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 12 GLN : amide:sc= 0.307 K(o=0.63,f=-0.092) USER MOD Set 1.2: A 14 TYR OH : rot -51:sc= 0.321 USER MOD Set 1.3: A 36 THR OG1 : rot 170:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 55:sc= 0.00523 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 55:sc= 0.462 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 144:sc= -1.1 (180deg=-2.81!) USER MOD Single : A 30 GLN : amide:sc= -0.704 K(o=-0.7,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.532 (180deg=-0.996) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0922 USER MOD Single : A 43 GLN :FLIP amide:sc= -7.97! C(o=-9.3!,f=-8!) USER MOD Single : A 44 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.342) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.94 X(o=-2.9,f=-3.3!) 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= -0.405 X(o=-0.4,f=-0.16) USER MOD Single : A 70 THR OG1 : rot 119:sc= -0.0934 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -172:sc= -2.27 (180deg=-2.67) 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 4.502 1.249 -2.882 1.00 72.51 N ATOM 19 CA ALA A 2 5.221 2.487 -3.155 1.00 21.41 C ATOM 20 C ALA A 2 4.265 3.594 -3.585 1.00 71.32 C ATOM 21 O ALA A 2 3.209 3.327 -4.161 1.00 12.35 O ATOM 22 CB ALA A 2 6.281 2.257 -4.223 1.00 14.15 C ATOM 0 HA ALA A 2 5.711 2.804 -2.235 1.00 21.41 H new ATOM 0 HB1 ALA A 2 6.810 3.190 -4.417 1.00 14.15 H new ATOM 0 HB2 ALA A 2 6.989 1.503 -3.877 1.00 14.15 H new ATOM 0 HB3 ALA A 2 5.804 1.913 -5.141 1.00 14.15 H new ATOM 28 N LEU A 3 4.641 4.836 -3.303 1.00 14.23 N ATOM 29 CA LEU A 3 3.815 5.985 -3.660 1.00 65.02 C ATOM 30 C LEU A 3 4.475 6.807 -4.763 1.00 1.24 C ATOM 31 O LEU A 3 5.484 7.480 -4.550 1.00 13.42 O ATOM 32 CB LEU A 3 3.569 6.863 -2.432 1.00 32.41 C ATOM 33 CG LEU A 3 2.168 6.787 -1.823 1.00 62.30 C ATOM 34 CD1 LEU A 3 2.093 7.617 -0.551 1.00 25.52 C ATOM 35 CD2 LEU A 3 1.124 7.252 -2.828 1.00 20.15 C ATOM 0 H LEU A 3 5.512 5.074 -2.828 1.00 14.23 H new ATOM 0 HA LEU A 3 2.859 5.614 -4.030 1.00 65.02 H new ATOM 0 HB2 LEU A 3 4.293 6.590 -1.664 1.00 32.41 H new ATOM 0 HB3 LEU A 3 3.769 7.899 -2.705 1.00 32.41 H new ATOM 0 HG LEU A 3 1.960 5.748 -1.567 1.00 62.30 H new ATOM 0 HD11 LEU A 3 1.089 7.551 -0.132 1.00 25.52 H new ATOM 0 HD12 LEU A 3 2.814 7.239 0.173 1.00 25.52 H new ATOM 0 HD13 LEU A 3 2.322 8.657 -0.781 1.00 25.52 H new ATOM 0 HD21 LEU A 3 0.133 7.191 -2.378 1.00 20.15 H new ATOM 0 HD22 LEU A 3 1.329 8.283 -3.115 1.00 20.15 H new ATOM 0 HD23 LEU A 3 1.161 6.615 -3.712 1.00 20.15 H new ATOM 47 N PRO A 4 3.893 6.755 -5.970 1.00 35.54 N ATOM 48 CA PRO A 4 4.405 7.491 -7.129 1.00 23.30 C ATOM 49 C PRO A 4 4.210 8.997 -6.992 1.00 21.20 C ATOM 50 O PRO A 4 3.329 9.454 -6.263 1.00 62.00 O ATOM 51 CB PRO A 4 3.571 6.947 -8.292 1.00 23.14 C ATOM 52 CG PRO A 4 2.307 6.472 -7.662 1.00 5.22 C ATOM 53 CD PRO A 4 2.688 5.973 -6.295 1.00 71.34 C ATOM 0 HA PRO A 4 5.479 7.354 -7.256 1.00 23.30 H new ATOM 0 HB2 PRO A 4 3.377 7.720 -9.035 1.00 23.14 H new ATOM 0 HB3 PRO A 4 4.088 6.135 -8.804 1.00 23.14 H new ATOM 0 HG2 PRO A 4 1.578 7.279 -7.594 1.00 5.22 H new ATOM 0 HG3 PRO A 4 1.850 5.679 -8.254 1.00 5.22 H new ATOM 0 HD2 PRO A 4 1.892 6.141 -5.570 1.00 71.34 H new ATOM 0 HD3 PRO A 4 2.893 4.902 -6.301 1.00 71.34 H new ATOM 61 N ILE A 5 5.036 9.762 -7.697 1.00 41.31 N ATOM 62 CA ILE A 5 4.952 11.217 -7.655 1.00 23.24 C ATOM 63 C ILE A 5 5.423 11.833 -8.967 1.00 44.24 C ATOM 64 O ILE A 5 6.444 11.427 -9.524 1.00 52.04 O ATOM 65 CB ILE A 5 5.790 11.796 -6.499 1.00 31.50 C ATOM 66 CG1 ILE A 5 5.334 11.204 -5.164 1.00 31.04 C ATOM 67 CG2 ILE A 5 5.684 13.313 -6.476 1.00 52.01 C ATOM 68 CD1 ILE A 5 6.084 11.755 -3.971 1.00 62.42 C ATOM 0 H ILE A 5 5.771 9.399 -8.304 1.00 41.31 H new ATOM 0 HA ILE A 5 3.903 11.468 -7.494 1.00 23.24 H new ATOM 0 HB ILE A 5 6.835 11.527 -6.656 1.00 31.50 H new ATOM 0 HG12 ILE A 5 4.269 11.398 -5.035 1.00 31.04 H new ATOM 0 HG13 ILE A 5 5.460 10.122 -5.194 1.00 31.04 H new ATOM 0 HG21 ILE A 5 6.281 13.707 -5.654 1.00 52.01 H new ATOM 0 HG22 ILE A 5 6.052 13.718 -7.419 1.00 52.01 H new ATOM 0 HG23 ILE A 5 4.642 13.603 -6.339 1.00 52.01 H new ATOM 0 HD11 ILE A 5 5.708 11.291 -3.059 1.00 62.42 H new ATOM 0 HD12 ILE A 5 7.147 11.538 -4.077 1.00 62.42 H new ATOM 0 HD13 ILE A 5 5.938 12.834 -3.916 1.00 62.42 H new ATOM 80 N ILE A 6 4.675 12.817 -9.455 1.00 72.42 N ATOM 81 CA ILE A 6 5.018 13.491 -10.701 1.00 53.10 C ATOM 82 C ILE A 6 5.834 14.752 -10.437 1.00 24.51 C ATOM 83 O ILE A 6 5.567 15.490 -9.489 1.00 51.53 O ATOM 84 CB ILE A 6 3.758 13.868 -11.503 1.00 33.15 C ATOM 85 CG1 ILE A 6 3.172 12.630 -12.186 1.00 5.31 C ATOM 86 CG2 ILE A 6 4.085 14.942 -12.529 1.00 73.24 C ATOM 87 CD1 ILE A 6 1.687 12.460 -11.958 1.00 31.24 C ATOM 0 H ILE A 6 3.828 13.165 -9.006 1.00 72.42 H new ATOM 0 HA ILE A 6 5.614 12.790 -11.285 1.00 53.10 H new ATOM 0 HB ILE A 6 3.013 14.266 -10.815 1.00 33.15 H new ATOM 0 HG12 ILE A 6 3.362 12.692 -13.258 1.00 5.31 H new ATOM 0 HG13 ILE A 6 3.691 11.744 -11.821 1.00 5.31 H new ATOM 0 HG21 ILE A 6 3.185 15.198 -13.088 1.00 73.24 H new ATOM 0 HG22 ILE A 6 4.460 15.830 -12.020 1.00 73.24 H new ATOM 0 HG23 ILE A 6 4.845 14.570 -13.216 1.00 73.24 H new ATOM 0 HD11 ILE A 6 1.341 11.563 -12.471 1.00 31.24 H new ATOM 0 HD12 ILE A 6 1.491 12.366 -10.890 1.00 31.24 H new ATOM 0 HD13 ILE A 6 1.157 13.329 -12.349 1.00 31.24 H new ATOM 99 N VAL A 7 6.831 14.992 -11.283 1.00 2.32 N ATOM 100 CA VAL A 7 7.686 16.165 -11.143 1.00 52.32 C ATOM 101 C VAL A 7 7.754 16.954 -12.446 1.00 63.43 C ATOM 102 O VAL A 7 8.125 16.417 -13.491 1.00 15.31 O ATOM 103 CB VAL A 7 9.113 15.772 -10.718 1.00 1.40 C ATOM 104 CG1 VAL A 7 9.746 14.857 -11.755 1.00 23.04 C ATOM 105 CG2 VAL A 7 9.964 17.014 -10.500 1.00 45.11 C ATOM 0 H VAL A 7 7.066 14.390 -12.072 1.00 2.32 H new ATOM 0 HA VAL A 7 7.243 16.789 -10.367 1.00 52.32 H new ATOM 0 HB VAL A 7 9.056 15.228 -9.775 1.00 1.40 H new ATOM 0 HG11 VAL A 7 10.754 14.590 -11.438 1.00 23.04 H new ATOM 0 HG12 VAL A 7 9.146 13.953 -11.857 1.00 23.04 H new ATOM 0 HG13 VAL A 7 9.792 15.372 -12.715 1.00 23.04 H new ATOM 0 HG21 VAL A 7 10.969 16.718 -10.200 1.00 45.11 H new ATOM 0 HG22 VAL A 7 10.015 17.587 -11.426 1.00 45.11 H new ATOM 0 HG23 VAL A 7 9.518 17.628 -9.718 1.00 45.11 H new ATOM 115 N LYS A 8 7.395 18.231 -12.378 1.00 44.11 N ATOM 116 CA LYS A 8 7.417 19.096 -13.552 1.00 2.24 C ATOM 117 C LYS A 8 8.537 20.126 -13.447 1.00 43.43 C ATOM 118 O LYS A 8 8.596 20.898 -12.490 1.00 10.00 O ATOM 119 CB LYS A 8 6.071 19.806 -13.713 1.00 32.51 C ATOM 120 CG LYS A 8 5.748 20.763 -12.579 1.00 31.24 C ATOM 121 CD LYS A 8 4.249 20.887 -12.363 1.00 71.13 C ATOM 122 CE LYS A 8 3.550 21.418 -13.605 1.00 54.31 C ATOM 123 NZ LYS A 8 2.854 22.708 -13.341 1.00 12.13 N ATOM 0 H LYS A 8 7.085 18.691 -11.522 1.00 44.11 H new ATOM 0 HA LYS A 8 7.600 18.474 -14.428 1.00 2.24 H new ATOM 0 HB2 LYS A 8 6.071 20.357 -14.653 1.00 32.51 H new ATOM 0 HB3 LYS A 8 5.281 19.058 -13.782 1.00 32.51 H new ATOM 0 HG2 LYS A 8 6.221 20.414 -11.661 1.00 31.24 H new ATOM 0 HG3 LYS A 8 6.167 21.745 -12.800 1.00 31.24 H new ATOM 0 HD2 LYS A 8 3.836 19.913 -12.100 1.00 71.13 H new ATOM 0 HD3 LYS A 8 4.055 21.553 -11.522 1.00 71.13 H new ATOM 0 HE2 LYS A 8 4.281 21.556 -14.402 1.00 54.31 H new ATOM 0 HE3 LYS A 8 2.828 20.682 -13.958 1.00 54.31 H new ATOM 0 HZ1 LYS A 8 2.390 23.037 -14.212 1.00 12.13 H new ATOM 0 HZ2 LYS A 8 2.139 22.571 -12.598 1.00 12.13 H new ATOM 0 HZ3 LYS A 8 3.546 23.418 -13.028 1.00 12.13 H new ATOM 137 N TRP A 9 9.422 20.134 -14.438 1.00 20.54 N ATOM 138 CA TRP A 9 10.539 21.071 -14.457 1.00 65.32 C ATOM 139 C TRP A 9 10.537 21.894 -15.741 1.00 22.24 C ATOM 140 O TRP A 9 10.972 21.424 -16.791 1.00 44.11 O ATOM 141 CB TRP A 9 11.865 20.319 -14.321 1.00 14.00 C ATOM 142 CG TRP A 9 13.057 21.143 -14.704 1.00 73.54 C ATOM 143 CD1 TRP A 9 14.097 20.757 -15.501 1.00 1.31 C ATOM 144 CD2 TRP A 9 13.332 22.490 -14.306 1.00 35.12 C ATOM 145 NE1 TRP A 9 15.002 21.784 -15.621 1.00 41.24 N ATOM 146 CE2 TRP A 9 14.555 22.858 -14.898 1.00 41.45 C ATOM 147 CE3 TRP A 9 12.662 23.422 -13.508 1.00 22.32 C ATOM 148 CZ2 TRP A 9 15.121 24.117 -14.716 1.00 1.31 C ATOM 149 CZ3 TRP A 9 13.225 24.671 -13.327 1.00 64.43 C ATOM 150 CH2 TRP A 9 14.444 25.010 -13.930 1.00 23.34 C ATOM 0 H TRP A 9 9.387 19.502 -15.238 1.00 20.54 H new ATOM 0 HA TRP A 9 10.426 21.750 -13.612 1.00 65.32 H new ATOM 0 HB2 TRP A 9 11.980 19.984 -13.290 1.00 14.00 H new ATOM 0 HB3 TRP A 9 11.834 19.426 -14.945 1.00 14.00 H new ATOM 0 HD1 TRP A 9 14.194 19.788 -15.968 1.00 1.31 H new ATOM 0 HE1 TRP A 9 15.867 21.752 -16.161 1.00 41.24 H new ATOM 0 HE3 TRP A 9 11.721 