USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 680 hydrogens (1 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 33 LYS NZ :NH3+ -119:sc= 0.864 (180deg=-1.95!) USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= 0.933 USER MOD Set 3.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 36 THR OG1 : rot 170:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= -0.0342 (180deg=-1) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0872 K(o=-0.087,f=-2.3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 17 THR OG1 : rot 55:sc= 0.00876 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 54:sc= 0.535 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= -0.965 (180deg=-2.22!) USER MOD Single : A 30 GLN : amide:sc= -0.613 X(o=-0.61,f=-0.62) USER MOD Single : A 43 GLN :FLIP amide:sc= -8.12! C(o=-9.1!,f=-8.1!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.071) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.35 K(o=-2.4,f=-3.4!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0359 X(o=-0.036,f=0) USER MOD Single : A 70 THR OG1 : rot 103:sc= -1.68! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -160:sc= -0.0437 (180deg=-0.381) USER MOD Single : A 74 MET CE :methyl -173:sc= -2.91 (180deg=-3.34) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -75:sc= 0.618 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.489 -0.702 -1.030 1.00 1.25 N ATOM 2 CA MET A 1 4.226 -0.548 -2.279 1.00 30.34 C ATOM 3 C MET A 1 4.895 0.821 -2.350 1.00 61.43 C ATOM 4 O MET A 1 4.833 1.603 -1.402 1.00 74.32 O ATOM 5 CB MET A 1 3.290 -0.735 -3.474 1.00 52.41 C ATOM 6 CG MET A 1 2.602 -2.090 -3.502 1.00 50.11 C ATOM 7 SD MET A 1 1.071 -2.072 -4.454 1.00 33.22 S ATOM 8 CE MET A 1 1.100 -3.712 -5.173 1.00 31.54 C ATOM 0 H1 MET A 1 3.790 -1.577 -0.555 1.00 1.25 H new ATOM 0 H2 MET A 1 3.680 0.112 -0.411 1.00 1.25 H new ATOM 0 H3 MET A 1 2.470 -0.751 -1.232 1.00 1.25 H new ATOM 0 HA MET A 1 5.002 -1.313 -2.312 1.00 30.34 H new ATOM 0 HB2 MET A 1 2.532 0.048 -3.457 1.00 52.41 H new ATOM 0 HB3 MET A 1 3.860 -0.607 -4.394 1.00 52.41 H new ATOM 0 HG2 MET A 1 3.281 -2.829 -3.927 1.00 50.11 H new ATOM 0 HG3 MET A 1 2.387 -2.405 -2.481 1.00 50.11 H new ATOM 0 HE1 MET A 1 0.214 -3.854 -5.792 1.00 31.54 H new ATOM 0 HE2 MET A 1 1.994 -3.824 -5.787 1.00 31.54 H new ATOM 0 HE3 MET A 1 1.110 -4.458 -4.378 1.00 31.54 H new ATOM 18 N ALA A 2 5.535 1.103 -3.480 1.00 50.13 N ATOM 19 CA ALA A 2 6.214 2.378 -3.676 1.00 11.14 C ATOM 20 C ALA A 2 5.249 3.441 -4.190 1.00 72.20 C ATOM 21 O ALA A 2 4.266 3.128 -4.864 1.00 23.01 O ATOM 22 CB ALA A 2 7.381 2.213 -4.637 1.00 63.42 C ATOM 0 H ALA A 2 5.597 0.466 -4.274 1.00 50.13 H new ATOM 0 HA ALA A 2 6.597 2.709 -2.711 1.00 11.14 H new ATOM 0 HB1 ALA A 2 7.878 3.173 -4.774 1.00 63.42 H new ATOM 0 HB2 ALA A 2 8.089 1.492 -4.229 1.00 63.42 H new ATOM 0 HB3 ALA A 2 7.013 1.855 -5.598 1.00 63.42 H new ATOM 28 N LEU A 3 5.534 4.698 -3.868 1.00 70.32 N ATOM 29 CA LEU A 3 4.690 5.808 -4.298 1.00 24.34 C ATOM 30 C LEU A 3 5.409 6.670 -5.330 1.00 71.14 C ATOM 31 O LEU A 3 6.360 7.388 -5.022 1.00 65.21 O ATOM 32 CB LEU A 3 4.287 6.662 -3.095 1.00 11.42 C ATOM 33 CG LEU A 3 2.798 6.668 -2.745 1.00 5.43 C ATOM 34 CD1 LEU A 3 2.559 7.423 -1.446 1.00 74.12 C ATOM 35 CD2 LEU A 3 1.987 7.280 -3.877 1.00 53.30 C ATOM 0 H LEU A 3 6.343 4.974 -3.311 1.00 70.32 H new ATOM 0 HA LEU A 3 3.793 5.394 -4.759 1.00 24.34 H new ATOM 0 HB2 LEU A 3 4.843 6.313 -2.225 1.00 11.42 H new ATOM 0 HB3 LEU A 3 4.600 7.689 -3.283 1.00 11.42 H new ATOM 0 HG LEU A 3 2.472 5.637 -2.608 1.00 5.43 H new ATOM 0 HD11 LEU A 3 1.494 7.417 -1.212 1.00 74.12 H new ATOM 0 HD12 LEU A 3 3.110 6.941 -0.638 1.00 74.12 H new ATOM 0 HD13 LEU A 3 2.901 8.452 -1.555 1.00 74.12 H new ATOM 0 HD21 LEU A 3 0.930 7.276 -3.611 1.00 53.30 H new ATOM 0 HD22 LEU A 3 2.315 8.306 -4.046 1.00 53.30 H new ATOM 0 HD23 LEU A 3 2.134 6.697 -4.786 1.00 53.30 H new ATOM 47 N PRO A 4 4.943 6.601 -6.586 1.00 62.24 N ATOM 48 CA PRO A 4 5.525 7.371 -7.690 1.00 20.31 C ATOM 49 C PRO A 4 5.247 8.865 -7.565 1.00 35.45 C ATOM 50 O PRO A 4 4.287 9.274 -6.910 1.00 21.30 O ATOM 51 CB PRO A 4 4.829 6.799 -8.927 1.00 75.22 C ATOM 52 CG PRO A 4 3.536 6.260 -8.419 1.00 61.41 C ATOM 53 CD PRO A 4 3.812 5.766 -7.026 1.00 4.32 C ATOM 0 HA PRO A 4 6.611 7.286 -7.718 1.00 20.31 H new ATOM 0 HB2 PRO A 4 4.668 7.569 -9.682 1.00 75.22 H new ATOM 0 HB3 PRO A 4 5.429 6.017 -9.392 1.00 75.22 H new ATOM 0 HG2 PRO A 4 2.766 7.032 -8.414 1.00 61.41 H new ATOM 0 HG3 PRO A 4 3.173 5.452 -9.055 1.00 61.41 H new ATOM 0 HD2 PRO A 4 2.945 5.889 -6.377 1.00 4.32 H new ATOM 0 HD3 PRO A 4 4.068 4.706 -7.019 1.00 4.32 H new ATOM 61 N ILE A 5 6.090 9.674 -8.196 1.00 3.03 N ATOM 62 CA ILE A 5 5.933 11.123 -8.155 1.00 61.55 C ATOM 63 C ILE A 5 6.478 11.770 -9.424 1.00 4.22 C ATOM 64 O ILE A 5 7.543 11.395 -9.915 1.00 43.45 O ATOM 65 CB ILE A 5 6.646 11.732 -6.934 1.00 13.50 C ATOM 66 CG1 ILE A 5 6.102 11.121 -5.641 1.00 64.41 C ATOM 67 CG2 ILE A 5 6.477 13.244 -6.923 1.00 12.44 C ATOM 68 CD1 ILE A 5 6.668 11.753 -4.389 1.00 23.11 C ATOM 0 H ILE A 5 6.889 9.351 -8.742 1.00 3.03 H new ATOM 0 HA ILE A 5 4.864 11.323 -8.078 1.00 61.55 H new ATOM 0 HB ILE A 5 7.710 11.504 -7.002 1.00 13.50 H new ATOM 0 HG12 ILE A 5 5.017 11.221 -5.630 1.00 64.41 H new ATOM 0 HG13 ILE A 5 6.324 10.054 -5.632 1.00 64.41 H new ATOM 0 HG21 ILE A 5 6.986 13.661 -6.054 1.00 12.44 H new ATOM 0 HG22 ILE A 5 6.907 13.665 -7.832 1.00 12.44 H new ATOM 0 HG23 ILE A 5 5.416 13.491 -6.875 1.00 12.44 H new ATOM 0 HD11 ILE A 5 6.238 11.270 -3.511 1.00 23.11 H new ATOM 0 HD12 ILE A 5 7.751 11.630 -4.377 1.00 23.11 H new ATOM 0 HD13 ILE A 5 6.424 12.815 -4.375 1.00 23.11 H new ATOM 80 N ILE A 6 5.742 12.745 -9.947 1.00 64.33 N ATOM 81 CA ILE A 6 6.154 13.447 -11.157 1.00 32.43 C ATOM 82 C ILE A 6 6.899 14.733 -10.819 1.00 11.51 C ATOM 83 O ILE A 6 6.531 15.451 -9.888 1.00 61.43 O ATOM 84 CB ILE A 6 4.946 13.786 -12.050 1.00 34.54 C ATOM 85 CG1 ILE A 6 4.461 12.535 -12.785 1.00 74.33 C ATOM 86 CG2 ILE A 6 5.310 14.881 -13.040 1.00 52.40 C ATOM 87 CD1 ILE A 6 2.961 12.346 -12.732 1.00 73.13 C ATOM 0 H ILE A 6 4.858 13.067 -9.552 1.00 64.33 H new ATOM 0 HA ILE A 6 6.820 12.776 -11.700 1.00 32.43 H new ATOM 0 HB ILE A 6 4.136 14.150 -11.418 1.00 34.54 H new ATOM 0 HG12 ILE A 6 4.775 12.591 -13.827 1.00 74.33 H new ATOM 0 HG13 ILE A 6 4.945 11.659 -12.353 1.00 74.33 H new ATOM 0 HG21 ILE A 6 4.446 15.109 -13.664 1.00 52.40 H new ATOM 0 HG22 ILE A 6 5.612 15.777 -12.497 1.00 52.40 H new ATOM 0 HG23 ILE A 6 6.133 14.543 -13.670 1.00 52.40 H new ATOM 0 HD11 ILE A 6 2.689 11.440 -13.273 1.00 73.13 H new ATOM 0 HD12 ILE A 6 2.642 12.258 -11.694 1.00 73.13 H new ATOM 0 HD13 ILE A 6 2.470 13.204 -13.191 1.00 73.13 H new ATOM 99 N VAL A 7 7.948 15.021 -11.583 1.00 1.43 N ATOM 100 CA VAL A 7 8.744 16.224 -11.367 1.00 30.32 C ATOM 101 C VAL A 7 8.884 17.029 -12.654 1.00 33.21 C ATOM 102 O VAL A 7 9.349 16.517 -13.672 1.00 64.03 O ATOM 103 CB VAL A 7 10.148 15.880 -10.835 1.00 32.54 C ATOM 104 CG1 VAL A 7 10.893 14.998 -11.825 1.00 21.11 C ATOM 105 CG2 VAL A 7 10.933 17.150 -10.543 1.00 33.41 C ATOM 0 H VAL A 7 8.266 14.438 -12.357 1.00 1.43 H new ATOM 0 HA VAL A 7 8.218 16.822 -10.623 1.00 30.32 H new ATOM 0 HB VAL A 7 10.039 15.326 -9.903 1.00 32.54 H new ATOM 0 HG11 VAL A 7 11.883 14.765 -11.432 1.00 21.11 H new ATOM 0 HG12 VAL A 7 10.337 14.073 -11.978 1.00 21.11 H new ATOM 0 HG13 VAL A 7 10.994 15.522 -12.775 1.00 21.11 H new ATOM 0 HG21 VAL A 7 11.922 16.888 -10.168 1.00 33.41 H new ATOM 0 HG22 VAL A 7 11.035 17.733 -11.458 1.00 33.41 H new ATOM 0 HG23 VAL A 7 10.405 17.740 -9.793 1.00 33.41 H new ATOM 115 N LYS A 8 8.478 18.293 -12.602 1.00 34.25 N ATOM 116 CA LYS A 8 8.558 19.172 -13.762 1.00 64.42 C ATOM 117 C LYS A 8 9.639 20.231 -13.568 1.00 73.14 C ATOM 118 O LYS A 8 9.569 21.040 -12.643 1.00 32.40 O ATOM 119 CB LYS A 8 7.207 19.845 -14.013 1.00 4.44 C ATOM 120 CG LYS A 8 6.733 20.705 -12.854 1.00 13.30 C ATOM 121 CD LYS A 8 5.217 20.702 -12.742 1.00 3.15 C ATOM 122 CE LYS A 8 4.572 21.481 -13.878 1.00 5.24 C ATOM 123 NZ LYS A 8 4.073 22.810 -13.426 1.00 24.51 N ATOM 0 H LYS A 8 8.090 18.732 -11.767 1.00 34.25 H new ATOM 0 HA LYS A 8 8.820 18.565 -14.629 1.00 64.42 H new ATOM 0 HB2 LYS A 8 7.279 20.463 -14.908 1.00 4.44 H new ATOM 0 HB3 LYS A 8 6.460 19.078 -14.215 1.00 4.44 H new ATOM 0 HG2 LYS A 8 7.168 20.337 -11.925 1.00 13.30 H new ATOM 0 HG3 LYS A 8 7.087 21.727 -12.989 1.00 13.30 H new ATOM 0 HD2 LYS A 8 4.853 19.675 -12.751 1.00 3.15 H new ATOM 0 HD3 LYS A 8 4.921 21.137 -11.787 1.00 3.15 H new ATOM 0 HE2 LYS A 8 5.296 21.619 -14.681 1.00 5.24 H new ATOM 0 HE3 LYS A 8 3.745 20.904 -14.291 1.00 5.24 H new ATOM 0 HZ1 LYS A 8 3.641 23.310 -14.229 1.00 24.51 H new ATOM 0 HZ2 LYS A 8 3.363 22.678 -12.677 1.00 24.51 H new ATOM 0 HZ3 LYS A 8 4.866 23.371 -13.056 1.00 24.51 H new ATOM 137 N TRP A 9 10.634 20.221 -14.447 1.00 5.10 N ATOM 138 CA TRP A 9 11.729 21.183 -14.373 1.00 34.24 C ATOM 139 C TRP A 9 11.841 21.980 -15.667 1.00 44.22 C ATOM 140 O TRP A 9 12.358 21.486 -16.669 1.00 13.14 O ATOM 141 CB TRP A 9 13.048 20.464 -14.085 1.00 52.11 C ATOM 142 CG TRP A 9 14.256 21.307 -14.363 1.00 31.34 C ATOM 143 CD1 TRP A 9 15.368 20.939 -15.064 1.00 62.43 C ATOM 144 CD2 TRP A 9 14.473 22.658 -13.942 1.00 63.10 C ATOM 