24.42 C ATOM 122 CZ PHE A 9 -19.466 12.290 -9.639 1.00 24.34 C ATOM 0 H PHE A 9 -15.319 13.388 -14.268 1.00 60.14 H new ATOM 0 HA PHE A 9 -17.833 11.849 -13.982 1.00 4.35 H new ATOM 0 HB2 PHE A 9 -16.870 14.462 -12.973 1.00 12.13 H new ATOM 0 HB3 PHE A 9 -18.460 14.529 -13.706 1.00 12.13 H new ATOM 0 HD1 PHE A 9 -20.174 12.716 -12.904 1.00 31.24 H new ATOM 0 HD2 PHE A 9 -16.656 13.780 -10.750 1.00 71.01 H new ATOM 0 HE1 PHE A 9 -21.163 11.811 -10.845 1.00 51.22 H new ATOM 0 HE2 PHE A 9 -17.643 12.877 -8.690 1.00 24.42 H new ATOM 0 HZ PHE A 9 -19.901 11.895 -8.733 1.00 24.34 H new ATOM 132 N VAL A 10 -18.700 12.471 -16.205 1.00 65.22 N ATOM 133 CA VAL A 10 -19.185 12.760 -17.549 1.00 41.42 C ATOM 134 C VAL A 10 -20.647 13.191 -17.524 1.00 51.34 C ATOM 135 O VAL A 10 -21.500 12.502 -16.964 1.00 2.41 O ATOM 136 CB VAL A 10 -19.037 11.538 -18.475 1.00 1.22 C ATOM 137 CG1 VAL A 10 -19.034 11.970 -19.933 1.00 45.13 C ATOM 138 CG2 VAL A 10 -17.772 10.764 -18.136 1.00 42.25 C ATOM 0 H VAL A 10 -19.160 11.681 -15.752 1.00 65.22 H new ATOM 0 HA VAL A 10 -18.575 13.576 -17.937 1.00 41.42 H new ATOM 0 HB VAL A 10 -19.891 10.879 -18.319 1.00 1.22 H new ATOM 0 HG11 VAL A 10 -18.929 11.093 -20.572 1.00 45.13 H new ATOM 0 HG12 VAL A 10 -19.971 12.477 -20.164 1.00 45.13 H new ATOM 0 HG13 VAL A 10 -18.200 12.650 -20.109 1.00 45.13 H new ATOM 0 HG21 VAL A 10 -17.683 9.904 -18.800 1.00 42.25 H new ATOM 0 HG22 VAL A 10 -16.904 11.411 -18.263 1.00 42.25 H new ATOM 0 HG23 VAL A 10 -17.821 10.421 -17.102 1.00 42.25 H new ATOM 148 N LYS A 11 -20.931 14.336 -18.136 1.00 71.03 N ATOM 149 CA LYS A 11 -22.291 14.860 -18.187 1.00 42.12 C ATOM 150 C LYS A 11 -22.886 14.695 -19.582 1.00 22.00 C ATOM 151 O LYS A 11 -22.432 15.322 -20.540 1.00 74.43 O ATOM 152 CB LYS A 11 -22.305 16.337 -17.786 1.00 75.05 C ATOM 153 CG LYS A 11 -23.622 17.035 -18.083 1.00 23.41 C ATOM 154 CD LYS A 11 -23.578 18.500 -17.684 1.00 14.04 C ATOM 155 CE LYS A 11 -23.180 19.385 -18.855 1.00 10.35 C ATOM 156 NZ LYS A 11 -23.337 20.831 -18.535 1.00 51.32 N ATOM 0 H LYS A 11 -20.237 14.919 -18.604 1.00 71.03 H new ATOM 0 HA LYS A 11 -22.899 14.293 -17.483 1.00 42.12 H new ATOM 0 HB2 LYS A 11 -22.093 16.418 -16.720 1.00 75.05 H new ATOM 0 HB3 LYS A 11 -21.502 16.855 -18.311 1.00 75.05 H new ATOM 0 HG2 LYS A 11 -23.847 16.953 -19.146 1.00 23.41 H new ATOM 0 HG3 LYS A 11 -24.429 16.535 -17.547 1.00 23.41 H new ATOM 0 HD2 LYS A 11 -24.555 18.806 -17.311 1.00 14.04 H new ATOM 0 HD3 LYS A 11 -22.869 18.635 -16.867 1.00 14.04 H new ATOM 0 HE2 LYS A 11 -22.144 19.184 -19.127 1.00 10.35 H new ATOM 0 HE3 LYS A 11 -23.791 19.136 -19.723 1.00 10.35 H new ATOM 0 HZ1 LYS A 11 -22.721 21.393 -19.157 1.00 51.32 H new ATOM 0 HZ2 LYS A 11 -24.327 21.113 -18.682 1.00 51.32 H new ATOM 0 HZ3 LYS A 11 -23.073 20.998 -17.543 1.00 51.32 H new ATOM 170 N THR A 12 -23.905 13.848 -19.689 1.00 52.33 N ATOM 171 CA THR A 12 -24.562 13.601 -20.967 1.00 13.35 C ATOM 172 C THR A 12 -25.429 14.786 -21.377 1.00 14.01 C ATOM 173 O THR A 12 -25.790 15.622 -20.547 1.00 5.01 O ATOM 174 CB THR A 12 -25.436 12.334 -20.913 1.00 15.22 C ATOM 175 OG1 THR A 12 -26.489 12.505 -19.957 1.00 40.21 O ATOM 176 CG2 THR A 12 -24.602 11.117 -20.544 1.00 34.33 C ATOM 0 H THR A 12 -24.293 13.322 -18.906 1.00 52.33 H new ATOM 0 HA THR A 12 -23.774 13.458 -21.706 1.00 13.35 H new ATOM 0 HB THR A 12 -25.866 12.174 -21.902 1.00 15.22 H new ATOM 0 HG1 THR A 12 -27.356 12.441 -20.410 1.00 40.21 H new ATOM 0 HG21 THR A 12 -25.241 10.234 -20.512 1.00 34.33 H new ATOM 0 HG22 THR A 12 -23.820 10.972 -21.289 1.00 34.33 H new ATOM 0 HG23 THR A 12 -24.147 11.271 -19.566 1.00 34.33 H new ATOM 184 N LEU A 13 -25.763 14.852 -22.661 1.00 44.51 N ATOM 185 CA LEU A 13 -26.589 15.936 -23.182 1.00 34.30 C ATOM 186 C LEU A 13 -27.943 15.974 -22.479 1.00 45.21 C ATOM 187 O LEU A 13 -28.638 16.991 -22.501 1.00 63.40 O ATOM 188 CB LEU A 13 -26.789 15.771 -24.690 1.00 14.34 C ATOM 189 CG LEU A 13 -27.448 16.947 -25.411 1.00 53.34 C ATOM 190 CD1 LEU A 13 -26.578 18.190 -25.312 1.00 3.21 C ATOM 191 CD2 LEU A 13 -27.716 16.597 -26.868 1.00 31.32 C ATOM 0 H LEU A 13 -25.475 14.168 -23.361 1.00 44.51 H new ATOM 0 HA LEU A 13 -26.074 16.877 -22.991 1.00 34.30 H new ATOM 0 HB2 LEU A 13 -25.817 15.589 -25.148 1.00 14.34 H new ATOM 0 HB3 LEU A 13 -27.394 14.881 -24.861 1.00 14.34 H new ATOM 0 HG LEU A 13 -28.402 17.156 -24.926 1.00 53.34 H new ATOM 0 HD11 LEU A 13 -27.064 19.016 -25.831 1.00 3.21 H new ATOM 0 HD12 LEU A 13 -26.437 18.453 -24.264 1.00 3.21 H new ATOM 0 HD13 LEU A 13 -25.609 17.993 -25.770 1.00 3.21 H new ATOM 0 HD21 LEU A 13 -28.185 17.446 -27.366 1.00 31.32 H new ATOM 0 HD22 LEU A 13 -26.775 16.360 -27.364 1.00 31.32 H new ATOM 0 HD23 LEU A 13 -28.380 15.734 -26.919 1.00 31.32 H new ATOM 203 N THR A 14 -28.311 14.860 -21.853 1.00 43.44 N ATOM 204 CA THR A 14 -29.580 14.767 -21.143 1.00 23.31 C ATOM 205 C THR A 14 -29.427 15.189 -19.686 1.00 64.02 C ATOM 206 O THR A 14 -30.345 15.028 -18.883 1.00 63.22 O ATOM 207 CB THR A 14 -30.148 13.336 -21.194 1.00 22.12 C ATOM 208 OG1 THR A 14 -29.141 12.395 -20.803 1.00 53.04 O ATOM 209 CG2 THR A 14 -30.647 13.001 -22.591 1.00 52.32 C ATOM 0 H THR A 14 -27.748 14.010 -21.824 1.00 43.44 H new ATOM 0 HA THR A 14 -30.273 15.443 -21.644 1.00 23.31 H new ATOM 0 HB THR A 14 -30.988 13.277 -20.502 1.00 22.12 H new ATOM 0 HG1 THR A 14 -29.510 11.488 -20.836 1.00 53.04 H new ATOM 0 HG21 THR A 14 -31.043 11.986 -22.602 1.00 52.32 H new ATOM 0 HG22 THR A 14 -31.433 13.701 -22.874 1.00 52.32 H new ATOM 0 HG23 THR A 14 -29.822 13.076 -23.300 1.00 52.32 H new ATOM 217 N GLY A 15 -28.260 15.732 -19.351 1.00 62.53 N ATOM 218 CA GLY A 15 -28.008 16.169 -17.991 1.00 14.23 C ATOM 219 C GLY A 15 -27.898 15.010 -17.020 1.00 13.41 C ATOM 220 O GLY A 15 -28.627 14.949 -16.029 1.00 64.10 O ATOM 0 H GLY A 15 -27.485 15.877 -19.998 1.00 62.53 H new ATOM 0 HA2 GLY A 15 -27.086 16.750 -17.964 1.00 14.23 H new ATOM 0 HA3 GLY A 15 -28.812 16.832 -17.671 1.00 14.23 H new ATOM 224 N LYS A 16 -26.986 14.087 -17.304 1.00 52.03 N ATOM 225 CA LYS A 16 -26.782 12.923 -16.450 1.00 15.33 C ATOM 226 C LYS A 16 -25.337 12.848 -15.969 1.00 21.23 C ATOM 227 O LYS A 16 -24.408 12.755 -16.772 1.00 20.32 O ATOM 228 CB LYS A 16 -27.148 11.642 -17.202 1.00 73.12 C ATOM 229 CG LYS A 16 -27.723 10.556 -16.310 1.00 33.42 C ATOM 230 CD LYS A 16 -26.634 9.650 -15.762 1.00 23.54 C ATOM 231 CE LYS A 16 -26.005 8.807 -16.860 1.00 64.53 C ATOM 232 NZ LYS A 16 -26.393 7.373 -16.751 1.00 13.21 N ATOM 0 H LYS A 16 -26.375 14.122 -18.120 1.00 52.03 H new ATOM 0 HA LYS A 16 -27.431 13.024 -15.580 1.00 15.33 H new ATOM 0 HB2 LYS A 16 -27.872 11.882 -17.981 1.00 73.12 H new ATOM 0 HB3 LYS A 16 -26.259 11.257 -17.701 1.00 73.12 H new ATOM 0 HG2 LYS A 16 -28.267 11.013 -15.484 1.00 33.42 H new ATOM 0 HG3 LYS A 16 -28.441 9.962 -16.875 1.00 33.42 H new ATOM 0 HD2 LYS A 16 -25.865 10.254 -15.280 1.00 23.54 H new ATOM 0 HD3 LYS A 16 -27.053 8.998 -14.996 1.00 23.54 H new ATOM 0 HE2 LYS A 16 -26.310 9.192 -17.833 1.00 64.53 H new ATOM 0 HE3 LYS A 16 -24.920 8.894 -16.808 1.00 64.53 H new ATOM 0 HZ1 LYS A 16 -25.944 6.833 -17.518 1.00 13.21 H new ATOM 0 HZ2 LYS A 16 -26.080 6.998 -15.833 1.00 13.21 H new ATOM 0 HZ3 LYS A 16 -27.427 7.286 -16.826 1.00 13.21 H new ATOM 246 N THR A 17 -25.153 12.887 -14.653 1.00 0.25 N ATOM 247 CA THR A 17 -23.821 12.823 -14.065 1.00 21.12 C ATOM 248 C THR A 17 -23.406 11.380 -13.798 1.00 55.34 C ATOM 249 O THR A 17 -24.052 10.672 -13.025 1.00 41.10 O ATOM 250 CB THR A 17 -23.749 13.617 -12.747 1.00 14.20 C ATOM 251 OG1 THR A 17 -25.058 13.743 -12.179 1.00 50.34 O ATOM 252 CG2 THR A 17 -23.157 14.999 -12.979 1.00 63.23 C ATOM 0 H THR A 17 -25.910 12.963 -13.974 1.00 0.25 H new ATOM 0 HA THR A 17 -23.136 13.268 -14.787 1.00 21.12 H new ATOM 0 HB THR A 17 -23.104 13.074 -12.056 1.00 14.20 H new ATOM 0 HG1 THR A 17 -25.004 14.247 -11.341 1.00 50.34 H new ATOM 0 HG21 THR A 17 -23.116 15.541 -12.034 1.00 63.23 H new ATOM 0 HG22 THR A 17 -22.150 14.900 -13.384 1.00 63.23 H new ATOM 0 HG23 THR A 17 -23.780 15.548 -13.685 1.00 63.23 H new ATOM 260 N ILE A 18 -22.326 10.951 -14.443 1.00 15.43 N ATOM 261 CA ILE A 18 -21.826 9.593 -14.273 1.00 44.12 C ATOM 262 C ILE A 18 -20.361 9.596 -13.850 1.00 4.31 C ATOM 263 O ILE A 18 -19.573 10.428 -14.303 1.00 12.05 O ATOM 264 