USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 721 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 53 SER OG : rot -170:sc= 0 USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0901 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -140:sc= 0.0428 USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00398 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -140:sc= 0.409 (180deg=0.0212) USER MOD Single : A 48 THR OG1 : rot 171:sc= -0.166 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 154:sc= -0.0362 (180deg=-0.584) USER MOD Single : A 66 GLN : amide:sc= 0.851 K(o=0.85,f=-7.3!) USER MOD Single : A 70 SER OG : rot 167:sc= 1.27 USER MOD Single : A 71 THR OG1 : rot -42:sc= 0.277 USER MOD Single : A 102 HIS : no HD1:sc= -0.868 K(o=-0.87,f=-0.25) USER MOD Single : A 105 THR OG1 : rot -24:sc= 0.51 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.452 -18.248 11.021 1.00 41.45 N ATOM 2 CA GLY A 1 -11.978 -17.100 11.810 1.00 55.12 C ATOM 3 C GLY A 1 -12.298 -15.828 11.050 1.00 61.51 C ATOM 4 O GLY A 1 -13.344 -15.764 10.404 1.00 51.35 O ATOM 0 H1 GLY A 1 -12.813 -18.984 11.661 1.00 41.45 H new ATOM 0 H2 GLY A 1 -13.214 -17.940 10.383 1.00 41.45 H new ATOM 0 H3 GLY A 1 -11.665 -18.632 10.460 1.00 41.45 H new ATOM 0 HA2 GLY A 1 -12.459 -17.088 12.788 1.00 55.12 H new ATOM 0 HA3 GLY A 1 -10.905 -17.177 11.984 1.00 55.12 H new ATOM 8 N MET A 2 -11.411 -14.825 11.056 1.00 22.44 N ATOM 9 CA MET A 2 -11.564 -13.703 10.126 1.00 40.31 C ATOM 10 C MET A 2 -11.511 -14.235 8.689 1.00 52.12 C ATOM 11 O MET A 2 -10.790 -15.202 8.410 1.00 14.41 O ATOM 12 CB MET A 2 -10.503 -12.623 10.354 1.00 72.23 C ATOM 13 CG MET A 2 -10.608 -12.024 11.762 1.00 23.22 C ATOM 14 SD MET A 2 -9.616 -10.533 12.041 1.00 71.11 S ATOM 15 CE MET A 2 -7.962 -11.252 12.201 1.00 4.42 C ATOM 0 H MET A 2 -10.603 -14.767 11.676 1.00 22.44 H new ATOM 0 HA MET A 2 -12.530 -13.230 10.304 1.00 40.31 H new ATOM 0 HB2 MET A 2 -9.510 -13.050 10.212 1.00 72.23 H new ATOM 0 HB3 MET A 2 -10.620 -11.834 9.611 1.00 72.23 H new ATOM 0 HG2 MET A 2 -11.653 -11.789 11.963 1.00 23.22 H new ATOM 0 HG3 MET A 2 -10.307 -12.782 12.485 1.00 23.22 H new ATOM 0 HE1 MET A 2 -7.236 -10.458 12.377 1.00 4.42 H new ATOM 0 HE2 MET A 2 -7.948 -11.949 13.039 1.00 4.42 H new ATOM 0 HE3 MET A 2 -7.705 -11.782 11.284 1.00 4.42 H new ATOM 23 N LEU A 3 -12.307 -13.656 7.794 1.00 23.23 N ATOM 24 CA LEU A 3 -12.558 -14.192 6.452 1.00 41.25 C ATOM 25 C LEU A 3 -12.776 -13.034 5.478 1.00 13.22 C ATOM 26 O LEU A 3 -13.858 -12.801 4.932 1.00 42.31 O ATOM 27 CB LEU A 3 -13.739 -15.184 6.504 1.00 74.44 C ATOM 28 CG LEU A 3 -13.703 -16.319 5.462 1.00 21.32 C ATOM 29 CD1 LEU A 3 -13.639 -15.834 4.010 1.00 71.41 C ATOM 30 CD2 LEU A 3 -12.541 -17.282 5.742 1.00 40.51 C ATOM 0 H LEU A 3 -12.806 -12.786 7.981 1.00 23.23 H new ATOM 0 HA LEU A 3 -11.697 -14.753 6.088 1.00 41.25 H new ATOM 0 HB2 LEU A 3 -13.772 -15.629 7.498 1.00 74.44 H new ATOM 0 HB3 LEU A 3 -14.666 -14.625 6.374 1.00 74.44 H new ATOM 0 HG LEU A 3 -14.654 -16.841 5.571 1.00 21.32 H new ATOM 0 HD11 LEU A 3 -13.617 -16.693 3.340 1.00 71.41 H new ATOM 0 HD12 LEU A 3 -14.516 -15.226 3.791 1.00 71.41 H new ATOM 0 HD13 LEU A 3 -12.738 -15.237 3.865 1.00 71.41 H new ATOM 0 HD21 LEU A 3 -12.537 -18.074 4.993 1.00 40.51 H new ATOM 0 HD22 LEU A 3 -11.598 -16.737 5.699 1.00 40.51 H new ATOM 0 HD23 LEU A 3 -12.662 -17.720 6.733 1.00 40.51 H new ATOM 41 N LEU A 4 -11.722 -12.249 5.313 1.00 21.24 N ATOM 42 CA LEU A 4 -11.661 -11.080 4.441 1.00 63.22 C ATOM 43 C LEU A 4 -11.138 -11.501 3.062 1.00 22.12 C ATOM 44 O LEU A 4 -10.642 -12.618 2.897 1.00 54.53 O ATOM 45 CB LEU A 4 -10.745 -10.034 5.100 1.00 52.33 C ATOM 46 CG LEU A 4 -11.360 -9.163 6.214 1.00 33.50 C ATOM 47 CD1 LEU A 4 -12.254 -8.091 5.602 1.00 75.13 C ATOM 48 CD2 LEU A 4 -12.133 -9.932 7.288 1.00 62.21 C ATOM 0 H LEU A 4 -10.844 -12.415 5.805 1.00 21.24 H new ATOM 0 HA LEU A 4 -12.650 -10.643 4.301 1.00 63.22 H new ATOM 0 HB2 LEU A 4 -9.882 -10.554 5.515 1.00 52.33 H new ATOM 0 HB3 LEU A 4 -10.372 -9.371 4.319 1.00 52.33 H new ATOM 0 HG LEU A 4 -10.511 -8.717 6.732 1.00 33.50 H new ATOM 0 HD11 LEU A 4 -12.685 -7.480 6.395 1.00 75.13 H new ATOM 0 HD12 LEU A 4 -11.663 -7.460 4.938 1.00 75.13 H new ATOM 0 HD13 LEU A 4 -13.055 -8.565 5.034 1.00 75.13 H new ATOM 0 HD21 LEU A 4 -12.526 -9.232 8.025 1.00 62.21 H new ATOM 0 HD22 LEU A 4 -12.958 -10.473 6.825 1.00 62.21 H new ATOM 0 HD23 LEU A 4 -11.466 -10.640 7.780 1.00 62.21 H new ATOM 59 N SER A 5 -11.230 -10.613 2.069 1.00 32.12 N ATOM 60 CA SER A 5 -10.587 -10.781 0.767 1.00 73.32 C ATOM 61 C SER A 5 -9.691 -9.573 0.497 1.00 71.33 C ATOM 62 O SER A 5 -9.900 -8.514 1.092 1.00 13.32 O ATOM 63 CB SER A 5 -11.625 -10.918 -0.359 1.00 63.04 C ATOM 64 OG SER A 5 -12.878 -11.444 0.049 1.00 14.20 O ATOM 0 H SER A 5 -11.761 -9.746 2.150 1.00 32.12 H new ATOM 0 HA SER A 5 -9.995 -11.696 0.788 1.00 73.32 H new ATOM 0 HB2 SER A 5 -11.787 -9.937 -0.807 1.00 63.04 H new ATOM 0 HB3 SER A 5 -11.213 -11.560 -1.138 1.00 63.04 H new ATOM 0 HG SER A 5 -13.478 -11.496 -0.724 1.00 14.20 H new ATOM 69 N THR A 6 -8.768 -9.691 -0.456 1.00 52.23 N ATOM 70 CA THR A 6 -7.911 -8.604 -0.900 1.00 42.42 C ATOM 71 C THR A 6 -8.740 -7.383 -1.308 1.00 31.42 C ATOM 72 O THR A 6 -8.501 -6.276 -0.819 1.00 3.54 O ATOM 73 CB THR A 6 -6.987 -9.099 -2.019 1.00 1.43 C ATOM 74 OG1 THR A 6 -6.539 -10.420 -1.757 1.00 63.05 O ATOM 75 CG2 THR A 6 -5.793 -8.159 -2.108 1.00 32.00 C ATOM 0 H THR A 6 -8.595 -10.567 -0.949 1.00 52.23 H new ATOM 0 HA THR A 6 -7.279 -8.277 -0.074 1.00 42.42 H new ATOM 0 HB THR A 6 -7.535 -9.110 -2.961 1.00 1.43 H new ATOM 0 HG1 THR A 6 -5.595 -10.501 -2.009 1.00 63.05 H new ATOM 0 HG21 THR A 6 -5.123 -8.495 -2.900 1.00 32.00 H new ATOM 0 HG22 THR A 6 -6.140 -7.150 -2.331 1.00 32.00 H new ATOM 0 HG23 THR A 6 -5.259 -8.158 -1.158 1.00 32.00 H new ATOM 83 N ASP A 7 -9.766 -7.616 -2.133 1.00 55.32 N ATOM 84 CA ASP A 7 -10.698 -6.598 -2.615 1.00 3.34 C ATOM 85 C ASP A 7 -11.320 -5.810 -1.452 1.00 71.11 C ATOM 86 O ASP A 7 -11.491 -4.594 -1.545 1.00 14.20 O ATOM 87 CB ASP A 7 -11.775 -7.298 -3.455 1.00 51.52 C ATOM 88 CG ASP A 7 -12.904 -6.359 -3.881 1.00 2.33 C ATOM 89 OD1 ASP A 7 -12.693 -5.502 -4.766 1.00 55.31 O ATOM 90 OD2 ASP A 7 -14.040 -6.553 -3.380 1.00 14.54 O ATOM 0 H ASP A 7 -9.975 -8.547 -2.493 1.00 55.32 H new ATOM 0 HA ASP A 7 -10.165 -5.871 -3.228 1.00 3.34 H new ATOM 0 HB2 ASP A 7 -11.313 -7.728 -4.344 1.00 51.52 H new ATOM 0 HB3 ASP A 7 -12.194 -8.125 -2.882 1.00 51.52 H new ATOM 94 N ILE A 8 -11.603 -6.490 -0.332 1.00 2.10 N ATOM 95 CA ILE A 8 -12.262 -5.927 0.842 1.00 22.10 C ATOM 96 C ILE A 8 -11.361 -4.921 1.557 1.00 11.11 C ATOM 97 O ILE A 8 -11.809 -3.819 1.886 1.00 61.01 O ATOM 98 CB ILE A 8 -12.713 -7.021 1.827 1.00 0.33 C ATOM 99 CG1 ILE A 8 -13.581 -8.107 1.174 1.00 34.44 C ATOM 100 CG2 ILE A 8 -13.452 -6.360 3.003 1.00 72.01 C ATOM 101 CD1 ILE A 8 -14.873 -7.626 0.526 1.00 55.35 C ATOM 0 H ILE A 8 -11.370 -7.477 -0.221 1.00 2.10 H new ATOM 0 HA ILE A 8 -13.150 -5.407 0.482 1.00 22.10 H new ATOM 0 HB ILE A 8 -11.820 -7.535 2.183 1.00 0.33 H new ATOM 0 HG12 ILE A 8 -12.984 -8.615 0.416 1.00 34.44 H new ATOM 0 HG13 ILE A 8 -13.832 -8.849 1.932 1.00 34.44 H new ATOM 0 HG21 ILE A 8 -13.776 -7.127 3.707 1.00 72.01 H new ATOM 0 HG22 ILE A 8 -12.783 -5.663 3.508 1.00 72.01 H new ATOM 0 HG23 ILE A 8 -14.322 -5.820 2.629 1.00 72.01 H new ATOM 0 HD11 ILE A 8 -15.404 -8.476 0.098 1.00 55.35 H new ATOM 0 HD12 ILE A 8 -15.501 -7.147 1.278 1.00 55.35 H new ATOM 0 HD13 ILE A 8 -14.640 -6.910 -0.262 1.00 55.35 H new ATOM 112 N TRP A 9 -10.117 -5.298 1.879 1.00 64.15 N ATOM 113 CA TRP A 9 -9.257 -4.379 2.619 1.00 0.13 C ATOM 114 C TRP A 9 -8.949 -3.162 1.765 1.00 23.20 C ATOM 115 O TRP A 9 -8.928 -2.053 2.298 1.00 0.42 O ATOM 116 CB TRP A 9 -7.935 -5.004 3.047 1.00 13.43 C ATOM 117 CG TRP A 9 -8.000 -6.218 3.921 1.00 35.30 C ATOM 118 CD1 TRP A 9 -8.586 -6.325 5.135 1.00 41.24 C ATOM 119 CD2 TRP A 9 -7.532 -7.555 3.597 1.00 61.41 C ATOM 120 NE1 TRP A 9 -8.364 -7.593 5.640 1.00 40.03 N ATOM 121 CE2 TRP A 9 -7.796 -8.418 4.693 1.00 12.01 C ATOM 122 CE3 TRP A 9 -6.951 -8.131 2.455 1.00 3.43 C ATOM 123 CZ2 TRP A 9 -7.512 -9.791 4.640 1.00 74.32 C ATOM 124 CZ3 TRP A 9 -6.778 -9.524 2.348 1.00 1.11 C ATOM 125 CH2 TRP A 9 -7.050 -10.358 3.444 1.00 11.14 C ATOM 0 H TRP A 9 -9.699 -6.199 1.647 1.00 64.15 H new ATOM 0 HA TRP A 9 -9.807 -4.107 3.520 1.00 0.13 H new ATOM 0 HB2 TRP A 9 -7.379 -5.266 2.147 1.00 13.43 H new ATOM 0 HB3 TRP A 9 -7.356 -4.243 3.570 1.00 13.43 H new ATOM 0 HD1 TRP A 9 -9.140 -5.543 5.632 1.00 41.24 H new ATOM 0 HE1 TRP A 9 -8.591 -7.881 6.592 1.00 40.03 H new ATOM 0 HE3 TRP A 9 -6.631 -7.493 1.644 1.00 3.43 H new ATOM 0 HZ2 TRP A 9 -7.649 -10.408 5.516 1.00 74.32 H new ATOM 0 HZ3 TRP A 9 -6.434 -9.953 1.418 1.00 1.11 H new ATOM 0 HH2 TRP A 9 -6.905 -11.425 3.367 1.00 11.14 H new ATOM 135 N VAL A 10 -8.730 -3.369 0.463 1.00 33.30 N ATOM 136 CA VAL A 10 -8.482 -2.294 -0.475 1.00 12.53 C ATOM 137 C VAL A 10 -9.676 -1.332 -0.456 1.00 51.11 C ATOM 138 O VAL A 10 -9.485 -0.119 -0.323 1.00 74.14 O ATOM 139 CB VAL A 10 -8.185 -2.901 -1.863 1.00 44.54 C ATOM 140 CG1 VAL A 10 -8.201 -1.849 -2.975 1.00 72.45 C ATOM 141 CG2 VAL A 10 -6.814 -3.598 -1.853 1.00 74.42 C ATOM 0 H VAL A 10 -8.722 -4.296 0.038 1.00 33.30 H new ATOM 0 HA VAL A 10 -7.606 -1.707 -0.199 1.00 12.53 H new ATOM 0 HB VAL A 10 -8.976 -3.622 -2.069 1.00 44.54 H new ATOM 0 HG11 VAL A 10 -7.987 -2.327 -3.931 1.00 72.45 H new ATOM 0 HG12 VAL A 10 -9.183 -1.379 -3.017 1.00 72.45 H new ATOM 0 HG13 VAL A 10 -7.444 -1.092 -2.770 1.00 72.45 H new ATOM 0 HG21 VAL A 10 -6.615 -4.023 -2.837 1.00 74.42 H new ATOM 0 HG22 VAL A 10 -6.039 -2.872 -1.607 1.00 74.42 H new ATOM 0 HG23 VAL A 10 -6.816 -4.394 -1.108 1.00 74.42 H new ATOM 151 N ALA A 11 -10.899 -1.863 -0.549 1.00 31.12 N ATOM 152 CA ALA A 11 -12.118 -1.074 -0.550 1.00 1.23 C ATOM 153 C ALA A 11 -12.214 -0.199 0.702 1.00 3.21 C ATOM 154 O ALA A 11 -12.409 1.011 0.608 1.00 72.21 O ATOM 155 CB ALA A 11 -13.320 -2.019 -0.651 1.00 62.35 C ATOM 0 H ALA A 11 -11.064 -2.867 -0.626 1.00 31.12 H new ATOM 0 HA ALA A 11 -12.109 -0.403 -1.409 1.00 1.23 H new ATOM 0 HB1 ALA A 11 -14.241 -1.437 -0.653 1.00 62.35 H new ATOM 0 HB2 ALA A 11 -13.253 -2.595 -1.574 1.00 62.35 H new ATOM 0 HB3 ALA A 11 -13.321 -2.698 0.201 1.00 62.35 H new ATOM 161 N ALA A 12 -12.057 -0.815 1.877 1.00 15.12 N ATOM 162 CA ALA A 12 -12.132 -0.138 3.162 1.00 72.32 C ATOM 163 C ALA A 12 -11.102 0.980 3.243 1.00 72.22 C ATOM 164 O ALA A 12 -11.423 2.114 3.582 1.00 31.11 O ATOM 165 CB ALA A 12 -11.894 -1.166 4.276 1.00 74.43 C ATOM 0 H ALA A 12 -11.871 -1.815 1.957 1.00 15.12 H new ATOM 0 HA ALA A 12 -13.119 0.310 3.279 1.00 72.32 H new ATOM 0 HB1 ALA A 12 -11.948 -0.671 5.246 1.00 74.43 H new ATOM 0 HB2 ALA A 12 -12.656 -1.943 4.223 1.00 74.43 H new ATOM 0 HB3 ALA A 12 -10.909 -1.615 4.152 1.00 74.43 H new ATOM 171 N LEU A 13 -9.848 0.649 2.960 1.00 74.21 N ATOM 172 CA LEU A 13 -8.725 1.557 3.055 1.00 72.14 C ATOM 173 C LEU A 13 -8.916 2.794 2.173 1.00 34.24 C ATOM 174 O LEU A 13 -8.751 3.903 2.679 1.00 61.25 O ATOM 175 CB LEU A 13 -7.442 0.771 2.773 1.00 62.14 C ATOM 176 CG LEU A 13 -6.243 1.680 2.478 1.00 73.15 C ATOM 177 CD1 LEU A 13 -5.868 2.569 3.674 1.00 71.33 C ATOM 178 CD2 LEU A 13 -5.026 0.796 2.174 1.00 11.02 C ATOM 0 H LEU A 13 -9.583 -0.286 2.650 1.00 74.21 H new ATOM 0 HA LEU A 13 -8.649 1.964 4.063 1.00 72.14 H new ATOM 0 HB2 LEU A 13 -7.212 0.140 3.631 1.00 62.14 H new ATOM 0 HB3 LEU A 13 -7.607 0.107 1.924 1.00 62.14 H new ATOM 0 HG LEU A 13 -6.520 2.320 1.640 1.00 73.15 H new ATOM 0 HD11 LEU A 13 -5.013 3.192 3.410 1.00 71.33 H new ATOM 0 HD12 LEU A 13 -6.714 3.205 3.934 1.00 71.33 H new ATOM 0 HD13 LEU A 13 -5.610 1.941 4.527 1.00 71.33 H new ATOM 0 HD21 LEU A 13 -4.162 1.426 1.961 1.00 11.02 H new ATOM 0 HD22 LEU A 13 -4.811 0.164 3.036 1.00 11.02 H new ATOM 0 HD23 LEU A 13 -5.239 0.169 1.308 1.00 11.02 H new ATOM 189 N ILE A 14 -9.283 2.640 0.896 1.00 35.42 N ATOM 190 CA ILE A 14 -9.543 3.797 0.035 