145 NE1 TRP A 9 16.264 21.980 -15.105 1.00 61.33 N ATOM 146 CE2 TRP A 9 15.738 23.046 -14.425 1.00 44.11 C ATOM 147 CE3 TRP A 9 13.722 23.578 -13.207 1.00 11.25 C ATOM 148 CZ2 TRP A 9 16.266 24.314 -14.194 1.00 61.40 C ATOM 149 CZ3 TRP A 9 14.247 24.836 -12.978 1.00 22.32 C ATOM 150 CH2 TRP A 9 15.509 25.195 -13.471 1.00 31.52 C ATOM 0 H TRP A 9 10.706 19.558 -15.219 1.00 5.10 H new ATOM 0 HA TRP A 9 11.517 21.876 -13.559 1.00 34.24 H new ATOM 0 HB2 TRP A 9 13.063 20.153 -13.041 1.00 52.11 H new ATOM 0 HB3 TRP A 9 13.099 19.558 -14.689 1.00 52.11 H new ATOM 0 HD1 TRP A 9 15.521 19.972 -15.519 1.00 62.43 H new ATOM 0 HE1 TRP A 9 17.173 21.962 -15.567 1.00 61.33 H new ATOM 0 HE3 TRP A 9 12.748 23.311 -12.824 1.00 11.25 H new ATOM 0 HZ2 TRP A 9 17.239 24.592 -14.572 1.00 61.40 H new ATOM 0 HZ3 TRP A 9 13.675 25.554 -12.410 1.00 22.32 H new ATOM 0 HH2 TRP A 9 15.891 26.186 -13.276 1.00 31.52 H new ATOM 161 N GLY A 10 11.355 23.217 -15.640 1.00 10.42 N ATOM 162 CA GLY A 10 11.411 24.063 -16.818 1.00 25.01 C ATOM 163 C GLY A 10 10.116 24.048 -17.605 1.00 10.33 C ATOM 164 O GLY A 10 9.280 24.938 -17.454 1.00 34.23 O ATOM 0 H GLY A 10 10.923 23.649 -14.823 1.00 10.42 H new ATOM 0 HA2 GLY A 10 11.637 25.086 -16.517 1.00 25.01 H new ATOM 0 HA3 GLY A 10 12.227 23.732 -17.461 1.00 25.01 H new ATOM 168 N GLY A 11 9.950 23.035 -18.450 1.00 33.05 N ATOM 169 CA GLY A 11 8.745 22.928 -19.252 1.00 43.31 C ATOM 170 C GLY A 11 8.419 21.494 -19.619 1.00 55.44 C ATOM 171 O GLY A 11 7.673 21.245 -20.566 1.00 33.21 O ATOM 0 H GLY A 11 10.628 22.287 -18.593 1.00 33.05 H new ATOM 0 HA2 GLY A 11 7.908 23.359 -18.703 1.00 43.31 H new ATOM 0 HA3 GLY A 11 8.865 23.515 -20.163 1.00 43.31 H new ATOM 175 N GLN A 12 8.979 20.551 -18.870 1.00 63.31 N ATOM 176 CA GLN A 12 8.745 19.134 -19.124 1.00 54.24 C ATOM 177 C GLN A 12 8.319 18.415 -17.849 1.00 11.35 C ATOM 178 O GLN A 12 8.290 19.009 -16.771 1.00 50.12 O ATOM 179 CB GLN A 12 10.005 18.481 -19.696 1.00 14.44 C ATOM 180 CG GLN A 12 10.082 18.533 -21.213 1.00 2.31 C ATOM 181 CD GLN A 12 9.333 17.394 -21.875 1.00 21.41 C ATOM 182 OE1 GLN A 12 8.934 16.432 -21.217 1.00 3.43 O ATOM 183 NE2 GLN A 12 9.137 17.495 -23.184 1.00 45.14 N ATOM 0 H GLN A 12 9.598 20.742 -18.082 1.00 63.31 H new ATOM 0 HA GLN A 12 7.939 19.050 -19.853 1.00 54.24 H new ATOM 0 HB2 GLN A 12 10.882 18.976 -19.279 1.00 14.44 H new ATOM 0 HB3 GLN A 12 10.043 17.440 -19.374 1.00 14.44 H new ATOM 0 HG2 GLN A 12 9.674 19.482 -21.561 1.00 2.31 H new ATOM 0 HG3 GLN A 12 11.127 18.503 -21.521 1.00 2.31 H new ATOM 0 HE21 GLN A 12 9.484 18.309 -23.690 1.00 45.14 H new ATOM 0 HE22 GLN A 12 8.639 16.758 -23.683 1.00 45.14 H new ATOM 192 N GLU A 13 7.989 17.134 -17.979 1.00 1.12 N ATOM 193 CA GLU A 13 7.564 16.335 -16.835 1.00 53.44 C ATOM 194 C GLU A 13 8.288 14.992 -16.810 1.00 54.34 C ATOM 195 O GLU A 13 8.501 14.370 -17.851 1.00 54.14 O ATOM 196 CB GLU A 13 6.051 16.111 -16.876 1.00 53.04 C ATOM 197 CG GLU A 13 5.241 17.374 -16.637 1.00 3.43 C ATOM 198 CD GLU A 13 3.766 17.091 -16.429 1.00 1.53 C ATOM 199 OE1 GLU A 13 3.434 15.970 -15.991 1.00 11.14 O ATOM 200 OE2 GLU A 13 2.944 17.990 -16.704 1.00 4.41 O ATOM 0 H GLU A 13 8.008 16.627 -18.864 1.00 1.12 H new ATOM 0 HA GLU A 13 7.819 16.882 -15.927 1.00 53.44 H new ATOM 0 HB2 GLU A 13 5.780 15.694 -17.846 1.00 53.04 H new ATOM 0 HB3 GLU A 13 5.782 15.369 -16.124 1.00 53.04 H new ATOM 0 HG2 GLU A 13 5.634 17.893 -15.763 1.00 3.43 H new ATOM 0 HG3 GLU A 13 5.362 18.045 -17.487 1.00 3.43 H new ATOM 207 N TYR A 14 8.664 14.552 -15.615 1.00 34.10 N ATOM 208 CA TYR A 14 9.366 13.285 -15.454 1.00 23.44 C ATOM 209 C TYR A 14 8.783 12.482 -14.295 1.00 33.21 C ATOM 210 O TYR A 14 8.777 12.936 -13.151 1.00 2.02 O ATOM 211 CB TYR A 14 10.858 13.531 -15.218 1.00 75.42 C ATOM 212 CG TYR A 14 11.538 14.258 -16.356 1.00 22.13 C ATOM 213 CD1 TYR A 14 11.358 15.623 -16.540 1.00 12.32 C ATOM 214 CD2 TYR A 14 12.361 13.580 -17.247 1.00 32.13 C ATOM 215 CE1 TYR A 14 11.977 16.292 -17.578 1.00 41.00 C ATOM 216 CE2 TYR A 14 12.985 14.241 -18.287 1.00 22.42 C ATOM 217 CZ TYR A 14 12.790 15.596 -18.448 1.00 41.45 C ATOM 218 OH TYR A 14 13.409 16.258 -19.484 1.00 62.02 O ATOM 0 H TYR A 14 8.494 15.054 -14.743 1.00 34.10 H new ATOM 0 HA TYR A 14 9.239 12.710 -16.371 1.00 23.44 H new ATOM 0 HB2 TYR A 14 10.982 14.109 -14.302 1.00 75.42 H new ATOM 0 HB3 TYR A 14 11.355 12.574 -15.060 1.00 75.42 H new ATOM 0 HD1 TYR A 14 10.723 16.171 -15.860 1.00 12.32 H new ATOM 0 HD2 TYR A 14 12.515 12.518 -17.124 1.00 32.13 H new ATOM 0 HE1 TYR A 14 11.825 17.353 -17.707 1.00 41.00 H new ATOM 0 HE2 TYR A 14 13.622 13.699 -18.970 1.00 22.42 H new ATOM 0 HH TYR A 14 13.947 15.624 -20.003 1.00 62.02 H new ATOM 228 N SER A 15 8.293 11.285 -14.601 1.00 35.33 N ATOM 229 CA SER A 15 7.703 10.418 -13.587 1.00 3.24 C ATOM 230 C SER A 15 8.783 9.625 -12.856 1.00 75.45 C ATOM 231 O SER A 15 9.675 9.049 -13.480 1.00 33.14 O ATOM 232 CB SER A 15 6.695 9.461 -14.226 1.00 44.32 C ATOM 233 OG SER A 15 7.211 8.903 -15.422 1.00 74.14 O ATOM 0 H SER A 15 8.293 10.893 -15.543 1.00 35.33 H new ATOM 0 HA SER A 15 7.185 11.047 -12.863 1.00 3.24 H new ATOM 0 HB2 SER A 15 6.451 8.663 -13.524 1.00 44.32 H new ATOM 0 HB3 SER A 15 5.768 9.993 -14.439 1.00 44.32 H new ATOM 0 HG SER A 15 6.549 8.294 -15.811 1.00 74.14 H new ATOM 239 N VAL A 16 8.694 9.599 -11.530 1.00 62.34 N ATOM 240 CA VAL A 16 9.661 8.875 -10.714 1.00 4.53 C ATOM 241 C VAL A 16 9.150 7.483 -10.360 1.00 44.32 C ATOM 242 O VAL A 16 8.047 7.329 -9.836 1.00 74.23 O ATOM 243 CB VAL A 16 9.981 9.638 -9.414 1.00 53.33 C ATOM 244 CG1 VAL A 16 10.978 8.860 -8.569 1.00 40.34 C ATOM 245 CG2 VAL A 16 10.508 11.030 -9.730 1.00 30.12 C ATOM 0 H VAL A 16 7.962 10.071 -10.998 1.00 62.34 H new ATOM 0 HA VAL A 16 10.571 8.784 -11.308 1.00 4.53 H new ATOM 0 HB VAL A 16 9.061 9.744 -8.840 1.00 53.33 H new ATOM 0 HG11 VAL A 16 11.192 9.415 -7.655 1.00 40.34 H new ATOM 0 HG12 VAL A 16 10.557 7.888 -8.313 1.00 40.34 H new ATOM 0 HG13 VAL A 16 11.901 8.719 -9.132 1.00 40.34 H new ATOM 0 HG21 VAL A 16 10.729 11.555 -8.801 1.00 30.12 H new ATOM 0 HG22 VAL A 16 11.417 10.948 -10.326 1.00 30.12 H new ATOM 0 HG23 VAL A 16 9.756 11.585 -10.290 1.00 30.12 H new ATOM 255 N THR A 17 9.961 6.470 -10.650 1.00 11.01 N ATOM 256 CA THR A 17 9.591 5.090 -10.364 1.00 23.35 C ATOM 257 C THR A 17 10.767 4.316 -9.779 1.00 21.44 C ATOM 258 O THR A 17 11.582 3.754 -10.512 1.00 54.32 O ATOM 259 CB THR A 17 9.095 4.367 -11.630 1.00 35.12 C ATOM 260 OG1 THR A 17 9.880 4.762 -12.760 1.00 2.52 O ATOM 261 CG2 THR A 17 7.629 4.679 -11.891 1.00 34.51 C ATOM 0 H THR A 17 10.878 6.580 -11.083 1.00 11.01 H new ATOM 0 HA THR A 17 8.782 5.125 -9.634 1.00 23.35 H new ATOM 0 HB THR A 17 9.200 3.293 -11.473 1.00 35.12 H new ATOM 0 HG1 THR A 17 10.829 4.606 -12.570 1.00 2.52 H new ATOM 0 HG21 THR A 17 7.301 4.158 -12.790 1.00 34.51 H new ATOM 0 HG22 THR A 17 7.030 4.350 -11.042 1.00 34.51 H new ATOM 0 HG23 THR A 17 7.505 5.753 -12.029 1.00 34.51 H new ATOM 269 N THR A 18 10.851 4.288 -8.452 1.00 54.20 N ATOM 270 CA THR A 18 11.927 3.583 -7.768 1.00 43.14 C ATOM 271 C THR A 18 11.876 3.827 -6.264 1.00 62.25 C ATOM 272 O THR A 18 12.294 2.980 -5.473 1.00 41.24 O ATOM 273 CB THR A 18 13.307 4.014 -8.300 1.00 63.31 C ATOM 274 OG1 THR A 18 14.335 3.588 -7.398 1.00 74.00 O ATOM 275 CG2 THR A 18 13.373 5.523 -8.475 1.00 52.51 C ATOM 0 H THR A 18 10.185 4.746 -7.830 1.00 54.20 H new ATOM 0 HA THR A 18 11.785 2.521 -7.966 1.00 43.14 H new ATOM 0 HB THR A 18 13.459 3.545 -9.272 1.00 63.31 H new ATOM 0 HG1 THR A 18 15.209 3.864 -7.744 1.00 74.00 H new ATOM 0 HG21 THR A 18 14.357 5.803 -8.852 1.00 52.51 H new ATOM 0 HG22 THR A 18 12.609 5.841 -9.185 1.00 52.51 H new ATOM 0 HG23 THR A 18 13.200 6.009 -7.514 1.00 52.51 H new ATOM 283 N LEU A 19 11.361 4.988 -5.875 1.00 62.23 N ATOM 284 CA LEU A 19 11.255 5.343 -4.464 1.00 75.13 C ATOM 285 C LEU A 19 9.977 4.775 -3.855 1.00 54.21 C ATOM 286 O LEU A 19 8.968 4.615 -4.542 1.00 15.34 O ATOM 287 CB LEU A 19 11.281 6.863 -4.297 1.00 40.24 C ATOM 288 CG LEU A 19 12.591 7.459 -3.779 1.00 75.13 C ATOM 289 CD1 LEU A 19 12.831 7.045 -2.336 1.00 12.34 C ATOM 290 CD2 LEU A 19 13.756 7.031 -4.659 1.00 50.44 C ATOM 0 H LEU A 19 11.010 5.699 -6.516 1.00 62.23 H new ATOM 0 HA LEU A 19 12.108 4.912 -3.941 1.00 75.13 H new ATOM 0 HB2 LEU A 19 11.054 7.318 -5.261 1.00 40.24 H new ATOM 0 HB3 LEU A 19 10.481 7.147 -3.614 1.00 40.24 H new ATOM 0 HG LEU A 19 12.514 8.546 -3.816 1.00 75.13 H new ATOM 0 HD11 LEU A 19 13.767 7.478 -1.984 1.00 12.34 H new ATOM 0 HD12 LEU A 19 12.010 7.401 -1.714 1.00 12.34 H new ATOM 0 HD13 LEU A 19 12.888 5.958 -2.274 1.00 12.34 H new ATOM 0 HD21 LEU A 19 14.680 7.464 -4.276 1.00 50.44 H new ATOM 0 HD22 LEU A 19 13.836 5.944 -4.654 1.00 50.44 H new ATOM 0 HD23 LEU A 19 13.588 7.378 -5.679 1.00 50.44 H new ATOM 302 N SER A 20 10.027 4.474 -2.561 1.00 51.33 N ATOM 303 CA SER A 20 8.874 3.923 -1.859 1.00 72.04 C ATOM 304 C SER A 20 8.625 4.670 -0.553 1.00 1.04 C ATOM 305 O SER A 20 9.463 5.451 -0.104 1.00 13.54 O ATOM 306 CB SER A 20 9.086 2.434 -1.577 1.00 10.53 C ATOM 307 OG SER A 20 10.436 2.061 -1.794 1.00 53.43 O ATOM 0 H SER A 20 10.854 4.603 -1.978 1.00 51.33 H new ATOM 0 HA SER A 20 7.999 4.043 -2.498 1.00 72.04 H new ATOM 0 HB2 SER A 20 8.805 2.212 -0.547 1.00 10.53 H new ATOM 