CB ILE A 18 -21.972 8.773 -15.569 1.00 12.24 C ATOM 265 CG1 ILE A 18 -21.212 7.451 -15.450 1.00 23.21 C ATOM 266 CG2 ILE A 18 -21.471 9.573 -16.762 1.00 0.55 C ATOM 267 CD1 ILE A 18 -21.452 6.510 -16.609 1.00 63.54 C ATOM 0 H ILE A 18 -21.781 11.524 -15.087 1.00 15.43 H new ATOM 0 HA ILE A 18 -22.427 9.131 -13.490 1.00 44.12 H new ATOM 0 HB ILE A 18 -23.028 8.551 -15.724 1.00 12.24 H new ATOM 0 HG12 ILE A 18 -20.145 7.660 -15.377 1.00 23.21 H new ATOM 0 HG13 ILE A 18 -21.504 6.956 -14.524 1.00 23.21 H new ATOM 0 HG21 ILE A 18 -21.581 8.980 -17.670 1.00 0.55 H new ATOM 0 HG22 ILE A 18 -22.053 10.490 -16.855 1.00 0.55 H new ATOM 0 HG23 ILE A 18 -20.420 9.823 -16.617 1.00 0.55 H new ATOM 0 HD11 ILE A 18 -20.882 5.593 -16.458 1.00 63.54 H new ATOM 0 HD12 ILE A 18 -22.514 6.271 -16.670 1.00 63.54 H new ATOM 0 HD13 ILE A 18 -21.134 6.986 -17.536 1.00 63.54 H new ATOM 279 N THR A 19 -20.000 8.659 -12.979 1.00 62.20 N ATOM 280 CA THR A 19 -18.629 8.552 -12.495 1.00 14.34 C ATOM 281 C THR A 19 -17.974 7.264 -12.978 1.00 62.21 C ATOM 282 O THR A 19 -18.594 6.200 -12.970 1.00 51.12 O ATOM 283 CB THR A 19 -18.572 8.598 -10.956 1.00 32.00 C ATOM 284 OG1 THR A 19 -19.813 9.087 -10.434 1.00 22.30 O ATOM 285 CG2 THR A 19 -17.432 9.487 -10.483 1.00 21.21 C ATOM 0 H THR A 19 -20.638 7.963 -12.594 1.00 62.20 H new ATOM 0 HA THR A 19 -18.084 9.406 -12.898 1.00 14.34 H new ATOM 0 HB THR A 19 -18.398 7.586 -10.591 1.00 32.00 H new ATOM 0 HG1 THR A 19 -19.816 10.067 -10.462 1.00 22.30 H new ATOM 0 HG21 THR A 19 -17.412 9.504 -9.393 1.00 21.21 H new ATOM 0 HG22 THR A 19 -16.486 9.096 -10.857 1.00 21.21 H new ATOM 0 HG23 THR A 19 -17.580 10.499 -10.859 1.00 21.21 H new ATOM 293 N ILE A 20 -16.717 7.366 -13.398 1.00 12.14 N ATOM 294 CA ILE A 20 -15.978 6.208 -13.883 1.00 24.42 C ATOM 295 C ILE A 20 -14.516 6.268 -13.452 1.00 12.42 C ATOM 296 O ILE A 20 -13.856 7.296 -13.604 1.00 43.11 O ATOM 297 CB ILE A 20 -16.044 6.099 -15.418 1.00 15.54 C ATOM 298 CG1 ILE A 20 -16.023 7.492 -16.050 1.00 53.53 C ATOM 299 CG2 ILE A 20 -17.292 5.338 -15.841 1.00 41.31 C ATOM 300 CD1 ILE A 20 -15.282 7.547 -17.368 1.00 22.44 C ATOM 0 H ILE A 20 -16.190 8.239 -13.412 1.00 12.14 H new ATOM 0 HA ILE A 20 -16.449 5.328 -13.444 1.00 24.42 H new ATOM 0 HB ILE A 20 -15.171 5.548 -15.767 1.00 15.54 H new ATOM 0 HG12 ILE A 20 -17.049 7.827 -16.205 1.00 53.53 H new ATOM 0 HG13 ILE A 20 -15.561 8.191 -15.353 1.00 53.53 H new ATOM 0 HG21 ILE A 20 -17.325 5.269 -16.928 1.00 41.31 H new ATOM 0 HG22 ILE A 20 -17.269 4.335 -15.414 1.00 41.31 H new ATOM 0 HG23 ILE A 20 -18.177 5.864 -15.484 1.00 41.31 H new ATOM 0 HD11 ILE A 20 -15.308 8.565 -17.758 1.00 22.44 H new ATOM 0 HD12 ILE A 20 -14.246 7.243 -17.216 1.00 22.44 H new ATOM 0 HD13 ILE A 20 -15.757 6.873 -18.081 1.00 22.44 H new ATOM 312 N ASP A 21 -14.017 5.161 -12.915 1.00 20.40 N ATOM 313 CA ASP A 21 -12.632 5.086 -12.464 1.00 50.24 C ATOM 314 C ASP A 21 -11.697 4.784 -13.631 1.00 25.22 C ATOM 315 O ASP A 21 -11.847 3.771 -14.314 1.00 62.03 O ATOM 316 CB ASP A 21 -12.482 4.015 -11.383 1.00 60.11 C ATOM 317 CG ASP A 21 -12.784 2.623 -11.902 1.00 32.34 C ATOM 318 OD1 ASP A 21 -13.973 2.324 -12.144 1.00 3.41 O ATOM 319 OD2 ASP A 21 -11.832 1.832 -12.066 1.00 32.32 O ATOM 0 H ASP A 21 -14.551 4.302 -12.781 1.00 20.40 H new ATOM 0 HA ASP A 21 -12.359 6.054 -12.044 1.00 50.24 H new ATOM 0 HB2 ASP A 21 -11.466 4.040 -10.989 1.00 60.11 H new ATOM 0 HB3 ASP A 21 -13.151 4.244 -10.554 1.00 60.11 H new ATOM 324 N VAL A 22 -10.731 5.670 -13.853 1.00 61.25 N ATOM 325 CA VAL A 22 -9.771 5.498 -14.937 1.00 62.02 C ATOM 326 C VAL A 22 -8.349 5.773 -14.460 1.00 70.04 C ATOM 327 O VAL A 22 -8.142 6.372 -13.405 1.00 32.33 O ATOM 328 CB VAL A 22 -10.091 6.426 -16.124 1.00 13.55 C ATOM 329 CG1 VAL A 22 -11.551 6.854 -16.088 1.00 63.22 C ATOM 330 CG2 VAL A 22 -9.172 7.638 -16.115 1.00 0.45 C ATOM 0 H VAL A 22 -10.593 6.514 -13.297 1.00 61.25 H new ATOM 0 HA VAL A 22 -9.847 4.462 -15.266 1.00 62.02 H new ATOM 0 HB VAL A 22 -9.921 5.876 -17.049 1.00 13.55 H new ATOM 0 HG11 VAL A 22 -11.759 7.509 -16.934 1.00 63.22 H new ATOM 0 HG12 VAL A 22 -12.190 5.973 -16.146 1.00 63.22 H new ATOM 0 HG13 VAL A 22 -11.751 7.387 -15.158 1.00 63.22 H new ATOM 0 HG21 VAL A 22 -9.412 8.283 -16.960 1.00 0.45 H new ATOM 0 HG22 VAL A 22 -9.309 8.192 -15.186 1.00 0.45 H new ATOM 0 HG23 VAL A 22 -8.136 7.309 -16.192 1.00 0.45 H new ATOM 340 N ASP A 23 -7.372 5.332 -15.246 1.00 12.35 N ATOM 341 CA ASP A 23 -5.968 5.532 -14.905 1.00 14.22 C ATOM 342 C ASP A 23 -5.293 6.464 -15.907 1.00 34.42 C ATOM 343 O ASP A 23 -5.705 6.550 -17.064 1.00 44.53 O ATOM 344 CB ASP A 23 -5.236 4.190 -14.863 1.00 44.32 C ATOM 345 CG ASP A 23 -4.508 3.968 -13.552 1.00 12.43 C ATOM 346 OD1 ASP A 23 -4.010 4.958 -12.975 1.00 72.41 O ATOM 347 OD2 ASP A 23 -4.436 2.805 -13.102 1.00 52.22 O ATOM 0 H ASP A 23 -7.527 4.834 -16.123 1.00 12.35 H new ATOM 0 HA ASP A 23 -5.921 5.994 -13.919 1.00 14.22 H new ATOM 0 HB2 ASP A 23 -5.953 3.384 -15.018 1.00 44.32 H new ATOM 0 HB3 ASP A 23 -4.521 4.144 -15.685 1.00 44.32 H new ATOM 352 N HIS A 24 -4.255 7.160 -15.454 1.00 33.42 N ATOM 353 CA HIS A 24 -3.523 8.086 -16.311 1.00 33.54 C ATOM 354 C HIS A 24 -2.907 7.354 -17.499 1.00 43.12 C ATOM 355 O HIS A 24 -2.499 7.976 -18.480 1.00 11.24 O ATOM 356 CB HIS A 24 -2.431 8.797 -15.512 1.00 44.02 C ATOM 357 CG HIS A 24 -1.423 7.865 -14.913 1.00 34.42 C ATOM 358 ND1 HIS A 24 -0.168 7.667 -15.448 1.00 51.53 N ATOM 359 CD2 HIS A 24 -1.491 7.074 -13.816 1.00 12.30 C ATOM 360 CE1 HIS A 24 0.492 6.795 -14.708 1.00 30.11 C ATOM 361 NE2 HIS A 24 -0.289 6.420 -13.711 1.00 24.14 N ATOM 0 H HIS A 24 -3.902 7.100 -14.499 1.00 33.42 H new ATOM 0 HA HIS A 24 -4.227 8.827 -16.689 1.00 33.54 H new ATOM 0 HB2 HIS A 24 -1.918 9.504 -16.164 1.00 44.02 H new ATOM 0 HB3 HIS A 24 -2.895 9.378 -14.715 1.00 44.02 H new ATOM 0 HD2 HIS A 24 -2.334 6.976 -13.148 1.00 12.30 H new ATOM 0 HE1 HIS A 24 1.499 6.448 -14.887 1.00 30.11 H new ATOM 0 HE2 HIS A 24 -0.039 5.753 -12.981 1.00 24.14 H new ATOM 369 N ALA A 25 -2.841 6.030 -17.404 1.00 14.11 N ATOM 370 CA ALA A 25 -2.276 5.214 -18.471 1.00 41.44 C ATOM 371 C ALA A 25 -3.331 4.872 -19.518 1.00 22.52 C ATOM 372 O ALA A 25 -3.081 4.083 -20.430 1.00 2.21 O ATOM 373 CB ALA A 25 -1.666 3.944 -17.898 1.00 60.10 C ATOM 0 H ALA A 25 -3.172 5.500 -16.598 1.00 14.11 H new ATOM 0 HA ALA A 25 -1.491 5.792 -18.960 1.00 41.44 H new ATOM 0 HB1 ALA A 25 -1.248 3.344 -18.706 1.00 60.10 H new ATOM 0 HB2 ALA A 25 -0.876 4.205 -17.194 1.00 60.10 H new ATOM 0 HB3 ALA A 25 -2.436 3.371 -17.382 1.00 60.10 H new ATOM 379 N ASP A 26 -4.510 5.468 -19.380 1.00 21.43 N ATOM 380 CA ASP A 26 -5.603 5.225 -20.314 1.00 12.41 C ATOM 381 C ASP A 26 -5.715 6.361 -21.326 1.00 11.52 C ATOM 382 O ASP A 26 -4.818 7.197 -21.440 1.00 2.32 O ATOM 383 CB ASP A 26 -6.923 5.068 -19.558 1.00 31.45 C ATOM 384 CG ASP A 26 -6.841 4.024 -18.461 1.00 3.13 C ATOM 385 OD1 ASP A 26 -5.850 3.264 -18.438 1.00 2.14 O ATOM 386 OD2 ASP A 26 -7.767 3.968 -17.625 1.00 43.10 O ATOM 0 H ASP A 26 -4.733 6.123 -18.630 1.00 21.43 H new ATOM 0 HA ASP A 26 -5.389 4.302 -20.852 1.00 12.41 H new ATOM 0 HB2 ASP A 26 -7.205 6.027 -19.123 1.00 31.45 H new ATOM 0 HB3 ASP A 26 -7.710 4.792 -20.260 1.00 31.45 H new ATOM 391 N THR A 27 -6.823 6.386 -22.060 1.00 61.05 N ATOM 392 CA THR A 27 -7.052 7.417 -23.064 1.00 44.44 C ATOM 393 C THR A 27 -8.534 7.750 -23.183 1.00 75.01 C ATOM 394 O THR A 27 -9.388 7.013 -22.690 1.00 21.43 O ATOM 395 CB THR A 27 -6.522 6.985 -24.445 1.00 1.13 C ATOM 396 OG1 THR A 27 -6.535 5.557 -24.549 1.00 64.00 O ATOM 397 CG2 THR A 27 -5.109 7.502 -24.669 1.00 0.45 C ATOM 0 H THR A 27 -7.576 5.703 -21.978 1.00 61.05 H new ATOM 0 HA THR A 27 -6.509 8.303 -22.735 1.00 44.44 H new ATOM 0 HB THR A 27 -7.172 7.411 -25.209 1.00 1.13 H new ATOM 0 HG1 THR A 27 -6.198 5.290 -25.430 1.00 64.00 H new ATOM 0 HG21 THR A 27 -4.757 7.184 -25.650 1.00 0.45 H new ATOM 0 HG22 THR A 27 -5.108 8.591 -24.618 1.00 0.45 H new ATOM 0 HG23 THR A 27 -4.449 7.102 -23.899 1.00 0.45 H new ATOM 405 N VAL A 28 -8.835 8.865 -23.842 1.00 33.15 N ATOM 406 CA VAL A 28 -10.216 9.294 -24.027 1.00 13.32 C ATOM 407 C VAL A 28 -11.044 8.206 -24.701 1.00 15.23 C ATOM 408 O VAL A 28 -12.135 7.868 -24.242 1.00 62.33 O ATOM 409 CB VAL A 28 -10.296 10.581 -24.870 1.00 23.11 C ATOM 410 CG1 