1.00 33.21 C ATOM 191 C ILE A 14 -10.592 4.695 0.670 1.00 74.25 C ATOM 192 O ILE A 14 -10.382 5.898 0.794 1.00 12.51 O ATOM 193 CB ILE A 14 -9.969 3.344 -1.376 1.00 31.01 C ATOM 194 CG1 ILE A 14 -8.799 2.738 -2.158 1.00 23.12 C ATOM 195 CG2 ILE A 14 -10.557 4.477 -2.227 1.00 54.31 C ATOM 196 CD1 ILE A 14 -7.575 3.652 -2.251 1.00 4.22 C ATOM 0 H ILE A 14 -9.405 1.736 0.440 1.00 35.42 H new ATOM 0 HA ILE A 14 -8.623 4.371 -0.070 1.00 33.21 H new ATOM 0 HB ILE A 14 -10.741 2.595 -1.200 1.00 31.01 H new ATOM 0 HG12 ILE A 14 -8.505 1.801 -1.685 1.00 23.12 H new ATOM 0 HG13 ILE A 14 -9.136 2.495 -3.166 1.00 23.12 H new ATOM 0 HG21 ILE A 14 -10.836 4.089 -3.207 1.00 54.31 H new ATOM 0 HG22 ILE A 14 -11.440 4.883 -1.733 1.00 54.31 H new ATOM 0 HG23 ILE A 14 -9.814 5.265 -2.347 1.00 54.31 H new ATOM 0 HD11 ILE A 14 -6.790 3.152 -2.819 1.00 4.22 H new ATOM 0 HD12 ILE A 14 -7.851 4.580 -2.752 1.00 4.22 H new ATOM 0 HD13 ILE A 14 -7.211 3.876 -1.248 1.00 4.22 H new ATOM 207 N ARG A 15 -11.689 4.102 1.133 1.00 14.21 N ATOM 208 CA ARG A 15 -12.786 4.810 1.724 1.00 20.32 C ATOM 209 C ARG A 15 -12.282 5.600 2.935 1.00 12.20 C ATOM 210 O ARG A 15 -12.594 6.777 3.069 1.00 21.33 O ATOM 211 CB ARG A 15 -13.893 3.768 1.988 1.00 4.53 C ATOM 212 CG ARG A 15 -14.963 4.378 2.872 1.00 31.32 C ATOM 213 CD ARG A 15 -16.395 3.878 2.630 1.00 15.14 C ATOM 214 NE ARG A 15 -16.663 2.547 3.202 1.00 51.53 N ATOM 215 CZ ARG A 15 -16.998 2.285 4.470 1.00 42.51 C ATOM 216 NH1 ARG A 15 -17.174 3.263 5.352 1.00 4.32 N ATOM 217 NH2 ARG A 15 -17.120 1.028 4.879 1.00 62.33 N ATOM 0 H ARG A 15 -11.829 3.092 1.100 1.00 14.21 H new ATOM 0 HA ARG A 15 -13.226 5.573 1.082 1.00 20.32 H new ATOM 0 HB2 ARG A 15 -14.330 3.439 1.045 1.00 4.53 H new ATOM 0 HB3 ARG A 15 -13.469 2.886 2.468 1.00 4.53 H new ATOM 0 HG2 ARG A 15 -14.702 4.185 3.912 1.00 31.32 H new ATOM 0 HG3 ARG A 15 -14.948 5.459 2.735 1.00 31.32 H new ATOM 0 HD2 ARG A 15 -17.097 4.595 3.056 1.00 15.14 H new ATOM 0 HD3 ARG A 15 -16.583 3.847 1.557 1.00 15.14 H new ATOM 0 HE ARG A 15 -16.586 1.749 2.571 1.00 51.53 H new ATOM 0 HH11 ARG A 15 -17.054 4.235 5.067 1.00 4.32 H new ATOM 0 HH12 ARG A 15 -17.429 3.042 6.314 1.00 4.32 H new ATOM 0 HH21 ARG A 15 -16.958 0.261 4.226 1.00 62.33 H new ATOM 0 HH22 ARG A 15 -17.375 0.829 5.846 1.00 62.33 H new ATOM 228 N ARG A 16 -11.474 4.989 3.801 1.00 42.13 N ATOM 229 CA ARG A 16 -10.898 5.622 4.990 1.00 52.03 C ATOM 230 C ARG A 16 -10.043 6.837 4.634 1.00 32.33 C ATOM 231 O ARG A 16 -10.128 7.855 5.330 1.00 1.01 O ATOM 232 CB ARG A 16 -10.070 4.575 5.749 1.00 34.21 C ATOM 233 CG ARG A 16 -10.990 3.539 6.399 1.00 71.44 C ATOM 234 CD ARG A 16 -10.283 2.197 6.628 1.00 22.14 C ATOM 235 NE ARG A 16 -11.156 1.320 7.415 1.00 54.12 N ATOM 236 CZ ARG A 16 -11.423 1.494 8.711 1.00 54.22 C ATOM 237 NH1 ARG A 16 -10.706 2.342 9.443 1.00 35.50 N ATOM 238 NH2 ARG A 16 -12.414 0.812 9.263 1.00 55.12 N ATOM 0 H ARG A 16 -11.194 4.014 3.693 1.00 42.13 H new ATOM 0 HA ARG A 16 -11.708 5.988 5.621 1.00 52.03 H new ATOM 0 HB2 ARG A 16 -9.381 4.081 5.064 1.00 34.21 H new ATOM 0 HB3 ARG A 16 -9.465 5.064 6.513 1.00 34.21 H new ATOM 0 HG2 ARG A 16 -11.351 3.924 7.352 1.00 71.44 H new ATOM 0 HG3 ARG A 16 -11.864 3.384 5.766 1.00 71.44 H new ATOM 0 HD2 ARG A 16 -10.045 1.730 5.672 1.00 22.14 H new ATOM 0 HD3 ARG A 16 -9.339 2.354 7.150 1.00 22.14 H new ATOM 0 HE ARG A 16 -11.587 0.526 6.941 1.00 54.12 H new ATOM 0 HH11 ARG A 16 -9.944 2.867 9.015 1.00 35.50 H new ATOM 0 HH12 ARG A 16 -10.919 2.467 10.433 1.00 35.50 H new ATOM 0 HH21 ARG A 16 -12.963 0.163 8.699 1.00 55.12 H new ATOM 0 HH22 ARG A 16 -12.629 0.935 10.252 1.00 55.12 H new ATOM 249 N ALA A 17 -9.214 6.717 3.597 1.00 4.34 N ATOM 250 CA ALA A 17 -8.338 7.777 3.130 1.00 13.43 C ATOM 251 C ALA A 17 -9.156 8.931 2.553 1.00 64.23 C ATOM 252 O ALA A 17 -8.993 10.075 2.970 1.00 15.30 O ATOM 253 CB ALA A 17 -7.392 7.209 2.073 1.00 22.13 C ATOM 0 H ALA A 17 -9.136 5.859 3.050 1.00 4.34 H new ATOM 0 HA ALA A 17 -7.757 8.164 3.967 1.00 13.43 H new ATOM 0 HB1 ALA A 17 -6.730 7.998 1.716 1.00 22.13 H new ATOM 0 HB2 ALA A 17 -6.798 6.406 2.510 1.00 22.13 H new ATOM 0 HB3 ALA A 17 -7.973 6.817 1.238 1.00 22.13 H new ATOM 259 N GLU A 18 -10.042 8.628 1.606 1.00 74.12 N ATOM 260 CA GLU A 18 -10.883 9.607 0.934 1.00 0.40 C ATOM 261 C GLU A 18 -11.756 10.359 1.951 1.00 72.23 C ATOM 262 O GLU A 18 -11.923 11.574 1.857 1.00 74.45 O ATOM 263 CB GLU A 18 -11.754 8.900 -0.108 1.00 44.13 C ATOM 264 CG GLU A 18 -11.062 8.590 -1.448 1.00 33.34 C ATOM 265 CD GLU A 18 -12.082 8.144 -2.513 1.00 44.42 C ATOM 266 OE1 GLU A 18 -13.123 8.813 -2.709 1.00 63.24 O ATOM 267 OE2 GLU A 18 -11.845 7.126 -3.202 1.00 52.25 O ATOM 0 H GLU A 18 -10.196 7.674 1.280 1.00 74.12 H new ATOM 0 HA GLU A 18 -10.250 10.338 0.432 1.00 0.40 H new ATOM 0 HB2 GLU A 18 -12.115 7.965 0.320 1.00 44.13 H new ATOM 0 HB3 GLU A 18 -12.629 9.519 -0.305 1.00 44.13 H new ATOM 0 HG2 GLU A 18 -10.530 9.474 -1.798 1.00 33.34 H new ATOM 0 HG3 GLU A 18 -10.318 7.807 -1.303 1.00 33.34 H new ATOM 272 N LEU A 19 -12.259 9.675 2.983 1.00 54.35 N ATOM 273 CA LEU A 19 -12.977 10.274 4.113 1.00 1.10 C ATOM 274 C LEU A 19 -12.144 11.310 4.859 1.00 61.51 C ATOM 275 O LEU A 19 -12.670 12.267 5.426 1.00 75.15 O ATOM 276 CB LEU A 19 -13.346 9.158 5.099 1.00 71.25 C ATOM 277 CG LEU A 19 -14.815 8.759 5.068 1.00 14.33 C ATOM 278 CD1 LEU A 19 -15.445 8.545 3.684 1.00 11.13 C ATOM 279 CD2 LEU A 19 -14.973 7.484 5.903 1.00 31.11 C ATOM 0 H LEU A 19 -12.176 8.661 3.058 1.00 54.35 H new ATOM 0 HA LEU A 19 -13.857 10.778 3.713 1.00 1.10 H new ATOM 0 HB2 LEU A 19 -12.738 8.280 4.881 1.00 71.25 H new ATOM 0 HB3 LEU A 19 -13.090 9.481 6.108 1.00 71.25 H new ATOM 0 HG LEU A 19 -15.358 9.613 5.472 1.00 14.33 H new ATOM 0 HD11 LEU A 19 -16.492 8.265 3.800 1.00 11.13 H new ATOM 0 HD12 LEU A 19 -15.378 9.467 3.107 1.00 11.13 H new ATOM 0 HD13 LEU A 19 -14.913 7.750 3.161 1.00 11.13 H new ATOM 0 HD21 LEU A 19 -16.018 7.174 5.899 1.00 31.11 H new ATOM 0 HD22 LEU A 19 -14.357 6.692 5.477 1.00 31.11 H new ATOM 0 HD23 LEU A 19 -14.656 7.679 6.928 1.00 31.11 H new ATOM 290 N GLY A 20 -10.842 11.081 4.918 1.00 3.03 N ATOM 291 CA GLY A 20 -9.828 11.993 5.443 1.00 3.34 C ATOM 292 C GLY A 20 -9.578 13.199 4.530 1.00 71.11 C ATOM 293 O GLY A 20 -8.776 14.071 4.867 1.00 55.33 O ATOM 0 H GLY A 20 -10.438 10.206 4.583 1.00 3.03 H new ATOM 0 HA2 GLY A 20 -10.139 12.347 6.426 1.00 3.34 H new ATOM 0 HA3 GLY A 20 -8.894 11.449 5.581 1.00 3.34 H new ATOM 297 N GLY A 21 -10.237 13.264 3.372 1.00 23.23 N ATOM 298 CA GLY A 21 -10.006 14.250 2.331 1.00 35.20 C ATOM 299 C GLY A 21 -8.734 13.969 1.533 1.00 23.52 C ATOM 300 O GLY A 21 -8.407 14.761 0.648 1.00 41.44 O ATOM 0 H GLY A 21 -10.974 12.602 3.130 1.00 23.23 H new ATOM 0 HA2 GLY A 21 -10.860 14.266 1.654 1.00 35.20 H new ATOM 0 HA3 GLY A 21 -9.938 15.240 2.781 1.00 35.20 H new ATOM 304 N ALA A 22 -8.026 12.864 1.808 1.00 41.25 N ATOM 305 CA ALA A 22 -6.834 12.486 1.061 1.00 15.20 C ATOM 306 C ALA A 22 -7.251 12.060 -0.347 1.00 51.45 C ATOM 307 O ALA A 22 -8.416 11.710 -0.576 1.00 51.34 O ATOM 308 CB ALA A 22 -6.098 11.354 1.788 1.00 14.20 C ATOM 0 H ALA A 22 -8.269 12.213 2.555 1.00 41.25 H new ATOM 0 HA ALA A 22 -6.151 13.332 0.987 1.00 15.20 H new ATOM 0 HB1 ALA A 22 -5.208 11.077 1.223 1.00 14.20 H new ATOM 0 HB2 ALA A 22 -5.806 11.690 2.783 1.00 14.20 H new ATOM 0 HB3 ALA A 22 -6.756 10.489 1.875 1.00 14.20 H new ATOM 314 N PHE A 23 -6.307 12.068 -1.284 1.00 42.25 N ATOM 315 CA PHE A 23 -6.524 11.564 -2.631 1.00 20.51 C ATOM 316 C PHE A 23 -6.025 10.129 -2.621 1.00 62.53 C ATOM 317 O PHE A 23 -4.852 9.902 -2.315 1.00 73.35 O ATOM 318 CB PHE A 23 -5.778 12.437 -3.651 1.00 60.45 C ATOM 319 CG PHE A 23 -6.394 12.477 -5.029 1.00 52.52 C ATOM 320 CD1 PHE A 23 -7.611 13.149 -5.227 1.00 3.14 C ATOM 321 CD2 PHE A 23 -5.735 11.894 -6.124 1.00 61.44 C ATOM 322 CE1 PHE A 23 -8.170 13.235 -6.513 1.00 43.21 C ATOM 323 CE2 PHE A 23 -6.289 11.984 -7.411 1.00 0.34 C ATOM 324 CZ PHE A 23 -7.503 12.657 -7.607 1.00 73.01 C ATOM 0 H PHE A 23 -5.365 12.427 -1.126 1.00 42.25 H new ATOM 0 HA PHE A 23 -7.573 11.596 -2.924 1.00 20.51 H new ATOM 0 HB2 PHE A 23 -5.723 13.455 -3.264 1.00 60.45 H new ATOM 0 HB3 PHE A 23 -4.754 12.073 -3.738 1.00 60.45 H new ATOM 0 HD1 PHE A 23 -8.119 13.601 -4.388 1.00 3.14 H new ATOM 0 HD2 PHE A 23 -4.800 11.375 -5.976 1.00 61.44 H new ATOM 0 HE1 PHE A 23 -9.111 13.744 -6.661 1.00 43.21 H new ATOM 0 HE2 PHE A 23 -5.780 11.534 -8.250 1.00 0.34 H new ATOM 0 HZ PHE A 23 -7.926 12.731 -8.598 1.00 73.01 H new ATOM 333 N ALA A 24 -6.883 9.147 -2.876 1.00 42.33 N ATOM 334 CA ALA A 24 -6.481 7.748 -2.814 1.00 14.42 C ATOM 335 C ALA A 24 -7.135 6.984 -3.951 1.00 33.40 C ATOM 336 O ALA A 24 -8.261 7.302 -4.333 1.00 63.02 O ATOM 337 CB ALA A 24 -6.855 7.170 -1.447 1.00 62.01 C ATOM 0 H ALA A 24 -7.860 9.295 -3.127 1.00 42.33 H new ATOM 0 HA ALA A 24 -5.401 7.658 -2.929 1.00 14.42 H new ATOM 0 HB1 ALA A 24 -6.555 6.123 -1.400 1.00 62.01 H new ATOM 0 HB2 ALA A 24 -6.344 7.730 -0.663 1.00 62.01 H new ATOM 0 HB3 ALA A 24 -7.933 7.245 -1.303 1.00 62.01 H new ATOM 343 N THR A 25 -6.466 5.950 -4.455 1.00 73.31 N ATOM 344 CA THR A 25 -7.037 5.090 -5.482 1.00 33.42 C ATOM 345 C THR A 25 -6.341 3.732 -5.499 1.00 12.50 C ATOM 346 O THR A 25 -5.275 3.534 -4.906 1.00 73.22 O ATOM 347 CB THR A 25 -7.034 5.798 -6.850 1.00 23.31 C ATOM 348 OG1 THR A 25 -7.878 5.095 -7.740 1.00 22.04 O ATOM 349 CG2 THR A 25 -5.629 5.898 -7.441 1.00 52.24 C ATOM 0 H THR A 25 -5.524 5.689 -4.166 1.00 73.31 H new ATOM 0 HA THR A 25 -8.082 4.893 -5.244 1.00 33.42 H new ATOM 0 HB THR A 25 -7.400 6.814 -6.704 1.00 23.31 H new ATOM 0 HG1 THR A 25 -7.880 5.543 -8.611 1.00 22.04 H new ATOM 0 HG21 THR A 25 -5.675 6.404 -8.405 1.00 52.24 H new ATOM 0 HG22 THR A 25 -4.989 6.464 -6.764 1.00 52.24 H new ATOM 0 HG23 THR A 25 -5.219 4.897 -7.576 1.00 52.24 H new ATOM 357 N VAL A 26 -6.967 2.780 -6.185 1.00 2.10 N ATOM 358 CA VAL A 26 -6.355 1.514 -6.524 1.00 41.51 C ATOM 359 C VAL A 26 -5.759 1.709 -7.916 1.00 24.23 C ATOM 360 O VAL A 26 -6.482 1.833 -8.902 1.00 13.33 O ATOM 361 CB VAL A 26 -7.367 0.357 -6.486 1.00 61.14 C ATOM 362 CG1 VAL A 26 -6.598 -0.936 -6.217 1.00 24.03 C ATOM 363 CG2 VAL A 26 -8.457 0.497 -5.417 1.00 60.22 C ATOM 0 H VAL A 26 -7.925 2.874 -6.522 1.00 2.10 H new ATOM 0 HA VAL A 26 -5.589 1.236 -5.800 1.00 41.51 H new ATOM 0 HB VAL A 26 -7.878 0.360 -7.449 1.00 61.14 H new ATOM 0 HG11 VAL A 26 -7.295 -1.774 -6.185 1.00 24.03 H new ATOM 0 HG12 VAL A 26 -5.871 -1.099 -7.012 1.00 24.03 H new ATOM 0 HG13 VAL A 26 -6.079 -0.859 -5.261 1.00 24.03 H new ATOM 0 HG21 VAL A 26 -9.125 -0.363 -5.464 1.00 60.22 H new ATOM 0 HG22 VAL A 26 -7.995 0.545 -4.431 1.00 60.22 H new ATOM 0 HG23 VAL A 26 -9.027 1.409 -5.596 1.00 60.22 H new ATOM 373 N ALA A 27 -4.434 1.766 -7.992 1.00 40.14 N ATOM 374 CA ALA A 27 -3.674 1.887 -9.222 1.00 40.41 C ATOM 375 C ALA A 27 -3.341 0.510 -9.823 1.00 53.21 C ATOM 376 O ALA A 27 -2.430 0.410 -10.644 1.00 20.30 O ATOM 377 CB ALA A 27 -2.412 2.704 -8.926 1.00 71.21 C ATOM 0 H ALA A 27 -3.840 1.727 -7.163 1.00 40.14 H new ATOM 0 HA ALA A 27 -4.271 2.402 -9.975 1.00 40.41 H new ATOM 0 HB1 ALA A 27 -1.824 2.808 -9.838 1.00 71.21 H new ATOM 0 HB2 ALA A 27 -2.695 3.692 -8.562 1.00 71.21 H new ATOM 0 HB3 ALA A 27 -1.818 2.194 -8.167 1.00 71.21 H new ATOM 383 N ARG A 28 -4.000 -0.575 -9.394 1.00 55.21 N ATOM 384 CA ARG A 28 -3.932 -1.892 -10.042 1.00 63.33 C ATOM 385 C ARG A 28 -5.231 -2.634 -9.748 1.00 75.45 C ATOM 386 O ARG A 28 -6.050 -2.133 -8.981 1.00 20.21 O ATOM 387 CB ARG A 28 -2.709 -2.702 -9.572 1.00 54.34 C ATOM 388 CG ARG A 28 -1.912 -3.353 -10.714 1.00 43.24 C ATOM 389 CD ARG A 28 -1.122 -2.308 -11.517 1.00 73.23 C ATOM 390 NE ARG A 28 -0.370 -2.919 -12.620 1.00 1.24 N ATOM 391 CZ ARG A 28 0.706 -2.417 -13.237 1.00 40.21 C ATOM 392 NH1 ARG A 28 1.253 -1.265 -12.864 1.00 55.40 N ATOM 393 NH2 ARG A 28 1.251 -3.090 -14.242 1.00 33.33 N ATOM 0 H ARG A 28 -4.605 -0.562 -8.573 1.00 55.21 H new ATOM 0 HA ARG A 28 -3.813 -1.759 -11.117 1.00 63.33 H new ATOM 