0 HB3 SER A 20 8.434 1.842 -2.220 1.00 10.53 H new ATOM 0 HG SER A 20 11.025 2.644 -1.271 1.00 53.43 H new ATOM 313 N GLU A 21 7.467 4.423 0.052 1.00 61.11 N ATOM 314 CA GLU A 21 7.107 5.073 1.307 1.00 63.23 C ATOM 315 C GLU A 21 8.132 4.761 2.394 1.00 52.30 C ATOM 316 O GLU A 21 8.255 5.496 3.374 1.00 21.23 O ATOM 317 CB GLU A 21 5.716 4.624 1.758 1.00 12.43 C ATOM 318 CG GLU A 21 4.654 4.756 0.679 1.00 10.14 C ATOM 319 CD GLU A 21 3.283 4.313 1.153 1.00 63.12 C ATOM 320 OE1 GLU A 21 3.183 3.802 2.288 1.00 43.51 O ATOM 321 OE2 GLU A 21 2.310 4.477 0.387 1.00 2.22 O ATOM 0 H GLU A 21 6.763 3.778 -0.306 1.00 61.11 H new ATOM 0 HA GLU A 21 7.097 6.150 1.140 1.00 63.23 H new ATOM 0 HB2 GLU A 21 5.766 3.584 2.081 1.00 12.43 H new ATOM 0 HB3 GLU A 21 5.417 5.213 2.625 1.00 12.43 H new ATOM 0 HG2 GLU A 21 4.603 5.794 0.350 1.00 10.14 H new ATOM 0 HG3 GLU A 21 4.945 4.161 -0.187 1.00 10.14 H new ATOM 328 N ASP A 22 8.864 3.668 2.213 1.00 35.50 N ATOM 329 CA ASP A 22 9.878 3.258 3.177 1.00 31.04 C ATOM 330 C ASP A 22 11.047 4.238 3.186 1.00 14.42 C ATOM 331 O ASP A 22 11.908 4.185 4.064 1.00 30.02 O ATOM 332 CB ASP A 22 10.380 1.850 2.855 1.00 72.32 C ATOM 333 CG ASP A 22 10.265 0.909 4.038 1.00 30.10 C ATOM 334 OD1 ASP A 22 9.192 0.292 4.203 1.00 61.22 O ATOM 335 OD2 ASP A 22 11.248 0.790 4.800 1.00 53.42 O ATOM 0 H ASP A 22 8.774 3.049 1.407 1.00 35.50 H new ATOM 0 HA ASP A 22 9.422 3.255 4.167 1.00 31.04 H new ATOM 0 HB2 ASP A 22 9.810 1.447 2.018 1.00 72.32 H new ATOM 0 HB3 ASP A 22 11.421 1.903 2.536 1.00 72.32 H new ATOM 340 N ASP A 23 11.070 5.132 2.203 1.00 20.33 N ATOM 341 CA ASP A 23 12.133 6.124 2.098 1.00 50.55 C ATOM 342 C ASP A 23 11.652 7.489 2.580 1.00 53.44 C ATOM 343 O ASP A 23 10.784 7.583 3.449 1.00 43.11 O ATOM 344 CB ASP A 23 12.625 6.224 0.653 1.00 53.43 C ATOM 345 CG ASP A 23 12.787 4.865 0.001 1.00 3.21 C ATOM 346 OD1 ASP A 23 11.768 4.291 -0.437 1.00 1.03 O ATOM 347 OD2 ASP A 23 13.934 4.376 -0.072 1.00 33.03 O ATOM 0 H ASP A 23 10.365 5.190 1.468 1.00 20.33 H new ATOM 0 HA ASP A 23 12.959 5.805 2.734 1.00 50.55 H new ATOM 0 HB2 ASP A 23 11.921 6.820 0.073 1.00 53.43 H new ATOM 0 HB3 ASP A 23 13.580 6.749 0.633 1.00 53.43 H new ATOM 352 N THR A 24 12.221 8.547 2.010 1.00 1.32 N ATOM 353 CA THR A 24 11.852 9.907 2.383 1.00 3.00 C ATOM 354 C THR A 24 11.687 10.789 1.151 1.00 50.31 C ATOM 355 O THR A 24 12.068 10.406 0.045 1.00 73.13 O ATOM 356 CB THR A 24 12.903 10.539 3.315 1.00 24.43 C ATOM 357 OG1 THR A 24 14.113 9.773 3.279 1.00 1.33 O ATOM 358 CG2 THR A 24 12.386 10.611 4.744 1.00 54.31 C ATOM 0 H THR A 24 12.939 8.488 1.288 1.00 1.32 H new ATOM 0 HA THR A 24 10.901 9.843 2.911 1.00 3.00 H new ATOM 0 HB THR A 24 13.103 11.552 2.966 1.00 24.43 H new ATOM 0 HG1 THR A 24 14.777 10.182 3.873 1.00 1.33 H new ATOM 0 HG21 THR A 24 13.146 11.061 5.383 1.00 54.31 H new ATOM 0 HG22 THR A 24 11.481 11.218 4.773 1.00 54.31 H new ATOM 0 HG23 THR A 24 12.160 9.606 5.100 1.00 54.31 H new ATOM 366 N VAL A 25 11.117 11.974 1.349 1.00 22.21 N ATOM 367 CA VAL A 25 10.903 12.912 0.254 1.00 61.03 C ATOM 368 C VAL A 25 12.228 13.363 -0.350 1.00 42.23 C ATOM 369 O VAL A 25 12.370 13.447 -1.571 1.00 24.40 O ATOM 370 CB VAL A 25 10.116 14.151 0.721 1.00 24.24 C ATOM 371 CG1 VAL A 25 10.001 15.167 -0.405 1.00 31.33 C ATOM 372 CG2 VAL A 25 8.741 13.747 1.230 1.00 54.14 C ATOM 0 H VAL A 25 10.795 12.307 2.258 1.00 22.21 H new ATOM 0 HA VAL A 25 10.322 12.386 -0.504 1.00 61.03 H new ATOM 0 HB VAL A 25 10.660 14.617 1.543 1.00 24.24 H new ATOM 0 HG11 VAL A 25 9.442 16.035 -0.056 1.00 31.33 H new ATOM 0 HG12 VAL A 25 10.998 15.479 -0.717 1.00 31.33 H new ATOM 0 HG13 VAL A 25 9.481 14.716 -1.250 1.00 31.33 H new ATOM 0 HG21 VAL A 25 8.198 14.634 1.556 1.00 54.14 H new ATOM 0 HG22 VAL A 25 8.187 13.256 0.430 1.00 54.14 H new ATOM 0 HG23 VAL A 25 8.851 13.060 2.069 1.00 54.14 H new ATOM 382 N LEU A 26 13.197 13.653 0.512 1.00 74.04 N ATOM 383 CA LEU A 26 14.512 14.096 0.064 1.00 64.34 C ATOM 384 C LEU A 26 15.184 13.027 -0.793 1.00 52.33 C ATOM 385 O LEU A 26 15.979 13.338 -1.681 1.00 15.03 O ATOM 386 CB LEU A 26 15.396 14.431 1.266 1.00 23.13 C ATOM 387 CG LEU A 26 16.360 13.333 1.717 1.00 4.24 C ATOM 388 CD1 LEU A 26 17.670 13.424 0.950 1.00 51.14 C ATOM 389 CD2 LEU A 26 16.611 13.426 3.216 1.00 72.04 C ATOM 0 H LEU A 26 13.096 13.589 1.525 1.00 74.04 H new ATOM 0 HA LEU A 26 14.379 14.992 -0.543 1.00 64.34 H new ATOM 0 HB2 LEU A 26 15.977 15.322 1.027 1.00 23.13 H new ATOM 0 HB3 LEU A 26 14.751 14.688 2.106 1.00 23.13 H new ATOM 0 HG LEU A 26 15.904 12.366 1.504 1.00 4.24 H new ATOM 0 HD11 LEU A 26 18.343 12.635 1.285 1.00 51.14 H new ATOM 0 HD12 LEU A 26 17.476 13.308 -0.116 1.00 51.14 H new ATOM 0 HD13 LEU A 26 18.131 14.395 1.131 1.00 51.14 H new ATOM 0 HD21 LEU A 26 17.299 12.637 3.519 1.00 72.04 H new ATOM 0 HD22 LEU A 26 17.045 14.397 3.453 1.00 72.04 H new ATOM 0 HD23 LEU A 26 15.668 13.310 3.751 1.00 72.04 H new ATOM 401 N ASP A 27 14.857 11.768 -0.523 1.00 4.31 N ATOM 402 CA ASP A 27 15.426 10.653 -1.271 1.00 42.43 C ATOM 403 C ASP A 27 14.867 10.609 -2.690 1.00 13.22 C ATOM 404 O ASP A 27 15.558 10.214 -3.629 1.00 61.53 O ATOM 405 CB ASP A 27 15.140 9.332 -0.556 1.00 3.24 C ATOM 406 CG ASP A 27 16.321 8.382 -0.601 1.00 12.15 C ATOM 407 OD1 ASP A 27 17.240 8.616 -1.413 1.00 62.42 O ATOM 408 OD2 ASP A 27 16.326 7.406 0.177 1.00 32.45 O ATOM 0 H ASP A 27 14.201 11.494 0.208 1.00 4.31 H new ATOM 0 HA ASP A 27 16.505 10.799 -1.329 1.00 42.43 H new ATOM 0 HB2 ASP A 27 14.879 9.534 0.483 1.00 3.24 H new ATOM 0 HB3 ASP A 27 14.275 8.854 -1.015 1.00 3.24 H new ATOM 413 N LEU A 28 13.611 11.017 -2.838 1.00 20.32 N ATOM 414 CA LEU A 28 12.957 11.023 -4.142 1.00 24.11 C ATOM 415 C LEU A 28 13.363 12.253 -4.948 1.00 73.43 C ATOM 416 O LEU A 28 13.741 12.147 -6.115 1.00 63.40 O ATOM 417 CB LEU A 28 11.437 10.988 -3.973 1.00 5.13 C ATOM 418 CG LEU A 28 10.647 10.384 -5.133 1.00 74.35 C ATOM 419 CD1 LEU A 28 9.529 9.494 -4.612 1.00 23.52 C ATOM 420 CD2 LEU A 28 10.084 11.482 -6.025 1.00 23.44 C ATOM 0 H LEU A 28 13.025 11.348 -2.071 1.00 20.32 H new ATOM 0 HA LEU A 28 13.276 10.133 -4.685 1.00 24.11 H new ATOM 0 HB2 LEU A 28 11.205 10.425 -3.069 1.00 5.13 H new ATOM 0 HB3 LEU A 28 11.086 12.007 -3.812 1.00 5.13 H new ATOM 0 HG LEU A 28 11.325 9.771 -5.728 1.00 74.35 H new ATOM 0 HD11 LEU A 28 8.978 9.073 -5.453 1.00 23.52 H new ATOM 0 HD12 LEU A 28 9.954 8.687 -4.016 1.00 23.52 H new ATOM 0 HD13 LEU A 28 8.853 10.084 -3.993 1.00 23.52 H new ATOM 0 HD21 LEU A 28 9.525 11.033 -6.846 1.00 23.44 H new ATOM 0 HD22 LEU A 28 9.422 12.121 -5.441 1.00 23.44 H new ATOM 0 HD23 LEU A 28 10.902 12.079 -6.428 1.00 23.44 H new ATOM 432 N LYS A 29 13.283 13.420 -4.318 1.00 73.31 N ATOM 433 CA LYS A 29 13.644 14.670 -4.974 1.00 41.54 C ATOM 434 C LYS A 29 15.115 14.667 -5.380 1.00 14.13 C ATOM 435 O LYS A 29 15.445 14.861 -6.549 1.00 62.32 O ATOM 436 CB LYS A 29 13.362 15.856 -4.049 1.00 0.12 C ATOM 437 CG LYS A 29 11.995 16.483 -4.263 1.00 44.31 C ATOM 438 CD LYS A 29 10.942 15.841 -3.376 1.00 52.23 C ATOM 439 CE LYS A 29 10.186 14.745 -4.112 1.00 43.33 C ATOM 440 NZ LYS A 29 8.734 15.053 -4.225 1.00 35.54 N ATOM 0 H LYS A 29 12.971 13.526 -3.353 1.00 73.31 H new ATOM 0 HA LYS A 29 13.037 14.767 -5.874 1.00 41.54 H new ATOM 0 HB2 LYS A 29 13.443 15.525 -3.013 1.00 0.12 H new ATOM 0 HB3 LYS A 29 14.129 16.616 -4.202 1.00 0.12 H new ATOM 0 HG2 LYS A 29 12.047 17.551 -4.053 1.00 44.31 H new ATOM 0 HG3 LYS A 29 11.705 16.377 -5.308 1.00 44.31 H new ATOM 0 HD2 LYS A 29 11.418 15.423 -2.489 1.00 52.23 H new ATOM 0 HD3 LYS A 29 10.240 16.602 -3.034 1.00 52.23 H new ATOM 0 HE2 LYS A 29 10.609 14.618 -5.109 1.00 43.33 H new ATOM 0 HE3 LYS A 29 10.317 13.798 -3.588 1.00 43.33 H new ATOM 0 HZ1 LYS A 29 8.355 14.625 -5.094 1.00 35.54 H new ATOM 0 HZ2 LYS A 29 8.232 14.666 -3.400 1.00 35.54 H new ATOM 0 HZ3 LYS A 29 8.599 16.084 -4.260 1.00 35.54 H new ATOM 454 N GLN A 30 15.992 14.445 -4.406 1.00 74.41 N ATOM 455 CA GLN A 30 17.427 14.415 -4.663 1.00 54.42 C ATOM 456 C GLN A 30 17.770 13.364 -5.713 1.00 23.42 C ATOM 457 O GLN A 30 18.807 13.445 -6.372 1.00 22.35 O ATOM 458 CB GLN A 30 18.192 14.131 -3.370 1.00 2.43 C ATOM 459 CG GLN A 30 18.355 12.650 -3.072 1.00 62.40 C ATOM 460 CD GLN A 30 19.657 12.086 -3.608 1.00 55.42 C ATOM 461 OE1 GLN A 30 20.740 12.563 -3.268 1.00 53.21 O ATOM 462 NE2 GLN A 30 19.557 11.066 -4.452 1.00 21.43 N ATOM 0 H GLN A 30 15.734 14.283 -3.432 1.00 74.41 H new ATOM 0 HA GLN A 30 17.723 15.392 -5.044 1.00 54.42 H new ATOM 0 HB2 GLN A 30 19.178 14.591 -3.433 1.00 2.43 H new ATOM 0 HB3 GLN A 30 17.671 14.605 -2.538 1.00 2.43 H new ATOM 0 HG2 GLN A 30 18.312 12.493 -1.994 1.00 62.40 H new ATOM 0 HG3 GLN A 30 17.520 12.102 -3.507 1.00 62.40 H new ATOM 0 HE21 GLN A 30 18.638 10.703 -4.706 1.00 21.43 H new ATOM 0 HE22 GLN A 30 20.399 10.646 -4.846 1.00 21.43 H new ATOM 471 N PHE A 31 16.894 12.376 -5.863 1.00 55.31 N ATOM 472 CA PHE A 31 17.105 11.307 -6.832 1.00 12.11 C ATOM 473 C PHE A 31 16.783 11.783 -8.246 1.00 34.54 C ATOM 474 O PHE A 31 17.615 11.691 -9.149 1.00 21.42 O ATOM 475 CB PHE A 31 16.241 10.094 -6.481 1.00 24.34 C ATOM 476 CG PHE A 31 16.226 9.039 -7.550 1.00 52.20 C ATOM 477 CD1 PHE A 31 17.187 8.041 -7.571 1.00 52.24 C ATOM 478 CD2 PHE A 31 15.250 9.046 -8.534 1.00 20.44 C ATOM 479 CE1 PHE