USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 680 hydrogens (1 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 GLN : amide:sc= 0.104 X(o=0.33,f=0.48) USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0.199 USER MOD Set 1.3: A 36 THR OG1 : rot -149:sc= 0.0239 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 73 MET CE :methyl -128:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 166:sc=-0.00513 (180deg=-0.235) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0955 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 52:sc= 0.0857 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 54:sc= 0.458 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= -0.113 (180deg=-0.786) USER MOD Single : A 30 GLN : amide:sc= -0.665 K(o=-0.67,f=-2.3!) USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= -0.522 (180deg=-1.56!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0748 USER MOD Single : A 43 GLN : amide:sc= -4.38! C(o=-4.4!,f=-9!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 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= -1.06 K(o=-1.1,f=-8.5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 0.0352 (180deg=0.0182) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.68) USER MOD Single : A 70 THR OG1 : rot 113:sc= -1.85! USER MOD Single : A 71 LYS NZ :NH3+ -168:sc=-0.00245 (180deg=-0.171) USER MOD Single : A 74 MET CE :methyl -173:sc= -2.77 (180deg=-2.89) USER MOD Single : A 75 MET CE :methyl 176:sc= 0 (180deg=-0.0146) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.083 -0.501 -0.396 1.00 43.22 N ATOM 2 CA MET A 1 3.553 -0.275 -1.758 1.00 53.32 C ATOM 3 C MET A 1 4.291 1.056 -1.865 1.00 25.51 C ATOM 4 O MET A 1 4.365 1.815 -0.899 1.00 73.41 O ATOM 5 CB MET A 1 2.377 -0.298 -2.736 1.00 74.13 C ATOM 6 CG MET A 1 2.103 -1.673 -3.325 1.00 40.41 C ATOM 7 SD MET A 1 3.015 -1.968 -4.852 1.00 25.31 S ATOM 8 CE MET A 1 4.325 -3.038 -4.262 1.00 3.03 C ATOM 0 H1 MET A 1 3.560 -1.335 0.002 1.00 43.22 H new ATOM 0 H2 MET A 1 3.298 0.332 0.188 1.00 43.22 H new ATOM 0 H3 MET A 1 2.055 -0.661 -0.405 1.00 43.22 H new ATOM 0 HA MET A 1 4.246 -1.076 -2.014 1.00 53.32 H new ATOM 0 HB2 MET A 1 1.482 0.054 -2.223 1.00 74.13 H new ATOM 0 HB3 MET A 1 2.576 0.403 -3.547 1.00 74.13 H new ATOM 0 HG2 MET A 1 2.369 -2.437 -2.594 1.00 40.41 H new ATOM 0 HG3 MET A 1 1.035 -1.775 -3.519 1.00 40.41 H new ATOM 0 HE1 MET A 1 4.823 -3.506 -5.111 1.00 3.03 H new ATOM 0 