0 HB2 ARG A 28 -2.046 -2.045 -9.009 1.00 54.34 H new ATOM 0 HB3 ARG A 28 -3.044 -3.481 -8.887 1.00 54.34 H new ATOM 0 HG2 ARG A 28 -1.225 -4.093 -10.304 1.00 43.24 H new ATOM 0 HG3 ARG A 28 -2.594 -3.884 -11.378 1.00 43.24 H new ATOM 0 HD2 ARG A 28 -1.809 -1.561 -11.916 1.00 73.23 H new ATOM 0 HD3 ARG A 28 -0.433 -1.785 -10.854 1.00 73.23 H new ATOM 0 HE ARG A 28 -0.704 -3.824 -12.952 1.00 1.24 H new ATOM 0 HH11 ARG A 28 0.853 -0.738 -12.088 1.00 55.40 H new ATOM 0 HH12 ARG A 28 2.073 -0.908 -13.354 1.00 55.40 H new ATOM 0 HH21 ARG A 28 0.850 -3.980 -14.537 1.00 33.33 H new ATOM 0 HH22 ARG A 28 2.071 -2.717 -14.720 1.00 33.33 H new ATOM 404 N LYS A 29 -5.404 -3.845 -10.272 1.00 0.21 N ATOM 405 CA LYS A 29 -6.504 -4.716 -9.889 1.00 55.25 C ATOM 406 C LYS A 29 -5.976 -6.138 -9.897 1.00 53.21 C ATOM 407 O LYS A 29 -5.818 -6.726 -10.966 1.00 74.34 O ATOM 408 CB LYS A 29 -7.665 -4.473 -10.855 1.00 42.33 C ATOM 409 CG LYS A 29 -8.850 -5.426 -10.640 1.00 31.03 C ATOM 410 CD LYS A 29 -10.044 -4.946 -11.471 1.00 3.50 C ATOM 411 CE LYS A 29 -10.854 -3.870 -10.736 1.00 40.21 C ATOM 412 NZ LYS A 29 -11.863 -4.455 -9.830 1.00 42.35 N ATOM 0 H LYS A 29 -4.783 -4.247 -10.974 1.00 0.21 H new ATOM 0 HA LYS A 29 -6.888 -4.516 -8.889 1.00 55.25 H new ATOM 0 HB2 LYS A 29 -8.011 -3.445 -10.744 1.00 42.33 H new ATOM 0 HB3 LYS A 29 -7.304 -4.579 -11.878 1.00 42.33 H new ATOM 0 HG2 LYS A 29 -8.574 -6.439 -10.931 1.00 31.03 H new ATOM 0 HG3 LYS A 29 -9.117 -5.459 -9.584 1.00 31.03 H new ATOM 0 HD2 LYS A 29 -9.689 -4.548 -12.421 1.00 3.50 H new ATOM 0 HD3 LYS A 29 -10.690 -5.793 -11.702 1.00 3.50 H new ATOM 0 HE2 LYS A 29 -10.177 -3.236 -10.163 1.00 40.21 H new ATOM 0 HE3 LYS A 29 -11.350 -3.229 -11.465 1.00 40.21 H new ATOM 0 HZ1 LYS A 29 -12.386 -3.692 -9.355 1.00 42.35 H new ATOM 0 HZ2 LYS A 29 -12.525 -5.040 -10.379 1.00 42.35 H new ATOM 0 HZ3 LYS A 29 -11.389 -5.046 -9.117 1.00 42.35 H new ATOM 422 N GLY A 30 -5.622 -6.634 -8.719 1.00 0.32 N ATOM 423 CA GLY A 30 -4.975 -7.916 -8.549 1.00 71.14 C ATOM 424 C GLY A 30 -5.993 -9.030 -8.337 1.00 51.34 C ATOM 425 O GLY A 30 -7.160 -8.895 -8.717 1.00 40.23 O ATOM 0 H GLY A 30 -5.783 -6.142 -7.840 1.00 0.32 H new ATOM 0 HA2 GLY A 30 -4.368 -8.138 -9.427 1.00 71.14 H new ATOM 0 HA3 GLY A 30 -4.298 -7.873 -7.696 1.00 71.14 H new ATOM 429 N ASP A 31 -5.562 -10.142 -7.738 1.00 64.33 N ATOM 430 CA ASP A 31 -6.469 -11.235 -7.384 1.00 43.53 C ATOM 431 C ASP A 31 -7.332 -10.803 -6.208 1.00 73.41 C ATOM 432 O ASP A 31 -6.800 -10.408 -5.170 1.00 34.21 O ATOM 433 CB ASP A 31 -5.730 -12.530 -6.988 1.00 4.43 C ATOM 434 CG ASP A 31 -5.922 -13.687 -7.963 1.00 73.25 C ATOM 435 OD1 ASP A 31 -6.755 -13.591 -8.890 1.00 2.20 O ATOM 436 OD2 ASP A 31 -5.305 -14.747 -7.708 1.00 74.42 O ATOM 0 H ASP A 31 -4.587 -10.309 -7.487 1.00 64.33 H new ATOM 0 HA ASP A 31 -7.067 -11.450 -8.270 1.00 43.53 H new ATOM 0 HB2 ASP A 31 -4.665 -12.315 -6.903 1.00 4.43 H new ATOM 0 HB3 ASP A 31 -6.072 -12.842 -6.001 1.00 4.43 H new ATOM 440 N ALA A 32 -8.653 -10.892 -6.331 1.00 11.13 N ATOM 441 CA ALA A 32 -9.559 -10.429 -5.287 1.00 53.15 C ATOM 442 C ALA A 32 -9.494 -11.251 -3.997 1.00 60.23 C ATOM 443 O ALA A 32 -9.798 -10.694 -2.941 1.00 55.33 O ATOM 444 CB ALA A 32 -10.981 -10.371 -5.836 1.00 15.54 C ATOM 0 H ALA A 32 -9.121 -11.283 -7.149 1.00 11.13 H new ATOM 0 HA ALA A 32 -9.231 -9.430 -5.001 1.00 53.15 H new ATOM 0 HB1 ALA A 32 -11.659 -10.025 -5.055 1.00 15.54 H new ATOM 0 HB2 ALA A 32 -11.017 -9.682 -6.680 1.00 15.54 H new ATOM 0 HB3 ALA A 32 -11.285 -11.365 -6.166 1.00 15.54 H new ATOM 450 N ARG A 33 -9.120 -12.538 -4.043 1.00 52.51 N ATOM 451 CA ARG A 33 -9.011 -13.376 -2.840 1.00 74.45 C ATOM 452 C ARG A 33 -7.571 -13.493 -2.339 1.00 4.51 C ATOM 453 O ARG A 33 -7.379 -13.701 -1.143 1.00 51.23 O ATOM 454 CB ARG A 33 -9.558 -14.794 -3.093 1.00 35.34 C ATOM 455 CG ARG A 33 -11.011 -14.828 -3.597 1.00 13.11 C ATOM 456 CD ARG A 33 -11.572 -16.257 -3.702 1.00 0.14 C ATOM 457 NE ARG A 33 -12.157 -16.727 -2.432 1.00 2.34 N ATOM 458 CZ ARG A 33 -13.417 -16.515 -2.022 1.00 72.24 C ATOM 459 NH1 ARG A 33 -14.331 -15.978 -2.827 1.00 72.13 N ATOM 460 NH2 ARG A 33 -13.779 -16.849 -0.788 1.00 74.21 N ATOM 0 H ARG A 33 -8.886 -13.024 -4.908 1.00 52.51 H new ATOM 0 HA ARG A 33 -9.609 -12.878 -2.076 1.00 74.45 H new ATOM 0 HB2 ARG A 33 -8.920 -15.293 -3.823 1.00 35.34 H new ATOM 0 HB3 ARG A 33 -9.492 -15.367 -2.168 1.00 35.34 H new ATOM 0 HG2 ARG A 33 -11.638 -14.245 -2.923 1.00 13.11 H new ATOM 0 HG3 ARG A 33 -11.063 -14.349 -4.575 1.00 13.11 H new ATOM 0 HD2 ARG A 33 -12.332 -16.289 -4.483 1.00 0.14 H new ATOM 0 HD3 ARG A 33 -10.775 -16.936 -4.005 1.00 0.14 H new ATOM 0 HE ARG A 33 -11.550 -17.261 -1.810 1.00 2.34 H new ATOM 0 HH11 ARG A 33 -14.080 -15.717 -3.781 1.00 72.13 H new ATOM 0 HH12 ARG A 33 -15.282 -15.828 -2.490 1.00 72.13 H new ATOM 0 HH21 ARG A 33 -13.099 -17.266 -0.152 1.00 74.21 H new ATOM 0 HH22 ARG A 33 -14.737 -16.688 -0.476 1.00 74.21 H new ATOM 471 N ALA A 34 -6.577 -13.443 -3.228 1.00 1.52 N ATOM 472 CA ALA A 34 -5.216 -13.895 -2.936 1.00 34.42 C ATOM 473 C ALA A 34 -4.135 -12.976 -3.519 1.00 64.15 C ATOM 474 O ALA A 34 -2.958 -13.340 -3.540 1.00 24.43 O ATOM 475 CB ALA A 34 -5.067 -15.346 -3.418 1.00 35.03 C ATOM 0 H ALA A 34 -6.695 -13.086 -4.176 1.00 1.52 H new ATOM 0 HA ALA A 34 -5.061 -13.851 -1.858 1.00 34.42 H new ATOM 0 HB1 ALA A 34 -4.057 -15.698 -3.207 1.00 35.03 H new ATOM 0 HB2 ALA A 34 -5.787 -15.978 -2.898 1.00 35.03 H new ATOM 0 HB3 ALA A 34 -5.251 -15.394 -4.491 1.00 35.03 H new ATOM 481 N GLY A 35 -4.507 -11.788 -3.994 1.00 13.50 N ATOM 482 CA GLY A 35 -3.530 -10.820 -4.461 1.00 53.15 C ATOM 483 C GLY A 35 -2.657 -10.374 -3.290 1.00 53.51 C ATOM 484 O GLY A 35 -3.171 -10.139 -2.192 1.00 14.13 O ATOM 0 H GLY A 35 -5.476 -11.478 -4.063 1.00 13.50 H new ATOM 0 HA2 GLY A 35 -2.911 -11.260 -5.243 1.00 53.15 H new ATOM 0 HA3 GLY A 35 -4.035 -9.960 -4.900 1.00 53.15 H new ATOM 488 N ALA A 36 -1.352 -10.226 -3.515 1.00 3.12 N ATOM 489 CA ALA A 36 -0.512 -9.435 -2.626 1.00 40.11 C ATOM 490 C ALA A 36 -0.861 -7.954 -2.809 1.00 31.42 C ATOM 491 O ALA A 36 -1.423 -7.564 -3.839 1.00 72.03 O ATOM 492 CB ALA A 36 0.965 -9.703 -2.933 1.00 12.43 C ATOM 0 H ALA A 36 -0.858 -10.643 -4.304 1.00 3.12 H new ATOM 0 HA ALA A 36 -0.690 -9.712 -1.587 1.00 40.11 H new ATOM 0 HB1 ALA A 36 1.589 -9.109 -2.265 1.00 12.43 H new ATOM 0 HB2 ALA A 36 1.181 -10.761 -2.786 1.00 12.43 H new ATOM 0 HB3 ALA A 36 1.177 -9.430 -3.967 1.00 12.43 H new ATOM 498 N VAL A 37 -0.491 -7.109 -1.847 1.00 44.52 N ATOM 499 CA VAL A 37 -0.858 -5.698 -1.848 1.00 60.03 C ATOM 500 C VAL A 37 0.387 -4.856 -1.577 1.00 53.23 C ATOM 501 O VAL A 37 1.166 -5.142 -0.665 1.00 71.45 O ATOM 502 CB VAL A 37 -1.985 -5.440 -0.820 1.00 2.00 C ATOM 503 CG1 VAL A 37 -2.541 -4.010 -0.931 1.00 43.03 C ATOM 504 CG2 VAL A 37 -3.170 -6.406 -0.967 1.00 54.35 C ATOM 0 H VAL A 37 0.073 -7.387 -1.044 1.00 44.52 H new ATOM 0 HA VAL A 37 -1.250 -5.409 -2.823 1.00 60.03 H new ATOM 0 HB VAL A 37 -1.513 -5.596 0.150 1.00 2.00 H new ATOM 0 HG11 VAL A 37 -3.330 -3.868 -0.193 1.00 43.03 H new ATOM 0 HG12 VAL A 37 -1.740 -3.293 -0.749 1.00 43.03 H new ATOM 0 HG13 VAL A 37 -2.947 -3.854 -1.931 1.00 43.03 H new ATOM 0 HG21 VAL A 37 -3.926 -6.172 -0.217 1.00 54.35 H new ATOM 0 HG22 VAL A 37 -3.602 -6.303 -1.962 1.00 54.35 H new ATOM 0 HG23 VAL A 37 -2.824 -7.430 -0.826 1.00 54.35 H new ATOM 514 N LEU A 38 0.556 -3.795 -2.366 1.00 64.35 N ATOM 515 CA LEU A 38 1.393 -2.645 -2.108 1.00 74.12 C ATOM 516 C LEU A 38 0.500 -1.515 -1.635 1.00 11.24 C ATOM 517 O LEU A 38 -0.606 -1.334 -2.147 1.00 12.12 O ATOM 518 CB LEU A 38 2.075 -2.224 -3.420 1.00 32.40 C ATOM 519 CG LEU A 38 3.416 -2.918 -3.680 1.00 52.34 C ATOM 520 CD1 LEU A 38 3.494 -4.361 -3.205 1.00 44.43 C ATOM 521 CD2 LEU A 38 3.811 -2.753 -5.146 1.00 54.21 C ATOM 0 H LEU A 38 0.074 -3.721 -3.262 1.00 64.35 H new ATOM 0 HA LEU A 38 2.148 -2.878 -1.358 1.00 74.12 H new ATOM 0 HB2 LEU A 38 1.402 -2.436 -4.251 1.00 32.40 H new ATOM 0 HB3 LEU A 38 2.233 -1.146 -3.405 1.00 32.40 H new ATOM 0 HG LEU A 38 4.153 -2.412 -3.057 1.00 52.34 H new ATOM 0 HD11 LEU A 38 4.480 -4.766 -3.433 1.00 44.43 H new ATOM 0 HD12 LEU A 38 3.326 -4.399 -2.129 1.00 44.43 H new ATOM 0 HD13 LEU A 38 2.732 -4.953 -3.713 1.00 44.43 H new ATOM 0 HD21 LEU A 38 4.765 -3.249 -5.324 1.00 54.21 H new ATOM 0 HD22 LEU A 38 3.046 -3.200 -5.781 1.00 54.21 H new ATOM 0 HD23 LEU A 38 3.904 -1.693 -5.381 1.00 54.21 H new ATOM 532 N VAL A 39 1.020 -0.710 -0.719 1.00 64.55 N ATOM 533 CA VAL A 39 0.438 0.563 -0.325 1.00 15.40 C ATOM 534 C VAL A 39 1.568 1.576 -0.437 1.00 42.12 C ATOM 535 O VAL A 39 2.431 1.669 0.436 1.00 4.31 O ATOM 536 CB VAL A 39 -0.209 0.497 1.076 1.00 2.11 C ATOM 537 CG1 VAL A 39 -0.817 1.861 1.449 1.00 75.31 C ATOM 538 CG2 VAL A 39 -1.307 -0.579 1.158 1.00 31.30 C ATOM 0 H VAL A 39 1.880 -0.931 -0.217 1.00 64.55 H new ATOM 0 HA VAL A 39 -0.392 0.852 -0.970 1.00 15.40 H new ATOM 0 HB VAL A 39 0.582 0.233 1.778 1.00 2.11 H new ATOM 0 HG11 VAL A 39 -1.269 1.799 2.439 1.00 75.31 H new ATOM 0 HG12 VAL A 39 -0.034 2.619 1.455 1.00 75.31 H new ATOM 0 HG13 VAL A 39 -1.579 2.132 0.718 1.00 75.31 H new ATOM 0 HG21 VAL A 39 -1.733 -0.588 2.161 1.00 31.30 H new ATOM 0 HG22 VAL A 39 -2.090 -0.356 0.433 1.00 31.30 H new ATOM 0 HG23 VAL A 39 -0.876 -1.556 0.937 1.00 31.30 H new ATOM 548 N LYS A 40 1.631 2.287 -1.554 1.00 60.51 N ATOM 549 CA LYS A 40 2.486 3.458 -1.661 1.00 21.41 C ATOM 550 C LYS A 40 1.739 4.597 -0.950 1.00 33.32 C ATOM 551 O LYS A 40 0.512 4.675 -1.058 1.00 62.22 O ATOM 552 CB LYS A 40 2.747 3.685 -3.152 1.00 64.51 C ATOM 553 CG LYS A 40 3.566 4.945 -3.438 1.00 41.05 C ATOM 554 CD LYS A 40 3.813 5.092 -4.943 1.00 35.42 C ATOM 555 CE LYS A 40 4.242 6.532 -5.217 1.00 13.23 C ATOM 556 NZ LYS A 40 4.548 6.782 -6.649 1.00 41.43 N ATOM 0 H LYS A 40 1.100 2.073 -2.398 1.00 60.51 H new ATOM 0 HA LYS A 40 3.464 3.367 -1.187 1.00 21.41 H new ATOM 0 HB2 LYS A 40 3.271 2.820 -3.558 1.00 64.51 H new ATOM 0 HB3 LYS A 40 1.793 3.754 -3.674 1.00 64.51 H new ATOM 0 HG2 LYS A 40 3.039 5.822 -3.062 1.00 41.05 H new ATOM 0 HG3 LYS A 40 4.518 4.895 -2.910 1.00 41.05 H new ATOM 0 HD2 LYS A 40 4.585 4.396 -5.271 1.00 35.42 H new ATOM 0 HD3 LYS A 40 2.909 4.852 -5.502 1.00 35.42 H new ATOM 0 HE2 LYS A 40 3.450 7.209 -4.896 1.00 13.23 H new ATOM 0 HE3 LYS A 40 5.122 6.764 -4.617 1.00 13.23 H new ATOM 0 HZ1 LYS A 40 5.384 7.396 -6.723 1.00 41.43 H new ATOM 0 HZ2 LYS A 40 4.739 5.878 -7.126 1.00 41.43 H new ATOM 0 HZ3 LYS A 40 3.736 7.248 -7.101 1.00 41.43 H new ATOM 566 N ALA A 41 2.437 5.438 -0.185 1.00 15.32 N ATOM 567 CA ALA A 41 1.825 6.537 0.559 1.00 15.02 C ATOM 568 C ALA A 41 2.768 7.741 0.517 1.00 33.21 C ATOM 569 O ALA A 41 3.981 7.565 0.642 1.00 12.33 O ATOM 570 CB ALA A 41 1.514 6.104 1.999 1.00 32.50 C ATOM 0 H ALA A 41 3.448 5.374 -0.064 1.00 15.32 H new ATOM 0 HA ALA A 41 0.876 6.818 0.102 1.00 15.02 H new ATOM 0 HB1 ALA A 41 1.059 6.935 2.538 1.00 32.50 H new ATOM 0 HB2 ALA A 41 0.825 5.260 1.984 1.00 32.50 H new ATOM 0 HB3 ALA A 41 2.437 5.810 2.498 1.00 32.50 H new ATOM 576 N VAL A 42 2.235 8.945 0.297 1.00 23.42 N ATOM 577 CA VAL A 42 3.022 10.084 -0.162 1.00 22.42 C ATOM 578 C VAL A 42 2.545 11.357 0.552 1.00 33.22 C ATOM 579 O VAL A 42 1.371 11.733 0.449 1.00 31.10 O ATOM 580 CB VAL A 42 2.881 10.188 -1.698 1.00 51.05 C ATOM 581 CG1 VAL A 42 3.892 11.173 -2.305 1.00 11.00 C ATOM 582 CG2 VAL A 42 3.086 8.857 -2.443 1.00 41.22 C ATOM 0 H VAL A 42 1.246 9.154 0.433 1.00 23.42 H new ATOM 0 HA VAL A 42 4.077 9.955 0.078 1.00 22.42 H new ATOM 0 HB VAL A 42 1.854 10.527 -1.831 1.00 51.05 H new ATOM 0 HG11 VAL A 42 3.756 11.214 -3.386 1.00 11.00 H new ATOM 0 HG12 VAL A 42 3.733 12.165 -1.882 1.00 11.00 H new ATOM 0 HG13 VAL A 42 4.905 10.840 -2.079 1.00 11.00 H new ATOM 0 HG21 VAL A 42 2.970 9.018 -3.515 1.00 41.22 H new ATOM 0 HG22 VAL A 42 4.087 8.477 -2.240 1.00 41.22 H new ATOM 0 HG23 VAL A 42 2.346 8.132 -2.103 1.00 41.22 H new ATOM 592 N ASP A 43 3.458 12.035 1.242 1.00 54.14 N ATOM 593 CA ASP A 43 3.235 13.230 2.059 1.00 