USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 640 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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 36 THR OG1 : rot -174:sc= 0.24 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.094 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 54:sc= 0.966 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= -0.043 (180deg=-0.684) USER MOD Single : A 30 GLN : amide:sc= -0.638 K(o=-0.64,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= -0.509 (180deg=-1.66!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0868 USER MOD Single : A 43 GLN : amide:sc= -4.31! C(o=-4.3!,f=-8.9!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 0.109 (180deg=0.00478) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -3.1! C(o=-3.1!,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 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0824 X(o=-0.082,f=-0.082) USER MOD Single : A 70 THR OG1 : rot 122:sc= -1.84! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -172:sc= 0 (180deg=-0.0534) USER MOD Single : A 74 MET CE :methyl -176:sc= -2.3 (180deg=-2.48) 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 ----------------------------------------------------------------- ATOM 18 N ALA A 2 4.293 1.381 -2.786 1.00 33.13 N ATOM 19 CA ALA A 2 5.040 2.597 -3.081 1.00 63.21 C ATOM 20 C ALA A 2 4.109 3.720 -3.525 1.00 20.15 C ATOM 21 O ALA A 2 3.045 3.470 -4.093 1.00 43.23 O ATOM 22 CB ALA A 2 6.089 2.325 -4.150 1.00 12.13 C ATOM 0 HA ALA A 2 5.541 2.916 -2.167 1.00 63.21 H new ATOM 0 HB1 ALA A 2 6.640 3.242 -4.361 1.00 12.13 H new ATOM 0 HB2 ALA A 2 6.780 1.560 -3.796 1.00 12.13 H new ATOM 0 HB3 ALA A 2 5.600 1.978 -5.060 1.00 12.13 H new ATOM 28 N LEU A 3 4.514 4.957 -3.261 1.00 4.15 N ATOM 29 CA LEU A 3 3.715 6.120 -3.632 1.00 64.30 C ATOM 30 C LEU A 3 4.399 6.920 -4.736 1.00 73.45 C ATOM 31 O LEU A 3 5.422 7.570 -4.524 1.00 24.55 O ATOM 32 CB LEU A 3 3.479 7.012 -2.412 1.00 62.30 C ATOM 33 CG LEU A 3 2.075 6.965 -1.808 1.00 41.02 C ATOM 34 CD1 LEU A 3 2.006 7.820 -0.552 1.00 74.51 C ATOM 35 CD2 LEU A 3 1.041 7.424 -2.826 1.00 3.51 C ATOM 0 H LEU A 3 5.391 5.181 -2.791 1.00 4.15 H new ATOM 0 HA LEU A 3 2.755 5.766 -4.006 1.00 64.30 H new ATOM 0 HB2 LEU A 3 4.195 6.733 -1.639 1.00 62.30 H new ATOM 0 HB3 LEU A 3 3.698 8.042 -2.692 1.00 62.30 H new ATOM 0 HG LEU A 3 1.852 5.934 -1.534 1.00 41.02 H new ATOM 0 HD11 LEU A 3 1.000 7.775 -0.136 1.00 74.51 H new ATOM 0 HD12 LEU A 3 2.720 7.446 0.182 1.00 74.51 H new ATOM 0 HD13 LEU A 3 2.249 8.853 -0.801 1.00 74.51 H new ATOM 0 HD21 LEU A 3 0.048 7.384 -2.379 1.00 3.51 H new ATOM 0 HD22 LEU A 3 1.261 8.447 -3.132 1.00 3.51 H new ATOM 0 HD23 LEU A 3 1.073 6.770 -3.697 1.00 3.51 H new ATOM 47 N PRO A 4 3.819 6.874 -5.945 1.00 43.34 N ATOM 48 CA PRO A 4 4.354 7.591 -7.107 1.00 11.42 C ATOM 49 C PRO A 4 4.195 9.102 -6.979 1.00 14.42 C ATOM 50 O PRO A 4 3.325 9.585 -6.252 1.00 61.24 O ATOM 51 CB PRO A 4 3.511 7.061 -8.270 1.00 3.34 C ATOM 52 CG PRO A 4 2.234 6.621 -7.642 1.00 21.31 C ATOM 53 CD PRO A 4 2.597 6.120 -6.271 1.00 65.14 C ATOM 0 HA PRO A 4 5.425 7.427 -7.230 1.00 11.42 H new ATOM 0 HB2 PRO A 4 3.338 7.834 -9.018 1.00 3.34 H new ATOM 0 HB3 PRO A 4 4.009 6.234 -8.775 1.00 3.34 H new ATOM 0 HG2 PRO A 4 1.525 7.446 -7.581 1.00 21.31 H new ATOM 0 HG3 PRO A 4 1.760 5.836 -8.231 1.00 21.31 H new ATOM 0 HD2 PRO A 4 1.802 6.311 -5.550 1.00 65.14 H new ATOM 0 HD3 PRO A 4 2.776 5.045 -6.270 1.00 65.14 H new ATOM 61 N ILE A 5 5.038 9.844 -7.689 1.00 22.13 N ATOM 62 CA ILE A 5 4.989 11.300 -7.655 1.00 10.30 C ATOM 63 C ILE A 5 5.465 11.897 -8.975 1.00 2.10 C ATOM 64 O ILE A 5 6.462 11.452 -9.545 1.00 51.40 O ATOM 65 CB ILE A 5 5.848 11.866 -6.509 1.00 2.20 C ATOM 66 CG1 ILE A 5 5.414 11.263 -5.171 1.00 43.33 C ATOM 67 CG2 ILE A 5 5.746 13.384 -6.470 1.00 62.32 C ATOM 68 CD1 ILE A 5 6.122 11.867 -3.979 1.00 22.25 C ATOM 0 H ILE A 5 5.763 9.460 -8.295 1.00 22.13 H new ATOM 0 HA ILE A 5 3.948 11.577 -7.488 1.00 10.30 H new ATOM 0 HB ILE A 5 6.889 11.596 -6.687 1.00 2.20 H new ATOM 0 HG12 ILE A 5 4.339 11.399 -5.052 1.00 43.33 H new ATOM 0 HG13 ILE A 5 5.600 10.189 -5.188 1.00 43.33 H new ATOM 0 HG21 ILE A 5 6.359 13.769 -5.655 1.00 62.32 H new ATOM 0 HG22 ILE A 5 6.099 13.797 -7.415 1.00 62.32 H new ATOM 0 HG23 ILE A 5 4.707 13.675 -6.312 1.00 62.32 H new ATOM 0 HD11 ILE A 5 5.765 11.392 -3.065 1.00 22.25 H new ATOM 0 HD12 ILE A 5 7.196 11.708 -4.075 1.00 22.25 H new ATOM 0 HD13 ILE A 5 5.916 12.936 -3.937 1.00 22.25 H new ATOM 80 N ILE A 6 4.747 12.907 -9.454 1.00 44.42 N ATOM 81 CA ILE A 6 5.099 13.567 -10.705 1.00 54.35 C ATOM 82 C ILE A 6 5.944 14.811 -10.453 1.00 13.23 C ATOM 83 O ILE A 6 5.701 15.558 -9.505 1.00 14.21 O ATOM 84 CB ILE A 6 3.843 13.967 -11.503 1.00 30.11 C ATOM 85 CG1 ILE A 6 3.236 12.741 -12.188 1.00 33.11 C ATOM 86 CG2 ILE A 6 4.185 15.038 -12.528 1.00 20.03 C ATOM 87 CD1 ILE A 6 1.739 12.625 -12.003 1.00 52.24 C ATOM 0 H ILE A 6 3.919 13.286 -8.995 1.00 44.42 H new ATOM 0 HA ILE A 6 5.678 12.850 -11.287 1.00 54.35 H new ATOM 0 HB ILE A 6 3.106 14.376 -10.812 1.00 30.11 H new ATOM 0 HG12 ILE A 6 3.460 12.782 -13.254 1.00 33.11 H new ATOM 0 HG13 ILE A 6 3.713 11.843 -11.796 1.00 33.11 H new ATOM 0 HG21 ILE A 6 3.287 15.310 -13.084 1.00 20.03 H new ATOM 0 HG22 ILE A 6 4.576 15.918 -12.018 1.00 20.03 H new ATOM 0 HG23 ILE A 6 4.937 14.654 -13.218 1.00 20.03 H new ATOM 0 HD11 ILE A 6 1.377 11.733 -12.515 1.00 52.24 H new ATOM 0 HD12 ILE A 6 1.508 12.552 -10.940 1.00 52.24 H new ATOM 0 HD13 ILE A 6 1.251 13.506 -12.420 1.00 52.24 H new ATOM 99 N VAL A 7 6.937 15.029 -11.308 1.00 64.35 N ATOM 100 CA VAL A 7 7.818 16.184 -11.180 1.00 54.02 C ATOM 101 C VAL A 7 7.885 16.971 -12.484 1.00 54.21 C ATOM 102 O VAL A 7 8.228 16.427 -13.534 1.00 1.51 O ATOM 103 CB VAL A 7 9.242 15.762 -10.774 1.00 62.14 C ATOM 104 CG1 VAL A 7 9.840 14.829 -11.817 1.00 3.34 C ATOM 105 CG2 VAL A 7 10.123 16.986 -10.574 1.00 22.32 C ATOM 0 H VAL A 7 7.152 14.421 -12.098 1.00 64.35 H new ATOM 0 HA VAL A 7 7.398 16.817 -10.398 1.00 54.02 H new ATOM 0 HB VAL A 7 9.187 15.223 -9.828 1.00 62.14 H new ATOM 0 HG11 VAL A 7 10.846 14.541 -11.513 1.00 3.34 H new ATOM 0 HG12 VAL A 7 9.219 13.938 -11.906 1.00 3.34 H new ATOM 0 HG13 VAL A 7 9.883 15.339 -12.779 1.00 3.34 H new ATOM 0 HG21 VAL A 7 11.126 16.670 -10.287 1.00 22.32 H new ATOM 0 HG22 VAL A 7 10.173 17.554 -11.503 1.00 22.32 H new ATOM 0 HG23 VAL A 7 9.702 17.613 -9.788 1.00 22.32 H new ATOM 115 N LYS A 8 7.555 18.256 -12.411 1.00 15.15 N ATOM 116 CA LYS A 8 7.578 19.121 -13.584 1.00 44.11 C ATOM 117 C LYS A 8 8.749 20.097 -13.517 1.00 62.53 C ATOM 118 O LYS A 8 8.905 20.827 -12.539 1.00 24.12 O ATOM 119 CB LYS A 8 6.263 19.894 -13.700 1.00 53.22 C ATOM 120 CG LYS A 8 6.071 20.935 -12.611 1.00 34.13 C ATOM 121 CD LYS A 8 4.599 21.149 -12.298 1.00 2.52 C ATOM 122 CE LYS A 8 3.835 21.636 -13.519 1.00 72.15 C ATOM 123 NZ LYS A 8 3.205 22.965 -13.287 1.00 34.14 N ATOM 0 H LYS A 8 7.268 18.722 -11.550 1.00 15.15 H new ATOM 0 HA LYS A 8 7.701 18.492 -14.466 1.00 44.11 H new ATOM 0 HB2 LYS A 8 6.225 20.386 -14.672 1.00 53.22 H new ATOM 0 HB3 LYS A 8 5.433 19.189 -13.667 1.00 53.22 H new ATOM 0 HG2 LYS A 8 6.594 20.619 -11.708 1.00 34.13 H new ATOM 0 HG3 LYS A 8 6.518 21.878 -12.925 1.00 34.13 H new ATOM 0 HD2 LYS A 8 4.162 20.216 -11.942 1.00 2.52 H new ATOM 0 HD3 LYS A 8 4.499 21.875 -11.491 1.00 2.52 H new ATOM 0 HE2 LYS A 8 4.513 21.699 -14.370 1.00 72.15 H new ATOM 0 HE3 LYS A 8 3.065 20.910 -13.779 1.00 72.15 H new ATOM 0 HZ1 LYS A 8 2.694 23.261 -14.143 1.00 34.14 H new ATOM 0 HZ2 LYS A 8 2.539 22.899 -12.491 1.00 34.14 H new ATOM 0 HZ3 LYS A 8 3.942 23.664 -13.064 1.00 34.14 H new ATOM 137 N TRP A 9 9.567 20.104 -14.563 1.00 63.34 N ATOM 138 CA TRP A 9 10.723 20.991 -14.623 1.00 42.23 C ATOM 139 C TRP A 9 10.691 21.842 -15.888 1.00 43.10 C ATOM 140 O TRP A 9 11.045 21.376 -16.970 1.00 73.12 O ATOM 141 CB TRP A 9 12.019 20.179 -14.572 1.00 54.45 C ATOM 142 CG TRP A 9 13.207 20.924 -15.101 1.00 62.43 C ATOM 143 CD1 TRP A 9 14.051 20.519 -16.096 1.00 2.50 C ATOM 144 CD2 TRP A 9 13.684 22.200 -14.661 1.00 62.15 C ATOM 145 NE1 TRP A 9 15.024 21.468 -16.301 1.00 63.30 N ATOM 146 CE2 TRP A 9 14.821 22.509 -15.434 1.00 72.33 C ATOM 147 CE3 TRP A 9 13.261 23.113 -13.692 1.00 31.21 C ATOM 148 CZ2 TRP A 9 15.537 23.690 -15.265 1.00 2.44 C ATOM 149 CZ3 TRP A 9 13.973 24.285 -13.525 1.00 2.04 C ATOM 150 CH2 TRP A 9 15.100 24.566 -14.308 1.00 65.00 C ATOM 0 H TRP A 9 9.451 19.506 -15.381 1.00 63.34 H new ATOM 0 HA TRP A 9 10.685 21.655 -13.760 1.00 42.23 H new ATOM 0 HB2 TRP A 9 12.214 19.883 -13.541 1.00 54.45 H new ATOM 0 HB3 TRP A 9 11.888 19.262 -15.147 1.00 54.45 