USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=17 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 36 THR OG1 : rot -79:sc= 0.233 USER MOD Set 1.2: A 43 GLN : amide:sc= -6.36! C(o=-7.5!,f=-13!) USER MOD Set 1.3: A 74 MET CE :methyl 146:sc= -1.4 (180deg=0) USER MOD Set 2.1: A 12 GLN : amide:sc=-0.00855 X(o=-0.1,f=-0.1) USER MOD Set 2.2: A 14 TYR OH : rot 30:sc= -0.0936 USER MOD Single : A 8 LYS NZ :NH3+ 135:sc= -1.02 (180deg=-2.74!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= -2.43 (180deg=-3.51!) USER MOD Single : A 30 GLN : amide:sc= -0.53 X(o=-0.53,f=-0.63) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= -3.36! (180deg=-5.08!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -0.243 (180deg=-0.793) 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= -0.229 X(o=-0.23,f=-0.45) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -108:sc= -0.378 (180deg=-2.72!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.56) USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.0921 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 75 MET CE :methyl -158:sc= -0.0162 (180deg=-0.546) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 2.658 -1.568 -3.005 1.00 0.00 N ATOM 19 CA ALA A 2 2.931 -2.877 -3.585 1.00 0.00 C ATOM 20 C ALA A 2 4.397 -3.007 -3.983 1.00 0.00 C ATOM 21 O ALA A 2 4.975 -2.091 -4.570 1.00 0.00 O ATOM 22 CB ALA A 2 2.032 -3.119 -4.789 1.00 0.00 C ATOM 0 HA ALA A 2 2.719 -3.633 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.247 -4.100 -5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.988 -3.079 -4.478 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.216 -2.352 -5.541 1.00 0.00 H new ATOM 28 N LEU A 3 4.994 -4.148 -3.660 1.00 0.00 N ATOM 29 CA LEU A 3 6.395 -4.397 -3.984 1.00 0.00 C ATOM 30 C LEU A 3 6.523 -5.469 -5.062 1.00 0.00 C ATOM 31 O LEU A 3 6.146 -6.625 -4.870 1.00 0.00 O ATOM 32 CB LEU A 3 7.160 -4.826 -2.730 1.00 0.00 C ATOM 33 CG LEU A 3 7.660 -3.695 -1.830 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.831 -2.974 -2.479 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.533 -2.719 -1.525 1.00 0.00 C ATOM 0 H LEU A 3 4.531 -4.916 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 3 6.824 -3.471 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.514 -5.475 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.017 -5.424 -3.038 1.00 0.00 H new ATOM 0 HG LEU A 3 8.003 -4.129 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.173 -2.173 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.645 -3.679 -2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.515 -2.553 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.907 -1.921 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.160 -2.292 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.724 -3.244 -1.017 1.00 0.00 H new ATOM 47 N PRO A 4 7.068 -5.078 -6.223 1.00 0.00 N ATOM 48 CA PRO A 4 7.261 -5.990 -7.354 1.00 0.00 C ATOM 49 C PRO A 4 8.343 -7.029 -7.083 1.00 0.00 C ATOM 50 O PRO A 4 9.232 -6.812 -6.258 1.00 0.00 O ATOM 51 CB PRO A 4 7.686 -5.059 -8.493 1.00 0.00 C ATOM 52 CG PRO A 4 8.293 -3.881 -7.812 1.00 0.00 C ATOM 53 CD PRO A 4 7.539 -3.715 -6.521 1.00 0.00 C ATOM 0 HA PRO A 4 6.362 -6.567 -7.570 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.402 -5.545 -9.156 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.833 -4.766 -9.105 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.355 -4.042 -7.626 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.210 -2.987 -8.430 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.180 -3.329 -5.728 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.708 -3.017 -6.628 1.00 0.00 H new ATOM 61 N ILE A 5 8.264 -8.156 -7.782 1.00 0.00 N ATOM 62 CA ILE A 5 9.238 -9.228 -7.616 1.00 0.00 C ATOM 63 C ILE A 5 9.422 -10.008 -8.914 1.00 0.00 C ATOM 64 O ILE A 5 8.449 -10.430 -9.539 1.00 0.00 O ATOM 65 CB ILE A 5 8.820 -10.202 -6.499 1.00 0.00 C ATOM 66 CG1 ILE A 5 9.074 -9.577 -5.126 1.00 0.00 C ATOM 67 CG2 ILE A 5 9.571 -11.518 -6.635 1.00 0.00 C ATOM 68 CD1 ILE A 5 9.626 -10.552 -4.111 1.00 0.00 C ATOM 0 H ILE A 5 7.536 -8.351 -8.469 1.00 0.00 H new ATOM 0 HA ILE A 5 10.182 -8.757 -7.340 1.00 0.00 H new ATOM 0 HB ILE A 5 7.753 -10.404 -6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.772 -8.747 -5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.141 -9.160 -4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.265 -12.196 -5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.344 -11.968 -7.602 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.643 -11.334 -6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.781 -10.040 -3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.919 -11.370 -3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.576 -10.950 -4.468 1.00 0.00 H new ATOM 80 N ILE A 6 10.676 -10.197 -9.311 1.00 0.00 N ATOM 81 CA ILE A 6 10.988 -10.930 -10.532 1.00 0.00 C ATOM 82 C ILE A 6 11.285 -12.395 -10.233 1.00 0.00 C ATOM 83 O ILE A 6 12.022 -12.712 -9.299 1.00 0.00 O ATOM 84 CB ILE A 6 12.192 -10.313 -11.266 1.00 0.00 C ATOM 85 CG1 ILE A 6 11.813 -8.956 -11.863 1.00 0.00 C ATOM 86 CG2 ILE A 6 12.690 -11.255 -12.352 1.00 0.00 C ATOM 87 CD1 ILE A 6 12.925 -7.933 -11.795 1.00 0.00 C ATOM 0 H ILE A 6 11.492 -9.853 -8.805 1.00 0.00 H new ATOM 0 HA ILE A 6 10.109 -10.864 -11.173 1.00 0.00 H new ATOM 0 HB ILE A 6 12.997 -10.160 -10.547 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.522 -9.095 -12.904 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.941 -8.568 -11.337 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.542 -10.805 -12.862 1.00 0.00 H new ATOM 0 HG22 ILE A 6 12.995 -12.200 -11.902 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.891 -11.436 -13.071 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.585 -6.996 -12.236 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.201 -7.765 -10.754 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.791 -8.300 -12.346 1.00 0.00 H new ATOM 99 N VAL A 7 10.708 -13.286 -11.033 1.00 0.00 N ATOM 100 CA VAL A 7 10.913 -14.718 -10.857 1.00 0.00 C ATOM 101 C VAL A 7 11.560 -15.337 -12.091 1.00 0.00 C ATOM 102 O VAL A 7 11.253 -14.959 -13.222 1.00 0.00 O ATOM 103 CB VAL A 7 9.586 -15.444 -10.568 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.855 -15.757 -11.865 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.836 -16.713 -9.767 1.00 0.00 C ATOM 0 H VAL A 7 10.094 -13.041 -11.810 1.00 0.00 H new ATOM 0 HA VAL A 7 11.578 -14.839 -10.002 1.00 0.00 H new ATOM 0 HB VAL A 7 8.954 -14.785 -9.973 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.920 -16.270 -11.641 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.642 -14.829 -12.396 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.479 -16.397 -12.489 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.887 -17.213 -9.572 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.487 -17.379 -10.334 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.313 -16.458 -8.821 1.00 0.00 H new ATOM 115 N LYS A 8 12.457 -16.291 -11.867 1.00 0.00 N ATOM 116 CA LYS A 8 13.147 -16.965 -12.960 1.00 0.00 C ATOM 117 C LYS A 8 12.835 -18.459 -12.962 1.00 0.00 C ATOM 118 O LYS A 8 12.993 -19.136 -11.946 1.00 0.00 O ATOM 119 CB LYS A 8 14.658 -16.749 -12.847 1.00 0.00 C ATOM 120 CG LYS A 8 15.340 -16.510 -14.183 1.00 0.00 C ATOM 121 CD LYS A 8 15.758 -15.059 -14.344 1.00 0.00 C ATOM 122 CE LYS A 8 16.444 -14.821 -15.681 1.00 0.00 C ATOM 123 NZ LYS A 8 15.643 -15.354 -16.817 1.00 0.00 N ATOM 0 H LYS A 8 12.723 -16.615 -10.937 1.00 0.00 H new ATOM 0 HA LYS A 8 12.794 -16.537 -13.898 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.847 -15.897 -12.195 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.107 -17.621 -12.370 1.00 0.00 H new ATOM 0 HG2 LYS A 8 16.216 -17.153 -14.265 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.664 -16.787 -14.992 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.882 -14.416 -14.264 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.432 -14.781 -13.534 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.606 -13.752 -15.821 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.426 -15.294 -15.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.618 -14.652 -17.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.077 -16.233 -17.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.673 -15.550 -16.496 1.00 0.00 H new ATOM 137 N TRP A 9 12.393 -18.964 -14.107 1.00 0.00 N ATOM 138 CA TRP A 9 12.061 -20.378 -14.240 1.00 0.00 C ATOM 139 C TRP A 9 12.337 -20.871 -15.656 1.00 0.00 C ATOM 140 O TRP A 9 11.765 -20.368 -16.622 1.00 0.00 O ATOM 141 CB TRP A 9 10.593 -20.614 -13.882 1.00 0.00 C ATOM 142 CG TRP A 9 10.097 -21.973 -14.274 1.00 0.00 C ATOM 143 CD1 TRP A 9 9.061 -22.256 -15.119 1.00 0.00 C ATOM 144 CD2 TRP A 9 10.614 -23.234 -13.834 1.00 0.00 C ATOM 145 NE1 TRP A 9 8.904 -23.616 -15.230 1.00 0.00 N ATOM 146 CE2 TRP A 9 9.845 -24.238 -14.453 1.00 0.00 C ATOM 147 CE3 TRP A 9 11.653 -23.612 -12.980 1.00 0.00 C ATOM 148 CZ2 TRP A 9 10.083 -25.594 -14.242 1.00 0.00 C ATOM 149 CZ3 TRP A 9 11.888 -24.957 -12.771 1.00 0.00 C ATOM 150 CH2 TRP A 9 11.106 -25.935 -13.400 1.00 0.00 C ATOM 0 H TRP A 9 12.256 -18.416 -14.957 1.00 0.00 H new ATOM 0 HA TRP A 9 12.691 -20.940 -13.550 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.463 -20.484 -12.808 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.981 -19.857 -14.371 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.455 -21.519 -15.625 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.200 -24.087 -15.799 1.00 0.00 H new ATOM 0 HE3 TRP A 9 12.262 -22.866 -12.