14.01 C ATOM 594 C ASP A 43 3.060 14.481 1.181 1.00 34.10 C ATOM 595 O ASP A 43 4.040 15.103 0.760 1.00 24.13 O ATOM 596 CB ASP A 43 4.416 13.501 3.006 1.00 3.12 C ATOM 597 CG ASP A 43 4.729 12.450 4.067 1.00 12.11 C ATOM 598 OD1 ASP A 43 4.604 11.231 3.828 1.00 75.23 O ATOM 599 OD2 ASP A 43 5.231 12.862 5.140 1.00 63.35 O ATOM 0 H ASP A 43 4.437 11.748 1.247 1.00 54.14 H new ATOM 0 HA ASP A 43 2.330 13.035 2.634 1.00 14.01 H new ATOM 0 HB2 ASP A 43 5.309 13.639 2.397 1.00 3.12 H new ATOM 0 HB3 ASP A 43 4.228 14.446 3.515 1.00 3.12 H new ATOM 603 N ARG A 44 1.827 14.929 0.929 1.00 51.41 N ATOM 604 CA ARG A 44 1.567 16.106 0.087 1.00 31.23 C ATOM 605 C ARG A 44 2.109 17.422 0.662 1.00 33.33 C ATOM 606 O ARG A 44 2.044 18.421 -0.053 1.00 62.52 O ATOM 607 CB ARG A 44 0.066 16.254 -0.258 1.00 15.01 C ATOM 608 CG ARG A 44 -0.512 15.162 -1.161 1.00 62.24 C ATOM 609 CD ARG A 44 -0.063 15.326 -2.624 1.00 43.33 C ATOM 610 NE ARG A 44 -0.843 16.367 -3.310 1.00 11.23 N ATOM 611 CZ ARG A 44 -0.495 16.986 -4.442 1.00 60.24 C ATOM 612 NH1 ARG A 44 0.596 16.621 -5.107 1.00 61.13 N ATOM 613 NH2 ARG A 44 -1.246 17.987 -4.885 1.00 21.33 N ATOM 0 H ARG A 44 0.984 14.491 1.299 1.00 51.41 H new ATOM 0 HA ARG A 44 2.124 15.913 -0.830 1.00 31.23 H new ATOM 0 HB2 ARG A 44 -0.503 16.271 0.672 1.00 15.01 H new ATOM 0 HB3 ARG A 44 -0.084 17.219 -0.742 1.00 15.01 H new ATOM 0 HG2 ARG A 44 -0.200 14.185 -0.793 1.00 62.24 H new ATOM 0 HG3 ARG A 44 -1.601 15.189 -1.111 1.00 62.24 H new ATOM 0 HD2 ARG A 44 0.996 15.583 -2.655 1.00 43.33 H new ATOM 0 HD3 ARG A 44 -0.177 14.378 -3.150 1.00 43.33 H new ATOM 0 HE ARG A 44 -1.728 16.641 -2.884 1.00 11.23 H new ATOM 0 HH11 ARG A 44 1.178 15.861 -4.754 1.00 61.13 H new ATOM 0 HH12 ARG A 44 0.852 17.101 -5.970 1.00 61.13 H new ATOM 0 HH21 ARG A 44 -2.074 18.273 -4.363 1.00 21.33 H new ATOM 0 HH22 ARG A 44 -0.995 18.470 -5.747 1.00 21.33 H new ATOM 624 N ARG A 45 2.563 17.518 1.920 1.00 23.32 N ATOM 625 CA ARG A 45 3.180 18.760 2.411 1.00 75.13 C ATOM 626 C ARG A 45 4.658 18.787 2.081 1.00 54.21 C ATOM 627 O ARG A 45 5.101 19.731 1.426 1.00 71.23 O ATOM 628 CB ARG A 45 2.944 18.999 3.912 1.00 0.23 C ATOM 629 CG ARG A 45 1.742 19.930 4.112 1.00 60.35 C ATOM 630 CD ARG A 45 1.160 19.799 5.517 1.00 15.30 C ATOM 631 NE ARG A 45 2.074 20.247 6.583 1.00 21.31 N ATOM 632 CZ ARG A 45 2.510 19.472 7.584 1.00 63.13 C ATOM 633 NH1 ARG A 45 2.525 18.148 7.479 1.00 63.41 N ATOM 634 NH2 ARG A 45 2.925 20.013 8.718 1.00 55.04 N ATOM 0 H ARG A 45 2.517 16.765 2.606 1.00 23.32 H new ATOM 0 HA ARG A 45 2.687 19.582 1.892 1.00 75.13 H new ATOM 0 HB2 ARG A 45 2.767 18.049 4.416 1.00 0.23 H new ATOM 0 HB3 ARG A 45 3.834 19.438 4.363 1.00 0.23 H new ATOM 0 HG2 ARG A 45 2.047 20.962 3.938 1.00 60.35 H new ATOM 0 HG3 ARG A 45 0.973 19.697 3.375 1.00 60.35 H new ATOM 0 HD2 ARG A 45 0.238 20.378 5.574 1.00 15.30 H new ATOM 0 HD3 ARG A 45 0.893 18.757 5.694 1.00 15.30 H new ATOM 0 HE ARG A 45 2.397 21.214 6.556 1.00 21.31 H new ATOM 0 HH11 ARG A 45 2.200 17.701 6.622 1.00 63.41 H new ATOM 0 HH12 ARG A 45 2.862 17.579 8.255 1.00 63.41 H new ATOM 0 HH21 ARG A 45 2.914 21.026 8.834 1.00 55.04 H new ATOM 0 HH22 ARG A 45 3.256 19.417 9.476 1.00 55.04 H new ATOM 645 N GLU A 46 5.428 17.817 2.574 1.00 35.33 N ATOM 646 CA GLU A 46 6.882 17.878 2.464 1.00 21.31 C ATOM 647 C GLU A 46 7.383 17.243 1.164 1.00 43.21 C ATOM 648 O GLU A 46 8.494 17.550 0.730 1.00 44.24 O ATOM 649 CB GLU A 46 7.550 17.245 3.693 1.00 13.42 C ATOM 650 CG GLU A 46 7.155 17.958 4.991 1.00 75.31 C ATOM 651 CD GLU A 46 8.199 17.787 6.100 1.00 15.12 C ATOM 652 OE1 GLU A 46 8.242 16.729 6.758 1.00 41.34 O ATOM 653 OE2 GLU A 46 8.957 18.761 6.342 1.00 53.34 O ATOM 0 H GLU A 46 5.072 16.988 3.049 1.00 35.33 H new ATOM 0 HA GLU A 46 7.165 18.930 2.432 1.00 21.31 H new ATOM 0 HB2 GLU A 46 7.270 16.194 3.757 1.00 13.42 H new ATOM 0 HB3 GLU A 46 8.633 17.280 3.575 1.00 13.42 H new ATOM 0 HG2 GLU A 46 7.015 19.020 4.789 1.00 75.31 H new ATOM 0 HG3 GLU A 46 6.197 17.570 5.337 1.00 75.31 H new ATOM 658 N GLY A 47 6.582 16.410 0.492 1.00 13.00 N ATOM 659 CA GLY A 47 7.032 15.612 -0.643 1.00 21.54 C ATOM 660 C GLY A 47 7.817 14.373 -0.206 1.00 21.14 C ATOM 661 O GLY A 47 8.415 13.700 -1.049 1.00 44.42 O ATOM 0 H GLY A 47 5.598 16.273 0.725 1.00 13.00 H new ATOM 0 HA2 GLY A 47 6.169 15.303 -1.233 1.00 21.54 H new ATOM 0 HA3 GLY A 47 7.657 16.226 -1.291 1.00 21.54 H new ATOM 665 N THR A 48 7.823 14.061 1.090 1.00 72.53 N ATOM 666 CA THR A 48 8.321 12.803 1.612 1.00 31.41 C ATOM 667 C THR A 48 7.440 11.693 1.033 1.00 22.53 C ATOM 668 O THR A 48 6.229 11.862 0.877 1.00 44.35 O ATOM 669 CB THR A 48 8.342 12.830 3.155 1.00 35.22 C ATOM 670 OG1 THR A 48 7.466 13.800 3.695 1.00 44.15 O ATOM 671 CG2 THR A 48 9.733 13.190 3.680 1.00 1.15 C ATOM 0 H THR A 48 7.475 14.691 1.813 1.00 72.53 H new ATOM 0 HA THR A 48 9.353 12.621 1.314 1.00 31.41 H new ATOM 0 HB THR A 48 8.036 11.829 3.459 1.00 35.22 H new ATOM 0 HG1 THR A 48 7.405 13.681 4.666 1.00 44.15 H new ATOM 0 HG21 THR A 48 9.719 13.202 4.770 1.00 1.15 H new ATOM 0 HG22 THR A 48 10.455 12.450 3.334 1.00 1.15 H new ATOM 0 HG23 THR A 48 10.018 14.175 3.310 1.00 1.15 H new ATOM 679 N ALA A 49 8.032 10.561 0.668 1.00 3.11 N ATOM 680 CA ALA A 49 7.303 9.457 0.069 1.00 22.12 C ATOM 681 C ALA A 49 7.739 8.154 0.722 1.00 61.12 C ATOM 682 O ALA A 49 8.887 8.012 1.168 1.00 20.13 O ATOM 683 CB ALA A 49 7.531 9.468 -1.448 1.00 52.30 C ATOM 0 H ALA A 49 9.031 10.386 0.780 1.00 3.11 H new ATOM 0 HA ALA A 49 6.231 9.559 0.237 1.00 22.12 H new ATOM 0 HB1 ALA A 49 6.986 8.641 -1.904 1.00 52.30 H new ATOM 0 HB2 ALA A 49 7.174 10.411 -1.863 1.00 52.30 H new ATOM 0 HB3 ALA A 49 8.595 9.360 -1.657 1.00 52.30 H new ATOM 689 N ARG A 50 6.814 7.201 0.791 1.00 64.41 N ATOM 690 CA ARG A 50 7.046 5.860 1.315 1.00 32.35 C ATOM 691 C ARG A 50 6.387 4.821 0.432 1.00 23.41 C ATOM 692 O ARG A 50 5.478 5.117 -0.348 1.00 0.22 O ATOM 693 CB ARG A 50 6.494 5.756 2.749 1.00 2.04 C ATOM 694 CG ARG A 50 7.473 6.258 3.812 1.00 24.41 C ATOM 695 CD ARG A 50 8.752 5.421 3.840 1.00 62.34 C ATOM 696 NE ARG A 50 9.885 6.091 3.186 1.00 74.23 N ATOM 697 CZ ARG A 50 11.170 5.809 3.427 1.00 53.20 C ATOM 698 NH1 ARG A 50 11.498 4.728 4.129 1.00 61.31 N ATOM 699 NH2 ARG A 50 12.120 6.616 2.977 1.00 42.01 N ATOM 0 H ARG A 50 5.855 7.345 0.475 1.00 64.41 H new ATOM 0 HA ARG A 50 8.120 5.673 1.328 1.00 32.35 H new ATOM 0 HB2 ARG A 50 5.569 6.329 2.817 1.00 2.04 H new ATOM 0 HB3 ARG A 50 6.242 4.717 2.959 1.00 2.04 H new ATOM 0 HG2 ARG A 50 7.724 7.300 3.613 1.00 24.41 H new ATOM 0 HG3 ARG A 50 6.995 6.226 4.791 1.00 24.41 H new ATOM 0 HD2 ARG A 50 9.014 5.201 4.875 1.00 62.34 H new ATOM 0 HD3 ARG A 50 8.567 4.466 3.348 1.00 62.34 H new ATOM 0 HE ARG A 50 9.677 6.819 2.503 1.00 74.23 H new ATOM 0 HH11 ARG A 50 10.768 4.111 4.486 1.00 61.31 H new ATOM 0 HH12 ARG A 50 12.479 4.516 4.311 1.00 61.31 H new ATOM 0 HH21 ARG A 50 11.871 7.451 2.447 1.00 42.01 H new ATOM 0 HH22 ARG A 50 13.100 6.402 3.160 1.00 42.01 H new ATOM 710 N LEU A 51 6.811 3.571 0.602 1.00 41.13 N ATOM 711 CA LEU A 51 6.186 2.441 -0.060 1.00 72.30 C ATOM 712 C LEU A 51 6.126 1.312 0.936 1.00 13.21 C ATOM 713 O LEU A 51 7.105 1.052 1.637 1.00 60.44 O ATOM 714 CB LEU A 51 6.958 2.039 -1.325 1.00 34.51 C ATOM 715 CG LEU A 51 6.043 1.800 -2.531 1.00 22.15 C ATOM 716 CD1 LEU A 51 6.879 1.891 -3.795 1.00 43.30 C ATOM 717 CD2 LEU A 51 5.376 0.433 -2.536 1.00 20.34 C ATOM 0 H LEU A 51 7.596 3.319 1.202 1.00 41.13 H new ATOM 0 HA LEU A 51 5.181 2.702 -0.390 1.00 72.30 H new ATOM 0 HB2 LEU A 51 7.677 2.821 -1.570 1.00 34.51 H new ATOM 0 HB3 LEU A 51 7.529 1.133 -1.123 1.00 34.51 H new ATOM 0 HG LEU A 51 5.259 2.555 -2.477 1.00 22.15 H new ATOM 0 HD11 LEU A 51 6.243 1.723 -4.664 1.00 43.30 H new ATOM 0 HD12 LEU A 51 7.331 2.880 -3.862 1.00 43.30 H new ATOM 0 HD13 LEU A 51 7.663 1.135 -3.768 1.00 43.30 H new ATOM 0 HD21 LEU A 51 4.745 0.339 -3.420 1.00 20.34 H new ATOM 0 HD22 LEU A 51 6.140 -0.344 -2.551 1.00 20.34 H new ATOM 0 HD23 LEU A 51 4.765 0.323 -1.640 1.00 20.34 H new ATOM 728 N PHE A 52 4.991 0.631 0.975 1.00 32.51 N ATOM 729 CA PHE A 52 4.795 -0.502 1.860 1.00 31.32 C ATOM 730 C PHE A 52 4.408 -1.684 0.994 1.00 71.54 C ATOM 731 O PHE A 52 3.660 -1.542 0.027 1.00 53.44 O ATOM 732 CB PHE A 52 3.750 -0.183 2.936 1.00 13.34 C ATOM 733 CG PHE A 52 4.151 0.960 3.854 1.00 62.25 C ATOM 734 CD1 PHE A 52 5.074 0.732 4.894 1.00 42.43 C ATOM 735 CD2 PHE A 52 3.635 2.256 3.652 1.00 42.31 C ATOM 736 CE1 PHE A 52 5.468 1.795 5.726 1.00 74.54 C ATOM 737 CE2 PHE A 52 4.047 3.320 4.475 1.00 74.54 C ATOM 738 CZ PHE A 52 4.971 3.092 5.510 1.00 21.11 C ATOM 0 H PHE A 52 4.182 0.850 0.394 1.00 32.51 H new ATOM 0 HA PHE A 52 5.708 -0.740 2.406 1.00 31.32 H new ATOM 0 HB2 PHE A 52 2.806 0.066 2.451 1.00 13.34 H new ATOM 0 HB3 PHE A 52 3.575 -1.076 3.536 1.00 13.34 H new ATOM 0 HD1 PHE A 52 5.478 -0.257 5.052 1.00 42.43 H new ATOM 0 HD2 PHE A 52 2.920 2.433 2.862 1.00 42.31 H new ATOM 0 HE1 PHE A 52 6.158 1.614 6.537 1.00 74.54 H new ATOM 0 HE2 PHE A 52 3.653 4.312 4.312 1.00 74.54 H new ATOM 0 HZ PHE A 52 5.297 3.909 6.136 1.00 21.11 H new ATOM 747 N SER A 53 4.921 -2.857 1.340 1.00 33.12 N ATOM 748 CA SER A 53 4.601 -4.113 0.692 1.00 75.32 C ATOM 749 C SER A 53 4.237 -5.089 1.796 1.00 42.31 C ATOM 750 O SER A 53 4.755 -4.978 2.913 1.00 53.02 O ATOM 751 CB SER A 53 5.833 -4.552 -0.101 1.00 22.12 C ATOM 752 OG SER A 53 5.610 -5.706 -0.879 1.00 2.32 O ATOM 0 H SER A 53 5.591 -2.959 2.102 1.00 33.12 H new ATOM 0 HA SER A 53 3.766 -4.046 -0.005 1.00 75.32 H new ATOM 0 HB2 SER A 53 6.147 -3.737 -0.753 1.00 22.12 H new ATOM 0 HB3 SER A 53 6.654 -4.741 0.591 1.00 22.12 H new ATOM 0 HG SER A 53 6.463 -6.030 -1.236 1.00 2.32 H new ATOM 757 N GLU A 54 3.326 -6.013 1.511 1.00 35.50 N ATOM 758 CA GLU A 54 3.039 -7.063 2.460 1.00 71.25 C ATOM 759 C GLU A 54 4.233 -8.020 2.573 1.00 31.41 C ATOM 760 O GLU A 54 5.042 -8.161 1.648 1.00 32.51 O ATOM 761 CB GLU A 54 1.718 -7.765 2.126 1.00 20.14 C ATOM 762 CG GLU A 54 1.752 -8.665 0.885 1.00 60.35 C ATOM 763 CD GLU A 54 0.601 -9.669 0.892 1.00 42.04 C ATOM 764 OE1 GLU A 54 -0.556 -9.257 1.100 1.00 74.41 O ATOM 765 OE2 GLU A 54 0.862 -10.886 0.716 1.00 3.12 O ATOM 0 H GLU A 54 2.787 -6.051 0.646 1.00 35.50 H new ATOM 0 HA GLU A 54 2.897 -6.626 3.448 1.00 71.25 H new ATOM 0 HB2 GLU A 54 1.418 -8.367 2.984 1.00 20.14 H new ATOM 0 HB3 GLU A 54 0.948 -7.007 1.984 1.00 20.14 H new ATOM 0 HG2 GLU A 54 1.695 -8.050 -0.013 1.00 60.35 H new ATOM 0 HG3 GLU A 54 2.702 -9.198 0.847 1.00 60.35 H new ATOM 770 N ALA A 55 4.314 -8.716 3.700 1.00 0.43 N ATOM 771 CA ALA A 55 5.033 -9.964 3.887 1.00 20.44 C ATOM 772 C ALA A 55 4.268 -10.747 4.957 1.00 0.31 C ATOM 773 O ALA A 55 3.457 -10.157 5.676 1.00 71.42 O ATOM 774 CB ALA A 55 6.481 -9.678 4.305 1.00 11.25 C ATOM 0 H ALA A 55 3.853 -8.405 4.555 1.00 0.43 H new ATOM 0 HA ALA A 55 5.089 -10.547 2.968 1.00 20.44 H new ATOM 0 HB1 ALA A 55 7.013 -10.620 4.443 1.00 11.25 H new ATOM 0 HB2 ALA A 55 6.975 -9.093 3.529 1.00 11.25 H new ATOM 0 HB3 ALA A 55 6.486 -9.118 5.240 1.00 11.25 H new ATOM 780 N THR A 56 4.529 -12.043 5.103 1.00 52.15 N ATOM 781 CA THR A 56 3.864 -12.908 6.074 1.00 53.04 C ATOM 782 C THR A 56 4.925 -13.706 6.829 1.00 33.53 C ATOM 783 O THR A 56 5.837 -14.264 6.208 1.00 34.32 O ATOM 784 CB THR A 56 2.812 -13.813 5.393 1.00 53.34 C ATOM 785 OG1 THR A 56 3.078 -14.041 4.016 1.00 40.44 O ATOM 786 CG2 THR A 56 1.414 -13.211 5.521 1.00 3.30 C ATOM 0 H THR A 56 5.223 -12.532 4.538 1.00 52.15 H new ATOM 0 HA THR A 56 3.312 -12.302 6.792 1.00 53.04 H new ATOM 0 HB THR A 56 2.867 -14.770 5.912 1.00 53.34 H new ATOM 0 HG1 THR A 56 2.382 -14.620 3.640 1.00 40.44 H new ATOM 0 HG21 THR A 56 0.690 -13.865 5.035 1.00 3.30 H new ATOM 0 HG22 THR A 56 1.158 -13.107 6.575 1.00 3.30 H new ATOM 0 HG23 THR A 56 1.395 -12.231 5.045 1.00 3.30 H new ATOM 794 N ARG A 57 4.865 -13.716 8.165 1.00 15.40 N ATOM 795 CA ARG A 57 5.817 -14.448 9.006 1.00 12.23 C ATOM 796 C ARG A 57 5.602 -15.957 8.894 1.00 14.20 C ATOM 797 O ARG A 57 4.653 -16.408 8.253 1.00 