H new ATOM 0 HD1 TRP A 9 13.966 19.590 -16.641 1.00 2.50 H new ATOM 0 HE1 TRP A 9 15.776 21.407 -16.988 1.00 63.30 H new ATOM 0 HE3 TRP A 9 12.393 22.906 -13.084 1.00 31.21 H new ATOM 0 HZ2 TRP A 9 16.407 23.908 -15.867 1.00 2.44 H new ATOM 0 HZ3 TRP A 9 13.655 24.997 -12.778 1.00 2.04 H new ATOM 0 HH2 TRP A 9 15.635 25.492 -14.154 1.00 65.00 H new ATOM 161 N GLY A 10 10.265 23.093 -15.744 1.00 43.50 N ATOM 162 CA GLY A 10 10.196 23.989 -16.884 1.00 15.13 C ATOM 163 C GLY A 10 8.870 23.896 -17.614 1.00 3.54 C ATOM 164 O GLY A 10 7.995 24.743 -17.436 1.00 22.31 O ATOM 0 H GLY A 10 9.966 23.502 -14.859 1.00 43.50 H new ATOM 0 HA2 GLY A 10 10.351 25.014 -16.547 1.00 15.13 H new ATOM 0 HA3 GLY A 10 11.005 23.755 -17.576 1.00 15.13 H new ATOM 168 N GLY A 11 8.722 22.865 -18.440 1.00 10.22 N ATOM 169 CA GLY A 11 7.492 22.685 -19.188 1.00 52.34 C ATOM 170 C GLY A 11 7.218 21.230 -19.513 1.00 44.24 C ATOM 171 O GLY A 11 6.417 20.925 -20.396 1.00 14.42 O ATOM 0 H GLY A 11 9.432 22.151 -18.604 1.00 10.22 H new ATOM 0 HA2 GLY A 11 6.659 23.089 -18.613 1.00 52.34 H new ATOM 0 HA3 GLY A 11 7.547 23.257 -20.114 1.00 52.34 H new ATOM 175 N GLN A 12 7.888 20.330 -18.800 1.00 54.30 N ATOM 176 CA GLN A 12 7.714 18.899 -19.020 1.00 13.33 C ATOM 177 C GLN A 12 7.437 18.176 -17.706 1.00 1.54 C ATOM 178 O GLN A 12 8.055 18.471 -16.683 1.00 61.21 O ATOM 179 CB GLN A 12 8.957 18.310 -19.688 1.00 20.31 C ATOM 180 CG GLN A 12 9.166 18.790 -21.115 1.00 61.31 C ATOM 181 CD GLN A 12 8.582 17.839 -22.142 1.00 4.21 C ATOM 182 OE1 GLN A 12 7.378 17.848 -22.399 1.00 43.33 O ATOM 183 NE2 GLN A 12 9.435 17.012 -22.735 1.00 70.02 N ATOM 0 H GLN A 12 8.556 20.566 -18.066 1.00 54.30 H new ATOM 0 HA GLN A 12 6.856 18.759 -19.678 1.00 13.33 H new ATOM 0 HB2 GLN A 12 9.834 18.567 -19.095 1.00 20.31 H new ATOM 0 HB3 GLN A 12 8.879 17.223 -19.687 1.00 20.31 H new ATOM 0 HG2 GLN A 12 8.710 19.773 -21.234 1.00 61.31 H new ATOM 0 HG3 GLN A 12 10.233 18.910 -21.302 1.00 61.31 H new ATOM 0 HE21 GLN A 12 10.425 17.039 -22.491 1.00 70.02 H new ATOM 0 HE22 GLN A 12 9.100 16.349 -23.435 1.00 70.02 H new ATOM 192 N GLU A 13 6.504 17.230 -17.741 1.00 64.14 N ATOM 193 CA GLU A 13 6.146 16.466 -16.552 1.00 12.41 C ATOM 194 C GLU A 13 6.766 15.073 -16.592 1.00 64.24 C ATOM 195 O GLU A 13 6.848 14.448 -17.650 1.00 43.45 O ATOM 196 CB GLU A 13 4.625 16.356 -16.429 1.00 73.21 C ATOM 197 CG GLU A 13 3.930 17.694 -16.244 1.00 1.43 C ATOM 198 CD GLU A 13 2.422 17.589 -16.356 1.00 14.41 C ATOM 199 OE1 GLU A 13 1.933 16.529 -16.799 1.00 33.13 O ATOM 200 OE2 GLU A 13 1.730 18.567 -16.002 1.00 22.15 O ATOM 0 H GLU A 13 5.983 16.974 -18.580 1.00 64.14 H new ATOM 0 HA GLU A 13 6.537 16.993 -15.682 1.00 12.41 H new ATOM 0 HB2 GLU A 13 4.231 15.872 -17.323 1.00 73.21 H new ATOM 0 HB3 GLU A 13 4.383 15.711 -15.584 1.00 73.21 H new ATOM 0 HG2 GLU A 13 4.190 18.102 -15.267 1.00 1.43 H new ATOM 0 HG3 GLU A 13 4.298 18.397 -16.992 1.00 1.43 H new ATOM 207 N TYR A 14 7.202 14.592 -15.433 1.00 45.25 N ATOM 208 CA TYR A 14 7.819 13.274 -15.336 1.00 15.31 C ATOM 209 C TYR A 14 7.301 12.520 -14.115 1.00 75.22 C ATOM 210 O TYR A 14 7.515 12.936 -12.977 1.00 3.01 O ATOM 211 CB TYR A 14 9.341 13.404 -15.261 1.00 12.11 C ATOM 212 CG TYR A 14 9.959 14.005 -16.503 1.00 22.10 C ATOM 213 CD1 TYR A 14 9.969 15.380 -16.702 1.00 53.12 C ATOM 214 CD2 TYR A 14 10.533 13.198 -17.478 1.00 31.14 C ATOM 215 CE1 TYR A 14 10.532 15.934 -17.836 1.00 31.32 C ATOM 216 CE2 TYR A 14 11.100 13.743 -18.613 1.00 74.24 C ATOM 217 CZ TYR A 14 11.096 15.111 -18.788 1.00 45.01 C ATOM 218 OH TYR A 14 11.659 15.658 -19.919 1.00 33.41 O ATOM 0 H TYR A 14 7.140 15.095 -14.548 1.00 45.25 H new ATOM 0 HA TYR A 14 7.553 12.709 -16.230 1.00 15.31 H new ATOM 0 HB2 TYR A 14 9.603 14.020 -14.401 1.00 12.11 H new ATOM 0 HB3 TYR A 14 9.774 12.418 -15.091 1.00 12.11 H new ATOM 0 HD1 TYR A 14 9.529 16.027 -15.958 1.00 53.12 H new ATOM 0 HD2 TYR A 14 10.536 12.126 -17.346 1.00 31.14 H new ATOM 0 HE1 TYR A 14 10.530 17.005 -17.976 1.00 31.32 H new ATOM 0 HE2 TYR A 14 11.544 13.101 -19.360 1.00 74.24 H new ATOM 0 HH TYR A 14 12.013 14.942 -20.487 1.00 33.41 H new ATOM 228 N SER A 15 6.617 11.407 -14.362 1.00 22.42 N ATOM 229 CA SER A 15 6.065 10.594 -13.284 1.00 50.12 C ATOM 230 C SER A 15 7.131 9.674 -12.697 1.00 12.14 C ATOM 231 O SER A 15 7.876 9.021 -13.428 1.00 13.32 O ATOM 232 CB SER A 15 4.885 9.765 -13.795 1.00 40.23 C ATOM 233 OG SER A 15 4.571 10.098 -15.136 1.00 53.23 O ATOM 0 H SER A 15 6.432 11.048 -15.299 1.00 22.42 H new ATOM 0 HA SER A 15 5.716 11.264 -12.499 1.00 50.12 H new ATOM 0 HB2 SER A 15 5.125 8.704 -13.727 1.00 40.23 H new ATOM 0 HB3 SER A 15 4.015 9.936 -13.161 1.00 40.23 H new ATOM 0 HG SER A 15 3.815 9.554 -15.440 1.00 53.23 H new ATOM 239 N VAL A 16 7.197 9.628 -11.370 1.00 24.22 N ATOM 240 CA VAL A 16 8.171 8.788 -10.682 1.00 74.41 C ATOM 241 C VAL A 16 7.559 7.447 -10.289 1.00 42.51 C ATOM 242 O VAL A 16 6.410 7.380 -9.851 1.00 41.44 O ATOM 243 CB VAL A 16 8.717 9.480 -9.419 1.00 40.15 C ATOM 244 CG1 VAL A 16 9.641 8.545 -8.655 1.00 31.44 C ATOM 245 CG2 VAL A 16 9.436 10.769 -9.788 1.00 61.02 C ATOM 0 H VAL A 16 6.588 10.162 -10.750 1.00 24.22 H new ATOM 0 HA VAL A 16 8.992 8.620 -11.379 1.00 74.41 H new ATOM 0 HB VAL A 16 7.877 9.731 -8.771 1.00 40.15 H new ATOM 0 HG11 VAL A 16 10.017 9.051 -7.766 1.00 31.44 H new ATOM 0 HG12 VAL A 16 9.091 7.652 -8.359 1.00 31.44 H new ATOM 0 HG13 VAL A 16 10.479 8.261 -9.292 1.00 31.44 H new ATOM 0 HG21 VAL A 16 9.816 11.245 -8.884 1.00 61.02 H new ATOM 0 HG22 VAL A 16 10.267 10.544 -10.456 1.00 61.02 H new ATOM 0 HG23 VAL A 16 8.741 11.443 -10.289 1.00 61.02 H new ATOM 255 N THR A 17 8.335 6.380 -10.448 1.00 25.24 N ATOM 256 CA THR A 17 7.871 5.040 -10.110 1.00 51.32 C ATOM 257 C THR A 17 9.025 4.159 -9.647 1.00 71.51 C ATOM 258 O THR A 17 9.701 3.524 -10.458 1.00 54.54 O ATOM 259 CB THR A 17 7.175 4.368 -11.309 1.00 45.22 C ATOM 260 OG1 THR A 17 7.827 4.744 -12.527 1.00 41.55 O ATOM 261 CG2 THR A 17 5.707 4.760 -11.372 1.00 32.31 C ATOM 0 H THR A 17 9.288 6.418 -10.809 1.00 25.24 H new ATOM 0 HA THR A 17 7.153 5.149 -9.297 1.00 51.32 H new ATOM 0 HB THR A 17 7.241 3.288 -11.180 1.00 45.22 H new ATOM 0 HG1 THR A 17 7.380 4.312 -13.284 1.00 41.55 H new ATOM 0 HG21 THR A 17 5.237 4.273 -12.227 1.00 32.31 H new ATOM 0 HG22 THR A 17 5.207 4.447 -10.456 1.00 32.31 H new ATOM 0 HG23 THR A 17 5.623 5.842 -11.479 1.00 32.31 H new ATOM 269 N THR A 18 9.246 4.121 -8.337 1.00 4.33 N ATOM 270 CA THR A 18 10.319 3.317 -7.765 1.00 44.34 C ATOM 271 C THR A 18 10.457 3.568 -6.268 1.00 40.22 C ATOM 272 O THR A 18 10.886 2.690 -5.518 1.00 11.40 O ATOM 273 CB THR A 18 11.668 3.612 -8.450 1.00 35.21 C ATOM 274 OG1 THR A 18 12.743 3.098 -7.656 1.00 13.44 O ATOM 275 CG2 THR A 18 11.853 5.107 -8.658 1.00 44.22 C ATOM 0 H THR A 18 8.696 4.638 -7.651 1.00 4.33 H new ATOM 0 HA THR A 18 10.055 2.273 -7.932 1.00 44.34 H new ATOM 0 HB THR A 18 11.671 3.123 -9.424 1.00 35.21 H new ATOM 0 HG1 THR A 18 13.596 3.288 -8.099 1.00 13.44 H new ATOM 0 HG21 THR A 18 12.812 5.291 -9.143 1.00 44.22 H new ATOM 0 HG22 THR A 18 11.049 5.489 -9.287 1.00 44.22 H new ATOM 0 HG23 THR A 18 11.831 5.614 -7.693 1.00 44.22 H new ATOM 283 N LEU A 19 10.090 4.771 -5.838 1.00 64.55 N ATOM 284 CA LEU A 19 10.172 5.137 -4.429 1.00 3.02 C ATOM 285 C LEU A 19 8.917 4.701 -3.679 1.00 44.31 C ATOM 286 O LEU A 19 7.835 4.615 -4.258 1.00 54.43 O ATOM 287 CB LEU A 19 10.368 6.647 -4.285 1.00 13.33 C ATOM 288 CG LEU A 19 11.780 7.110 -3.923 1.00 35.10 C ATOM 289 CD1 LEU A 19 12.119 6.720 -2.493 1.00 21.31 C ATOM 290 CD2 LEU A 19 12.797 6.527 -4.893 1.00 32.42 C ATOM 0 H LEU A 19 9.733 5.509 -6.445 1.00 64.55 H new ATOM 0 HA LEU A 19 11.029 4.623 -3.994 1.00 3.02 H new ATOM 0 HB2 LEU A 19 10.081 7.121 -5.224 1.00 13.33 H new ATOM 0 HB3 LEU A 19 9.681 7.011 -3.521 1.00 13.33 H new ATOM 0 HG LEU A 19 11.817 8.197 -3.999 1.00 35.10 H new ATOM 0 HD11 LEU A 19 13.127 7.058 -2.253 1.00 21.31 H new ATOM 0 HD12 LEU A 19 11.408 7.186 -1.811 1.00 21.31 H new ATOM 0 HD13 LEU A 19 12.065 5.636 -2.389 1.00 21.31 H new ATOM 0 HD21 LEU A 19 13.796 6.867 -4.620 1.00 32.42 H new ATOM 0 HD22 LEU A 19 12.759 5.439 -4.849 1.00 32.42 H new ATOM 0 HD23 LEU A 19 12.565 6.857 -5.905 1.00 32.42 H new ATOM 302 N SER A 20 9.071 4.429 -2.387 1.00 54.41 N ATOM 303 CA SER A 20 7.950 4.001 -1.558 1.00 0.20 C ATOM 304 C SER A 20 7.894 4.806 -0.263 1.00 73.10 C ATOM 305 O SER A 20 8.828 5.536 0.067 1.00 74.00 O ATOM 306 CB SER A 20 8.064 2.509 -1.240 1.00 45.10 C ATOM 307 OG SER A 20 9.353 2.016 -1.564 1.00 0.05 O ATOM 0 H SER A 20 9.960 4.497 -1.892 1.00 54.41 H new ATOM 0 HA SER A 20 7.030 4.177 -2.115 1.00 0.20 H new ATOM 0 HB2 SER A 20 