A 31 17.175 7.070 -8.555 1.00 1.31 C ATOM 480 CE2 PHE A 31 15.233 8.077 -9.519 1.00 70.15 C ATOM 481 CZ PHE A 31 16.196 7.087 -9.529 1.00 44.33 C ATOM 0 H PHE A 31 16.031 12.294 -5.326 1.00 55.31 H new ATOM 0 HA PHE A 31 18.156 11.019 -6.795 1.00 12.11 H new ATOM 0 HB2 PHE A 31 16.606 9.654 -5.553 1.00 24.34 H new ATOM 0 HB3 PHE A 31 15.220 10.427 -6.296 1.00 24.34 H new ATOM 0 HD1 PHE A 31 17.954 8.021 -6.811 1.00 52.24 H new ATOM 0 HD2 PHE A 31 14.494 9.817 -8.531 1.00 20.44 H new ATOM 0 HE1 PHE A 31 17.931 6.299 -8.562 1.00 1.31 H new ATOM 0 HE2 PHE A 31 14.467 8.094 -10.280 1.00 70.15 H new ATOM 0 HZ PHE A 31 16.183 6.328 -10.297 1.00 44.33 H new ATOM 491 N LEU A 32 15.569 12.290 -8.430 1.00 41.41 N ATOM 492 CA LEU A 32 15.135 12.780 -9.734 1.00 12.43 C ATOM 493 C LEU A 32 15.911 14.032 -10.131 1.00 52.10 C ATOM 494 O LEU A 32 16.326 14.180 -11.281 1.00 24.44 O ATOM 495 CB LEU A 32 13.635 13.081 -9.714 1.00 1.22 C ATOM 496 CG LEU A 32 13.143 13.965 -8.567 1.00 31.51 C ATOM 497 CD1 LEU A 32 13.113 15.424 -8.993 1.00 13.25 C ATOM 498 CD2 LEU A 32 11.766 13.515 -8.100 1.00 62.42 C ATOM 0 H LEU A 32 14.868 12.373 -7.694 1.00 41.41 H new ATOM 0 HA LEU A 32 15.334 12.002 -10.472 1.00 12.43 H new ATOM 0 HB2 LEU A 32 13.368 13.561 -10.656 1.00 1.22 H new ATOM 0 HB3 LEU A 32 13.095 12.135 -9.674 1.00 1.22 H new ATOM 0 HG LEU A 32 13.838 13.866 -7.733 1.00 31.51 H new ATOM 0 HD11 LEU A 32 12.760 16.038 -8.164 1.00 13.25 H new ATOM 0 HD12 LEU A 32 14.116 15.741 -9.278 1.00 13.25 H new ATOM 0 HD13 LEU A 32 12.441 15.541 -9.843 1.00 13.25 H new ATOM 0 HD21 LEU A 32 11.432 14.155 -7.284 1.00 62.42 H new ATOM 0 HD22 LEU A 32 11.060 13.584 -8.928 1.00 62.42 H new ATOM 0 HD23 LEU A 32 11.819 12.483 -7.754 1.00 62.42 H new ATOM 510 N LYS A 33 16.105 14.931 -9.172 1.00 32.11 N ATOM 511 CA LYS A 33 16.834 16.169 -9.419 1.00 40.12 C ATOM 512 C LYS A 33 18.214 15.881 -10.000 1.00 65.34 C ATOM 513 O LYS A 33 18.776 16.699 -10.729 1.00 64.25 O ATOM 514 CB LYS A 33 16.972 16.971 -8.123 1.00 40.33 C ATOM 515 CG LYS A 33 18.387 17.455 -7.855 1.00 54.01 C ATOM 516 CD LYS A 33 19.222 16.384 -7.174 1.00 3.43 C ATOM 517 CE LYS A 33 20.686 16.480 -7.575 1.00 42.51 C ATOM 518 NZ LYS A 33 21.479 15.329 -7.061 1.00 51.33 N ATOM 0 H LYS A 33 15.767 14.825 -8.215 1.00 32.11 H new ATOM 0 HA LYS A 33 16.269 16.755 -10.144 1.00 40.12 H new ATOM 0 HB2 LYS A 33 16.304 17.832 -8.165 1.00 40.33 H new ATOM 0 HB3 LYS A 33 16.644 16.354 -7.287 1.00 40.33 H new ATOM 0 HG2 LYS A 33 18.858 17.743 -8.795 1.00 54.01 H new ATOM 0 HG3 LYS A 33 18.355 18.346 -7.228 1.00 54.01 H new ATOM 0 HD2 LYS A 33 19.133 16.484 -6.092 1.00 3.43 H new ATOM 0 HD3 LYS A 33 18.836 15.399 -7.436 1.00 3.43 H new ATOM 0 HE2 LYS A 33 20.763 16.518 -8.662 1.00 42.51 H new ATOM 0 HE3 LYS A 33 21.107 17.410 -7.193 1.00 42.51 H new ATOM 0 HZ1 LYS A 33 22.223 15.677 -6.424 1.00 51.33 H new ATOM 0 HZ2 LYS A 33 20.853 14.681 -6.541 1.00 51.33 H new ATOM 0 HZ3 LYS A 33 21.915 14.824 -7.859 1.00 51.33 H new ATOM 532 N THR A 34 18.757 14.711 -9.674 1.00 55.34 N ATOM 533 CA THR A 34 20.071 14.315 -10.164 1.00 73.12 C ATOM 534 C THR A 34 19.992 13.802 -11.598 1.00 14.34 C ATOM 535 O THR A 34 20.981 13.823 -12.331 1.00 22.13 O ATOM 536 CB THR A 34 20.696 13.224 -9.275 1.00 2.04 C ATOM 537 OG1 THR A 34 22.088 13.494 -9.074 1.00 62.34 O ATOM 538 CG2 THR A 34 20.526 11.849 -9.904 1.00 2.43 C ATOM 0 H THR A 34 18.306 14.022 -9.072 1.00 55.34 H new ATOM 0 HA THR A 34 20.701 15.204 -10.133 1.00 73.12 H new ATOM 0 HB THR A 34 20.182 13.232 -8.314 1.00 2.04 H new ATOM 0 HG1 THR A 34 22.478 12.797 -8.506 1.00 62.34 H new ATOM 0 HG21 THR A 34 20.975 11.095 -9.258 1.00 2.43 H new ATOM 0 HG22 THR A 34 19.465 11.634 -10.028 1.00 2.43 H new ATOM 0 HG23 THR A 34 21.016 11.831 -10.877 1.00 2.43 H new ATOM 546 N LEU A 35 18.809 13.343 -11.992 1.00 41.22 N ATOM 547 CA LEU A 35 18.600 12.825 -13.340 1.00 4.31 C ATOM 548 C LEU A 35 18.484 13.964 -14.349 1.00 24.53 C ATOM 549 O LEU A 35 19.272 14.056 -15.291 1.00 21.00 O ATOM 550 CB LEU A 35 17.341 11.958 -13.385 1.00 40.30 C ATOM 551 CG LEU A 35 17.134 11.013 -12.201 1.00 10.31 C ATOM 552 CD1 LEU A 35 15.821 10.259 -12.343 1.00 41.11 C ATOM 553 CD2 LEU A 35 18.299 10.042 -12.084 1.00 23.32 C ATOM 0 H LEU A 35 17.980 13.319 -11.398 1.00 41.22 H new ATOM 0 HA LEU A 35 19.463 12.215 -13.606 1.00 4.31 H new ATOM 0 HB2 LEU A 35 16.474 12.615 -13.456 1.00 40.30 H new ATOM 0 HB3 LEU A 35 17.366 11.364 -14.298 1.00 40.30 H new ATOM 0 HG LEU A 35 17.090 11.608 -11.289 1.00 10.31 H new ATOM 0 HD11 LEU A 35 15.691 9.591 -11.491 1.00 41.11 H new ATOM 0 HD12 LEU A 35 14.995 10.970 -12.377 1.00 41.11 H new ATOM 0 HD13 LEU A 35 15.835 9.675 -13.263 1.00 41.11 H new ATOM 0 HD21 LEU A 35 18.135 9.377 -11.236 1.00 23.32 H new ATOM 0 HD22 LEU A 35 18.375 9.453 -12.998 1.00 23.32 H new ATOM 0 HD23 LEU A 35 19.224 10.599 -11.934 1.00 23.32 H new ATOM 565 N THR A 36 17.498 14.831 -14.144 1.00 73.31 N ATOM 566 CA THR A 36 17.279 15.964 -15.034 1.00 71.44 C ATOM 567 C THR A 36 17.019 17.241 -14.245 1.00 2.44 C ATOM 568 O THR A 36 17.297 18.342 -14.718 1.00 3.53 O ATOM 569 CB THR A 36 16.093 15.711 -15.984 1.00 60.23 C ATOM 570 OG1 THR A 36 15.835 16.881 -16.768 1.00 15.45 O ATOM 571 CG2 THR A 36 14.844 15.332 -15.202 1.00 65.23 C ATOM 0 H THR A 36 16.838 14.770 -13.369 1.00 73.31 H new ATOM 0 HA THR A 36 18.188 16.083 -15.623 1.00 71.44 H new ATOM 0 HB THR A 36 16.354 14.883 -16.643 1.00 60.23 H new ATOM 0 HG1 THR A 36 15.193 16.665 -17.476 1.00 15.45 H new ATOM 0 HG21 THR A 36 14.020 15.158 -15.894 1.00 65.23 H new ATOM 0 HG22 THR A 36 15.035 14.424 -14.630 1.00 65.23 H new ATOM 0 HG23 THR A 36 14.581 16.142 -14.521 1.00 65.23 H new ATOM 579 N GLY A 37 16.484 17.087 -13.037 1.00 44.10 N ATOM 580 CA GLY A 37 16.197 18.238 -12.201 1.00 32.44 C ATOM 581 C GLY A 37 17.451 18.984 -11.790 1.00 74.01 C ATOM 582 O GLY A 37 18.555 18.636 -12.209 1.00 74.32 O ATOM 0 H GLY A 37 16.244 16.186 -12.623 1.00 44.10 H new ATOM 0 HA2 GLY A 37 15.534 18.917 -12.738 1.00 32.44 H new ATOM 0 HA3 GLY A 37 15.664 17.911 -11.308 1.00 32.44 H new ATOM 586 N VAL A 38 17.281 20.015 -10.969 1.00 4.43 N ATOM 587 CA VAL A 38 18.408 20.814 -10.502 1.00 25.32 C ATOM 588 C VAL A 38 18.627 20.633 -9.004 1.00 21.31 C ATOM 589 O VAL A 38 17.674 20.616 -8.224 1.00 1.53 O ATOM 590 CB VAL A 38 18.199 22.310 -10.802 1.00 20.13 C ATOM 591 CG1 VAL A 38 16.765 22.719 -10.500 1.00 45.53 C ATOM 592 CG2 VAL A 38 19.182 23.155 -10.006 1.00 42.11 C ATOM 0 H VAL A 38 16.374 20.317 -10.613 1.00 4.43 H new ATOM 0 HA VAL A 38 19.289 20.463 -11.040 1.00 25.32 H new ATOM 0 HB VAL A 38 18.385 22.480 -11.862 1.00 20.13 H new ATOM 0 HG11 VAL A 38 16.635 23.779 -10.718 1.00 45.53 H new ATOM 0 HG12 VAL A 38 16.082 22.136 -11.118 1.00 45.53 H new ATOM 0 HG13 VAL A 38 16.548 22.536 -9.448 1.00 45.53 H new ATOM 0 HG21 VAL A 38 19.020 24.209 -10.230 1.00 42.11 H new ATOM 0 HG22 VAL A 38 19.030 22.983 -8.940 1.00 42.11 H new ATOM 0 HG23 VAL A 38 20.201 22.879 -10.276 1.00 42.11 H new ATOM 602 N LEU A 39 19.888 20.497 -8.608 1.00 12.21 N ATOM 603 CA LEU A 39 20.233 20.318 -7.202 1.00 20.21 C ATOM 604 C LEU A 39 19.624 21.424 -6.346 1.00 43.02 C ATOM 605 O LEU A 39 19.431 22.554 -6.795 1.00 11.23 O ATOM 606 CB LEU A 39 21.753 20.300 -7.028 1.00 13.43 C ATOM 607 CG LEU A 39 22.545 21.223 -7.954 1.00 40.23 C ATOM 608 CD1 LEU A 39 22.712 20.587 -9.326 1.00 1.44 C ATOM 609 CD2 LEU A 39 21.860 22.577 -8.072 1.00 30.00 C ATOM 0 H LEU A 39 20.688 20.507 -9.241 1.00 12.21 H new ATOM 0 HA LEU A 39 19.824 19.363 -6.872 1.00 20.21 H new ATOM 0 HB2 LEU A 39 21.984 20.568 -5.997 1.00 13.43 H new ATOM 0 HB3 LEU A 39 22.104 19.279 -7.179 1.00 13.43 H new ATOM 0 HG LEU A 39 23.535 21.375 -7.523 1.00 40.23 H new ATOM 0 HD11 LEU A 39 23.278 21.258 -9.972 1.00 1.44 H new ATOM 0 HD12 LEU A 39 23.247 19.642 -9.227 1.00 1.44 H new ATOM 0 HD13 LEU A 39 21.731 20.404 -9.764 1.00 1.44 H new ATOM 0 HD21 LEU A 39 22.438 23.221 -8.735 1.00 30.00 H new ATOM 0 HD22 LEU A 39 20.858 22.443 -8.479 1.00 30.00 H new ATOM 0 HD23 LEU A 39 21.793 23.038 -7.087 1.00 30.00 H new ATOM 621 N PRO A 40 19.316 21.094 -5.083 1.00 64.12 N ATOM 622 CA PRO A 40 18.728 22.046 -4.137 1.00 52.40 C ATOM 623 C PRO A 40 19.714 23.131 -3.717 1.00 22.32 C ATOM 624 O PRO A 40 19.315 24.205 -3.269 1.00 21.25 O ATOM 625 CB PRO A 40 18.353 21.171 -2.939 1.00 23.43 C ATOM 626 CG PRO A 40 19.279 20.006 -3.017 1.00 2.25 C ATOM 627 CD PRO A 40 19.520 19.765 -4.481 1.00 53.42 C ATOM 0 HA PRO A 40 17.884 22.582 -4.571 1.00 52.40 H new ATOM 0 HB2 PRO A 40 18.475 21.711 -2.000 1.00 23.43 H new ATOM 0 HB3 PRO A 40 17.312 20.853 -2.991 1.00 23.43 H new ATOM 0 HG2 PRO A 40 20.214 20.215 -2.497 1.00 2.25 H new ATOM 0 HG3 PRO A 40 18.841 19.127 -2.544 1.00 2.25 H new ATOM 0 HD2 PRO A 40 20.527 19.390 -4.666 1.00 53.42 H new ATOM 0 HD3 PRO A 40 18.826 19.029 -4.887 1.00 53.42 H new ATOM 635 N GLU A 41 21.003 22.842 -3.865 1.00 62.44 N ATOM 636 CA GLU A 41 22.046 23.793 -3.500 1.00 51.34 C ATOM 637 C GLU A 41 21.827 25.134 -4.196 1.00 61.44 C ATOM 638 O GLU A 41 22.059 26.193 -3.614 1.00 21.14 O ATOM 639 CB GLU A 41 23.425 23.237 -3.863 1.00 14.25 C ATOM 640 CG GLU A 41 24.559 24.220 -3.626 1.00 53.33 C ATOM 641 CD GLU A 41 25.685 23.625 -2.803 1.00 53.31 C ATOM 642 OE1 GLU A 41 25.448 23.298 -1.622 1.00 