31.43 O ATOM 798 CB ARG A 57 5.739 -13.998 10.477 1.00 52.04 C ATOM 799 CG ARG A 57 5.816 -12.473 10.678 1.00 11.04 C ATOM 800 CD ARG A 57 6.501 -12.104 12.006 1.00 75.13 C ATOM 801 NE ARG A 57 7.490 -11.020 11.854 1.00 40.22 N ATOM 802 CZ ARG A 57 8.571 -11.018 11.066 1.00 32.51 C ATOM 803 NH1 ARG A 57 8.938 -12.123 10.421 1.00 73.40 N ATOM 804 NH2 ARG A 57 9.274 -9.904 10.907 1.00 40.04 N ATOM 0 H ARG A 57 4.152 -13.215 8.695 1.00 15.40 H new ATOM 0 HA ARG A 57 6.817 -14.215 8.640 1.00 12.23 H new ATOM 0 HB2 ARG A 57 4.806 -14.363 10.907 1.00 52.04 H new ATOM 0 HB3 ARG A 57 6.551 -14.467 11.032 1.00 52.04 H new ATOM 0 HG2 ARG A 57 6.364 -12.025 9.850 1.00 11.04 H new ATOM 0 HG3 ARG A 57 4.810 -12.053 10.659 1.00 11.04 H new ATOM 0 HD2 ARG A 57 5.744 -11.801 12.729 1.00 75.13 H new ATOM 0 HD3 ARG A 57 6.995 -12.986 12.413 1.00 75.13 H new ATOM 0 HE ARG A 57 7.332 -10.180 12.411 1.00 40.22 H new ATOM 0 HH11 ARG A 57 8.394 -12.979 10.526 1.00 73.40 H new ATOM 0 HH12 ARG A 57 9.763 -12.113 9.822 1.00 73.40 H new ATOM 0 HH21 ARG A 57 8.990 -9.049 11.386 1.00 40.04 H new ATOM 0 HH22 ARG A 57 10.098 -9.902 10.306 1.00 40.04 H new ATOM 815 N GLY A 58 6.416 -16.730 9.613 1.00 31.33 N ATOM 816 CA GLY A 58 6.301 -18.178 9.734 1.00 31.55 C ATOM 817 C GLY A 58 5.012 -18.679 10.377 1.00 74.44 C ATOM 818 O GLY A 58 4.885 -19.892 10.543 1.00 42.11 O ATOM 0 H GLY A 58 7.199 -16.349 10.144 1.00 31.33 H new ATOM 0 HA2 GLY A 58 6.386 -18.617 8.740 1.00 31.55 H new ATOM 0 HA3 GLY A 58 7.145 -18.545 10.318 1.00 31.55 H new ATOM 822 N ASP A 59 4.071 -17.814 10.761 1.00 1.10 N ATOM 823 CA ASP A 59 2.731 -18.218 11.195 1.00 72.51 C ATOM 824 C ASP A 59 1.633 -17.561 10.345 1.00 52.13 C ATOM 825 O ASP A 59 0.467 -17.494 10.736 1.00 24.42 O ATOM 826 CB ASP A 59 2.533 -17.986 12.695 1.00 32.51 C ATOM 827 CG ASP A 59 1.387 -18.851 13.211 1.00 1.20 C ATOM 828 OD1 ASP A 59 1.447 -20.081 13.025 1.00 12.04 O ATOM 829 OD2 ASP A 59 0.394 -18.331 13.771 1.00 24.32 O ATOM 0 H ASP A 59 4.218 -16.805 10.780 1.00 1.10 H new ATOM 0 HA ASP A 59 2.643 -19.292 11.031 1.00 72.51 H new ATOM 0 HB2 ASP A 59 3.451 -18.225 13.232 1.00 32.51 H new ATOM 0 HB3 ASP A 59 2.319 -16.934 12.883 1.00 32.51 H new ATOM 833 N GLY A 60 2.007 -17.018 9.182 1.00 1.00 N ATOM 834 CA GLY A 60 1.100 -16.284 8.314 1.00 11.13 C ATOM 835 C GLY A 60 0.709 -14.922 8.892 1.00 22.10 C ATOM 836 O GLY A 60 -0.236 -14.305 8.408 1.00 22.43 O ATOM 0 H GLY A 60 2.958 -17.080 8.819 1.00 1.00 H new ATOM 0 HA2 GLY A 60 1.570 -16.141 7.341 1.00 11.13 H new ATOM 0 HA3 GLY A 60 0.200 -16.877 8.149 1.00 11.13 H new ATOM 840 N GLU A 61 1.411 -14.441 9.920 1.00 44.13 N ATOM 841 CA GLU A 61 1.195 -13.128 10.510 1.00 4.11 C ATOM 842 C GLU A 61 1.616 -12.106 9.460 1.00 0.03 C ATOM 843 O GLU A 61 2.801 -12.039 9.124 1.00 63.44 O ATOM 844 CB GLU A 61 2.033 -13.057 11.791 1.00 22.40 C ATOM 845 CG GLU A 61 2.123 -11.678 12.458 1.00 11.22 C ATOM 846 CD GLU A 61 3.197 -11.669 13.550 1.00 24.43 C ATOM 847 OE1 GLU A 61 3.420 -12.716 14.199 1.00 3.33 O ATOM 848 OE2 GLU A 61 3.843 -10.623 13.751 1.00 60.42 O ATOM 0 H GLU A 61 2.159 -14.967 10.371 1.00 44.13 H new ATOM 0 HA GLU A 61 0.159 -12.930 10.785 1.00 4.11 H new ATOM 0 HB2 GLU A 61 1.619 -13.762 12.512 1.00 22.40 H new ATOM 0 HB3 GLU A 61 3.044 -13.394 11.560 1.00 22.40 H new ATOM 0 HG2 GLU A 61 2.354 -10.921 11.708 1.00 11.22 H new ATOM 0 HG3 GLU A 61 1.157 -11.414 12.890 1.00 11.22 H new ATOM 853 N ARG A 62 0.662 -11.397 8.857 1.00 33.24 N ATOM 854 CA ARG A 62 0.978 -10.419 7.830 1.00 3.34 C ATOM 855 C ARG A 62 1.541 -9.162 8.482 1.00 23.23 C ATOM 856 O ARG A 62 1.155 -8.813 9.594 1.00 53.31 O ATOM 857 CB ARG A 62 -0.275 -10.150 6.991 1.00 23.11 C ATOM 858 CG ARG A 62 0.039 -9.328 5.731 1.00 51.02 C ATOM 859 CD ARG A 62 -0.833 -9.730 4.541 1.00 61.35 C ATOM 860 NE ARG A 62 -2.216 -9.269 4.683 1.00 15.11 N ATOM 861 CZ ARG A 62 -3.156 -9.317 3.734 1.00 60.43 C ATOM 862 NH1 ARG A 62 -2.887 -9.651 2.476 1.00 23.21 N ATOM 863 NH2 ARG A 62 -4.389 -8.993 4.081 1.00 0.21 N ATOM 0 H ARG A 62 -0.333 -11.485 9.065 1.00 33.24 H new ATOM 0 HA ARG A 62 1.745 -10.796 7.154 1.00 3.34 H new ATOM 0 HB2 ARG A 62 -0.727 -11.098 6.701 1.00 23.11 H new ATOM 0 HB3 ARG A 62 -1.009 -9.619 7.597 1.00 23.11 H new ATOM 0 HG2 ARG A 62 -0.108 -8.269 5.945 1.00 51.02 H new ATOM 0 HG3 ARG A 62 1.089 -9.457 5.469 1.00 51.02 H new ATOM 0 HD2 ARG A 62 -0.407 -9.318 3.626 1.00 61.35 H new ATOM 0 HD3 ARG A 62 -0.823 -10.815 4.437 1.00 61.35 H new ATOM 0 HE ARG A 62 -2.485 -8.877 5.585 1.00 15.11 H new ATOM 0 HH11 ARG A 62 -1.932 -9.883 2.203 1.00 23.21 H new ATOM 0 HH12 ARG A 62 -3.635 -9.675 1.783 1.00 23.21 H new ATOM 0 HH21 ARG A 62 -4.593 -8.720 5.042 1.00 0.21 H new ATOM 0 HH22 ARG A 62 -5.137 -9.016 3.388 1.00 0.21 H new ATOM 874 N PHE A 63 2.428 -8.467 7.777 1.00 63.23 N ATOM 875 CA PHE A 63 2.957 -7.169 8.162 1.00 1.04 C ATOM 876 C PHE A 63 3.133 -6.304 6.918 1.00 34.11 C ATOM 877 O PHE A 63 3.071 -6.794 5.785 1.00 44.04 O ATOM 878 CB PHE A 63 4.247 -7.313 9.000 1.00 4.10 C ATOM 879 CG PHE A 63 5.443 -8.050 8.397 1.00 73.25 C ATOM 880 CD1 PHE A 63 5.410 -9.450 8.225 1.00 24.12 C ATOM 881 CD2 PHE A 63 6.645 -7.357 8.124 1.00 13.43 C ATOM 882 CE1 PHE A 63 6.554 -10.146 7.791 1.00 75.23 C ATOM 883 CE2 PHE A 63 7.797 -8.060 7.724 1.00 4.22 C ATOM 884 CZ PHE A 63 7.753 -9.453 7.556 1.00 64.11 C ATOM 0 H PHE A 63 2.809 -8.805 6.893 1.00 63.23 H new ATOM 0 HA PHE A 63 2.246 -6.661 8.814 1.00 1.04 H new ATOM 0 HB2 PHE A 63 4.579 -6.310 9.268 1.00 4.10 H new ATOM 0 HB3 PHE A 63 3.982 -7.819 9.928 1.00 4.10 H new ATOM 0 HD1 PHE A 63 4.499 -9.993 8.428 1.00 24.12 H new ATOM 0 HD2 PHE A 63 6.679 -6.282 8.223 1.00 13.43 H new ATOM 0 HE1 PHE A 63 6.510 -11.214 7.638 1.00 75.23 H new ATOM 0 HE2 PHE A 63 8.718 -7.526 7.546 1.00 4.22 H new ATOM 0 HZ PHE A 63 8.638 -9.990 7.247 1.00 64.11 H new ATOM 893 N TRP A 64 3.315 -5.001 7.119 1.00 44.13 N ATOM 894 CA TRP A 64 3.691 -4.036 6.101 1.00 73.33 C ATOM 895 C TRP A 64 5.179 -3.772 6.257 1.00 0.02 C ATOM 896 O TRP A 64 5.594 -3.024 7.139 1.00 1.31 O ATOM 897 CB TRP A 64 2.901 -2.741 6.279 1.00 53.25 C ATOM 898 CG TRP A 64 1.456 -2.813 5.952 1.00 4.40 C ATOM 899 CD1 TRP A 64 0.423 -2.668 6.812 1.00 20.42 C ATOM 900 CD2 TRP A 64 0.870 -3.065 4.655 1.00 35.34 C ATOM 901 NE1 TRP A 64 -0.767 -2.785 6.116 1.00 60.35 N ATOM 902 CE2 TRP A 64 -0.546 -3.081 4.790 1.00 62.45 C ATOM 903 CE3 TRP A 64 1.414 -3.328 3.384 1.00 21.31 C ATOM 904 CZ2 TRP A 64 -1.388 -3.377 3.714 1.00 13.04 C ATOM 905 CZ3 TRP A 64 0.580 -3.636 2.301 1.00 55.41 C ATOM 906 CH2 TRP A 64 -0.813 -3.684 2.471 1.00 12.42 C ATOM 0 H TRP A 64 3.198 -4.575 8.038 1.00 44.13 H new ATOM 0 HA TRP A 64 3.471 -4.422 5.106 1.00 73.33 H new ATOM 0 HB2 TRP A 64 3.004 -2.415 7.314 1.00 53.25 H new ATOM 0 HB3 TRP A 64 3.357 -1.972 5.656 1.00 53.25 H new ATOM 0 HD1 TRP A 64 0.512 -2.489 7.873 1.00 20.42 H new ATOM 0 HE1 TRP A 64 -1.691 -2.667 6.532 1.00 60.35 H new ATOM 0 HE3 TRP A 64 2.484 -3.292 3.242 1.00 21.31 H new ATOM 0 HZ2 TRP A 64 -2.461 -3.370 3.837 1.00 13.04 H new ATOM 0 HZ3 TRP A 64 1.010 -3.837 1.331 1.00 55.41 H new ATOM 0 HH2 TRP A 64 -1.446 -3.959 1.640 1.00 12.42 H new ATOM 916 N MET A 65 5.993 -4.413 5.436 1.00 61.13 N ATOM 917 CA MET A 65 7.413 -4.146 5.391 1.00 71.10 C ATOM 918 C MET A 65 7.735 -3.018 4.415 1.00 35.42 C ATOM 919 O MET A 65 6.887 -2.584 3.627 1.00 2.34 O ATOM 920 CB MET A 65 8.185 -5.426 5.097 1.00 13.43 C ATOM 921 CG MET A 65 7.998 -6.001 3.688 1.00 2.05 C ATOM 922 SD MET A 65 9.562 -6.445 2.888 1.00 4.33 S ATOM 923 CE MET A 65 10.252 -7.543 4.155 1.00 44.01 C ATOM 0 H MET A 65 5.684 -5.133 4.783 1.00 61.13 H new ATOM 0 HA MET A 65 7.737 -3.796 6.371 1.00 71.10 H new ATOM 0 HB2 MET A 65 9.246 -5.234 5.254 1.00 13.43 H new ATOM 0 HB3 MET A 65 7.888 -6.184 5.822 1.00 13.43 H new ATOM 0 HG2 MET A 65 7.362 -6.884 3.744 1.00 2.05 H new ATOM 0 HG3 MET A 65 7.475 -5.271 3.070 1.00 2.05 H new ATOM 0 HE1 MET A 65 10.939 -8.250 3.689 1.00 44.01 H new ATOM 0 HE2 MET A 65 10.788 -6.951 4.897 1.00 44.01 H new ATOM 0 HE3 MET A 65 9.444 -8.089 4.642 1.00 44.01 H new ATOM 931 N GLN A 66 8.992 -2.574 4.448 1.00 74.33 N ATOM 932 CA GLN A 66 9.537 -1.570 3.550 1.00 55.00 C ATOM 933 C GLN A 66 10.702 -2.181 2.763 1.00 0.43 C ATOM 934 O GLN A 66 11.850 -2.059 3.201 1.00 33.54 O ATOM 935 CB GLN A 66 9.956 -0.313 4.324 1.00 44.12 C ATOM 936 CG GLN A 66 8.739 0.435 4.876 1.00 14.14 C ATOM 937 CD GLN A 66 9.087 1.871 5.251 1.00 71.33 C ATOM 938 OE1 GLN A 66 9.665 2.622 4.466 1.00 2.11 O ATOM 939 NE2 GLN A 66 8.710 2.313 6.435 1.00 73.34 N ATOM 0 H GLN A 66 9.675 -2.917 5.123 1.00 74.33 H new ATOM 0 HA GLN A 66 8.771 -1.255 2.841 1.00 55.00 H new ATOM 0 HB2 GLN A 66 10.616 -0.593 5.145 1.00 44.12 H new ATOM 0 HB3 GLN A 66 10.524 0.347 3.669 1.00 44.12 H new ATOM 0 HG2 GLN A 66 7.943 0.435 4.132 1.00 14.14 H new ATOM 0 HG3 GLN A 66 8.356 -0.088 5.752 1.00 14.14 H new ATOM 0 HE21 GLN A 66 8.231 1.688 7.084 1.00 73.34 H new ATOM 0 HE22 GLN A 66 8.897 3.279 6.702 1.00 73.34 H new ATOM 946 N PRO A 67 10.430 -2.877 1.642 1.00 64.41 N ATOM 947 CA PRO A 67 11.452 -3.518 0.815 1.00 23.45 C ATOM 948 C PRO A 67 12.308 -2.530 0.011 1.00 52.12 C ATOM 949 O PRO A 67 13.274 -2.954 -0.624 1.00 1.21 O ATOM 950 CB PRO A 67 10.692 -4.462 -0.119 1.00 22.55 C ATOM 951 CG PRO A 67 9.321 -3.805 -0.242 1.00 60.43 C ATOM 952 CD PRO A 67 9.104 -3.187 1.131 1.00 13.44 C ATOM 0 HA PRO A 67 12.166 -4.039 1.452 1.00 23.45 H new ATOM 0 HB2 PRO A 67 11.184 -4.551 -1.088 1.00 22.55 H new ATOM 0 HB3 PRO A 67 10.621 -5.467 0.296 1.00 22.55 H new ATOM 0 HG2 PRO A 67 9.305 -3.051 -1.029 1.00 60.43 H new ATOM 0 HG3 PRO A 67 8.546 -4.533 -0.482 1.00 60.43 H new ATOM 0 HD2 PRO A 67 8.492 -2.288 1.062 1.00 13.44 H new ATOM 0 HD3 PRO A 67 8.582 -3.878 1.793 1.00 13.44 H new ATOM 957 N VAL A 68 11.991 -1.232 0.023 1.00 34.43 N ATOM 958 CA VAL A 68 12.828 -0.194 -0.557 1.00 43.04 C ATOM 959 C VAL A 68 13.072 0.873 0.512 1.00 61.31 C ATOM 960 O VAL A 68 12.333 1.850 0.664 1.00 14.31 O ATOM 961 CB VAL A 68 12.290 0.256 -1.934 1.00 61.53 C ATOM 962 CG1 VAL A 68 10.788 0.572 -1.994 1.00 71.32 C ATOM 963 CG2 VAL A 68 13.120 1.422 -2.484 1.00 54.12 C ATOM 0 H VAL A 68 11.133 -0.875 0.443 1.00 34.43 H new ATOM 0 HA VAL A 68 13.822 -0.551 -0.826 1.00 43.04 H new ATOM 0 HB VAL A 68 12.405 -0.619 -2.574 1.00 61.53 H new ATOM 0 HG11 VAL A 68 10.520 0.877 -3.006 1.00 71.32 H new ATOM 0 HG12 VAL A 68 10.218 -0.316 -1.720 1.00 71.32 H new ATOM 0 HG13 VAL A 68 10.558 1.379 -1.299 1.00 71.32 H new ATOM 0 HG21 VAL A 68 12.725 1.724 -3.454 1.00 54.12 H new ATOM 0 HG22 VAL A 68 13.068 2.263 -1.793 1.00 54.12 H new ATOM 0 HG23 VAL A 68 14.158 1.109 -2.596 1.00 54.12 H new ATOM 973 N ARG A 69 14.143 0.669 1.283 1.00 43.03 N ATOM 974 CA ARG A 69 14.693 1.607 2.263 1.00 22.41 C ATOM 975 C ARG A 69 15.504 2.664 1.500 1.00 75.52 C ATOM 976 O ARG A 69 16.701 2.851 1.718 1.00 73.34 O ATOM 977 CB ARG A 69 15.520 0.813 3.298 1.00 75.22 C ATOM 978 CG ARG A 69 16.011 1.612 4.520 1.00 22.55 C ATOM 979 CD ARG A 69 14.937 1.882 5.580 1.00 73.10 C ATOM 980 NE ARG A 69 14.724 0.729 6.470 1.00 53.32 N ATOM 981 CZ ARG A 69 15.224 0.520 7.696 1.00 20.51 C ATOM 982 NH1 ARG A 69 16.021 1.396 8.303 1.00 53.43 N ATOM 983 NH2 ARG A 69 14.909 -0.600 8.328 1.00 74.11 N ATOM 0 H ARG A 69 14.677 -0.199 1.238 1.00 43.03 H new ATOM 0 HA ARG A 69 13.918 2.132 2.822 1.00 22.41 H new ATOM 0 HB2 ARG A 69 14.917 -0.023 3.653 1.00 75.22 H new ATOM 0 HB3 ARG A 69 16.388 0.388 2.793 1.00 75.22 H new ATOM 0 HG2 ARG A 69 16.834 1.069 4.986 1.00 22.55 H new ATOM 0 HG3 ARG A 69 16.412 2.566 4.177 1.00 22.55 H new ATOM 0 HD2 ARG A 69 15.227 2.748 6.175 1.00 73.10 H new ATOM 0 HD3 ARG A 69 13.999 2.135 5.086 1.00 73.10 H new ATOM 0 HE ARG A 69 14.117 -0.006 6.107 1.00 53.32 H new ATOM 0 HH11 ARG A 69 16.273 2.266 7.834 1.00 53.43 H new ATOM 0 HH12 ARG A 69 16.380 1.197 9.237 1.00 53.43 H new ATOM 0 HH21 ARG A 69 14.297 -1.283 7.881 1.00 74.11 H new ATOM 0 HH22 ARG A 69 15.278 -0.780 9.262 1.00 74.11 H new ATOM 994 N SER A 70 14.844 3.343 0.572 1.00 62.30 