VAL A 28 -11.701 11.162 -24.827 1.00 22.30 C ATOM 411 CG2 VAL A 28 -9.274 11.599 -24.386 1.00 31.34 C ATOM 0 H VAL A 28 -8.141 9.487 -24.256 1.00 33.15 H new ATOM 0 HA VAL A 28 -10.621 9.493 -23.035 1.00 13.32 H new ATOM 0 HB VAL A 28 -10.064 10.331 -25.905 1.00 23.11 H new ATOM 0 HG11 VAL A 28 -11.738 12.070 -25.428 1.00 22.30 H new ATOM 0 HG12 VAL A 28 -12.408 10.434 -25.226 1.00 22.30 H new ATOM 0 HG13 VAL A 28 -11.966 11.398 -23.796 1.00 22.30 H new ATOM 0 HG21 VAL A 28 -9.344 12.502 -24.993 1.00 31.34 H new ATOM 0 HG22 VAL A 28 -9.472 11.846 -23.343 1.00 31.34 H new ATOM 0 HG23 VAL A 28 -8.272 11.179 -24.475 1.00 31.34 H new ATOM 421 N GLY A 29 -10.518 7.660 -25.793 1.00 52.51 N ATOM 422 CA GLY A 29 -11.222 6.615 -26.513 1.00 51.41 C ATOM 423 C GLY A 29 -11.679 5.492 -25.604 1.00 32.10 C ATOM 424 O GLY A 29 -12.842 5.091 -25.639 1.00 30.44 O ATOM 0 H GLY A 29 -9.617 7.923 -26.192 1.00 52.51 H new ATOM 0 HA2 GLY A 29 -12.087 7.045 -27.017 1.00 51.41 H new ATOM 0 HA3 GLY A 29 -10.571 6.209 -27.287 1.00 51.41 H new ATOM 428 N ALA A 30 -10.762 4.982 -24.789 1.00 23.20 N ATOM 429 CA ALA A 30 -11.077 3.898 -23.867 1.00 10.14 C ATOM 430 C ALA A 30 -12.173 4.310 -22.889 1.00 44.33 C ATOM 431 O ALA A 30 -13.076 3.530 -22.589 1.00 11.04 O ATOM 432 CB ALA A 30 -9.828 3.467 -23.112 1.00 12.43 C ATOM 0 H ALA A 30 -9.794 5.302 -24.748 1.00 23.20 H new ATOM 0 HA ALA A 30 -11.445 3.054 -24.450 1.00 10.14 H new ATOM 0 HB1 ALA A 30 -10.078 2.657 -22.427 1.00 12.43 H new ATOM 0 HB2 ALA A 30 -9.075 3.123 -23.821 1.00 12.43 H new ATOM 0 HB3 ALA A 30 -9.435 4.312 -22.546 1.00 12.43 H new ATOM 438 N VAL A 31 -12.086 5.541 -22.395 1.00 51.43 N ATOM 439 CA VAL A 31 -13.070 6.057 -21.452 1.00 15.43 C ATOM 440 C VAL A 31 -14.464 6.082 -22.070 1.00 1.02 C ATOM 441 O VAL A 31 -15.445 5.699 -21.432 1.00 52.32 O ATOM 442 CB VAL A 31 -12.705 7.477 -20.980 1.00 11.32 C ATOM 443 CG1 VAL A 31 -13.824 8.063 -20.131 1.00 64.42 C ATOM 444 CG2 VAL A 31 -11.393 7.461 -20.210 1.00 12.22 C ATOM 0 H VAL A 31 -11.344 6.199 -22.633 1.00 51.43 H new ATOM 0 HA VAL A 31 -13.068 5.385 -20.594 1.00 15.43 H new ATOM 0 HB VAL A 31 -12.578 8.111 -21.857 1.00 11.32 H new ATOM 0 HG11 VAL A 31 -13.548 9.066 -19.807 1.00 64.42 H new ATOM 0 HG12 VAL A 31 -14.740 8.111 -20.720 1.00 64.42 H new ATOM 0 HG13 VAL A 31 -13.987 7.432 -19.258 1.00 64.42 H new ATOM 0 HG21 VAL A 31 -11.150 8.472 -19.884 1.00 12.22 H new ATOM 0 HG22 VAL A 31 -11.490 6.812 -19.339 1.00 12.22 H new ATOM 0 HG23 VAL A 31 -10.598 7.087 -20.854 1.00 12.22 H new ATOM 454 N LYS A 32 -14.544 6.535 -23.316 1.00 72.54 N ATOM 455 CA LYS A 32 -15.817 6.608 -24.024 1.00 11.13 C ATOM 456 C LYS A 32 -16.502 5.246 -24.054 1.00 72.42 C ATOM 457 O LYS A 32 -17.714 5.145 -23.865 1.00 50.55 O ATOM 458 CB LYS A 32 -15.602 7.115 -25.452 1.00 31.23 C ATOM 459 CG LYS A 32 -16.171 8.501 -25.697 1.00 52.52 C ATOM 460 CD LYS A 32 -15.070 9.527 -25.906 1.00 1.43 C ATOM 461 CE LYS A 32 -14.975 9.955 -27.362 1.00 55.52 C ATOM 462 NZ LYS A 32 -16.239 10.584 -27.838 1.00 45.44 N ATOM 0 H LYS A 32 -13.742 6.857 -23.857 1.00 72.54 H new ATOM 0 HA LYS A 32 -16.461 7.307 -23.490 1.00 11.13 H new ATOM 0 HB2 LYS A 32 -14.534 7.127 -25.667 1.00 31.23 H new ATOM 0 HB3 LYS A 32 -16.060 6.415 -26.150 1.00 31.23 H new ATOM 0 HG2 LYS A 32 -16.820 8.479 -26.572 1.00 52.52 H new ATOM 0 HG3 LYS A 32 -16.789 8.797 -24.849 1.00 52.52 H new ATOM 0 HD2 LYS A 32 -15.261 10.399 -25.281 1.00 1.43 H new ATOM 0 HD3 LYS A 32 -14.116 9.108 -25.586 1.00 1.43 H new ATOM 0 HE2 LYS A 32 -14.152 10.659 -27.481 1.00 55.52 H new ATOM 0 HE3 LYS A 32 -14.745 9.088 -27.981 1.00 55.52 H new ATOM 0 HZ1 LYS A 32 -16.022 11.284 -28.576 1.00 45.44 H new ATOM 0 HZ2 LYS A 32 -16.865 9.852 -28.229 1.00 45.44 H new ATOM 0 HZ3 LYS A 32 -16.713 11.056 -27.042 1.00 45.44 H new ATOM 476 N ALA A 33 -15.718 4.199 -24.292 1.00 1.33 N ATOM 477 CA ALA A 33 -16.249 2.843 -24.343 1.00 61.21 C ATOM 478 C ALA A 33 -16.819 2.425 -22.992 1.00 30.20 C ATOM 479 O ALA A 33 -17.869 1.786 -22.920 1.00 61.31 O ATOM 480 CB ALA A 33 -15.167 1.869 -24.786 1.00 22.14 C ATOM 0 H ALA A 33 -14.713 4.265 -24.452 1.00 1.33 H new ATOM 0 HA ALA A 33 -17.060 2.824 -25.071 1.00 61.21 H new ATOM 0 HB1 ALA A 33 -15.578 0.860 -24.820 1.00 22.14 H new ATOM 0 HB2 ALA A 33 -14.809 2.149 -25.777 1.00 22.14 H new ATOM 0 HB3 ALA A 33 -14.338 1.900 -24.079 1.00 22.14 H new ATOM 486 N LYS A 34 -16.120 2.789 -21.922 1.00 74.01 N ATOM 487 CA LYS A 34 -16.557 2.453 -20.572 1.00 64.20 C ATOM 488 C LYS A 34 -17.931 3.048 -20.280 1.00 64.52 C ATOM 489 O LYS A 34 -18.789 2.390 -19.692 1.00 14.04 O ATOM 490 CB LYS A 34 -15.541 2.959 -19.545 1.00 14.11 C ATOM 491 CG LYS A 34 -15.888 2.589 -18.113 1.00 72.23 C ATOM 492 CD LYS A 34 -15.836 1.086 -17.898 1.00 34.42 C ATOM 493 CE LYS A 34 -14.424 0.546 -18.068 1.00 54.54 C ATOM 494 NZ LYS A 34 -14.244 -0.763 -17.382 1.00 41.14 N ATOM 0 H LYS A 34 -15.248 3.317 -21.964 1.00 74.01 H new ATOM 0 HA LYS A 34 -16.629 1.368 -20.500 1.00 64.20 H new ATOM 0 HB2 LYS A 34 -14.559 2.554 -19.788 1.00 14.11 H new ATOM 0 HB3 LYS A 34 -15.467 4.044 -19.623 1.00 14.11 H new ATOM 0 HG2 LYS A 34 -15.193 3.079 -17.431 1.00 72.23 H new ATOM 0 HG3 LYS A 34 -16.885 2.958 -17.872 1.00 72.23 H new ATOM 0 HD2 LYS A 34 -16.200 0.848 -16.898 1.00 34.42 H new ATOM 0 HD3 LYS A 34 -16.503 0.593 -18.606 1.00 34.42 H new ATOM 0 HE2 LYS A 34 -14.204 0.433 -19.130 1.00 54.54 H new ATOM 0 HE3 LYS A 34 -13.709 1.266 -17.669 1.00 54.54 H new ATOM 0 HZ1 LYS A 34 -13.269 -1.097 -17.522 1.00 41.14 H new ATOM 0 HZ2 LYS A 34 -14.429 -0.650 -16.365 1.00 41.14 H new ATOM 0 HZ3 LYS A 34 -14.908 -1.458 -17.780 1.00 41.14 H new ATOM 508 N ILE A 35 -18.131 4.293 -20.696 1.00 55.35 N ATOM 509 CA ILE A 35 -19.402 4.974 -20.482 1.00 11.44 C ATOM 510 C ILE A 35 -20.516 4.330 -21.299 1.00 53.35 C ATOM 511 O ILE A 35 -21.659 4.243 -20.850 1.00 74.13 O ATOM 512 CB ILE A 35 -19.309 6.468 -20.847 1.00 74.55 C ATOM 513 CG1 ILE A 35 -18.163 7.132 -20.083 1.00 45.12 C ATOM 514 CG2 ILE A 35 -20.627 7.168 -20.551 1.00 41.31 C ATOM 515 CD1 ILE A 35 -18.296 7.026 -18.580 1.00 74.42 C ATOM 0 H ILE A 35 -17.430 4.851 -21.183 1.00 55.35 H new ATOM 0 HA ILE A 35 -19.634 4.882 -19.421 1.00 11.44 H new ATOM 0 HB ILE A 35 -19.106 6.554 -21.914 1.00 74.55 H new ATOM 0 HG12 ILE A 35 -17.221 6.676 -20.389 1.00 45.12 H new ATOM 0 HG13 ILE A 35 -18.113 8.185 -20.362 1.00 45.12 H new ATOM 0 HG21 ILE A 35 -20.546 8.223 -20.814 1.00 41.31 H new ATOM 0 HG22 ILE A 35 -21.423 6.708 -21.137 1.00 41.31 H new ATOM 0 HG23 ILE A 35 -20.858 7.075 -19.490 1.00 41.31 H new ATOM 0 HD11 ILE A 35 -17.448 7.519 -18.104 1.00 74.42 H new ATOM 0 HD12 ILE A 35 -19.221 7.507 -18.262 1.00 74.42 H new ATOM 0 HD13 ILE A 35 -18.315 5.976 -18.290 1.00 74.42 H new ATOM 527 N TYR A 36 -20.175 3.879 -22.501 1.00 52.13 N ATOM 528 CA TYR A 36 -21.147 3.243 -23.383 1.00 23.10 C ATOM 529 C TYR A 36 -21.801 2.046 -22.700 1.00 23.15 C ATOM 530 O TYR A 36 -23.018 1.870 -22.761 1.00 43.12 O ATOM 531 CB TYR A 36 -20.473 2.797 -24.682 1.00 1.21 C ATOM 532 CG TYR A 36 -20.820 1.383 -25.090 1.00 5.14 C ATOM 533 CD1 TYR A 36 -22.074 1.074 -25.600 1.00 60.23 C ATOM 534 CD2 TYR A 36 -19.892 0.356 -24.965 1.00 3.22 C ATOM 535 CE1 TYR A 36 -22.395 -0.217 -25.973 1.00 50.02 C ATOM 536 CE2 TYR A 36 -20.204 -0.937 -25.337 1.00 25.34 C ATOM 537 CZ TYR A 36 -21.457 -1.219 -25.840 1.00 5.13 C ATOM 538 OH TYR A 36 -21.772 -2.506 -26.211 1.00 40.35 O ATOM 0 H TYR A 36 -19.233 3.942 -22.887 1.00 52.13 H new ATOM 0 HA TYR A 36 -21.922 3.974 -23.615 1.00 23.10 H new ATOM 0 HB2 TYR A 36 -20.760 3.478 -25.483 1.00 1.21 H new ATOM 0 HB3 TYR A 36 -19.392 2.878 -24.567 1.00 1.21 H new ATOM 0 HD1 TYR A 36 -22.811 1.856 -25.707 1.00 60.23 H new ATOM 0 HD2 TYR A 36 -18.910 0.573 -24.570 1.00 3.22 H new ATOM 0 HE1 TYR A 36 -23.376 -0.440 -26.367 1.00 50.02 H new ATOM 0 HE2 TYR A 36 -19.471 -1.723 -25.235 1.00 25.34 H new ATOM 0 HH TYR A 36 -21.000 -3.090 -26.055 1.00 40.35 H new ATOM 548 N ASP A 37 -20.984 1.226 -22.048 1.00 4.13 N ATOM 549 CA ASP A 37 -21.481 0.046 -21.350 1.00 61.13 C ATOM 550 C ASP A 37 -22.177 0.436 -20.050 1.00 42.10 C ATOM 551 O ASP A 37 -23.119 -0.226 -19.614 1.00 64.30 O ATOM 552 CB ASP A 37 -20.333 -0.922 -21.058 1.00 40.23 C ATOM 553 CG ASP A 37 -20.635 -2.334 -21.518 1.00 75.41 C ATOM 554 OD1 ASP A 37 -21.328 -3.064 -20.778 1.00 23.33 O ATOM 555 OD2 ASP A 37 -20.181 -2.710 -22.619 1.00 2.23 O ATOM 0 H ASP A 37 -19.974 1.357 -21.988 1.00 4.13 H new ATOM 0 HA ASP A 37 -22.207 -0.448 -21.996 1.00 61.13 H new ATOM 0 HB2 ASP A 37 -19.428 -0.568 -21.552 1.00 40.23 H new ATOM 0 HB3 ASP A 37 -20.130 -0.928 -19.987 1.00 40.23 H new ATOM 560 N LYS A 38 -21.706 1.515 -19.434 1.00 13.21 N ATOM 561 CA LYS A 38 -22.282 1.995 -18.183 1.00 53.13 C ATOM 562 C LYS A 38 -23.784 2.223 -18.328 1.00 23.42 C ATOM 563 O LYS A 38 -24.568 1.808 -17.475 1.00 62.42 O ATOM 564 CB LYS A 38 -21.599 3.293 -17.748 1.00 4.10 C ATOM 565 CG LYS A 38 -20.812 3.162 -16.455 1.00 53.41 C ATOM 566 CD LYS A 38 -19.350 2.846 -16.721 1.00 50.52 C ATOM 567 CE LYS A 38 -19.123 1.351 -16.879 1.00 62.15 C ATOM 568 NZ LYS A 38 -18.543 0.745 -15.649 1.00 62.31 N ATOM 0 H LYS A 38 -20.927 2.074 -19.781 1.00 13.21 H new ATOM 0 HA LYS A 38 -22.119 1.233 -17.421 1.00 53.13 H new ATOM 0 HB2 LYS A 38 -20.928 3.624 -18.540 1.00 4.10 H new ATOM 0 HB3 LYS A 38 -22.355 4.069 -17.626 1.00 4.10 H new ATOM 0 HG2 LYS A 38 -20.887 4.089 -15.887 1.00 53.41 H new ATOM 0 HG3 LYS A 38 -21.249 2.375 -15.840 1.00 53.41 H new ATOM 0 HD2 LYS A 38 -19.024 3.362 -17.624 1.00 50.52 H new ATOM 0 HD3 LYS A 38 -18.740 3.223 -15.900 1.00 50.52 H new ATOM 0 HE2 LYS A 38 -20.069 0.863 -17.113 1.00 62.15 H new ATOM 0 HE3 LYS A 38 -18.455 1.172 -17.722 1.00 62.15 H new ATOM 0 HZ1 LYS A 38 -18.293 -0.247 -15.835 1.00 62.31 H new ATOM 0 HZ2 LYS A 38 -17.689 1.271 -15.372 1.00 62.31 H new ATOM 0 HZ3 LYS A 38 -19.241 0.788 -14.879 1.00 62.31 H new ATOM 582 N GLU A 39 -24.176 2.883 -19.413 1.00 20.20 N ATOM 583 CA GLU A 39 -25.584 3.164 -19.668 1.00 21.10 C ATOM 584 C GLU A 39 -26.092 2.359 -20.861 1.00 32.25 C ATOM 585 O GLU A 39 -27.080 1.633 -20.758 1.00 22.44 O ATOM 586 CB GLU A 39 -25.791 4.658 -19.922 1.00 44.53 C ATOM 587 CG GLU A 39 -24.617 5.325 -20.620 1.00 3.24 C ATOM 588 CD GLU A 39 -24.787 6.827 -20.742 1.00 74.01 C ATOM 589 OE1 GLU A 39 -25.942 7.283 -20.880 1.00 20.14 O ATOM 590 OE2 GLU A 39 -23.767 7.546 -20.701 1.00 33.12 O ATOM 0 H GLU A 39 -23.539 3.233 -20.129 1.00 20.20 H new ATOM 0 HA GLU A 39 -26.152 2.871 -18.785 1.00 21.10 H new ATOM 0 HB2 GLU A 39 -26.688 4.794 -20.527 1.00 44.53 H new ATOM 0 HB3 GLU A 39 -25.969 5.159 -18.970 1.00 44.53 H new ATOM 0 HG2 GLU A 39 -23.702 5.110 -20.068 1.00 3.24 H new ATOM 0 HG3 GLU A 39 -24.498 4.895 -21.614 1.00 3.24 H new ATOM 597 N GLY A 40 -25.409 2.494 -21.993 1.00 40.42 N ATOM 598 CA GLY A 40 -25.806 1.775 -23.190 1.00 2.15 C ATOM 599 C GLY A 40 -26.074 2.700 -24.360 1.00 50.10 C ATOM 600 O GLY A 40 -27.114 2.602 -25.012 1.00 32.44 O ATOM 0 H GLY A 40 -24.588 3.089 -22.103 1.00 40.42 H new ATOM 0 HA2 GLY A 40 -25.022 1.068 -23.462 1.00 2.15 H new ATOM 0 HA3 GLY A 40 -26.702 1.192 -22.979 1.00 2.15 H new ATOM 604 N ILE A 41 -25.135 3.602 -24.627 1.00 33.23 N ATOM 605 CA ILE A 41 -25.276 4.548 -25.726 1.00 52.32 C ATOM 606 C ILE A 41 -24.065 4.501 -26.651 1.00 62.21 C ATOM 607 O ILE A 41 -22.981 4.056 -26.273 1.00 3.43 O ATOM 608 CB ILE A 41 -25.458 5.988 -25.210 1.00 23.11 C ATOM 609 CG1 ILE A 41 -24.578 6.227 -23.981 1.00 45.25 C ATOM 610 CG2 ILE A 41 -26.919 6.252 -24.881 1.00 13.14 C ATOM 611 CD1 ILE A 41 -23.997 7.622 -23.917 1.00 1.43 C ATOM 0 H ILE A 41 -24.269 3.697 -24.097 1.00 33.23 H new ATOM 0 HA ILE A 41 -26.166 4.255 -26.282 1.00 52.32 H new ATOM 0 HB ILE A 41 -25.152 6.681 -25.994 1.00 23.11 H new ATOM 0 HG12 ILE A 41 -25.167 6.046 -23.082 1.00 45.25 H new ATOM 0 HG13 ILE A 41 -23.764 5.502 -23.981 1.00 45.25 H new ATOM 0 HG21 ILE A 41 -27.031 7.274 -24.518 1.00 13.14 H new ATOM 0 HG22 ILE A 41 -27.524 6.117 -25.778 1.00 13.14 H new ATOM 0 HG23 ILE A 41 -27.250 5.555 -24.111 1.00 13.14 H new ATOM 0 HD11 ILE A 41 -23.385 7.720 -23.021 1.00 1.43 H new ATOM 0 HD12 ILE A 41 -23.381 7.800 -24.799 1.00 1.43 H new ATOM 0 HD13 ILE A 41 -24.806 8.352 -23.886 1.00 1.43 H new ATOM 623 N PRO A 42 -24.250 4.971 -27.893 1.00 51.15 N ATOM 624 CA PRO A 42 -23.183 4.995 -28.898 1.00 41.51 C ATOM 625 C PRO A 42 -22.099 6.016 -28.568 1.00 52.20 C ATOM 626 O PRO A 42 -22.334 7.225 -28.555 1.00 33.45 O ATOM 627 CB PRO A 42 -23.915 5.389 -30.184 1.00 2.44 C ATOM 628 CG PRO A 42 -25.115 6.140 -29.721 1.00 54.30 C ATOM 629 CD PRO A 42 -25.516 5.516 -28.413 1.00 22.10 C ATOM 0 HA PRO A 42 -22.663 4.039 -28.963 1.00 41.51 H new ATOM 0 HB2 PRO A 42 -23.285 6.006 -30.825 1.00 2.44 H new ATOM 0 HB3 PRO A 42 -24.197 4.510 -30.764 1.00 2.44 H new ATOM 0 HG2 PRO A 42 -24.888 7.199 -29.595 1.00 54.30 H new ATOM 0 HG3 PRO A 42 -25.923 6.072 -30.450 1.00 54.30 H new ATOM 0 HD2 PRO A 42 -25.947 6.251 -27.733 1.00 22.10 H new ATOM 0 HD3 PRO A 42 -26.263 4.734 -28.553 1.00 22.10 H new ATOM 637 N PRO A 43 -20.883 5.522 -28.296 1.00 24.44 N ATOM 638 CA PRO A 43 -19.738 6.374 -27.961 1.00 50.45 C ATOM 639 C PRO A 43 -19.249 7.183 -29.158 1.00 41.11 C ATOM 640 O PRO A 43 -18.760 8.303 -29.005 1.00 30.43 O ATOM 641 CB PRO A 43 -18.668 5.374 -27.519 1.00 25.13 C ATOM 642 CG PRO A 43 -19.029 4.103 -28.206 1.00 73.14 C ATOM 643 CD PRO A 43 -20.530 4.092 -28.293 1.00 75.22 C ATOM 0 HA PRO A 43 -19.989 7.114 -27.201 1.00 50.45 H new ATOM 0 HB2 PRO A 43 -17.671 5.709 -27.805 1.00 25.13 H new ATOM 0 HB3 PRO A 43 -18.664 5.251 -26.436 1.00 25.13 H new ATOM 0 HG2 PRO A 43 -18.580 4.054 -29.198 1.00 73.14 H new ATOM 0 HG3 PRO A 43 -18.664 3.241 -27.648 1.00 73.14 H new ATOM 0 HD2 PRO A 43 -20.876 3.591 -29.197 1.00 75.22 H new ATOM 0 HD3 PRO A 43 -20.978 3.570 -27.448 1.00 75.22 H new ATOM 651 N ASP A 44 -19.384 6.610 -30.349 1.00 31.23 N ATOM 652 CA ASP A 44 -18.957 7.279 -31.572 1.00 71.53 C ATOM 653 C ASP A 44 -19.924 8.398 -31.946 1.00 31.33 C ATOM 654 O ASP A 44 -19.597 9.270 -32.749 1.00 41.25 O ATOM 655 CB ASP A 44 -18.854 6.272 -32.720 1.00 15.34 C ATOM 656 CG ASP A 44 -17.933 6.748 -33.826 1.00 32.52 C ATOM 657 OD1 ASP A 44 -17.242 7.768 -33.624 1.00 71.35 O ATOM 658 OD2 ASP A 44 -17.904 6.100 -34.893 1.00 61.24 O ATOM 0 H ASP A 44 -19.786 5.684 -30.493 1.00 31.23 H new ATOM 0 HA ASP A 44 -17.975 7.717 -31.393 1.00 71.53 H new ATOM 0 HB2 ASP A 44 -18.491 5.320 -32.333 1.00 15.34 H new ATOM 0 HB3 ASP A 44 -19.847 6.091 -33.131 1.00 15.34 H new ATOM 663 N GLN A 45 -21.115 8.364 -31.357 1.00 55.35 N ATOM 664 CA GLN A 45 -22.130 9.375 -31.630 1.00 52.14 C ATOM 665 C GLN A 45 -22.035 10.525 -30.633 1.00 72.00 C ATOM 666 O GLN A 45 -22.644 11.577 -30.825 1.00 73.14 O ATOM 667 CB GLN A 45 -23.527 8.753 -31.578 1.00 42.23 C ATOM 668 CG GLN A 45 -23.967 8.134 -32.895 1.00 43.33 C ATOM 669 CD GLN A 45 -25.066 7.106 -32.718 1.00 72.23 C ATOM 670 OE1 GLN A 45 -26.167 7.427 -32.269 1.00 44.41 O ATOM 671 NE2 GLN A 45 -24.774 5.860 -33.072 1.00 22.54 N ATOM 0 H GLN A 45 -21.401 7.648 -30.689 1.00 55.35 H new ATOM 0 HA GLN A 45 -21.953 9.770 -32.630 1.00 52.14 H new ATOM 0 HB2 GLN A 45 -23.546 7.988 -30.802 1.00 42.23 H new ATOM 0 HB3 GLN A 45 -24.246 9.519 -31.288 1.00 42.23 H new ATOM 0 HG2 GLN A 45 -24.315 8.921 -33.564 1.00 43.33 H new ATOM 0 HG3 GLN A 45 -23.109 7.664 -33.376 1.00 43.33 H new ATOM 0 HE21 GLN A 45 -23.849 5.638 -33.440 1.00 22.54 H new ATOM 0 HE22 GLN A 45 -25.475 5.125 -32.976 1.00 22.54 H new ATOM 680 N GLN A 46 -21.268 10.316 -29.568 1.00 40.20 N ATOM 681 CA GLN A 46 -21.095 11.336 -28.540 1.00 61.21 C ATOM 682 C GLN A 46 -19.678 11.900 -28.566 1.00 31.30 C ATOM 683 O GLN A 46 -18.757 11.268 -29.084 1.00 34.40 O ATOM 684 CB GLN A 46 -21.400 10.754 -27.159 1.00 1.24 C ATOM 685 CG GLN A 46 -20.610 9.495 -26.841 1.00 30.13 C ATOM 686 CD GLN A 46 -20.559 9.197 -25.355 1.00 53.21 C ATOM 687 OE1 GLN A 46 -21.594 9.034 -24.707 1.00 63.43 O ATOM 688 NE2 GLN A 46 -19.352 9.125 -24.806 1.00 53.24 N ATOM 0 H GLN A 46 -20.757 9.451 -29.394 1.00 40.20 H new ATOM 0 HA GLN A 46 -21.793 12.147 -28.747 1.00 61.21 H new ATOM 0 HB2 GLN A 46 -21.187 11.508 -26.401 1.00 1.24 H new ATOM 0 HB3 GLN A 46 -22.465 10.530 -27.095 1.00 1.24 H new ATOM 0 HG2 GLN A 46 -21.057 8.649 -27.362 1.00 30.13 H new ATOM 0 HG3 GLN A 46 -19.594 9.602 -27.221 1.00 30.13 H new ATOM 0 HE21 GLN A 46 -18.521 9.267 -25.380 1.00 53.24 H new ATOM 0 HE22 GLN A 46 -19.256 8.928 -23.810 1.00 53.24 H new ATOM 697 N ARG A 47 -19.511 13.092 -28.004 1.00 40.51 N ATOM 698 CA ARG A 47 -18.206 13.742 -27.964 1.00 54.24 C