HE2 MET A 1 5.048 -2.450 -3.696 1.00 3.03 H new ATOM 0 HE3 MET A 1 3.902 -3.810 -3.619 1.00 3.03 H new ATOM 18 N ALA A 2 4.838 1.331 -3.045 1.00 13.13 N ATOM 19 CA ALA A 2 5.569 2.570 -3.277 1.00 41.32 C ATOM 20 C ALA A 2 4.664 3.636 -3.885 1.00 14.43 C ATOM 21 O ALA A 2 3.747 3.326 -4.647 1.00 41.40 O ATOM 22 CB ALA A 2 6.766 2.315 -4.181 1.00 25.15 C ATOM 0 H ALA A 2 4.788 0.712 -3.854 1.00 13.13 H new ATOM 0 HA ALA A 2 5.925 2.938 -2.315 1.00 41.32 H new ATOM 0 HB1 ALA A 2 7.303 3.249 -4.346 1.00 25.15 H new ATOM 0 HB2 ALA A 2 7.431 1.593 -3.708 1.00 25.15 H new ATOM 0 HB3 ALA A 2 6.422 1.920 -5.137 1.00 25.15 H new ATOM 28 N LEU A 3 4.925 4.893 -3.542 1.00 61.02 N ATOM 29 CA LEU A 3 4.133 6.006 -4.054 1.00 11.14 C ATOM 30 C LEU A 3 4.926 6.814 -5.076 1.00 14.31 C ATOM 31 O LEU A 3 5.886 7.509 -4.744 1.00 41.43 O ATOM 32 CB LEU A 3 3.688 6.912 -2.904 1.00 45.11 C ATOM 33 CG LEU A 3 2.179 7.063 -2.714 1.00 12.42 C ATOM 34 CD1 LEU A 3 1.878 7.978 -1.536 1.00 62.24 C ATOM 35 CD2 LEU A 3 1.532 7.596 -3.984 1.00 10.20 C ATOM 0 H LEU A 3 5.679 5.167 -2.912 1.00 61.02 H new ATOM 0 HA LEU A 3 3.252 5.596 -4.548 1.00 11.14 H new ATOM 0 HB2 LEU A 3 4.114 6.526 -1.978 1.00 45.11 H new ATOM 0 HB3 LEU A 3 4.115 7.902 -3.062 1.00 45.11 H new ATOM 0 HG LEU A 3 1.759 6.080 -2.501 1.00 12.42 H new ATOM 0 HD11 LEU A 3 0.799 8.074 -1.416 1.00 62.24 H new ATOM 0 HD12 LEU A 3 2.308 7.555 -0.628 1.00 62.24 H new ATOM 0 HD13 LEU A 3 2.311 8.961 -1.719 1.00 62.24 H new ATOM 0 HD21 LEU A 3 0.458 7.697 -3.830 1.00 10.20 H new ATOM 0 HD22 LEU A 3 1.957 8.570 -4.228 1.00 10.20 H new ATOM 0 HD23 LEU A 3 1.717 6.903 -4.805 1.00 10.20 H new ATOM 47 N PRO A 4 4.514 6.724 -6.349 1.00 44.14 N ATOM 48 CA PRO A 4 5.171 7.442 -7.446 1.00 14.41 C ATOM 49 C PRO A 4 4.937 8.948 -7.374 1.00 65.44 C ATOM 50 O PRO A 4 3.967 9.407 -6.772 1.00 34.40 O ATOM 51 CB PRO A 4 4.511 6.858 -8.698 1.00 22.14 C ATOM 52 CG PRO A 4 3.180 6.376 -8.234 1.00 72.14 C ATOM 53 CD PRO A 4 3.377 5.914 -6.817 1.00 13.41 C ATOM 0 HA PRO A 4 6.254 7.320 -7.422 1.00 14.41 H new ATOM 0 HB2 PRO A 4 4.409 7.611 -9.480 1.00 22.14 H new ATOM 0 HB3 PRO A 4 5.104 6.044 -9.115 1.00 22.14 H new ATOM 0 HG2 PRO A 4 2.437 7.172 -8.285 1.00 72.14 H new ATOM 0 HG3 PRO A 4 2.819 5.562 -8.863 1.00 72.14 H new ATOM 0 HD2 PRO A 4 2.487 6.084 -6.212 1.00 13.41 H new ATOM 0 HD3 PRO A 4 3.597 4.847 -6.769 1.00 13.41 H new ATOM 61 N ILE A 5 5.833 9.710 -7.993 1.00 13.33 N ATOM 