33.23 O ATOM 643 OE2 GLU A 41 26.803 23.487 -3.341 1.00 62.04 O ATOM 0 H GLU A 41 21.350 21.957 -4.235 1.00 62.44 H new ATOM 0 HA GLU A 41 21.998 23.950 -2.422 1.00 51.34 H new ATOM 0 HB2 GLU A 41 23.609 22.335 -3.279 1.00 14.25 H new ATOM 0 HB3 GLU A 41 23.424 22.943 -4.912 1.00 14.25 H new ATOM 0 HG2 GLU A 41 24.953 24.553 -4.586 1.00 53.33 H new ATOM 0 HG3 GLU A 41 24.170 25.102 -3.118 1.00 53.33 H new ATOM 650 N ARG A 42 21.380 25.078 -5.447 1.00 13.23 N ATOM 651 CA ARG A 42 21.131 26.287 -6.223 1.00 62.34 C ATOM 652 C ARG A 42 19.635 26.562 -6.336 1.00 53.25 C ATOM 653 O ARG A 42 19.198 27.709 -6.252 1.00 14.41 O ATOM 654 CB ARG A 42 21.744 26.156 -7.619 1.00 55.32 C ATOM 655 CG ARG A 42 23.184 26.635 -7.700 1.00 11.14 C ATOM 656 CD ARG A 42 24.148 25.473 -7.877 1.00 22.32 C ATOM 657 NE ARG A 42 25.524 25.850 -7.564 1.00 51.42 N ATOM 658 CZ ARG A 42 26.516 24.976 -7.441 1.00 63.15 C ATOM 659 NH1 ARG A 42 26.287 23.680 -7.605 1.00 15.35 N ATOM 660 NH2 ARG A 42 27.742 25.397 -7.156 1.00 33.15 N ATOM 0 H ARG A 42 21.183 24.209 -5.944 1.00 13.23 H new ATOM 0 HA ARG A 42 21.598 27.125 -5.705 1.00 62.34 H new ATOM 0 HB2 ARG A 42 21.699 25.112 -7.929 1.00 55.32 H new ATOM 0 HB3 ARG A 42 21.141 26.725 -8.326 1.00 55.32 H new ATOM 0 HG2 ARG A 42 23.292 27.329 -8.534 1.00 11.14 H new ATOM 0 HG3 ARG A 42 23.437 27.185 -6.793 1.00 11.14 H new ATOM 0 HD2 ARG A 42 23.843 24.648 -7.233 1.00 22.32 H new ATOM 0 HD3 ARG A 42 24.096 25.112 -8.904 1.00 22.32 H new ATOM 0 HE ARG A 42 25.734 26.839 -7.433 1.00 51.42 H new ATOM 0 HH11 ARG A 42 25.347 23.352 -7.826 1.00 15.35 H new ATOM 0 HH12 ARG A 42 27.051 23.011 -7.510 1.00 15.35 H new ATOM 0 HH21 ARG A 42 27.923 26.393 -7.031 1.00 33.15 H new ATOM 0 HH22 ARG A 42 28.503 24.725 -7.062 1.00 33.15 H new ATOM 674 N GLN A 43 18.856 25.502 -6.528 1.00 50.35 N ATOM 675 CA GLN A 43 17.409 25.631 -6.654 1.00 60.14 C ATOM 676 C GLN A 43 16.721 25.366 -5.319 1.00 52.24 C ATOM 677 O GLN A 43 17.284 24.720 -4.436 1.00 33.33 O ATOM 678 CB GLN A 43 16.880 24.664 -7.715 1.00 22.41 C ATOM 679 CG GLN A 43 16.557 23.281 -7.171 1.00 2.44 C ATOM 680 CD GLN A 43 15.248 23.246 -6.407 1.00 4.34 C ATOM 681 OE1 GLN A 43 14.204 23.819 -6.994 1.00 63.31 O flip ATOM 682 NE2 GLN A 43 15.176 22.711 -5.300 1.00 61.40 N flip ATOM 0 H GLN A 43 19.202 24.545 -6.600 1.00 50.35 H new ATOM 0 HA GLN A 43 17.186 26.653 -6.961 1.00 60.14 H new ATOM 0 HB2 GLN A 43 15.982 25.087 -8.165 1.00 22.41 H new ATOM 0 HB3 GLN A 43 17.620 24.569 -8.510 1.00 22.41 H new ATOM 0 HG2 GLN A 43 16.510 22.571 -7.997 1.00 2.44 H new ATOM 0 HG3 GLN A 43 17.365 22.955 -6.516 1.00 2.44 H new ATOM 0 HE21 GLN A 43 16.004 22.282 -4.886 1.00 61.40 H new ATOM 0 HE22 GLN A 43 14.289 22.697 -4.797 1.00 61.40 H new ATOM 691 N LYS A 44 15.500 25.871 -5.179 1.00 34.52 N ATOM 692 CA LYS A 44 14.733 25.689 -3.952 1.00 73.41 C ATOM 693 C LYS A 44 13.338 25.150 -4.257 1.00 3.41 C ATOM 694 O LYS A 44 12.703 25.559 -5.230 1.00 12.55 O ATOM 695 CB LYS A 44 14.625 27.013 -3.192 1.00 60.34 C ATOM 696 CG LYS A 44 13.936 28.113 -3.982 1.00 23.53 C ATOM 697 CD LYS A 44 12.429 28.073 -3.794 1.00 10.50 C ATOM 698 CE LYS A 44 11.868 29.456 -3.498 1.00 41.03 C ATOM 699 NZ LYS A 44 11.957 30.355 -4.682 1.00 2.52 N ATOM 0 H LYS A 44 15.020 26.410 -5.900 1.00 34.52 H new ATOM 0 HA LYS A 44 15.256 24.962 -3.331 1.00 73.41 H new ATOM 0 HB2 LYS A 44 14.078 26.846 -2.264 1.00 60.34 H new ATOM 0 HB3 LYS A 44 15.625 27.347 -2.917 1.00 60.34 H new ATOM 0 HG2 LYS A 44 14.318 29.084 -3.665 1.00 23.53 H new ATOM 0 HG3 LYS A 44 14.175 28.007 -5.040 1.00 23.53 H new ATOM 0 HD2 LYS A 44 11.959 27.673 -4.693 1.00 10.50 H new ATOM 0 HD3 LYS A 44 12.181 27.396 -2.977 1.00 10.50 H new ATOM 0 HE2 LYS A 44 10.827 29.367 -3.187 1.00 41.03 H new ATOM 0 HE3 LYS A 44 12.413 29.898 -2.664 1.00 41.03 H new ATOM 0 HZ1 LYS A 44 11.565 31.287 -4.440 1.00 2.52 H new ATOM 0 HZ2 LYS A 44 12.953 30.461 -4.964 1.00 2.52 H new ATOM 0 HZ3 LYS A 44 11.416 29.946 -5.470 1.00 2.52 H new ATOM 713 N LEU A 45 12.867 24.233 -3.420 1.00 24.23 N ATOM 714 CA LEU A 45 11.547 23.640 -3.599 1.00 33.42 C ATOM 715 C LEU A 45 10.450 24.680 -3.396 1.00 43.43 C ATOM 716 O LEU A 45 10.494 25.468 -2.450 1.00 34.52 O ATOM 717 CB LEU A 45 11.351 22.479 -2.622 1.00 74.20 C ATOM 718 CG LEU A 45 12.090 21.184 -2.961 1.00 4.23 C ATOM 719 CD1 LEU A 45 11.764 20.738 -4.377 1.00 71.24 C ATOM 720 CD2 LEU A 45 13.591 21.367 -2.790 1.00 4.41 C ATOM 0 H LEU A 45 13.380 23.884 -2.610 1.00 24.23 H new ATOM 0 HA LEU A 45 11.481 23.264 -4.620 1.00 33.42 H new ATOM 0 HB2 LEU A 45 11.668 22.806 -1.632 1.00 74.20 H new ATOM 0 HB3 LEU A 45 10.285 22.260 -2.559 1.00 74.20 H new ATOM 0 HG LEU A 45 11.757 20.407 -2.272 1.00 4.23 H new ATOM 0 HD11 LEU A 45 12.299 19.815 -4.600 1.00 71.24 H new ATOM 0 HD12 LEU A 45 10.691 20.566 -4.467 1.00 71.24 H new ATOM 0 HD13 LEU A 45 12.067 21.513 -5.081 1.00 71.24 H new ATOM 0 HD21 LEU A 45 14.101 20.436 -3.035 1.00 4.41 H new ATOM 0 HD22 LEU A 45 13.939 22.158 -3.455 1.00 4.41 H new ATOM 0 HD23 LEU A 45 13.809 21.639 -1.757 1.00 4.41 H new ATOM 732 N LEU A 46 9.467 24.678 -4.290 1.00 21.34 N ATOM 733 CA LEU A 46 8.357 25.620 -4.208 1.00 53.42 C ATOM 734 C LEU A 46 7.377 25.215 -3.111 1.00 64.24 C ATOM 735 O LEU A 46 7.306 25.853 -2.062 1.00 32.31 O ATOM 736 CB LEU A 46 7.630 25.701 -5.552 1.00 65.30 C ATOM 737 CG LEU A 46 8.314 26.536 -6.635 1.00 53.03 C ATOM 738 CD1 LEU A 46 8.561 27.953 -6.140 1.00 62.44 C ATOM 739 CD2 LEU A 46 9.619 25.884 -7.067 1.00 42.33 C ATOM 0 H LEU A 46 9.416 24.034 -5.080 1.00 21.34 H new ATOM 0 HA LEU A 46 8.764 26.601 -3.962 1.00 53.42 H new ATOM 0 HB2 LEU A 46 7.497 24.688 -5.932 1.00 65.30 H new ATOM 0 HB3 LEU A 46 6.635 26.110 -5.380 1.00 65.30 H new ATOM 0 HG LEU A 46 7.653 26.586 -7.500 1.00 53.03 H new ATOM 0 HD11 LEU A 46 9.048 28.533 -6.924 1.00 62.44 H new ATOM 0 HD12 LEU A 46 7.610 28.419 -5.882 1.00 62.44 H new ATOM 0 HD13 LEU A 46 9.202 27.924 -5.259 1.00 62.44 H new ATOM 0 HD21 LEU A 46 10.092 26.492 -7.838 1.00 42.33 H new ATOM 0 HD22 LEU A 46 10.286 25.803 -6.209 1.00 42.33 H new ATOM 0 HD23 LEU A 46 9.415 24.889 -7.464 1.00 42.33 H new ATOM 751 N GLY A 47 6.625 24.147 -3.362 1.00 3.14 N ATOM 752 CA GLY A 47 5.662 23.673 -2.385 1.00 53.24 C ATOM 753 C GLY A 47 6.191 22.515 -1.563 1.00 3.42 C ATOM 754 O GLY A 47 5.637 21.416 -1.596 1.00 21.13 O ATOM 0 H GLY A 47 6.666 23.602 -4.223 1.00 3.14 H new ATOM 0 HA2 GLY A 47 5.391 24.493 -1.720 1.00 53.24 H new ATOM 0 HA3 GLY A 47 4.751 23.364 -2.898 1.00 53.24 H new ATOM 758 N LEU A 48 7.268 22.760 -0.824 1.00 12.40 N ATOM 759 CA LEU A 48 7.874 21.729 0.010 1.00 23.32 C ATOM 760 C LEU A 48 6.869 21.184 1.020 1.00 51.12 C ATOM 761 O LEU A 48 7.049 20.095 1.566 1.00 14.52 O ATOM 762 CB LEU A 48 9.096 22.289 0.741 1.00 32.21 C ATOM 763 CG LEU A 48 8.837 23.477 1.667 1.00 0.45 C ATOM 764 CD1 LEU A 48 8.411 22.997 3.046 1.00 72.10 C ATOM 765 CD2 LEU A 48 10.076 24.356 1.766 1.00 15.13 C ATOM 0 H LEU A 48 7.739 23.664 -0.786 1.00 12.40 H new ATOM 0 HA LEU A 48 8.189 20.911 -0.638 1.00 23.32 H new ATOM 0 HB2 LEU A 48 9.542 21.487 1.328 1.00 32.21 H new ATOM 0 HB3 LEU A 48 9.834 22.588 -0.003 1.00 32.21 H new ATOM 0 HG LEU A 48 8.026 24.071 1.245 1.00 0.45 H new ATOM 0 HD11 LEU A 48 8.231 23.857 3.691 1.00 72.10 H new ATOM 0 HD12 LEU A 48 7.497 22.410 2.961 1.00 72.10 H new ATOM 0 HD13 LEU A 48 9.200 22.380 3.476 1.00 72.10 H new ATOM 0 HD21 LEU A 48 9.873 25.197 2.429 1.00 15.13 H new ATOM 0 HD22 LEU A 48 10.906 23.772 2.164 1.00 15.13 H new ATOM 0 HD23 LEU A 48 10.337 24.730 0.776 1.00 15.13 H new ATOM 777 N LYS A 49 5.809 21.947 1.262 1.00 53.52 N ATOM 778 CA LYS A 49 4.772 21.541 2.203 1.00 55.32 C ATOM 779 C LYS A 49 3.476 21.205 1.472 1.00 34.31 C ATOM 780 O LYS A 49 3.131 21.838 0.474 1.00 24.11 O ATOM 781 CB LYS A 49 4.519 22.651 3.226 1.00 42.12 C ATOM 782 CG LYS A 49 4.977 24.023 2.761 1.00 60.42 C ATOM 783 CD LYS A 49 4.509 25.117 3.705 1.00 33.24 C ATOM 784 CE LYS A 49 5.675 25.946 4.220 1.00 44.24 C ATOM 785 NZ LYS A 49 6.372 25.280 5.355 1.00 70.24 N ATOM 0 H LYS A 49 5.645 22.851 0.819 1.00 53.52 H new ATOM 0 HA LYS A 49 5.118 20.648 2.723 1.00 55.32 H new ATOM 0 HB2 LYS A 49 3.453 22.690 3.451 1.00 42.12 H new ATOM 0 HB3 LYS A 49 5.032 22.401 4.155 1.00 42.12 H new ATOM 0 HG2 LYS A 49 6.065 24.041 2.693 1.00 60.42 H new ATOM 0 HG3 LYS A 49 4.592 24.216 1.760 1.00 60.42 H new ATOM 0 HD2 LYS A 49 3.800 25.765 3.189 1.00 33.24 H new ATOM 0 HD3 LYS A 49 3.979 24.671 4.546 1.00 33.24 H new ATOM 0 HE2 LYS A 49 6.384 26.118 3.410 1.00 44.24 H new ATOM 0 HE3 LYS A 49 5.312 26.923 4.540 1.00 44.24 H new ATOM 0 HZ1 LYS A 49 7.229 25.817 5.599 1.00 70.24 H new ATOM 0 HZ2 LYS A 49 5.738 25.245 6.179 1.00 70.24 H new ATOM 0 HZ3 LYS A 49 6.636 24.312 5.080 1.00 70.24 H new ATOM 799 N VAL A 50 2.760 20.205 1.977 1.00 74.34 N ATOM 800 CA VAL A 50 1.500 19.786 1.373 1.00 20.13 C ATOM 801 C VAL A 50 0.495 19.361 2.438 1.00 2.01 C ATOM 802 O VAL A 50 0.867 18.808 3.473 1.00 11.15 O ATOM 803 CB VAL A 50 1.710 18.621 0.387 1.00 12.42 C ATOM 804 CG1 VAL A 50 2.144 17.366 1.128 1.00 61.10 C ATOM 805 CG2 VAL A 50 0.441 18.366 -0.413 1.00 4.40 C ATOM 0 H VAL A 50 3.031 19.670 2.802 1.00 74.34 H new ATOM 0 HA VAL A 50 1.108 20.646 0.830 1.00 20.13 H new ATOM 0 HB VAL A 50 2.503 18.895 -0.309 1.00 12.42 H new