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 9.481 -26.349 -14.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 12.688 -25.260 -12.112 1.00 0.00 H new ATOM 0 HH2 TRP A 9 11.315 -26.979 -13.216 1.00 0.00 H new ATOM 161 N GLY A 10 13.218 -21.861 -15.773 1.00 0.00 N ATOM 162 CA GLY A 10 13.554 -22.405 -17.076 1.00 0.00 C ATOM 163 C GLY A 10 14.023 -21.339 -18.046 1.00 0.00 C ATOM 164 O GLY A 10 13.718 -21.396 -19.237 1.00 0.00 O ATOM 0 H GLY A 10 13.705 -22.295 -14.989 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.335 -23.157 -16.962 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.682 -22.911 -17.491 1.00 0.00 H new ATOM 168 N GLY A 11 14.765 -20.361 -17.536 1.00 0.00 N ATOM 169 CA GLY A 11 15.263 -19.290 -18.379 1.00 0.00 C ATOM 170 C GLY A 11 14.221 -18.218 -18.630 1.00 0.00 C ATOM 171 O GLY A 11 14.498 -17.217 -19.291 1.00 0.00 O ATOM 0 H GLY A 11 15.030 -20.291 -16.554 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.138 -18.839 -17.910 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.590 -19.705 -19.332 1.00 0.00 H new ATOM 175 N GLN A 12 13.019 -18.427 -18.102 1.00 0.00 N ATOM 176 CA GLN A 12 11.932 -17.471 -18.275 1.00 0.00 C ATOM 177 C GLN A 12 11.970 -16.402 -17.187 1.00 0.00 C ATOM 178 O GLN A 12 12.577 -16.596 -16.135 1.00 0.00 O ATOM 179 CB GLN A 12 10.583 -18.191 -18.252 1.00 0.00 C ATOM 180 CG GLN A 12 10.521 -19.397 -19.176 1.00 0.00 C ATOM 181 CD GLN A 12 10.702 -19.024 -20.634 1.00 0.00 C ATOM 182 OE1 GLN A 12 11.814 -19.053 -21.161 1.00 0.00 O ATOM 183 NE2 GLN A 12 9.605 -18.671 -21.296 1.00 0.00 N ATOM 0 H GLN A 12 12.774 -19.250 -17.551 1.00 0.00 H new ATOM 0 HA GLN A 12 12.059 -16.985 -19.242 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.370 -18.513 -17.233 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.800 -17.487 -18.534 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.293 -20.110 -18.889 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.561 -19.898 -19.049 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.703 -18.661 -20.820 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.665 -18.410 -22.280 1.00 0.00 H new ATOM 192 N GLU A 13 11.317 -15.275 -17.450 1.00 0.00 N ATOM 193 CA GLU A 13 11.277 -14.175 -16.493 1.00 0.00 C ATOM 194 C GLU A 13 9.853 -13.655 -16.320 1.00 0.00 C ATOM 195 O GLU A 13 9.173 -13.338 -17.296 1.00 0.00 O ATOM 196 CB GLU A 13 12.195 -13.039 -16.950 1.00 0.00 C ATOM 197 CG GLU A 13 13.450 -12.894 -16.107 1.00 0.00 C ATOM 198 CD GLU A 13 14.510 -12.043 -16.780 1.00 0.00 C ATOM 199 OE1 GLU A 13 14.918 -12.388 -17.909 1.00 0.00 O ATOM 200 OE2 GLU A 13 14.931 -11.034 -16.178 1.00 0.00 O ATOM 0 H GLU A 13 10.809 -15.099 -18.317 1.00 0.00 H new ATOM 0 HA GLU A 13 11.627 -14.551 -15.531 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.482 -13.210 -17.987 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.640 -12.102 -16.924 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.189 -12.450 -15.147 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.860 -13.882 -15.900 1.00 0.00 H new ATOM 207 N TYR A 14 9.408 -13.572 -15.071 1.00 0.00 N ATOM 208 CA TYR A 14 8.064 -13.093 -14.769 1.00 0.00 C ATOM 209 C TYR A 14 8.065 -12.216 -13.521 1.00 0.00 C ATOM 210 O TYR A 14 8.443 -12.660 -12.437 1.00 0.00 O ATOM 211 CB TYR A 14 7.111 -14.274 -14.575 1.00 0.00 C ATOM 212 CG TYR A 14 7.206 -15.315 -15.668 1.00 0.00 C ATOM 213 CD1 TYR A 14 6.586 -15.120 -16.895 1.00 0.00 C ATOM 214 CD2 TYR A 14 7.917 -16.493 -15.473 1.00 0.00 C ATOM 215 CE1 TYR A 14 6.669 -16.068 -17.896 1.00 0.00 C ATOM 216 CE2 TYR A 14 8.007 -17.446 -16.469 1.00 0.00 C ATOM 217 CZ TYR A 14 7.381 -17.229 -17.678 1.00 0.00 C ATOM 218 OH TYR A 14 7.467 -18.176 -18.673 1.00 0.00 O ATOM 0 H TYR A 14 9.958 -13.830 -14.252 1.00 0.00 H new ATOM 0 HA TYR A 14 7.722 -12.493 -15.612 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.322 -14.746 -13.616 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.088 -13.901 -14.528 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.029 -14.211 -17.070 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.408 -16.666 -14.527 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.179 -15.901 -18.844 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.564 -18.356 -16.302 1.00 0.00 H new ATOM 0 HH TYR A 14 7.421 -17.737 -19.548 1.00 0.00 H new ATOM 228 N SER A 15 7.640 -10.967 -13.683 1.00 0.00 N ATOM 229 CA SER A 15 7.594 -10.025 -12.571 1.00 0.00 C ATOM 230 C SER A 15 6.205 -9.995 -11.941 1.00 0.00 C ATOM 231 O SER A 15 5.213 -10.347 -12.579 1.00 0.00 O ATOM 232 CB SER A 15 7.981 -8.623 -13.047 1.00 0.00 C ATOM 233 OG SER A 15 7.123 -8.182 -14.084 1.00 0.00 O ATOM 0 H SER A 15 7.323 -10.584 -14.574 1.00 0.00 H new ATOM 0 HA SER A 15 8.308 -10.356 -11.817 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.934 -7.926 -12.211 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.012 -8.627 -13.401 1.00 0.00 H new ATOM 0 HG SER A 15 7.390 -7.283 -14.369 1.00 0.00 H new ATOM 239 N VAL A 16 6.142 -9.572 -10.682 1.00 0.00 N ATOM 240 CA VAL A 16 4.876 -9.495 -9.964 1.00 0.00 C ATOM 241 C VAL A 16 4.477 -8.046 -9.708 1.00 0.00 C ATOM 242 O VAL A 16 5.331 -7.173 -9.548 1.00 0.00 O ATOM 243 CB VAL A 16 4.946 -10.241 -8.619 1.00 0.00 C ATOM 244 CG1 VAL A 16 5.008 -9.254 -7.463 1.00 0.00 C ATOM 245 CG2 VAL A 16 3.758 -11.179 -8.467 1.00 0.00 C ATOM 0 H VAL A 16 6.953 -9.277 -10.139 1.00 0.00 H new ATOM 0 HA VAL A 16 4.125 -9.970 -10.596 1.00 0.00 H new ATOM 0 HB VAL A 16 5.857 -10.840 -8.603 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.057 -9.800 -6.521 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.894 -8.628 -7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.117 -8.626 -7.473 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.824 -11.698 -7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.833 -10.604 -8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.765 -11.909 -9.277 1.00 0.00 H new ATOM 255 N THR A 17 3.172 -7.795 -9.671 1.00 0.00 N ATOM 256 CA THR A 17 2.658 -6.451 -9.435 1.00 0.00 C ATOM 257 C THR A 17 1.248 -6.495 -8.857 1.00 0.00 C ATOM 258 O THR A 17 0.351 -5.793 -9.326 1.00 0.00 O ATOM 259 CB THR A 17 2.643 -5.620 -10.732 1.00 0.00 C ATOM 260 OG1 THR A 17 2.192 -6.426 -11.826 1.00 0.00 O ATOM 261 CG2 THR A 17 4.028 -5.070 -11.038 1.00 0.00 C ATOM 0 H THR A 17 2.451 -8.505 -9.801 1.00 0.00 H new ATOM 0 HA THR A 17 3.328 -5.978 -8.717 1.00 0.00 H new ATOM 0 HB THR A 17 1.959 -4.783 -10.593 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.184 -5.889 -12.646 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.993 -4.487 -11.958 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.356 -4.433 -10.217 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.729 -5.896 -11.159 1.00 0.00 H new ATOM 269 N THR A 18 1.059 -7.323 -7.834 1.00 0.00 N ATOM 270 CA THR A 18 -0.243 -7.458 -7.192 1.00 0.00 C ATOM 271 C THR A 18 -0.122 -7.348 -5.676 1.00 0.00 C ATOM 272 O THR A 18 -1.012 -6.821 -5.009 1.00 0.00 O ATOM 273 CB THR A 18 -0.907 -8.802 -7.547 1.00 0.00 C ATOM 274 OG1 THR A 18 -2.014 -9.047 -6.672 1.00 0.00 O ATOM 275 CG2 THR A 18 0.092 -9.944 -7.441 1.00 0.00 C ATOM 0 H THR A 18 1.790 -7.910 -7.433 1.00 0.00 H new ATOM 0 HA THR A 18 -0.866 -6.644 -7.564 1.00 0.00 H new ATOM 0 HB THR A 18 -1.263 -8.746 -8.576 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.432 -9.902 -6.905 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.400 -10.883 -7.696 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.919 -9.769 -8.129 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.474 -10.000 -6.422 1.00 0.00 H new ATOM 283 N LEU A 19 0.985 -7.848 -5.138 1.00 0.00 N ATOM 284 CA LEU A 19 1.224 -7.805 -3.700 1.00 0.00 C ATOM 285 C LEU A 19 2.626 -7.287 -3.395 1.00 0.00 C ATOM 286 O LEU A 19 3.319 -6.787 -4.281 1.00 0.00 O ATOM 287 CB LEU A 19 1.038 -9.196 -3.091 1.00 0.00 C ATOM 288 CG LEU A 19 2.066 -10.251 -3.501 1.00 0.00 C ATOM 289 CD1 LEU A 19 2.265 -11.265 -2.385 1.00 0.00 C ATOM 290 CD2 LEU A 19 1.635 -10.945 -4.785 1.00 0.00 C ATOM 0 H LEU A 19 1.731 -8.288 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 19 0.500 -7.121 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.058 -9.101 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.047 -9.559 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 19 3.018 -9.752 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.000 -12.008 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.620 -10.755 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.318 -11.760 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.378 -11.693 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.672 -11.431 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.546 -10.209 -5.584 1.00 0.00 H new ATOM 302 N SER A 20 3.037 -7.412 -2.137 1.00 0.00 N ATOM 303 CA SER A 20 4.356 -6.955 -1.715 1.00 0.00 C ATOM 304 C SER A 20 5.158 -8.100 -1.105 1.00 0.00 C ATOM 305 O SER A 20 4.591 -9.063 -0.590 1.00 0.00 O ATOM 306 CB SER A 20 4.224 -5.814 -0.705 1.00 0.00 C ATOM 307 OG SER A 20 2.885 -5.677 -0.261 1.00 0.00 O ATOM 0 H SER A 20 2.476 -7.826 -1.393 1.00 0.00 H new ATOM 0 HA SER A 20 4.887 -6.592 -2.595 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.876 -6.002 0.148 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.557 -4.881 -1.160 1.00 0.00 H new ATOM 0 HG SER A 20 2.828 -4.942 0.385 1.00 0.00 H new ATOM 313 N GLU A 21 6.481 -7.986 -1.167 1.00 0.00 N ATOM 314 CA GLU A 21 7.362 -9.012 -0.621 1.00 0.00 C ATOM 315 C GLU A 21 7.089 -9.229 0.865 1.00 0.00 C ATOM 316 O GLU A 21 7.413 -10.280 1.419 1.00 0.00 O ATOM 317 CB GLU A 21 8.826 -8.622 -0.830 1.00 0.00 C ATOM 318 CG GLU A 21 9.249 -7.397 -0.037 1.00 0.00 C ATOM 319 CD GLU A 21 10.753 -7.205 -0.019 1.00 0.00 C ATOM 320 OE1 GLU A 21 11.459 -7.991 -0.684 1.00 0.00 O ATOM 321 OE2 GLU A 21 11.224 -6.268 0.660 1.00 0.00 O ATOM 0 H GLU A 21 6.966 -7.194 -1.589 1.00 0.00 H new ATOM 0 HA GLU A 21 7.163 -9.944 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.461 -9.463 -0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.995 -8.434 -1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.778 -6.512 -0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.886 -7.488 0.987 1.00 0.00 H new ATOM 328 N ASP A 22 6.491 -8.229 1.503 1.00 0.00 N ATOM 329 CA ASP A 22 6.174 -8.309 2.924 1.00 0.00 C ATOM 330 C ASP A 22 4.816 -8.971 3.141 1.00 0.00 C ATOM 331 O ASP A 22 4.304 -9.006 4.259 1.00 0.00 O ATOM 332 CB ASP A 22 6.181 -6.914 3.550 1.00 0.00 C ATOM 333 CG ASP A 22 5.087 -6.024 2.994 1.00 0.00 C ATOM 334 OD1 ASP A 22 3.900 -6.303 3.264 1.00 0.00 O ATOM 335 OD2 ASP A 22 5.417 -5.048 2.289 1.00 0.00 O ATOM 0 H ASP A 22 6.216 -7.353 1.058 1.00 0.00 H new ATOM 0 HA ASP A 22 6.937 -8.919 3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.059 -7.003 4.630 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.150 -6.446 3.376 1.00 0.00 H new ATOM 340 N ASP A 23 4.239 -9.492 2.064 1.00 0.00 N ATOM 341 CA ASP A 23 2.941 -10.152 2.136 1.00 0.00 C ATOM 342 C ASP A 23 3.092 -11.600 2.591 1.00 0.00 C ATOM 343 O ASP A 23 2.775 -11.941 3.732 1.00 0.00 O ATOM 344 CB ASP A 23 2.243 -10.102 0.776 1.00 0.00 C ATOM 345 CG ASP A 23 0.743 -10.293 0.887 1.00 0.00 C ATOM 346 OD1 ASP A 23 0.312 -11.149 1.688 1.00 0.00 O ATOM 347 OD2 ASP A 23 0.001 -9.586 0.174 1.00 0.00 O ATOM 0 H ASP A 23 4.650 -9.470 1.131 1.00 0.00 H new ATOM 0 HA ASP A 23 2.332 -9.622 2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.450 -9.144 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.658 -10.875 0.129 1.00 0.00 H new ATOM 352 N THR A 24 3.577 -12.451 1.692 1.00 0.00 N ATOM 353 CA THR A 24 3.768 -13.862 2.000 1.00 0.00 C ATOM 354 C THR A 24 4.246 -14.633 0.774 1.00 0.00 C ATOM 355 O THR A 24 3.915 -14.284 -0.359 1.00 0.00 O ATOM 356 CB THR A 24 2.468 -14.504 2.521 1.00 0.00 C ATOM 357 OG1 THR A 24 1.352 -13.655 2.231 1.00 0.00 O ATOM 358 CG2 THR A 24 2.549 -14.750 4.020 1.00 0.00 C ATOM 0 H THR A 24 3.845 -12.187 0.744 1.00 0.00 H new ATOM 0 HA THR A 24 4.529 -13.915 2.779 1.00 0.00 H new ATOM 0 HB THR A 24 2.335 -15.462 2.019 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.529 -14.071 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.620 -15.204 4.365 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.382 -15.420 4.234 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.704 -13.803 4.536 1.00 0.00 H new ATOM 366 N VAL A 25 5.027 -15.683 1.009 1.00 0.00 N ATOM 367 CA VAL A 25 5.550 -16.504 -0.077 1.00 0.00 C ATOM 368 C VAL A 25 4.419 -17.119 -0.894 1.00 0.00 C ATOM 369 O VAL A 25 4.389 -17.001 -2.120 1.00 0.00 O ATOM 370 CB VAL A 25 6.454 -17.630 0.457 1.00 0.00 C ATOM 371 CG1 VAL A 25 6.285 -18.892 -0.375 1.00 0.00 C ATOM 372 CG2 VAL A 25 7.908 -17.183 0.472 1.00 0.00 C ATOM 0 H VAL A 25 5.311 -15.985 1.941 1.00 0.00 H new ATOM 0 HA VAL A 25 6.140 -15.847 -0.716 1.00 0.00 H new ATOM 0 HB VAL A 25 6.156 -17.856 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.932 -19.676 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.247 -19.221 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.555 -18.684 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.533 -17.991 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.221 -16.928 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.013 -16.309 1.115 1.00 0.00 H new ATOM 382 N LEU A 26 3.491 -17.776 -0.208 1.00 0.00 N ATOM 383 CA LEU A 26 2.356 -18.411 -0.870 1.00 0.00 C ATOM 384 C LEU A 26 1.531 -17.384 -1.639 1.00 0.00 C ATOM 385 O LEU A 26 0.822 -17.726 -2.585 1.00 0.00 O ATOM 386 CB LEU A 26 1.475 -19.124 0.157 1.00 0.00 C ATOM 387 CG LEU A 26 0.087 -18.526 0.382 1.00 0.00 C ATOM 388 CD1 LEU A 26 -0.887 -19.024 -0.675 1.00 0.00 C ATOM 389 CD2 LEU A 26 -0.420 -18.862 1.777 1.00 0.00 C ATOM 0 H LEU A 26 3.502 -17.883 0.806 1.00 0.00 H new ATOM 0 HA LEU A 26 2.743 -19.144 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.355 -20.161 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.002 -19.137 1.111 1.00 0.00 H new ATOM 0 HG LEU A 26 0.162 -17.442 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.870 -18.587 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.532 -18.732 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.958 -20.110 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.410 -18.428 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.479 -19.944 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.265 -18.455 2.521 1.00 0.00 H new ATOM 401 N ASP A 27 1.629 -16.125 -1.227 1.00 0.00 N ATOM 402 CA ASP A 27 0.894 -15.048 -1.879 1.00 0.00 C ATOM 403 C ASP A 27 1.538 -14.680 -3.212 1.00 0.00 C ATOM 404 O ASP A 27 0.849 -14.499 -4.218 1.00 0.00 O ATOM 405 CB ASP A 27 0.836 -13.818 -0.971 1.00 0.00 C ATOM 406 CG ASP A 27 -0.203 -12.812 -1.424 1.00 0.00 C ATOM 407 OD1 ASP A 27 -0.322 -12.593 -2.647 1.00 0.00 O ATOM 408 OD2 ASP A 27 -0.897 -12.244 -0.555 1.00 0.00 O ATOM 0 H ASP A 27 2.210 -15.825 -0.444 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.121 -15.398 -2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.612 -14.133 0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.815 -13.340 -0.949 1.00 0.00 H new ATOM 413 N LEU A 28 2.862 -14.570 -3.214 1.00 0.00 N ATOM 414 CA LEU A 28 3.599 -14.223 -4.424 1.00 0.00 C ATOM 415 C LEU A 28 3.819 -15.453 -5.300 1.00 0.00 C ATOM 416 O LEU A 28 3.508 -15.445 -6.491 1.00 0.00 O ATOM 417 CB LEU A 28 4.945 -13.594 -4.062 1.00 0.00 C ATOM 418 CG LEU A 28 5.405 -12.436 -4.948 1.00 0.00 C ATOM 419 CD1 LEU A 28 5.692 -11.202 -4.108 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.635 -12.834 -5.751 1.00 0.00 C ATOM 0 H LEU A 28 3.447 -14.716 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 28 3.006 -13.501 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.892 -13.239 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.707 -14.373 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 28 4.602 -12.197 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.018 -10.389 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.787 -10.904 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.477 -11.428 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.948 -11.997 -6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.443 -13.101 -5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.396 -13.689 -6.383 1.00 0.00 H new ATOM 432 N LYS A 29 4.355 -16.511 -4.701 1.00 0.00 N ATOM 433 CA LYS A 29 4.613 -17.751 -5.423 1.00 0.00 C ATOM 434 C LYS A 29 3.378 -18.196 -6.199 1.00 0.00 C ATOM 435 O LYS A 29 3.471 -18.572 -7.367 1.00 0.00 O ATOM 436 CB LYS A 29 5.042 -18.852 -4.451 1.00 0.00 C ATOM 437 CG LYS A 29 6.549 -18.992 -4.317 1.00 0.00 C ATOM 438 CD LYS A 29 7.165 -17.773 -3.650 1.00 0.00 C ATOM 439 CE LYS A 29 7.527 -16.704 -4.670 1.00 0.00 C ATOM 440 NZ LYS A 29 8.858 -16.099 -4.390 1.00 0.00 N ATOM 0 H LYS A 29 4.619 -16.534 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 29 5.420 -17.567 -6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.616 -18.645 -3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.625 -19.802 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.782 -19.883 -3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.992 -19.131 -5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.465 -17.362 -2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.058 -18.070 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.529 -17.141 -5.669 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.765 -15.924 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.295 -15.794 -5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.741 -15.277 -3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.469 -16.803 -3.928 1.00 0.00 H new ATOM 454 N GLN A 30 2.223 -18.148 -5.543 1.00 0.00 N ATOM 455 CA GLN A 30 0.970 -18.546 -6.173 1.00 0.00 C ATOM 456 C GLN A 30 0.719 -17.740 -7.443 1.00 0.00 C ATOM 457 O GLN A 30 0.187 -18.259 -8.425 1.00 0.00 O ATOM 458 CB GLN A 30 -0.195 -18.363 -5.199 1.00 0.00 C ATOM 459 CG GLN A 30 -0.560 -16.907 -4.955 1.00 0.00 C ATOM 460 CD GLN A 30 -1.730 -16.448 -5.802 1.00 0.00 C ATOM 461 OE1 GLN A 30 -2.750 -17.132 -5.896 1.00 0.00 O ATOM 462 NE2 GLN A 30 -1.589 -15.285 -6.426 1.00 0.00 N ATOM 0 H GLN A 30 2.129 -17.838 -4.576 1.00 0.00 H new ATOM 0 HA GLN A 30 1.046 -19.599 -6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.068 -18.888 -5.587 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.061 -18.829 -4.248 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.803 -16.769 -3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.305 -16.279 -5.167 