23.170 -13.041 1.00 22.32 H new ATOM 0 HZ2 TRP A 9 16.061 24.380 -15.179 1.00 1.31 H new ATOM 0 HZ3 TRP A 9 12.717 25.398 -12.711 1.00 64.43 H new ATOM 0 HH2 TRP A 9 14.857 25.995 -13.771 1.00 23.34 H new ATOM 161 N GLY A 10 10.044 23.125 -15.648 1.00 43.33 N ATOM 162 CA GLY A 10 9.995 23.994 -16.810 1.00 23.31 C ATOM 163 C GLY A 10 8.688 23.875 -17.567 1.00 54.54 C ATOM 164 O GLY A 10 7.795 24.708 -17.413 1.00 42.10 O ATOM 0 H GLY A 10 9.678 23.536 -14.789 1.00 43.33 H new ATOM 0 HA2 GLY A 10 10.135 25.028 -16.493 1.00 23.31 H new ATOM 0 HA3 GLY A 10 10.822 23.750 -17.477 1.00 23.31 H new ATOM 168 N GLY A 11 8.574 22.838 -18.391 1.00 31.42 N ATOM 169 CA GLY A 11 7.363 22.634 -19.164 1.00 61.43 C ATOM 170 C GLY A 11 7.122 21.173 -19.489 1.00 33.31 C ATOM 171 O GLY A 11 6.340 20.851 -20.383 1.00 60.32 O ATOM 0 H GLY A 11 9.299 22.135 -18.537 1.00 31.42 H new ATOM 0 HA2 GLY A 11 6.511 23.025 -18.608 1.00 61.43 H new ATOM 0 HA3 GLY A 11 7.427 23.204 -20.091 1.00 61.43 H new ATOM 175 N GLN A 12 7.796 20.287 -18.762 1.00 15.42 N ATOM 176 CA GLN A 12 7.651 18.853 -18.979 1.00 64.15 C ATOM 177 C GLN A 12 7.379 18.128 -17.666 1.00 24.53 C ATOM 178 O GLN A 12 7.980 18.440 -16.638 1.00 53.11 O ATOM 179 CB GLN A 12 8.911 18.286 -19.637 1.00 51.42 C ATOM 180 CG GLN A 12 9.027 18.619 -21.116 1.00 4.41 C ATOM 181 CD GLN A 12 10.465 18.641 -21.598 1.00 15.01 C ATOM 182 OE1 GLN A 12 11.061 17.595 -21.854 1.00 62.13 O ATOM 183 NE2 GLN A 12 11.029 19.836 -21.724 1.00 50.30 N ATOM 0 H GLN A 12 8.447 20.537 -18.018 1.00 15.42 H new ATOM 0 HA GLN A 12 6.800 18.696 -19.642 1.00 64.15 H new ATOM 0 HB2 GLN A 12 9.788 18.671 -19.116 1.00 51.42 H new ATOM 0 HB3 GLN A 12 8.919 17.203 -19.515 1.00 51.42 H new ATOM 0 HG2 GLN A 12 8.465 17.886 -21.695 1.00 4.41 H new ATOM 0 HG3 GLN A 12 8.570 19.591 -21.303 1.00 4.41 H new ATOM 0 HE21 GLN A 12 10.497 20.677 -21.500 1.00 50.30 H new ATOM 0 HE22 GLN A 12 11.994 19.913 -22.044 1.00 50.30 H new ATOM 192 N GLU A 13 6.471 17.158 -17.708 1.00 14.23 N ATOM 193 CA GLU A 13 6.119 16.390 -16.519 1.00 70.23 C ATOM 194 C GLU A 13 6.774 15.012 -16.549 1.00 22.12 C ATOM 195 O GLU A 13 6.884 14.387 -17.604 1.00 52.11 O ATOM 196 CB GLU A 13 4.600 16.242 -16.411 1.00 52.04 C ATOM 197 CG GLU A 13 3.886 17.535 -16.054 1.00 24.04 C ATOM 198 CD GLU A 13 2.672 17.307 -15.174 1.00 44.21 C ATOM 199 OE1 GLU A 13 1.623 16.890 -15.708 1.00 44.15 O ATOM 200 OE2 GLU A 13 2.771 17.546 -13.952 1.00 53.15 O ATOM 0 H GLU A 13 5.966 16.885 -18.551 1.00 14.23 H new ATOM 0 HA GLU A 13 6.487 16.930 -15.647 1.00 70.23 H new ATOM 0 HB2 GLU A 13 4.211 15.872 -17.360 1.00 52.04 H new ATOM 0 HB3 GLU A 13 4.369 15.489 -15.657 1.00 52.04 H new ATOM 0 HG2 GLU A 13 4.581 18.200 -15.542 1.00 24.04 H new ATOM 0 HG3 GLU A 13 3.577 18.040 -16.969 1.00 24.04 H new ATOM 207 N TYR A 14 7.208 14.545 -15.384 1.00 23.04 N ATOM 208 CA TYR A 14 7.856 13.243 -15.275 1.00 75.12 C ATOM 209 C TYR A 14 7.328 12.471 -14.070 1.00 21.04 C ATOM 210 O TYR A 14 7.487 12.899 -12.926 1.00 62.34 O ATOM 211 CB TYR A 14 9.372 13.411 -15.163 1.00 53.44 C ATOM 212 CG TYR A 14 10.004 14.029 -16.390 1.00 24.00 C ATOM 213 CD1 TYR A 14 9.973 15.403 -16.595 1.00 35.02 C ATOM 214 CD2 TYR A 14 10.633 13.239 -17.344 1.00 61.13 C ATOM 215 CE1 TYR A 14 10.549 15.972 -17.714 1.00 74.23 C ATOM 216 CE2 TYR A 14 11.213 13.799 -18.466 1.00 1.21 C ATOM 217 CZ TYR A 14 11.168 15.166 -18.647 1.00 21.15 C ATOM 218 OH TYR A 14 11.743 15.728 -19.763 1.00 64.32 O ATOM 0 H TYR A 14 7.123 15.049 -14.501 1.00 23.04 H new ATOM 0 HA TYR A 14 7.626 12.675 -16.177 1.00 75.12 H new ATOM 0 HB2 TYR A 14 9.597 14.032 -14.296 1.00 53.44 H new ATOM 0 HB3 TYR A 14 9.825 12.436 -14.983 1.00 53.44 H new ATOM 0 HD1 TYR A 14 9.490 16.037 -15.866 1.00 35.02 H new ATOM 0 HD2 TYR A 14 10.669 12.168 -17.206 1.00 61.13 H new ATOM 0 HE1 TYR A 14 10.515 17.042 -17.858 1.00 74.23 H new ATOM 0 HE2 TYR A 14 11.699 13.170 -19.197 1.00 1.21 H new ATOM 0 HH TYR A 14 11.099 16.326 -20.197 1.00 64.32 H new ATOM 228 N SER A 15 6.700 11.330 -14.335 1.00 13.04 N ATOM 229 CA SER A 15 6.145 10.498 -13.273 1.00 2.31 C ATOM 230 C SER A 15 7.228 9.626 -12.645 1.00 32.20 C ATOM 231 O SER A 15 8.009 8.984 -13.347 1.00 45.43 O ATOM 232 CB SER A 15 5.019 9.619 -13.820 1.00 43.03 C ATOM 233 OG SER A 15 5.496 8.755 -14.838 1.00 14.23 O ATOM 0 H SER A 15 6.563 10.960 -15.276 1.00 13.04 H new ATOM 0 HA SER A 15 5.741 11.156 -12.503 1.00 2.31 H new ATOM 0 HB2 SER A 15 4.588 9.030 -13.011 1.00 43.03 H new ATOM 0 HB3 SER A 15 4.222 10.248 -14.216 1.00 43.03 H new ATOM 0 HG SER A 15 4.758 8.202 -15.170 1.00 14.23 H new ATOM 239 N VAL A 16 7.267 9.607 -11.316 1.00 61.14 N ATOM 240 CA VAL A 16 8.252 8.813 -10.592 1.00 23.11 C ATOM 241 C VAL A 16 7.697 7.438 -10.237 1.00 13.42 C ATOM 242 O VAL A 16 6.554 7.313 -9.795 1.00 20.20 O ATOM 243 CB VAL A 16 8.704 9.521 -9.301 1.00 3.01 C ATOM 244 CG1 VAL A 16 9.703 8.661 -8.542 1.00 1.04 C ATOM 245 CG2 VAL A 16 9.298 10.885 -9.621 1.00 74.45 C ATOM 0 H VAL A 16 6.628 10.132 -10.720 1.00 61.14 H new ATOM 0 HA VAL A 16 9.111 8.695 -11.253 1.00 23.11 H new ATOM 0 HB VAL A 16 7.832 9.670 -8.665 1.00 3.01 H new ATOM 0 HG11 VAL A 16 10.011 9.178 -7.633 1.00 1.04 H new ATOM 0 HG12 VAL A 16 9.239 7.710 -8.280 1.00 1.04 H new ATOM 0 HG13 VAL A 16 10.576 8.478 -9.169 1.00 1.04 H new ATOM 0 HG21 VAL A 16 9.612 11.371 -8.697 1.00 74.45 H new ATOM 0 HG22 VAL A 16 10.160 10.762 -10.277 1.00 74.45 H new ATOM 0 HG23 VAL A 16 8.548 11.501 -10.118 1.00 74.45 H new ATOM 255 N THR A 17 8.513 6.407 -10.432 1.00 42.52 N ATOM 256 CA THR A 17 8.104 5.041 -10.133 1.00 51.04 C ATOM 257 C THR A 17 9.288 4.202 -9.668 1.00 21.32 C ATOM 258 O THR A 17 10.001 3.610 -10.479 1.00 42.22 O ATOM 259 CB THR A 17 7.461 4.366 -11.360 1.00 5.01 C ATOM 260 OG1 THR A 17 8.155 4.754 -12.551 1.00 74.35 O ATOM 261 CG2 THR A 17 5.992 4.742 -11.477 1.00 21.02 C ATOM 0 H THR A 17 9.462 6.493 -10.796 1.00 42.52 H new ATOM 0 HA THR A 17 7.367 5.100 -9.332 1.00 51.04 H new ATOM 0 HB THR A 17 7.533 3.286 -11.233 1.00 5.01 H new ATOM 0 HG1 THR A 17 9.109 4.552 -12.454 1.00 74.35 H new ATOM 0 HG21 THR A 17 5.560 4.254 -12.350 1.00 21.02 H new ATOM 0 HG22 THR A 17 5.461 4.419 -10.581 1.00 21.02 H new ATOM 0 HG23 THR A 17 5.900 5.823 -11.583 1.00 21.02 H new ATOM 269 N THR A 18 9.493 4.153 -8.355 1.00 62.51 N ATOM 270 CA THR A 18 10.592 3.386 -7.781 1.00 73.44 C ATOM 271 C THR A 18 10.702 3.622 -6.280 1.00 1.55 C ATOM 272 O THR A 18 11.157 2.753 -5.535 1.00 74.42 O ATOM 273 CB THR A 18 11.934 3.744 -8.446 1.00 63.21 C ATOM 274 OG1 THR A 18 13.021 3.272 -7.641 1.00 54.21 O ATOM 275 CG2 THR A 18 12.057 5.247 -8.642 1.00 40.31 C ATOM 0 H THR A 18 8.912 4.636 -7.669 1.00 62.51 H new ATOM 0 HA THR A 18 10.373 2.334 -7.965 1.00 73.44 H new ATOM 0 HB THR A 18 11.970 3.262 -9.423 1.00 63.21 H new ATOM 0 HG1 THR A 18 13.871 3.502 -8.071 1.00 54.21 H new ATOM 0 HG21 THR A 18 13.013 5.475 -9.113 1.00 40.31 H new ATOM 0 HG22 THR A 18 11.245 5.599 -9.279 1.00 40.31 H new ATOM 0 HG23 THR A 18 12.001 5.746 -7.674 1.00 40.31 H new ATOM 283 N LEU A 19 10.283 4.804 -5.839 1.00 63.24 N ATOM 284 CA LEU A 19 10.334 5.155 -4.424 1.00 44.14 C ATOM 285 C LEU A 19 9.086 4.667 -3.697 1.00 32.02 C ATOM 286 O LEU A 19 8.011 4.566 -4.288 1.00 34.25 O ATOM 287 CB LEU A 19 10.476 6.669 -4.259 1.00 55.23 C ATOM 288 CG LEU A 19 11.862 7.174 -3.857 1.00 53.35 C ATOM 289 CD1 LEU A 19 12.184 6.769 -2.427 1.00 55.24 C ATOM 290 CD2 LEU A 19 12.920 6.645 -4.815 1.00 1.55 C ATOM 0 H LEU A 19 9.904 5.535 -6.441 1.00 63.24 H new ATOM 0 HA LEU A 19 11.203 4.665 -3.984 1.00 44.14 H new ATOM 0 HB2 LEU A 19 10.197 7.144 -5.199 1.00 55.23 H new ATOM 0 HB3 LEU A 19 9.759 7.001 -3.509 1.00 55.23 H new ATOM 0 HG LEU A 19 11.862 8.263 -3.912 1.00 53.35 H new ATOM 0 HD11 LEU A 19 13.174 7.137 -2.159 1.00 55.24 H new ATOM 0 HD12 LEU A 19 11.443 7.197 -1.752 1.00 55.24 H new ATOM 0 HD13 LEU A 19 12.166 5.682 -2.344 1.00 55.24 H new ATOM 0 HD21 LEU A 19 13.900 7.014 -4.514 1.00 1.55 H new ATOM 0 HD22 LEU A 19 12.920 5.555 -4.792 1.00 1.55 H new ATOM 0 HD23 LEU A 19 12.698 6.986 -5.826 1.00 1.55 H new ATOM 302 N SER A 20 9.236 4.368 -2.410 1.00 73.44 N ATOM 303 CA SER A 20 8.121 3.889 -1.602 1.00 74.30 C ATOM 304 C SER A 20 8.037 4.653 -0.284 1.00 51.45 C ATOM 305 O SER A 20 8.953 5.393 0.075 1.00 34.40 O ATOM 306 CB SER A 20 8.269 2.391 -1.327 1.00 12.00 C ATOM 307 OG SER A 20 9.575 1.941 -1.642 1.00 42.51 O ATOM 0 H SER A 20 10.119 4.449 -1.905 1.00 73.44 H new ATOM 0 HA SER A 20 7.201 4.060 -2.160 1.00 74.30 H new ATOM 0 HB2 SER A 20 8.054 2.188 -0.278 1.00 12.00 H new ATOM 0 HB3 SER A 20 7.538 1.836 -1.915 1.00 12.00 H new ATOM 0 HG SER A 20 10.233 2.486 -1.162 1.00 42.51 H new ATOM 313 N GLU A 21 6.931 4.469 0.430 1.00 3.23 N ATOM 314 CA GLU A 21 6.727 5.142 1.708 1.00 42.34 C ATOM 315 C GLU A 21 7.827 4.773 2.699 1.00 41.21 C ATOM 316 O GLU A 21 8.084 5.502 3.657 1.00 12.14 O ATOM 317 CB GLU A 21 5.359 4.779 2.288 1.00 21.42 C ATOM 318 CG GLU A 21 4.214 4.956 1.305 1.00 21.22 C ATOM 319 CD GLU A 21 2.866 4.623 1.914 1.00 13.51 C ATOM 320 OE1 GLU A 21 2.828 4.246 3.104 1.00 40.42 O ATOM 321 OE2 GLU A 21 1.848 4.741 1.200 1.00 52.10 O ATOM 0 H GLU A 21 6.163 3.860 0.146 1.00 3.23 H new ATOM 0 HA GLU A 21 6.765 6.217 1.534 1.00 42.34 H new ATOM 0 HB2 GLU A 21 5.380 3.743 2.625 1.00 21.42 H new ATOM 0 HB3 GLU A 21 5.171 5.396 3.167 1.00 21.42 H new ATOM 0 HG2 GLU A 21 4.203 5.986 0.948 1.00 21.22 H new ATOM 0 HG3 GLU A 21 4.384 4.319 0.437 1.00 21.22 H new ATOM 328 N ASP A 22 8.472 3.637 2.461 1.00 25.21 N ATOM 329 CA ASP A 22 9.545 3.170 3.332 1.00 61.11 C ATOM 330 C ASP A 22 10.755 4.095 3.248 1.00 40.34 C ATOM 331 O ASP A 22 11.671 4.011 4.066 1.00 42.43 O ATOM 332 CB ASP A 22 9.951 1.744 2.957 1.00 61.21 C ATOM 333 CG ASP A 22 9.797 0.775 4.113 1.00 40.11 C ATOM 334 OD1 ASP A 22 8.775 0.860 4.826 1.00 21.41 O ATOM 335 OD2 ASP A 22 10.698 -0.068 4.304 1.00 50.00 O ATOM 0 H ASP A 22 8.271 3.022 1.672 1.00 25.21 H new ATOM 0 HA ASP A 22 9.176 3.177 4.358 1.00 61.11 H new ATOM 0 HB2 ASP A 22 9.342 1.405 2.119 1.00 61.21 H new ATOM 0 HB3 ASP A 22 10.988 1.741 2.620 1.00 61.21 H new ATOM 340 N ASP A 23 10.752 4.976 2.253 1.00 35.01 N ATOM 341 CA ASP A 23 11.849 5.917 2.062 1.00 53.34 C ATOM 342 C ASP A 23 11.471 7.304 2.574 1.00 72.24 C ATOM 343 O ASP A 23 10.700 7.438 3.524 1.00 12.15 O ATOM 344 CB ASP A 23 12.232 5.993 0.583 1.00 52.12 C ATOM 345 CG ASP A 23 12.292 4.626 -0.070 1.00 52.34 C ATOM 346 OD1 ASP A 23 11.218 4.073 -0.390 1.00 4.22 O ATOM 347 OD2 ASP A 23 13.412 4.110 -0.263 1.00 62.01 O ATOM 0 H ASP A 23 10.002 5.058 1.567 1.00 35.01 H new ATOM 0 HA ASP A 23 12.705 5.559 2.634 1.00 53.34 H new ATOM 0 HB2 ASP A 23 11.508 6.613 0.055 1.00 52.12 H new ATOM 0 HB3 ASP A 23 13.202 6.482 0.486 1.00 52.12 H new ATOM 352 N THR A 24 12.020 8.334 1.938 1.00 51.15 N ATOM 353 CA THR A 24 11.743 9.710 2.330 1.00 53.15 C ATOM 354 C THR A 24 11.504 10.592 1.109 1.00 5.12 C ATOM 355 O THR A 24 11.765 10.186 -0.023 1.00 62.13 O ATOM 356 CB THR A 24 12.898 10.302 3.159 1.00 62.33 C ATOM 357 OG1 THR A 24 14.085 9.523 2.971 1.00 71.42 O ATOM 358 CG2 THR A 24 12.539 10.340 4.636 1.00 4.35 C ATOM 0 H THR A 24 12.659 8.241 1.149 1.00 51.15 H new ATOM 0 HA THR A 24 10.841 9.689 2.942 1.00 53.15 H new ATOM 0 HB THR A 24 13.076 11.322 2.818 1.00 62.33 H new ATOM 0 HG1 THR A 24 14.815 9.907 3.500 1.00 71.42 H new ATOM 0 HG21 THR A 24 13.370 10.762 5.202 1.00 4.35 H new ATOM 0 HG22 THR A 24 11.652 10.957 4.779 1.00 4.35 H new ATOM 0 HG23 THR A 24 12.337 9.328 4.988 1.00 4.35 H new ATOM 366 N VAL A 25 11.008 11.802 1.347 1.00 0.01 N ATOM 367 CA VAL A 25 10.736 12.743 0.267 1.00 63.22 C ATOM 368 C VAL A 25 12.018 13.125 -0.464 1.00 43.23 C ATOM 369 O VAL A 25 12.059 13.155 -1.695 1.00 52.21 O ATOM 370 CB VAL A 25 10.058 14.021 0.793 1.00 13.34 C ATOM 371 CG1 VAL A 25 9.893 15.038 -0.326 1.00 2.34 C ATOM 372 CG2 VAL A 25 8.714 13.689 1.425 1.00 3.42 C ATOM 0 H VAL A 25 10.786 12.154 2.278 1.00 0.01 H new ATOM 0 HA VAL A 25 10.061 12.242 -0.427 1.00 63.22 H new ATOM 0 HB VAL A 25 10.696 14.461 1.560 1.00 13.34 H new ATOM 0 HG11 VAL A 25 9.412 15.935 0.065 1.00 2.34 H new ATOM 0 HG12 VAL A 25 10.872 15.298 -0.729 1.00 2.34 H new ATOM 0 HG13 VAL A 25 9.277 14.611 -1.117 1.00 2.34 H new ATOM 0 HG21 VAL A 25 8.248 14.604 1.792 1.00 3.42 H new ATOM 0 HG22 VAL A 25 8.067 13.225 0.681 1.00 3.42 H new ATOM 0 HG23 VAL A 25 8.863 13.000 2.256 1.00 3.42 H new ATOM 382 N LEU A 26 13.064 13.417 0.301 1.00 65.43 N ATOM 383 CA LEU A 26 14.350 13.797 -0.274 1.00 42.01 C ATOM 384 C LEU A 26 14.899 12.686 -1.164 1.00 52.52 C ATOM 385 O LEU A 26 15.643 12.946 -2.110 1.00 24.24 O ATOM 386 CB LEU A 26 15.352 14.118 0.836 1.00 3.21 C ATOM 387 CG LEU A 26 16.320 12.995 1.213 1.00 53.54 C ATOM 388 CD1 LEU A 26 17.560 13.042 0.333 1.00 34.13 C ATOM 389 CD2 LEU A 26 16.702 13.091 2.682 1.00 10.44 C ATOM 0 H LEU A 26 13.047 13.398 1.321 1.00 65.43 H new ATOM 0 HA LEU A 26 14.198 14.686 -0.886 1.00 42.01 H new ATOM 0 HB2 LEU A 26 15.936 14.986 0.531 1.00 3.21 H new ATOM 0 HB3 LEU A 26 14.796 14.406 1.728 1.00 3.21 H new ATOM 0 HG LEU A 26 15.820 12.040 1.050 1.00 53.54 H new ATOM 0 HD11 LEU A 26 18.237 12.236 0.615 1.00 34.13 H new ATOM 0 HD12 LEU A 26 17.270 12.923 -0.711 1.00 34.13 H new ATOM 0 HD13 LEU A 26 18.062 14.000 0.463 1.00 34.13 H new ATOM 0 HD21 LEU A 26 17.391 12.284 2.932 1.00 10.44 H new ATOM 0 HD22 LEU A 26 17.183 14.051 2.871 1.00 10.44 H new ATOM 0 HD23 LEU A 26 15.806 13.007 3.297 1.00 10.44 H new ATOM 401 N ASP A 27 14.524 11.450 -0.857 1.00 21.43 N ATOM 402 CA ASP A 27 14.976 10.299 -1.631 1.00 13.23 C ATOM 403 C ASP A 27 14.301 10.266 -2.999 1.00 21.25 C ATOM 404 O ASP A 27 14.899 9.838 -3.987 1.00 53.42 O ATOM 405 CB ASP A 27 14.686 9.002 -0.873 1.00 54.44 C ATOM 406 CG ASP A 27 15.801 7.986 -1.018 1.00 22.15 C ATOM 407 OD1 ASP A 27 16.379 7.892 -2.120 1.00 42.43 O ATOM 408 OD2 ASP A 27 16.096 7.283 -0.028 1.00 14.23 O ATOM 0 H ASP A 27 13.908 11.218 -0.078 1.00 21.43 H new ATOM 0 HA ASP A 27 16.052 10.391 -1.779 1.00 13.23 H new ATOM 0 HB2 ASP A 27 14.538 9.227 0.183 1.00 54.44 H new ATOM 0 HB3 ASP A 27 13.755 8.570 -1.240 1.00 54.44 H new ATOM 413 N LEU A 28 13.053 10.718 -3.048 1.00 0.10 N ATOM 414 CA LEU A 28 12.296 10.739 -4.295 1.00 13.33 C ATOM 415 C LEU A 28 12.674 11.951 -5.141 1.00 31.31 C ATOM 416 O LEU A 28 12.942 11.828 -6.336 1.00 71.33 O ATOM 417 CB LEU A 28 10.794 10.756 -4.002 1.00 64.22 C ATOM 418 CG LEU A 28 9.890 10.203 -5.104 1.00 53.53 C ATOM 419 CD1 LEU A 28 8.794 9.334 -4.509 1.00 75.51 C ATOM 420 CD2 LEU A 28 9.288 11.339 -5.920 1.00 24.13 C ATOM 0 H LEU A 28 12.544 11.075 -2.239 1.00 0.10 H new ATOM 0 HA LEU A 28 12.541 9.837 -4.856 1.00 13.33 H new ATOM 0 HB2 LEU A 28 10.615 10.184 -3.092 1.00 64.22 H new ATOM 0 HB3 LEU A 28 10.496 11.784 -3.796 1.00 64.22 H new ATOM 0 HG LEU A 28 10.495 9.586 -5.768 1.00 53.53 H new ATOM 0 HD11 LEU A 28 8.161 8.949 -5.308 1.00 75.51 H new ATOM 0 HD12 LEU A 28 9.243 8.501 -3.969 1.00 75.51 H new ATOM 0 HD13 LEU A 28 8.191 9.928 -3.822 1.00 75.51 H new ATOM 0 HD21 LEU A 28 8.647 10.927 -6.700 1.00 24.13 H new ATOM 0 HD22 LEU A 28 8.698 11.982 -5.268 1.00 24.13 H new ATOM 0 HD23 LEU A 28 10.087 11.922 -6.377 1.00 24.13 H new ATOM 432 N LYS A 29 12.696 13.121 -4.513 1.00 15.34 N ATOM 433 CA LYS A 29 13.044 14.356 -5.206 1.00 24.24 C ATOM 434 C LYS A 29 14.468 14.291 -5.750 1.00 74.53 C ATOM 435 O LYS A 29 14.692 14.475 -6.946 1.00 45.11 O ATOM 436 CB LYS A 29 12.903 15.552 -4.262 1.00 14.22 C ATOM 437 CG LYS A 29 11.551 16.240 -4.351 1.00 4.32 C ATOM 438 CD LYS A 29 10.547 15.623 -3.392 1.00 61.11 C ATOM 439 CE LYS A 29 9.685 14.578 -4.084 1.00 42.23 C ATOM 440 NZ LYS A 29 8.246 14.962 -4.091 1.00 4.11 N ATOM 0 H LYS A 29 12.477 13.240 -3.524 1.00 15.34 H new ATOM 0 HA LYS A 29 12.358 14.479 -6.044 1.00 24.24 H new ATOM 0 HB2 LYS A 29 13.064 15.217 -3.237 1.00 14.22 H new ATOM 0 HB3 LYS A 29 13.686 16.276 -4.487 1.00 14.22 H new ATOM 0 HG2 LYS A 29 11.666 17.300 -4.126 1.00 4.32 H new ATOM 0 HG3 LYS A 29 11.172 16.169 -5.371 1.00 4.32 H new ATOM 0 HD2 LYS A 29 11.075 15.165 -2.556 1.00 61.11 H new ATOM 0 HD3 LYS A 29 9.911 16.405 -2.977 1.00 61.11 H new ATOM 0 HE2 LYS A 29 10.030 14.444 -5.109 1.00 42.23 H new ATOM 0 HE3 LYS A 29 9.802 13.619 -3.580 1.00 42.23 H new ATOM 0 HZ1 LYS A 29 7.809 14.654 -4.983 1.00 4.11 H new ATOM 0 HZ2 LYS A 29 7.761 14.506 -3.292 1.00 4.11 H new ATOM 0 HZ3 LYS A 29 8.162 15.995 -4.003 1.00 4.11 H new ATOM 454 N GLN A 30 15.423 14.026 -4.866 1.00 25.53 N ATOM 455 CA GLN A 30 16.824 13.935 -5.260 1.00 5.25 C ATOM 456 C GLN A 30 17.019 12.875 -6.339 1.00 3.51 C ATOM 457 O GLN A 30 17.995 12.911 -7.089 1.00 74.04 O ATOM 458 CB GLN A 30 17.697 13.611 -4.046 1.00 64.30 C ATOM 459 CG GLN A 30 17.809 12.122 -3.757 1.00 54.42 C ATOM 460 CD GLN A 30 19.020 11.489 -4.413 1.00 51.52 C ATOM 461 OE1 GLN A 30 19.809 12.168 -5.072 1.00 32.42 O ATOM 462 NE2 GLN A 30 19.174 10.182 -4.236 1.00 40.52 N ATOM 0 H GLN A 30 15.253 13.870 -3.872 1.00 25.53 H new ATOM 0 HA GLN A 30 17.124 14.901 -5.667 1.00 5.25 H new ATOM 0 HB2 GLN A 30 18.695 14.017 -4.208 1.00 64.30 H new ATOM 0 HB3 GLN A 30 17.287 14.113 -3.170 1.00 64.30 H new ATOM 0 HG2 GLN A 30 17.863 11.968 -2.679 1.00 54.42 H new ATOM 0 HG3 GLN A 30 16.907 11.619 -4.106 1.00 54.42 H new ATOM 0 HE21 GLN A 30 