7.863 2.343 -0.182 1.00 45.10 H new ATOM 0 HB3 SER A 20 7.309 1.956 -1.798 1.00 45.10 H new ATOM 0 HG SER A 20 10.034 2.563 -1.120 1.00 0.05 H new ATOM 313 N GLU A 21 6.791 4.666 0.466 1.00 71.20 N ATOM 314 CA GLU A 21 6.612 5.380 1.724 1.00 0.25 C ATOM 315 C GLU A 21 7.691 4.989 2.730 1.00 1.32 C ATOM 316 O GLU A 21 7.979 5.733 3.668 1.00 21.22 O ATOM 317 CB GLU A 21 5.227 5.092 2.308 1.00 42.02 C ATOM 318 CG GLU A 21 4.102 5.211 1.293 1.00 4.32 C ATOM 319 CD GLU A 21 2.730 5.092 1.927 1.00 60.01 C ATOM 320 OE1 GLU A 21 2.233 3.953 2.054 1.00 52.33 O ATOM 321 OE2 GLU A 21 2.153 6.136 2.296 1.00 42.24 O ATOM 0 H GLU A 21 6.009 4.065 0.207 1.00 71.20 H new ATOM 0 HA GLU A 21 6.698 6.447 1.521 1.00 0.25 H new ATOM 0 HB2 GLU A 21 5.221 4.086 2.728 1.00 42.02 H new ATOM 0 HB3 GLU A 21 5.038 5.782 3.130 1.00 42.02 H new ATOM 0 HG2 GLU A 21 4.180 6.170 0.781 1.00 4.32 H new ATOM 0 HG3 GLU A 21 4.217 4.435 0.536 1.00 4.32 H new ATOM 328 N ASP A 22 8.283 3.818 2.528 1.00 64.44 N ATOM 329 CA ASP A 22 9.331 3.327 3.416 1.00 60.15 C ATOM 330 C ASP A 22 10.602 4.157 3.267 1.00 1.44 C ATOM 331 O ASP A 22 11.529 4.040 4.069 1.00 12.44 O ATOM 332 CB ASP A 22 9.631 1.856 3.122 1.00 52.25 C ATOM 333 CG ASP A 22 9.771 1.030 4.385 1.00 75.00 C ATOM 334 OD1 ASP A 22 8.731 0.629 4.950 1.00 63.31 O ATOM 335 OD2 ASP A 22 10.919 0.784 4.808 1.00 21.14 O ATOM 0 H ASP A 22 8.055 3.190 1.757 1.00 64.44 H new ATOM 0 HA ASP A 22 8.976 3.419 4.442 1.00 60.15 H new ATOM 0 HB2 ASP A 22 8.832 1.441 2.507 1.00 52.25 H new ATOM 0 HB3 ASP A 22 10.551 1.785 2.541 1.00 52.25 H new ATOM 340 N ASP A 23 10.639 4.995 2.237 1.00 74.21 N ATOM 341 CA ASP A 23 11.796 5.845 1.983 1.00 11.12 C ATOM 342 C ASP A 23 11.550 7.263 2.490 1.00 71.15 C ATOM 343 O ASP A 23 10.802 7.472 3.445 1.00 14.00 O ATOM 344 CB ASP A 23 12.117 5.873 0.488 1.00 24.32 C ATOM 345 CG ASP A 23 12.044 4.497 -0.145 1.00 43.22 C ATOM 346 OD1 ASP A 23 10.918 3.997 -0.349 1.00 4.50 O ATOM 347 OD2 ASP A 23 13.113 3.920 -0.436 1.00 41.14 O ATOM 0 H ASP A 23 9.880 5.104 1.564 1.00 74.21 H new ATOM 0 HA ASP A 23 12.647 5.428 2.521 1.00 11.12 H new ATOM 0 HB2 ASP A 23 11.419 6.540 -0.018 1.00 24.32 H new ATOM 0 HB3 ASP A 23 13.115 6.285 0.341 1.00 24.32 H new ATOM 352 N THR A 24 12.186 8.235 1.843 1.00 14.43 N ATOM 353 CA THR A 24 12.038 9.633 2.229 1.00 50.10 C ATOM 354 C THR A 24 11.788 10.516 1.012 1.00 62.14 C ATOM 355 O THR A 24 11.886 10.061 -0.128 1.00 53.12 O ATOM 356 CB THR A 24 13.286 10.145 2.973 1.00 15.41 C ATOM 357 OG1 THR A 24 14.371 9.228 2.799 1.00 31.44 O ATOM 358 CG2 THR A 24 12.997 10.322 4.456 1.00 35.02 C ATOM 0 H THR A 24 12.808 8.080 1.050 1.00 14.43 H new ATOM 0 HA THR A 24 11.178 9.687 2.896 1.00 50.10 H new ATOM 0 HB THR A 24 13.560 11.113 2.554 1.00 15.41 H new ATOM 0 HG1 THR A 24 15.161 9.562 3.274 1.00 31.44 H new ATOM 0 HG21 THR A 24 13.893 10.684 4.961 1.00 35.02 H new ATOM 0 HG22 THR A 24 12.190 11.044 4.586 1.00 35.02 H new ATOM 0 HG23 THR A 24 12.700 9.365 4.886 1.00 35.02 H new ATOM 366 N VAL A 25 11.466 11.781 1.260 1.00 12.41 N ATOM 367 CA VAL A 25 11.204 12.729 0.184 1.00 52.14 C ATOM 368 C VAL A 25 12.470 13.019 -0.614 1.00 24.11 C ATOM 369 O VAL A 25 12.440 13.092 -1.843 1.00 63.12 O ATOM 370 CB VAL A 25 10.638 14.054 0.728 1.00 44.42 C ATOM 371 CG1 VAL A 25 10.097 14.910 -0.407 1.00 44.52 C ATOM 372 CG2 VAL A 25 9.559 13.786 1.766 1.00 40.53 C ATOM 0 H VAL A 25 11.380 12.173 2.198 1.00 12.41 H new ATOM 0 HA VAL A 25 10.464 12.268 -0.470 1.00 52.14 H new ATOM 0 HB VAL A 25 11.446 14.603 1.211 1.00 44.42 H new ATOM 0 HG11 VAL A 25 9.701 15.842 -0.003 1.00 44.52 H new ATOM 0 HG12 VAL A 25 10.900 15.131 -1.110 1.00 44.52 H new ATOM 0 HG13 VAL A 25 9.302 14.371 -0.922 1.00 44.52 H new ATOM 0 HG21 VAL A 25 9.170 14.733 2.140 1.00 40.53 H new ATOM 0 HG22 VAL A 25 8.749 13.216 1.310 1.00 40.53 H new ATOM 0 HG23 VAL A 25 9.983 13.216 2.593 1.00 40.53 H new ATOM 382 N LEU A 26 13.583 13.183 0.093 1.00 41.01 N ATOM 383 CA LEU A 26 14.863 13.465 -0.549 1.00 34.41 C ATOM 384 C LEU A 26 15.270 12.323 -1.475 1.00 50.22 C ATOM 385 O LEU A 26 15.966 12.535 -2.468 1.00 64.22 O ATOM 386 CB LEU A 26 15.946 13.691 0.507 1.00 41.32 C ATOM 387 CG LEU A 26 16.827 12.485 0.834 1.00 11.03 C ATOM 388 CD1 LEU A 26 18.019 12.423 -0.108 1.00 74.34 C ATOM 389 CD2 LEU A 26 17.292 12.542 2.282 1.00 22.21 C ATOM 0 H LEU A 26 13.625 13.126 1.111 1.00 41.01 H new ATOM 0 HA LEU A 26 14.751 14.370 -1.146 1.00 34.41 H new ATOM 0 HB2 LEU A 26 16.589 14.505 0.171 1.00 41.32 H new ATOM 0 HB3 LEU A 26 15.465 14.024 1.427 1.00 41.32 H new ATOM 0 HG LEU A 26 16.235 11.580 0.698 1.00 11.03 H new ATOM 0 HD11 LEU A 26 18.634 11.558 0.140 1.00 74.34 H new ATOM 0 HD12 LEU A 26 17.666 12.335 -1.136 1.00 74.34 H new ATOM 0 HD13 LEU A 26 18.612 13.332 -0.005 1.00 74.34 H new ATOM 0 HD21 LEU A 26 17.918 11.676 2.498 1.00 22.21 H new ATOM 0 HD22 LEU A 26 17.866 13.454 2.444 1.00 22.21 H new ATOM 0 HD23 LEU A 26 16.425 12.537 2.943 1.00 22.21 H new ATOM 401 N ASP A 27 14.830 11.114 -1.145 1.00 14.32 N ATOM 402 CA ASP A 27 15.145 9.939 -1.949 1.00 5.42 C ATOM 403 C ASP A 27 14.404 9.977 -3.281 1.00 51.44 C ATOM 404 O ASP A 27 14.924 9.534 -4.306 1.00 53.13 O ATOM 405 CB ASP A 27 14.786 8.662 -1.187 1.00 43.44 C ATOM 406 CG ASP A 27 15.532 7.449 -1.708 1.00 11.25 C ATOM 407 OD1 ASP A 27 15.613 7.287 -2.943 1.00 70.13 O ATOM 408 OD2 ASP A 27 16.035 6.662 -0.879 1.00 2.42 O ATOM 0 H ASP A 27 14.254 10.922 -0.326 1.00 14.32 H new ATOM 0 HA ASP A 27 16.216 9.944 -2.150 1.00 5.42 H new ATOM 0 HB2 ASP A 27 15.012 8.798 -0.129 1.00 43.44 H new ATOM 0 HB3 ASP A 27 13.713 8.486 -1.264 1.00 43.44 H new ATOM 413 N LEU A 28 13.186 10.508 -3.260 1.00 4.40 N ATOM 414 CA LEU A 28 12.372 10.604 -4.466 1.00 71.35 C ATOM 415 C LEU A 28 12.784 11.807 -5.308 1.00 51.30 C ATOM 416 O LEU A 28 12.980 11.695 -6.518 1.00 72.33 O ATOM 417 CB LEU A 28 10.891 10.707 -4.099 1.00 13.13 C ATOM 418 CG LEU A 28 9.900 10.250 -5.170 1.00 13.50 C ATOM 419 CD1 LEU A 28 8.789 9.417 -4.549 1.00 63.04 C ATOM 420 CD2 LEU A 28 9.321 11.450 -5.907 1.00 32.52 C ATOM 0 H LEU A 28 12.741 10.879 -2.420 1.00 4.40 H new ATOM 0 HA LEU A 28 12.532 9.701 -5.055 1.00 71.35 H new ATOM 0 HB2 LEU A 28 10.719 10.118 -3.198 1.00 13.13 H new ATOM 0 HB3 LEU A 28 10.671 11.745 -3.848 1.00 13.13 H new ATOM 0 HG LEU A 28 10.433 9.629 -5.890 1.00 13.50 H new ATOM 0 HD11 LEU A 28 8.093 9.101 -5.326 1.00 63.04 H new ATOM 0 HD12 LEU A 28 9.219 8.539 -4.067 1.00 63.04 H new ATOM 0 HD13 LEU A 28 8.258 10.014 -3.808 1.00 63.04 H new ATOM 0 HD21 LEU A 28 8.618 11.106 -6.666 1.00 32.52 H new ATOM 0 HD22 LEU A 28 8.803 12.097 -5.199 1.00 32.52 H new ATOM 0 HD23 LEU A 28 10.127 12.007 -6.385 1.00 32.52 H new ATOM 432 N LYS A 29 12.916 12.959 -4.659 1.00 13.10 N ATOM 433 CA LYS A 29 13.308 14.184 -5.346 1.00 1.25 C ATOM 434 C LYS A 29 14.692 14.038 -5.971 1.00 13.22 C ATOM 435 O LYS A 29 14.860 14.223 -7.176 1.00 1.13 O ATOM 436 CB LYS A 29 13.299 15.364 -4.371 1.00 51.44 C ATOM 437 CG LYS A 29 12.014 16.174 -4.408 1.00 61.44 C ATOM 438 CD LYS A 29 11.022 15.692 -3.363 1.00 55.15 C ATOM 439 CE LYS A 29 10.067 14.656 -3.937 1.00 52.32 C ATOM 440 NZ LYS A 29 8.658 15.140 -3.937 1.00 44.12 N ATOM 0 H LYS A 29 12.757 13.070 -3.658 1.00 13.10 H new ATOM 0 HA LYS A 29 12.587 14.372 -6.142 1.00 1.25 H new ATOM 0 HB2 LYS A 29 13.454 14.990 -3.359 1.00 51.44 H new ATOM 0 HB3 LYS A 29 14.139 16.020 -4.600 1.00 51.44 H new ATOM 0 HG2 LYS A 29 12.241 17.226 -4.238 1.00 61.44 H new ATOM 0 HG3 LYS A 29 11.565 16.101 -5.399 1.00 61.44 H new ATOM 0 HD2 LYS A 29 11.561 15.263 -2.518 1.00 55.15 H new ATOM 0 HD3 LYS A 29 10.454 16.540 -2.981 1.00 55.15 H new ATOM 0 HE2 LYS A 29 10.367 14.411 -4.956 1.00 52.32 H new ATOM 0 HE3 LYS A 29 10.135 13.737 -3.355 1.00 52.32 H new ATOM 0 HZ1 LYS A 29 8.112 14.620 -4.654 1.00 44.12 H new ATOM 0 HZ2 LYS A 29 8.237 14.982 -2.999 1.00 44.12 H new ATOM 0 HZ3 LYS A 29 8.640 16.156 -4.158 1.00 44.12 H new ATOM 454 N GLN A 30 15.677 13.704 -5.144 1.00 45.31 N ATOM 455 CA GLN A 30 17.046 13.533 -5.618 1.00 32.03 C ATOM 456 C GLN A 30 17.116 12.465 -6.704 1.00 41.35 C ATOM 457 O GLN A 30 18.049 12.443 -7.508 1.00 13.10 O ATOM 458 CB GLN A 30 17.967 13.156 -4.456 1.00 14.22 C ATOM 459 CG GLN A 30 18.035 11.660 -4.194 1.00 44.34 C ATOM 460 CD GLN A 30 19.190 10.994 -4.916 1.00 42.24 C ATOM 461 OE1 GLN A 30 18.990 10.243 -5.872 1.00 0.54 O ATOM 462 NE2 GLN A 30 20.408 11.266 -4.463 1.00 2.23 N ATOM 0 H GLN A 30 15.553 13.547 -4.144 1.00 45.31 H new ATOM 0 HA GLN A 30 17.378 14.480 -6.043 1.00 32.03 H new ATOM 0 HB2 GLN A 30 18.971 13.526 -4.664 1.00 14.22 H new ATOM 0 HB3 GLN A 30 17.623 13.659 -3.553 1.00 14.22 H new ATOM 0 HG2 GLN A 30 18.133 