N ATOM 995 CA SER A 70 15.305 4.509 -0.151 1.00 53.12 C ATOM 996 C SER A 70 14.151 5.500 -0.119 1.00 34.32 C ATOM 997 O SER A 70 13.055 5.198 0.361 1.00 23.14 O ATOM 998 CB SER A 70 15.743 4.115 -1.564 1.00 71.34 C ATOM 999 OG SER A 70 16.381 5.194 -2.228 1.00 41.10 O ATOM 0 H SER A 70 13.904 3.069 0.288 1.00 62.30 H new ATOM 0 HA SER A 70 16.186 4.968 0.297 1.00 53.12 H new ATOM 0 HB2 SER A 70 16.423 3.265 -1.512 1.00 71.34 H new ATOM 0 HB3 SER A 70 14.875 3.794 -2.139 1.00 71.34 H new ATOM 0 HG SER A 70 16.837 4.861 -3.029 1.00 41.10 H new ATOM 1004 N THR A 71 14.424 6.712 -0.578 1.00 42.33 N ATOM 1005 CA THR A 71 13.502 7.827 -0.446 1.00 40.11 C ATOM 1006 C THR A 71 13.548 8.700 -1.719 1.00 2.43 C ATOM 1007 O THR A 71 12.901 9.743 -1.806 1.00 55.00 O ATOM 1008 CB THR A 71 13.778 8.474 0.916 1.00 12.11 C ATOM 1009 OG1 THR A 71 12.636 9.127 1.426 1.00 74.41 O ATOM 1010 CG2 THR A 71 14.947 9.416 0.787 1.00 53.02 C ATOM 0 H THR A 71 15.294 6.949 -1.054 1.00 42.33 H new ATOM 0 HA THR A 71 12.448 7.552 -0.413 1.00 40.11 H new ATOM 0 HB THR A 71 14.028 7.693 1.634 1.00 12.11 H new ATOM 0 HG1 THR A 71 12.187 9.613 0.703 1.00 74.41 H new ATOM 0 HG21 THR A 71 15.149 9.880 1.753 1.00 53.02 H new ATOM 0 HG22 THR A 71 15.827 8.862 0.460 1.00 53.02 H new ATOM 0 HG23 THR A 71 14.712 10.189 0.055 1.00 53.02 H new ATOM 1018 N PHE A 72 14.304 8.275 -2.742 1.00 54.14 N ATOM 1019 CA PHE A 72 14.187 8.872 -4.069 1.00 23.41 C ATOM 1020 C PHE A 72 12.805 8.555 -4.630 1.00 52.03 C ATOM 1021 O PHE A 72 12.377 7.404 -4.601 1.00 52.23 O ATOM 1022 CB PHE A 72 15.264 8.329 -5.022 1.00 62.31 C ATOM 1023 CG PHE A 72 16.541 9.133 -5.048 1.00 34.24 C ATOM 1024 CD1 PHE A 72 16.511 10.485 -5.449 1.00 41.31 C ATOM 1025 CD2 PHE A 72 17.767 8.526 -4.715 1.00 14.41 C ATOM 1026 CE1 PHE A 72 17.699 11.233 -5.485 1.00 43.00 C ATOM 1027 CE2 PHE A 72 18.952 9.278 -4.752 1.00 13.45 C ATOM 1028 CZ PHE A 72 18.917 10.632 -5.126 1.00 22.13 C ATOM 0 H PHE A 72 14.995 7.528 -2.672 1.00 54.14 H new ATOM 0 HA PHE A 72 14.326 9.949 -3.981 1.00 23.41 H new ATOM 0 HB2 PHE A 72 15.501 7.304 -4.736 1.00 62.31 H new ATOM 0 HB3 PHE A 72 14.853 8.291 -6.031 1.00 62.31 H new ATOM 0 HD1 PHE A 72 15.575 10.945 -5.728 1.00 41.31 H new ATOM 0 HD2 PHE A 72 17.796 7.484 -4.432 1.00 14.41 H new ATOM 0 HE1 PHE A 72 17.676 12.269 -5.788 1.00 43.00 H new ATOM 0 HE2 PHE A 72 19.892 8.815 -4.492 1.00 13.45 H new ATOM 0 HZ PHE A 72 19.828 11.212 -5.137 1.00 22.13 H new ATOM 1037 N GLU A 73 12.147 9.553 -5.210 1.00 43.22 N ATOM 1038 CA GLU A 73 10.905 9.384 -5.956 1.00 0.12 C ATOM 1039 C GLU A 73 11.007 8.228 -6.978 1.00 73.22 C ATOM 1040 O GLU A 73 10.225 7.283 -6.865 1.00 52.34 O ATOM 1041 CB GLU A 73 10.557 10.753 -6.556 1.00 2.05 C ATOM 1042 CG GLU A 73 9.288 10.822 -7.400 1.00 21.44 C ATOM 1043 CD GLU A 73 9.194 12.205 -8.048 1.00 2.11 C ATOM 1044 OE1 GLU A 73 9.133 13.217 -7.304 1.00 11.14 O ATOM 1045 OE2 GLU A 73 9.263 12.309 -9.294 1.00 23.11 O ATOM 0 H GLU A 73 12.468 10.520 -5.174 1.00 43.22 H new ATOM 0 HA GLU A 73 10.082 9.074 -5.312 1.00 0.12 H new ATOM 0 HB2 GLU A 73 10.464 11.470 -5.740 1.00 2.05 H new ATOM 0 HB3 GLU A 73 11.395 11.079 -7.172 1.00 2.05 H new ATOM 0 HG2 GLU A 73 9.303 10.047 -8.167 1.00 21.44 H new ATOM 0 HG3 GLU A 73 8.412 10.637 -6.778 1.00 21.44 H new ATOM 1050 N PRO A 74 11.974 8.214 -7.921 1.00 74.42 N ATOM 1051 CA PRO A 74 12.103 7.123 -8.882 1.00 22.54 C ATOM 1052 C PRO A 74 12.731 5.839 -8.307 1.00 63.52 C ATOM 1053 O PRO A 74 12.916 4.882 -9.060 1.00 33.45 O ATOM 1054 CB PRO A 74 12.940 7.706 -10.025 1.00 11.01 C ATOM 1055 CG PRO A 74 13.870 8.671 -9.294 1.00 61.40 C ATOM 1056 CD PRO A 74 12.926 9.270 -8.258 1.00 62.53 C ATOM 0 HA PRO A 74 11.118 6.788 -9.207 1.00 22.54 H new ATOM 0 HB2 PRO A 74 13.494 6.933 -10.557 1.00 11.01 H new ATOM 0 HB3 PRO A 74 12.321 8.218 -10.761 1.00 11.01 H new ATOM 0 HG2 PRO A 74 14.714 8.158 -8.833 1.00 61.40 H new ATOM 0 HG3 PRO A 74 14.283 9.428 -9.961 1.00 61.40 H new ATOM 0 HD2 PRO A 74 13.474 9.598 -7.374 1.00 62.53 H new ATOM 0 HD3 PRO A 74 12.413 10.145 -8.658 1.00 62.53 H new ATOM 1061 N ASP A 75 13.086 5.770 -7.018 1.00 33.11 N ATOM 1062 CA ASP A 75 13.408 4.489 -6.370 1.00 43.01 C ATOM 1063 C ASP A 75 12.122 3.813 -5.914 1.00 2.34 C ATOM 1064 O ASP A 75 12.024 2.586 -5.886 1.00 12.13 O ATOM 1065 CB ASP A 75 14.294 4.665 -5.127 1.00 53.01 C ATOM 1066 CG ASP A 75 15.786 4.621 -5.425 1.00 1.44 C ATOM 1067 OD1 ASP A 75 16.231 5.084 -6.496 1.00 55.34 O ATOM 1068 OD2 ASP A 75 16.533 4.124 -4.558 1.00 2.01 O ATOM 0 H ASP A 75 13.158 6.581 -6.404 1.00 33.11 H new ATOM 0 HA ASP A 75 13.945 3.892 -7.107 1.00 43.01 H new ATOM 0 HB2 ASP A 75 14.055 5.618 -4.654 1.00 53.01 H new ATOM 0 HB3 ASP A 75 14.053 3.883 -4.407 1.00 53.01 H new ATOM 1072 N LEU A 76 11.148 4.621 -5.504 1.00 52.44 N ATOM 1073 CA LEU A 76 9.894 4.174 -4.940 1.00 60.23 C ATOM 1074 C LEU A 76 8.987 3.780 -6.092 1.00 73.30 C ATOM 1075 O LEU A 76 8.529 2.643 -6.130 1.00 73.32 O ATOM 1076 CB LEU A 76 9.292 5.286 -4.060 1.00 35.22 C ATOM 1077 CG LEU A 76 10.158 5.620 -2.826 1.00 55.20 C ATOM 1078 CD1 LEU A 76 9.660 6.909 -2.177 1.00 53.33 C ATOM 1079 CD2 LEU A 76 10.155 4.512 -1.769 1.00 23.43 C ATOM 0 H LEU A 76 11.220 5.637 -5.560 1.00 52.44 H new ATOM 0 HA LEU A 76 10.030 3.308 -4.292 1.00 60.23 H new ATOM 0 HB2 LEU A 76 9.164 6.187 -4.661 1.00 35.22 H new ATOM 0 HB3 LEU A 76 8.300 4.981 -3.728 1.00 35.22 H new ATOM 0 HG LEU A 76 11.180 5.730 -3.189 1.00 55.20 H new ATOM 0 HD11 LEU A 76 10.275 7.139 -1.307 1.00 53.33 H new ATOM 0 HD12 LEU A 76 9.726 7.727 -2.895 1.00 53.33 H new ATOM 0 HD13 LEU A 76 8.623 6.782 -1.865 1.00 53.33 H new ATOM 0 HD21 LEU A 76 10.782 4.809 -0.929 1.00 23.43 H new ATOM 0 HD22 LEU A 76 9.136 4.345 -1.420 1.00 23.43 H new ATOM 0 HD23 LEU A 76 10.545 3.592 -2.205 1.00 23.43 H new ATOM 1090 N ASP A 77 8.752 4.679 -7.052 1.00 40.24 N ATOM 1091 CA ASP A 77 7.783 4.411 -8.116 1.00 34.24 C ATOM 1092 C ASP A 77 8.172 3.191 -8.959 1.00 23.41 C ATOM 1093 O ASP A 77 7.303 2.408 -9.353 1.00 31.42 O ATOM 1094 CB ASP A 77 7.572 5.649 -8.997 1.00 40.23 C ATOM 1095 CG ASP A 77 6.248 5.511 -9.744 1.00 55.23 C ATOM 1096 OD1 ASP A 77 5.227 5.338 -9.040 1.00 74.41 O ATOM 1097 OD2 ASP A 77 6.227 5.549 -11.000 1.00 40.54 O ATOM 0 H ASP A 77 9.213 5.587 -7.114 1.00 40.24 H new ATOM 0 HA ASP A 77 6.835 4.174 -7.632 1.00 34.24 H new ATOM 0 HB2 ASP A 77 7.566 6.550 -8.384 1.00 40.23 H new ATOM 0 HB3 ASP A 77 8.394 5.751 -9.705 1.00 40.23 H new ATOM 1101 N ALA A 78 9.484 2.974 -9.121 1.00 13.03 N ATOM 1102 CA ALA A 78 10.082 1.802 -9.750 1.00 42.33 C ATOM 1103 C ALA A 78 9.618 0.495 -9.111 1.00 71.22 C ATOM 1104 O ALA A 78 9.391 -0.486 -9.822 1.00 15.34 O ATOM 1105 CB ALA A 78 11.606 1.911 -9.670 1.00 61.44 C ATOM 0 H ALA A 78 10.184 3.644 -8.801 1.00 13.03 H new ATOM 0 HA ALA A 78 9.757 1.780 -10.790 1.00 42.33 H new ATOM 0 HB1 ALA A 78 12.058 1.037 -10.139 1.00 61.44 H new ATOM 0 HB2 ALA A 78 11.934 2.812 -10.189 1.00 61.44 H new ATOM 0 HB3 ALA A 78 11.913 1.962 -8.625 1.00 61.44 H new ATOM 1111 N TYR A 79 9.456 0.467 -7.786 1.00 1.02 N ATOM 1112 CA TYR A 79 9.036 -0.738 -7.087 1.00 44.11 C ATOM 1113 C TYR A 79 7.658 -1.177 -7.585 1.00 3.31 C ATOM 1114 O TYR A 79 7.447 -2.346 -7.914 1.00 73.10 O ATOM 1115 CB TYR A 79 8.985 -0.484 -5.578 1.00 43.41 C ATOM 1116 CG TYR A 79 8.878 -1.761 -4.782 1.00 52.43 C ATOM 1117 CD1 TYR A 79 10.046 -2.432 -4.382 1.00 22.43 C ATOM 1118 CD2 TYR A 79 7.613 -2.316 -4.522 1.00 44.30 C ATOM 1119 CE1 TYR A 79 9.955 -3.678 -3.742 1.00 2.22 C ATOM 1120 CE2 TYR A 79 7.516 -3.578 -3.910 1.00 33.43 C ATOM 1121 CZ TYR A 79 8.689 -4.269 -3.528 1.00 75.11 C ATOM 1122 OH TYR A 79 8.612 -5.504 -2.967 1.00 44.01 O ATOM 0 H TYR A 79 9.611 1.271 -7.178 1.00 1.02 H new ATOM 0 HA TYR A 79 9.758 -1.529 -7.288 1.00 44.11 H new ATOM 0 HB2 TYR A 79 9.881 0.057 -5.273 1.00 43.41 H new ATOM 0 HB3 TYR A 79 8.133 0.156 -5.349 1.00 43.41 H new ATOM 0 HD1 TYR A 79 11.014 -1.989 -4.567 1.00 22.43 H new ATOM 0 HD2 TYR A 79 6.718 -1.775 -4.792 1.00 44.30 H new ATOM 0 HE1 TYR A 79 10.851 -4.184 -3.414 1.00 2.22 H new ATOM 0 HE2 TYR A 79 6.546 -4.019 -3.732 1.00 33.43 H new ATOM 0 HH TYR A 79 7.672 -5.769 -2.886 1.00 44.01 H new ATOM 1131 N ALA A 80 6.710 -0.236 -7.630 1.00 15.24 N ATOM 1132 CA ALA A 80 5.338 -0.508 -8.025 1.00 4.11 C ATOM 1133 C ALA A 80 5.188 -0.708 -9.542 1.00 15.32 C ATOM 1134 O ALA A 80 4.147 -1.210 -9.973 1.00 0.51 O ATOM 1135 CB ALA A 80 4.420 0.600 -7.498 1.00 74.42 C ATOM 0 H ALA A 80 6.881 0.741 -7.390 1.00 15.24 H new ATOM 0 HA ALA A 80 5.038 -1.454 -7.575 1.00 4.11 H new ATOM 0 HB1 ALA A 80 3.392 0.393 -7.796 1.00 74.42 H new ATOM 0 HB2 ALA A 80 4.482 0.637 -6.410 1.00 74.42 H new ATOM 0 HB3 ALA A 80 4.732 1.559 -7.912 1.00 74.42 H new ATOM 1141 N GLU A 81 6.205 -0.398 -10.353 1.00 64.43 N ATOM 1142 CA GLU A 81 6.307 -0.904 -11.707 1.00 72.12 C ATOM 1143 C GLU A 81 6.709 -2.379 -11.602 1.00 43.53 C ATOM 1144 O GLU A 81 6.047 -3.265 -12.147 1.00 60.01 O ATOM 1145 CB GLU A 81 7.312 -0.041 -12.513 1.00 52.12 C ATOM 1146 CG GLU A 81 7.920 -0.839 -13.670 1.00 71.02 C ATOM 1147 CD GLU A 81 8.882 -0.080 -14.584 1.00 31.44 C ATOM 1148 OE1 GLU A 81 8.418 0.412 -15.640 1.00 15.42 O ATOM 1149 OE2 GLU A 81 10.110 -0.263 -14.455 1.00 35.01 O ATOM 0 H GLU A 81 6.976 0.212 -10.080 1.00 64.43 H new ATOM 0 HA GLU A 81 5.364 -0.840 -12.249 1.00 72.12 H new ATOM 0 HB2 GLU A 81 6.807 0.843 -12.903 1.00 52.12 H new ATOM 0 HB3 GLU A 81 8.105 0.310 -11.853 1.00 52.12 H new ATOM 0 HG2 GLU A 81 8.448 -1.697 -13.254 1.00 71.02 H new ATOM 0 HG3 GLU A 81 7.106 -1.231 -14.280 1.00 71.02 H new ATOM 1154 N ARG A 82 7.842 -2.648 -10.950 1.00 55.41 N ATOM 1155 CA ARG A 82 8.524 -3.923 -11.074 1.00 44.14 C ATOM 1156 C ARG A 82 7.711 -5.055 -10.488 1.00 55.50 C ATOM 1157 O ARG A 82 7.615 -6.095 -11.135 1.00 15.24 O ATOM 1158 CB ARG A 82 9.920 -3.830 -10.445 1.00 61.24 C ATOM 1159 CG ARG A 82 10.694 -5.144 -10.653 1.00 51.40 C ATOM 1160 CD ARG A 82 12.197 -4.967 -10.451 1.00 41.51 C ATOM 1161 NE ARG A 82 12.631 -5.174 -9.059 1.00 64.42 N ATOM 1162 CZ ARG A 82 13.812 -4.802 -8.551 1.00 73.23 C ATOM 1163 NH1 ARG A 82 14.612 -3.974 -9.219 1.00 13.33 N ATOM 1164 NH2 ARG A 82 14.209 -5.314 -7.400 1.00 43.43 N ATOM 0 H ARG A 82 8.305 -1.987 -10.326 1.00 55.41 H new ATOM 0 HA ARG A 82 8.641 -4.151 -12.133 1.00 44.14 H new ATOM 0 HB2 ARG A 82 10.471 -3.002 -10.890 1.00 61.24 H new ATOM 0 HB3 ARG A 82 9.832 -3.618 -9.379 1.00 61.24 H new ATOM 0 HG2 ARG A 82 10.322 -5.897 -9.958 1.00 51.40 H new ATOM 0 HG3 ARG A 82 10.506 -5.519 -11.659 1.00 51.40 H new ATOM 0 HD2 ARG A 82 12.727 -5.667 -11.096 1.00 41.51 H new ATOM 0 HD3 ARG A 82 12.482 -3.964 -10.767 1.00 41.51 H new ATOM 0 HE ARG A 82 11.977 -5.640 -8.430 1.00 64.42 H new ATOM 0 HH11 ARG A 82 14.328 -3.615 -10.130 1.00 13.33 H new ATOM 0 HH12 ARG A 82 15.509 -3.699 -8.820 1.00 13.33 H new ATOM 0 HH21 ARG A 82 13.618 -5.985 -6.909 1.00 43.43 H new ATOM 0 HH22 ARG A 82 15.107 -5.039 -7.002 1.00 43.43 H new ATOM 1175 N ALA A 83 7.119 -4.859 -9.312 1.00 11.15 N ATOM 1176 CA ALA A 83 6.371 -5.915 -8.661 1.00 71.32 C ATOM 1177 C ALA A 83 5.238 -6.366 -9.581 1.00 14.25 C ATOM 1178 O ALA A 83 5.121 -7.551 -9.881 1.00 35.13 O ATOM 1179 CB ALA A 83 5.900 -5.440 -7.279 1.00 60.24 C ATOM 0 H ALA A 83 7.146 -3.979 -8.797 1.00 11.15 H new ATOM 0 HA ALA A 83 6.997 -6.789 -8.483 1.00 71.32 H new ATOM 0 HB1 ALA A 83 5.338 -6.237 -6.792 1.00 60.24 H new ATOM 0 HB2 ALA A 83 6.765 -5.182 -6.669 1.00 60.24 H new ATOM 0 HB3 ALA A 83 5.262 -4.564 -7.393 1.00 60.24 H new ATOM 1185 N ALA A 84 4.493 -5.416 -10.149 1.00 21.01 N ATOM 1186 CA ALA A 84 3.385 -5.713 -11.050 1.00 55.42 C ATOM 1187 C ALA A 84 3.823 -6.320 -12.385 1.00 40.43 C ATOM 1188 O ALA A 84 2.968 -6.768 -13.149 1.00 62.44 O ATOM 1189 CB ALA A 84 2.587 -4.435 -11.311 1.00 20.44 C ATOM 0 H ALA A 84 4.643 -4.419 -9.995 1.00 21.01 H new ATOM 0 HA ALA A 84 2.772 -6.465 -10.553 1.00 55.42 H new ATOM 0 HB1 ALA A 84 1.758 -4.655 -11.984 1.00 20.44 H new ATOM 0 HB2 ALA A 84 2.197 -4.051 -10.369 1.00 20.44 H new ATOM 0 HB3 ALA A 84 