18.496 9.659 -3.682 1.00 40.52 H new ATOM 0 HE22 GLN A 30 19.971 9.701 -4.654 1.00 40.52 H new ATOM 471 N PHE A 31 16.085 11.933 -6.411 1.00 63.11 N ATOM 472 CA PHE A 31 16.155 10.862 -7.398 1.00 70.31 C ATOM 473 C PHE A 31 15.720 11.360 -8.773 1.00 64.03 C ATOM 474 O PHE A 31 16.456 11.234 -9.753 1.00 70.42 O ATOM 475 CB PHE A 31 15.276 9.685 -6.968 1.00 51.41 C ATOM 476 CG PHE A 31 15.191 8.593 -7.996 1.00 3.23 C ATOM 477 CD1 PHE A 31 14.243 8.645 -9.004 1.00 73.33 C ATOM 478 CD2 PHE A 31 16.060 7.515 -7.953 1.00 22.22 C ATOM 479 CE1 PHE A 31 14.162 7.641 -9.952 1.00 4.53 C ATOM 480 CE2 PHE A 31 15.985 6.509 -8.898 1.00 30.03 C ATOM 481 CZ PHE A 31 15.034 6.572 -9.898 1.00 21.34 C ATOM 0 H PHE A 31 15.271 11.889 -5.798 1.00 63.11 H new ATOM 0 HA PHE A 31 17.191 10.529 -7.463 1.00 70.31 H new ATOM 0 HB2 PHE A 31 15.668 9.269 -6.040 1.00 51.41 H new ATOM 0 HB3 PHE A 31 14.272 10.051 -6.754 1.00 51.41 H new ATOM 0 HD1 PHE A 31 13.559 9.479 -9.051 1.00 73.33 H new ATOM 0 HD2 PHE A 31 16.804 7.460 -7.172 1.00 22.22 H new ATOM 0 HE1 PHE A 31 13.418 7.693 -10.733 1.00 4.53 H new ATOM 0 HE2 PHE A 31 16.669 5.675 -8.855 1.00 30.03 H new ATOM 0 HZ PHE A 31 14.973 5.786 -10.636 1.00 21.34 H new ATOM 491 N LEU A 32 14.520 11.926 -8.839 1.00 4.25 N ATOM 492 CA LEU A 32 13.986 12.444 -10.093 1.00 71.23 C ATOM 493 C LEU A 32 14.777 13.661 -10.561 1.00 61.14 C ATOM 494 O LEU A 32 15.094 13.792 -11.744 1.00 23.12 O ATOM 495 CB LEU A 32 12.511 12.813 -9.928 1.00 74.13 C ATOM 496 CG LEU A 32 12.172 13.707 -8.735 1.00 51.21 C ATOM 497 CD1 LEU A 32 12.171 15.171 -9.148 1.00 60.23 C ATOM 498 CD2 LEU A 32 10.826 13.318 -8.142 1.00 32.21 C ATOM 0 H LEU A 32 13.898 12.038 -8.038 1.00 4.25 H new ATOM 0 HA LEU A 32 14.077 11.663 -10.848 1.00 71.23 H new ATOM 0 HB2 LEU A 32 12.178 13.313 -10.837 1.00 74.13 H new ATOM 0 HB3 LEU A 32 11.934 11.892 -9.842 1.00 74.13 H new ATOM 0 HG LEU A 32 12.937 13.566 -7.972 1.00 51.21 H new ATOM 0 HD11 LEU A 32 11.928 15.792 -8.286 1.00 60.23 H new ATOM 0 HD12 LEU A 32 13.157 15.443 -9.525 1.00 60.23 H new ATOM 0 HD13 LEU A 32 11.428 15.328 -9.930 1.00 60.23 H new ATOM 0 HD21 LEU A 32 10.601 13.965 -7.294 1.00 32.21 H new ATOM 0 HD22 LEU A 32 10.049 13.429 -8.899 1.00 32.21 H new ATOM 0 HD23 LEU A 32 10.862 12.281 -7.808 1.00 32.21 H new ATOM 510 N LYS A 33 15.095 14.549 -9.626 1.00 22.03 N ATOM 511 CA LYS A 33 15.853 15.754 -9.940 1.00 52.41 C ATOM 512 C LYS A 33 17.160 15.407 -10.645 1.00 3.03 C ATOM 513 O LYS A 33 17.691 16.203 -11.420 1.00 52.13 O ATOM 514 CB LYS A 33 16.144 16.546 -8.663 1.00 50.12 C ATOM 515 CG LYS A 33 17.601 16.949 -8.517 1.00 10.54 C ATOM 516 CD LYS A 33 18.436 15.822 -7.932 1.00 54.13 C ATOM 517 CE LYS A 33 19.843 15.814 -8.509 1.00 1.11 C ATOM 518 NZ LYS A 33 20.855 16.250 -7.507 1.00 63.42 N ATOM 0 H LYS A 33 14.839 14.457 -8.643 1.00 22.03 H new ATOM 0 HA LYS A 33 15.251 16.367 -10.611 1.00 52.41 H new ATOM 0 HB2 LYS A 33 15.525 17.443 -8.653 1.00 50.12 H new ATOM 0 HB3 LYS A 33 15.853 15.947 -7.800 1.00 50.12 H new ATOM 0 HG2 LYS A 33 18.001 17.231 -9.491 1.00 10.54 H new ATOM 0 HG3 LYS A 33 17.674 17.828 -7.876 1.00 10.54 H new ATOM 0 HD2 LYS A 33 18.486 15.930 -6.849 1.00 54.13 H new ATOM 0 HD3 LYS A 33 17.953 14.866 -8.135 1.00 54.13 H new ATOM 0 HE2 LYS A 33 20.087 14.811 -8.859 1.00 1.11 H new ATOM 0 HE3 LYS A 33 19.884 16.472 -9.377 1.00 1.11 H new ATOM 0 HZ1 LYS A 33 21.748 16.476 -7.991 1.00 63.42 H new ATOM 0 HZ2 LYS A 33 20.508 17.094 -7.008 1.00 63.42 H new ATOM 0 HZ3 LYS A 33 21.017 15.485 -6.822 1.00 63.42 H new ATOM 532 N THR A 34 17.675 14.212 -10.371 1.00 44.24 N ATOM 533 CA THR A 34 18.920 13.759 -10.979 1.00 42.52 C ATOM 534 C THR A 34 18.688 13.259 -12.400 1.00 41.03 C ATOM 535 O THR A 34 19.606 13.242 -13.221 1.00 41.34 O ATOM 536 CB THR A 34 19.573 12.636 -10.152 1.00 4.32 C ATOM 537 OG1 THR A 34 20.986 12.855 -10.058 1.00 75.53 O ATOM 538 CG2 THR A 34 19.306 11.276 -10.779 1.00 53.50 C ATOM 0 H THR A 34 17.249 13.541 -9.732 1.00 44.24 H new ATOM 0 HA THR A 34 19.590 14.618 -11.004 1.00 42.52 H new ATOM 0 HB THR A 34 19.136 12.650 -9.153 1.00 4.32 H new ATOM 0 HG1 THR A 34 21.394 12.138 -9.529 1.00 75.53 H new ATOM 0 HG21 THR A 34 19.777 10.499 -10.177 1.00 53.50 H new ATOM 0 HG22 THR A 34 18.231 11.100 -10.822 1.00 53.50 H new ATOM 0 HG23 THR A 34 19.718 11.253 -11.788 1.00 53.50 H new ATOM 546 N LEU A 35 17.456 12.852 -12.685 1.00 50.43 N ATOM 547 CA LEU A 35 17.103 12.352 -14.009 1.00 74.32 C ATOM 548 C LEU A 35 16.949 13.499 -15.002 1.00 44.23 C ATOM 549 O LEU A 35 17.648 13.557 -16.015 1.00 24.33 O ATOM 550 CB LEU A 35 15.805 11.544 -13.941 1.00 41.41 C ATOM 551 CG LEU A 35 15.659 10.609 -12.740 1.00 72.15 C ATOM 552 CD1 LEU A 35 14.304 9.919 -12.763 1.00 72.24 C ATOM 553 CD2 LEU A 35 16.782 9.582 -12.724 1.00 40.33 C ATOM 0 H LEU A 35 16.685 12.858 -12.017 1.00 50.43 H new ATOM 0 HA LEU A 35 17.910 11.705 -14.352 1.00 74.32 H new ATOM 0 HB2 LEU A 35 14.967 12.241 -13.938 1.00 41.41 H new ATOM 0 HB3 LEU A 35 15.722 10.950 -14.851 1.00 41.41 H new ATOM 0 HG LEU A 35 15.725 11.205 -11.830 1.00 72.15 H new ATOM 0 HD11 LEU A 35 14.218 9.258 -11.901 1.00 72.24 H new ATOM 0 HD12 LEU A 35 13.513 10.668 -12.726 1.00 72.24 H new ATOM 0 HD13 LEU A 35 14.208 9.336 -13.679 1.00 72.24 H new ATOM 0 HD21 LEU A 35 16.662 8.925 -11.863 1.00 40.33 H new ATOM 0 HD22 LEU A 35 16.747 8.991 -13.639 1.00 40.33 H new ATOM 0 HD23 LEU A 35 17.742 10.094 -12.659 1.00 40.33 H new ATOM 565 N THR A 36 16.031 14.414 -14.705 1.00 63.23 N ATOM 566 CA THR A 36 15.787 15.561 -15.571 1.00 31.42 C ATOM 567 C THR A 36 15.675 16.847 -14.761 1.00 20.15 C ATOM 568 O THR A 36 15.979 17.932 -15.255 1.00 23.34 O ATOM 569 CB THR A 36 14.501 15.375 -16.399 1.00 4.50 C ATOM 570 OG1 THR A 36 14.225 16.565 -17.147 1.00 20.20 O ATOM 571 CG2 THR A 36 13.319 15.051 -15.498 1.00 64.21 C ATOM 0 H THR A 36 15.444 14.383 -13.871 1.00 63.23 H new ATOM 0 HA THR A 36 16.639 15.634 -16.247 1.00 31.42 H new ATOM 0 HB THR A 36 14.653 14.542 -17.085 1.00 4.50 H new ATOM 0 HG1 THR A 36 13.506 16.389 -17.789 1.00 20.20 H new ATOM 0 HG21 THR A 36 12.423 14.924 -16.105 1.00 64.21 H new ATOM 0 HG22 THR A 36 13.520 14.130 -14.951 1.00 64.21 H new ATOM 0 HG23 THR A 36 13.166 15.867 -14.791 1.00 64.21 H new ATOM 579 N GLY A 37 15.237 16.718 -13.512 1.00 13.42 N ATOM 580 CA GLY A 37 15.093 17.879 -12.653 1.00 1.22 C ATOM 581 C GLY A 37 16.421 18.544 -12.349 1.00 63.25 C ATOM 582 O GLY A 37 17.461 18.135 -12.866 1.00 60.52 O ATOM 0 H GLY A 37 14.979 15.831 -13.080 1.00 13.42 H new ATOM 0 HA2 GLY A 37 14.430 18.600 -13.131 1.00 1.22 H new ATOM 0 HA3 GLY A 37 14.618 17.579 -11.719 1.00 1.22 H new ATOM 586 N VAL A 38 16.388 19.574 -11.510 1.00 32.21 N ATOM 587 CA VAL A 38 17.598 20.297 -11.139 1.00 1.41 C ATOM 588 C VAL A 38 17.927 20.098 -9.664 1.00 11.34 C ATOM 589 O VAL A 38 17.039 20.122 -8.810 1.00 5.13 O ATOM 590 CB VAL A 38 17.461 21.805 -11.424 1.00 74.31 C ATOM 591 CG1 VAL A 38 16.080 22.301 -11.022 1.00 71.41 C ATOM 592 CG2 VAL A 38 18.548 22.585 -10.701 1.00 32.24 C ATOM 0 H VAL A 38 15.536 19.927 -11.074 1.00 32.21 H new ATOM 0 HA VAL A 38 18.407 19.892 -11.747 1.00 1.41 H new ATOM 0 HB VAL A 38 17.581 21.967 -12.495 1.00 74.31 H new ATOM 0 HG11 VAL A 38 16.002 23.368 -11.231 1.00 71.41 H new ATOM 0 HG12 VAL A 38 15.321 21.764 -11.590 1.00 71.41 H new ATOM 0 HG13 VAL A 38 15.927 22.127 -9.957 1.00 71.41 H new ATOM 0 HG21 VAL A 38 18.436 23.648 -10.914 1.00 32.24 H new ATOM 0 HG22 VAL A 38 18.462 22.419 -9.627 1.00 32.24 H new ATOM 0 HG23 VAL A 38 19.526 22.248 -11.043 1.00 32.24 H new ATOM 602 N LEU A 39 19.208 19.903 -9.370 1.00 35.51 N ATOM 603 CA LEU A 39 19.655 19.700 -7.996 1.00 61.33 C ATOM 604 C LEU A 39 19.169 20.829 -7.093 1.00 21.51 C ATOM 605 O LEU A 39 18.995 21.969 -7.522 1.00 40.24 O ATOM 606 CB LEU A 39 21.181 19.611 -7.944 1.00 63.34 C ATOM 607 CG LEU A 39 21.940 20.503 -8.928 1.00 74.41 C ATOM 608 CD1 LEU A 39 21.961 19.873 -10.312 1.00 55.13 C ATOM 609 CD2 LEU A 39 21.316 21.890 -8.980 1.00 72.43 C ATOM 0 H LEU A 39 19.955 19.881 -10.064 1.00 35.51 H new ATOM 0 HA LEU A 39 19.230 18.763 -7.636 1.00 61.33 H new ATOM 0 HB2 LEU A 39 21.505 19.861 -6.934 1.00 63.34 H new ATOM 0 HB3 LEU A 39 21.471 18.576 -8.125 1.00 63.34 H new ATOM 0 HG LEU A 39 22.969 20.602 -8.581 1.00 74.41 H new ATOM 0 HD11 LEU A 39 22.505 20.521 -10.999 1.00 55.13 H new ATOM 0 HD12 LEU A 39 22.454 18.902 -10.262 1.00 55.13 H new ATOM 0 HD13 LEU A 39 20.939 19.743 -10.668 1.00 55.13 H new ATOM 0 HD21 LEU A 39 21.868 22.511 -9.685 1.00 72.43 H new ATOM 0 HD22 LEU A 39 20.278 21.810 -9.303 1.00 72.43 H new ATOM 0 HD23 LEU A 39 21.354 22.343 -7.990 1.00 72.43 H new ATOM 621 