ATOM 0 HG11 VAL A 50 2.287 16.554 0.415 1.00 61.10 H new ATOM 0 HG12 VAL A 50 3.080 17.558 1.652 1.00 61.10 H new ATOM 0 HG13 VAL A 50 1.376 17.085 1.849 1.00 61.10 H new ATOM 0 HG21 VAL A 50 0.607 17.540 -1.105 1.00 4.40 H new ATOM 0 HG22 VAL A 50 -0.373 18.113 0.267 1.00 4.40 H new ATOM 0 HG23 VAL A 50 0.179 19.263 -0.975 1.00 4.40 H new ATOM 815 N LYS A 51 -0.781 19.622 2.177 1.00 11.41 N ATOM 816 CA LYS A 51 -1.842 19.266 3.111 1.00 13.05 C ATOM 817 C LYS A 51 -1.573 19.857 4.492 1.00 62.52 C ATOM 818 O LYS A 51 -1.941 19.273 5.510 1.00 30.41 O ATOM 819 CB LYS A 51 -1.971 17.744 3.212 1.00 13.43 C ATOM 820 CG LYS A 51 -2.212 17.065 1.876 1.00 72.53 C ATOM 821 CD LYS A 51 -3.553 16.351 1.847 1.00 55.25 C ATOM 822 CE LYS A 51 -3.568 15.234 0.814 1.00 15.22 C ATOM 823 NZ LYS A 51 -4.867 14.505 0.805 1.00 62.02 N ATOM 0 H LYS A 51 -1.106 20.079 1.325 1.00 11.41 H new ATOM 0 HA LYS A 51 -2.777 19.680 2.734 1.00 13.05 H new ATOM 0 HB2 LYS A 51 -1.062 17.339 3.657 1.00 13.43 H new ATOM 0 HB3 LYS A 51 -2.792 17.501 3.887 1.00 13.43 H new ATOM 0 HG2 LYS A 51 -2.177 17.807 1.078 1.00 72.53 H new ATOM 0 HG3 LYS A 51 -1.413 16.349 1.681 1.00 72.53 H new ATOM 0 HD2 LYS A 51 -3.768 15.939 2.833 1.00 55.25 H new ATOM 0 HD3 LYS A 51 -4.343 17.067 1.621 1.00 55.25 H new ATOM 0 HE2 LYS A 51 -3.379 15.651 -0.175 1.00 15.22 H new ATOM 0 HE3 LYS A 51 -2.760 14.534 1.024 1.00 15.22 H new ATOM 0 HZ1 LYS A 51 -4.838 13.752 0.088 1.00 62.02 H new ATOM 0 HZ2 LYS A 51 -5.036 14.085 1.741 1.00 62.02 H new ATOM 0 HZ3 LYS A 51 -5.636 15.168 0.579 1.00 62.02 H new ATOM 837 N GLY A 52 -0.929 21.020 4.518 1.00 63.52 N ATOM 838 CA GLY A 52 -0.623 21.670 5.778 1.00 24.14 C ATOM 839 C GLY A 52 0.628 21.114 6.429 1.00 23.52 C ATOM 840 O GLY A 52 1.139 21.680 7.396 1.00 63.23 O ATOM 0 H GLY A 52 -0.614 21.523 3.689 1.00 63.52 H new ATOM 0 HA2 GLY A 52 -0.497 22.740 5.610 1.00 24.14 H new ATOM 0 HA3 GLY A 52 -1.466 21.552 6.458 1.00 24.14 H new ATOM 844 N LYS A 53 1.123 20.000 5.900 1.00 21.41 N ATOM 845 CA LYS A 53 2.322 19.365 6.435 1.00 72.21 C ATOM 846 C LYS A 53 3.580 20.050 5.911 1.00 20.41 C ATOM 847 O LYS A 53 3.602 20.605 4.813 1.00 53.53 O ATOM 848 CB LYS A 53 2.345 17.880 6.066 1.00 63.22 C ATOM 849 CG LYS A 53 1.295 17.056 6.791 1.00 40.11 C ATOM 850 CD LYS A 53 1.553 17.017 8.288 1.00 70.42 C ATOM 851 CE LYS A 53 0.324 17.441 9.077 1.00 73.14 C ATOM 852 NZ LYS A 53 0.678 17.911 10.445 1.00 55.35 N ATOM 0 H LYS A 53 0.712 19.518 5.101 1.00 21.41 H new ATOM 0 HA LYS A 53 2.302 19.463 7.520 1.00 72.21 H new ATOM 0 HB2 LYS A 53 2.195 17.779 4.991 1.00 63.22 H new ATOM 0 HB3 LYS A 53 3.331 17.474 6.290 1.00 63.22 H new ATOM 0 HG2 LYS A 53 0.307 17.476 6.602 1.00 40.11 H new ATOM 0 HG3 LYS A 53 1.291 16.041 6.395 1.00 40.11 H new ATOM 0 HD2 LYS A 53 1.845 16.009 8.582 1.00 70.42 H new ATOM 0 HD3 LYS A 53 2.388 17.674 8.532 1.00 70.42 H new ATOM 0 HE2 LYS A 53 -0.194 18.237 8.542 1.00 73.14 H new ATOM 0 HE3 LYS A 53 -0.368 16.602 9.149 1.00 73.14 H new ATOM 0 HZ1 LYS A 53 -0.187 18.191 10.951 1.00 55.35 H new ATOM 0 HZ2 LYS A 53 1.150 17.143 10.965 1.00 55.35 H new ATOM 0 HZ3 LYS A 53 1.319 18.727 10.377 1.00 55.35 H new ATOM 866 N PRO A 54 4.654 20.009 6.713 1.00 65.11 N ATOM 867 CA PRO A 54 5.937 20.619 6.350 1.00 51.04 C ATOM 868 C PRO A 54 6.633 19.874 5.216 1.00 71.21 C ATOM 869 O PRO A 54 7.326 20.477 4.397 1.00 12.22 O ATOM 870 CB PRO A 54 6.756 20.517 7.639 1.00 41.03 C ATOM 871 CG PRO A 54 6.166 19.362 8.372 1.00 11.52 C ATOM 872 CD PRO A 54 4.700 19.364 8.036 1.00 63.43 C ATOM 0 HA PRO A 54 5.815 21.639 5.986 1.00 51.04 H new ATOM 0 HB2 PRO A 54 7.812 20.352 7.425 1.00 41.03 H new ATOM 0 HB3 PRO A 54 6.688 21.434 8.225 1.00 41.03 H new ATOM 0 HG2 PRO A 54 6.635 18.426 8.068 1.00 11.52 H new ATOM 0 HG3 PRO A 54 6.320 19.462 9.446 1.00 11.52 H new ATOM 0 HD2 PRO A 54 4.294 18.353 8.005 1.00 63.43 H new ATOM 0 HD3 PRO A 54 4.119 19.918 8.774 1.00 63.43 H new ATOM 880 N ALA A 55 6.443 18.559 5.174 1.00 4.01 N ATOM 881 CA ALA A 55 7.051 17.732 4.139 1.00 42.11 C ATOM 882 C ALA A 55 8.441 18.243 3.773 1.00 14.33 C ATOM 883 O ALA A 55 8.789 18.330 2.597 1.00 44.54 O ATOM 884 CB ALA A 55 6.161 17.691 2.906 1.00 74.30 C ATOM 0 H ALA A 55 5.873 18.044 5.845 1.00 4.01 H new ATOM 0 HA ALA A 55 7.156 16.721 4.532 1.00 42.11 H new ATOM 0 HB1 ALA A 55 6.627 17.070 2.141 1.00 74.30 H new ATOM 0 HB2 ALA A 55 5.190 17.272 3.172 1.00 74.30 H new ATOM 0 HB3 ALA A 55 6.027 18.702 2.520 1.00 74.30 H new ATOM 890 N GLU A 56 9.229 18.580 4.790 1.00 55.54 N ATOM 891 CA GLU A 56 10.580 19.085 4.573 1.00 35.32 C ATOM 892 C GLU A 56 11.426 18.066 3.816 1.00 73.55 C ATOM 893 O GLU A 56 11.681 18.220 2.622 1.00 20.21 O ATOM 894 CB GLU A 56 11.243 19.421 5.911 1.00 54.05 C ATOM 895 CG GLU A 56 12.594 20.100 5.766 1.00 22.20 C ATOM 896 CD GLU A 56 12.596 21.518 6.304 1.00 75.41 C ATOM 897 OE1 GLU A 56 12.254 22.443 5.539 1.00 42.43 O ATOM 898 OE2 GLU A 56 12.938 21.701 7.491 1.00 71.30 O ATOM 0 H GLU A 56 8.956 18.513 5.770 1.00 55.54 H new ATOM 0 HA GLU A 56 10.510 19.992 3.972 1.00 35.32 H new ATOM 0 HB2 GLU A 56 10.579 20.069 6.483 1.00 54.05 H new ATOM 0 HB3 GLU A 56 11.367 18.504 6.486 1.00 54.05 H new ATOM 0 HG2 GLU A 56 13.349 19.515 6.292 1.00 22.20 H new ATOM 0 HG3 GLU A 56 12.878 20.114 4.714 1.00 22.20 H new ATOM 905 N ASN A 57 11.858 17.024 4.519 1.00 10.12 N ATOM 906 CA ASN A 57 12.676 15.980 3.914 1.00 25.42 C ATOM 907 C ASN A 57 12.641 14.706 4.753 1.00 11.15 C ATOM 908 O ASN A 57 12.626 13.598 4.218 1.00 64.41 O ATOM 909 CB ASN A 57 14.121 16.461 3.758 1.00 75.30 C ATOM 910 CG ASN A 57 14.478 17.549 4.752 1.00 61.21 C ATOM 911 OD1 ASN A 57 14.650 18.710 4.382 1.00 4.42 O ATOM 912 ND2 ASN A 57 14.592 17.176 6.021 1.00 13.34 N ATOM 0 H ASN A 57 11.655 16.880 5.508 1.00 10.12 H new ATOM 0 HA ASN A 57 12.265 15.757 2.929 1.00 25.42 H new ATOM 0 HB2 ASN A 57 14.798 15.617 3.888 1.00 75.30 H new ATOM 0 HB3 ASN A 57 14.269 16.835 2.745 1.00 75.30 H new ATOM 0 HD21 ASN A 57 14.831 17.864 6.735 1.00 13.34 H new ATOM 0 HD22 ASN A 57 14.440 16.202 6.282 1.00 13.34 H new ATOM 919 N ASP A 58 12.627 14.873 6.071 1.00 35.13 N ATOM 920 CA ASP A 58 12.591 13.737 6.985 1.00 12.35 C ATOM 921 C ASP A 58 11.263 12.994 6.877 1.00 11.23 C ATOM 922 O ASP A 58 11.096 11.914 7.444 1.00 11.22 O ATOM 923 CB ASP A 58 12.811 14.206 8.424 1.00 2.44 C ATOM 924 CG ASP A 58 12.927 13.051 9.399 1.00 71.21 C ATOM 925 OD1 ASP A 58 13.214 11.922 8.949 1.00 41.24 O ATOM 926 OD2 ASP A 58 12.729 13.275 10.612 1.00 64.13 O ATOM 0 H ASP A 58 12.640 15.784 6.530 1.00 35.13 H new ATOM 0 HA ASP A 58 13.393 13.053 6.707 1.00 12.35 H new ATOM 0 HB2 ASP A 58 13.717 14.810 8.471 1.00 2.44 H new ATOM 0 HB3 ASP A 58 11.983 14.849 8.724 1.00 2.44 H new ATOM 931 N VAL A 59 10.320 13.581 6.146 1.00 22.43 N ATOM 932 CA VAL A 59 9.007 12.974 5.964 1.00 52.53 C ATOM 933 C VAL A 59 9.055 11.863 4.922 1.00 72.43 C ATOM 934 O VAL A 59 9.803 11.941 3.947 1.00 4.14 O ATOM 935 CB VAL A 59 7.961 14.020 5.535 1.00 53.45 C ATOM 936 CG1 VAL A 59 6.562 13.425 5.576 1.00 33.21 C ATOM 937 CG2 VAL A 59 8.050 15.256 6.418 1.00 74.32 C ATOM 0 H VAL A 59 10.441 14.475 5.671 1.00 22.43 H new ATOM 0 HA VAL A 59 8.716 12.553 6.926 1.00 52.53 H new ATOM 0 HB VAL A 59 8.172 14.319 4.508 1.00 53.45 H new ATOM 0 HG11 VAL A 59 5.837 14.179 5.270 1.00 33.21 H new ATOM 0 HG12 VAL A 59 6.509 12.574 4.898 1.00 33.21 H new ATOM 0 HG13 VAL A 59 6.336 13.095 6.590 1.00 33.21 H new ATOM 0 HG21 VAL A 59 7.304 15.984 6.101 1.00 74.32 H new ATOM 0 HG22 VAL A 59 7.866 14.976 7.455 1.00 74.32 H new ATOM 0 HG23 VAL A 59 9.044 15.694 6.332 1.00 74.32 H new ATOM 947 N LYS A 60 8.250 10.826 5.133 1.00 43.41 N ATOM 948 CA LYS A 60 8.198 9.697 4.212 1.00 42.43 C ATOM 949 C LYS A 60 7.149 9.927 3.128 1.00 3.13 C ATOM 950 O LYS A 60 6.154 10.619 3.350 1.00 63.41 O ATOM 951 CB LYS A 60 7.887 8.406 4.972 1.00 2.20 C ATOM 952 CG LYS A 60 8.984 7.989 5.937 1.00 54.31 C ATOM 953 CD LYS A 60 8.904 6.508 6.266 1.00 74.04 C ATOM 954 CE LYS A 60 8.487 6.279 7.710 1.00 12.44 C ATOM 955 NZ LYS A 60 7.686 5.033 7.866 1.00 1.52 N ATOM 0 H LYS A 60 7.624 10.745 5.935 1.00 43.41 H new ATOM 0 HA LYS A 60 9.174 9.604 3.735 1.00 42.43 H new ATOM 0 HB2 LYS A 60 6.957 8.535 5.526 1.00 2.20 H new ATOM 0 HB3 LYS A 60 7.721 7.603 4.254 1.00 2.20 H new ATOM 0 HG2 LYS A 60 9.958 8.214 5.502 1.00 54.31 H new ATOM 0 HG3 LYS A 60 8.903 8.571 6.855 1.00 54.31 H new ATOM 0 HD2 LYS A 60 8.190 6.024 5.599 1.00 74.04 H new ATOM 0 HD3 LYS A 60 9.873 6.042 6.088 1.00 74.04 H new ATOM 0 HE2 LYS A 60 9.375 6.221 8.339 1.00 12.44 H new ATOM 0 HE3 LYS A 60 7.904 7.131 8.059 1.00 12.44 H new ATOM 0 HZ1 LYS A 60 7.421 4.913 8.865 1.00 1.52 H new ATOM 0 HZ2 LYS A 60 6.826 5.098 7.285 1.00 1.52 H new ATOM 0 HZ3 LYS A 60 8.251 4.216 7.557 1.00 1.52 H new ATOM 969 N LEU A 61 7.377 9.342 1.957 1.00 1.54 N ATOM 970 CA LEU A 61 6.450 9.482 0.839 1.00 4.14 C ATOM 971 C LEU A 61 5.021 9.180 1.276 1.00 34.32 C ATOM 972 O LEU A 61 4.096 9.933 0.973 1.00 32.55 O ATOM 973 CB LEU A 61 6.855 8.549 -0.303 1.00 51.24 C ATOM 974 CG LEU A 61 8.343 8.525 -0.656 1.00 14.23 C ATOM 975 CD1 LEU A 61 8.597 7.599 -1.835 1.00 0.11 C ATOM 976 CD2 LEU A 61 8.841 9.930 -0.961 1.00 41.13 C ATOM 0 H LEU A 61 8.195 8.767 1.757 1.00 1.54 H new ATOM 0 HA LEU A 61 6.492 10.514 0.490 1.00 4.14 H new ATOM 