11.487 -3.122 1.00 44.34 H new ATOM 0 HG3 GLN A 30 17.100 11.197 -4.508 1.00 44.34 H new ATOM 0 HE21 GLN A 30 20.528 11.894 -3.668 1.00 2.23 H new ATOM 0 HE22 GLN A 30 21.224 10.847 -4.910 1.00 2.23 H new ATOM 471 N PHE A 31 16.124 11.581 -6.723 1.00 42.03 N ATOM 472 CA PHE A 31 16.074 10.509 -7.711 1.00 2.22 C ATOM 473 C PHE A 31 15.601 11.037 -9.062 1.00 62.43 C ATOM 474 O PHE A 31 16.276 10.866 -10.079 1.00 13.11 O ATOM 475 CB PHE A 31 15.146 9.390 -7.234 1.00 13.51 C ATOM 476 CG PHE A 31 14.855 8.362 -8.289 1.00 63.21 C ATOM 477 CD1 PHE A 31 15.687 7.266 -8.454 1.00 60.14 C ATOM 478 CD2 PHE A 31 13.751 8.490 -9.115 1.00 55.22 C ATOM 479 CE1 PHE A 31 15.422 6.318 -9.425 1.00 45.41 C ATOM 480 CE2 PHE A 31 13.481 7.546 -10.088 1.00 34.55 C ATOM 481 CZ PHE A 31 14.317 6.458 -10.242 1.00 23.32 C ATOM 0 H PHE A 31 15.344 11.586 -6.066 1.00 42.03 H new ATOM 0 HA PHE A 31 17.081 10.110 -7.829 1.00 2.22 H new ATOM 0 HB2 PHE A 31 15.597 8.897 -6.373 1.00 13.51 H new ATOM 0 HB3 PHE A 31 14.207 9.827 -6.895 1.00 13.51 H new ATOM 0 HD1 PHE A 31 16.552 7.151 -7.817 1.00 60.14 H new ATOM 0 HD2 PHE A 31 13.093 9.338 -8.998 1.00 55.22 H new ATOM 0 HE1 PHE A 31 16.078 5.469 -9.545 1.00 45.41 H new ATOM 0 HE2 PHE A 31 12.618 7.659 -10.727 1.00 34.55 H new ATOM 0 HZ PHE A 31 14.107 5.718 -11.000 1.00 23.32 H new ATOM 491 N LEU A 32 14.438 11.677 -9.066 1.00 55.21 N ATOM 492 CA LEU A 32 13.872 12.230 -10.292 1.00 64.22 C ATOM 493 C LEU A 32 14.714 13.394 -10.803 1.00 44.43 C ATOM 494 O LEU A 32 14.979 13.505 -12.001 1.00 1.23 O ATOM 495 CB LEU A 32 12.434 12.693 -10.051 1.00 24.40 C ATOM 496 CG LEU A 32 12.216 13.600 -8.840 1.00 34.12 C ATOM 497 CD1 LEU A 32 12.282 15.063 -9.250 1.00 32.22 C ATOM 498 CD2 LEU A 32 10.882 13.290 -8.175 1.00 40.14 C ATOM 0 H LEU A 32 13.867 11.826 -8.234 1.00 55.21 H new ATOM 0 HA LEU A 32 13.872 11.445 -11.049 1.00 64.22 H new ATOM 0 HB2 LEU A 32 12.089 13.219 -10.941 1.00 24.40 H new ATOM 0 HB3 LEU A 32 11.804 11.811 -9.938 1.00 24.40 H new ATOM 0 HG LEU A 32 13.012 13.410 -8.120 1.00 34.12 H new ATOM 0 HD11 LEU A 32 12.125 15.694 -8.375 1.00 32.22 H new ATOM 0 HD12 LEU A 32 13.261 15.277 -9.680 1.00 32.22 H new ATOM 0 HD13 LEU A 32 11.508 15.269 -9.990 1.00 32.22 H new ATOM 0 HD21 LEU A 32 10.743 13.945 -7.315 1.00 40.14 H new ATOM 0 HD22 LEU A 32 10.074 13.452 -8.888 1.00 40.14 H new ATOM 0 HD23 LEU A 32 10.873 12.251 -7.845 1.00 40.14 H new ATOM 510 N LYS A 33 15.135 14.260 -9.888 1.00 11.45 N ATOM 511 CA LYS A 33 15.950 15.415 -10.243 1.00 45.55 C ATOM 512 C LYS A 33 17.200 14.985 -11.006 1.00 14.40 C ATOM 513 O LYS A 33 17.748 15.749 -11.802 1.00 32.40 O ATOM 514 CB LYS A 33 16.349 16.191 -8.986 1.00 25.11 C ATOM 515 CG LYS A 33 17.835 16.497 -8.906 1.00 21.23 C ATOM 516 CD LYS A 33 18.621 15.309 -8.376 1.00 42.05 C ATOM 517 CE LYS A 33 19.975 15.187 -9.060 1.00 14.32 C ATOM 518 NZ LYS A 33 21.069 15.760 -8.228 1.00 42.24 N ATOM 0 H LYS A 33 14.925 14.183 -8.893 1.00 11.45 H new ATOM 0 HA LYS A 33 15.356 16.062 -10.888 1.00 45.55 H new ATOM 0 HB2 LYS A 33 15.792 17.127 -8.955 1.00 25.11 H new ATOM 0 HB3 LYS A 33 16.057 15.617 -8.107 1.00 25.11 H new ATOM 0 HG2 LYS A 33 18.205 16.768 -9.895 1.00 21.23 H new ATOM 0 HG3 LYS A 33 17.996 17.359 -8.258 1.00 21.23 H new ATOM 0 HD2 LYS A 33 18.764 15.416 -7.301 1.00 42.05 H new ATOM 0 HD3 LYS A 33 18.049 14.394 -8.532 1.00 42.05 H new ATOM 0 HE2 LYS A 33 20.186 14.137 -9.264 1.00 14.32 H new ATOM 0 HE3 LYS A 33 19.944 15.699 -10.022 1.00 14.32 H new ATOM 0 HZ1 LYS A 33 21.843 16.080 -8.845 1.00 42.24 H new ATOM 0 HZ2 LYS A 33 20.704 16.567 -7.683 1.00 42.24 H new ATOM 0 HZ3 LYS A 33 21.425 15.033 -7.575 1.00 42.24 H new ATOM 532 N THR A 34 17.645 13.757 -10.759 1.00 11.31 N ATOM 533 CA THR A 34 18.829 13.226 -11.422 1.00 72.31 C ATOM 534 C THR A 34 18.499 12.739 -12.829 1.00 2.42 C ATOM 535 O THR A 34 19.374 12.669 -13.693 1.00 53.44 O ATOM 536 CB THR A 34 19.447 12.064 -10.622 1.00 4.35 C ATOM 537 OG1 THR A 34 20.873 12.197 -10.588 1.00 72.20 O ATOM 538 CG2 THR A 34 19.072 10.724 -11.235 1.00 31.21 C ATOM 0 H THR A 34 17.203 13.112 -10.104 1.00 11.31 H new ATOM 0 HA THR A 34 19.550 14.041 -11.482 1.00 72.31 H new ATOM 0 HB THR A 34 19.054 12.102 -9.606 1.00 4.35 H new ATOM 0 HG1 THR A 34 21.259 11.456 -10.076 1.00 72.20 H new ATOM 0 HG21 THR A 34 19.520 9.919 -10.652 1.00 31.21 H new ATOM 0 HG22 THR A 34 17.988 10.613 -11.232 1.00 31.21 H new ATOM 0 HG23 THR A 34 19.439 10.677 -12.260 1.00 31.21 H new ATOM 546 N LEU A 35 17.233 12.405 -13.052 1.00 62.05 N ATOM 547 CA LEU A 35 16.787 11.925 -14.356 1.00 44.51 C ATOM 548 C LEU A 35 16.656 13.079 -15.345 1.00 43.41 C ATOM 549 O LEU A 35 17.317 13.100 -16.384 1.00 70.42 O ATOM 550 CB LEU A 35 15.448 11.198 -14.223 1.00 64.04 C ATOM 551 CG LEU A 35 15.302 10.276 -13.012 1.00 4.40 C ATOM 552 CD1 LEU A 35 13.913 9.658 -12.976 1.00 4.22 C ATOM 553 CD2 LEU A 35 16.370 9.192 -13.035 1.00 2.41 C ATOM 0 H LEU A 35 16.497 12.457 -12.348 1.00 62.05 H new ATOM 0 HA LEU A 35 17.535 11.229 -14.735 1.00 44.51 H new ATOM 0 HB2 LEU A 35 14.655 11.944 -14.184 1.00 64.04 H new ATOM 0 HB3 LEU A 35 15.287 10.608 -15.125 1.00 64.04 H new ATOM 0 HG LEU A 35 15.436 10.871 -12.108 1.00 4.40 H new ATOM 0 HD11 LEU A 35 13.828 9.005 -12.107 1.00 4.22 H new ATOM 0 HD12 LEU A 35 13.165 10.448 -12.911 1.00 4.22 H new ATOM 0 HD13 LEU A 35 13.749 9.077 -13.884 1.00 4.22 H new ATOM 0 HD21 LEU A 35 16.251 8.545 -12.166 1.00 2.41 H new ATOM 0 HD22 LEU A 35 16.268 8.600 -13.945 1.00 2.41 H new ATOM 0 HD23 LEU A 35 17.357 9.653 -13.011 1.00 2.41 H new ATOM 565 N THR A 36 15.800 14.041 -15.014 1.00 44.42 N ATOM 566 CA THR A 36 15.583 15.199 -15.872 1.00 3.51 C ATOM 567 C THR A 36 15.560 16.489 -15.059 1.00 62.03 C ATOM 568 O THR A 36 15.899 17.558 -15.564 1.00 3.40 O ATOM 569 CB THR A 36 14.264 15.077 -16.657 1.00 52.33 C ATOM 570 OG1 THR A 36 14.016 16.283 -17.389 1.00 71.11 O ATOM 571 CG2 THR A 36 13.099 14.799 -15.719 1.00 23.00 C ATOM 0 H THR A 36 15.246 14.041 -14.158 1.00 44.42 H new ATOM 0 HA THR A 36 16.415 15.231 -16.576 1.00 3.51 H new ATOM 0 HB THR A 36 14.357 14.243 -17.352 1.00 52.33 H new ATOM 0 HG1 THR A 36 13.133 16.234 -17.811 1.00 71.11 H new ATOM 0 HG21 THR A 36 12.178 14.717 -16.297 1.00 23.00 H new ATOM 0 HG22 THR A 36 13.277 13.866 -15.185 1.00 23.00 H new ATOM 0 HG23 THR A 36 13.006 15.615 -15.002 1.00 23.00 H new ATOM 579 N GLY A 37 15.158 16.380 -13.796 1.00 42.45 N ATOM 580 CA GLY A 37 15.099 17.546 -12.934 1.00 21.11 C ATOM 581 C GLY A 37 16.463 18.164 -12.700 1.00 64.11 C ATOM 582 O GLY A 37 17.464 17.703 -13.249 1.00 23.43 O ATOM 0 H GLY A 37 14.872 15.506 -13.355 1.00 42.45 H new ATOM 0 HA2 GLY A 37 14.438 18.290 -13.379 1.00 21.11 H new ATOM 0 HA3 GLY A 37 14.662 17.264 -11.976 1.00 21.11 H new ATOM 586 N VAL A 38 16.504 19.213 -11.884 1.00 64.52 N ATOM 587 CA VAL A 38 17.756 19.895 -11.579 1.00 50.53 C ATOM 588 C VAL A 38 18.140 19.711 -10.116 1.00 23.14 C ATOM 589 O VAL A 38 17.288 19.761 -9.227 1.00 63.44 O ATOM 590 CB VAL A 38 17.663 21.402 -11.888 1.00 63.54 C ATOM 591 CG1 VAL A 38 16.303 21.947 -11.483 1.00 13.34 C ATOM 592 CG2 VAL A 38 18.781 22.159 -11.188 1.00 22.45 C ATOM 0 H VAL A 38 15.685 19.609 -11.423 1.00 64.52 H new ATOM 0 HA VAL A 38 18.523 19.448 -12.212 1.00 50.53 H new ATOM 0 HB VAL A 38 17.778 21.543 -12.963 1.00 63.54 H new ATOM 0 HG11 VAL A 38 16.256 23.012 -11.709 1.00 13.34 H new ATOM 0 HG12 VAL A 38 15.522 21.424 -12.036 1.00 13.34 H new ATOM 0 HG13 VAL A 38 16.154 21.796 -10.414 1.00 13.34 H new ATOM 0 HG21 VAL A 38 18.700 23.222 -11.417 1.00 22.45 H new ATOM 0 HG22 VAL A 38 18.700 22.013 -10.111 1.00 22.45 H new ATOM 0 HG23 VAL A 38 19.745 21.786 -11.534 1.00 22.45 H new ATOM 602 N LEU A 39 19.428 19.498 -9.870 1.00 44.14 N ATOM 603 CA LEU A 39 19.927 19.306 -8.513 1.00 4.50 C ATOM 604 C LEU A 39 19.513 20.465 -7.612 1.00 13.13 C ATOM 605 O LEU A 39 19.329 21.597 -8.060 1.00 10.25 O ATOM 606 CB LEU A 39 21.451 19.173 -8.523 1.00 2.13 C ATOM 607 CG LEU A 39 22.192 20.012 -9.565 1.00 33.11 C ATOM 608 CD1 LEU A 39 22.123 19.348 -10.931 1.00 71.04 C ATOM 609 CD2 LEU A 39 21.616 21.419 -9.624 1.00 53.20 C ATOM 0 H LEU A 39 20.146 19.454 -10.593 1.00 44.14 H new ATOM 0 HA LEU A 39 19.491 18.388 -8.118 1.00 4.50 H new ATOM 0 HB2 LEU A 39 21.826 19.443 -7.536 1.00 2.13 H new ATOM 0 HB3 LEU A 39 21.703 18.125 -8.684 1.00 2.13 H new ATOM 0 HG LEU A 39 23.239 20.082 -9.270 1.00 33.11 H new ATOM 0 HD11 LEU A 39 22.656 19.959 -11.660 1.00 71.04 H new ATOM 0 HD12 LEU A 39 22.583 18.361 -10.880 1.00 71.04 H new ATOM 0 HD13 LEU A 39 21.081 19.247 -11.234 1.00 71.04 H new ATOM 0 HD21 LEU A 39 22.155 22.002 -10.371 1.00 53.20 H new ATOM 0 HD22 LEU A 39 20.561 21.369 -9.895 1.00 53.20 H new ATOM 0 HD23 LEU A 39 21.718 21.895 -8.649 1.00 53.20 H new ATOM 621 N PRO A 40 19.363 20.178 -6.310 1.00 3.40 N ATOM 622 CA PRO A 40 18.972 21.184 -5.318 1.00 34.12 C ATOM 623 C PRO A 40 20.072 22.209 -5.066 1.00 52.43 C ATOM 624 O PRO A 40 19.806 23.313 -4.592 1.00 44.41 O ATOM 625 CB PRO A 40 18.714 20.356 -4.056 1.00 52.04 C ATOM 626 CG PRO A 40 19.546 19.133 -4.229 1.00 63.25 C ATOM 627 CD PRO A 40 19.566 18.851 -5.706 1.00 72.43 C ATOM 0 HA PRO A 40 18.111 21.766 -5.646 1.00 34.12 H new ATOM 0 HB2 PRO A 40 18.998 20.904 -3.158 1.00 52.04 H new ATOM 0 HB3 PRO A 40 17.658 20.105 -3.956 1.00 52.04 H new ATOM 0 HG2 PRO A 40 20.555 19.290 -3.848 1.00 63.25 H new ATOM 0 HG3 PRO A 40 19.124 18.293 -3.677 1.00 63.25 H new ATOM 0 HD2 PRO A 40 20.512 18.408 -6.018 1.00 72.43 H new ATOM 0 HD3 PRO A 40 18.778 18.154 -5.993 1.00 72.43 H new ATOM 635 N GLU A 41 21.307 21.837 -5.388 1.00 33.34 N ATOM 636 CA GLU A 41 22.447 22.725 -5.195 1.00 54.54 C ATOM 637 C GLU A 41 22.219 24.061 -5.897 1.00 1.51 C ATOM 638 O GLU A 41 22.580 25.117 -5.376 1.00 55.22 O ATOM 639 CB GLU A 41 23.726 22.072 -5.722 1.00 71.20 C ATOM 640 CG GLU A 41 24.945 22.977 -5.653 1.00 74.42 C ATOM 641 CD GLU A 41 26.237 22.202 -5.481 1.00 50.51 C ATOM 642 OE1 GLU A 41 26.620 21.473 -6.420 1.00 3.04 O ATOM 643 OE2 GLU A 41 26.865 22.325 -4.409 1.00 14.53 O ATOM 0 H GLU A 41 21.543 20.927 -5.784 1.00 33.34 H new ATOM 0 HA GLU A 41 22.556 22.908 -4.126 1.00 54.54 H new ATOM 0 HB2 GLU A 41 23.924 21.166 -5.149 1.00 71.20 H new ATOM 0 HB3 GLU A 41 23.568 21.767 -6.757 1.00 71.20 H new ATOM 0 HG2 GLU A 41 25.002 23.574 -6.563 1.00 74.42 H new ATOM 0 HG3 GLU A 41 24.830 23.673 -4.822 1.00 74.42 H new ATOM 650 N ARG A 42 21.619 24.006 -7.082 1.00 3.44 N ATOM 651 CA ARG A 42 21.345 25.211 -7.856 1.00 22.02 C ATOM 652 C ARG A 42 19.869 25.589 -7.769 1.00 63.44 C ATOM 653 O ARG A 42 19.526 26.765 -7.656 1.00 60.02 O ATOM 654 CB ARG A 42 21.745 25.005 -9.318 1.00 2.21 C ATOM 655 CG ARG A 42 23.202 25.333 -9.603 1.00 32.02 C ATOM 656 CD ARG A 42 23.890 24.204 -10.353 1.00 64.15 C ATOM 657 NE ARG A 42 25.331 24.418 -10.463 1.00 30.14 N ATOM 658 CZ ARG A 42 25.881 25.322 -11.265 1.00 11.50 C ATOM 659 NH1 ARG A 42 25.114 26.093 -12.024 1.00 45.31 N ATOM 660 NH2 ARG A 42 27.200 25.458 -11.309 1.00 22.32 N ATOM 0 H ARG A 42 21.314 23.140 -7.527 1.00 3.44 H new ATOM 0 HA ARG A 42 21.936 26.025 -7.436 1.00 22.02 H new ATOM 0 HB2 ARG A 42 21.554 23.968 -9.596 1.00 2.21 H new ATOM 0 HB3 ARG A 42 21.111 25.627 -9.950 1.00 2.21 H new ATOM 0 HG2 ARG A 42 23.262 26.250 -10.189 1.00 32.02 H new ATOM 0 HG3 ARG A 42 23.724 25.520 -8.665 1.00 32.02 H new ATOM 0 HD2 ARG A 42 23.702 23.261 -9.840 1.00 64.15 H new ATOM 0 HD3 ARG A 42 23.459 24.116 -11.350 1.00 64.15 H new ATOM 0 HE ARG A 42 25.949 23.841 -9.892 1.00 30.14 H new ATOM 0 HH11 ARG A 42 24.099 25.992 -11.992 1.00 45.31 H new ATOM 0 HH12 ARG A 42 25.539 26.787 -12.639 1.00 45.31 H new ATOM 0 HH21 ARG A 42 27.793 24.868 -10.726 1.00 22.32 H new ATOM 0 HH22 ARG A 42 27.621 26.153 -11.926 1.00 22.32 H new ATOM 674 N GLN A 43 19.002 24.583 -7.824 1.00 62.23 N ATOM 675 CA GLN A 43 17.564 24.810 -7.754 1.00 13.24 C ATOM 676 C GLN A 43 17.044 24.573 -6.339 1.00 41.44 C ATOM 677 O GLN A 43 17.666 23.863 -5.549 1.00 13.44 O ATOM 678 CB GLN A 43 16.832 23.896 -8.738 1.00 65.01 C ATOM 679 CG GLN A 43 16.489 22.532 -8.162 1.00 22.13 C ATOM 680 CD GLN A 43 15.175 22.532 -7.406 1.00 21.43 C ATOM 681 OE1 GLN A 43 14.377 23.462 -7.524 1.00 62.14 O ATOM 682 NE2 GLN A 43 14.943 21.485 -6.622 1.00 73.13 N ATOM 0 H GLN A 43 19.271 23.603 -7.917 1.00 62.23 H new ATOM 0 HA GLN A 43 17.373 25.849 -8.024 1.00 13.24 H new ATOM 0 HB2 GLN A 43 15.914 24.386 -9.062 1.00 65.01 H new ATOM 0 HB3 GLN A 43 17.451 23.761 -9.625 1.00 65.01 H new ATOM 0 HG2 GLN A 43 16.439 21.803 -8.970 1.00 22.13 H new ATOM 0 HG3 GLN A 43 17.288 22.212 -7.494 1.00 22.13 H new ATOM 0 HE21 GLN A 43 15.632 20.736 -6.554 1.00 73.13 H new ATOM 0 HE22 GLN A 43 14.076 21.430 -6.088 1.00 73.13 H new ATOM 691 N LYS A 44 15.900 25.173 -6.027 1.00 23.14 N ATOM 692 CA LYS A 44 15.295 25.027 -4.708 1.00 2.30 C ATOM 693 C LYS A 44 13.835 24.601 -4.823 1.00 63.44 C ATOM 694 O LYS A 44 13.111 25.062 -5.706 1.00 52.40 O ATOM 695 CB LYS A 44 15.393 26.342 -3.931 1.00 44.21 C ATOM 696 CG LYS A 44 14.699 27.506 -4.616 1.00 15.53 C ATOM 697 CD LYS A 44 13.230 27.581 -4.235 1.00 15.35 C ATOM 698 CE LYS A 44 12.868 28.948 -3.675 1.00 11.45 C ATOM 699 NZ LYS A 44 11.552 29.426 -4.183 1.00 64.04 N ATOM 0 H LYS A 44 15.373 25.765 -6.669 1.00 23.14 H new ATOM 0 HA LYS A 44 15.840 24.252 -4.170 1.00 2.30 H new ATOM 0 HB2 LYS A 44 14.959 26.203 -2.941 1.00 44.21 H new ATOM 0 HB3 LYS A 44 16.444 26.591 -3.786 1.00 44.21 H new ATOM 0 HG2 LYS A 44 15.195 28.438 -4.344 1.00 15.53 H new ATOM 0 HG3 LYS A 44 14.791 27.400 -5.697 1.00 15.53 H new ATOM 0 HD2 LYS A 44 12.615 27.371 -5.110 1.00 15.35 H new ATOM 0 HD3 LYS A 44 13.005 26.813 -3.495 1.00 15.35 H new ATOM 0 HE2 LYS A 44 12.841 28.899 -2.586 1.00 11.45 H new ATOM 0 HE3 LYS A 44 13.643 29.667 -3.942 1.00 11.45 H new ATOM 0 HZ1 LYS A 44 11.342 30.361 -3.778 1.00 64.04 H new ATOM 0 HZ2 LYS A 44 11.585 29.498 -5.220 1.00 64.04 H new ATOM 0 HZ3 LYS A 44 10.808 28.754 -3.906 1.00 64.04 H new ATOM 713 N LEU A 45 13.409 23.718 -3.926 1.00 40.54 N ATOM 714 CA LEU A 45 12.034 23.231 -3.927 1.00 22.45 C ATOM 715 C LEU A 45 11.060 24.346 -3.562 1.00 4.43 C ATOM 716 O LEU A 45 11.300 25.114 -2.628 1.00 60.25 O ATOM 717 CB LEU A 45 11.885 22.067 -2.945 1.00 61.20 C ATOM 718 CG LEU A 45 12.494 20.735 -3.385 1.00 40.14 C ATOM 719 CD1 LEU A 45 11.967 20.334 -4.754 1.00 61.04 C ATOM 720 CD2 LEU A 45 14.013 20.823 -3.401 1.00 62.43 C ATOM 0 H LEU A 45 13.995 23.325 -3.190 1.00 40.54 H new ATOM 0 HA LEU A 45 11.798 22.884 -4.933 1.00 22.45 H new ATOM 0 HB2 LEU A 45 12.340 22.356 -1.998 1.00 61.20 H new ATOM 0 HB3 LEU A 45 10.823 21.913 -2.754 1.00 61.20 H new ATOM 0 HG LEU A 45 12.202 19.969 -2.667 1.00 40.14 H new ATOM 0 HD11 LEU A 45 12.411 19.384 -5.051 1.00 61.04 H new ATOM 0 HD12 LEU A 45 10.883 20.230 -4.710 1.00 61.04 H new ATOM 0 HD13 LEU A 45 12.229 21.100 -5.483 1.00 61.04 H new ATOM 0 HD21 LEU A 45 14.430 19.866 -3.716 1.00 62.43 H new ATOM 0 HD22 LEU A 45 14.325 21.602 -4.097 1.00 62.43 H new ATOM 0 HD23 LEU A 45 14.374 21.064 -2.401 1.00 62.43 H new ATOM 732 N LEU A 46 9.960 24.430 -4.302 1.00 24.22 N ATOM 733 CA LEU A 46 8.948 25.451 -4.055 1.00 72.30 C ATOM 734 C LEU A 46 8.073 25.074 -2.863 1.00 64.45 C ATOM 735 O LEU A 46 8.214 25.631 -1.776 1.00 4.11 O ATOM 736 CB LEU A 46 8.079 25.646 -5.299 1.00 34.15 C ATOM 737 CG LEU A 46 8.715 26.432 -6.446 1.00 32.34 C ATOM 738 CD1 LEU A 46 9.667 25.547 -7.235 1.00 73.13 C ATOM 739 CD2 LEU A 46 7.641 27.009 -7.356 1.00 41.33 C ATOM 0 H LEU A 46 9.746 23.803 -5.078 1.00 24.22 H new ATOM 0 HA LEU A 46 9.459 26.386 -3.825 1.00 72.30 H new ATOM 0 HB2 LEU A 46 7.791 24.664 -5.674 1.00 34.15 H new ATOM 0 HB3 LEU A 46 7.162 26.155 -5.001 1.00 34.15 H new ATOM 0 HG LEU A 46 9.286 27.258 -6.023 1.00 32.34 H new ATOM 0 HD11 LEU A 46 10.110 26.123 -8.047 1.00 73.13 H new ATOM 0 HD12 LEU A 46 10.455 25.182 -6.576 1.00 73.13 H new ATOM 0 HD13 LEU A 46 9.119 24.700 -7.648 1.00 73.13 H new ATOM 0 HD21 LEU A 46 8.111 27.565 -8.167 1.00 41.33 H new ATOM 0 HD22 LEU A 46 7.042 26.198 -7.772 1.00 41.33 H new ATOM 0 HD23 LEU A 46 6.999 27.677 -6.782 1.00 41.33 H new ATOM 751 N GLY A 47 7.171 24.121 -3.076 1.00 75.12 N ATOM 752 CA GLY A 47 6.288 23.684 -2.010 1.00 60.13 C ATOM 753 C GLY A 47 6.815 22.461 -1.287 1.00 34.55 C ATOM 754 O GLY A 47 6.153 21.423 -1.243 1.00 72.44 O ATOM 0 H GLY A 47 7.036 23.644 -3.967 1.00 75.12 H new ATOM 0 HA2 GLY A 47 6.156 24.496 -1.295 1.00 60.13 H new ATOM 0 HA3 GLY A 47 5.305 23.462 -2.425 1.00 60.13 H new ATOM 758 N LEU A 48 8.009 22.580 -0.718 1.00 1.33 N ATOM 759 CA LEU A 48 8.626 21.475 0.007 1.00 72.51 C ATOM 760 C LEU A 48 7.701 20.961 1.106 1.00 24.20 C ATOM 761 O LEU A 48 7.799 19.807 1.526 1.00 53.44 O ATOM 762 CB LEU A 48 9.960 21.916 0.612 1.00 73.04 C ATOM 763 CG LEU A 48 9.912 23.150 1.513 1.00 3.11 C ATOM 764 CD1 LEU A 48 9.668 22.746 2.959 1.00 54.13 C ATOM 765 CD2 LEU A 48 11.202 23.949 1.392 1.00 53.23 C ATOM 0 H LEU A 48 8.570 23.432 -0.745 1.00 1.33 H new ATOM 0 HA LEU A 48 8.806 20.665 -0.700 1.00 72.51 H new ATOM 0 HB2 LEU A 48 10.367 21.085 1.189 1.00 73.04 H new ATOM 0 HB3 LEU A 48 10.658 22.112 -0.202 1.00 73.04 H new ATOM 0 HG LEU A 48 9.085 23.781 1.189 1.00 3.11 H new ATOM 0 HD11 LEU A 48 9.637 23.637 3.586 1.00 54.13 H new ATOM 0 HD12 LEU A 48 8.718 22.217 3.034 1.00 54.13 H new ATOM 0 HD13 LEU A 48 10.474 22.094 3.296 