N PRO A 40 18.946 20.506 -5.810 1.00 64.02 N ATOM 622 CA PRO A 40 18.480 21.480 -4.819 1.00 22.24 C ATOM 623 C PRO A 40 19.547 22.514 -4.475 1.00 62.34 C ATOM 624 O PRO A 40 19.236 23.603 -3.995 1.00 43.12 O ATOM 625 CB PRO A 40 18.160 20.616 -3.596 1.00 61.32 C ATOM 626 CG PRO A 40 19.020 19.409 -3.749 1.00 45.24 C ATOM 627 CD PRO A 40 19.133 19.166 -5.229 1.00 31.10 C ATOM 0 HA PRO A 40 17.631 22.058 -5.184 1.00 22.24 H new ATOM 0 HB2 PRO A 40 18.381 21.145 -2.669 1.00 61.32 H new ATOM 0 HB3 PRO A 40 17.104 20.348 -3.566 1.00 61.32 H new ATOM 0 HG2 PRO A 40 20.002 19.570 -3.304 1.00 45.24 H new ATOM 0 HG3 PRO A 40 18.579 18.549 -3.245 1.00 45.24 H new ATOM 0 HD2 PRO A 40 20.103 18.745 -5.494 1.00 31.10 H new ATOM 0 HD3 PRO A 40 18.375 18.466 -5.580 1.00 31.10 H new ATOM 635 N GLU A 41 20.805 22.165 -4.725 1.00 63.54 N ATOM 636 CA GLU A 41 21.918 23.064 -4.442 1.00 33.32 C ATOM 637 C GLU A 41 21.708 24.418 -5.114 1.00 32.41 C ATOM 638 O GLU A 41 22.031 25.461 -4.546 1.00 50.01 O ATOM 639 CB GLU A 41 23.235 22.446 -4.915 1.00 22.02 C ATOM 640 CG GLU A 41 24.424 23.386 -4.801 1.00 33.34 C ATOM 641 CD GLU A 41 25.739 22.705 -5.127 1.00 51.31 C ATOM 642 OE1 GLU A 41 25.868 21.496 -4.844 1.00 4.10 O ATOM 643 OE2 GLU A 41 26.639 23.383 -5.666 1.00 52.04 O ATOM 0 H GLU A 41 21.079 21.267 -5.123 1.00 63.54 H new ATOM 0 HA GLU A 41 21.964 23.216 -3.364 1.00 33.32 H new ATOM 0 HB2 GLU A 41 23.435 21.548 -4.331 1.00 22.02 H new ATOM 0 HB3 GLU A 41 23.128 22.134 -5.954 1.00 22.02 H new ATOM 0 HG2 GLU A 41 24.280 24.231 -5.474 1.00 33.34 H new ATOM 0 HG3 GLU A 41 24.469 23.788 -3.789 1.00 33.34 H new ATOM 650 N ARG A 42 21.165 24.392 -6.327 1.00 21.42 N ATOM 651 CA ARG A 42 20.914 25.616 -7.078 1.00 34.24 C ATOM 652 C ARG A 42 19.428 25.962 -7.071 1.00 15.23 C ATOM 653 O ARG A 42 19.053 27.128 -6.949 1.00 4.25 O ATOM 654 CB ARG A 42 21.407 25.466 -8.518 1.00 13.40 C ATOM 655 CG ARG A 42 22.848 25.907 -8.717 1.00 73.02 C ATOM 656 CD ARG A 42 23.695 24.791 -9.308 1.00 30.24 C ATOM 657 NE ARG A 42 25.015 25.263 -9.715 1.00 44.12 N ATOM 658 CZ ARG A 42 25.222 26.058 -10.759 1.00 15.50 C ATOM 659 NH1 ARG A 42 24.199 26.469 -11.496 1.00 72.43 N ATOM 660 NH2 ARG A 42 26.453 26.446 -11.067 1.00 32.43 N ATOM 0 H ARG A 42 20.891 23.537 -6.810 1.00 21.42 H new ATOM 0 HA ARG A 42 21.461 26.427 -6.597 1.00 34.24 H new ATOM 0 HB2 ARG A 42 21.310 24.423 -8.820 1.00 13.40 H new ATOM 0 HB3 ARG A 42 20.763 26.049 -9.176 1.00 13.40 H new ATOM 0 HG2 ARG A 42 22.876 26.775 -9.376 1.00 73.02 H new ATOM 0 HG3 ARG A 42 23.270 26.218 -7.761 1.00 73.02 H new ATOM 0 HD2 ARG A 42 23.806 23.993 -8.574 1.00 30.24 H new ATOM 0 HD3 ARG A 42 23.182 24.363 -10.169 1.00 30.24 H new ATOM 0 HE ARG A 42 25.823 24.966 -9.168 1.00 44.12 H new ATOM 0 HH11 ARG A 42 23.251 26.175 -11.262 1.00 72.43 H new ATOM 0 HH12 ARG A 42 24.360 27.079 -12.297 1.00 72.43 H new ATOM 0 HH21 ARG A 42 27.243 26.134 -10.502 1.00 32.43 H new ATOM 0 HH22 ARG A 42 26.610 27.056 -11.869 1.00 32.43 H new ATOM 674 N GLN A 43 18.587 24.941 -7.203 1.00 53.43 N ATOM 675 CA GLN A 43 17.142 25.139 -7.214 1.00 20.24 C ATOM 676 C GLN A 43 16.549 24.893 -5.830 1.00 61.52 C ATOM 677 O GLN A 43 17.146 24.206 -5.000 1.00 52.42 O ATOM 678 CB GLN A 43 16.486 24.209 -8.236 1.00 22.55 C ATOM 679 CG GLN A 43 16.129 22.842 -7.673 1.00 54.30 C ATOM 680 CD GLN A 43 14.877 22.873 -6.817 1.00 65.35 C ATOM 681 OE1 GLN A 43 13.828 23.507 -7.326 1.00 65.15 O flip ATOM 682 NE2 GLN A 43 14.854 22.332 -5.711 1.00 14.32 N flip ATOM 0 H GLN A 43 18.881 23.969 -7.304 1.00 53.43 H new ATOM 0 HA GLN A 43 16.944 26.173 -7.496 1.00 20.24 H new ATOM 0 HB2 GLN A 43 15.582 24.683 -8.618 1.00 22.55 H new ATOM 0 HB3 GLN A 43 17.160 24.079 -9.083 1.00 22.55 H new ATOM 0 HG2 GLN A 43 15.985 22.141 -8.495 1.00 54.30 H new ATOM 0 HG3 GLN A 43 16.963 22.469 -7.078 1.00 54.30 H new ATOM 0 HE21 GLN A 43 15.684 21.855 -5.359 1.00 14.32 H new ATOM 0 HE22 GLN A 43 14.005 22.360 -5.147 1.00 14.32 H new ATOM 691 N LYS A 44 15.371 25.457 -5.588 1.00 10.11 N ATOM 692 CA LYS A 44 14.695 25.299 -4.305 1.00 65.14 C ATOM 693 C LYS A 44 13.256 24.834 -4.502 1.00 61.13 C ATOM 694 O LYS A 44 12.570 25.279 -5.423 1.00 73.33 O ATOM 695 CB LYS A 44 14.715 26.618 -3.529 1.00 71.33 C ATOM 696 CG LYS A 44 13.626 27.589 -3.953 1.00 23.33 C ATOM 697 CD LYS A 44 13.815 28.047 -5.389 1.00 64.31 C ATOM 698 CE LYS A 44 13.048 29.329 -5.671 1.00 15.12 C ATOM 699 NZ LYS A 44 13.730 30.171 -6.692 1.00 51.20 N ATOM 0 H LYS A 44 14.864 26.028 -6.264 1.00 10.11 H new ATOM 0 HA LYS A 44 15.228 24.540 -3.733 1.00 65.14 H new ATOM 0 HB2 LYS A 44 14.607 26.406 -2.465 1.00 71.33 H new ATOM 0 HB3 LYS A 44 15.687 27.094 -3.662 1.00 71.33 H new ATOM 0 HG2 LYS A 44 12.651 27.113 -3.848 1.00 23.33 H new ATOM 0 HG3 LYS A 44 13.631 28.455 -3.291 1.00 23.33 H new ATOM 0 HD2 LYS A 44 14.875 28.206 -5.585 1.00 64.31 H new ATOM 0 HD3 LYS A 44 13.479 27.264 -6.069 1.00 64.31 H new ATOM 0 HE2 LYS A 44 12.044 29.083 -6.016 1.00 15.12 H new ATOM 0 HE3 LYS A 44 12.938 29.897 -4.747 1.00 15.12 H new ATOM 0 HZ1 LYS A 44 13.065 30.884 -7.054 1.00 51.20 H new ATOM 0 HZ2 LYS A 44 14.547 30.647 -6.260 1.00 51.20 H new ATOM 0 HZ3 LYS A 44 14.055 29.570 -7.476 1.00 51.20 H new ATOM 713 N LEU A 45 12.804 23.938 -3.632 1.00 4.14 N ATOM 714 CA LEU A 45 11.445 23.414 -3.709 1.00 22.12 C ATOM 715 C LEU A 45 10.423 24.506 -3.411 1.00 33.21 C ATOM 716 O LEU A 45 10.586 25.285 -2.471 1.00 21.43 O ATOM 717 CB LEU A 45 11.269 22.253 -2.728 1.00 71.15 C ATOM 718 CG LEU A 45 11.916 20.928 -3.134 1.00 10.14 C ATOM 719 CD1 LEU A 45 11.456 20.512 -4.522 1.00 34.30 C ATOM 720 CD2 LEU A 45 13.433 21.038 -3.083 1.00 51.14 C ATOM 0 H LEU A 45 13.359 23.559 -2.865 1.00 4.14 H new ATOM 0 HA LEU A 45 11.278 23.053 -4.724 1.00 22.12 H new ATOM 0 HB2 LEU A 45 11.678 22.553 -1.763 1.00 71.15 H new ATOM 0 HB3 LEU A 45 10.202 22.084 -2.583 1.00 71.15 H new ATOM 0 HG LEU A 45 11.603 20.161 -2.426 1.00 10.14 H new ATOM 0 HD11 LEU A 45 11.927 19.567 -4.793 1.00 34.30 H new ATOM 0 HD12 LEU A 45 10.373 20.392 -4.525 1.00 34.30 H new ATOM 0 HD13 LEU A 45 11.738 21.279 -5.244 1.00 34.30 H new ATOM 0 HD21 LEU A 45 13.877 20.086 -3.375 1.00 51.14 H new ATOM 0 HD22 LEU A 45 13.764 21.818 -3.768 1.00 51.14 H new ATOM 0 HD23 LEU A 45 13.746 21.288 -2.069 1.00 51.14 H new ATOM 732 N LEU A 46 9.367 24.556 -4.216 1.00 21.11 N ATOM 733 CA LEU A 46 8.315 25.551 -4.038 1.00 5.15 C ATOM 734 C LEU A 46 7.425 25.196 -2.851 1.00 61.21 C ATOM 735 O LEU A 46 7.457 25.861 -1.817 1.00 23.24 O ATOM 736 CB LEU A 46 7.471 25.663 -5.308 1.00 60.21 C ATOM 737 CG LEU A 46 8.088 26.463 -6.456 1.00 12.33 C ATOM 738 CD1 LEU A 46 8.444 27.868 -5.995 1.00 44.23 C ATOM 739 CD2 LEU A 46 9.316 25.751 -7.003 1.00 4.34 C ATOM 0 H LEU A 46 9.217 23.919 -4.998 1.00 21.11 H new ATOM 0 HA LEU A 46 8.788 26.512 -3.839 1.00 5.15 H new ATOM 0 HB2 LEU A 46 7.256 24.657 -5.667 1.00 60.21 H new ATOM 0 HB3 LEU A 46 6.516 26.119 -5.046 1.00 60.21 H new ATOM 0 HG LEU A 46 7.352 26.541 -7.257 1.00 12.33 H new ATOM 0 HD11 LEU A 46 8.882 28.423 -6.825 1.00 44.23 H new ATOM 0 HD12 LEU A 46 7.543 28.378 -5.652 1.00 44.23 H new ATOM 0 HD13 LEU A 46 9.162 27.812 -5.177 1.00 44.23 H new ATOM 0 HD21 LEU A 46 9.742 26.335 -7.819 1.00 4.34 H new ATOM 0 HD22 LEU A 46 10.056 25.642 -6.210 1.00 4.34 H new ATOM 0 HD23 LEU A 46 9.031 24.766 -7.372 1.00 4.34 H new ATOM 751 N GLY A 47 6.632 24.140 -3.008 1.00 55.42 N ATOM 752 CA GLY A 47 5.745 23.714 -1.941 1.00 61.44 C ATOM 753 C GLY A 47 6.306 22.547 -1.153 1.00 62.33 C ATOM 754 O GLY A 47 5.709 21.470 -1.114 1.00 2.04 O ATOM 0 H GLY A 47 6.588 23.572 -3.854 1.00 55.42 H new ATOM 0 HA2 GLY A 47 5.565 24.551 -1.266 1.00 61.44 H new ATOM 0 HA3 GLY A 47 4.781 23.433 -2.365 1.00 61.44 H new ATOM 758 N LEU A 48 7.458 22.758 -0.525 1.00 54.24 N ATOM 759 CA LEU A 48 8.101 21.714 0.265 1.00 43.33 C ATOM 760 C LEU A 48 7.173 21.216 1.368 1.00 42.11 C ATOM 761 O LEU A 48 7.359 20.124 1.905 1.00 25.00 O ATOM 762 CB LEU A 48 9.402 22.238 0.875 1.00 3.30 C ATOM 763 CG LEU A 48 9.268 23.438 1.813 1.00 0.05 C ATOM 764 CD1 LEU A 48 8.964 22.976 3.230 1.00 13.21 C ATOM 765 CD2 LEU A 48 10.535 24.281 1.786 1.00 54.11 C ATOM 0 H LEU A 48 7.966 23.642 -0.548 1.00 54.24 H new ATOM 0 HA LEU A 48 8.328 20.879 -0.398 1.00 43.33 H new ATOM 0 HB2 LEU A 48 9.876 21.424 1.424 1.00 3.30 H new ATOM 0 HB3 LEU A 48 10.077 22.510 0.063 1.00 3.30 H new ATOM 0 HG LEU A 48 8.438 24.054 1.467 1.00 0.05 H new ATOM 0 HD11 LEU A 48 8.872 23.843 3.884 1.00 13.21 H new ATOM 0 HD12 LEU A 48 8.029 22.415 3.237 1.00 13.21 H new ATOM 0 HD13 LEU A 48 9.773 22.338 3.586 1.00 13.21 H new ATOM 0 HD21 LEU A 48 10.421 25.130 2.459 1.00 