62 CA ILE A 5 5.723 11.164 -8.000 1.00 35.31 C ATOM 63 C ILE A 5 6.334 11.755 -9.265 1.00 42.14 C ATOM 64 O ILE A 5 7.408 11.338 -9.701 1.00 54.13 O ATOM 65 CB ILE A 5 6.411 11.787 -6.771 1.00 32.50 C ATOM 66 CG1 ILE A 5 5.832 11.199 -5.482 1.00 60.54 C ATOM 67 CG2 ILE A 5 6.254 13.300 -6.786 1.00 70.33 C ATOM 68 CD1 ILE A 5 6.395 11.825 -4.226 1.00 42.11 C ATOM 0 H ILE A 5 6.642 9.345 -8.496 1.00 13.33 H new ATOM 0 HA ILE A 5 4.659 11.400 -7.969 1.00 35.31 H new ATOM 0 HB ILE A 5 7.474 11.551 -6.810 1.00 32.50 H new ATOM 0 HG12 ILE A 5 4.750 11.327 -5.488 1.00 60.54 H new ATOM 0 HG13 ILE A 5 6.026 10.127 -5.462 1.00 60.54 H new ATOM 0 HG21 ILE A 5 6.746 13.725 -5.911 1.00 70.33 H new ATOM 0 HG22 ILE A 5 6.709 13.704 -7.690 1.00 70.33 H new ATOM 0 HG23 ILE A 5 5.195 13.556 -6.767 1.00 70.33 H new ATOM 0 HD11 ILE A 5 5.940 11.360 -3.352 1.00 42.11 H new ATOM 0 HD12 ILE A 5 7.474 11.674 -4.197 1.00 42.11 H new ATOM 0 HD13 ILE A 5 6.178 12.893 -4.223 1.00 42.11 H new ATOM 80 N ILE A 6 5.645 12.730 -9.849 1.00 61.43 N ATOM 81 CA ILE A 6 6.122 13.381 -11.063 1.00 62.41 C ATOM 82 C ILE A 6 6.887 14.659 -10.737 1.00 60.10 C ATOM 83 O ILE A 6 6.505 15.413 -9.842 1.00 74.02 O ATOM 84 CB ILE A 6 4.959 13.720 -12.014 1.00 64.22 C ATOM 85 CG1 ILE A 6 4.477 12.459 -12.736 1.00 5.55 C ATOM 86 CG2 ILE A 6 5.388 14.780 -13.018 1.00 21.22 C ATOM 87 CD1 ILE A 6 2.971 12.355 -12.827 1.00 63.55 C ATOM 0 H ILE A 6 4.755 13.086 -9.501 1.00 61.43 H new ATOM 0 HA ILE A 6 6.791 12.676 -11.557 1.00 62.41 H new ATOM 0 HB ILE A 6 4.132 14.118 -11.426 1.00 64.22 H new ATOM 0 HG12 ILE A 6 4.896 12.443 -13.742 1.00 5.55 H new ATOM 0 HG13 ILE A 6 4.863 11.582 -12.216 1.00 5.55 H new ATOM 0 HG21 ILE A 6 4.556 15.009 -13.683 1.00 21.22 H new ATOM 0 HG22 ILE A 6 5.688 15.684 -12.487 1.00 21.22 H new ATOM 0 HG23 ILE A 6 6.228 14.408 -13.604 1.00 21.22 H new ATOM 0 HD11 ILE A 6 2.701 11.438 -13.350 1.00 63.55 H new ATOM 0 HD12 ILE A 6 2.546 12.339 -11.823 1.00 63.55 H new ATOM 0 HD13 ILE A 6 2.579 13.213 -13.373 1.00 63.55 H new ATOM 99 N VAL A 7 7.970 14.898 -11.471 1.00 35.14 N ATOM 100 CA VAL A 7 8.787 16.087 -11.262 1.00 23.20 C ATOM 101 C VAL A 7 8.980 16.857 -12.564 1.00 32.33 C ATOM 102 O VAL A 7 9.477 16.315 -13.551 1.00 23.10 O ATOM 103 CB VAL A 7 10.168 15.724 -10.684 1.00 20.01 C ATOM 104 CG1 VAL A 7 10.906 14.776 -11.617 1.00 53.34 C ATOM 105 CG2 VAL A 7 10.986 16.981 -10.431 1.00 45.13 C ATOM 0 H VAL A 7 8.301 