1.00 54.13 H new ATOM 0 HD21 LEU A 48 11.150 24.824 2.040 1.00 53.23 H new ATOM 0 HD22 LEU A 48 12.045 23.326 1.690 1.00 53.23 H new ATOM 0 HD23 LEU A 48 11.335 24.270 0.359 1.00 53.23 H new ATOM 777 N LYS A 49 6.803 21.824 1.568 1.00 72.15 N ATOM 778 CA LYS A 49 5.857 21.458 2.615 1.00 24.15 C ATOM 779 C LYS A 49 4.469 21.213 2.034 1.00 15.31 C ATOM 780 O LYS A 49 4.045 21.898 1.103 1.00 62.25 O ATOM 781 CB LYS A 49 5.791 22.558 3.678 1.00 72.44 C ATOM 782 CG LYS A 49 6.268 23.912 3.182 1.00 62.40 C ATOM 783 CD LYS A 49 6.015 25.002 4.209 1.00 12.40 C ATOM 784 CE LYS A 49 7.286 25.775 4.527 1.00 71.03 C ATOM 785 NZ LYS A 49 7.044 26.855 5.523 1.00 41.21 N ATOM 0 H LYS A 49 6.710 22.783 1.233 1.00 72.15 H new ATOM 0 HA LYS A 49 6.205 20.534 3.078 1.00 24.15 H new ATOM 0 HB2 LYS A 49 4.763 22.651 4.030 1.00 72.44 H new ATOM 0 HB3 LYS A 49 6.396 22.261 4.535 1.00 72.44 H new ATOM 0 HG2 LYS A 49 7.333 23.863 2.957 1.00 62.40 H new ATOM 0 HG3 LYS A 49 5.756 24.161 2.252 1.00 62.40 H new ATOM 0 HD2 LYS A 49 5.255 25.688 3.834 1.00 12.40 H new ATOM 0 HD3 LYS A 49 5.620 24.558 5.123 1.00 12.40 H new ATOM 0 HE2 LYS A 49 8.041 25.089 4.911 1.00 71.03 H new ATOM 0 HE3 LYS A 49 7.686 26.209 3.611 1.00 71.03 H new ATOM 0 HZ1 LYS A 49 7.934 27.358 5.713 1.00 41.21 H new ATOM 0 HZ2 LYS A 49 6.342 27.524 5.146 1.00 41.21 H new ATOM 0 HZ3 LYS A 49 6.687 26.439 6.406 1.00 41.21 H new ATOM 799 N VAL A 50 3.763 20.234 2.591 1.00 71.12 N ATOM 800 CA VAL A 50 2.421 19.901 2.129 1.00 34.11 C ATOM 801 C VAL A 50 1.528 19.480 3.291 1.00 3.14 C ATOM 802 O VAL A 50 1.981 18.825 4.231 1.00 74.14 O ATOM 803 CB VAL A 50 2.451 18.770 1.084 1.00 51.01 C ATOM 804 CG1 VAL A 50 2.977 17.484 1.703 1.00 1.32 C ATOM 805 CG2 VAL A 50 1.067 18.558 0.489 1.00 30.42 C ATOM 0 H VAL A 50 4.098 19.658 3.363 1.00 71.12 H new ATOM 0 HA VAL A 50 2.013 20.801 1.668 1.00 34.11 H new ATOM 0 HB VAL A 50 3.127 19.060 0.280 1.00 51.01 H new ATOM 0 HG11 VAL A 50 2.991 16.697 0.949 1.00 1.32 H new ATOM 0 HG12 VAL A 50 3.988 17.647 2.076 1.00 1.32 H new ATOM 0 HG13 VAL A 50 2.330 17.186 2.528 1.00 1.32 H new ATOM 0 HG21 VAL A 50 1.107 17.755 -0.247 1.00 30.42 H new ATOM 0 HG22 VAL A 50 0.368 18.290 1.281 1.00 30.42 H new ATOM 0 HG23 VAL A 50 0.734 19.477 0.007 1.00 30.42 H new ATOM 815 N LYS A 51 0.257 19.860 3.222 1.00 1.51 N ATOM 816 CA LYS A 51 -0.701 19.522 4.267 1.00 35.22 C ATOM 817 C LYS A 51 -0.196 19.970 5.635 1.00 72.21 C ATOM 818 O LYS A 51 -0.450 19.316 6.646 1.00 53.42 O ATOM 819 CB LYS A 51 -0.964 18.014 4.278 1.00 54.24 C ATOM 820 CG LYS A 51 -1.512 17.483 2.964 1.00 44.21 C ATOM 821 CD LYS A 51 -2.733 16.606 3.182 1.00 11.25 C ATOM 822 CE LYS A 51 -3.704 16.701 2.015 1.00 4.32 C ATOM 823 NZ LYS A 51 -3.171 16.034 0.795 1.00 30.43 N ATOM 0 H LYS A 51 -0.134 20.403 2.452 1.00 1.51 H new ATOM 0 HA LYS A 51 -1.633 20.046 4.054 1.00 35.22 H new ATOM 0 HB2 LYS A 51 -0.035 17.493 4.512 1.00 54.24 H new ATOM 0 HB3 LYS A 51 -1.669 17.782 5.076 1.00 54.24 H new ATOM 0 HG2 LYS A 51 -1.774 18.318 2.314 1.00 44.21 H new ATOM 0 HG3 LYS A 51 -0.739 16.911 2.451 1.00 44.21 H new ATOM 0 HD2 LYS A 51 -2.420 15.570 3.312 1.00 11.25 H new ATOM 0 HD3 LYS A 51 -3.237 16.905 4.101 1.00 11.25 H new ATOM 0 HE2 LYS A 51 -4.653 16.243 2.294 1.00 4.32 H new ATOM 0 HE3 LYS A 51 -3.908 17.749 1.796 1.00 4.32 H new ATOM 0 HZ1 LYS A 51 -3.962 15.727 0.194 1.00 30.43 H new ATOM 0 HZ2 LYS A 51 -2.574 16.702 0.267 1.00 30.43 H new ATOM 0 HZ3 LYS A 51 -2.604 15.207 1.071 1.00 30.43 H new ATOM 837 N GLY A 52 0.520 21.090 5.659 1.00 70.13 N ATOM 838 CA GLY A 52 1.048 21.606 6.908 1.00 41.32 C ATOM 839 C GLY A 52 2.368 20.966 7.288 1.00 44.21 C ATOM 840 O GLY A 52 3.084 21.469 8.154 1.00 25.33 O ATOM 0 H GLY A 52 0.744 21.649 4.836 1.00 70.13 H new ATOM 0 HA2 GLY A 52 1.182 22.685 6.824 1.00 41.32 H new ATOM 0 HA3 GLY A 52 0.323 21.435 7.704 1.00 41.32 H new ATOM 844 N LYS A 53 2.692 19.852 6.640 1.00 43.31 N ATOM 845 CA LYS A 53 3.935 19.141 6.914 1.00 62.11 C ATOM 846 C LYS A 53 5.104 19.782 6.172 1.00 31.13 C ATOM 847 O LYS A 53 4.948 20.350 5.091 1.00 32.21 O ATOM 848 CB LYS A 53 3.805 17.671 6.509 1.00 23.23 C ATOM 849 CG LYS A 53 2.878 16.872 7.409 1.00 24.11 C ATOM 850 CD LYS A 53 3.390 16.828 8.839 1.00 25.00 C ATOM 851 CE LYS A 53 3.407 15.407 9.382 1.00 50.23 C ATOM 852 NZ LYS A 53 4.314 15.272 10.555 1.00 11.11 N ATOM 0 H LYS A 53 2.110 19.422 5.921 1.00 43.31 H new ATOM 0 HA LYS A 53 4.130 19.201 7.985 1.00 62.11 H new ATOM 0 HB2 LYS A 53 3.439 17.616 5.484 1.00 23.23 H new ATOM 0 HB3 LYS A 53 4.793 17.211 6.519 1.00 23.23 H new ATOM 0 HG2 LYS A 53 1.882 17.315 7.392 1.00 24.11 H new ATOM 0 HG3 LYS A 53 2.782 15.857 7.024 1.00 24.11 H new ATOM 0 HD2 LYS A 53 4.396 17.246 8.879 1.00 25.00 H new ATOM 0 HD3 LYS A 53 2.760 17.453 9.472 1.00 25.00 H new ATOM 0 HE2 LYS A 53 2.397 15.116 9.669 1.00 50.23 H new ATOM 0 HE3 LYS A 53 3.725 14.722 8.596 1.00 50.23 H new ATOM 0 HZ1 LYS A 53 4.297 14.289 10.895 1.00 11.11 H new ATOM 0 HZ2 LYS A 53 5.283 15.525 10.275 1.00 11.11 H new ATOM 0 HZ3 LYS A 53 3.996 15.907 11.315 1.00 11.11 H new ATOM 866 N PRO A 54 6.304 19.689 6.764 1.00 11.02 N ATOM 867 CA PRO A 54 7.523 20.252 6.176 1.00 54.43 C ATOM 868 C PRO A 54 7.969 19.494 4.930 1.00 0.13 C ATOM 869 O PRO A 54 8.477 20.088 3.980 1.00 61.34 O ATOM 870 CB PRO A 54 8.558 20.103 7.293 1.00 61.51 C ATOM 871 CG PRO A 54 8.065 18.963 8.116 1.00 13.34 C ATOM 872 CD PRO A 54 6.564 19.026 8.053 1.00 14.33 C ATOM 0 HA PRO A 54 7.379 21.281 5.846 1.00 54.43 H new ATOM 0 HB2 PRO A 54 9.550 19.900 6.889 1.00 61.51 H new ATOM 0 HB3 PRO A 54 8.635 21.015 7.885 1.00 61.51 H new ATOM 0 HG2 PRO A 54 8.432 18.013 7.727 1.00 13.34 H new ATOM 0 HG3 PRO A 54 8.416 19.044 9.145 1.00 13.34 H new ATOM 0 HD2 PRO A 54 6.118 18.032 8.091 1.00 14.33 H new ATOM 0 HD3 PRO A 54 6.150 19.593 8.887 1.00 14.33 H new ATOM 880 N ALA A 55 7.775 18.179 4.943 1.00 45.34 N ATOM 881 CA ALA A 55 8.156 17.341 3.813 1.00 61.42 C ATOM 882 C ALA A 55 9.478 17.802 3.207 1.00 34.45 C ATOM 883 O ALA A 55 9.645 17.803 1.988 1.00 15.44 O ATOM 884 CB ALA A 55 7.060 17.347 2.758 1.00 35.30 C ATOM 0 H ALA A 55 7.357 17.672 5.723 1.00 45.34 H new ATOM 0 HA ALA A 55 8.289 16.322 4.178 1.00 61.42 H new ATOM 0 HB1 ALA A 55 7.358 16.717 1.920 1.00 35.30 H new ATOM 0 HB2 ALA A 55 6.136 16.962 3.191 1.00 35.30 H new ATOM 0 HB3 ALA A 55 6.899 18.366 2.406 1.00 35.30 H new ATOM 890 N GLU A 56 10.413 18.192 4.068 1.00 51.34 N ATOM 891 CA GLU A 56 11.719 18.657 3.616 1.00 61.04 C ATOM 892 C GLU A 56 12.514 17.517 2.984 1.00 15.22 C ATOM 893 O GLU A 56 12.668 17.455 1.765 1.00 2.34 O ATOM 894 CB GLU A 56 12.505 19.255 4.785 1.00 60.44 C ATOM 895 CG GLU A 56 13.827 19.881 4.373 1.00 72.44 C ATOM 896 CD GLU A 56 13.859 21.379 4.600 1.00 13.44 C ATOM 897 OE1 GLU A 56 14.064 21.798 5.759 1.00 44.52 O ATOM 898 OE2 GLU A 56 13.678 22.133 3.621 1.00 32.13 O ATOM 0 H GLU A 56 10.291 18.195 5.081 1.00 51.34 H new ATOM 0 HA GLU A 56 11.561 19.428 2.862 1.00 61.04 H new ATOM 0 HB2 GLU A 56 11.892 20.011 5.275 1.00 60.44 H new ATOM 0 HB3 GLU A 56 12.696 18.474 5.521 1.00 60.44 H new ATOM 0 HG2 GLU A 56 14.636 19.415 4.935 1.00 72.44 H new ATOM 0 HG3 GLU A 56 14.010 19.673 3.319 1.00 72.44 H new ATOM 905 N ASN A 57 13.015 16.617 3.824 1.00 44.51 N ATOM 906 CA ASN A 57 13.795 15.480 3.349 1.00 40.10 C ATOM 907 C ASN A 57 13.778 14.345 4.368 1.00 10.24 C ATOM 908 O ASN A 57 13.751 13.170 4.004 1.00 74.34 O ATOM 909 CB ASN A 57 15.237 15.906 3.067 1.00 23.12 C ATOM 910 CG ASN A 57 15.704 17.013 3.992 1.00 44.40 C ATOM 911 OD1 ASN A 57 15.929 18.144 3.560 1.00 11.34 O ATOM 912 ND2 ASN A 57 15.853 16.692 5.272 1.00 62.22 N ATOM 0 H ASN A 57 12.895 16.653 4.836 1.00 44.51 H new ATOM 0 HA ASN A 57 13.342 15.121 2.425 1.00 40.10 H new ATOM 0 HB2 ASN A 57 15.895 15.044 3.175 1.00 23.12 H new ATOM 0 HB3 ASN A 57 15.318 16.242 2.033 1.00 23.12 H new ATOM 0 HD21 ASN A 57 16.165 17.396 5.941 1.00 62.22 H new ATOM 0 HD22 ASN A 57 15.655 15.742 5.586 1.00 62.22 H new ATOM 919 N ASP A 58 13.794 14.706 5.647 1.00 72.41 N ATOM 920 CA ASP A 58 13.778 13.718 6.720 1.00 45.20 C ATOM 921 C ASP A 58 12.387 13.115 6.884 1.00 52.14 C ATOM 922 O ASP A 58 12.173 12.239 7.721 1.00 21.51 O ATOM 923 CB ASP A 58 14.229 14.356 8.035 1.00 24.31 C ATOM 924 CG ASP A 58 15.739 14.389 8.174 1.00 13.45 C ATOM 925 OD1 ASP A 58 16.330 13.331 8.473 1.00 2.23 O ATOM 926 OD2 ASP A 58 16.328 15.474 7.986 1.00 43.23 O ATOM 0 H ASP A 58 13.818 15.675 5.966 1.00 72.41 H new ATOM 0 HA ASP A 58 14.471 12.919 6.455 1.00 45.20 H new ATOM 0 HB2 ASP A 58 13.839 15.372 8.095 1.00 24.31 H new ATOM 0 HB3 ASP A 58 13.802 13.801 8.870 1.00 24.31 H new ATOM 931 N VAL A 59 11.442 13.592 6.078 1.00 