3.236 -3.687 -11.767 1.00 20.44 H new ATOM 1195 N ARG A 85 5.120 -6.326 -12.714 1.00 24.21 N ATOM 1196 CA ARG A 85 5.584 -6.846 -14.003 1.00 0.42 C ATOM 1197 C ARG A 85 5.823 -8.353 -13.982 1.00 15.51 C ATOM 1198 O ARG A 85 5.966 -8.964 -15.046 1.00 42.10 O ATOM 1199 CB ARG A 85 6.852 -6.119 -14.452 1.00 2.35 C ATOM 1200 CG ARG A 85 6.592 -5.163 -15.627 1.00 61.44 C ATOM 1201 CD ARG A 85 7.869 -5.176 -16.457 1.00 40.24 C ATOM 1202 NE ARG A 85 7.832 -4.227 -17.585 1.00 22.02 N ATOM 1203 CZ ARG A 85 8.184 -2.939 -17.621 1.00 24.24 C ATOM 1204 NH1 ARG A 85 8.580 -2.310 -16.521 1.00 31.43 N ATOM 1205 NH2 ARG A 85 8.188 -2.294 -18.776 1.00 23.03 N ATOM 0 H ARG A 85 5.863 -5.978 -12.108 1.00 24.21 H new ATOM 0 HA ARG A 85 4.784 -6.658 -14.720 1.00 0.42 H new ATOM 0 HB2 ARG A 85 7.262 -5.557 -13.613 1.00 2.35 H new ATOM 0 HB3 ARG A 85 7.605 -6.852 -14.743 1.00 2.35 H new ATOM 0 HG2 ARG A 85 5.737 -5.492 -16.218 1.00 61.44 H new ATOM 0 HG3 ARG A 85 6.366 -4.158 -15.272 1.00 61.44 H new ATOM 0 HD2 ARG A 85 8.716 -4.935 -15.814 1.00 40.24 H new ATOM 0 HD3 ARG A 85 8.036 -6.182 -16.841 1.00 40.24 H new ATOM 0 HE ARG A 85 7.488 -4.610 -18.466 1.00 22.02 H new ATOM 0 HH11 ARG A 85 8.618 -2.811 -15.633 1.00 31.43 H new ATOM 0 HH12 ARG A 85 8.846 -1.326 -16.564 1.00 31.43 H new ATOM 0 HH21 ARG A 85 7.923 -2.780 -19.633 1.00 23.03 H new ATOM 0 HH22 ARG A 85 8.456 -1.310 -18.810 1.00 23.03 H new ATOM 1216 N ILE A 86 5.919 -8.932 -12.793 1.00 72.12 N ATOM 1217 CA ILE A 86 5.960 -10.380 -12.593 1.00 63.33 C ATOM 1218 C ILE A 86 4.735 -10.861 -11.800 1.00 34.33 C ATOM 1219 O ILE A 86 4.322 -12.004 -11.980 1.00 40.31 O ATOM 1220 CB ILE A 86 7.299 -10.851 -11.972 1.00 54.40 C ATOM 1221 CG1 ILE A 86 8.557 -10.226 -12.617 1.00 2.25 C ATOM 1222 CG2 ILE A 86 7.434 -12.376 -12.155 1.00 23.12 C ATOM 1223 CD1 ILE A 86 8.900 -8.799 -12.176 1.00 75.33 C ATOM 0 H ILE A 86 5.972 -8.402 -11.923 1.00 72.12 H new ATOM 0 HA ILE A 86 5.911 -10.850 -13.575 1.00 63.33 H new ATOM 0 HB ILE A 86 7.258 -10.538 -10.929 1.00 54.40 H new ATOM 0 HG12 ILE A 86 9.410 -10.868 -12.398 1.00 2.25 H new ATOM 0 HG13 ILE A 86 8.426 -10.229 -13.699 1.00 2.25 H new ATOM 0 HG21 ILE A 86 8.375 -12.713 -11.720 1.00 23.12 H new ATOM 0 HG22 ILE A 86 6.604 -12.877 -11.657 1.00 23.12 H new ATOM 0 HG23 ILE A 86 7.419 -12.618 -13.218 1.00 23.12 H new ATOM 0 HD11 ILE A 86 9.800 -8.465 -12.693 1.00 75.33 H new ATOM 0 HD12 ILE A 86 8.072 -8.134 -12.421 1.00 75.33 H new ATOM 0 HD13 ILE A 86 9.072 -8.782 -11.100 1.00 75.33 H new ATOM 1234 N ASP A 87 4.105 -10.003 -10.995 1.00 1.44 N ATOM 1235 CA ASP A 87 2.892 -10.307 -10.238 1.00 40.41 C ATOM 1236 C ASP A 87 1.716 -9.616 -10.931 1.00 22.31 C ATOM 1237 O ASP A 87 1.387 -8.483 -10.576 1.00 44.43 O ATOM 1238 CB ASP A 87 2.980 -9.864 -8.765 1.00 55.14 C ATOM 1239 CG ASP A 87 3.917 -10.690 -7.892 1.00 64.31 C ATOM 1240 OD1 ASP A 87 5.129 -10.770 -8.197 1.00 62.03 O ATOM 1241 OD2 ASP A 87 3.432 -11.218 -6.861 1.00 4.24 O ATOM 0 H ASP A 87 4.436 -9.049 -10.848 1.00 1.44 H new ATOM 0 HA ASP A 87 2.757 -11.388 -10.221 1.00 40.41 H new ATOM 0 HB2 ASP A 87 3.304 -8.824 -8.734 1.00 55.14 H new ATOM 0 HB3 ASP A 87 1.980 -9.900 -8.332 1.00 55.14 H new ATOM 1245 N PRO A 88 1.074 -10.230 -11.944 1.00 23.25 N ATOM 1246 CA PRO A 88 -0.090 -9.623 -12.589 1.00 71.40 C ATOM 1247 C PRO A 88 -1.279 -9.501 -11.624 1.00 11.50 C ATOM 1248 O PRO A 88 -2.245 -8.807 -11.937 1.00 42.45 O ATOM 1249 CB PRO A 88 -0.431 -10.549 -13.758 1.00 60.31 C ATOM 1250 CG PRO A 88 0.005 -11.917 -13.240 1.00 43.53 C ATOM 1251 CD PRO A 88 1.249 -11.600 -12.413 1.00 72.10 C ATOM 0 HA PRO A 88 0.127 -8.607 -12.918 1.00 71.40 H new ATOM 0 HB2 PRO A 88 -1.494 -10.526 -13.996 1.00 60.31 H new ATOM 0 HB3 PRO A 88 0.105 -10.270 -14.665 1.00 60.31 H new ATOM 0 HG2 PRO A 88 -0.772 -12.384 -12.635 1.00 43.53 H new ATOM 0 HG3 PRO A 88 0.229 -12.603 -14.056 1.00 43.53 H new ATOM 0 HD2 PRO A 88 1.349 -12.291 -11.576 1.00 72.10 H new ATOM 0 HD3 PRO A 88 2.153 -11.695 -13.014 1.00 72.10 H new ATOM 1256 N ASP A 89 -1.210 -10.169 -10.470 1.00 23.10 N ATOM 1257 CA ASP A 89 -2.267 -10.279 -9.477 1.00 24.20 C ATOM 1258 C ASP A 89 -1.998 -9.373 -8.271 1.00 64.24 C ATOM 1259 O ASP A 89 -2.700 -9.489 -7.264 1.00 24.00 O ATOM 1260 CB ASP A 89 -2.382 -11.737 -9.006 1.00 75.35 C ATOM 1261 CG ASP A 89 -2.893 -12.708 -10.063 1.00 75.34 C ATOM 1262 OD1 ASP A 89 -3.706 -12.336 -10.933 1.00 4.53 O ATOM 1263 OD2 ASP A 89 -2.478 -13.886 -9.996 1.00 40.41 O ATOM 0 H ASP A 89 -0.367 -10.673 -10.194 1.00 23.10 H new ATOM 0 HA ASP A 89 -3.201 -9.961 -9.941 1.00 24.20 H new ATOM 0 HB2 ASP A 89 -1.402 -12.073 -8.666 1.00 75.35 H new ATOM 0 HB3 ASP A 89 -3.049 -11.775 -8.144 1.00 75.35 H new ATOM 1267 N ILE A 90 -0.980 -8.503 -8.321 1.00 53.33 N ATOM 1268 CA ILE A 90 -0.711 -7.583 -7.222 1.00 40.11 C ATOM 1269 C ILE A 90 -1.716 -6.427 -7.265 1.00 20.32 C ATOM 1270 O ILE A 90 -2.177 -5.999 -8.328 1.00 52.15 O ATOM 1271 CB ILE A 90 0.765 -7.118 -7.252 1.00 40.23 C ATOM 1272 CG1 ILE A 90 1.249 -6.697 -5.848 1.00 60.12 C ATOM 1273 CG2 ILE A 90 1.044 -6.017 -8.290 1.00 52.13 C ATOM 1274 CD1 ILE A 90 2.769 -6.493 -5.767 1.00 12.45 C ATOM 0 H ILE A 90 -0.336 -8.422 -9.108 1.00 53.33 H new ATOM 0 HA ILE A 90 -0.846 -8.089 -6.266 1.00 40.11 H new ATOM 0 HB ILE A 90 1.343 -7.985 -7.572 1.00 40.23 H new ATOM 0 HG12 ILE A 90 0.749 -5.772 -5.561 1.00 60.12 H new ATOM 0 HG13 ILE A 90 0.952 -7.457 -5.125 1.00 60.12 H new ATOM 0 HG21 ILE A 90 2.098 -5.741 -8.254 1.00 52.13 H new ATOM 0 HG22 ILE A 90 0.799 -6.386 -9.286 1.00 52.13 H new ATOM 0 HG23 ILE A 90 0.433 -5.143 -8.066 1.00 52.13 H new ATOM 0 HD11 ILE A 90 3.043 -6.198 -4.754 1.00 12.45 H new ATOM 0 HD12 ILE A 90 3.275 -7.424 -6.024 1.00 12.45 H new ATOM 0 HD13 ILE A 90 3.069 -5.712 -6.466 1.00 12.45 H new ATOM 1285 N TRP A 91 -2.009 -5.876 -6.097 1.00 13.12 N ATOM 1286 CA TRP A 91 -2.757 -4.644 -5.931 1.00 73.35 C ATOM 1287 C TRP A 91 -1.761 -3.543 -5.614 1.00 42.43 C ATOM 1288 O TRP A 91 -0.802 -3.751 -4.873 1.00 24.13 O ATOM 1289 CB TRP A 91 -3.760 -4.823 -4.791 1.00 72.43 C ATOM 1290 CG TRP A 91 -4.846 -5.813 -5.071 1.00 42.23 C ATOM 1291 CD1 TRP A 91 -4.705 -7.155 -5.099 1.00 44.11 C ATOM 1292 CD2 TRP A 91 -6.241 -5.561 -5.396 1.00 40.14 C ATOM 1293 NE1 TRP A 91 -5.918 -7.742 -5.399 1.00 34.34 N ATOM 1294 CE2 TRP A 91 -6.894 -6.802 -5.636 1.00 74.05 C ATOM 1295 CE3 TRP A 91 -7.014 -4.396 -5.525 1.00 31.34 C ATOM 1296 CZ2 TRP A 91 -8.237 -6.873 -6.027 1.00 43.55 C ATOM 1297 CZ3 TRP A 91 -8.374 -4.450 -5.879 1.00 63.34 C ATOM 1298 CH2 TRP A 91 -8.982 -5.689 -6.135 1.00 71.12 C ATOM 0 H TRP A 91 -1.722 -6.290 -5.210 1.00 13.12 H new ATOM 0 HA TRP A 91 -3.311 -4.385 -6.833 1.00 73.35 H new ATOM 0 HB2 TRP A 91 -3.222 -5.136 -3.896 1.00 72.43 H new ATOM 0 HB3 TRP A 91 -4.214 -3.857 -4.568 1.00 72.43 H new ATOM 0 HD1 TRP A 91 -3.784 -7.688 -4.915 1.00 44.11 H new ATOM 0 HE1 TRP A 91 -6.072 -8.750 -5.440 1.00 34.34 H new ATOM 0 HE3 TRP A 91 -6.553 -3.435 -5.348 1.00 31.34 H new ATOM 0 HZ2 TRP A 91 -8.694 -7.828 -6.243 1.00 43.55 H new ATOM 0 HZ3 TRP A 91 -8.950 -3.539 -5.954 1.00 63.34 H new ATOM 0 HH2 TRP A 91 -10.024 -5.731 -6.415 1.00 71.12 H new ATOM 1308 N VAL A 92 -2.014 -2.354 -6.144 1.00 3.33 N ATOM 1309 CA VAL A 92 -1.240 -1.161 -5.877 1.00 32.42 C ATOM 1310 C VAL A 92 -2.261 -0.182 -5.336 1.00 3.22 C ATOM 1311 O VAL A 92 -3.113 0.293 -6.085 1.00 61.14 O ATOM 1312 CB VAL A 92 -0.553 -0.653 -7.159 1.00 44.23 C ATOM 1313 CG1 VAL A 92 0.287 0.605 -6.884 1.00 44.54 C ATOM 1314 CG2 VAL A 92 0.357 -1.708 -7.804 1.00 35.21 C ATOM 0 H VAL A 92 -2.787 -2.194 -6.790 1.00 3.33 H new ATOM 0 HA VAL A 92 -0.424 -1.323 -5.172 1.00 32.42 H new ATOM 0 HB VAL A 92 -1.363 -0.421 -7.850 1.00 44.23 H new ATOM 0 HG11 VAL A 92 0.758 0.937 -7.809 1.00 44.54 H new ATOM 0 HG12 VAL A 92 -0.357 1.396 -6.500 1.00 44.54 H new ATOM 0 HG13 VAL A 92 1.057 0.375 -6.147 1.00 44.54 H new ATOM 0 HG21 VAL A 92 0.814 -1.294 -8.703 1.00 35.21 H new ATOM 0 HG22 VAL A 92 1.138 -1.995 -7.099 1.00 35.21 H new ATOM 0 HG23 VAL A 92 -0.233 -2.585 -8.068 1.00 35.21 H new ATOM 1324 N VAL A 93 -2.234 0.063 -4.038 1.00 23.12 N ATOM 1325 CA VAL A 93 -2.969 1.153 -3.437 1.00 0.34 C ATOM 1326 C VAL A 93 -2.034 2.358 -3.435 1.00 23.41 C ATOM 1327 O VAL A 93 -0.832 2.212 -3.175 1.00 15.01 O ATOM 1328 CB VAL A 93 -3.395 0.747 -2.022 1.00 63.05 C ATOM 1329 CG1 VAL A 93 -4.148 1.893 -1.342 1.00 71.55 C ATOM 1330 CG2 VAL A 93 -4.262 -0.523 -2.047 1.00 21.44 C ATOM 0 H VAL A 93 -1.698 -0.493 -3.371 1.00 23.12 H new ATOM 0 HA VAL A 93 -3.878 1.400 -3.985 1.00 0.34 H new ATOM 0 HB VAL A 93 -2.494 0.529 -1.448 1.00 63.05 H new ATOM 0 HG11 VAL A 93 -4.444 1.589 -0.338 1.00 71.55 H new ATOM 0 HG12 VAL A 93 -3.501 2.768 -1.280 1.00 71.55 H new ATOM 0 HG13 VAL A 93 -5.037 2.140 -1.923 1.00 71.55 H new ATOM 0 HG21 VAL A 93 -4.549 -0.787 -1.029 1.00 21.44 H new ATOM 0 HG22 VAL A 93 -5.157 -0.341 -2.641 1.00 21.44 H new ATOM 0 HG23 VAL A 93 -3.694 -1.342 -2.488 1.00 21.44 H new ATOM 1340 N GLU A 94 -2.595 3.536 -3.679 1.00 35.44 N ATOM 1341 CA GLU A 94 -1.911 4.810 -3.575 1.00 63.13 C ATOM 1342 C GLU A 94 -2.717 5.716 -2.659 1.00 53.31 C ATOM 1343 O GLU A 94 -3.946 5.754 -2.767 1.00 52.21 O ATOM 1344 CB GLU A 94 -1.753 5.415 -4.974 1.00 54.11 C ATOM 1345 CG GLU A 94 -0.810 4.572 -5.844 1.00 40.14 C ATOM 1346 CD GLU A 94 -0.149 5.432 -6.912 1.00 32.12 C ATOM 1347 OE1 GLU A 94 0.923 6.006 -6.608 1.00 21.24 O ATOM 1348 OE2 GLU A 94 -0.695 5.567 -8.032 1.00 72.42 O ATOM 0 H GLU A 94 -3.570 3.629 -3.964 1.00 35.44 H new ATOM 0 HA GLU A 94 -0.914 4.686 -3.152 1.00 63.13 H new ATOM 0 HB2 GLU A 94 -2.729 5.485 -5.454 1.00 54.11 H new ATOM 0 HB3 GLU A 94 -1.365 6.430 -4.892 1.00 54.11 H new ATOM 0 HG2 GLU A 94 -0.046 4.110 -5.218 1.00 40.14 H new ATOM 0 HG3 GLU A 94 -1.368 3.763 -6.316 1.00 40.14 H new ATOM 1353 N ILE A 95 -2.024 6.407 -1.748 1.00 0.03 N ATOM 1354 CA ILE A 95 -2.582 7.330 -0.769 1.00 64.32 C ATOM 1355 C ILE A 95 -1.737 8.609 -0.855 1.00 32.11 C ATOM 1356 O ILE A 95 -0.509 8.549 -0.751 1.00 12.30 O ATOM 1357 CB ILE A 95 -2.505 6.747 0.672 1.00 11.00 C ATOM 1358 CG1 ILE A 95 -2.871 5.254 0.853 1.00 75.51 C ATOM 1359 CG2 ILE A 95 -3.323 7.614 1.649 1.00 73.55 C ATOM 1360 CD1 ILE A 95 -4.315 4.868 0.527 1.00 73.41 C ATOM 0 H ILE A 95 -1.010 6.330 -1.674 1.00 0.03 H new ATOM 0 HA ILE A 95 -3.635 7.518 -0.981 1.00 64.32 H new ATOM 0 HB ILE A 95 -1.440 6.783 0.900 1.00 11.00 H new ATOM 0 HG12 ILE A 95 -2.207 4.660 0.225 1.00 75.51 H new ATOM 0 HG13 ILE A 95 -2.667 4.974 1.886 1.00 75.51 H new ATOM 0 HG21 ILE A 95 -3.258 7.192 2.652 1.00 73.55 H new ATOM 0 HG22 ILE A 95 -2.925 8.629 1.656 1.00 73.55 H new ATOM 0 HG23 ILE A 95 -4.365 7.635 1.331 1.00 73.55 H new ATOM 0 HD11 ILE A 95 -4.452 3.799 0.691 1.00 73.41 H new ATOM 0 HD12 ILE A 95 -4.995 5.424 1.172 1.00 73.41 H new ATOM 0 HD13 ILE A 95 -4.529 5.105 -0.515 1.00 73.41 H new ATOM 1371 N GLU A 96 -2.369 9.769 -1.008 1.00 74.22 N ATOM 1372 CA GLU A 96 -1.712 11.065 -1.093 1.00 14.34 C ATOM 1373 C GLU A 96 -2.357 11.975 -0.057 1.00 64.41 C ATOM 1374 O GLU A 96 -3.484 12.453 -0.242 1.00 72.55 O ATOM 1375 CB GLU A 96 -1.871 11.655 -2.492 1.00 62.51 C ATOM 1376 CG GLU A 96 -1.125 10.888 -3.583 1.00 11.11 C ATOM 1377 CD GLU A 96 -1.600 11.400 -4.939 1.00 51.42 C ATOM 1378 OE1 GLU A 96 -1.346 12.589 -5.245 1.00 33.31 O ATOM 1379 OE2 GLU A 96 -2.339 10.665 -5.631 1.00 33.01 O ATOM 0 H GLU A 96 -3.385 9.832 -1.078 1.00 74.22 H new ATOM 0 HA GLU A 96 -0.644 10.963 -0.899 1.00 14.34 H new ATOM 0 HB2 GLU A 96 -2.931 11.684 -2.744 1.00 62.51 H new ATOM 0 HB3 GLU A 96 -1.518 12.686 -2.482 1.00 62.51 H new ATOM 0 HG2 GLU A 96 -0.049 11.030 -3.479 1.00 11.11 H new ATOM 0 HG3 GLU A 96 -1.315 9.819 -3.493 1.00 11.11 H new ATOM 1384 N ASP A 97 -1.656 12.179 1.055 1.00 72.21 N ATOM 1385 CA ASP A 97 -2.160 12.931 2.207 1.00 62.34 C ATOM 1386 C ASP A 97 -1.111 13.922 2.672 1.00 44.24 C ATOM 1387 O ASP A 97 0.078 13.631 2.643 1.00 43.05 O ATOM 1388 CB ASP A 97 -2.528 12.003 3.367 1.00 63.42 C ATOM 1389 CG ASP A 97 -2.917 12.860 4.572 1.00 33.23 C ATOM 1390 OD1 