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.727 -14.751 -6.320 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.343 -14.926 -7.011 1.00 0.00 H new ATOM 471 N PHE A 31 1.106 -16.469 -7.417 1.00 0.00 N ATOM 472 CA PHE A 31 0.922 -15.590 -8.566 1.00 0.00 C ATOM 473 C PHE A 31 1.785 -16.042 -9.740 1.00 0.00 C ATOM 474 O PHE A 31 1.277 -16.332 -10.824 1.00 0.00 O ATOM 475 CB PHE A 31 1.264 -14.147 -8.192 1.00 0.00 C ATOM 476 CG PHE A 31 0.708 -13.131 -9.148 1.00 0.00 C ATOM 477 CD1 PHE A 31 -0.605 -12.703 -9.037 1.00 0.00 C ATOM 478 CD2 PHE A 31 1.497 -12.604 -10.157 1.00 0.00 C ATOM 479 CE1 PHE A 31 -1.120 -11.769 -9.915 1.00 0.00 C ATOM 480 CE2 PHE A 31 0.988 -11.669 -11.038 1.00 0.00 C ATOM 481 CZ PHE A 31 -0.322 -11.250 -10.917 1.00 0.00 C ATOM 0 H PHE A 31 1.549 -16.025 -6.613 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.125 -15.641 -8.867 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.883 -13.939 -7.192 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.348 -14.039 -8.149 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.233 -13.104 -8.255 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.523 -12.928 -10.256 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.146 -11.445 -9.818 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.614 -11.266 -11.820 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.722 -10.519 -11.604 1.00 0.00 H new ATOM 491 N LEU A 32 3.094 -16.099 -9.517 1.00 0.00 N ATOM 492 CA LEU A 32 4.030 -16.515 -10.555 1.00 0.00 C ATOM 493 C LEU A 32 3.806 -17.974 -10.937 1.00 0.00 C ATOM 494 O LEU A 32 4.101 -18.386 -12.060 1.00 0.00 O ATOM 495 CB LEU A 32 5.470 -16.315 -10.081 1.00 0.00 C ATOM 496 CG LEU A 32 5.818 -16.917 -8.719 1.00 0.00 C ATOM 497 CD1 LEU A 32 6.219 -18.377 -8.868 1.00 0.00 C ATOM 498 CD2 LEU A 32 6.931 -16.122 -8.053 1.00 0.00 C ATOM 0 H LEU A 32 3.531 -15.862 -8.626 1.00 0.00 H new ATOM 0 HA LEU A 32 3.855 -15.897 -11.436 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.140 -16.743 -10.827 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.674 -15.245 -10.046 1.00 0.00 H new ATOM 0 HG LEU A 32 4.933 -16.867 -8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.463 -18.789 -7.889 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.392 -18.939 -9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.089 -18.451 -9.520 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.165 -16.565 -7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.819 -16.140 -8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.607 -15.091 -7.911 1.00 0.00 H new ATOM 510 N LYS A 33 3.282 -18.753 -9.997 1.00 0.00 N ATOM 511 CA LYS A 33 3.014 -20.166 -10.235 1.00 0.00 C ATOM 512 C LYS A 33 2.082 -20.351 -11.428 1.00 0.00 C ATOM 513 O LYS A 33 2.186 -21.332 -12.165 1.00 0.00 O ATOM 514 CB LYS A 33 2.398 -20.807 -8.989 1.00 0.00 C ATOM 515 CG LYS A 33 1.165 -21.643 -9.282 1.00 0.00 C ATOM 516 CD LYS A 33 1.528 -22.954 -9.960 1.00 0.00 C ATOM 517 CE LYS A 33 0.395 -23.458 -10.841 1.00 0.00 C ATOM 518 NZ LYS A 33 -0.166 -24.743 -10.341 1.00 0.00 N ATOM 0 H LYS A 33 3.034 -18.429 -9.062 1.00 0.00 H new ATOM 0 HA LYS A 33 3.962 -20.656 -10.458 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.146 -21.435 -8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.135 -20.023 -8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.634 -21.848 -8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.485 -21.079 -9.920 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.426 -22.817 -10.563 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.763 -23.703 -9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.395 -22.708 -10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.759 -23.592 -11.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.154 -24.835 -10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.392 -25.536 -10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.128 -24.757 -9.302 1.00 0.00 H new ATOM 532 N THR A 34 1.172 -19.400 -11.614 1.00 0.00 N ATOM 533 CA THR A 34 0.222 -19.458 -12.718 1.00 0.00 C ATOM 534 C THR A 34 0.898 -19.128 -14.044 1.00 0.00 C ATOM 535 O THR A 34 0.445 -19.555 -15.107 1.00 0.00 O ATOM 536 CB THR A 34 -0.954 -18.486 -12.499 1.00 0.00 C ATOM 537 OG1 THR A 34 -2.095 -18.921 -13.246 1.00 0.00 O ATOM 538 CG2 THR A 34 -0.574 -17.074 -12.919 1.00 0.00 C ATOM 0 H THR A 34 1.073 -18.581 -11.015 1.00 0.00 H new ATOM 0 HA THR A 34 -0.160 -20.478 -12.752 1.00 0.00 H new ATOM 0 HB THR A 34 -1.198 -18.479 -11.437 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.838 -18.299 -13.100 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.419 -16.406 -12.755 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.276 -16.735 -12.327 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.306 -17.068 -13.976 1.00 0.00 H new ATOM 546 N LEU A 35 1.985 -18.367 -13.975 1.00 0.00 N ATOM 547 CA LEU A 35 2.725 -17.981 -15.171 1.00 0.00 C ATOM 548 C LEU A 35 3.855 -18.966 -15.454 1.00 0.00 C ATOM 549 O LEU A 35 4.317 -19.089 -16.589 1.00 0.00 O ATOM 550 CB LEU A 35 3.293 -16.570 -15.009 1.00 0.00 C ATOM 551 CG LEU A 35 2.278 -15.470 -14.694 1.00 0.00 C ATOM 552 CD1 LEU A 35 2.971 -14.122 -14.576 1.00 0.00 C ATOM 553 CD2 LEU A 35 1.194 -15.423 -15.760 1.00 0.00 C ATOM 0 H LEU A 35 2.373 -18.005 -13.104 1.00 0.00 H new ATOM 0 HA LEU A 35 2.036 -17.995 -16.015 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.037 -16.589 -14.213 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.815 -16.303 -15.928 1.00 0.00 H new ATOM 0 HG LEU A 35 1.809 -15.699 -13.737 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.233 -13.352 -14.352 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.709 -14.161 -13.775 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.468 -13.885 -15.517 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.481 -14.635 -15.519 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.647 -15.219 -16.730 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.677 -16.382 -15.795 1.00 0.00 H new ATOM 565 N THR A 36 4.295 -19.669 -14.415 1.00 0.00 N ATOM 566 CA THR A 36 5.370 -20.644 -14.552 1.00 0.00 C ATOM 567 C THR A 36 4.825 -22.068 -14.535 1.00 0.00 C ATOM 568 O THR A 36 5.455 -22.990 -15.052 1.00 0.00 O ATOM 569 CB THR A 36 6.412 -20.493 -13.428 1.00 0.00 C ATOM 570 OG1 THR A 36 5.818 -20.805 -12.163 1.00 0.00 O ATOM 571 CG2 THR A 36 6.971 -19.078 -13.396 1.00 0.00 C ATOM 0 H THR A 36 3.923 -19.581 -13.469 1.00 0.00 H new ATOM 0 HA THR A 36 5.851 -20.452 -15.511 1.00 0.00 H new ATOM 0 HB THR A 36 7.230 -21.186 -13.625 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.294 -20.038 -11.849 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.705 -18.995 -12.594 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.448 -18.854 -14.350 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.161 -18.370 -13.221 1.00 0.00 H new ATOM 579 N GLY A 37 3.649 -22.240 -13.939 1.00 0.00 N ATOM 580 CA GLY A 37 3.039 -23.555 -13.867 1.00 0.00 C ATOM 581 C GLY A 37 3.451 -24.318 -12.624 1.00 0.00 C ATOM 582 O GLY A 37 2.711 -25.174 -12.138 1.00 0.00 O ATOM 0 H GLY A 37 3.108 -21.492 -13.505 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.954 -23.450 -13.882 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.316 -24.130 -14.751 1.00 0.00 H new ATOM 586 N VAL A 38 4.637 -24.010 -12.107 1.00 0.00 N ATOM 587 CA VAL A 38 5.146 -24.673 -10.913 1.00 0.00 C ATOM 588 C VAL A 38 4.666 -23.972 -9.648 1.00 0.00 C ATOM 589 O VAL A 38 4.729 -22.746 -9.542 1.00 0.00 O ATOM 590 CB VAL A 38 6.686 -24.717 -10.910 1.00 0.00 C ATOM 591 CG1 VAL A 38 7.189 -25.746 -9.909 1.00 0.00 C ATOM 592 CG2 VAL A 38 7.213 -25.017 -12.305 1.00 0.00 C ATOM 0 H VAL A 38 5.263 -23.305 -12.497 1.00 0.00 H new ATOM 0 HA VAL A 38 4.760 -25.692 -10.928 1.00 0.00 H new ATOM 0 HB VAL A 38 7.059 -23.739 -10.608 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.279 -25.763 -9.921 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.841 -25.482 -8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.808 -26.731 -10.177 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.302 -25.044 -12.284 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.832 -25.982 -12.638 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.883 -24.239 -12.994 1.00 0.00 H new ATOM 602 N LEU A 39 4.187 -24.757 -8.689 1.00 0.00 N ATOM 603 CA LEU A 39 3.696 -24.212 -7.428 1.00 0.00 C ATOM 604 C LEU A 39 4.749 -24.342 -6.332 1.00 0.00 C ATOM 605 O LEU A 39 5.689 -25.130 -6.431 1.00 0.00 O ATOM 606 CB LEU A 39 2.412 -24.928 -7.005 1.00 0.00 C ATOM 607 CG LEU A 39 2.286 -26.389 -7.437 1.00 0.00 C ATOM 608 CD1 LEU A 39 2.036 -26.484 -8.934 1.00 0.00 C ATOM 609 CD2 LEU A 39 3.535 -27.169 -7.053 1.00 0.00 C ATOM 0 H LEU A 39 4.128 -25.773 -8.761 1.00 0.00 H new ATOM 0 HA LEU A 39 3.482 -23.154 -7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.336 -24.883 -5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.562 -24.376 -7.407 1.00 0.00 H new ATOM 0 HG LEU A 39 1.434 -26.828 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.949 -27.531 -9.223 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.112 -25.961 -9.183 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.867 -26.027 -9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.427 -28.207 -7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.404 -26.729 -7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.670 -27.130 -5.972 1.00 0.00 H new ATOM 621 N PRO A 40 4.588 -23.552 -5.260 1.00 0.00 N ATOM 622 CA PRO A 40 5.513 -23.562 -4.123 1.00 0.00 C ATOM 623 C PRO A 40 5.420 -24.849 -3.311 1.00 0.00 C ATOM 624 O PRO A 40 6.353 -25.211 -2.595 1.00 0.00 O ATOM 625 CB PRO A 40 5.058 -22.366 -3.284 1.00 0.00 C ATOM 626 CG PRO A 40 3.621 -22.184 -3.632 1.00 0.00 C ATOM 627 CD PRO A 40 3.490 -22.588 -5.075 1.00 0.00 C ATOM 0 HA PRO A 40 6.553 -23.503 -4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.186 -22.558 -2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.638 -21.474 -3.519 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.984 -22.798 -2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.312 -21.149 -3.487 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.519 -23.040 -5.279 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.590 -21.732 -5.743 1.00 0.00 H new ATOM 635 N GLU A 41 4.287 -25.535 -3.427 1.00 0.00 N ATOM 636 CA GLU A 41 4.073 -26.782 -2.702 1.00 0.00 C ATOM 637 C GLU A 41 5.011 -27.874 -3.208 1.00 0.00 C ATOM 638 O GLU A 41 5.227 -28.883 -2.536 1.00 0.00 O ATOM 639 CB GLU A 41 2.619 -27.237 -2.844 1.00 0.00 C ATOM 640 CG GLU A 41 2.252 -27.673 -4.253 1.00 0.00 C ATOM 641 CD GLU A 41 0.935 -28.423 -4.308 1.00 0.00 C ATOM 642 OE1 GLU A 41 -0.118 -27.764 -4.428 1.00 0.00 O ATOM 643 OE2 GLU A 41 0.959 -29.669 -4.231 1.00 0.00 O ATOM 0 H GLU A 41 3.504 -25.249 -4.015 1.00 0.00 H new ATOM 0 HA GLU A 41 4.289 -26.602 -1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.437 -28.064 -2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.961 -26.422 -2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.193 -26.796 -4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.044 -28.308 -4.651 1.00 0.00 H new ATOM 650 N ARG A 42 5.564 -27.665 -4.398 1.00 0.00 N ATOM 651 CA ARG A 42 6.477 -28.632 -4.996 1.00 0.00 C ATOM 652 C ARG A 42 7.928 -28.199 -4.806 1.00 0.00 C ATOM 653 O ARG A 42 8.793 -29.016 -4.490 1.00 0.00 O ATOM 654 CB ARG A 42 6.174 -28.797 -6.487 1.00 0.00 C ATOM 655 CG ARG A 42 5.124 -29.856 -6.781 1.00 0.00 C ATOM 656 CD ARG A 42 5.719 -31.255 -6.752 1.00 0.00 C ATOM 657 NE ARG A 42 4.708 -32.275 -6.490 1.00 0.00 N ATOM 658 CZ ARG A 42 4.990 -33.560 -6.305 1.00 0.00 C ATOM 659 NH1 ARG A 42 6.247 -33.979 -6.353 1.00 0.00 N ATOM 660 NH2 ARG A 42 4.015 -34.428 -6.071 1.00 0.00 N ATOM 0 H ARG A 42 5.396 -26.835 -4.967 1.00 0.00 H new ATOM 0 HA ARG A 42 6.333 -29.589 -4.495 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.837 -27.841 -6.889 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.095 -29.055 -7.010 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.320 -29.786 -6.048 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.681 -29.668 -7.759 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.204 -31.462 -7.706 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.491 -31.305 -5.984 1.00 0.00 H new ATOM 0 HE ARG A 42 3.731 -31.985 -6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.000 -33.314 -6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.461 -34.966 -6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.047 -34.109 -6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.233 -35.414 -5.929 1.00 0.00 H new ATOM 674 N GLN A 43 8.186 -26.910 -5.003 1.00 0.00 N ATOM 675 CA GLN A 43 9.532 -26.370 -4.854 1.00 0.00 C ATOM 676 C GLN A 43 9.501 -25.014 -4.156 1.00 0.00 C ATOM 677 O GLN A 43 8.434 -24.504 -3.814 1.00 0.00 O ATOM 678 CB GLN A 43 10.205 -26.237 -6.221 1.00 0.00 C ATOM 679 CG GLN A 43 9.223 -26.065 -7.369 1.00 0.00 C ATOM 680 CD GLN A 43 9.724 -25.102 -8.426 1.00 0.00 C ATOM 681 OE1 GLN A 43 10.232 -25.515 -9.469 1.00 0.00 O ATOM 682 NE2 GLN A 43 9.584 -23.808 -8.163 1.00 0.00 N ATOM 0 H GLN A 43 7.481 -26.221 -5.266 1.00 0.00 H new ATOM 0 HA GLN A 43 10.107 -27.062 -4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.882 -25.383 -6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.814 -27.122 -6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.033 -27.035 -7.828 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.271 -25.706 -6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.157 -23.509 -7.286 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.903 -23.113 -8.838 1.00 0.00 H new ATOM 691 N LYS A 44 10.678 -24.434 -3.947 1.00 0.00 N ATOM 692 CA LYS A 44 10.786 -23.137 -3.291 1.00 0.00 C ATOM 693 C LYS A 44 11.733 -22.217 -4.056 1.00 0.00 C ATOM 694 O LYS A 44 12.623 -22.681 -4.770 1.00 0.00 O ATOM 695 CB LYS A 44 11.279 -23.310 -1.852 1.00 0.00 C ATOM 696 CG LYS A 44 12.659 -23.936 -1.753 1.00 0.00 C ATOM 697 CD LYS A 44 12.575 -25.441 -1.559 1.00 0.00 C ATOM 698 CE LYS A 44 13.958 -26.070 -1.474 1.00 0.00 C ATOM 699 NZ LYS A 44 14.533 -25.963 -0.105 1.00 0.00 N ATOM 0 H LYS A 44 11.571 -24.842 -4.223 1.00 0.00 H new ATOM 0 HA LYS A 44 9.796 -22.681 -3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.295 -22.336 -1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.568 -23.930 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.225 -23.716 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.203 -23.490 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.017 -25.661 -0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.022 -25.885 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.898 -27.120 -1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.623 -25.582 -2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.571 -25.996 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.238 -25.064 0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.192 -26.754 0.477 1.00 0.00 H new ATOM 713 N LEU A 45 11.536 -20.913 -3.902 1.00 0.00 N ATOM 714 CA LEU A 45 12.373 -19.927 -4.577 1.00 0.00 C ATOM 715 C LEU A 45 13.727 -19.798 -3.887 1.00 0.00 C ATOM 716 O LEU A 45 13.807 -19.749 -2.658 1.00 0.00 O ATOM 717 CB LEU A 45 11.672 -18.568 -4.609 1.00 0.00 C ATOM 718 CG LEU A 45 10.872 -18.255 -5.873 1.00 0.00 C ATOM 719 CD1 LEU A 45 11.745 -18.406 -7.109 1.00 0.00 C ATOM 720 CD2 LEU A 45 9.650 -19.157 -5.968 1.00 0.00 C ATOM 0 H LEU A 45 10.804 -20.513 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 45 12.538 -20.267 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.999 -18.508 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.424 -17.790 -4.478 1.00 0.00 H new ATOM 0 HG LEU A 45 10.532 -17.221 -5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.158 -18.179 -7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.588 -17.718 -7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.116 -19.429 -7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.092 -18.920 -6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.968 -20.199 -6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.013 -18.999 -5.098 1.00 0.00 H new ATOM 732 N LEU A 46 14.789 -19.740 -4.683 1.00 0.00 N ATOM 733 CA LEU A 46 16.140 -19.614 -4.149 1.00 0.00 C ATOM 734 C LEU A 46 16.215 -18.492 -3.118 1.00 0.00 C ATOM 735 O LEU A 46 15.972 -17.328 -3.433 1.00 0.00 O ATOM 736 CB LEU A 46 17.134 -19.349 -5.281 1.00 0.00 C ATOM 737 CG LEU A 46 18.098 -20.490 -5.609 1.00 0.00 C ATOM 738 CD1 LEU A 46 19.029 -20.093 -6.744 1.00 0.00 C ATOM 739 CD2 LEU A 46 18.896 -20.885 -4.375 1.00 0.00 C ATOM 0 H LEU A 46 14.740 -19.778 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 46 16.399 -20.552 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.571 -19.105 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.721 -18.467 -5.023 1.00 0.00 H new ATOM 0 HG LEU A 46 17.514 -21.352 -5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.708 -20.917 -6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.441 -19.861 -7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.606 -19.216 -6.451 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.577 -21.698 -4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.469 -20.028 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.214 -21.213 -3.590 1.00 0.00 H new ATOM 751 N GLY A 47 16.556 -18.851 -1.884 1.00 0.00 N ATOM 752 CA GLY A 47 16.659 -17.864 -0.826 1.00 0.00 C ATOM 753 C GLY A 47 17.289 -18.426 0.433 1.00 0.00 C ATOM 754 O GLY A 47 18.435 -18.877 0.415 1.00 0.00 O ATOM 0 H GLY A 47 16.763 -19.808 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.250 -17.019 -1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.665 -17.482 -0.592 1.00 0.00 H new ATOM 758 N LEU A 48 16.541 -18.399 1.530 1.00 0.00 N ATOM 759 CA LEU A 48 17.033 -18.909 2.805 1.00 0.00 C ATOM 760 C LEU A 48 15.951 -19.705 3.528 1.00 0.00 C ATOM 761 O LEU A 48 14.773 -19.633 3.177 1.00 0.00 O ATOM 762 CB LEU A 48 17.508 -17.755 3.689 1.00 0.00 C ATOM 763 CG LEU A 48 18.347 -18.144 4.907 1.00 0.00 C ATOM 764 CD1 LEU A 48 19.550 -18.973 4.484 1.00 0.00 C ATOM 765 CD2 LEU A 48 18.793 -16.903 5.666 1.00 0.00 C ATOM 0 H LEU A 48 15.591 -18.029 1.562 1.00 0.00 H new ATOM 0 HA LEU A 48 17.873 -19.574 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 48 18.092 -17.070 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.633 -17.206 4.036 1.00 0.00 H new ATOM 0 HG LEU A 48 17.730 -18.749 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.135 -19.240 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.209 -19.880 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 48 20.169 -18.393 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.389 -17.199 6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 