ATOM 699 C ARG A 47 -17.982 14.428 -26.620 1.00 44.31 C ATOM 700 O ARG A 47 -18.931 14.704 -25.885 1.00 42.42 O ATOM 701 CB ARG A 47 -18.087 14.764 -29.097 1.00 31.13 C ATOM 702 CG ARG A 47 -16.939 14.483 -30.052 1.00 5.02 C ATOM 703 CD ARG A 47 -17.227 13.275 -30.930 1.00 2.41 C ATOM 704 NE ARG A 47 -16.943 13.542 -32.337 1.00 61.25 N ATOM 705 CZ ARG A 47 -16.912 12.599 -33.272 1.00 61.52 C ATOM 706 NH1 ARG A 47 -17.147 11.334 -32.951 1.00 25.24 N ATOM 707 NH2 ARG A 47 -16.646 12.920 -34.532 1.00 73.30 N ATOM 0 H ARG A 47 -20.263 13.628 -27.570 1.00 40.51 H new ATOM 0 HA ARG A 47 -17.442 12.976 -28.093 1.00 54.24 H new ATOM 0 HB2 ARG A 47 -19.021 14.781 -29.659 1.00 31.13 H new ATOM 0 HB3 ARG A 47 -17.956 15.757 -28.667 1.00 31.13 H new ATOM 0 HG2 ARG A 47 -16.764 15.357 -30.680 1.00 5.02 H new ATOM 0 HG3 ARG A 47 -16.025 14.311 -29.483 1.00 5.02 H new ATOM 0 HD2 ARG A 47 -16.626 12.430 -30.593 1.00 2.41 H new ATOM 0 HD3 ARG A 47 -18.272 12.987 -30.819 1.00 2.41 H new ATOM 0 HE ARG A 47 -16.758 14.505 -32.617 1.00 61.25 H new ATOM 0 HH11 ARG A 47 -17.352 11.083 -31.984 1.00 25.24 H new ATOM 0 HH12 ARG A 47 -17.123 10.612 -33.671 1.00 25.24 H new ATOM 0 HH21 ARG A 47 -16.465 13.892 -34.783 1.00 73.30 H new ATOM 0 HH22 ARG A 47 -16.622 12.195 -35.249 1.00 73.30 H new ATOM 721 N LEU A 48 -16.720 14.700 -26.304 1.00 52.44 N ATOM 722 CA LEU A 48 -16.370 15.354 -25.048 1.00 62.11 C ATOM 723 C LEU A 48 -16.026 16.822 -25.276 1.00 3.43 C ATOM 724 O LEU A 48 -15.452 17.183 -26.304 1.00 3.34 O ATOM 725 CB LEU A 48 -15.189 14.638 -24.390 1.00 32.21 C ATOM 726 CG LEU A 48 -15.132 13.122 -24.582 1.00 31.13 C ATOM 727 CD1 LEU A 48 -16.519 12.514 -24.445 1.00 74.14 C ATOM 728 CD2 LEU A 48 -14.528 12.778 -25.935 1.00 62.03 C ATOM 0 H LEU A 48 -15.923 14.478 -26.900 1.00 52.44 H new ATOM 0 HA LEU A 48 -17.234 15.301 -24.386 1.00 62.11 H new ATOM 0 HB2 LEU A 48 -14.266 15.068 -24.779 1.00 32.21 H new ATOM 0 HB3 LEU A 48 -15.212 14.848 -23.321 1.00 32.21 H new ATOM 0 HG LEU A 48 -14.495 12.700 -23.805 1.00 31.13 H new ATOM 0 HD11 LEU A 48 -16.459 11.435 -24.585 1.00 74.14 H new ATOM 0 HD12 LEU A 48 -16.914 12.730 -23.452 1.00 74.14 H new ATOM 0 HD13 LEU A 48 -17.180 12.941 -25.200 1.00 74.14 H new ATOM 0 HD21 LEU A 48 -14.495 11.695 -26.054 1.00 62.03 H new ATOM 0 HD22 LEU A 48 -15.138 13.212 -26.727 1.00 62.03 H new ATOM 0 HD23 LEU A 48 -13.517 13.180 -25.995 1.00 62.03 H new ATOM 740 N ILE A 49 -16.378 17.664 -24.310 1.00 32.12 N ATOM 741 CA ILE A 49 -16.104 19.092 -24.404 1.00 4.33 C ATOM 742 C ILE A 49 -15.654 19.655 -23.060 1.00 11.23 C ATOM 743 O ILE A 49 -16.355 19.528 -22.056 1.00 11.25 O ATOM 744 CB ILE A 49 -17.340 19.873 -24.887 1.00 32.22 C ATOM 745 CG1 ILE A 49 -17.332 19.991 -26.412 1.00 60.13 C ATOM 746 CG2 ILE A 49 -17.381 21.251 -24.244 1.00 33.13 C ATOM 747 CD1 ILE A 49 -18.617 19.526 -27.061 1.00 41.23 C ATOM 0 H ILE A 49 -16.854 17.381 -23.453 1.00 32.12 H new ATOM 0 HA ILE A 49 -15.302 19.211 -25.133 1.00 4.33 H new ATOM 0 HB ILE A 49 -18.235 19.328 -24.588 1.00 32.22 H new ATOM 0 HG12 ILE A 49 -17.151 21.030 -26.687 1.00 60.13 H new ATOM 0 HG13 ILE A 49 -16.502 19.407 -26.809 1.00 60.13 H new ATOM 0 HG21 ILE A 49 -18.260 21.791 -24.596 1.00 33.13 H new ATOM 0 HG22 ILE A 49 -17.429 21.145 -23.160 1.00 33.13 H new ATOM 0 HG23 ILE A 49 -16.483 21.806 -24.515 1.00 33.13 H new ATOM 0 HD11 ILE A 49 -18.540 19.638 -28.142 1.00 41.23 H new ATOM 0 HD12 ILE A 49 -18.790 18.478 -26.816 1.00 41.23 H new ATOM 0 HD13 ILE A 49 -19.449 20.126 -26.692 1.00 41.23 H new ATOM 759 N PHE A 50 -14.481 20.280 -23.048 1.00 71.44 N ATOM 760 CA PHE A 50 -13.938 20.864 -21.828 1.00 24.33 C ATOM 761 C PHE A 50 -13.571 22.329 -22.042 1.00 53.33 C ATOM 762 O PHE A 50 -12.795 22.662 -22.937 1.00 30.01 O ATOM 763 CB PHE A 50 -12.706 20.081 -21.367 1.00 35.22 C ATOM 764 CG PHE A 50 -12.338 20.333 -19.933 1.00 31.13 C ATOM 765 CD1 PHE A 50 -11.742 21.526 -19.556 1.00 72.31 C ATOM 766 CD2 PHE A 50 -12.587 19.377 -18.961 1.00 72.22 C ATOM 767 CE1 PHE A 50 -11.402 21.761 -18.237 1.00 52.11 C ATOM 768 CE2 PHE A 50 -12.250 19.607 -17.641 1.00 21.22 C ATOM 769 CZ PHE A 50 -11.656 20.800 -17.279 1.00 24.25 C ATOM 0 H PHE A 50 -13.888 20.395 -23.870 1.00 71.44 H new ATOM 0 HA PHE A 50 -14.706 20.809 -21.056 1.00 24.33 H new ATOM 0 HB2 PHE A 50 -12.890 19.016 -21.505 1.00 35.22 H new ATOM 0 HB3 PHE A 50 -11.860 20.343 -22.002 1.00 35.22 H new ATOM 0 HD1 PHE A 50 -11.541 22.281 -20.302 1.00 72.31 H new ATOM 0 HD2 PHE A 50 -13.050 18.441 -19.239 1.00 72.22 H new ATOM 0 HE1 PHE A 50 -10.938 22.695 -17.956 1.00 52.11 H new ATOM 0 HE2 PHE A 50 -12.451 18.854 -16.893 1.00 21.22 H new ATOM 0 HZ PHE A 50 -11.391 20.981 -16.248 1.00 24.25 H new ATOM 779 N GLY A 51 -14.137 23.202 -21.214 1.00 54.12 N ATOM 780 CA GLY A 51 -13.859 24.622 -21.330 1.00 35.25 C ATOM 781 C GLY A 51 -14.394 25.214 -22.618 1.00 52.51 C ATOM 782 O GLY A 51 -14.090 26.357 -22.958 1.00 4.15 O ATOM 0 H GLY A 51 -14.783 22.951 -20.465 1.00 54.12 H new ATOM 0 HA2 GLY A 51 -14.300 25.146 -20.482 1.00 35.25 H new ATOM 0 HA3 GLY A 51 -12.782 24.784 -21.279 1.00 35.25 H new ATOM 786 N GLY A 52 -15.194 24.434 -23.340 1.00 4.53 N ATOM 787 CA GLY A 52 -15.758 24.906 -24.591 1.00 65.42 C ATOM 788 C GLY A 52 -15.196 24.171 -25.793 1.00 14.33 C ATOM 789 O GLY A 52 -15.877 24.011 -26.806 1.00 51.51 O ATOM 0 H GLY A 52 -15.461 23.484 -23.081 1.00 4.53 H new ATOM 0 HA2 GLY A 52 -16.841 24.783 -24.567 1.00 65.42 H new ATOM 0 HA3 GLY A 52 -15.560 25.973 -24.696 1.00 65.42 H new ATOM 793 N LYS A 53 -13.950 23.724 -25.682 1.00 11.31 N ATOM 794 CA LYS A 53 -13.296 23.003 -26.767 1.00 40.13 C ATOM 795 C LYS A 53 -13.456 21.496 -26.593 1.00 50.24 C ATOM 796 O LYS A 53 -13.496 20.993 -25.471 1.00 3.30 O ATOM 797 CB LYS A 53 -11.810 23.366 -26.825 1.00 73.44 C ATOM 798 CG LYS A 53 -11.090 23.193 -25.499 1.00 42.14 C ATOM 799 CD LYS A 53 -10.497 21.801 -25.364 1.00 63.31 C ATOM 800 CE LYS A 53 -9.379 21.571 -26.369 1.00 45.13 C ATOM 801 NZ LYS A 53 -8.367 22.663 -26.333 1.00 51.41 N ATOM 0 H LYS A 53 -13.372 23.849 -24.851 1.00 11.31 H new ATOM 0 HA LYS A 53 -13.772 23.295 -27.703 1.00 40.13 H new ATOM 0 HB2 LYS A 53 -11.322 22.746 -27.577 1.00 73.44 H new ATOM 0 HB3 LYS A 53 -11.710 24.401 -27.151 1.00 73.44 H new ATOM 0 HG2 LYS A 53 -10.298 23.937 -25.414 1.00 42.14 H new ATOM 0 HG3 LYS A 53 -11.786 23.374 -24.680 1.00 42.14 H new ATOM 0 HD2 LYS A 53 -10.113 21.665 -24.353 1.00 63.31 H new ATOM 0 HD3 LYS A 53 -11.279 21.056 -25.511 1.00 63.31 H new ATOM 0 HE2 LYS A 53 -8.893 20.618 -26.159 1.00 45.13 H new ATOM 0 HE3 LYS A 53 -9.801 21.500 -27.372 1.00 45.13 H new ATOM 0 HZ1 LYS A 53 -7.508 22.357 -26.833 1.00 51.41 H new ATOM 0 HZ2 LYS A 53 -8.754 23.510 -26.796 1.00 51.41 H new ATOM 0 HZ3 LYS A 53 -8.132 22.886 -25.345 1.00 51.41 H new ATOM 815 N GLN A 54 -13.546 20.782 -27.711 1.00 10.40 N ATOM 816 CA GLN A 54 -13.701 19.333 -27.681 1.00 22.14 C ATOM 817 C GLN A 54 -12.426 18.660 -27.182 1.00 34.32 C ATOM 818 O GLN A 54 -11.384 19.302 -27.046 1.00 54.41 O ATOM 819 CB GLN A 54 -14.058 18.808 -29.072 1.00 71.31 C ATOM 820 CG GLN A 54 -15.426 18.149 -29.141 1.00 33.31 C ATOM 821 CD GLN A 54 -15.868 17.867 -30.564 1.00 4.23 C ATOM 822 OE1 GLN A 54 -15.046 17.581 -31.436 1.00 14.44 O ATOM 823 NE2 GLN A 54 -17.171 17.947 -30.806 1.00 63.52 N ATOM 0 H GLN A 54 -13.514 21.184 -28.648 1.00 10.40 H new ATOM 0 HA GLN A 54 -14.511 19.093 -26.992 1.00 22.14 H new ATOM 0 HB2 GLN A 54 -14.026 19.634 -29.782 1.00 71.31 H new ATOM 0 HB3 GLN A 54 -13.301 18.089 -29.385 1.00 71.31 H new ATOM 0 HG2 GLN A 54 -15.404 17.215 -28.580 1.00 33.31 H new ATOM 0 HG3 GLN A 54 -16.160 18.794 -28.658 1.00 33.31 H new ATOM 0 HE21 GLN A 54 -17.816 18.187 -30.053 1.00 63.52 H new ATOM 0 HE22 GLN A 54 -17.527 17.768 -31.745 1.00 63.52 H new ATOM 832 N LEU A 55 -12.516 17.363 -26.910 1.00 32.52 N ATOM 833 CA LEU A 55 -11.370 16.601 -26.425 1.00 41.33 C ATOM 834 C LEU A 55 -11.024 15.468 -27.386 1.00 24.14 C ATOM 835 O LEU A 55 -11.885 14.672 -27.757 1.00 32.33 O ATOM 836 CB LEU A 55 -11.660 16.036 -25.034 1.00 23.51 C ATOM 837 CG LEU A 55 -12.269 17.011 -24.026 1.00 73.23 C ATOM 838 CD1 LEU A 55 -12.372 16.365 -22.653 1.00 43.22 C ATOM 839 CD2 LEU A 55 -11.447 18.289 -23.957 1.00 3.23 C ATOM 0 H LEU A 55 -13.371 16.817 -27.017 1.00 32.52 H new ATOM 0 HA LEU