14.284 -12.215 1.00 35.14 H new ATOM 0 HA VAL A 7 8.255 16.715 -10.547 1.00 23.20 H new ATOM 0 HB VAL A 7 10.021 15.215 -9.731 1.00 20.01 H new ATOM 0 HG11 VAL A 7 11.879 14.531 -11.192 1.00 53.34 H new ATOM 0 HG12 VAL A 7 10.324 13.863 -11.742 1.00 53.34 H new ATOM 0 HG13 VAL A 7 11.044 15.254 -12.587 1.00 53.34 H new ATOM 0 HG21 VAL A 7 11.959 16.706 -10.023 1.00 45.13 H new ATOM 0 HG22 VAL A 7 11.125 17.519 -11.368 1.00 45.13 H new ATOM 0 HG23 VAL A 7 10.461 17.620 -9.720 1.00 45.13 H new ATOM 115 N LYS A 8 8.583 18.125 -12.559 1.00 31.32 N ATOM 116 CA LYS A 8 8.713 18.972 -13.738 1.00 53.13 C ATOM 117 C LYS A 8 9.832 19.992 -13.555 1.00 61.20 C ATOM 118 O LYS A 8 9.805 20.797 -12.624 1.00 32.52 O ATOM 119 CB LYS A 8 7.393 19.693 -14.021 1.00 52.13 C ATOM 120 CG LYS A 8 6.948 20.611 -12.896 1.00 34.10 C ATOM 121 CD LYS A 8 5.433 20.692 -12.809 1.00 32.13 C ATOM 122 CE LYS A 8 4.861 21.611 -13.878 1.00 23.43 C ATOM 123 NZ LYS A 8 4.477 22.937 -13.321 1.00 40.42 N ATOM 0 H LYS A 8 8.168 18.589 -11.751 1.00 31.32 H new ATOM 0 HA LYS A 8 8.962 18.335 -14.587 1.00 53.13 H new ATOM 0 HB2 LYS A 8 7.496 20.277 -14.936 1.00 52.13 H new ATOM 0 HB3 LYS A 8 6.615 18.951 -14.203 1.00 52.13 H new ATOM 0 HG2 LYS A 8 7.349 20.249 -11.949 1.00 34.10 H new ATOM 0 HG3 LYS A 8 7.358 21.608 -13.055 1.00 34.10 H new ATOM 0 HD2 LYS A 8 5.007 19.695 -12.920 1.00 32.13 H new ATOM 0 HD3 LYS A 8 5.143 21.055 -11.823 1.00 32.13 H new ATOM 0 HE2 LYS A 8 5.597 21.749 -14.670 1.00 23.43 H new ATOM 0 HE3 LYS A 8 3.988 21.141 -14.332 1.00 23.43 H new ATOM 0 HZ1 LYS A 8 4.092 23.534 -14.080 1.00 40.42 H new ATOM 0 HZ2 LYS A 8 3.756 22.808 -12.583 1.00 40.42 H new ATOM 0 HZ3 LYS A 8 5.315 23.397 -12.910 1.00 40.42 H new ATOM 137 N TRP A 9 10.813 19.953 -14.449 1.00 24.10 N ATOM 138 CA TRP A 9 11.942 20.875 -14.386 1.00 15.31 C ATOM 139 C TRP A 9 12.048 21.693 -15.668 1.00 41.41 C ATOM 140 O TRP A 9 12.551 21.212 -16.683 1.00 14.14 O ATOM 141 CB TRP A 9 13.242 20.107 -14.147 1.00 23.02 C ATOM 142 CG TRP A 9 14.468 20.879 -14.532 1.00 13.20 C ATOM 143 CD1 TRP A 9 15.448 20.483 -15.396 1.00 23.11 C ATOM 144 CD2 TRP A 9 14.843 22.179 -14.065 1.00 3.44 C ATOM 145 NE1 TRP A 9 16.411 21.459 -15.494 1.00 20.52 N ATOM 146 CE2 TRP A 9 16.063 22.510 -14.688 1.00 32.34 C ATOM 147 CE3 TRP A 9 14.267 23.097 -13.182 1.00 44.44 C ATOM 148 CZ2 TRP A 9 16.714 23.718 -14.454 1.00 63.20 C ATOM 149 CZ3 TRP A 9 14.916 24.296 -12.951 1.00 