48 19.393 -16.272 5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 48 17.917 -16.348 6.003 1.00 0.00 H new ATOM 777 N LYS A 49 16.358 -20.464 4.540 1.00 0.00 N ATOM 778 CA LYS A 49 15.423 -21.271 5.315 1.00 0.00 C ATOM 779 C LYS A 49 15.259 -20.710 6.724 1.00 0.00 C ATOM 780 O LYS A 49 16.241 -20.424 7.408 1.00 0.00 O ATOM 781 CB LYS A 49 15.908 -22.721 5.386 1.00 0.00 C ATOM 782 CG LYS A 49 16.482 -23.235 4.077 1.00 0.00 C ATOM 783 CD LYS A 49 16.481 -24.754 4.025 1.00 0.00 C ATOM 784 CE LYS A 49 17.110 -25.268 2.739 1.00 0.00 C ATOM 785 NZ LYS A 49 17.627 -26.657 2.891 1.00 0.00 N ATOM 0 H LYS A 49 17.329 -20.537 4.843 1.00 0.00 H new ATOM 0 HA LYS A 49 14.455 -21.241 4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.668 -22.804 6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 49 15.076 -23.359 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.900 -22.841 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.501 -22.867 3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.027 -25.149 4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 49 15.458 -25.121 4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.372 -25.241 1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.925 -24.607 2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.048 -26.971 1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.350 -26.679 3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.845 -27.292 3.148 1.00 0.00 H new ATOM 799 N VAL A 50 14.010 -20.557 7.153 1.00 0.00 N ATOM 800 CA VAL A 50 13.716 -20.033 8.481 1.00 0.00 C ATOM 801 C VAL A 50 13.168 -21.124 9.394 1.00 0.00 C ATOM 802 O VAL A 50 12.343 -21.939 8.979 1.00 0.00 O ATOM 803 CB VAL A 50 12.703 -18.875 8.417 1.00 0.00 C ATOM 804 CG1 VAL A 50 11.339 -19.383 7.975 1.00 0.00 C ATOM 805 CG2 VAL A 50 12.609 -18.174 9.764 1.00 0.00 C ATOM 0 H VAL A 50 13.185 -20.789 6.599 1.00 0.00 H new ATOM 0 HA VAL A 50 14.656 -19.661 8.889 1.00 0.00 H new ATOM 0 HB VAL A 50 13.051 -18.151 7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.636 -18.551 7.936 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.422 -19.835 6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.980 -20.128 8.686 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.889 -17.358 9.700 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.285 -18.886 10.523 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.586 -17.775 10.035 1.00 0.00 H new ATOM 815 N LYS A 51 13.630 -21.135 10.639 1.00 0.00 N ATOM 816 CA LYS A 51 13.185 -22.124 11.613 1.00 0.00 C ATOM 817 C LYS A 51 13.517 -23.537 11.143 1.00 0.00 C ATOM 818 O LYS A 51 12.942 -24.513 11.624 1.00 0.00 O ATOM 819 CB LYS A 51 11.679 -21.995 11.851 1.00 0.00 C ATOM 820 CG LYS A 51 11.245 -20.596 12.254 1.00 0.00 C ATOM 821 CD LYS A 51 11.599 -20.298 13.701 1.00 0.00 C ATOM 822 CE LYS A 51 12.895 -19.509 13.807 1.00 0.00 C ATOM 823 NZ LYS A 51 12.647 -18.042 13.873 1.00 0.00 N ATOM 0 H LYS A 51 14.314 -20.469 10.998 1.00 0.00 H new ATOM 0 HA LYS A 51 13.711 -21.938 12.549 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.150 -22.283 10.943 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.381 -22.697 12.630 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.723 -19.864 11.603 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.169 -20.493 12.113 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.790 -19.735 14.166 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.695 -21.233 14.253 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.441 -19.825 14.696 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.527 -19.732 12.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.555 -17.539 13.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.148 -17.735 13.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.065 -17.826 14.707 1.00 0.00 H new ATOM 837 N GLY A 52 14.450 -23.639 10.201 1.00 0.00 N ATOM 838 CA GLY A 52 14.843 -24.937 9.684 1.00 0.00 C ATOM 839 C GLY A 52 13.978 -25.384 8.521 1.00 0.00 C ATOM 840 O GLY A 52 14.214 -26.438 7.931 1.00 0.00 O ATOM 0 H GLY A 52 14.940 -22.846 9.787 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.884 -24.897 9.364 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.783 -25.676 10.483 1.00 0.00 H new ATOM 844 N LYS A 53 12.972 -24.580 8.192 1.00 0.00 N ATOM 845 CA LYS A 53 12.068 -24.898 7.092 1.00 0.00 C ATOM 846 C LYS A 53 12.421 -24.090 5.848 1.00 0.00 C ATOM 847 O LYS A 53 12.834 -22.933 5.926 1.00 0.00 O ATOM 848 CB LYS A 53 10.620 -24.620 7.500 1.00 0.00 C ATOM 849 CG LYS A 53 10.048 -25.654 8.455 1.00 0.00 C ATOM 850 CD LYS A 53 8.968 -26.490 7.790 1.00 0.00 C ATOM 851 CE LYS A 53 8.331 -27.462 8.772 1.00 0.00 C ATOM 852 NZ LYS A 53 7.280 -28.295 8.125 1.00 0.00 N ATOM 0 H LYS A 53 12.762 -23.704 8.671 1.00 0.00 H new ATOM 0 HA LYS A 53 12.177 -25.957 6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.565 -23.637 7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.000 -24.582 6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.847 -26.305 8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.634 -25.153 9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.202 -25.834 7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.398 -27.044 6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.100 -28.110 9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.894 -26.906 9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.870 -28.944 8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.533 -27.679 7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.702 -28.845 7.350 1.00 0.00 H new ATOM 866 N PRO A 54 12.253 -24.711 4.671 1.00 0.00 N ATOM 867 CA PRO A 54 12.546 -24.067 3.387 1.00 0.00 C ATOM 868 C PRO A 54 11.553 -22.959 3.054 1.00 0.00 C ATOM 869 O PRO A 54 10.802 -23.056 2.084 1.00 0.00 O ATOM 870 CB PRO A 54 12.425 -25.213 2.379 1.00 0.00 C ATOM 871 CG PRO A 54 11.504 -26.190 3.025 1.00 0.00 C ATOM 872 CD PRO A 54 11.764 -26.090 4.503 1.00 0.00 C ATOM 0 HA PRO A 54 13.523 -23.583 3.388 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.026 -24.863 1.427 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.396 -25.662 2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.464 -25.957 2.795 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.692 -27.201 2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.859 -26.269 5.083 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.503 -26.821 4.831 1.00 0.00 H new ATOM 880 N ALA A 55 11.555 -21.906 3.865 1.00 0.00 N ATOM 881 CA ALA A 55 10.656 -20.778 3.655 1.00 0.00 C ATOM 882 C ALA A 55 9.221 -21.251 3.449 1.00 0.00 C ATOM 883 O ALA A 55 8.767 -21.411 2.317 1.00 0.00 O ATOM 884 CB ALA A 55 11.117 -19.950 2.464 1.00 0.00 C ATOM 0 H ALA A 55 12.169 -21.811 4.674 1.00 0.00 H new ATOM 0 HA ALA A 55 10.681 -20.154 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.436 -19.111 2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.123 -19.573 2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.122 -20.572 1.569 1.00 0.00 H new ATOM 890 N GLU A 56 8.512 -21.473 4.552 1.00 0.00 N ATOM 891 CA GLU A 56 7.129 -21.929 4.491 1.00 0.00 C ATOM 892 C GLU A 56 6.297 -21.024 3.587 1.00 0.00 C ATOM 893 O GLU A 56 6.767 -19.982 3.132 1.00 0.00 O ATOM 894 CB GLU A 56 6.518 -21.967 5.894 1.00 0.00 C ATOM 895 CG GLU A 56 5.524 -23.098 6.094 1.00 0.00 C ATOM 896 CD GLU A 56 5.980 -24.097 7.140 1.00 0.00 C ATOM 897 OE1 GLU A 56 6.459 -23.661 8.208 1.00 0.00 O ATOM 898 OE2 GLU A 56 5.857 -25.314 6.891 1.00 0.00 O ATOM 0 H GLU A 56 8.873 -21.344 5.497 1.00 0.00 H new ATOM 0 HA GLU A 56 7.124 -22.936 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.319 -22.064 6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.020 -21.018 6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.561 -22.682 6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.371 -23.614 5.146 1.00 0.00 H new ATOM 905 N ASN A 57 5.057 -21.430 3.331 1.00 0.00 N ATOM 906 CA ASN A 57 4.160 -20.657 2.481 1.00 0.00 C ATOM 907 C ASN A 57 3.753 -19.353 3.162 1.00 0.00 C ATOM 908 O ASN A 57 3.547 -18.335 2.502 1.00 0.00 O ATOM 909 CB ASN A 57 2.914 -21.477 2.140 1.00 0.00 C ATOM 910 CG ASN A 57 3.212 -22.959 2.022 1.00 0.00 C ATOM 911 OD1 ASN A 57 4.201 -23.358 1.406 1.00 0.00 O ATOM 912 ND2 ASN A 57 2.355 -23.784 2.613 1.00 0.00 N ATOM 0 H ASN A 57 4.651 -22.290 3.700 1.00 0.00 H new ATOM 0 HA ASN A 57 4.691 -20.415 1.561 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.158 -21.321 2.910 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.492 -21.118 1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.503 -24.792 2.567 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.549 -23.409 3.113 1.00 0.00 H new ATOM 919 N ASP A 58 3.641 -19.394 4.485 1.00 0.00 N ATOM 920 CA ASP A 58 3.261 -18.216 5.256 1.00 0.00 C ATOM 921 C ASP A 58 4.455 -17.287 5.453 1.00 0.00 C ATOM 922 O ASP A 58 4.306 -16.158 5.922 1.00 0.00 O ATOM 923 CB ASP A 58 2.692 -18.631 6.614 1.00 0.00 C ATOM 924 CG ASP A 58 1.211 -18.946 6.549 1.00 0.00 C ATOM 925 OD1 ASP A 58 0.465 -18.165 5.921 1.00 0.00 O ATOM 926 OD2 ASP A 58 0.796 -19.973 7.127 1.00 0.00 O ATOM 0 H ASP A 58 3.808 -20.230 5.046 1.00 0.00 H new ATOM 0 HA ASP A 58 2.494 -17.679 4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.231 -19.506 6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.859 -17.830 7.335 1.00 0.00 H new ATOM 931 N VAL A 59 