25.44 N ATOM 932 CA VAL A 59 10.071 13.100 6.134 1.00 60.33 C ATOM 933 C VAL A 59 9.850 11.975 5.129 1.00 31.41 C ATOM 934 O VAL A 59 10.456 11.956 4.057 1.00 33.34 O ATOM 935 CB VAL A 59 9.059 14.227 5.856 1.00 11.13 C ATOM 936 CG1 VAL A 59 7.770 13.989 6.628 1.00 53.22 C ATOM 937 CG2 VAL A 59 9.659 15.580 6.209 1.00 72.22 C ATOM 0 H VAL A 59 11.602 14.318 5.379 1.00 25.44 H new ATOM 0 HA VAL A 59 9.912 12.719 7.143 1.00 60.33 H new ATOM 0 HB VAL A 59 8.823 14.226 4.792 1.00 11.13 H new ATOM 0 HG11 VAL A 59 7.067 14.795 6.419 1.00 53.22 H new ATOM 0 HG12 VAL A 59 7.333 13.038 6.322 1.00 53.22 H new ATOM 0 HG13 VAL A 59 7.985 13.963 7.696 1.00 53.22 H new ATOM 0 HG21 VAL A 59 8.931 16.365 6.006 1.00 72.22 H new ATOM 0 HG22 VAL A 59 9.925 15.596 7.266 1.00 72.22 H new ATOM 0 HG23 VAL A 59 10.552 15.750 5.608 1.00 72.22 H new ATOM 947 N LYS A 60 8.977 11.037 5.482 1.00 22.21 N ATOM 948 CA LYS A 60 8.673 9.907 4.611 1.00 10.45 C ATOM 949 C LYS A 60 7.510 10.236 3.681 1.00 70.33 C ATOM 950 O LYS A 60 6.599 10.979 4.047 1.00 12.24 O ATOM 951 CB LYS A 60 8.338 8.669 5.446 1.00 1.33 C ATOM 952 CG LYS A 60 9.547 8.048 6.125 1.00 13.30 C ATOM 953 CD LYS A 60 9.403 6.541 6.249 1.00 21.25 C ATOM 954 CE LYS A 60 9.731 6.064 7.656 1.00 33.11 C ATOM 955 NZ LYS A 60 8.918 4.877 8.043 1.00 43.31 N ATOM 0 H LYS A 60 8.467 11.037 6.366 1.00 22.21 H new ATOM 0 HA LYS A 60 9.554 9.700 4.004 1.00 10.45 H new ATOM 0 HB2 LYS A 60 7.605 8.941 6.205 1.00 1.33 H new ATOM 0 HB3 LYS A 60 7.870 7.923 4.803 1.00 1.33 H new ATOM 0 HG2 LYS A 60 10.446 8.283 5.555 1.00 13.30 H new ATOM 0 HG3 LYS A 60 9.674 8.485 7.115 1.00 13.30 H new ATOM 0 HD2 LYS A 60 8.384 6.249 5.993 1.00 21.25 H new ATOM 0 HD3 LYS A 60 10.064 6.051 5.534 1.00 21.25 H new ATOM 0 HE2 LYS A 60 10.790 5.814 7.717 1.00 33.11 H new ATOM 0 HE3 LYS A 60 9.553 6.873 8.365 1.00 33.11 H new ATOM 0 HZ1 LYS A 60 9.171 4.583 9.008 1.00 43.31 H new ATOM 0 HZ2 LYS A 60 7.908 5.122 8.009 1.00 43.31 H new ATOM 0 HZ3 LYS A 60 9.107 4.096 7.382 1.00 43.31 H new ATOM 969 N LEU A 61 7.546 9.676 2.476 1.00 1.54 N ATOM 970 CA LEU A 61 6.494 9.909 1.493 1.00 32.41 C ATOM 971 C LEU A 61 5.120 9.613 2.086 1.00 72.32 C ATOM 972 O LEU A 61 4.149 10.316 1.810 1.00 72.23 O ATOM 973 CB LEU A 61 6.725 9.041 0.255 1.00 63.03 C ATOM 974 CG LEU A 61 8.164 8.975 -0.259 1.00 51.02 C ATOM 975 CD1 LEU A 61 8.259 8.048 -1.461 1.00 24.10 C ATOM 976 CD2 LEU A 61 8.667 10.366 -0.615 1.00 44.22 C ATOM 0 H LEU A 61 8.292 9.058 2.157 1.00 1.54 H new ATOM 0 HA LEU A 61 6.526 10.960 1.204 1.00 32.41 H new ATOM 0 HB2 LEU A 61 6.394 8.027 0.480 1.00 63.03 H new ATOM 0 HB3 LEU A 61 6.090 9.413 -0.549 1.00 63.03 H new ATOM 0 HG LEU A 61 8.795 8.574 0.534 1.00 51.02 H new ATOM 0 HD11 LEU A 61 9.290 8.013 -1.813 1.00 24.10 H new ATOM 0 HD12 LEU A 61 7.940 7.046 -1.174 1.00 24.10 H new ATOM 0 HD13 LEU A 61 7.615 8.419 -2.259 1.00 24.10 H new ATOM 0 HD21 LEU A 61 9.692 10.300 -0.979 1.00 44.22 H new ATOM 0 HD22 LEU A 61 8.033 10.794 -1.391 1.00 44.22 H new ATOM 0 HD23 LEU A 61 8.636 11.002 0.270 1.00 44.22 H new ATOM 988 N GLY A 62 5.047 8.567 2.904 1.00 14.33 N ATOM 989 CA GLY A 62 3.788 8.198 3.525 1.00 11.00 C ATOM 990 C GLY A 62 3.412 9.121 4.667 1.00 53.20 C ATOM 991 O GLY A 62 2.258 9.155 5.093 1.00 75.55 O ATOM 0 H GLY A 62 5.837 7.969 3.147 1.00 14.33 H new ATOM 0 HA2 GLY A 62 2.998 8.214 2.774 1.00 11.00 H new ATOM 0 HA3 GLY A 62 3.855 7.175 3.896 1.00 11.00 H new ATOM 995 N ALA A 63 4.389 9.872 5.166 1.00 73.44 N ATOM 996 CA ALA A 63 4.154 10.800 6.265 1.00 61.51 C ATOM 997 C ALA A 63 3.621 12.133 5.753 1.00 2.40 C ATOM 998 O ALA A 63 3.024 12.905 6.505 1.00 31.20 O ATOM 999 CB ALA A 63 5.434 11.010 7.060 1.00 42.41 C ATOM 0 H ALA A 63 5.351 9.856 4.826 1.00 73.44 H new ATOM 0 HA ALA A 63 3.399 10.366 6.921 1.00 61.51 H new ATOM 0 HB1 ALA A 63 5.244 11.705 7.878 1.00 42.41 H new ATOM 0 HB2 ALA A 63 5.771 10.056 7.465 1.00 42.41 H new ATOM 0 HB3 ALA A 63 6.205 11.419 6.407 1.00 42.41 H new ATOM 1005 N LEU A 64 3.841 12.400 4.470 1.00 2.04 N ATOM 1006 CA LEU A 64 3.383 13.642 3.858 1.00 43.23 C ATOM 1007 C LEU A 64 1.926 13.529 3.421 1.00 42.22 C ATOM 1008 O LEU A 64 1.244 14.536 3.229 1.00 42.04 O ATOM 1009 CB LEU A 64 4.262 13.995 2.656 1.00 12.43 C ATOM 1010 CG LEU A 64 5.660 13.377 2.642 1.00 30.51 C ATOM 1011 CD1 LEU A 64 6.390 13.737 1.358 1.00 44.20 C ATOM 1012 CD2 LEU A 64 6.457 13.831 3.857 1.00 75.34 C ATOM 0 H LEU A 64 4.334 11.773 3.834 1.00 2.04 H new ATOM 0 HA LEU A 64 3.459 14.435 4.602 1.00 43.23 H new ATOM 0 HB2 LEU A 64 3.742 13.688 1.749 1.00 12.43 H new ATOM 0 HB3 LEU A 64 4.365 15.079 2.613 1.00 12.43 H new ATOM 0 HG LEU A 64 5.557 12.293 2.685 1.00 30.51 H new ATOM 0 HD11 LEU A 64 7.383 13.288 1.366 1.00 44.20 H new ATOM 0 HD12 LEU A 64 5.829 13.361 0.503 1.00 44.20 H new ATOM 0 HD13 LEU A 64 6.482 14.821 1.283 1.00 44.20 H new ATOM 0 HD21 LEU A 64 7.449 13.381 3.830 1.00 75.34 H new ATOM 0 HD22 LEU A 64 6.551 14.917 3.846 1.00 75.34 H new ATOM 0 HD23 LEU A 64 5.942 13.521 4.766 1.00 75.34 H new ATOM 1024 N LYS A 65 1.454 12.297 3.268 1.00 71.34 N ATOM 1025 CA LYS A 65 0.077 12.050 2.857 1.00 14.21 C ATOM 1026 C LYS A 65 -0.262 12.832 1.592 1.00 71.43 C ATOM 1027 O LYS A 65 -1.333 13.431 1.488 1.00 1.41 O ATOM 1028 CB LYS A 65 -0.889 12.435 3.981 1.00 63.05 C ATOM 1029 CG LYS A 65 -0.500 11.871 5.336 1.00 32.22 C ATOM 1030 CD LYS A 65 -0.582 10.354 5.353 1.00 31.41 C ATOM 1031 CE LYS A 65 -0.130 9.786 6.690 1.00 74.11 C ATOM 1032 NZ LYS A 65 -1.279 9.546 7.607 1.00 22.20 N ATOM 0 H LYS A 65 2.005 11.453 3.423 1.00 71.34 H new ATOM 0 HA LYS A 65 -0.027 10.986 2.644 1.00 14.21 H new ATOM 0 HB2 LYS A 65 -0.939 13.522 4.050 1.00 63.05 H new ATOM 0 HB3 LYS A 65 -1.889 12.086 3.725 1.00 63.05 H new ATOM 0 HG2 LYS A 65 0.514 12.184 5.584 1.00 32.22 H new ATOM 0 HG3 LYS A 65 -1.157 12.280 6.104 1.00 32.22 H new ATOM 0 HD2 LYS A 65 -1.607 10.042 5.152 1.00 31.41 H new ATOM 0 HD3 LYS A 65 0.038 9.946 4.555 1.00 31.41 H new ATOM 0 HE2 LYS A 65 0.405 8.851 6.525 1.00 74.11 H new ATOM 0 HE3 LYS A 65 0.571 10.476 7.159 1.00 74.11 H new ATOM 0 HZ1 LYS A 65 -0.930 9.159 8.507 1.00 22.20 H new ATOM 0 HZ2 LYS A 65 -1.775 10.443 7.785 1.00 22.20 H new ATOM 0 HZ3 LYS A 65 -1.936 8.868 7.170 1.00 22.20 H new ATOM 1046 N LEU A 66 0.655 12.819 0.631 1.00 4.51 N ATOM 1047 CA LEU A 66 0.453 13.526 -0.629 1.00 62.01 C ATOM 1048 C LEU A 66 -0.109 12.590 -1.694 1.00 61.21 C ATOM 1049 O LEU A 66 0.111 11.379 -1.651 1.00 42.21 O ATOM 1050 CB LEU A 66 1.771 14.134 -1.113 1.00 12.44 C ATOM 1051 CG LEU A 66 1.888 15.655 -1.002 1.00 64.12 C ATOM 1052 CD1 LEU A 66 3.268 16.117 -1.446 1.00 55.31 C ATOM 1053 CD2 LEU A 66 0.805 16.335 -1.826 1.00 70.15 C ATOM 0 H LEU A 66 1.546 12.327 0.700 1.00 4.51 H new ATOM 0 HA LEU A 66 -0.267 14.326 -0.457 1.00 62.01 H new ATOM 0 HB2 LEU A 66 2.586 13.684 -0.545 1.00 12.44 H new ATOM 0 HB3 LEU A 66 1.916 13.853 -2.156 1.00 12.44 H new ATOM 0 HG LEU A 66 1.751 15.936 0.042 1.00 64.12 H new ATOM 0 HD11 LEU A 66 3.334 17.202 -1.361 1.00 55.31 H new ATOM 0 HD12 LEU A 66 4.027 15.657 -0.813 1.00 55.31 H new ATOM 0 HD13 LEU A 66 3.434 15.824 -2.483 1.00 55.31 H new ATOM 0 HD21 LEU A 66 0.904 17.417 -1.735 1.00 70.15 H new ATOM 0 HD22 LEU A 66 0.910 16.048 -2.872 1.00 70.15 H new ATOM 0 HD23 LEU A 66 -0.176 16.028 -1.462 1.00 70.15 H new ATOM 1065 N LYS A 67 -0.834 13.158 -2.651 1.00 53.51 N ATOM 1066 CA LYS A 67 -1.426 12.377 -3.730 1.00 63.44 C ATOM 1067 C LYS A 67 -0.347 11.825 -4.657 1.00 22.32 C ATOM 1068 O LYS A 67 0.780 12.319 -4.701 1.00 12.41 O ATOM 1069 CB LYS A 67 -2.409 13.235 -4.530 1.00 31.53 C ATOM 1070 CG LYS A 67 -3.858 13.048 -4.112 1.00 44.12 C ATOM 1071 CD LYS A 67 -4.449 14.335 -3.561 1.00 71.23 C ATOM 1072 CE LYS A 67 -5.415 14.060 -2.419 1.00 71.21 C ATOM 1073 NZ LYS A 67 -6.769 13.686 -2.915 1.00 44.01 N ATOM 0 H LYS A 67 -1.026 14.158 -2.701 1.00 53.51 H new ATOM 0 HA LYS A 67 -1.963 11.539 -3.285 1.00 63.44 H new ATOM 0 HB2 LYS A 67 -2.139 14.285 -4.415 1.00 31.53 H new ATOM 0 HB3 LYS A 67 -2.311 12.994 -5.589 1.00 31.53 H new ATOM 0 HG2 LYS A 67 -4.445 12.714 -4.968 1.00 44.12 H new ATOM 0 HG3 LYS A 67 -3.922 12.265 -3.357 1.00 44.12 H new ATOM 0 HD2 LYS A 67 -3.647 14.985 -3.212 1.00 71.23 H new ATOM 0 HD3 LYS A 67 -4.968 14.869 -4.357 1.00 71.23 H new ATOM 0 HE2 LYS A 67 -5.022 13.256 -1.796 1.00 71.21 H new ATOM 0 HE3 LYS A 67 -5.491 14.945 -1.787 1.00 71.21 H new ATOM 0 HZ1 LYS A 67 -7.398 13.507 -2.106 1.00 44.01 H new ATOM 0 HZ2 LYS A 67 -7.155 14.463 -3.488 1.00 44.01 H new ATOM 0 HZ3 LYS A 67 -6.700 12.827 -3.497 1.00 44.01 H new ATOM 1087 N PRO A 68 -0.697 10.776 -5.416 1.00 54.22 N ATOM 1088 CA PRO A 68 0.227 10.136 -6.357 1.00 53.11 