54.11 H new ATOM 0 HD22 LEU A 48 11.382 23.675 2.106 1.00 54.11 H new ATOM 0 HD23 LEU A 48 10.710 24.642 0.773 1.00 54.11 H new ATOM 777 N LYS A 49 6.171 22.023 1.700 1.00 21.11 N ATOM 778 CA LYS A 49 5.211 21.664 2.737 1.00 74.14 C ATOM 779 C LYS A 49 3.840 21.375 2.132 1.00 23.20 C ATOM 780 O LYS A 49 3.432 22.012 1.161 1.00 0.32 O ATOM 781 CB LYS A 49 5.098 22.789 3.768 1.00 73.11 C ATOM 782 CG LYS A 49 5.566 24.138 3.250 1.00 22.23 C ATOM 783 CD LYS A 49 5.243 25.254 4.230 1.00 64.32 C ATOM 784 CE LYS A 49 6.498 26.001 4.657 1.00 73.41 C ATOM 785 NZ LYS A 49 6.174 27.298 5.313 1.00 25.31 N ATOM 0 H LYS A 49 6.003 22.930 1.266 1.00 21.11 H new ATOM 0 HA LYS A 49 5.569 20.761 3.232 1.00 74.14 H new ATOM 0 HB2 LYS A 49 4.060 22.873 4.089 1.00 73.11 H new ATOM 0 HB3 LYS A 49 5.684 22.524 4.648 1.00 73.11 H new ATOM 0 HG2 LYS A 49 6.641 24.108 3.073 1.00 22.23 H new ATOM 0 HG3 LYS A 49 5.091 24.345 2.291 1.00 22.23 H new ATOM 0 HD2 LYS A 49 4.542 25.951 3.771 1.00 64.32 H new ATOM 0 HD3 LYS A 49 4.750 24.837 5.108 1.00 64.32 H new ATOM 0 HE2 LYS A 49 7.074 25.381 5.343 1.00 73.41 H new ATOM 0 HE3 LYS A 49 7.127 26.182 3.786 1.00 73.41 H new ATOM 0 HZ1 LYS A 49 7.055 27.777 5.589 1.00 25.31 H new ATOM 0 HZ2 LYS A 49 5.646 27.900 4.650 1.00 25.31 H new ATOM 0 HZ3 LYS A 49 5.595 27.124 6.159 1.00 25.31 H new ATOM 799 N VAL A 50 3.134 20.411 2.713 1.00 35.51 N ATOM 800 CA VAL A 50 1.808 20.039 2.233 1.00 11.11 C ATOM 801 C VAL A 50 0.889 19.665 3.391 1.00 41.02 C ATOM 802 O VAL A 50 1.330 19.096 4.390 1.00 62.15 O ATOM 803 CB VAL A 50 1.879 18.859 1.246 1.00 33.43 C ATOM 804 CG1 VAL A 50 2.310 17.588 1.963 1.00 2.31 C ATOM 805 CG2 VAL A 50 0.538 18.661 0.555 1.00 10.41 C ATOM 0 H VAL A 50 3.458 19.873 3.517 1.00 35.51 H new ATOM 0 HA VAL A 50 1.402 20.910 1.718 1.00 11.11 H new ATOM 0 HB VAL A 50 2.624 19.089 0.485 1.00 33.43 H new ATOM 0 HG11 VAL A 50 2.354 16.765 1.250 1.00 2.31 H new ATOM 0 HG12 VAL A 50 3.294 17.737 2.407 1.00 2.31 H new ATOM 0 HG13 VAL A 50 1.590 17.350 2.747 1.00 2.31 H new ATOM 0 HG21 VAL A 50 0.606 17.823 -0.139 1.00 10.41 H new ATOM 0 HG22 VAL A 50 -0.229 18.452 1.301 1.00 10.41 H new ATOM 0 HG23 VAL A 50 0.274 19.565 0.007 1.00 10.41 H new ATOM 815 N LYS A 51 -0.392 19.988 3.250 1.00 10.12 N ATOM 816 CA LYS A 51 -1.376 19.685 4.283 1.00 42.11 C ATOM 817 C LYS A 51 -0.950 20.266 5.627 1.00 1.33 C ATOM 818 O LYS A 51 -1.242 19.700 6.680 1.00 52.32 O ATOM 819 CB LYS A 51 -1.566 18.172 4.407 1.00 62.42 C ATOM 820 CG LYS A 51 -2.046 17.512 3.126 1.00 51.03 C ATOM 821 CD LYS A 51 -3.118 16.471 3.402 1.00 12.42 C ATOM 822 CE LYS A 51 -3.879 16.106 2.137 1.00 34.42 C ATOM 823 NZ LYS A 51 -5.326 16.444 2.243 1.00 43.13 N ATOM 0 H LYS A 51 -0.773 20.460 2.430 1.00 10.12 H new ATOM 0 HA LYS A 51 -2.322 20.141 3.993 1.00 42.11 H new ATOM 0 HB2 LYS A 51 -0.621 17.719 4.707 1.00 62.42 H new ATOM 0 HB3 LYS A 51 -2.284 17.968 5.202 1.00 62.42 H new ATOM 0 HG2 LYS A 51 -2.440 18.271 2.450 1.00 51.03 H new ATOM 0 HG3 LYS A 51 -1.203 17.042 2.620 1.00 51.03 H new ATOM 0 HD2 LYS A 51 -2.658 15.576 3.822 1.00 12.42 H new ATOM 0 HD3 LYS A 51 -3.814 16.853 4.149 1.00 12.42 H new ATOM 0 HE2 LYS A 51 -3.444 16.632 1.287 1.00 34.42 H new ATOM 0 HE3 LYS A 51 -3.769 15.039 1.942 1.00 34.42 H new ATOM 0 HZ1 LYS A 51 -5.810 16.180 1.361 1.00 43.13 H new ATOM 0 HZ2 LYS A 51 -5.747 15.922 3.038 1.00 43.13 H new ATOM 0 HZ3 LYS A 51 -5.433 17.466 2.404 1.00 43.13 H new ATOM 837 N GLY A 52 -0.258 21.401 5.584 1.00 14.22 N ATOM 838 CA GLY A 52 0.195 22.041 6.806 1.00 72.44 C ATOM 839 C GLY A 52 1.477 21.431 7.338 1.00 54.11 C ATOM 840 O GLY A 52 2.104 21.979 8.244 1.00 3.12 O ATOM 0 H GLY A 52 -0.003 21.889 4.725 1.00 14.22 H new ATOM 0 HA2 GLY A 52 0.352 23.103 6.620 1.00 72.44 H new ATOM 0 HA3 GLY A 52 -0.584 21.962 7.565 1.00 72.44 H new ATOM 844 N LYS A 53 1.867 20.292 6.775 1.00 14.41 N ATOM 845 CA LYS A 53 3.082 19.606 7.198 1.00 53.31 C ATOM 846 C LYS A 53 4.313 20.230 6.548 1.00 12.15 C ATOM 847 O LYS A 53 4.252 20.782 5.450 1.00 42.42 O ATOM 848 CB LYS A 53 3.003 18.120 6.843 1.00 75.25 C ATOM 849 CG LYS A 53 1.982 17.351 7.665 1.00 43.45 C ATOM 850 CD LYS A 53 2.356 17.329 9.137 1.00 34.13 C ATOM 851 CE LYS A 53 2.280 15.922 9.710 1.00 62.21 C ATOM 852 NZ LYS A 53 2.655 15.888 11.151 1.00 43.54 N ATOM 0 H LYS A 53 1.359 19.825 6.024 1.00 14.41 H new ATOM 0 HA LYS A 53 3.171 19.711 8.279 1.00 53.31 H new ATOM 0 HB2 LYS A 53 2.755 18.020 5.786 1.00 75.25 H new ATOM 0 HB3 LYS A 53 3.985 17.669 6.984 1.00 75.25 H new ATOM 0 HG2 LYS A 53 0.999 17.806 7.545 1.00 43.45 H new ATOM 0 HG3 LYS A 53 1.908 16.330 7.292 1.00 43.45 H new ATOM 0 HD2 LYS A 53 3.366 17.720 9.263 1.00 34.13 H new ATOM 0 HD3 LYS A 53 1.688 17.986 9.693 1.00 34.13 H new ATOM 0 HE2 LYS A 53 1.268 15.535 9.589 1.00 62.21 H new ATOM 0 HE3 LYS A 53 2.942 15.264 9.147 1.00 62.21 H new ATOM 0 HZ1 LYS A 53 2.590 14.912 11.504 1.00 43.54 H new ATOM 0 HZ2 LYS A 53 3.629 16.233 11.264 1.00 43.54 H new ATOM 0 HZ3 LYS A 53 2.007 16.495 11.693 1.00 43.54 H new ATOM 866 N PRO A 54 5.458 20.140 7.241 1.00 10.31 N ATOM 867 CA PRO A 54 6.725 20.689 6.750 1.00 65.34 C ATOM 868 C PRO A 54 7.271 19.909 5.558 1.00 51.53 C ATOM 869 O PRO A 54 7.907 20.478 4.671 1.00 54.22 O ATOM 870 CB PRO A 54 7.662 20.551 7.953 1.00 71.44 C ATOM 871 CG PRO A 54 7.094 19.426 8.748 1.00 54.41 C ATOM 872 CD PRO A 54 5.604 19.496 8.557 1.00 34.11 C ATOM 0 HA PRO A 54 6.614 21.713 6.394 1.00 65.34 H new ATOM 0 HB2 PRO A 54 8.683 20.337 7.637 1.00 71.44 H new ATOM 0 HB3 PRO A 54 7.695 21.471 8.537 1.00 71.44 H new ATOM 0 HG2 PRO A 54 7.487 18.469 8.406 1.00 54.41 H new ATOM 0 HG3 PRO A 54 7.357 19.520 9.801 1.00 54.41 H new ATOM 0 HD2 PRO A 54 5.150 18.505 8.572 1.00 34.11 H new ATOM 0 HD3 PRO A 54 5.125 20.078 9.344 1.00 34.11 H new ATOM 880 N ALA A 55 7.018 18.605 5.544 1.00 73.14 N ATOM 881 CA ALA A 55 7.481 17.748 4.459 1.00 4.41 C ATOM 882 C ALA A 55 8.856 18.185 3.964 1.00 1.03 C ATOM 883 O ALA A 55 9.103 18.241 2.760 1.00 32.11 O ATOM 884 CB ALA A 55 6.479 17.757 3.314 1.00 20.05 C ATOM 0 H ALA A 55 6.495 18.118 6.272 1.00 73.14 H new ATOM 0 HA ALA A 55 7.567 16.732 4.843 1.00 4.41 H new ATOM 0 HB1 ALA A 55 6.838 17.113 2.511 1.00 20.05 H new ATOM 0 HB2 ALA A 55 5.516 17.391 3.670 1.00 20.05 H new ATOM 0 HB3 ALA A 55 6.364 18.774 2.939 1.00 20.05 H new ATOM 890 N GLU A 56 9.747 18.494 4.902 1.00 72.04 N ATOM 891 CA GLU A 56 11.096 18.927 4.559 1.00 43.22 C ATOM 892 C GLU A 56 11.823 17.856 3.750 1.00 13.04 C ATOM 893 O GLU A 56 11.968 17.973 2.534 1.00 11.24 O ATOM 894 CB GLU A 56 11.890 19.250 5.827 1.00 54.33 C ATOM 895 CG GLU A 56 13.259 19.849 5.552 1.00 52.00 C ATOM 896 CD GLU A 56 13.363 21.295 5.997 1.00 63.13 C ATOM 897 OE1 GLU A 56 12.334 22.001 5.963 1.00 14.02 O ATOM 898 OE2 GLU A 56 14.474 21.720 6.378 1.00 54.43 O ATOM 0 H GLU A 56 9.559 18.452 5.904 1.00 72.04 H new ATOM 0 HA GLU A 56 11.016 19.827 3.949 1.00 43.22 H new ATOM 0 HB2 GLU A 56 11.315 19.945 6.438 1.00 54.33 H new ATOM 0 HB3 GLU A 56 12.013 18.338 6.411 1.00 54.33 H new ATOM 0 HG2 GLU A 56 14.019 19.259 6.065 1.00 52.00 H new ATOM 0 HG3 GLU A 56 13.472 19.785 4.485 1.00 52.00 H new ATOM 905 N ASN A 57 12.278 16.812 4.436 1.00 14.31 N ATOM 906 CA ASN A 57 12.990 15.720 3.783 1.00 42.32 C ATOM 907 C ASN A 57 12.958 14.459 4.641 1.00 1.41 C ATOM 908 O ASN A 57 12.848 13.347 4.125 1.00 43.24 O ATOM 909 CB ASN A 57 14.439 16.124 3.504 1.00 43.12 C ATOM 910 CG ASN A 57 14.979 17.093 4.538 1.00 21.44 C ATOM 911 OD1 ASN A 57 15.216 18.264 4.244 1.00 11.31 O ATOM 912 ND2 ASN A 57 15.176 16.606 5.758 1.00 24.10 N ATOM 0 H ASN A 57 12.166 16.700 5.444 1.00 14.31 H new ATOM 0 HA ASN A 57 12.490 15.507 2.838 1.00 42.32 H new ATOM 0 HB2 ASN A 57 15.065 15.232 3.485 1.00 43.12 H new ATOM 0 HB3 ASN A 57 14.502 16.579 2.516 1.00 43.12 H new ATOM 0 HD21 ASN A 57 15.538 17.210 6.496 1.00 24.10 H new ATOM 0 HD22 ASN A 57 14.965 15.628 5.957 1.00 24.10 H new ATOM 919 N ASP A 58 13.054 14.641 5.953 1.00 0.25 N ATOM 920 CA ASP A 58 13.034 13.519 6.884 1.00 23.14 C ATOM 921 C ASP A 58 11.667 12.843 6.892 1.00 73.02 C ATOM 922 O ASP A 58 11.486 11.790 7.504 1.00 1.30 O ATOM 923 CB ASP A 58 13.391 13.992 8.294 1.00 31.15 C ATOM 924 CG ASP A 58 14.841 13.722 8.646 1.00 34.34 C ATOM 925 OD1 ASP A 58 15.730 14.242 7.940 1.00 32.30 O ATOM 926 OD2 ASP A 58 15.086 12.991 9.629 1.00 51.12 O ATOM 0 H ASP A 58 13.146 15.555 6.396 1.00 0.25 H new ATOM 0 HA ASP A 58 13.776 12.792 6.554 1.00 23.14 H new ATOM 0 HB2 ASP A 58 13.193 15.061 8.376 1.00 31.15 H new ATOM 0 HB3 ASP A 58 12.746 13.492 9.016 1.00 31.15 H new ATOM 931 N VAL A 59 10.706 13.456 6.208 1.00 35.11 N ATOM 932 CA VAL A 59 9.354 