5.640 -17.770 5.093 1.00 0.00 N ATOM 932 CA VAL A 59 6.860 -16.984 5.230 1.00 0.00 C ATOM 933 C VAL A 59 6.904 -15.855 4.207 1.00 0.00 C ATOM 934 O VAL A 59 6.687 -16.074 3.015 1.00 0.00 O ATOM 935 CB VAL A 59 8.115 -17.862 5.066 1.00 0.00 C ATOM 936 CG1 VAL A 59 9.370 -17.002 5.049 1.00 0.00 C ATOM 937 CG2 VAL A 59 8.186 -18.902 6.173 1.00 0.00 C ATOM 0 H VAL A 59 5.781 -18.702 4.704 1.00 0.00 H new ATOM 0 HA VAL A 59 6.852 -16.560 6.234 1.00 0.00 H new ATOM 0 HB VAL A 59 8.049 -18.385 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.246 -17.640 4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.319 -16.300 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.445 -16.450 5.986 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.079 -19.513 6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.228 -18.401 7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.302 -19.538 6.132 1.00 0.00 H new ATOM 947 N LYS A 60 7.188 -14.646 4.679 1.00 0.00 N ATOM 948 CA LYS A 60 7.263 -13.481 3.805 1.00 0.00 C ATOM 949 C LYS A 60 8.423 -13.611 2.824 1.00 0.00 C ATOM 950 O LYS A 60 9.356 -14.383 3.049 1.00 0.00 O ATOM 951 CB LYS A 60 7.423 -12.205 4.635 1.00 0.00 C ATOM 952 CG LYS A 60 6.725 -12.264 5.983 1.00 0.00 C ATOM 953 CD LYS A 60 6.084 -10.933 6.338 1.00 0.00 C ATOM 954 CE LYS A 60 4.573 -11.056 6.460 1.00 0.00 C ATOM 955 NZ LYS A 60 4.166 -11.585 7.791 1.00 0.00 N ATOM 0 H LYS A 60 7.370 -14.447 5.663 1.00 0.00 H new ATOM 0 HA LYS A 60 6.335 -13.423 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.485 -12.015 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.029 -11.361 4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.963 -13.043 5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.444 -12.540 6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.497 -10.568 7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.329 -10.195 5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.115 -10.080 6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.198 -11.715 5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.129 -11.654 7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.582 -12.528 7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.502 -10.943 8.537 1.00 0.00 H new ATOM 969 N LEU A 61 8.360 -12.851 1.736 1.00 0.00 N ATOM 970 CA LEU A 61 9.406 -12.880 0.721 1.00 0.00 C ATOM 971 C LEU A 61 10.672 -12.193 1.223 1.00 0.00 C ATOM 972 O LEU A 61 11.704 -12.834 1.414 1.00 0.00 O ATOM 973 CB LEU A 61 8.919 -12.202 -0.561 1.00 0.00 C ATOM 974 CG LEU A 61 7.796 -12.916 -1.313 1.00 0.00 C ATOM 975 CD1 LEU A 61 8.122 -14.392 -1.484 1.00 0.00 C ATOM 976 CD2 LEU A 61 6.471 -12.742 -0.585 1.00 0.00 C ATOM 0 H LEU A 61 7.595 -12.207 1.535 1.00 0.00 H new ATOM 0 HA LEU A 61 9.641 -13.923 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.579 -11.197 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.768 -12.092 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 61 7.706 -12.468 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.311 -14.884 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.048 -14.497 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.241 -14.854 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.683 -13.257 -1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.549 -13.163 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.231 -11.681 -0.515 1.00 0.00 H new ATOM 988 N GLY A 62 10.584 -10.884 1.438 1.00 0.00 N ATOM 989 CA GLY A 62 11.728 -10.132 1.919 1.00 0.00 C ATOM 990 C GLY A 62 12.302 -10.705 3.199 1.00 0.00 C ATOM 991 O GLY A 62 13.401 -10.338 3.613 1.00 0.00 O ATOM 0 H GLY A 62 9.740 -10.331 1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.501 -10.122 1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.433 -9.096 2.088 1.00 0.00 H new ATOM 995 N ALA A 63 11.556 -11.607 3.828 1.00 0.00 N ATOM 996 CA ALA A 63 11.997 -12.232 5.069 1.00 0.00 C ATOM 997 C ALA A 63 13.300 -12.997 4.865 1.00 0.00 C ATOM 998 O ALA A 63 14.312 -12.701 5.501 1.00 0.00 O ATOM 999 CB ALA A 63 10.917 -13.160 5.606 1.00 0.00 C ATOM 0 H ALA A 63 10.643 -11.921 3.499 1.00 0.00 H new ATOM 0 HA ALA A 63 12.179 -11.443 5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.260 -13.620 6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.009 -12.588 5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.707 -13.937 4.871 1.00 0.00 H new ATOM 1005 N LEU A 64 13.269 -13.982 3.974 1.00 0.00 N ATOM 1006 CA LEU A 64 14.449 -14.791 3.686 1.00 0.00 C ATOM 1007 C LEU A 64 14.771 -14.773 2.195 1.00 0.00 C ATOM 1008 O LEU A 64 15.937 -14.795 1.800 1.00 0.00 O ATOM 1009 CB LEU A 64 14.232 -16.230 4.156 1.00 0.00 C ATOM 1010 CG LEU A 64 12.779 -16.653 4.374 1.00 0.00 C ATOM 1011 CD1 LEU A 64 12.042 -16.736 3.045 1.00 0.00 C ATOM 1012 CD2 LEU A 64 12.715 -17.986 5.105 1.00 0.00 C ATOM 0 H LEU A 64 12.440 -14.240 3.439 1.00 0.00 H new ATOM 0 HA LEU A 64 15.294 -14.363 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.679 -16.902 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.775 -16.372 5.091 1.00 0.00 H new ATOM 0 HG LEU A 64 12.290 -15.899 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.009 -17.038 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.057 -15.760 2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.531 -17.469 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.673 -18.271 5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.221 -18.750 4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.205 -17.893 6.074 1.00 0.00 H new ATOM 1024 N LYS A 65 13.729 -14.732 1.371 1.00 0.00 N ATOM 1025 CA LYS A 65 13.899 -14.708 -0.077 1.00 0.00 C ATOM 1026 C LYS A 65 14.922 -13.653 -0.487 1.00 0.00 C ATOM 1027 O LYS A 65 16.105 -13.954 -0.656 1.00 0.00 O ATOM 1028 CB LYS A 65 12.560 -14.429 -0.764 1.00 0.00 C ATOM 1029 CG LYS A 65 11.484 -15.449 -0.434 1.00 0.00 C ATOM 1030 CD LYS A 65 11.786 -16.801 -1.058 1.00 0.00 C ATOM 1031 CE LYS A 65 11.839 -17.900 -0.009 1.00 0.00 C ATOM 1032 NZ LYS A 65 11.449 -19.223 -0.571 1.00 0.00 N ATOM 0 H LYS A 65 12.758 -14.715 1.682 1.00 0.00 H new ATOM 0 HA LYS A 65 14.265 -15.686 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.211 -13.438 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.712 -14.409 -1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.403 -15.557 0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.519 -15.090 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.022 -17.040 -1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.738 -16.754 -1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.847 -17.962 0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.174 -17.646 0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.511 -19.491 -0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.416 -19.163 -1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.147 -19.940 -0.288 1.00 0.00 H new ATOM 1046 N LEU A 66 14.461 -12.418 -0.644 1.00 0.00 N ATOM 1047 CA LEU A 66 15.336 -11.318 -1.033 1.00 0.00 C ATOM 1048 C LEU A 66 14.539 -10.034 -1.240 1.00 0.00 C ATOM 1049 O LEU A 66 13.344 -9.978 -0.946 1.00 0.00 O ATOM 1050 CB LEU A 66 16.095 -11.672 -2.313 1.00 0.00 C ATOM 1051 CG LEU A 66 15.306 -12.447 -3.368 1.00 0.00 C ATOM 1052 CD1 LEU A 66 14.178 -11.592 -3.925 1.00 0.00 C ATOM 1053 CD2 LEU A 66 16.227 -12.913 -4.487 1.00 0.00 C ATOM 0 H LEU A 66 13.486 -12.153 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 66 16.051 -11.154 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.457 -10.748 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.973 -12.258 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 66 14.869 -13.326 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.627 -12.160 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.504 -11.308 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.594 -10.695 -4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.648 -13.463 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.693 -12.048 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.000 -13.562 -4.076 1.00 0.00 H new ATOM 1065 N LYS A 67 15.206 -9.005 -1.750 1.00 0.00 N ATOM 1066 CA LYS A 67 14.560 -7.722 -2.001 1.00 0.00 C ATOM 1067 C LYS A 67 13.468 -7.860 -3.056 1.00 0.00 C ATOM 1068 O LYS A 67 13.376 -8.865 -3.762 1.00 0.00 O ATOM 1069 CB LYS A 67 15.593 -6.687 -2.453 1.00 0.00 C ATOM 1070 CG LYS A 67 16.010 -5.724 -1.355 1.00 0.00 C ATOM 1071 CD LYS A 67 16.709 -4.500 -1.923 1.00 0.00 C ATOM 1072 CE LYS A 67 18.147 -4.810 -2.311 1.00 0.00 C ATOM 1073 NZ LYS A 67 18.879 -3.588 -2.748 1.00 0.00 N ATOM 0 H LYS A 67 16.195 -9.034 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 67 14.102 -7.386 -1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.477 -7.206 -2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.184 -6.118 -3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.132 -5.413 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.675 -6.233 -0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.165 -4.141 -2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.695 -3.697 -1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.663 -5.259 -1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.156 -5.546 -3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.855 -3.841 -3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.401 -3.173 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.893 -2.896 -1.972 1.00 