0 HB2 LEU A 61 6.547 7.536 -0.044 1.00 51.24 H new ATOM 0 HB3 LEU A 61 6.295 8.834 -1.194 1.00 51.24 H new ATOM 0 HG LEU A 61 8.895 8.144 0.203 1.00 14.23 H new ATOM 0 HD11 LEU A 61 9.661 7.595 -2.072 1.00 0.11 H new ATOM 0 HD12 LEU A 61 8.278 6.589 -1.579 1.00 0.11 H new ATOM 0 HD13 LEU A 61 8.034 7.949 -2.700 1.00 0.11 H new ATOM 0 HD21 LEU A 61 9.902 9.894 -1.210 1.00 41.13 H new ATOM 0 HD22 LEU A 61 8.284 10.338 -1.804 1.00 41.13 H new ATOM 0 HD23 LEU A 61 8.695 10.565 -0.088 1.00 41.13 H new ATOM 988 N GLY A 62 4.847 8.073 1.992 1.00 24.31 N ATOM 989 CA GLY A 62 3.528 7.691 2.461 1.00 50.41 C ATOM 990 C GLY A 62 3.086 8.497 3.666 1.00 12.13 C ATOM 991 O GLY A 62 1.919 8.457 4.054 1.00 34.51 O ATOM 0 H GLY A 62 5.597 7.434 2.256 1.00 24.31 H new ATOM 0 HA2 GLY A 62 2.807 7.823 1.655 1.00 50.41 H new ATOM 0 HA3 GLY A 62 3.529 6.631 2.717 1.00 50.41 H new ATOM 995 N ALA A 63 4.021 9.230 4.261 1.00 11.25 N ATOM 996 CA ALA A 63 3.721 10.049 5.430 1.00 63.14 C ATOM 997 C ALA A 63 3.040 11.352 5.026 1.00 3.44 C ATOM 998 O ALA A 63 2.213 11.888 5.766 1.00 25.41 O ATOM 999 CB ALA A 63 4.993 10.336 6.213 1.00 5.22 C ATOM 0 H ALA A 63 4.992 9.274 3.953 1.00 11.25 H new ATOM 0 HA ALA A 63 3.033 9.493 6.067 1.00 63.14 H new ATOM 0 HB1 ALA A 63 4.755 10.948 7.083 1.00 5.22 H new ATOM 0 HB2 ALA A 63 5.438 9.397 6.541 1.00 5.22 H new ATOM 0 HB3 ALA A 63 5.699 10.869 5.577 1.00 5.22 H new ATOM 1005 N LEU A 64 3.393 11.859 3.850 1.00 11.22 N ATOM 1006 CA LEU A 64 2.816 13.102 3.348 1.00 32.44 C ATOM 1007 C LEU A 64 1.415 12.866 2.793 1.00 31.00 C ATOM 1008 O LEU A 64 0.599 13.786 2.725 1.00 22.30 O ATOM 1009 CB LEU A 64 3.712 13.702 2.264 1.00 3.02 C ATOM 1010 CG LEU A 64 5.206 13.395 2.382 1.00 13.43 C ATOM 1011 CD1 LEU A 64 5.732 12.798 1.087 1.00 71.53 C ATOM 1012 CD2 LEU A 64 5.981 14.653 2.745 1.00 4.30 C ATOM 0 H LEU A 64 4.076 11.429 3.226 1.00 11.22 H new ATOM 0 HA LEU A 64 2.744 13.803 4.180 1.00 32.44 H new ATOM 0 HB2 LEU A 64 3.364 13.346 1.295 1.00 3.02 H new ATOM 0 HB3 LEU A 64 3.582 14.784 2.271 1.00 3.02 H new ATOM 0 HG LEU A 64 5.346 12.663 3.178 1.00 13.43 H new ATOM 0 HD11 LEU A 64 6.796 12.586 1.190 1.00 71.53 H new ATOM 0 HD12 LEU A 64 5.197 11.873 0.869 1.00 71.53 H new ATOM 0 HD13 LEU A 64 5.580 13.506 0.272 1.00 71.53 H new ATOM 0 HD21 LEU A 64 7.042 14.416 2.825 1.00 4.30 H new ATOM 0 HD22 LEU A 64 5.835 15.407 1.971 1.00 4.30 H new ATOM 0 HD23 LEU A 64 5.622 15.039 3.699 1.00 4.30 H new ATOM 1024 N LYS A 65 1.141 11.627 2.399 1.00 41.14 N ATOM 1025 CA LYS A 65 -0.162 11.268 1.852 1.00 32.12 C ATOM 1026 C LYS A 65 -0.432 12.016 0.551 1.00 44.43 C ATOM 1027 O LYS A 65 -1.561 12.427 0.281 1.00 32.11 O ATOM 1028 CB LYS A 65 -1.266 11.575 2.867 1.00 23.32 C ATOM 1029 CG LYS A 65 -0.965 11.065 4.266 1.00 64.31 C ATOM 1030 CD LYS A 65 -0.968 9.546 4.319 1.00 55.15 C ATOM 1031 CE LYS A 65 -0.580 9.035 5.697 1.00 0.35 C ATOM 1032 NZ LYS A 65 -1.706 9.142 6.666 1.00 0.31 N ATOM 0 H LYS A 65 1.805 10.854 2.448 1.00 41.14 H new ATOM 0 HA LYS A 65 -0.157 10.199 1.641 1.00 32.12 H new ATOM 0 HB2 LYS A 65 -1.421 12.653 2.908 1.00 23.32 H new ATOM 0 HB3 LYS A 65 -2.200 11.132 2.521 1.00 23.32 H new ATOM 0 HG2 LYS A 65 0.006 11.439 4.589 1.00 64.31 H new ATOM 0 HG3 LYS A 65 -1.706 11.456 4.964 1.00 64.31 H new ATOM 0 HD2 LYS A 65 -1.959 9.174 4.058 1.00 55.15 H new ATOM 0 HD3 LYS A 65 -0.274 9.154 3.576 1.00 55.15 H new ATOM 0 HE2 LYS A 65 -0.263 7.995 5.622 1.00 0.35 H new ATOM 0 HE3 LYS A 65 0.273 9.603 6.068 1.00 0.35 H new ATOM 0 HZ1 LYS A 65 -1.401 8.784 7.593 1.00 0.31 H new ATOM 0 HZ2 LYS A 65 -1.992 10.138 6.757 1.00 0.31 H new ATOM 0 HZ3 LYS A 65 -2.512 8.580 6.325 1.00 0.31 H new ATOM 1046 N LEU A 66 0.611 12.190 -0.253 1.00 65.55 N ATOM 1047 CA LEU A 66 0.487 12.887 -1.528 1.00 50.54 C ATOM 1048 C LEU A 66 0.131 11.916 -2.649 1.00 31.42 C ATOM 1049 O LEU A 66 0.464 10.732 -2.588 1.00 32.21 O ATOM 1050 CB LEU A 66 1.790 13.615 -1.864 1.00 24.43 C ATOM 1051 CG LEU A 66 1.778 15.133 -1.682 1.00 30.22 C ATOM 1052 CD1 LEU A 66 3.161 15.712 -1.937 1.00 12.25 C ATOM 1053 CD2 LEU A 66 0.751 15.772 -2.605 1.00 44.14 C ATOM 0 H LEU A 66 1.553 11.858 -0.044 1.00 65.55 H new ATOM 0 HA LEU A 66 -0.317 13.617 -1.436 1.00 50.54 H new ATOM 0 HB2 LEU A 66 2.584 13.201 -1.243 1.00 24.43 H new ATOM 0 HB3 LEU A 66 2.048 13.396 -2.900 1.00 24.43 H new ATOM 0 HG LEU A 66 1.499 15.355 -0.652 1.00 30.22 H new ATOM 0 HD11 LEU A 66 3.133 16.793 -1.803 1.00 12.25 H new ATOM 0 HD12 LEU A 66 3.872 15.277 -1.235 1.00 12.25 H new ATOM 0 HD13 LEU A 66 3.470 15.481 -2.956 1.00 12.25 H new ATOM 0 HD21 LEU A 66 0.756 16.853 -2.462 1.00 44.14 H new ATOM 0 HD22 LEU A 66 1.000 15.542 -3.641 1.00 44.14 H new ATOM 0 HD23 LEU A 66 -0.240 15.380 -2.374 1.00 44.14 H new ATOM 1065 N LYS A 67 -0.546 12.424 -3.673 1.00 33.32 N ATOM 1066 CA LYS A 67 -0.945 11.603 -4.810 1.00 32.32 C ATOM 1067 C LYS A 67 0.271 11.174 -5.624 1.00 71.25 C ATOM 1068 O LYS A 67 1.345 11.770 -5.542 1.00 21.33 O ATOM 1069 CB LYS A 67 -1.924 12.370 -5.701 1.00 13.31 C ATOM 1070 CG LYS A 67 -3.376 11.976 -5.490 1.00 0.20 C ATOM 1071 CD LYS A 67 -3.931 12.560 -4.202 1.00 2.24 C ATOM 1072 CE LYS A 67 -4.066 11.498 -3.121 1.00 51.21 C ATOM 1073 NZ LYS A 67 -5.114 11.852 -2.124 1.00 72.31 N ATOM 0 H LYS A 67 -0.830 13.401 -3.739 1.00 33.32 H new ATOM 0 HA LYS A 67 -1.437 10.709 -4.426 1.00 32.32 H new ATOM 0 HB2 LYS A 67 -1.815 13.438 -5.511 1.00 13.31 H new ATOM 0 HB3 LYS A 67 -1.659 12.203 -6.745 1.00 13.31 H new ATOM 0 HG2 LYS A 67 -3.974 12.321 -6.334 1.00 0.20 H new ATOM 0 HG3 LYS A 67 -3.459 10.889 -5.463 1.00 0.20 H new ATOM 0 HD2 LYS A 67 -3.276 13.357 -3.851 1.00 2.24 H new ATOM 0 HD3 LYS A 67 -4.905 13.010 -4.395 1.00 2.24 H new ATOM 0 HE2 LYS A 67 -4.311 10.541 -3.581 1.00 51.21 H new ATOM 0 HE3 LYS A 67 -3.110 11.373 -2.614 1.00 51.21 H new ATOM 0 HZ1 LYS A 67 -5.175 11.104 -1.404 1.00 72.31 H new ATOM 0 HZ2 LYS A 67 -4.868 12.753 -1.667 1.00 72.31 H new ATOM 0 HZ3 LYS A 67 -6.032 11.947 -2.604 1.00 72.31 H new ATOM 1087 N PRO A 68 0.100 10.116 -6.432 1.00 5.50 N ATOM 1088 CA PRO A 68 1.173 9.586 -7.279 1.00 0.02 C ATOM 1089 C PRO A 68 1.526 10.528 -8.425 1.00 25.03 C ATOM 1090 O PRO A 68 2.686 10.630 -8.821 1.00 64.35 O ATOM 1091 CB PRO A 68 0.584 8.281 -7.821 1.00 43.43 C ATOM 1092 CG PRO A 68 -0.891 8.484 -7.776 1.00 61.14 C ATOM 1093 CD PRO A 68 -1.153 9.358 -6.581 1.00 23.31 C ATOM 0 HA PRO A 68 2.102 9.453 -6.725 1.00 0.02 H new ATOM 0 HB2 PRO A 68 0.926 8.084 -8.837 1.00 43.43 H new ATOM 0 HB3 PRO A 68 0.885 7.428 -7.213 1.00 43.43 H new ATOM 0 HG2 PRO A 68 -1.248 8.957 -8.691 1.00 61.14 H new ATOM 0 HG3 PRO A 68 -1.413 7.532 -7.685 1.00 61.14 H new ATOM 0 HD2 PRO A 68 -2.005 10.018 -6.745 1.00 23.31 H new ATOM 0 HD3 PRO A 68 -1.374 8.767 -5.692 1.00 23.31 H new ATOM 1101 N ASN A 69 0.518 11.215 -8.952 1.00 5.31 N ATOM 1102 CA ASN A 69 0.724 12.149 -10.053 1.00 14.51 C ATOM 1103 C ASN A 69 1.295 13.470 -9.546 1.00 54.43 C ATOM 1104 O ASN A 69 1.805 14.278 -10.323 1.00 53.53 O ATOM 1105 CB ASN A 69 -0.594 12.400 -10.789 1.00 70.43 C ATOM 1106 CG ASN A 69 -1.326 11.113 -11.117 1.00 74.31 C ATOM 1107 OD1 ASN A 69 -2.521 10.980 -10.849 1.00 64.51 O ATOM 1108 ND2 ASN A 69 -0.612 10.157 -11.700 1.00 4.31 N ATOM 0 H ASN A 69 -0.449 11.143 -8.635 1.00 5.31 H new ATOM 0 HA ASN A 69 1.440 11.705 -10.744 1.00 14.51 H new ATOM 0 HB2 ASN A 69 -1.235 13.033 -10.176 1.00 70.43 H new ATOM 0 HB3 ASN A 69 -0.394 12.946 -11.711 1.00 70.43 H new ATOM 0 HD21 ASN A 69 -1.051 9.269 -11.944 1.00 4.31 H new ATOM 0 HD22 ASN A 69 0.376 10.310 -11.904 1.00 4.31 H new ATOM 1115 N THR A 70 1.206 13.684 -8.237 1.00 61.01 N ATOM 1116 CA THR A 70 1.713 14.906 -7.626 1.00 52.20 C ATOM 1117 C THR A 70 2.943 15.421 -8.365 1.00 11.04 C ATOM 1118 O THR A 70 3.953 14.725 -8.471 1.00 0.14 O ATOM 1119 CB THR A 70 2.072 14.686 -6.144 1.00 43.24 C ATOM 1120 OG1 THR A 70 0.888 14.411 -5.388 1.00 54.55 O ATOM 1121 CG2 THR A 70 2.774 15.908 -5.571 1.00 21.12 C ATOM 0 H THR A 70 0.787 13.026 -7.579 1.00 61.01 H new ATOM 0 HA THR A 70 0.916 15.647 -7.693 1.00 52.20 H new ATOM 0 HB THR A 70 2.749 13.834 -6.079 1.00 43.24 H new ATOM 0 HG1 THR A 70 0.838 13.451 -5.196 1.00 54.55 H new ATOM 0 HG21 THR A 70 3.018 15.730 -4.524 1.00 21.12 H new ATOM 0 HG22 THR A 70 3.691 16.097 -6.130 1.00 21.12 H new ATOM 0 HG23 THR A 70 2.117 16.774 -5.648 1.00 21.12 H new ATOM 1129 N LYS A 71 2.852 16.645 -8.874 1.00 23.11 N ATOM 1130 CA LYS A 71 3.959 17.255 -9.601 1.00 53.25 C ATOM 1131 C LYS A 71 4.838 18.077 -8.665 1.00 2.41 C ATOM 1132 O LYS A 71 4.350 18.676 -7.706 1.00 53.44 O ATOM 1133 CB LYS A 71 3.427 18.143 -10.729 1.00 33.11 C ATOM 1134 CG LYS A 71 2.325 17.492 -11.547 1.00 13.21 C ATOM 1135 CD LYS A 71 0.964 18.085 -11.221 1.00 41.11 C ATOM 1136 CE LYS A 71 0.030 18.030 -12.420 1.00 63.34 C ATOM 1137 NZ LYS A 71 -1.157 18.911 -12.240 1.00 63.32 N ATOM 0 H LYS A 71 2.023 17.234 -8.796 1.00 23.11 H new ATOM 0 HA LYS A 71 4.564 16.456 -10.030 1.00 53.25 H new ATOM 0 HB2 LYS A 71 3.050 19.072 -10.302 1.00 33.11 H new ATOM 0 HB3 LYS A 71 4.251 18.408 -11.391 1.00 33.11 H new ATOM 0 HG2 LYS A 71 2.534 17.621 -12.609 1.00 13.21 H new ATOM 0 HG3 LYS A 71 2.312 16.420 -11.353 1.00 13.21 H new ATOM 0 HD2 LYS A 71 0.520 17.542 -10.387 1.00 41.11 H new ATOM 0 HD3 LYS A 71 1.084 19.120 -10.899 1.00 41.11 