ASP A 97 -4.069 13.355 4.611 1.00 23.23 O ATOM 1391 OD2 ASP A 97 -2.047 13.157 5.412 1.00 3.04 O ATOM 0 H ASP A 97 -0.709 11.823 1.186 1.00 72.21 H new ATOM 0 HA ASP A 97 -3.060 13.458 1.892 1.00 62.34 H new ATOM 0 HB2 ASP A 97 -3.355 11.352 3.083 1.00 63.42 H new ATOM 0 HB3 ASP A 97 -1.686 11.358 3.617 1.00 63.42 H new ATOM 1395 N ARG A 98 -1.539 15.105 3.105 1.00 20.50 N ATOM 1396 CA ARG A 98 -0.647 16.206 3.449 1.00 43.33 C ATOM 1397 C ARG A 98 0.317 15.847 4.565 1.00 12.02 C ATOM 1398 O ARG A 98 1.501 16.137 4.454 1.00 55.21 O ATOM 1399 CB ARG A 98 -1.473 17.436 3.826 1.00 15.31 C ATOM 1400 CG ARG A 98 -2.533 17.791 2.778 1.00 3.40 C ATOM 1401 CD ARG A 98 -2.950 19.252 2.917 1.00 4.00 C ATOM 1402 NE ARG A 98 -2.212 20.117 1.987 1.00 64.22 N ATOM 1403 CZ ARG A 98 -2.645 21.306 1.571 1.00 34.43 C ATOM 1404 NH1 ARG A 98 -3.654 21.923 2.174 1.00 41.02 N ATOM 1405 NH2 ARG A 98 -2.043 21.864 0.532 1.00 3.22 N ATOM 0 H ARG A 98 -2.527 15.327 3.228 1.00 20.50 H new ATOM 0 HA ARG A 98 -0.039 16.426 2.572 1.00 43.33 H new ATOM 0 HB2 ARG A 98 -1.962 17.258 4.784 1.00 15.31 H new ATOM 0 HB3 ARG A 98 -0.806 18.287 3.962 1.00 15.31 H new ATOM 0 HG2 ARG A 98 -2.139 17.612 1.778 1.00 3.40 H new ATOM 0 HG3 ARG A 98 -3.403 17.145 2.898 1.00 3.40 H new ATOM 0 HD2 ARG A 98 -4.020 19.345 2.730 1.00 4.00 H new ATOM 0 HD3 ARG A 98 -2.776 19.585 3.940 1.00 4.00 H new ATOM 0 HE ARG A 98 -1.312 19.787 1.638 1.00 64.22 H new ATOM 0 HH11 ARG A 98 -4.114 21.487 2.973 1.00 41.02 H new ATOM 0 HH12 ARG A 98 -3.969 22.833 1.838 1.00 41.02 H new ATOM 0 HH21 ARG A 98 -1.269 21.384 0.072 1.00 3.22 H new ATOM 0 HH22 ARG A 98 -2.353 22.774 0.191 1.00 3.22 H new ATOM 1416 N ASP A 99 -0.186 15.297 5.657 1.00 35.31 N ATOM 1417 CA ASP A 99 0.548 15.170 6.910 1.00 31.24 C ATOM 1418 C ASP A 99 1.446 13.934 6.935 1.00 21.31 C ATOM 1419 O ASP A 99 2.263 13.797 7.847 1.00 42.42 O ATOM 1420 CB ASP A 99 -0.425 15.191 8.097 1.00 53.02 C ATOM 1421 CG ASP A 99 0.138 16.001 9.269 1.00 71.55 C ATOM 1422 OD1 ASP A 99 -0.051 17.238 9.246 1.00 20.40 O ATOM 1423 OD2 ASP A 99 0.732 15.428 10.219 1.00 20.42 O ATOM 0 H ASP A 99 -1.132 14.919 5.701 1.00 35.31 H new ATOM 0 HA ASP A 99 1.214 16.028 6.995 1.00 31.24 H new ATOM 0 HB2 ASP A 99 -1.377 15.619 7.781 1.00 53.02 H new ATOM 0 HB3 ASP A 99 -0.626 14.170 8.422 1.00 53.02 H new ATOM 1427 N GLY A 100 1.340 13.060 5.932 1.00 13.44 N ATOM 1428 CA GLY A 100 2.002 11.766 5.917 1.00 32.34 C ATOM 1429 C GLY A 100 1.113 10.756 6.626 1.00 31.54 C ATOM 1430 O GLY A 100 1.425 10.294 7.727 1.00 24.33 O ATOM 0 H GLY A 100 0.782 13.240 5.097 1.00 13.44 H new ATOM 0 HA2 GLY A 100 2.190 11.449 4.891 1.00 32.34 H new ATOM 0 HA3 GLY A 100 2.970 11.831 6.413 1.00 32.34 H new ATOM 1434 N ARG A 101 -0.042 10.464 6.026 1.00 31.13 N ATOM 1435 CA ARG A 101 -0.926 9.380 6.425 1.00 0.41 C ATOM 1436 C ARG A 101 -0.918 8.264 5.416 1.00 41.34 C ATOM 1437 O ARG A 101 -0.554 8.434 4.252 1.00 64.34 O ATOM 1438 CB ARG A 101 -2.362 9.883 6.555 1.00 15.23 C ATOM 1439 CG ARG A 101 -2.532 10.876 7.695 1.00 43.45 C ATOM 1440 CD ARG A 101 -4.030 11.130 7.833 1.00 13.10 C ATOM 1441 NE ARG A 101 -4.310 11.941 9.021 1.00 51.05 N ATOM 1442 CZ ARG A 101 -4.739 11.472 10.195 1.00 33.32 C ATOM 1443 NH1 ARG A 101 -5.212 10.234 10.299 1.00 63.52 N ATOM 1444 NH2 ARG A 101 -4.662 12.259 11.256 1.00 55.44 N ATOM 0 H ARG A 101 -0.393 10.993 5.228 1.00 31.13 H new ATOM 0 HA ARG A 101 -0.561 9.009 7.383 1.00 0.41 H new ATOM 0 HB2 ARG A 101 -2.664 10.354 5.620 1.00 15.23 H new ATOM 0 HB3 ARG A 101 -3.027 9.035 6.715 1.00 15.23 H new ATOM 0 HG2 ARG A 101 -2.120 10.476 8.622 1.00 43.45 H new ATOM 0 HG3 ARG A 101 -2.000 11.803 7.483 1.00 43.45 H new ATOM 0 HD2 ARG A 101 -4.401 11.639 6.943 1.00 13.10 H new ATOM 0 HD3 ARG A 101 -4.560 10.180 7.902 1.00 13.10 H new ATOM 0 HE ARG A 101 -4.165 12.948 8.945 1.00 51.05 H new ATOM 0 HH11 ARG A 101 -5.250 9.632 9.477 1.00 63.52 H new ATOM 0 HH12 ARG A 101 -5.537 9.886 11.201 1.00 63.52 H new ATOM 0 HH21 ARG A 101 -4.281 13.201 11.166 1.00 55.44 H new ATOM 0 HH22 ARG A 101 -4.983 11.924 12.164 1.00 55.44 H new ATOM 1455 N HIS A 102 -1.378 7.118 5.895 1.00 61.31 N ATOM 1456 CA HIS A 102 -1.351 5.861 5.176 1.00 40.24 C ATOM 1457 C HIS A 102 -2.662 5.098 5.437 1.00 14.21 C ATOM 1458 O HIS A 102 -3.026 4.230 4.656 1.00 41.33 O ATOM 1459 CB HIS A 102 -0.122 5.049 5.637 1.00 11.44 C ATOM 1460 CG HIS A 102 1.030 5.835 6.231 1.00 13.13 C ATOM 1461 ND1 HIS A 102 1.413 5.794 7.550 1.00 52.43 N ATOM 1462 CD2 HIS A 102 1.822 6.764 5.602 1.00 61.31 C ATOM 1463 CE1 HIS A 102 2.409 6.677 7.718 1.00 43.14 C ATOM 1464 NE2 HIS A 102 2.687 7.297 6.559 1.00 72.14 N ATOM 0 H HIS A 102 -1.792 7.039 6.824 1.00 61.31 H new ATOM 0 HA HIS A 102 -1.269 6.032 4.103 1.00 40.24 H new ATOM 0 HB2 HIS A 102 -0.454 4.320 6.377 1.00 11.44 H new ATOM 0 HB3 HIS A 102 0.255 4.487 4.782 1.00 11.44 H new ATOM 0 HD2 HIS A 102 1.783 7.033 4.557 1.00 61.31 H new ATOM 0 HE1 HIS A 102 2.916 6.863 8.653 1.00 43.14 H new ATOM 0 HE2 HIS A 102 3.393 8.017 6.408 1.00 72.14 H new ATOM 1471 N PHE A 103 -3.403 5.457 6.502 1.00 4.42 N ATOM 1472 CA PHE A 103 -4.732 4.979 6.890 1.00 32.54 C ATOM 1473 C PHE A 103 -4.840 3.464 7.149 1.00 21.32 C ATOM 1474 O PHE A 103 -5.953 2.934 7.243 1.00 0.04 O ATOM 1475 CB PHE A 103 -5.796 5.567 5.942 1.00 11.11 C ATOM 1476 CG PHE A 103 -6.177 7.000 6.279 1.00 3.33 C ATOM 1477 CD1 PHE A 103 -7.097 7.243 7.320 1.00 62.51 C ATOM 1478 CD2 PHE A 103 -5.630 8.093 5.573 1.00 60.55 C ATOM 1479 CE1 PHE A 103 -7.490 8.557 7.631 1.00 4.11 C ATOM 1480 CE2 PHE A 103 -6.056 9.399 5.859 1.00 32.51 C ATOM 1481 CZ PHE A 103 -6.984 9.633 6.887 1.00 12.11 C ATOM 0 H PHE A 103 -3.052 6.148 7.166 1.00 4.42 H new ATOM 0 HA PHE A 103 -4.938 5.365 7.888 1.00 32.54 H new ATOM 0 HB2 PHE A 103 -5.422 5.529 4.919 1.00 11.11 H new ATOM 0 HB3 PHE A 103 -6.689 4.943 5.978 1.00 11.11 H new ATOM 0 HD1 PHE A 103 -7.502 6.415 7.882 1.00 62.51 H new ATOM 0 HD2 PHE A 103 -4.883 7.924 4.812 1.00 60.55 H new ATOM 0 HE1 PHE A 103 -8.180 8.737 8.442 1.00 4.11 H new ATOM 0 HE2 PHE A 103 -5.668 10.228 5.286 1.00 32.51 H new ATOM 0 HZ PHE A 103 -7.308 10.640 7.104 1.00 12.11 H new ATOM 1490 N LEU A 104 -3.709 2.762 7.317 1.00 20.11 N ATOM 1491 CA LEU A 104 -3.663 1.311 7.492 1.00 55.12 C ATOM 1492 C LEU A 104 -4.130 0.900 8.890 1.00 14.03 C ATOM 1493 O LEU A 104 -4.286 1.742 9.776 1.00 3.40 O ATOM 1494 CB LEU A 104 -2.232 0.805 7.202 1.00 1.14 C ATOM 1495 CG LEU A 104 -1.797 1.053 5.742 1.00 42.24 C ATOM 1496 CD1 LEU A 104 -0.297 0.826 5.555 1.00 52.13 C ATOM 1497 CD2 LEU A 104 -2.588 0.175 4.773 1.00 1.40 C ATOM 0 H LEU A 104 -2.787 3.199 7.335 1.00 20.11 H new ATOM 0 HA LEU A 104 -4.351 0.848 6.784 1.00 55.12 H new ATOM 0 HB2 LEU A 104 -1.532 1.301 7.875 1.00 1.14 H new ATOM 0 HB3 LEU A 104 -2.178 -0.262 7.417 1.00 1.14 H new ATOM 0 HG LEU A 104 -2.012 2.098 5.518 1.00 42.24 H new ATOM 0 HD11 LEU A 104 -0.028 1.010 4.515 1.00 52.13 H new ATOM 0 HD12 LEU A 104 0.257 1.508 6.199 1.00 52.13 H new ATOM 0 HD13 LEU A 104 -0.049 -0.203 5.817 1.00 52.13 H new ATOM 0 HD21 LEU A 104 -2.259 0.372 3.753 1.00 1.40 H new ATOM 0 HD22 LEU A 104 -2.419 -0.875 5.012 1.00 1.40 H new ATOM 0 HD23 LEU A 104 -3.651 0.401 4.862 1.00 1.40 H new ATOM 1508 N THR A 105 -4.334 -0.402 9.096 1.00 53.13 N ATOM 1509 CA THR A 105 -4.873 -0.964 10.337 1.00 0.31 C ATOM 1510 C THR A 105 -3.954 -2.053 10.912 1.00 52.34 C ATOM 1511 O THR A 105 -4.292 -2.657 11.928 1.00 24.24 O ATOM 1512 CB THR A 105 -6.332 -1.419 10.083 1.00 63.15 C ATOM 1513 OG1 THR A 105 -6.939 -1.916 11.263 1.00 74.55 O ATOM 1514 CG2 THR A 105 -6.500 -2.488 8.998 1.00 13.44 C ATOM 0 H THR A 105 -4.125 -1.110 8.392 1.00 53.13 H new ATOM 0 HA THR A 105 -4.903 -0.205 11.118 1.00 0.31 H new ATOM 0 HB THR A 105 -6.819 -0.508 9.735 1.00 63.15 H new ATOM 0 HG1 THR A 105 -6.245 -2.226 11.882 1.00 74.55 H new ATOM 0 HG21 THR A 105 -7.556 -2.739 8.895 1.00 13.44 H new ATOM 0 HG22 THR A 105 -6.124 -2.106 8.049 1.00 13.44 H new ATOM 0 HG23 THR A 105 -5.940 -3.381 9.277 1.00 13.44 H new ATOM 1522 N GLU A 106 -2.796 -2.299 10.306 1.00 13.44 N ATOM 1523 CA GLU A 106 -2.012 -3.520 10.472 1.00 35.34 C ATOM 1524 C GLU A 106 -0.607 -3.188 10.984 1.00 20.52 C ATOM 1525 O GLU A 106 -0.217 -2.015 10.968 1.00 72.33 O ATOM 1526 CB GLU A 106 -1.949 -4.226 9.111 1.00 1.44 C ATOM 1527 CG GLU A 106 -3.294 -4.776 8.636 1.00 34.12 C ATOM 1528 CD GLU A 106 -3.812 -5.941 9.476 1.00 15.34 C ATOM 1529 OE1 GLU A 106 -4.321 -5.700 10.596 1.00 20.10 O ATOM 1530 OE2 GLU A 106 -3.753 -7.075 8.951 1.00 53.44 O ATOM 0 H GLU A 106 -2.363 -1.633 9.666 1.00 13.44 H new ATOM 0 HA GLU A 106 -2.478 -4.175 11.208 1.00 35.34 H new ATOM 0 HB2 GLU A 106 -1.571 -3.526 8.366 1.00 1.44 H new ATOM 0 HB3 GLU A 106 -1.233 -5.046 9.171 1.00 1.44 H new ATOM 0 HG2 GLU A 106 -4.031 -3.973 8.651 1.00 34.12 H new ATOM 0 HG3 GLU A 106 -3.198 -5.101 7.600 1.00 34.12 H new ATOM 1535 N PRO A 107 0.154 -4.181 11.469 1.00 62.13 N ATOM 1536 CA PRO A 107 1.544 -3.987 11.859 1.00 62.55 C ATOM 1537 C PRO A 107 2.399 -3.487 10.688 1.00 14.00 C ATOM 1538 O PRO A 107 2.269 -4.002 9.573 1.00 55.44 O ATOM 1539 CB PRO A 107 2.024 -5.348 12.368 1.00 60.53 C ATOM 1540 CG PRO A 107 1.052 -6.340 11.740 1.00 44.11 C ATOM 1541 CD PRO A 107 -0.249 -5.559 11.721 1.00 2.33 C ATOM 0 HA PRO A 107 1.635 -3.220 12.628 1.00 62.55 H new ATOM 0 HB2 PRO A 107 3.051 -5.548 12.064 1.00 60.53 H new ATOM 0 HB3 PRO A 107 1.999 -5.399 13.457 1.00 60.53 H new ATOM 0 HG2 PRO A 107 1.363 -6.634 10.738 1.00 44.11 H new ATOM 0 HG3 PRO A 107 0.968 -7.254 12.328 1.00 44.11 H new ATOM 0 HD2 PRO A 107 -0.920 -5.925 10.943 1.00 2.33 H new ATOM 0 HD3 PRO A 107 -0.780 -5.650 12.669 1.00 2.33 H new ATOM 1546 N VAL A 108 3.280 -2.512 10.929 1.00 73.53 N ATOM 1547 CA VAL A 108 4.126 -1.912 9.906 1.00 23.50 C ATOM 1548 C VAL A 108 5.552 -1.673 10.418 1.00 4.02 C ATOM 1549 O VAL A 108 5.761 -1.375 11.597 1.00 40.12 O ATOM 1550 CB VAL A 108 3.401 -0.677 9.321 1.00 44.15 C ATOM 1551 CG1 VAL A 108 2.903 0.387 10.303 1.00 32.30 C ATOM 1552 CG2 VAL A 108 4.214 0.019 8.225 1.00 55.05 C ATOM 0 H VAL A 108 3.424 -2.114 11.857 1.00 73.53 H new ATOM 0 HA VAL A 108 4.278 -2.599 9.073 1.00 23.50 H new ATOM 0 HB VAL A 108 2.503 -1.144 8.916 1.00 44.15 H new ATOM 0 HG11 VAL A 108 2.416 1.192 9.752 1.00 32.30 H new ATOM 0 HG12 VAL A 108 2.190 -0.062 10.995 1.00 32.30 H new ATOM 0 HG13 VAL A 108 3.747 0.790 10.862 1.00 32.30 H new ATOM 0 HG21 VAL A 108 3.658 0.878 7.850 1.00 55.05 H new ATOM 0 HG22 VAL A 108 5.167 0.354 8.636 1.00 55.05 H new ATOM 0 HG23 VAL A 108 4.397 -0.679 7.408 1.00 55.05 H new ATOM 1562 N GLU A 109 6.539 -1.842 9.533 1.00 71.35 N ATOM 1563 CA GLU A 109 7.966 -1.683 9.804 1.00 24.44 C ATOM 1564 C GLU A 109 8.505 -0.311 9.375 1.00 13.33 C ATOM 1565 O GLU A 109 7.839 0.495 8.709 1.00 23.12 O ATOM 1566 CB GLU A 109 8.730 -2.793 9.048 1.00 20.12 C ATOM 1567 CG GLU A 109 9.076 -4.015 9.900 1.00 24.21 C ATOM 1568 CD GLU A 109 10.226 -3.756 10.882 1.00 14.43 C ATOM 1569 OE1 GLU A 109 10.420 -2.599 11.325 1.00 14.02 O ATOM 1570 OE2 GLU A 109 10.978 -4.709 11.184 1.00 40.23 O ATOM 0 H GLU A 109 6.354 -2.105 8.565 1.00 71.35 H new ATOM 0 HA GLU A 109 8.114 -1.758 10.881 1.00 24.44 H new ATOM 0 HB2 GLU A 109 8.129 -3.116 8.198 1.00 20.12 H new ATOM 0 HB3 GLU A 109 9.652 -2.373 8.645 1.00 20.12 H new ATOM 0 HG2 GLU A 109 8.192 -4.324 10.458 1.00 24.21 H new ATOM 0 HG3 GLU A 109 9.345 -4.843 9.245 1.00 24.21 H new ATOM 1575 N SER A 110 9.771 -0.079 9.716 1.00 62.51 N ATOM 1576 CA SER A 110 10.628 0.931 9.101 1.00 3.15 C ATOM 1577 C SER A 110 11.518 0.243 8.082 1.00 54.42 C ATOM 1578 O SER A 110 11.974 -0.889 8.365 1.00 21.32 O ATOM 1579 CB SER A 110 11.469 1.669 10.146 1.00 12.34 C ATOM 1580 OG SER A 110 10.731 1.895 11.334 1.00 11.03 O ATOM 0 H SER A 110 10.243 -0.606 10.451 1.00 62.51 H new ATOM 0 HA SER A 110 10.007 1.681 8.612 1.00 3.15 H new ATOM 0 HB2 SER A 110 12.362 1.087 10.375 1.00 12.34 H new ATOM 0 HB3 SER A 110 11.806 2.622 9.738 1.00 12.34 H new ATOM 0 HG SER A 110 11.293 2.366 11.984 1.00 11.03 H new TER 1585 SER A 110