A 55 -10.515 17.275 -26.365 1.00 41.33 H new ATOM 0 HB2 LEU A 55 -12.336 15.188 -25.142 1.00 23.51 H new ATOM 0 HB3 LEU A 55 -10.729 15.651 -24.619 1.00 23.51 H new ATOM 0 HG LEU A 55 -13.275 17.268 -24.359 1.00 73.23 H new ATOM 0 HD11 LEU A 55 -12.808 17.074 -21.949 1.00 43.22 H new ATOM 0 HD12 LEU A 55 -13.004 15.479 -22.714 1.00 43.22 H new ATOM 0 HD13 LEU A 55 -11.378 16.078 -22.310 1.00 43.22 H new ATOM 0 HD21 LEU A 55 -11.895 18.971 -23.235 1.00 3.23 H new ATOM 0 HD22 LEU A 55 -10.429 18.051 -23.648 1.00 3.23 H new ATOM 0 HD23 LEU A 55 -11.427 18.762 -24.939 1.00 3.23 H new ATOM 851 N GLU A 56 -9.756 15.401 -27.782 1.00 14.21 N ATOM 852 CA GLU A 56 -9.297 14.364 -28.698 1.00 21.11 C ATOM 853 C GLU A 56 -9.356 12.990 -28.037 1.00 62.42 C ATOM 854 O GLU A 56 -9.821 12.852 -26.906 1.00 10.53 O ATOM 855 CB GLU A 56 -7.869 14.658 -29.162 1.00 3.24 C ATOM 856 CG GLU A 56 -7.679 16.070 -29.690 1.00 51.03 C ATOM 857 CD GLU A 56 -8.797 16.500 -30.620 1.00 60.35 C ATOM 858 OE1 GLU A 56 -9.243 15.666 -31.436 1.00 65.53 O ATOM 859 OE2 GLU A 56 -9.226 17.669 -30.533 1.00 41.01 O ATOM 0 H GLU A 56 -9.030 16.052 -27.483 1.00 14.21 H new ATOM 0 HA GLU A 56 -9.959 14.361 -29.564 1.00 21.11 H new ATOM 0 HB2 GLU A 56 -7.185 14.495 -28.329 1.00 3.24 H new ATOM 0 HB3 GLU A 56 -7.596 13.948 -29.942 1.00 3.24 H new ATOM 0 HG2 GLU A 56 -7.623 16.763 -28.851 1.00 51.03 H new ATOM 0 HG3 GLU A 56 -6.728 16.131 -30.219 1.00 51.03 H new ATOM 866 N ASP A 57 -8.882 11.975 -28.752 1.00 44.42 N ATOM 867 CA ASP A 57 -8.879 10.611 -28.236 1.00 53.44 C ATOM 868 C ASP A 57 -7.821 10.443 -27.151 1.00 22.40 C ATOM 869 O ASP A 57 -7.934 9.570 -26.290 1.00 63.12 O ATOM 870 CB ASP A 57 -8.629 9.615 -29.370 1.00 1.23 C ATOM 871 CG ASP A 57 -9.650 9.737 -30.484 1.00 1.13 C ATOM 872 OD1 ASP A 57 -10.832 9.418 -30.242 1.00 34.33 O ATOM 873 OD2 ASP A 57 -9.266 10.151 -31.598 1.00 32.00 O ATOM 0 H ASP A 57 -8.495 12.071 -29.691 1.00 44.42 H new ATOM 0 HA ASP A 57 -9.857 10.412 -27.798 1.00 53.44 H new ATOM 0 HB2 ASP A 57 -7.631 9.776 -29.777 1.00 1.23 H new ATOM 0 HB3 ASP A 57 -8.651 8.601 -28.970 1.00 1.23 H new ATOM 878 N SER A 58 -6.792 11.283 -27.199 1.00 30.10 N ATOM 879 CA SER A 58 -5.710 11.224 -26.223 1.00 34.32 C ATOM 880 C SER A 58 -5.746 12.437 -25.299 1.00 5.23 C ATOM 881 O SER A 58 -4.872 12.610 -24.449 1.00 74.35 O ATOM 882 CB SER A 58 -4.357 11.148 -26.933 1.00 55.30 C ATOM 883 OG SER A 58 -3.312 10.890 -26.012 1.00 42.02 O ATOM 0 H SER A 58 -6.685 12.013 -27.904 1.00 30.10 H new ATOM 0 HA SER A 58 -5.846 10.326 -25.620 1.00 34.32 H new ATOM 0 HB2 SER A 58 -4.383 10.362 -27.688 1.00 55.30 H new ATOM 0 HB3 SER A 58 -4.163 12.085 -27.455 1.00 55.30 H new ATOM 0 HG SER A 58 -2.458 10.845 -26.491 1.00 42.02 H new ATOM 889 N ASN A 59 -6.762 13.276 -25.472 1.00 32.41 N ATOM 890 CA ASN A 59 -6.912 14.474 -24.655 1.00 12.14 C ATOM 891 C ASN A 59 -7.634 14.155 -23.349 1.00 12.31 C ATOM 892 O ASN A 59 -8.831 14.405 -23.213 1.00 15.31 O ATOM 893 CB ASN A 59 -7.680 15.550 -25.426 1.00 30.34 C ATOM 894 CG ASN A 59 -7.359 16.950 -24.939 1.00 71.24 C ATOM 895 OD1 ASN A 59 -6.910 17.139 -23.809 1.00 34.33 O ATOM 896 ND2 ASN A 59 -7.589 17.940 -25.794 1.00 65.12 N ATOM 0 H ASN A 59 -7.494 13.148 -26.171 1.00 32.41 H new ATOM 0 HA ASN A 59 -5.916 14.848 -24.417 1.00 12.14 H new ATOM 0 HB2 ASN A 59 -7.441 15.473 -26.487 1.00 30.34 H new ATOM 0 HB3 ASN A 59 -8.750 15.370 -25.327 1.00 30.34 H new ATOM 0 HD21 ASN A 59 -7.392 18.904 -25.523 1.00 65.12 H new ATOM 0 HD22 ASN A 59 -7.962 17.737 -26.721 1.00 65.12 H new ATOM 903 N ALA A 60 -6.897 13.602 -22.391 1.00 51.52 N ATOM 904 CA ALA A 60 -7.466 13.252 -21.096 1.00 21.03 C ATOM 905 C ALA A 60 -6.383 12.785 -20.129 1.00 30.00 C ATOM 906 O ALA A 60 -5.922 13.550 -19.283 1.00 5.12 O ATOM 907 CB ALA A 60 -8.529 12.176 -21.260 1.00 13.21 C ATOM 0 H ALA A 60 -5.905 13.387 -22.488 1.00 51.52 H new ATOM 0 HA ALA A 60 -7.930 14.145 -20.677 1.00 21.03 H new ATOM 0 HB1 ALA A 60 -8.945 11.924 -20.285 1.00 13.21 H new ATOM 0 HB2 ALA A 60 -9.323 12.545 -21.909 1.00 13.21 H new ATOM 0 HB3 ALA A 60 -8.081 11.287 -21.704 1.00 13.21 H new ATOM 913 N MET A 61 -5.983 11.525 -20.260 1.00 63.52 N ATOM 914 CA MET A 61 -4.953 10.956 -19.398 1.00 12.34 C ATOM 915 C MET A 61 -3.574 11.485 -19.777 1.00 4.44 C ATOM 916 O MET A 61 -2.887 12.097 -18.958 1.00 42.14 O ATOM 917 CB MET A 61 -4.969 9.429 -19.487 1.00 2.12 C ATOM 918 CG MET A 61 -6.368 8.838 -19.546 1.00 0.04 C ATOM 919 SD MET A 61 -7.460 9.511 -18.278 1.00 60.23 S ATOM 920 CE MET A 61 -9.022 9.532 -19.154 1.00 73.20 C ATOM 0 H MET A 61 -6.356 10.878 -20.955 1.00 63.52 H new ATOM 0 HA MET A 61 -5.168 11.255 -18.372 1.00 12.34 H new ATOM 0 HB2 MET A 61 -4.415 9.119 -20.373 1.00 2.12 H new ATOM 0 HB3 MET A 61 -4.446 9.017 -18.624 1.00 2.12 H new ATOM 0 HG2 MET A 61 -6.798 9.029 -20.529 1.00 0.04 H new ATOM 0 HG3 MET A 61 -6.306 7.756 -19.430 1.00 0.04 H new ATOM 0 HE1 MET A 61 -9.603 10.400 -18.842 1.00 73.20 H new ATOM 0 HE2 MET A 61 -8.837 9.586 -20.227 1.00 73.20 H new ATOM 0 HE3 MET A 61 -9.578 8.622 -18.928 1.00 73.20 H new ATOM 930 N SER A 62 -3.174 11.246 -21.021 1.00 71.44 N ATOM 931 CA SER A 62 -1.874 11.695 -21.507 1.00 75.40 C ATOM 932 C SER A 62 -1.736 13.208 -21.369 1.00 21.45 C ATOM 933 O SER A 62 -0.643 13.723 -21.130 1.00 75.21 O ATOM 934 CB SER A 62 -1.683 11.285 -22.969 1.00 13.33 C ATOM 935 OG SER A 62 -0.771 12.149 -23.625 1.00 31.40 O ATOM 0 H SER A 62 -3.731 10.744 -21.712 1.00 71.44 H new ATOM 0 HA SER A 62 -1.103 11.220 -20.900 1.00 75.40 H new ATOM 0 HB2 SER A 62 -1.317 10.260 -23.018 1.00 13.33 H new ATOM 0 HB3 SER A 62 -2.643 11.305 -23.484 1.00 13.33 H new ATOM 0 HG SER A 62 -0.665 11.866 -24.557 1.00 31.40 H new ATOM 941 N ASP A 63 -2.851 13.914 -21.520 1.00 20.42 N ATOM 942 CA ASP A 63 -2.856 15.368 -21.411 1.00 20.21 C ATOM 943 C ASP A 63 -2.454 15.809 -20.007 1.00 41.00 C ATOM 944 O ASP A 63 -1.964 16.922 -19.811 1.00 73.34 O ATOM 945 CB ASP A 63 -4.239 15.922 -21.757 1.00 31.25 C ATOM 946 CG ASP A 63 -4.184 17.360 -22.232 1.00 54.23 C ATOM 947 OD1 ASP A 63 -3.598 17.608 -23.307 1.00 54.02 O ATOM 948 OD2 ASP A 63 -4.728 18.238 -21.530 1.00 72.14 O ATOM 0 H ASP A 63 -3.763 13.503 -21.718 1.00 20.42 H new ATOM 0 HA ASP A 63 -2.128 15.763 -22.119 1.00 20.21 H new ATOM 0 HB2 ASP A 63 -4.691 15.303 -22.532 1.00 31.25 H new ATOM 0 HB3 ASP A 63 -4.883 15.856 -20.880 1.00 31.25 H new ATOM 953 N TYR A 64 -2.665 14.930 -19.033 1.00 41.44 N ATOM 954 CA TYR A 64 -2.328 15.230 -17.647 1.00 2.51 C ATOM 955 C TYR A 64 -3.401 16.103 -17.002 1.00 23.41 C ATOM 956 O TYR A 64 -3.127 16.851 -16.064 1.00 72.35 O ATOM 957 CB TYR A 64 -0.971 15.932 -17.570 1.00 64.23 C ATOM 958 CG TYR A 64 -0.087 15.421 -16.455 1.00 32.13 C ATOM 959 CD1 TYR A 64 -0.606 15.174 -15.189 1.00 63.34 C ATOM 960 CD2 TYR A 64 1.266 15.186 -16.665 1.00 51.32 C ATOM 961 CE1 TYR A 64 0.198 14.707 -14.167 1.00 13.52 C ATOM 962 CE2 TYR A 64 2.076 14.719 -15.649 1.00 64.30 C ATOM 963 CZ TYR A 64 1.538 14.481 -14.402 1.00 12.14 C ATOM 964 OH TYR A 64 2.342 14.017 -13.386 1.00 62.33 O ATOM 0 H TYR A 64 -3.068 14.004 -19.178 1.00 41.44 H new ATOM 0 HA TYR A 64 -2.274 14.288 -17.101 1.00 2.51 H new ATOM 0 HB2 TYR A 64 -0.452 15.806 -18.520 1.00 64.23 H new ATOM 0 HB3 TYR A 64 -1.132 17.001 -17.434 1.00 64.23 H new ATOM 0 HD1 TYR A 64 -1.655 15.350 -15.001 1.00 63.34 H new ATOM 0 HD2 TYR A 64 1.692 15.372 -17.640 1.00 51.32 H new ATOM 0 HE1 TYR A 64 -0.221 14.520 -13.189 1.00 13.52 H new ATOM 0 HE2 TYR A 64 3.126 14.541 -15.830 1.00 64.30 H new ATOM 0 HH TYR A 64 3.258 13.910 -13.717 1.00 62.33 H new ATOM 974 N ASN A 65 -4.624 15.999 -17.512 1.00 44.21 N ATOM 975 CA ASN A 65 -5.739 16.778 -16.987 1.00 33.22 C ATOM 976 C ASN A 65 -6.750 15.875 -16.286 1.00 54.33 C ATOM 977 O ASN A 65 -7.866 16.296 -15.980 1.00 32.43 O ATOM 978 CB ASN A 65 -6.425 17.551 -18.115 1.00 43.02 C ATOM 979 CG ASN A 65 -7.301 18.675 -17.597 1.00 5.33 C ATOM 980 OD1 ASN A 65 -6.877 19.471 -16.758 1.00 20.41 O ATOM 981 ND2 ASN A 65 -8.529 18.746 -18.095 1.00 74.31 N ATOM 0 H ASN A 65 -4.868 15.383 -18.288 1.00 44.21 H new ATOM 0 HA ASN A 65 -5.344 17.486 -16.259 1.00 33.22 H new ATOM 0 HB2 ASN A 65 -5.668 17.962 -18.782 1.00 43.02 H new ATOM 0 HB3 ASN A 65 -7.031 16.864 -18.706 1.00 43.02 H new ATOM 0 HD21 ASN A 65 -9.164 19.482 -17.784 1.00 74.31 