12.914 6.136 1.00 70.23 C ATOM 933 C VAL A 59 9.263 11.802 5.096 1.00 13.25 C ATOM 934 O VAL A 59 9.933 11.845 4.065 1.00 61.33 O ATOM 935 CB VAL A 59 8.328 14.009 5.791 1.00 14.31 C ATOM 936 CG1 VAL A 59 6.910 13.482 5.950 1.00 32.04 C ATOM 937 CG2 VAL A 59 8.549 15.238 6.660 1.00 52.32 C ATOM 0 H VAL A 59 10.839 14.328 5.696 1.00 35.11 H new ATOM 0 HA VAL A 59 9.123 12.507 7.121 1.00 70.23 H new ATOM 0 HB VAL A 59 8.468 14.298 4.749 1.00 14.31 H new ATOM 0 HG11 VAL A 59 6.199 14.270 5.702 1.00 32.04 H new ATOM 0 HG12 VAL A 59 6.760 12.634 5.282 1.00 32.04 H new ATOM 0 HG13 VAL A 59 6.754 13.164 6.981 1.00 32.04 H new ATOM 0 HG21 VAL A 59 7.815 16.002 6.403 1.00 52.32 H new ATOM 0 HG22 VAL A 59 8.437 14.966 7.710 1.00 52.32 H new ATOM 0 HG23 VAL A 59 9.553 15.627 6.491 1.00 52.32 H new ATOM 947 N LYS A 60 8.428 10.807 5.375 1.00 72.31 N ATOM 948 CA LYS A 60 8.246 9.683 4.464 1.00 33.21 C ATOM 949 C LYS A 60 7.120 9.962 3.473 1.00 3.22 C ATOM 950 O LYS A 60 6.184 10.704 3.774 1.00 32.55 O ATOM 951 CB LYS A 60 7.941 8.406 5.251 1.00 3.11 C ATOM 952 CG LYS A 60 9.087 7.950 6.138 1.00 42.41 C ATOM 953 CD LYS A 60 8.957 6.482 6.507 1.00 42.14 C ATOM 954 CE LYS A 60 9.805 6.135 7.721 1.00 42.04 C ATOM 955 NZ LYS A 60 10.040 4.669 7.832 1.00 25.20 N ATOM 0 H LYS A 60 7.866 10.756 6.225 1.00 72.31 H new ATOM 0 HA LYS A 60 9.172 9.547 3.906 1.00 33.21 H new ATOM 0 HB2 LYS A 60 7.058 8.572 5.869 1.00 3.11 H new ATOM 0 HB3 LYS A 60 7.695 7.608 4.551 1.00 3.11 H new ATOM 0 HG2 LYS A 60 10.034 8.114 5.624 1.00 42.41 H new ATOM 0 HG3 LYS A 60 9.108 8.554 7.045 1.00 42.41 H new ATOM 0 HD2 LYS A 60 7.912 6.249 6.713 1.00 42.14 H new ATOM 0 HD3 LYS A 60 9.261 5.865 5.661 1.00 42.14 H new ATOM 0 HE2 LYS A 60 10.762 6.652 7.655 1.00 42.04 H new ATOM 0 HE3 LYS A 60 9.310 6.493 8.624 1.00 42.04 H new ATOM 0 HZ1 LYS A 60 10.622 4.473 8.672 1.00 25.20 H new ATOM 0 HZ2 LYS A 60 9.128 4.177 7.920 1.00 25.20 H new ATOM 0 HZ3 LYS A 60 10.535 4.331 6.982 1.00 25.20 H new ATOM 969 N LEU A 61 7.217 9.364 2.291 1.00 31.31 N ATOM 970 CA LEU A 61 6.206 9.547 1.256 1.00 54.02 C ATOM 971 C LEU A 61 4.806 9.315 1.815 1.00 74.21 C ATOM 972 O LEU A 61 3.897 10.113 1.592 1.00 54.05 O ATOM 973 CB LEU A 61 6.465 8.594 0.087 1.00 1.35 C ATOM 974 CG LEU A 61 7.915 8.493 -0.387 1.00 42.40 C ATOM 975 CD1 LEU A 61 8.020 7.571 -1.592 1.00 33.04 C ATOM 976 CD2 LEU A 61 8.465 9.873 -0.720 1.00 74.10 C ATOM 0 H LEU A 61 7.986 8.748 2.025 1.00 31.31 H new ATOM 0 HA LEU A 61 6.269 10.575 0.899 1.00 54.02 H new ATOM 0 HB2 LEU A 61 6.127 7.598 0.374 1.00 1.35 H new ATOM 0 HB3 LEU A 61 5.849 8.909 -0.756 1.00 1.35 H new ATOM 0 HG LEU A 61 8.512 8.071 0.421 1.00 42.40 H new ATOM 0 HD11 LEU A 61 9.059 7.512 -1.915 1.00 33.04 H new ATOM 0 HD12 LEU A 61 7.667 6.576 -1.321 1.00 33.04 H new ATOM 0 HD13 LEU A 61 7.409 7.964 -2.405 1.00 33.04 H new ATOM 0 HD21 LEU A 61 9.498 9.782 -1.056 1.00 74.10 H new ATOM 0 HD22 LEU A 61 7.865 10.323 -1.511 1.00 74.10 H new ATOM 0 HD23 LEU A 61 8.426 10.504 0.168 1.00 74.10 H new ATOM 988 N GLY A 62 4.640 8.216 2.546 1.00 42.25 N ATOM 989 CA GLY A 62 3.349 7.900 3.127 1.00 31.43 C ATOM 990 C GLY A 62 3.053 8.723 4.365 1.00 24.24 C ATOM 991 O GLY A 62 1.924 8.739 4.853 1.00 33.21 O ATOM 0 H GLY A 62 5.377 7.540 2.746 1.00 42.25 H new ATOM 0 HA2 GLY A 62 2.569 8.071 2.386 1.00 31.43 H new ATOM 0 HA3 GLY A 62 3.319 6.841 3.383 1.00 31.43 H new ATOM 995 N ALA A 63 4.072 9.407 4.876 1.00 12.01 N ATOM 996 CA ALA A 63 3.915 10.236 6.065 1.00 44.23 C ATOM 997 C ALA A 63 3.265 11.572 5.721 1.00 62.14 C ATOM 998 O ALA A 63 2.533 12.144 6.529 1.00 52.10 O ATOM 999 CB ALA A 63 5.264 10.460 6.733 1.00 12.01 C ATOM 0 H ALA A 63 5.014 9.403 4.485 1.00 12.01 H new ATOM 0 HA ALA A 63 3.260 9.711 6.760 1.00 44.23 H new ATOM 0 HB1 ALA A 63 5.132 11.081 7.619 1.00 12.01 H new ATOM 0 HB2 ALA A 63 5.691 9.500 7.022 1.00 12.01 H new ATOM 0 HB3 ALA A 63 5.936 10.961 6.036 1.00 12.01 H new ATOM 1005 N LEU A 64 3.537 12.064 4.517 1.00 5.43 N ATOM 1006 CA LEU A 64 2.979 13.334 4.066 1.00 0.41 C ATOM 1007 C LEU A 64 1.525 13.168 3.637 1.00 13.01 C ATOM 1008 O LEU A 64 0.752 14.127 3.638 1.00 21.40 O ATOM 1009 CB LEU A 64 3.804 13.893 2.906 1.00 42.43 C ATOM 1010 CG LEU A 64 5.286 13.516 2.893 1.00 71.34 C ATOM 1011 CD1 LEU A 64 5.666 12.890 1.559 1.00 15.33 C ATOM 1012 CD2 LEU A 64 6.150 14.736 3.177 1.00 72.31 C ATOM 0 H LEU A 64 4.140 11.603 3.836 1.00 5.43 H new ATOM 0 HA LEU A 64 3.015 14.035 4.900 1.00 0.41 H new ATOM 0 HB2 LEU A 64 3.356 13.555 1.972 1.00 42.43 H new ATOM 0 HB3 LEU A 64 3.726 14.980 2.922 1.00 42.43 H new ATOM 0 HG LEU A 64 5.461 12.781 3.679 1.00 71.34 H new ATOM 0 HD11 LEU A 64 6.724 12.628 1.568 1.00 15.33 H new ATOM 0 HD12 LEU A 64 5.071 11.991 1.396 1.00 15.33 H new ATOM 0 HD13 LEU A 64 5.475 13.602 0.756 1.00 15.33 H new ATOM 0 HD21 LEU A 64 7.201 14.448 3.164 1.00 72.31 H new ATOM 0 HD22 LEU A 64 5.971 15.494 2.414 1.00 72.31 H new ATOM 0 HD23 LEU A 64 5.897 15.141 4.157 1.00 72.31 H new ATOM 1024 N LYS A 65 1.157 11.944 3.273 1.00 42.34 N ATOM 1025 CA LYS A 65 -0.205 11.650 2.845 1.00 72.25 C ATOM 1026 C LYS A 65 -0.552 12.413 1.570 1.00 11.03 C ATOM 1027 O LYS A 65 -1.681 12.874 1.398 1.00 34.14 O ATOM 1028 CB LYS A 65 -1.198 12.008 3.952 1.00 35.54 C ATOM 1029 CG LYS A 65 -0.825 11.440 5.311 1.00 44.41 C ATOM 1030 CD LYS A 65 -0.930 9.925 5.331 1.00 63.35 C ATOM 1031 CE LYS A 65 -0.516 9.355 6.679 1.00 62.45 C ATOM 1032 NZ LYS A 65 -0.907 7.925 6.820 1.00 34.11 N ATOM 0 H LYS A 65 1.784 11.139 3.266 1.00 42.34 H new ATOM 0 HA LYS A 65 -0.271 10.582 2.638 1.00 72.25 H new ATOM 0 HB2 LYS A 65 -1.269 13.093 4.028 1.00 35.54 H new ATOM 0 HB3 LYS A 65 -2.187 11.643 3.674 1.00 35.54 H new ATOM 0 HG2 LYS A 65 0.192 11.738 5.564 1.00 44.41 H new ATOM 0 HG3 LYS A 65 -1.480 11.861 6.074 1.00 44.41 H new ATOM 0 HD2 LYS A 65 -1.955 9.627 5.108 1.00 63.35 H new ATOM 0 HD3 LYS A 65 -0.299 9.505 4.548 1.00 63.35 H new ATOM 0 HE2 LYS A 65 0.563 9.450 6.797 1.00 62.45 H new ATOM 0 HE3 LYS A 65 -0.977 9.938 7.477 1.00 62.45 H new ATOM 0 HZ1 LYS A 65 -0.607 7.573 7.752 1.00 34.11 H new ATOM 0 HZ2 LYS A 65 -1.940 7.837 6.732 1.00 34.11 H new ATOM 0 HZ3 LYS A 65 -0.447 7.364 6.074 1.00 34.11 H new ATOM 1046 N LEU A 66 0.425 12.542 0.679 1.00 15.00 N ATOM 1047 CA LEU A 66 0.222 13.248 -0.581 1.00 51.32 C ATOM 1048 C LEU A 66 -0.285 12.299 -1.662 1.00 63.12 C ATOM 1049 O LEU A 66 -0.013 11.099 -1.627 1.00 63.41 O ATOM 1050 CB LEU A 66 1.526 13.907 -1.035 1.00 31.30 C ATOM 1051 CG LEU A 66 1.672 15.395 -0.717 1.00 4.21 C ATOM 1052 CD1 LEU A 66 3.086 15.869 -1.019 1.00 55.13 C ATOM 1053 CD2 LEU A 66 0.655 16.211 -1.501 1.00 61.24 C ATOM 0 H LEU A 66 1.365 12.167 0.806 1.00 15.00 H new ATOM 0 HA LEU A 66 -0.531 14.020 -0.419 1.00 51.32 H new ATOM 0 HB2 LEU A 66 2.358 13.374 -0.575 1.00 31.30 H new ATOM 0 HB3 LEU A 66 1.620 13.775 -2.113 1.00 31.30 H new ATOM 0 HG LEU A 66 1.481 15.540 0.346 1.00 4.21 H new ATOM 0 HD11 LEU A 66 3.171 16.931 -0.787 1.00 55.13 H new ATOM 0 HD12 LEU A 66 3.796 15.307 -0.412 1.00 55.13 H new ATOM 0 HD13 LEU A 66 3.305 15.710 -2.075 1.00 55.13 H new ATOM 0 HD21 LEU A 66 0.774 17.268 -1.262 1.00 61.24 H new ATOM 0 HD22 LEU A 66 0.813 16.061 -2.569 1.00 61.24 H new ATOM 0 HD23 LEU A 66 -0.352 15.890 -1.235 1.00 61.24 H new ATOM 1065 N LYS A 67 -1.021 12.845 -2.624 1.00 35.32 N ATOM 1066 CA LYS A 67 -1.564 12.048 -3.718 1.00 41.31 C ATOM 1067 C LYS A 67 -0.450 11.553 -4.635 1.00 41.51 C ATOM 1068 O LYS A 67 0.656 12.093 -4.655 1.00 5.32 O ATOM 1069 CB LYS A 67 -2.574 12.870 -4.522 1.00 43.04 C ATOM 1070 CG LYS A 67 -4.017 12.625 -4.118 1.00 71.42 C ATOM 1071 CD LYS A 67 -4.405 13.452 -2.904 1.00 43.12 C ATOM 1072 CE LYS A 67 -5.887 13.319 -2.589 1.00 43.11 C ATOM 1073 NZ LYS A 67 -6.155 13.425 -1.128 1.00 42.01 N ATOM 0 H LYS A 67 -1.255 13.837 -2.668 1.00 35.32 H new ATOM 0 HA LYS A 67 -2.069 11.182 -3.289 1.00 41.31 H new ATOM 0 HB2 LYS A 67 -2.346 13.929 -4.401 1.00 43.04 H new ATOM 0 HB3 LYS A 67 -2.458 12.638 -5.581 1.00 43.04 H new ATOM 0 HG2 LYS A 67 -4.676 12.870 -4.951 1.00 71.42 H new ATOM 0 HG3 LYS A 67 -4.160 11.567 -3.899 1.00 71.42 H new ATOM 0 HD2 LYS A 67 -3.819 13.132 -2.042 1.00 43.12 H new ATOM 0 HD3 LYS A 67 -4.163 14.499 -3.084 1.00 43.12 H new ATOM 0 HE2 LYS A 67 -6.442 14.095 -3.117 1.00 43.11 H new ATOM 0 HE3 LYS A 67 -6.252 12.360 -2.957 1.00 43.11 H new ATOM 0 HZ1 LYS A 67 -7.176 13.329 -0.954 1.00 42.01 H new ATOM 0 HZ2 LYS A 67 -5.646 12.670 -0.626 1.00 42.01 H new ATOM 0 HZ3 LYS A 67 -5.830 14.350 -0.782 1.00 42.01 H new ATOM 1087 N PRO A 68 -0.747 10.503 -5.414 1.00 64.15 N ATOM 1088 CA PRO A 68 0.216 9.914 -6.350 1.00 5.03 C ATOM 1089 C PRO A 68 