C ATOM 1089 C PRO A 68 0.541 11.024 -7.556 1.00 52.41 C ATOM 1090 O PRO A 68 1.667 11.038 -8.052 1.00 15.41 O ATOM 1091 CB PRO A 68 -0.532 8.884 -6.804 1.00 14.15 C ATOM 1092 CG PRO A 68 -1.970 9.224 -6.610 1.00 60.40 C ATOM 1093 CD PRO A 68 -2.023 10.135 -5.415 1.00 51.13 C ATOM 0 HA PRO A 68 1.193 9.925 -5.899 1.00 53.11 H new ATOM 0 HB2 PRO A 68 -0.319 8.643 -7.845 1.00 14.15 H new ATOM 0 HB3 PRO A 68 -0.247 8.015 -6.211 1.00 14.15 H new ATOM 0 HG2 PRO A 68 -2.377 9.715 -7.494 1.00 60.40 H new ATOM 0 HG3 PRO A 68 -2.564 8.326 -6.442 1.00 60.40 H new ATOM 0 HD2 PRO A 68 -2.824 10.869 -5.504 1.00 51.13 H new ATOM 0 HD3 PRO A 68 -2.200 9.580 -4.494 1.00 51.13 H new ATOM 1101 N ASN A 69 -0.462 11.765 -8.017 1.00 10.01 N ATOM 1102 CA ASN A 69 -0.292 12.657 -9.159 1.00 30.55 C ATOM 1103 C ASN A 69 0.412 13.944 -8.743 1.00 4.42 C ATOM 1104 O ASN A 69 0.907 14.695 -9.585 1.00 23.24 O ATOM 1105 CB ASN A 69 -1.650 12.984 -9.783 1.00 62.44 C ATOM 1106 CG ASN A 69 -2.603 11.805 -9.744 1.00 72.23 C ATOM 1107 OD1 ASN A 69 -3.638 11.851 -9.079 1.00 52.24 O ATOM 1108 ND2 ASN A 69 -2.257 10.740 -10.459 1.00 11.32 N ATOM 0 H ASN A 69 -1.401 11.765 -7.618 1.00 10.01 H new ATOM 0 HA ASN A 69 0.327 12.148 -9.898 1.00 30.55 H new ATOM 0 HB2 ASN A 69 -2.096 13.826 -9.254 1.00 62.44 H new ATOM 0 HB3 ASN A 69 -1.506 13.297 -10.817 1.00 62.44 H new ATOM 0 HD21 ASN A 69 -2.859 9.917 -10.471 1.00 11.32 H new ATOM 0 HD22 ASN A 69 -1.390 10.746 -10.996 1.00 11.32 H new ATOM 1115 N THR A 70 0.455 14.195 -7.438 1.00 32.32 N ATOM 1116 CA THR A 70 1.098 15.391 -6.909 1.00 53.25 C ATOM 1117 C THR A 70 2.284 15.805 -7.773 1.00 73.02 C ATOM 1118 O THR A 70 3.194 15.012 -8.018 1.00 14.41 O ATOM 1119 CB THR A 70 1.581 15.177 -5.463 1.00 12.14 C ATOM 1120 OG1 THR A 70 0.460 14.958 -4.599 1.00 73.22 O ATOM 1121 CG2 THR A 70 2.376 16.378 -4.974 1.00 41.53 C ATOM 0 H THR A 70 0.051 13.585 -6.727 1.00 32.32 H new ATOM 0 HA THR A 70 0.349 16.183 -6.920 1.00 53.25 H new ATOM 0 HB THR A 70 2.229 14.301 -5.447 1.00 12.14 H new ATOM 0 HG1 THR A 70 0.555 14.090 -4.154 1.00 73.22 H new ATOM 0 HG21 THR A 70 2.706 16.203 -3.950 1.00 41.53 H new ATOM 0 HG22 THR A 70 3.245 16.525 -5.616 1.00 41.53 H new ATOM 0 HG23 THR A 70 1.747 17.268 -5.005 1.00 41.53 H new ATOM 1129 N LYS A 71 2.269 17.052 -8.233 1.00 34.43 N ATOM 1130 CA LYS A 71 3.344 17.573 -9.068 1.00 70.32 C ATOM 1131 C LYS A 71 4.378 18.312 -8.225 1.00 41.24 C ATOM 1132 O LYS A 71 4.040 18.938 -7.220 1.00 62.10 O ATOM 1133 CB LYS A 71 2.778 18.509 -10.138 1.00 42.31 C ATOM 1134 CG LYS A 71 1.528 17.975 -10.815 1.00 61.31 C ATOM 1135 CD LYS A 71 0.292 18.755 -10.400 1.00 41.21 C ATOM 1136 CE LYS A 71 -0.974 18.144 -10.981 1.00 1.12 C ATOM 1137 NZ LYS A 71 -1.687 19.094 -11.879 1.00 42.02 N ATOM 0 H LYS A 71 1.523 17.721 -8.041 1.00 34.43 H new ATOM 0 HA LYS A 71 3.834 16.730 -9.555 1.00 70.32 H new ATOM 0 HB2 LYS A 71 2.550 19.473 -9.682 1.00 42.31 H new ATOM 0 HB3 LYS A 71 3.543 18.687 -10.894 1.00 42.31 H new ATOM 0 HG2 LYS A 71 1.648 18.030 -11.897 1.00 61.31 H new ATOM 0 HG3 LYS A 71 1.397 16.923 -10.562 1.00 61.31 H new ATOM 0 HD2 LYS A 71 0.221 18.775 -9.312 1.00 41.21 H new ATOM 0 HD3 LYS A 71 0.384 19.789 -10.733 1.00 41.21 H new ATOM 0 HE2 LYS A 71 -0.720 17.241 -11.536 1.00 1.12 H new ATOM 0 HE3 LYS A 71 -1.637 17.843 -10.170 1.00 1.12 H new ATOM 0 HZ1 LYS A 71 -2.544 18.640 -12.254 1.00 42.02 H new ATOM 0 HZ2 LYS A 71 -1.952 19.945 -11.344 1.00 42.02 H new ATOM 0 HZ3 LYS A 71 -1.063 19.361 -12.667 1.00 42.02 H new ATOM 1151 N ILE A 72 5.637 18.237 -8.642 1.00 45.23 N ATOM 1152 CA ILE A 72 6.719 18.902 -7.927 1.00 24.14 C ATOM 1153 C ILE A 72 7.350 19.998 -8.779 1.00 10.25 C ATOM 1154 O ILE A 72 7.708 19.772 -9.934 1.00 30.31 O ATOM 1155 CB ILE A 72 7.813 17.903 -7.505 1.00 34.44 C ATOM 1156 CG1 ILE A 72 7.219 16.810 -6.613 1.00 10.23 C ATOM 1157 CG2 ILE A 72 8.942 18.625 -6.786 1.00 11.33 C ATOM 1158 CD1 ILE A 72 6.543 17.346 -5.370 1.00 74.02 C ATOM 0 H ILE A 72 5.933 17.722 -9.471 1.00 45.23 H new ATOM 0 HA ILE A 72 6.280 19.347 -7.034 1.00 24.14 H new ATOM 0 HB ILE A 72 8.221 17.434 -8.401 1.00 34.44 H new ATOM 0 HG12 ILE A 72 6.496 16.234 -7.190 1.00 10.23 H new ATOM 0 HG13 ILE A 72 8.012 16.122 -6.318 1.00 10.23 H new ATOM 0 HG21 ILE A 72 9.707 17.905 -6.494 1.00 11.33 H new ATOM 0 HG22 ILE A 72 9.379 19.370 -7.451 1.00 11.33 H new ATOM 0 HG23 ILE A 72 8.550 19.118 -5.897 1.00 11.33 H new ATOM 0 HD11 ILE A 72 6.145 16.516 -4.786 1.00 74.02 H new ATOM 0 HD12 ILE A 72 7.268 17.898 -4.771 1.00 74.02 H new ATOM 0 HD13 ILE A 72 5.728 18.011 -5.657 1.00 74.02 H new ATOM 1170 N MET A 73 7.484 21.187 -8.199 1.00 62.30 N ATOM 1171 CA MET A 73 8.075 22.318 -8.905 1.00 10.05 C ATOM 1172 C MET A 73 9.526 22.525 -8.481 1.00 53.32 C ATOM 1173 O MET A 73 9.873 22.346 -7.314 1.00 52.32 O ATOM 1174 CB MET A 73 7.267 23.590 -8.639 1.00 44.02 C ATOM 1175 CG MET A 73 5.851 23.536 -9.187 1.00 74.23 C ATOM 1176 SD MET A 73 4.777 24.791 -8.464 1.00 4.03 S ATOM 1177 CE MET A 73 4.407 24.046 -6.878 1.00 11.25 C ATOM 0 H MET A 73 7.192 21.392 -7.243 1.00 62.30 H new ATOM 0 HA MET A 73 8.055 22.100 -9.973 1.00 10.05 H new ATOM 0 HB2 MET A 73 7.225 23.766 -7.564 1.00 44.02 H new ATOM 0 HB3 MET A 73 7.787 24.440 -9.081 1.00 44.02 H new ATOM 0 HG2 MET A 73 5.879 23.667 -10.269 1.00 74.23 H new ATOM 0 HG3 MET A 73 5.429 22.549 -8.996 1.00 74.23 H new ATOM 0 HE1 MET A 73 3.641 24.632 -6.370 1.00 11.25 H new ATOM 0 HE2 MET A 73 4.045 23.029 -7.029 1.00 11.25 H new ATOM 0 HE3 MET A 73 5.310 24.023 -6.268 1.00 11.25 H new ATOM 1187 N MET A 74 10.368 22.903 -9.437 1.00 42.01 N ATOM 1188 CA MET A 74 11.781 23.135 -9.162 1.00 4.23 C ATOM 1189 C MET A 74 12.265 24.413 -9.840 1.00 73.14 C ATOM 1190 O MET A 74 12.256 24.517 -11.067 1.00 31.34 O ATOM 1191 CB MET A 74 12.618 21.945 -9.635 1.00 75.31 C ATOM 1192 CG MET A 74 12.117 20.606 -9.117 1.00 53.14 C ATOM 1193 SD MET A 74 12.641 19.223 -10.148 1.00 21.42 S ATOM 1194 CE MET A 74 13.307 18.112 -8.910 1.00 51.03 C ATOM 0 H MET A 74 10.097 23.055 -10.408 1.00 42.01 H new ATOM 0 HA MET A 74 11.901 23.248 -8.085 1.00 4.23 H new ATOM 0 HB2 MET A 74 12.623 21.925 -10.725 1.00 75.31 H new ATOM 0 HB3 MET A 74 13.650 22.087 -9.314 1.00 75.31 H new ATOM 0 HG2 MET A 74 12.481 20.455 -8.101 1.00 53.14 H new ATOM 0 HG3 MET A 74 11.028 20.625 -9.066 1.00 53.14 H new ATOM 0 HE1 MET A 74 13.737 17.238 -9.399 1.00 51.03 H new ATOM 0 HE2 MET A 74 14.080 18.625 -8.339 1.00 51.03 H new ATOM 0 HE3 MET A 74 12.509 17.796 -8.238 1.00 51.03 H new ATOM 1204 N MET A 75 12.685 25.383 -9.035 1.00 25.30 N ATOM 1205 CA MET A 75 13.173 26.653 -9.559 1.00 42.22 C ATOM 1206 C MET A 75 14.693 26.737 -9.454 1.00 14.43 C ATOM 1207 O MET A 75 15.268 26.459 -8.403 1.00 31.05 O ATOM 1208 CB MET A 75 12.533 27.820 -8.805 1.00 55.13 C ATOM 1209 CG MET A 75 11.018 27.861 -8.923 1.00 35.01 C ATOM 1210 SD MET A 75 10.444 29.122 -10.077 1.00 3.32 S ATOM 1211 CE MET A 75 10.631 30.601 -9.083 1.00 23.41 C ATOM 0 H MET A 75 12.697 25.314 -8.017 1.00 25.30 H new ATOM 0 HA MET A 75 12.895 26.714 -10.611 1.00 42.22 H new ATOM 0 HB2 MET A 75 12.806 27.755 -7.752 1.00 55.13 H new ATOM 0 HB3 MET A 75 12.944 28.756 -9.183 1.00 55.13 H new ATOM 0 HG2 MET A 75 10.656 26.885 -9.248 1.00 35.01 H new ATOM 0 HG3 MET A 75 10.586 28.050 -7.940 1.00 35.01 H new ATOM 0 HE1 MET A 75 10.315 31.470 -9.661 1.00 23.41 H new ATOM 0 HE2 MET A 75 10.016 30.518 -8.187 1.00 23.41 H new ATOM 0 HE3 MET A 75 11.676 30.717 -8.796 1.00 23.41 H new ATOM 1221 N GLY A 76 15.337 27.123 -10.551 1.00 3.22 N ATOM 1222 CA GLY A 76 16.784 27.236 -10.560 1.00 1.51 C ATOM 1223 C GLY A 76 17.381 26.935 -11.920 1.00 73.23 C ATOM 1224 O GLY A 76 16.735 27.137 -12.949 1.00 71.23 O ATOM 0 H GLY A 76 14.883 27.359 -11.433 1.00 3.22 H new ATOM 0 HA2 GLY A 76 17.068 28.244 -10.257 1.00 1.51 H new ATOM 0 HA3 GLY A 76 17.203 26.551 -9.823 1.00 1.51 H new ATOM 1228 N THR A 77 18.619 26.451 -11.928 1.00 31.33 N ATOM 1229 CA THR A 77 19.304 26.123 -13.172 1.00 2.44 C ATOM 1230 C THR A 77 19.966 24.752 -13.091 1.00 14.43 C ATOM 1231 O THR A 77 20.619 24.426 -12.100 1.00 23.31 O ATOM 1232 CB THR A 77 20.373 27.177 -13.518 1.00 61.11 C ATOM 1233 OG1 THR A 77 21.215 26.693 -14.570 1.00 70.15 O ATOM 1234 CG2 THR A 77 21.219 27.511 -12.299 1.00 13.34 C ATOM 0 H THR A 77 19.168 26.277 -11.086 1.00 31.33 H new ATOM 0 HA THR A 77 18.547 26.112 -13.956 1.00 2.44 H new ATOM 0 HB THR A 77 19.864 28.083 -13.847 1.00 61.11 H new ATOM 0 HG1 THR A 77 21.891 27.369 -14.785 1.00 70.15 H new ATOM 0 HG21 THR A 77 21.967 28.257 -12.568 1.00 13.34 H new ATOM 0 HG22 THR A 77 20.580 27.906 -11.510 1.00 13.34 H new ATOM 0 HG23 THR A 77 21.718 26.609 -11.944 1.00 13.34 H new