H new ATOM 0 HD22 ASN A 65 -8.838 18.065 -18.789 1.00 74.31 H new ATOM 988 N VAL A 66 -6.352 14.632 -16.035 1.00 42.23 N ATOM 989 CA VAL A 66 -7.222 13.670 -15.369 1.00 42.25 C ATOM 990 C VAL A 66 -7.037 13.717 -13.857 1.00 11.21 C ATOM 991 O VAL A 66 -5.925 13.563 -13.353 1.00 41.21 O ATOM 992 CB VAL A 66 -6.955 12.236 -15.864 1.00 1.11 C ATOM 993 CG1 VAL A 66 -5.524 11.822 -15.554 1.00 75.21 C ATOM 994 CG2 VAL A 66 -7.947 11.265 -15.241 1.00 44.12 C ATOM 0 H VAL A 66 -5.432 14.267 -16.283 1.00 42.23 H new ATOM 0 HA VAL A 66 -8.247 13.946 -15.615 1.00 42.25 H new ATOM 0 HB VAL A 66 -7.088 12.212 -16.946 1.00 1.11 H new ATOM 0 HG11 VAL A 66 -5.354 10.806 -15.911 1.00 75.21 H new ATOM 0 HG12 VAL A 66 -4.833 12.502 -16.051 1.00 75.21 H new ATOM 0 HG13 VAL A 66 -5.359 11.861 -14.477 1.00 75.21 H new ATOM 0 HG21 VAL A 66 -7.744 10.256 -15.601 1.00 44.12 H new ATOM 0 HG22 VAL A 66 -7.847 11.289 -14.156 1.00 44.12 H new ATOM 0 HG23 VAL A 66 -8.961 11.553 -15.519 1.00 44.12 H new ATOM 1004 N GLN A 67 -8.135 13.930 -13.139 1.00 2.54 N ATOM 1005 CA GLN A 67 -8.093 13.998 -11.683 1.00 33.14 C ATOM 1006 C GLN A 67 -9.034 12.970 -11.063 1.00 61.40 C ATOM 1007 O GLN A 67 -9.674 12.192 -11.771 1.00 33.01 O ATOM 1008 CB GLN A 67 -8.468 15.402 -11.205 1.00 43.01 C ATOM 1009 CG GLN A 67 -9.873 15.825 -11.602 1.00 43.24 C ATOM 1010 CD GLN A 67 -10.524 16.726 -10.572 1.00 11.40 C ATOM 1011 OE1 GLN A 67 -10.509 16.434 -9.376 1.00 61.50 O ATOM 1012 NE2 GLN A 67 -11.101 17.831 -11.031 1.00 71.31 N ATOM 0 H GLN A 67 -9.064 14.058 -13.541 1.00 2.54 H new ATOM 0 HA GLN A 67 -7.075 13.773 -11.364 1.00 33.14 H new ATOM 0 HB2 GLN A 67 -8.378 15.443 -10.119 1.00 43.01 H new ATOM 0 HB3 GLN A 67 -7.754 16.118 -11.611 1.00 43.01 H new ATOM 0 HG2 GLN A 67 -9.835 16.343 -12.560 1.00 43.24 H new ATOM 0 HG3 GLN A 67 -10.489 14.937 -11.744 1.00 43.24 H new ATOM 0 HE21 GLN A 67 -11.090 18.035 -12.030 1.00 71.31 H new ATOM 0 HE22 GLN A 67 -11.555 18.476 -10.384 1.00 71.31 H new ATOM 1021 N LYS A 68 -9.112 12.971 -9.737 1.00 34.44 N ATOM 1022 CA LYS A 68 -9.975 12.039 -9.020 1.00 73.21 C ATOM 1023 C LYS A 68 -11.444 12.315 -9.323 1.00 75.22 C ATOM 1024 O LYS A 68 -12.268 11.401 -9.328 1.00 34.13 O ATOM 1025 CB LYS A 68 -9.727 12.138 -7.513 1.00 71.43 C ATOM 1026 CG LYS A 68 -10.220 10.930 -6.735 1.00 62.32 C ATOM 1027 CD LYS A 68 -9.390 9.694 -7.040 1.00 21.22 C ATOM 1028 CE LYS A 68 -8.071 9.707 -6.282 1.00 13.21 C ATOM 1029 NZ LYS A 68 -8.279 9.760 -4.808 1.00 60.13 N ATOM 0 H LYS A 68 -8.588 13.607 -9.136 1.00 34.44 H new ATOM 0 HA LYS A 68 -9.736 11.030 -9.356 1.00 73.21 H new ATOM 0 HB2 LYS A 68 -8.659 12.262 -7.336 1.00 71.43 H new ATOM 0 HB3 LYS A 68 -10.219 13.032 -7.130 1.00 71.43 H new ATOM 0 HG2 LYS A 68 -10.179 11.143 -5.667 1.00 62.32 H new ATOM 0 HG3 LYS A 68 -11.264 10.738 -6.982 1.00 62.32 H new ATOM 0 HD2 LYS A 68 -9.955 8.800 -6.774 1.00 21.22 H new ATOM 0 HD3 LYS A 68 -9.195 9.641 -8.111 1.00 21.22 H new ATOM 0 HE2 LYS A 68 -7.497 8.816 -6.536 1.00 13.21 H new ATOM 0 HE3 LYS A 68 -7.480 10.567 -6.597 1.00 13.21 H new ATOM 0 HZ1 LYS A 68 -7.445 9.369 -4.325 1.00 60.13 H new ATOM 0 HZ2 LYS A 68 -8.419 10.747 -4.512 1.00 60.13 H new ATOM 0 HZ3 LYS A 68 -9.119 9.200 -4.556 1.00 60.13 H new ATOM 1043 N GLU A 69 -11.764 13.580 -9.577 1.00 72.12 N ATOM 1044 CA GLU A 69 -13.135 13.974 -9.882 1.00 4.40 C ATOM 1045 C GLU A 69 -13.159 15.175 -10.823 1.00 45.41 C ATOM 1046 O GLU A 69 -13.301 16.317 -10.386 1.00 54.20 O ATOM 1047 CB GLU A 69 -13.892 14.306 -8.594 1.00 44.44 C ATOM 1048 CG GLU A 69 -13.102 15.176 -7.631 1.00 24.02 C ATOM 1049 CD GLU A 69 -13.966 16.208 -6.933 1.00 73.03 C ATOM 1050 OE1 GLU A 69 -14.856 16.783 -7.595 1.00 24.20 O ATOM 1051 OE2 GLU A 69 -13.753 16.440 -5.725 1.00 13.33 O ATOM 0 H GLU A 69 -11.094 14.349 -9.578 1.00 72.12 H new ATOM 0 HA GLU A 69 -13.625 13.136 -10.378 1.00 4.40 H new ATOM 0 HB2 GLU A 69 -14.822 14.814 -8.850 1.00 44.44 H new ATOM 0 HB3 GLU A 69 -14.163 13.377 -8.092 1.00 44.44 H new ATOM 0 HG2 GLU A 69 -12.624 14.543 -6.884 1.00 24.02 H new ATOM 0 HG3 GLU A 69 -12.305 15.683 -8.175 1.00 24.02 H new ATOM 1058 N SER A 70 -13.017 14.908 -12.117 1.00 41.45 N ATOM 1059 CA SER A 70 -13.018 15.967 -13.121 1.00 23.52 C ATOM 1060 C SER A 70 -14.389 16.090 -13.779 1.00 3.33 C ATOM 1061 O SER A 70 -14.974 15.098 -14.215 1.00 43.30 O ATOM 1062 CB SER A 70 -11.952 15.691 -14.184 1.00 14.32 C ATOM 1063 OG SER A 70 -12.479 15.857 -15.489 1.00 34.42 O ATOM 0 H SER A 70 -12.900 13.968 -12.495 1.00 41.45 H new ATOM 0 HA SER A 70 -12.788 16.908 -12.622 1.00 23.52 H new ATOM 0 HB2 SER A 70 -11.108 16.365 -14.041 1.00 14.32 H new ATOM 0 HB3 SER A 70 -11.572 14.676 -14.068 1.00 14.32 H new ATOM 0 HG SER A 70 -11.778 15.677 -16.150 1.00 34.42 H new ATOM 1069 N THR A 71 -14.897 17.317 -13.847 1.00 30.14 N ATOM 1070 CA THR A 71 -16.199 17.572 -14.449 1.00 51.44 C ATOM 1071 C THR A 71 -16.059 17.958 -15.917 1.00 51.44 C ATOM 1072 O THR A 71 -15.494 19.003 -16.244 1.00 65.43 O ATOM 1073 CB THR A 71 -16.953 18.691 -13.706 1.00 4.32 C ATOM 1074 OG1 THR A 71 -16.033 19.704 -13.282 1.00 61.32 O ATOM 1075 CG2 THR A 71 -17.694 18.135 -12.499 1.00 44.31 C ATOM 0 H THR A 71 -14.426 18.149 -13.492 1.00 30.14 H new ATOM 0 HA THR A 71 -16.770 16.646 -14.371 1.00 51.44 H new ATOM 0 HB THR A 71 -17.681 19.125 -14.391 1.00 4.32 H new ATOM 0 HG1 THR A 71 -16.520 20.413 -12.812 1.00 61.32 H new ATOM 0 HG21 THR A 71 -18.219 18.943 -11.990 1.00 44.31 H new ATOM 0 HG22 THR A 71 -18.414 17.385 -12.828 1.00 44.31 H new ATOM 0 HG23 THR A 71 -16.981 17.677 -11.813 1.00 44.31 H new ATOM 1083 N LEU A 72 -16.578 17.111 -16.799 1.00 63.21 N ATOM 1084 CA LEU A 72 -16.511 17.364 -18.234 1.00 73.22 C ATOM 1085 C LEU A 72 -17.903 17.328 -18.859 1.00 25.15 C ATOM 1086 O LEU A 72 -18.802 16.651 -18.358 1.00 43.33 O ATOM 1087 CB LEU A 72 -15.609 16.332 -18.913 1.00 24.13 C ATOM 1088 CG LEU A 72 -16.316 15.127 -19.533 1.00 63.53 C ATOM 1089 CD1 LEU A 72 -16.606 15.377 -21.005 1.00 44.10 C ATOM 1090 CD2 LEU A 72 -15.477 13.869 -19.360 1.00 21.32 C ATOM 0 H LEU A 72 -17.050 16.243 -16.546 1.00 63.21 H new ATOM 0 HA LEU A 72 -16.091 18.359 -18.383 1.00 73.22 H new ATOM 0 HB2 LEU A 72 -15.039 16.835 -19.694 1.00 24.13 H new ATOM 0 HB3 LEU A 72 -14.890 15.968 -18.179 1.00 24.13 H new ATOM 0 HG LEU A 72 -17.265 14.982 -19.016 1.00 63.53 H new ATOM 0 HD11 LEU A 72 -17.109 14.508 -21.429 1.00 44.10 H new ATOM 0 HD12 LEU A 72 -17.247 16.253 -21.106 1.00 44.10 H new ATOM 0 HD13 LEU A 72 -15.670 15.549 -21.536 1.00 44.10 H new ATOM 0 HD21 LEU A 72 -15.996 13.021 -19.807 1.00 21.32 H new ATOM 0 HD22 LEU A 72 -14.513 14.004 -19.850 1.00 21.32 H new ATOM 0 HD23 LEU A 72 -15.320 13.679 -18.298 1.00 21.32 H new ATOM 1102 N HIS A 73 -18.072 18.059 -19.956 1.00 14.14 N ATOM 1103 CA HIS A 73 -19.354 18.109 -20.650 1.00 61.35 C ATOM 1104 C HIS A 73 -19.371 17.140 -21.829 1.00 63.10 C ATOM 1105 O HIS A 73 -18.554 17.246 -22.745 1.00 50.01 O ATOM 1106 CB HIS A 73 -19.638 19.529 -21.139 1.00 15.31 C ATOM 1107 CG HIS A 73 -21.061 19.747 -21.552 1.00 75.33 C ATOM 1108 ND1 HIS A 73 -21.778 20.876 -21.217 1.00 53.14 N ATOM 1109 CD2 HIS A 73 -21.901 18.972 -22.279 1.00 5.11 C ATOM 1110 CE1 HIS A 73 -22.997 20.786 -21.719 1.00 32.13 C ATOM 1111 NE2 HIS A 73 -23.097 19.640 -22.368 1.00 11.01 N ATOM 0 H HIS A 73 -17.338 18.624 -20.383 1.00 14.14 H new ATOM 0 HA HIS A 73 -20.132 17.813 -19.946 1.00 61.35 H new ATOM 0 HB2 HIS A 73 -19.386 20.234 -20.347 1.00 15.31 H new ATOM 0 HB3 HIS A 73 -18.985 19.751 -21.983 1.00 15.31 H new ATOM 0 HD1 HIS A 73 -21.423 21.659 -20.667 1.00 53.14 H new ATOM 0 HD2 HIS A 73 -21.672 18.008 -22.709 1.00 5.11 H new ATOM 0 HE1 HIS A 73 -23.779 21.524 -21.616 1.00 32.13 H new ATOM 1119 N LEU A 74 -20.305 16.196 -21.799 1.00 64.31 N ATOM 1120 CA LEU A 74 -20.427 15.207 -22.865 1.00 15.03 C ATOM 1121 C LEU A 74 -21.727 15.400 -23.639 1.00 73.22 C ATOM 1122 O LEU A 74 -22.818 15.251 -23.089 1.00 13.34 O ATOM 1123 CB LEU A 74 -20.371 13.793 -22.284 1.00 74.12 C ATOM 1124 CG LEU A 74 -20.856 12.671 -23.203 1.00 23.53 C ATOM 1125 CD1 LEU A 74 -19.964 12.563 -24.430 1.00 22.42 C ATOM 1126 CD2 LEU A 74 -20.896 11.347 -22.452 1.00 51.34 C ATOM 0 H LEU A 74 -20.989 16.094 -21.049 1.00 64.31 H new ATOM 0 HA LEU A 74 -19.592 15.344 -23.552 1.00 15.03 H new ATOM 0 HB2 LEU A 74 -19.341 