H new ATOM 0 HE2 LYS A 71 0.572 18.330 -13.317 1.00 63.34 H new ATOM 0 HE3 LYS A 71 -0.300 17.003 -12.576 1.00 63.34 H new ATOM 0 HZ1 LYS A 71 -1.769 18.845 -13.079 1.00 63.32 H new ATOM 0 HZ2 LYS A 71 -1.689 18.609 -11.399 1.00 63.32 H new ATOM 0 HZ3 LYS A 71 -0.844 19.895 -12.117 1.00 63.32 H new ATOM 1151 N ILE A 72 6.136 18.102 -8.949 1.00 52.54 N ATOM 1152 CA ILE A 72 7.082 18.854 -8.134 1.00 32.55 C ATOM 1153 C ILE A 72 7.720 19.984 -8.933 1.00 3.43 C ATOM 1154 O ILE A 72 8.237 19.769 -10.029 1.00 33.43 O ATOM 1155 CB ILE A 72 8.192 17.943 -7.577 1.00 22.11 C ATOM 1156 CG1 ILE A 72 7.581 16.732 -6.868 1.00 45.12 C ATOM 1157 CG2 ILE A 72 9.090 18.722 -6.627 1.00 51.14 C ATOM 1158 CD1 ILE A 72 6.638 17.102 -5.746 1.00 35.25 C ATOM 0 H ILE A 72 6.556 17.610 -9.737 1.00 52.54 H new ATOM 0 HA ILE A 72 6.517 19.275 -7.302 1.00 32.55 H new ATOM 0 HB ILE A 72 8.799 17.585 -8.409 1.00 22.11 H new ATOM 0 HG12 ILE A 72 7.044 16.126 -7.598 1.00 45.12 H new ATOM 0 HG13 ILE A 72 8.383 16.112 -6.468 1.00 45.12 H new ATOM 0 HG21 ILE A 72 9.869 18.065 -6.242 1.00 51.14 H new ATOM 0 HG22 ILE A 72 9.549 19.555 -7.160 1.00 51.14 H new ATOM 0 HG23 ILE A 72 8.496 19.106 -5.797 1.00 51.14 H new ATOM 0 HD11 ILE A 72 6.243 16.195 -5.289 1.00 35.25 H new ATOM 0 HD12 ILE A 72 7.175 17.682 -4.996 1.00 35.25 H new ATOM 0 HD13 ILE A 72 5.815 17.696 -6.143 1.00 35.25 H new ATOM 1170 N MET A 73 7.683 21.190 -8.375 1.00 55.23 N ATOM 1171 CA MET A 73 8.261 22.355 -9.035 1.00 55.21 C ATOM 1172 C MET A 73 9.639 22.674 -8.466 1.00 64.11 C ATOM 1173 O MET A 73 9.867 22.554 -7.263 1.00 0.14 O ATOM 1174 CB MET A 73 7.339 23.566 -8.878 1.00 51.34 C ATOM 1175 CG MET A 73 6.049 23.455 -9.674 1.00 53.13 C ATOM 1176 SD MET A 73 4.805 24.651 -9.152 1.00 11.43 S ATOM 1177 CE MET A 73 4.324 23.969 -7.567 1.00 53.21 C ATOM 0 H MET A 73 7.259 21.386 -7.468 1.00 55.23 H new ATOM 0 HA MET A 73 8.370 22.125 -10.095 1.00 55.21 H new ATOM 0 HB2 MET A 73 7.096 23.693 -7.823 1.00 51.34 H new ATOM 0 HB3 MET A 73 7.874 24.463 -9.192 1.00 51.34 H new ATOM 0 HG2 MET A 73 6.266 23.601 -10.732 1.00 53.13 H new ATOM 0 HG3 MET A 73 5.646 22.448 -9.567 1.00 53.13 H new ATOM 0 HE1 MET A 73 3.348 24.363 -7.283 1.00 53.21 H new ATOM 0 HE2 MET A 73 4.270 22.883 -7.640 1.00 53.21 H new ATOM 0 HE3 MET A 73 5.061 24.246 -6.813 1.00 53.21 H new ATOM 1187 N MET A 74 10.556 23.080 -9.339 1.00 74.41 N ATOM 1188 CA MET A 74 11.912 23.416 -8.922 1.00 51.11 C ATOM 1189 C MET A 74 12.345 24.756 -9.509 1.00 74.23 C ATOM 1190 O MET A 74 12.287 24.960 -10.721 1.00 52.15 O ATOM 1191 CB MET A 74 12.888 22.319 -9.352 1.00 34.23 C ATOM 1192 CG MET A 74 12.513 20.938 -8.839 1.00 21.24 C ATOM 1193 SD MET A 74 13.144 19.613 -9.886 1.00 61.13 S ATOM 1194 CE MET A 74 13.873 18.530 -8.660 1.00 60.32 C ATOM 0 H MET A 74 10.384 23.184 -10.339 1.00 74.41 H new ATOM 0 HA MET A 74 11.922 23.495 -7.835 1.00 51.11 H new ATOM 0 HB2 MET A 74 12.936 22.293 -10.441 1.00 34.23 H new ATOM 0 HB3 MET A 74 13.886 22.572 -8.995 1.00 34.23 H new ATOM 0 HG2 MET A 74 12.901 20.813 -7.828 1.00 21.24 H new ATOM 0 HG3 MET A 74 11.428 20.860 -8.776 1.00 21.24 H new ATOM 0 HE1 MET A 74 14.414 17.726 -9.160 1.00 60.32 H new ATOM 0 HE2 MET A 74 14.563 19.099 -8.037 1.00 60.32 H new ATOM 0 HE3 MET A 74 13.087 18.105 -8.036 1.00 60.32 H new ATOM 1204 N MET A 75 12.777 25.665 -8.642 1.00 25.01 N ATOM 1205 CA MET A 75 13.221 26.985 -9.076 1.00 74.31 C ATOM 1206 C MET A 75 14.702 27.187 -8.774 1.00 41.35 C ATOM 1207 O MET A 75 15.124 27.126 -7.621 1.00 4.44 O ATOM 1208 CB MET A 75 12.395 28.075 -8.390 1.00 72.31 C ATOM 1209 CG MET A 75 10.952 28.134 -8.866 1.00 2.05 C ATOM 1210 SD MET A 75 10.658 29.484 -10.024 1.00 73.33 S ATOM 1211 CE MET A 75 9.272 30.305 -9.242 1.00 11.41 C ATOM 0 H MET A 75 12.829 25.512 -7.635 1.00 25.01 H new ATOM 0 HA MET A 75 13.076 27.054 -10.154 1.00 74.31 H new ATOM 0 HB2 MET A 75 12.407 27.905 -7.313 1.00 72.31 H new ATOM 0 HB3 MET A 75 12.867 29.042 -8.566 1.00 72.31 H new ATOM 0 HG2 MET A 75 10.692 27.189 -9.342 1.00 2.05 H new ATOM 0 HG3 MET A 75 10.294 28.249 -8.005 1.00 2.05 H new ATOM 0 HE1 MET A 75 8.973 31.165 -9.842 1.00 11.41 H new ATOM 0 HE2 MET A 75 8.436 29.610 -9.161 1.00 11.41 H new ATOM 0 HE3 MET A 75 9.562 30.640 -8.246 1.00 11.41 H new ATOM 1221 N GLY A 76 15.487 27.428 -9.820 1.00 41.13 N ATOM 1222 CA GLY A 76 16.913 27.635 -9.646 1.00 12.34 C ATOM 1223 C GLY A 76 17.684 27.486 -10.942 1.00 73.51 C ATOM 1224 O GLY A 76 17.126 27.648 -12.028 1.00 32.30 O ATOM 0 H GLY A 76 15.161 27.484 -10.785 1.00 41.13 H new ATOM 0 HA2 GLY A 76 17.085 28.631 -9.237 1.00 12.34 H new ATOM 0 HA3 GLY A 76 17.294 26.921 -8.916 1.00 12.34 H new ATOM 1228 N THR A 77 18.972 27.176 -10.831 1.00 11.43 N ATOM 1229 CA THR A 77 19.822 27.008 -12.003 1.00 34.22 C ATOM 1230 C THR A 77 20.674 25.749 -11.888 1.00 12.14 C ATOM 1231 O THR A 77 21.111 25.382 -10.797 1.00 3.11 O ATOM 1232 CB THR A 77 20.746 28.223 -12.206 1.00 51.11 C ATOM 1233 OG1 THR A 77 21.678 27.958 -13.260 1.00 43.52 O ATOM 1234 CG2 THR A 77 21.500 28.550 -10.926 1.00 34.02 C ATOM 0 H THR A 77 19.449 27.036 -9.941 1.00 11.43 H new ATOM 0 HA THR A 77 19.159 26.918 -12.864 1.00 34.22 H new ATOM 0 HB THR A 77 20.129 29.080 -12.474 1.00 51.11 H new ATOM 0 HG1 THR A 77 22.261 28.736 -13.384 1.00 43.52 H new ATOM 0 HG21 THR A 77 22.146 29.412 -11.094 1.00 34.02 H new ATOM 0 HG22 THR A 77 20.788 28.780 -10.133 1.00 34.02 H new ATOM 0 HG23 THR A 77 22.107 27.693 -10.632 1.00 34.02 H new ATOM 1242 N ARG A 78 20.906 25.092 -13.019 1.00 45.11 N ATOM 1243 CA ARG A 78 21.707 23.874 -13.044 1.00 74.43 C ATOM 1244 C ARG A 78 23.138 24.153 -12.594 1.00 55.43 C ATOM 1245 O ARG A 78 23.608 25.288 -12.662 1.00 45.13 O ATOM 1246 CB ARG A 78 21.711 23.270 -14.450 1.00 45.31 C ATOM 1247 CG ARG A 78 20.501 22.400 -14.743 1.00 75.25 C ATOM 1248 CD ARG A 78 19.477 23.137 -15.593 1.00 62.01 C ATOM 1249 NE ARG A 78 19.228 22.458 -16.862 1.00 45.31 N ATOM 1250 CZ ARG A 78 20.003 22.595 -17.933 1.00 22.55 C ATOM 1251 NH1 ARG A 78 21.070 23.380 -17.887 1.00 43.10 N ATOM 1252 NH2 ARG A 78 19.711 21.944 -19.051 1.00 62.24 N ATOM 0 H ARG A 78 20.551 25.382 -13.930 1.00 45.11 H new ATOM 0 HA ARG A 78 21.260 23.161 -12.351 1.00 74.43 H new ATOM 0 HB2 ARG A 78 21.754 24.076 -15.182 1.00 45.31 H new ATOM 0 HB3 ARG A 78 22.615 22.675 -14.578 1.00 45.31 H new ATOM 0 HG2 ARG A 78 20.819 21.494 -15.259 1.00 75.25 H new ATOM 0 HG3 ARG A 78 20.040 22.088 -13.806 1.00 75.25 H new ATOM 0 HD2 ARG A 78 18.542 23.225 -15.039 1.00 62.01 H new ATOM 0 HD3 ARG A 78 19.829 24.150 -15.787 1.00 62.01 H new ATOM 0 HE ARG A 78 18.415 21.845 -16.930 1.00 45.31 H new ATOM 0 HH11 ARG A 78 21.298 23.881 -17.028 1.00 43.10 H new ATOM 0 HH12 ARG A 78 21.663 23.483 -18.710 1.00 43.10 H new ATOM 0 HH21 ARG A 78 18.891 21.338 -19.089 1.00 62.24 H new ATOM 0 HH22 ARG A 78 20.306 22.049 -19.873 1.00 62.24 H new ATOM 1266 N GLU A 79 23.822 23.111 -12.134 1.00 64.14 N ATOM 1267 CA GLU A 79 25.199 23.246 -11.672 1.00 72.21 C ATOM 1268 C GLU A 79 26.152 23.435 -12.849 1.00 31.22 C ATOM 1269 O GLU A 79 25.737 23.404 -14.007 1.00 25.31 O ATOM 1270 CB GLU A 79 25.611 22.016 -10.861 1.00 35.34 C ATOM 1271 CG GLU A 79 25.382 20.702 -11.589 1.00 20.24 C ATOM 1272 CD GLU A 79 26.236 19.575 -11.040 1.00 74.21 C ATOM 1273 OE1 GLU A 79 27.419 19.825 -10.730 1.00 64.24 O ATOM 1274 OE2 GLU A 79 25.720 18.444 -10.921 1.00 25.31 O ATOM 0 H GLU A 79 23.446 22.165 -12.071 1.00 64.14 H new ATOM 0 HA GLU A 79 25.256 24.129 -11.035 1.00 72.21 H new ATOM 0 HB2 GLU A 79 26.667 22.099 -10.602 1.00 35.34 H new ATOM 0 HB3 GLU A 79 25.053 22.005 -9.925 1.00 35.34 H new ATOM 0 HG2 GLU A 79 24.330 20.427 -11.512 1.00 20.24 H new ATOM 0 HG3 GLU A 79 25.600 20.835 -12.649 1.00 20.24 H new ATOM 1281 N GLU A 80 27.430 23.631 -12.542 1.00 3.24 N ATOM 1282 CA GLU A 80 28.442 23.827 -13.574 1.00 32.24 C ATOM 1283 C GLU A 80 29.686 22.994 -13.280 1.00 64.23 C ATOM 1284 O GLU A 80 30.526 23.378 -12.467 1.00 2.53 O ATOM 1285 CB GLU A 80 28.818 25.306 -13.677 1.00 13.42 C ATOM 1286 CG GLU A 80 28.211 26.006 -14.882 1.00 23.23 C ATOM 1287 CD GLU A 80 26.895 26.687 -14.560 1.00 24.11 C ATOM 1288 OE1 GLU A 80 26.050 26.056 -13.891 1.00 52.40 O ATOM 1289 OE2 GLU A 80 26.711 27.849 -14.977 1.00 12.45 O ATOM 0 H GLU A 80 27.789 23.658 -11.588 1.00 3.24 H new ATOM 0 HA GLU A 80 28.022 23.500 -14.525 1.00 32.24 H new ATOM 0 HB2 GLU A 80 28.497 25.818 -12.770 1.00 13.42 H new ATOM 0 HB3 GLU A 80 29.903 25.394 -13.725 1.00 13.42 H new ATOM 0 HG2 GLU A 80 28.916 26.746 -15.260 1.00 23.23 H new ATOM 0 HG3 GLU A 80 28.054 25.279 -15.679 1.00 23.23 H new ATOM 1296 N SER A 81 29.797 21.850 -13.949 1.00 1.41 N ATOM 1297 CA SER A 81 30.936 20.960 -13.757 1.00 40.24 C ATOM 1298 C SER A 81 30.840 19.749 -14.680 1.00 70.02 C ATOM 1299 O SER A 81 31.124 19.874 -15.871 1.00 34.44 O ATOM 1300 CB SER A 81 31.012 20.501 -12.300 1.00 72.42 C ATOM 1301 OG SER A 81 31.613 19.221 -12.199 1.00 43.45 O ATOM 0 H SER A 81 29.112 21.518 -14.628 1.00 1.41 H new ATOM 0 HA SER A 81 31.843 21.512 -14.004 1.00 40.24 H new ATOM 0 HB2 SER A 81 31.585 21.222 -11.718 1.00 72.42 H new ATOM 0 HB3 SER A 81 30.010 20.470 -11.872 1.00 72.42 H new ATOM 0 HG SER A 81 30.973 18.536 -12.484 1.00 43.45 H new HETATM 1307 N NH2 A 90 30.446 18.616 -14.117 1.00 44.11 N TER 1309 NH2 A 90