0.00 H new ATOM 1087 N PRO A 68 12.619 -6.827 -3.170 1.00 0.00 N ATOM 1088 CA PRO A 68 11.519 -6.809 -4.139 1.00 0.00 C ATOM 1089 C PRO A 68 12.014 -6.687 -5.576 1.00 0.00 C ATOM 1090 O PRO A 68 11.806 -7.584 -6.392 1.00 0.00 O ATOM 1091 CB PRO A 68 10.718 -5.567 -3.742 1.00 0.00 C ATOM 1092 CG PRO A 68 11.704 -4.681 -3.062 1.00 0.00 C ATOM 1093 CD PRO A 68 12.669 -5.597 -2.362 1.00 0.00 C ATOM 0 HA PRO A 68 10.940 -7.732 -4.116 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.285 -5.080 -4.615 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.893 -5.824 -3.078 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.221 -4.047 -3.782 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.209 -4.019 -2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.674 -5.176 -2.333 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.371 -5.782 -1.330 1.00 0.00 H new ATOM 1101 N ASN A 69 12.671 -5.572 -5.878 1.00 0.00 N ATOM 1102 CA ASN A 69 13.196 -5.333 -7.218 1.00 0.00 C ATOM 1103 C ASN A 69 14.121 -6.468 -7.650 1.00 0.00 C ATOM 1104 O ASN A 69 14.336 -6.689 -8.842 1.00 0.00 O ATOM 1105 CB ASN A 69 13.948 -4.002 -7.264 1.00 0.00 C ATOM 1106 CG ASN A 69 14.917 -3.845 -6.108 1.00 0.00 C ATOM 1107 OD1 ASN A 69 15.942 -4.524 -6.047 1.00 0.00 O ATOM 1108 ND2 ASN A 69 14.596 -2.946 -5.184 1.00 0.00 N ATOM 0 H ASN A 69 12.853 -4.820 -5.213 1.00 0.00 H new ATOM 0 HA ASN A 69 12.354 -5.291 -7.909 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.494 -3.929 -8.205 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.230 -3.182 -7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.210 -2.796 -4.383 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.736 -2.405 -5.275 1.00 0.00 H new ATOM 1115 N THR A 70 14.665 -7.185 -6.672 1.00 0.00 N ATOM 1116 CA THR A 70 15.567 -8.296 -6.950 1.00 0.00 C ATOM 1117 C THR A 70 14.811 -9.485 -7.532 1.00 0.00 C ATOM 1118 O THR A 70 13.651 -9.722 -7.196 1.00 0.00 O ATOM 1119 CB THR A 70 16.310 -8.748 -5.679 1.00 0.00 C ATOM 1120 OG1 THR A 70 17.101 -7.670 -5.164 1.00 0.00 O ATOM 1121 CG2 THR A 70 17.203 -9.944 -5.970 1.00 0.00 C ATOM 0 H THR A 70 14.497 -7.016 -5.680 1.00 0.00 H new ATOM 0 HA THR A 70 16.294 -7.938 -7.679 1.00 0.00 H new ATOM 0 HB THR A 70 15.568 -9.041 -4.936 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.689 -8.005 -4.455 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.717 -10.245 -5.057 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.595 -10.772 -6.334 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.938 -9.673 -6.728 1.00 0.00 H new ATOM 1129 N LYS A 71 15.476 -10.230 -8.408 1.00 0.00 N ATOM 1130 CA LYS A 71 14.869 -11.397 -9.037 1.00 0.00 C ATOM 1131 C LYS A 71 15.263 -12.677 -8.307 1.00 0.00 C ATOM 1132 O LYS A 71 16.371 -12.785 -7.779 1.00 0.00 O ATOM 1133 CB LYS A 71 15.288 -11.486 -10.506 1.00 0.00 C ATOM 1134 CG LYS A 71 16.780 -11.695 -10.702 1.00 0.00 C ATOM 1135 CD LYS A 71 17.512 -10.373 -10.856 1.00 0.00 C ATOM 1136 CE LYS A 71 17.915 -10.125 -12.302 1.00 0.00 C ATOM 1137 NZ LYS A 71 18.992 -9.102 -12.409 1.00 0.00 N ATOM 0 H LYS A 71 16.436 -10.046 -8.699 1.00 0.00 H new ATOM 0 HA LYS A 71 13.786 -11.286 -8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.749 -12.307 -10.980 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.988 -10.571 -11.017 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.187 -12.240 -9.850 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.949 -12.311 -11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.874 -9.560 -10.510 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.400 -10.372 -10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.255 -11.059 -12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.045 -9.797 -12.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.239 -8.961 -13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.659 -8.204 -12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.832 -9.426 -11.888 1.00 0.00 H new ATOM 1151 N ILE A 72 14.352 -13.643 -8.281 1.00 0.00 N ATOM 1152 CA ILE A 72 14.606 -14.915 -7.617 1.00 0.00 C ATOM 1153 C ILE A 72 14.601 -16.067 -8.615 1.00 0.00 C ATOM 1154 O ILE A 72 13.996 -15.973 -9.683 1.00 0.00 O ATOM 1155 CB ILE A 72 13.563 -15.197 -6.519 1.00 0.00 C ATOM 1156 CG1 ILE A 72 12.545 -14.057 -6.449 1.00 0.00 C ATOM 1157 CG2 ILE A 72 14.247 -15.386 -5.174 1.00 0.00 C ATOM 1158 CD1 ILE A 72 11.525 -14.225 -5.344 1.00 0.00 C ATOM 0 H ILE A 72 13.431 -13.569 -8.712 1.00 0.00 H new ATOM 0 HA ILE A 72 15.592 -14.839 -7.158 1.00 0.00 H new ATOM 0 HB ILE A 72 13.035 -16.117 -6.768 1.00 0.00 H new ATOM 0 HG12 ILE A 72 13.075 -13.116 -6.303 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.025 -13.986 -7.404 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.496 -15.584 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.937 -16.228 -5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.798 -14.482 -4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.836 -13.381 -5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.969 -15.149 -5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.035 -14.266 -4.381 1.00 0.00 H new ATOM 1170 N MET A 73 15.277 -17.155 -8.260 1.00 0.00 N ATOM 1171 CA MET A 73 15.347 -18.327 -9.124 1.00 0.00 C ATOM 1172 C MET A 73 14.435 -19.436 -8.611 1.00 0.00 C ATOM 1173 O MET A 73 14.313 -19.643 -7.404 1.00 0.00 O ATOM 1174 CB MET A 73 16.787 -18.836 -9.214 1.00 0.00 C ATOM 1175 CG MET A 73 17.533 -18.336 -10.441 1.00 0.00 C ATOM 1176 SD MET A 73 19.170 -19.073 -10.606 1.00 0.00 S ATOM 1177 CE MET A 73 19.021 -19.875 -12.200 1.00 0.00 C ATOM 0 H MET A 73 15.784 -17.249 -7.380 1.00 0.00 H new ATOM 0 HA MET A 73 15.010 -18.034 -10.118 1.00 0.00 H new ATOM 0 HB2 MET A 73 17.329 -18.529 -8.319 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.779 -19.926 -9.223 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.947 -18.558 -11.333 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.631 -17.252 -10.385 1.00 0.00 H new ATOM 0 HE1 MET A 73 19.957 -20.377 -12.444 1.00 0.00 H new ATOM 0 HE2 MET A 73 18.215 -20.608 -12.165 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.800 -19.129 -12.963 1.00 0.00 H new ATOM 1187 N MET A 74 13.796 -20.146 -9.535 1.00 0.00 N ATOM 1188 CA MET A 74 12.895 -21.235 -9.175 1.00 0.00 C ATOM 1189 C MET A 74 13.574 -22.588 -9.363 1.00 0.00 C ATOM 1190 O MET A 74 13.937 -22.960 -10.479 1.00 0.00 O ATOM 1191 CB MET A 74 11.619 -21.170 -10.017 1.00 0.00 C ATOM 1192 CG MET A 74 10.606 -20.157 -9.509 1.00 0.00 C ATOM 1193 SD MET A 74 9.052 -20.212 -10.420 1.00 0.00 S ATOM 1194 CE MET A 74 8.072 -21.267 -9.355 1.00 0.00 C ATOM 0 H MET A 74 13.885 -19.987 -10.539 1.00 0.00 H new ATOM 0 HA MET A 74 12.633 -21.123 -8.123 1.00 0.00 H new ATOM 0 HB2 MET A 74 11.884 -20.922 -11.045 1.00 0.00 H new ATOM 0 HB3 MET A 74 11.156 -22.156 -10.036 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.410 -20.343 -8.453 1.00 0.00 H new ATOM 0 HG3 MET A 74 11.031 -19.156 -9.583 1.00 0.00 H new ATOM 0 HE1 MET A 74 7.030 -20.949 -9.387 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.147 -22.299 -9.696 1.00 0.00 H new ATOM 0 HE3 MET A 74 8.442 -21.195 -8.332 1.00 0.00 H new ATOM 1204 N MET A 75 13.744 -23.318 -8.266 1.00 0.00 N ATOM 1205 CA MET A 75 14.379 -24.630 -8.312 1.00 0.00 C ATOM 1206 C MET A 75 13.369 -25.734 -8.017 1.00 0.00 C ATOM 1207 O MET A 75 12.875 -25.853 -6.896 1.00 0.00 O ATOM 1208 CB MET A 75 15.533 -24.697 -7.310 1.00 0.00 C ATOM 1209 CG MET A 75 16.490 -23.520 -7.406 1.00 0.00 C ATOM 1210 SD MET A 75 18.213 -24.007 -7.187 1.00 0.00 S ATOM 1211 CE MET A 75 18.106 -24.956 -5.671 1.00 0.00 C ATOM 0 H MET A 75 13.451 -23.024 -7.334 1.00 0.00 H new ATOM 0 HA MET A 75 14.771 -24.781 -9.318 1.00 0.00 H new ATOM 0 HB2 MET A 75 15.125 -24.741 -6.300 1.00 0.00 H new ATOM 0 HB3 MET A 75 16.089 -25.621 -7.470 1.00 0.00 H new ATOM 0 HG2 MET A 75 16.373 -23.040 -8.377 1.00 0.00 H new ATOM 0 HG3 MET A 75 16.227 -22.780 -6.650 1.00 0.00 H new ATOM 0 HE1 MET A 75 19.086 -24.994 -5.196 1.00 0.00 H new ATOM 0 HE2 MET A 75 17.393 -24.483 -4.995 1.00 0.00 H new ATOM 0 HE3 MET A 75 17.774 -25.969 -5.898 1.00 0.00 H new ATOM 1221 N GLY A 76 13.065 -26.539 -9.030 1.00 0.00 N ATOM 1222 CA GLY A 76 12.114 -27.622 -8.858 1.00 0.00 C ATOM 1223 C GLY A 76 11.502 -28.070 -10.170 1.00 0.00 C ATOM 1224 O GLY A 76 12.100 -27.901 -11.234 1.00 0.00 O ATOM 0 H GLY A 76 13.460 -26.461 -9.967 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.613 -28.468 -8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.322 -27.302 -8.182 1.00 0.00 H new ATOM 1228 N THR A 77 10.306 -28.646 -10.098 1.00 0.00 N ATOM 1229 CA THR A 77 9.613 -29.122 -11.288 1.00 0.00 C ATOM 1230 C THR A 77 8.153 -28.683 -11.288 1.00 0.00 C ATOM 1231 O THR A 77 7.530 -28.569 -10.232 1.00 0.00 O ATOM 1232 CB THR A 77 9.675 -30.658 -11.397 1.00 0.00 C ATOM 1233 OG1 THR A 77 8.629 -31.130 -12.254 1.00 0.00 O ATOM 1234 CG2 THR A 77 9.546 -31.303 -10.026 1.00 0.00 C ATOM 0 H THR A 77 9.797 -28.794 -9.227 1.00 0.00 H new ATOM 0 HA THR A 77 10.121 -28.682 -12.146 1.00 0.00 H new ATOM 0 HB THR A 77 10.642 -30.933 -11.820 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.676 -32.107 -12.320 1.00 0.00 H new ATOM 0 HG21 THR A 77 9.592 -32.387 -10.128 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.360 -30.964 -9.386 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.592 -31.021 -9.580 1.00 0.00 H new