13.580 -21.996 1.00 74.12 H new ATOM 0 HB3 LEU A 74 -20.968 13.772 -21.372 1.00 74.12 H new ATOM 0 HG LEU A 74 -21.867 12.909 -23.534 1.00 23.53 H new ATOM 0 HD11 LEU A 74 -20.324 11.759 -25.072 1.00 22.42 H new ATOM 0 HD12 LEU A 74 -19.986 13.504 -24.979 1.00 22.42 H new ATOM 0 HD13 LEU A 74 -18.942 12.348 -24.119 1.00 22.42 H new ATOM 0 HD21 LEU A 74 -21.243 10.560 -23.121 1.00 51.34 H new ATOM 0 HD22 LEU A 74 -19.897 11.103 -22.092 1.00 51.34 H new ATOM 0 HD23 LEU A 74 -21.577 11.430 -21.605 1.00 51.34 H new ATOM 1138 N VAL A 75 -21.603 15.730 -24.921 1.00 32.31 N ATOM 1139 CA VAL A 75 -22.768 15.939 -25.773 1.00 2.54 C ATOM 1140 C VAL A 75 -22.875 14.851 -26.835 1.00 43.41 C ATOM 1141 O VAL A 75 -21.869 14.414 -27.396 1.00 4.45 O ATOM 1142 CB VAL A 75 -22.717 17.314 -26.465 1.00 5.41 C ATOM 1143 CG1 VAL A 75 -23.954 17.527 -27.323 1.00 71.34 C ATOM 1144 CG2 VAL A 75 -22.576 18.424 -25.434 1.00 43.42 C ATOM 0 H VAL A 75 -20.708 15.858 -25.392 1.00 32.31 H new ATOM 0 HA VAL A 75 -23.645 15.898 -25.126 1.00 2.54 H new ATOM 0 HB VAL A 75 -21.844 17.341 -27.117 1.00 5.41 H new ATOM 0 HG11 VAL A 75 -23.900 18.504 -27.804 1.00 71.34 H new ATOM 0 HG12 VAL A 75 -24.006 16.750 -28.085 1.00 71.34 H new ATOM 0 HG13 VAL A 75 -24.844 17.480 -26.696 1.00 71.34 H new ATOM 0 HG21 VAL A 75 -22.542 19.389 -25.940 1.00 43.42 H new ATOM 0 HG22 VAL A 75 -23.429 18.401 -24.755 1.00 43.42 H new ATOM 0 HG23 VAL A 75 -21.657 18.279 -24.867 1.00 43.42 H new ATOM 1154 N LEU A 76 -24.100 14.418 -27.109 1.00 33.14 N ATOM 1155 CA LEU A 76 -24.340 13.380 -28.105 1.00 50.15 C ATOM 1156 C LEU A 76 -25.324 13.861 -29.167 1.00 12.53 C ATOM 1157 O LEU A 76 -26.317 14.518 -28.854 1.00 14.40 O ATOM 1158 CB LEU A 76 -24.875 12.114 -27.434 1.00 12.21 C ATOM 1159 CG LEU A 76 -24.980 12.156 -25.909 1.00 42.30 C ATOM 1160 CD1 LEU A 76 -25.829 11.002 -25.400 1.00 63.42 C ATOM 1161 CD2 LEU A 76 -23.595 12.121 -25.278 1.00 54.33 C ATOM 0 H LEU A 76 -24.943 14.770 -26.655 1.00 33.14 H new ATOM 0 HA LEU A 76 -23.391 13.152 -28.591 1.00 50.15 H new ATOM 0 HB2 LEU A 76 -25.864 11.901 -27.841 1.00 12.21 H new ATOM 0 HB3 LEU A 76 -24.230 11.280 -27.711 1.00 12.21 H new ATOM 0 HG LEU A 76 -25.464 13.090 -25.623 1.00 42.30 H new ATOM 0 HD11 LEU A 76 -25.892 11.049 -24.313 1.00 63.42 H new ATOM 0 HD12 LEU A 76 -26.830 11.072 -25.825 1.00 63.42 H new ATOM 0 HD13 LEU A 76 -25.374 10.057 -25.697 1.00 63.42 H new ATOM 0 HD21 LEU A 76 -23.689 12.152 -24.192 1.00 54.33 H new ATOM 0 HD22 LEU A 76 -23.084 11.204 -25.572 1.00 54.33 H new ATOM 0 HD23 LEU A 76 -23.019 12.982 -25.617 1.00 54.33 H new ATOM 1173 N ARG A 77 -25.043 13.528 -30.422 1.00 44.31 N ATOM 1174 CA ARG A 77 -25.904 13.926 -31.529 1.00 64.25 C ATOM 1175 C ARG A 77 -26.730 12.743 -32.027 1.00 43.33 C ATOM 1176 O ARG A 77 -26.808 12.489 -33.230 1.00 43.20 O ATOM 1177 CB ARG A 77 -25.066 14.495 -32.676 1.00 22.01 C ATOM 1178 CG ARG A 77 -24.128 15.612 -32.249 1.00 12.44 C ATOM 1179 CD ARG A 77 -22.671 15.196 -32.376 1.00 11.22 C ATOM 1180 NE ARG A 77 -21.817 16.311 -32.776 1.00 65.22 N ATOM 1181 CZ ARG A 77 -20.522 16.184 -33.048 1.00 34.13 C ATOM 1182 NH1 ARG A 77 -19.937 14.997 -32.963 1.00 11.33 N ATOM 1183 NH2 ARG A 77 -19.811 17.245 -33.406 1.00 12.33 N ATOM 0 H ARG A 77 -24.226 12.984 -30.698 1.00 44.31 H new ATOM 0 HA ARG A 77 -26.585 14.697 -31.168 1.00 64.25 H new ATOM 0 HB2 ARG A 77 -24.480 13.690 -33.121 1.00 22.01 H new ATOM 0 HB3 ARG A 77 -25.734 14.870 -33.452 1.00 22.01 H new ATOM 0 HG2 ARG A 77 -24.310 16.495 -32.861 1.00 12.44 H new ATOM 0 HG3 ARG A 77 -24.339 15.891 -31.217 1.00 12.44 H new ATOM 0 HD2 ARG A 77 -22.324 14.797 -31.423 1.00 11.22 H new ATOM 0 HD3 ARG A 77 -22.586 14.393 -33.108 1.00 11.22 H new ATOM 0 HE ARG A 77 -22.237 17.238 -32.851 1.00 65.22 H new ATOM 0 HH11 ARG A 77 -20.481 14.179 -32.688 1.00 11.33 H new ATOM 0 HH12 ARG A 77 -18.943 14.902 -33.172 1.00 11.33 H new ATOM 0 HH21 ARG A 77 -20.258 18.159 -33.473 1.00 12.33 H new ATOM 0 HH22 ARG A 77 -18.817 17.146 -33.614 1.00 12.33 H new ATOM 1197 N LEU A 78 -27.344 12.024 -31.095 1.00 71.51 N ATOM 1198 CA LEU A 78 -28.164 10.867 -31.438 1.00 54.15 C ATOM 1199 C LEU A 78 -29.309 11.267 -32.365 1.00 24.24 C ATOM 1200 O LEU A 78 -29.574 10.599 -33.364 1.00 23.40 O ATOM 1201 CB LEU A 78 -28.722 10.218 -30.171 1.00 13.24 C ATOM 1202 CG LEU A 78 -28.046 8.920 -29.728 1.00 11.35 C ATOM 1203 CD1 LEU A 78 -26.909 9.214 -28.761 1.00 62.35 C ATOM 1204 CD2 LEU A 78 -29.060 7.981 -29.091 1.00 31.01 C ATOM 0 H LEU A 78 -27.290 12.221 -30.096 1.00 71.51 H new ATOM 0 HA LEU A 78 -27.533 10.147 -31.959 1.00 54.15 H new ATOM 0 HB2 LEU A 78 -28.650 10.938 -29.356 1.00 13.24 H new ATOM 0 HB3 LEU A 78 -29.782 10.017 -30.326 1.00 13.24 H new ATOM 0 HG LEU A 78 -27.630 8.430 -30.609 1.00 11.35 H new ATOM 0 HD11 LEU A 78 -26.439 8.279 -28.456 1.00 62.35 H new ATOM 0 HD12 LEU A 78 -26.170 9.848 -29.250 1.00 62.35 H new ATOM 0 HD13 LEU A 78 -27.302 9.726 -27.882 1.00 62.35 H new ATOM 0 HD21 LEU A 78 -28.561 7.062 -28.782 1.00 31.01 H new ATOM 0 HD22 LEU A 78 -29.505 8.463 -28.221 1.00 31.01 H new ATOM 0 HD23 LEU A 78 -29.841 7.744 -29.814 1.00 31.01 H new ATOM 1216 N ARG A 79 -29.982 12.362 -32.026 1.00 62.34 N ATOM 1217 CA ARG A 79 -31.097 12.851 -32.828 1.00 42.11 C ATOM 1218 C ARG A 79 -32.178 11.783 -32.965 1.00 62.15 C ATOM 1219 O ARG A 79 -32.755 11.604 -34.037 1.00 31.31 O ATOM 1220 CB ARG A 79 -30.608 13.278 -34.213 1.00 41.33 C ATOM 1221 CG ARG A 79 -31.356 14.473 -34.781 1.00 50.24 C ATOM 1222 CD ARG A 79 -30.408 15.611 -35.128 1.00 60.50 C ATOM 1223 NE ARG A 79 -29.783 15.423 -36.435 1.00 11.33 N ATOM 1224 CZ ARG A 79 -30.423 15.594 -37.586 1.00 45.54 C ATOM 1225 NH1 ARG A 79 -31.698 15.955 -37.593 1.00 13.21 N ATOM 1226 NH2 ARG A 79 -29.785 15.405 -38.735 1.00 14.22 N ATOM 0 H ARG A 79 -29.775 12.927 -31.202 1.00 62.34 H new ATOM 0 HA ARG A 79 -31.526 13.714 -32.320 1.00 42.11 H new ATOM 0 HB2 ARG A 79 -29.546 13.518 -34.156 1.00 41.33 H new ATOM 0 HB3 ARG A 79 -30.708 12.437 -34.900 1.00 41.33 H new ATOM 0 HG2 ARG A 79 -31.904 14.170 -35.673 1.00 50.24 H new ATOM 0 HG3 ARG A 79 -32.093 14.820 -34.057 1.00 50.24 H new ATOM 0 HD2 ARG A 79 -30.955 16.554 -35.120 1.00 60.50 H new ATOM 0 HD3 ARG A 79 -29.635 15.685 -34.363 1.00 60.50 H new ATOM 0 HE ARG A 79 -28.802 15.145 -36.465 1.00 11.33 H new ATOM 0 HH11 ARG A 79 -32.191 16.103 -36.712 1.00 13.21 H new ATOM 0 HH12 ARG A 79 -32.186 16.085 -38.479 1.00 13.21 H new ATOM 0 HH21 ARG A 79 -28.803 15.128 -38.734 1.00 14.22 H new ATOM 0 HH22 ARG A 79 -30.277 15.536 -39.619 1.00 14.22 H new ATOM 1240 N GLY A 80 -32.446 11.075 -31.872 1.00 41.21 N ATOM 1241 CA GLY A 80 -33.456 10.033 -31.892 1.00 1.40 C ATOM 1242 C GLY A 80 -32.976 8.774 -32.586 1.00 55.24 C ATOM 1243 O GLY A 80 -33.115 8.636 -33.801 1.00 22.30 O ATOM 0 H GLY A 80 -31.982 11.204 -30.973 1.00 41.21 H new ATOM 0 HA2 GLY A 80 -33.746 9.792 -30.869 1.00 1.40 H new ATOM 0 HA3 GLY A 80 -34.348 10.405 -32.397 1.00 1.40 H new ATOM 1247 N GLY A 81 -32.409 7.853 -31.813 1.00 41.24 N ATOM 1248 CA GLY A 81 -31.914 6.612 -32.380 1.00 31.15 C ATOM 1249 C GLY A 81 -32.036 5.447 -31.418 1.00 23.24 C ATOM 1250 O GLY A 81 -33.104 5.204 -30.856 1.00 53.54 O ATOM 0 H GLY A 81 -32.284 7.944 -30.805 1.00 41.24 H new ATOM 0 HA2 GLY A 81 -32.467 6.386 -33.292 1.00 31.15 H new ATOM 0 HA3 GLY A 81 -30.869 6.737 -32.664 1.00 31.15 H new ATOM 1254 N VAL A 82 -30.938 4.722 -31.227 1.00 71.41 N ATOM 1255 CA VAL A 82 -30.926 3.575 -30.327 1.00 32.32 C ATOM 1256 C VAL A 82 -31.164 4.006 -28.884 1.00 51.21 C ATOM 1257 O VAL A 82 -31.004 5.177 -28.541 1.00 42.41 O ATOM 1258 CB VAL A 82 -29.592 2.810 -30.409 1.00 44.42 C ATOM 1259 CG1 VAL A 82 -29.590 1.633 -29.447 1.00 33.35 C ATOM 1260 CG2 VAL A 82 -29.331 2.345 -31.834 1.00 15.20 C ATOM 0 H VAL A 82 -30.045 4.909 -31.684 1.00 71.41 H new ATOM 0 HA VAL A 82 -31.734 2.916 -30.645 1.00 32.32 H new ATOM 0 HB VAL A 82 -28.788 3.486 -30.119 1.00 44.42 H new ATOM 0 HG11 VAL A 82 -28.639 1.105 -29.520 1.00 33.35 H new ATOM 0 HG12 VAL A 82 -29.727 1.996 -28.428 1.00 33.35 H new ATOM 0 HG13 VAL A 82 -30.403 0.953 -29.702 1.00 33.35 H new ATOM 0 HG21 VAL A 82 -28.384 1.806 -31.873 1.00 15.20 H new ATOM 0 HG22 VAL A 82 -30.137 1.686 -32.155 1.00 15.20 H new ATOM 0 HG23 VAL A 82 -29.284 3.210 -32.496 1.00 15.20 H new TER 1270 VAL A 82