0.513 10.831 -7.531 1.00 53.51 C ATOM 1090 O PRO A 68 1.639 10.880 -8.024 1.00 74.12 O ATOM 1091 CB PRO A 68 -0.485 8.639 -6.825 1.00 41.32 C ATOM 1092 CG PRO A 68 -1.938 8.918 -6.650 1.00 3.25 C ATOM 1093 CD PRO A 68 -2.045 9.809 -5.443 1.00 53.52 C ATOM 0 HA PRO A 68 1.183 9.735 -5.880 1.00 5.03 H new ATOM 0 HB2 PRO A 68 -0.246 8.420 -7.866 1.00 41.32 H new ATOM 0 HB3 PRO A 68 -0.174 7.774 -6.238 1.00 41.32 H new ATOM 0 HG2 PRO A 68 -2.351 9.406 -7.533 1.00 3.25 H new ATOM 0 HG3 PRO A 68 -2.498 7.994 -6.504 1.00 3.25 H new ATOM 0 HD2 PRO A 68 -2.874 10.511 -5.534 1.00 53.52 H new ATOM 0 HD3 PRO A 68 -2.213 9.234 -4.533 1.00 53.52 H new ATOM 1101 N ASN A 69 -0.506 11.558 -7.980 1.00 43.00 N ATOM 1102 CA ASN A 69 -0.354 12.474 -9.104 1.00 43.43 C ATOM 1103 C ASN A 69 0.320 13.770 -8.663 1.00 10.12 C ATOM 1104 O ASN A 69 0.799 14.548 -9.489 1.00 71.52 O ATOM 1105 CB ASN A 69 -1.717 12.782 -9.727 1.00 33.24 C ATOM 1106 CG ASN A 69 -2.695 13.358 -8.721 1.00 0.41 C ATOM 1107 OD1 ASN A 69 -2.730 14.568 -8.496 1.00 53.42 O ATOM 1108 ND2 ASN A 69 -3.495 12.492 -8.110 1.00 3.23 N ATOM 0 H ASN A 69 -1.445 11.530 -7.582 1.00 43.00 H new ATOM 0 HA ASN A 69 0.278 11.992 -9.850 1.00 43.43 H new ATOM 0 HB2 ASN A 69 -1.587 13.487 -10.548 1.00 33.24 H new ATOM 0 HB3 ASN A 69 -2.133 11.869 -10.153 1.00 33.24 H new ATOM 0 HD21 ASN A 69 -4.173 12.821 -7.423 1.00 3.23 H new ATOM 0 HD22 ASN A 69 -3.431 11.498 -8.328 1.00 3.23 H new ATOM 1115 N THR A 70 0.354 13.997 -7.353 1.00 61.32 N ATOM 1116 CA THR A 70 0.968 15.198 -6.801 1.00 61.50 C ATOM 1117 C THR A 70 2.150 15.651 -7.650 1.00 61.12 C ATOM 1118 O THR A 70 3.125 14.918 -7.818 1.00 60.20 O ATOM 1119 CB THR A 70 1.447 14.969 -5.355 1.00 0.51 C ATOM 1120 OG1 THR A 70 0.323 14.747 -4.496 1.00 21.20 O ATOM 1121 CG2 THR A 70 2.245 16.164 -4.855 1.00 23.25 C ATOM 0 H THR A 70 -0.037 13.364 -6.655 1.00 61.32 H new ATOM 0 HA THR A 70 0.203 15.975 -6.804 1.00 61.50 H new ATOM 0 HB THR A 70 2.092 14.090 -5.343 1.00 0.51 H new ATOM 0 HG1 THR A 70 0.386 13.853 -4.099 1.00 21.20 H new ATOM 0 HG21 THR A 70 2.573 15.980 -3.832 1.00 23.25 H new ATOM 0 HG22 THR A 70 3.115 16.313 -5.494 1.00 23.25 H new ATOM 0 HG23 THR A 70 1.619 17.056 -4.881 1.00 23.25 H new ATOM 1129 N LYS A 71 2.058 16.864 -8.184 1.00 43.10 N ATOM 1130 CA LYS A 71 3.121 17.417 -9.015 1.00 1.41 C ATOM 1131 C LYS A 71 4.120 18.202 -8.170 1.00 54.10 C ATOM 1132 O LYS A 71 3.750 18.824 -7.174 1.00 32.14 O ATOM 1133 CB LYS A 71 2.531 18.323 -10.098 1.00 54.01 C ATOM 1134 CG LYS A 71 1.318 17.729 -10.793 1.00 71.22 C ATOM 1135 CD LYS A 71 0.031 18.398 -10.339 1.00 64.13 C ATOM 1136 CE LYS A 71 -1.181 17.816 -11.050 1.00 64.43 C ATOM 1137 NZ LYS A 71 -2.337 18.754 -11.033 1.00 71.55 N ATOM 0 H LYS A 71 1.258 17.483 -8.056 1.00 43.10 H new ATOM 0 HA LYS A 71 3.645 16.588 -9.489 1.00 1.41 H new ATOM 0 HB2 LYS A 71 2.252 19.277 -9.650 1.00 54.01 H new ATOM 0 HB3 LYS A 71 3.299 18.533 -10.842 1.00 54.01 H new ATOM 0 HG2 LYS A 71 1.425 17.840 -11.872 1.00 71.22 H new ATOM 0 HG3 LYS A 71 1.266 16.660 -10.586 1.00 71.22 H new ATOM 0 HD2 LYS A 71 -0.084 18.275 -9.262 1.00 64.13 H new ATOM 0 HD3 LYS A 71 0.088 19.469 -10.533 1.00 64.13 H new ATOM 0 HE2 LYS A 71 -0.919 17.581 -12.082 1.00 64.43 H new ATOM 0 HE3 LYS A 71 -1.467 16.879 -10.573 1.00 64.43 H new ATOM 0 HZ1 LYS A 71 -3.143 18.321 -11.527 1.00 71.55 H new ATOM 0 HZ2 LYS A 71 -2.604 18.958 -10.049 1.00 71.55 H new ATOM 0 HZ3 LYS A 71 -2.073 19.639 -11.511 1.00 71.55 H new ATOM 1151 N ILE A 72 5.385 18.170 -8.575 1.00 74.12 N ATOM 1152 CA ILE A 72 6.435 18.880 -7.856 1.00 52.43 C ATOM 1153 C ILE A 72 7.036 19.989 -8.715 1.00 35.44 C ATOM 1154 O ILE A 72 7.417 19.761 -9.862 1.00 70.32 O ATOM 1155 CB ILE A 72 7.558 17.925 -7.411 1.00 50.24 C ATOM 1156 CG1 ILE A 72 6.981 16.776 -6.582 1.00 41.00 C ATOM 1157 CG2 ILE A 72 8.613 18.681 -6.617 1.00 53.24 C ATOM 1158 CD1 ILE A 72 6.217 17.237 -5.360 1.00 64.43 C ATOM 0 H ILE A 72 5.707 17.660 -9.397 1.00 74.12 H new ATOM 0 HA ILE A 72 5.971 19.318 -6.972 1.00 52.43 H new ATOM 0 HB ILE A 72 8.031 17.506 -8.299 1.00 50.24 H new ATOM 0 HG12 ILE A 72 6.319 16.181 -7.211 1.00 41.00 H new ATOM 0 HG13 ILE A 72 7.794 16.122 -6.267 1.00 41.00 H new ATOM 0 HG21 ILE A 72 9.400 17.992 -6.310 1.00 53.24 H new ATOM 0 HG22 ILE A 72 9.041 19.468 -7.238 1.00 53.24 H new ATOM 0 HG23 ILE A 72 8.154 19.125 -5.734 1.00 53.24 H new ATOM 0 HD11 ILE A 72 5.836 16.370 -4.820 1.00 64.43 H new ATOM 0 HD12 ILE A 72 6.881 17.807 -4.710 1.00 64.43 H new ATOM 0 HD13 ILE A 72 5.383 17.867 -5.669 1.00 64.43 H new ATOM 1170 N MET A 73 7.118 21.188 -8.149 1.00 51.52 N ATOM 1171 CA MET A 73 7.676 22.332 -8.862 1.00 74.01 C ATOM 1172 C MET A 73 9.108 22.605 -8.415 1.00 43.13 C ATOM 1173 O MET A 73 9.435 22.479 -7.235 1.00 52.15 O ATOM 1174 CB MET A 73 6.812 23.574 -8.633 1.00 31.23 C ATOM 1175 CG MET A 73 5.431 23.478 -9.261 1.00 42.21 C ATOM 1176 SD MET A 73 4.284 24.707 -8.608 1.00 22.41 S ATOM 1177 CE MET A 73 3.739 23.896 -7.107 1.00 10.24 C ATOM 0 H MET A 73 6.806 21.393 -7.200 1.00 51.52 H new ATOM 0 HA MET A 73 7.685 22.096 -9.926 1.00 74.01 H new ATOM 0 HB2 MET A 73 6.704 23.739 -7.561 1.00 31.23 H new ATOM 0 HB3 MET A 73 7.327 24.445 -9.039 1.00 31.23 H new ATOM 0 HG2 MET A 73 5.517 23.604 -10.340 1.00 42.21 H new ATOM 0 HG3 MET A 73 5.026 22.481 -9.088 1.00 42.21 H new ATOM 0 HE1 MET A 73 3.023 24.533 -6.588 1.00 10.24 H new ATOM 0 HE2 MET A 73 3.265 22.947 -7.358 1.00 10.24 H new ATOM 0 HE3 MET A 73 4.597 23.713 -6.460 1.00 10.24 H new ATOM 1187 N MET A 74 9.959 22.979 -9.366 1.00 14.24 N ATOM 1188 CA MET A 74 11.356 23.271 -9.068 1.00 63.24 C ATOM 1189 C MET A 74 11.774 24.606 -9.676 1.00 1.11 C ATOM 1190 O MET A 74 11.543 24.860 -10.858 1.00 0.14 O ATOM 1191 CB MET A 74 12.256 22.153 -9.597 1.00 64.44 C ATOM 1192 CG MET A 74 11.877 20.773 -9.084 1.00 61.00 C ATOM 1193 SD MET A 74 12.290 19.461 -10.250 1.00 34.44 S ATOM 1194 CE MET A 74 13.078 18.276 -9.161 1.00 52.42 C ATOM 0 H MET A 74 9.705 23.087 -10.348 1.00 14.24 H new ATOM 0 HA MET A 74 11.465 23.335 -7.985 1.00 63.24 H new ATOM 0 HB2 MET A 74 12.216 22.150 -10.686 1.00 64.44 H new ATOM 0 HB3 MET A 74 13.288 22.365 -9.317 1.00 64.44 H new ATOM 0 HG2 MET A 74 12.388 20.588 -8.139 1.00 61.00 H new ATOM 0 HG3 MET A 74 10.807 20.747 -8.878 1.00 61.00 H new ATOM 0 HE1 MET A 74 13.516 17.473 -9.753 1.00 52.42 H new ATOM 0 HE2 MET A 74 13.861 18.773 -8.588 1.00 52.42 H new ATOM 0 HE3 MET A 74 12.337 17.861 -8.478 1.00 52.42 H new ATOM 1204 N MET A 75 12.390 25.456 -8.860 1.00 72.40 N ATOM 1205 CA MET A 75 12.840 26.765 -9.319 1.00 23.54 C ATOM 1206 C MET A 75 14.342 26.929 -9.105 1.00 33.55 C ATOM 1207 O MET A 75 14.846 26.729 -8.001 1.00 24.35 O ATOM 1208 CB MET A 75 12.084 27.874 -8.584 1.00 65.25 C ATOM 1209 CG MET A 75 10.603 27.923 -8.919 1.00 15.50 C ATOM 1210 SD MET A 75 10.186 29.282 -10.030 1.00 23.53 S ATOM 1211 CE MET A 75 9.263 28.413 -11.295 1.00 13.10 C ATOM 0 H MET A 75 12.589 25.262 -7.879 1.00 72.40 H new ATOM 0 HA MET A 75 12.633 26.840 -10.386 1.00 23.54 H new ATOM 0 HB2 MET A 75 12.201 27.732 -7.510 1.00 65.25 H new ATOM 0 HB3 MET A 75 12.536 28.835 -8.829 1.00 65.25 H new ATOM 0 HG2 MET A 75 10.307 26.980 -9.378 1.00 15.50 H new ATOM 0 HG3 MET A 75 10.029 28.023 -7.998 1.00 15.50 H new ATOM 0 HE1 MET A 75 8.935 29.120 -12.057 1.00 13.10 H new ATOM 0 HE2 MET A 75 9.898 27.655 -11.753 1.00 13.10 H new ATOM 0 HE3 MET A 75 8.393 27.934 -10.846 1.00 13.10 H new ATOM 1221 N GLY A 76 15.051 27.293 -10.169 1.00 14.44 N ATOM 1222 CA GLY A 76 16.487 27.477 -10.075 1.00 41.35 C ATOM 1223 C GLY A 76 17.184 27.287 -11.408 1.00 54.13 C ATOM 1224 O GLY A 76 16.601 27.537 -12.464 1.00 74.40 O ATOM 0 H GLY A 76 14.657 27.464 -11.094 1.00 14.44 H new ATOM 0 HA2 GLY A 76 16.698 28.477 -9.697 1.00 41.35 H new ATOM 0 HA3 GLY A 76 16.894 26.771 -9.352 1.00 41.35 H new ATOM 1228 N THR A 77 18.437 26.845 -11.362 1.00 14.11 N ATOM 1229 CA THR A 77 19.215 26.625 -12.574 1.00 73.53 C ATOM 1230 C THR A 77 19.917 25.272 -12.538 1.00 45.32 C ATOM 1231 O THR A 77 20.656 24.971 -11.600 1.00 61.05 O ATOM 1232 CB THR A 77 20.266 27.732 -12.776 1.00 64.32 C ATOM 1233 OG1 THR A 77 21.173 27.361 -13.821 1.00 2.53 O ATOM 1234 CG2 THR A 77 21.041 27.983 -11.491 1.00 54.41 C ATOM 0 H THR A 77 18.935 26.632 -10.497 1.00 14.11 H new ATOM 0 HA THR A 77 18.514 26.645 -13.408 1.00 73.53 H new ATOM 0 HB THR A 77 19.747 28.649 -13.054 1.00 64.32 H new ATOM 0 HG1 THR A 77 21.837 28.071 -13.945 1.00 2.53 H new ATOM 0 HG21 THR A 77 21.778 28.769 -11.658 1.00 54.41 H new ATOM 0 HG22 THR A 77 20.352 28.292 -10.705 1.00 54.41 H new ATOM 0 HG23 THR A 77 21.549 27.068 -11.188 1.00 54.41 H new