75.24 C ATOM 150 CH2 TRP A 9 16.128 24.598 -13.586 1.00 20.15 C ATOM 0 H TRP A 9 10.850 19.293 -15.226 1.00 24.10 H new ATOM 0 HA TRP A 9 11.775 21.559 -13.554 1.00 15.31 H new ATOM 0 HB2 TRP A 9 13.308 19.837 -13.093 1.00 23.02 H new ATOM 0 HB3 TRP A 9 13.215 19.176 -14.713 1.00 23.02 H new ATOM 0 HD1 TRP A 9 15.464 19.541 -15.925 1.00 23.11 H new ATOM 0 HE1 TRP A 9 17.249 21.409 -16.073 1.00 20.52 H new ATOM 0 HE3 TRP A 9 13.332 22.874 -12.689 1.00 44.44 H new ATOM 0 HZ2 TRP A 9 17.649 23.952 -14.941 1.00 63.20 H new ATOM 0 HZ3 TRP A 9 14.481 25.012 -12.269 1.00 75.24 H new ATOM 0 HH2 TRP A 9 16.609 25.544 -13.386 1.00 20.15 H new ATOM 161 N GLY A 10 11.572 22.934 -15.615 1.00 71.23 N ATOM 162 CA GLY A 10 11.624 23.798 -16.780 1.00 13.54 C ATOM 163 C GLY A 10 10.341 23.761 -17.587 1.00 4.20 C ATOM 164 O GLY A 10 9.473 24.618 -17.426 1.00 63.04 O ATOM 0 H GLY A 10 11.152 23.356 -14.787 1.00 71.23 H new ATOM 0 HA2 GLY A 10 11.819 24.822 -16.461 1.00 13.54 H new ATOM 0 HA3 GLY A 10 12.458 23.497 -17.415 1.00 13.54 H new ATOM 168 N GLY A 11 10.222 22.765 -18.460 1.00 41.41 N ATOM 169 CA GLY A 11 9.034 22.640 -19.284 1.00 61.31 C ATOM 170 C GLY A 11 8.719 21.198 -19.630 1.00 54.13 C ATOM 171 O GLY A 11 8.007 20.927 -20.597 1.00 42.43 O ATOM 0 H GLY A 11 10.927 22.043 -18.611 1.00 41.41 H new ATOM 0 HA2 GLY A 11 8.185 23.079 -18.761 1.00 61.31 H new ATOM 0 HA3 GLY A 11 9.171 23.210 -20.203 1.00 61.31 H new ATOM 175 N GLN A 12 9.250 20.271 -18.840 1.00 2.32 N ATOM 176 CA GLN A 12 9.023 18.850 -19.070 1.00 73.51 C ATOM 177 C GLN A 12 8.531 18.164 -17.800 1.00 14.24 C ATOM 178 O GLN A 12 8.473 18.778 -16.735 1.00 3.31 O ATOM 179 CB GLN A 12 10.307 18.179 -19.561 1.00 31.12 C ATOM 180 CG GLN A 12 10.670 18.534 -20.994 1.00 12.54 C ATOM 181 CD GLN A 12 10.716 17.322 -21.902 1.00 71.21 C ATOM 182 OE1 GLN A 12 10.072 17.293 -22.952 1.00 3.15 O ATOM 183 NE2 GLN A 12 11.480 16.311 -21.503 1.00 55.40 N ATOM 0 H GLN A 12 9.841 20.479 -18.035 1.00 2.32 H new ATOM 0 HA GLN A 12 8.254 18.751 -19.836 1.00 73.51 H new ATOM 0 HB2 GLN A 12 11.130 18.464 -18.905 1.00 31.12 H new ATOM 0 HB3 GLN A 12 10.196 17.098 -19.481 1.00 31.12 H new ATOM 0 HG2 GLN A 12 9.943 19.247 -21.383 1.00 12.54 H new ATOM 0 HG3 GLN A 12 11.641 19.030 -21.007 1.00 12.54 H new ATOM 0 HE21 GLN A 12 11.997 16.377 -20.626 1.00 55.40 H new ATOM 0 HE22 GLN A 12 11.550 15.469 -22.074 1.00 55.40 H new ATOM 192 N GLU A 13 8.176 16.889 -17.920 1.00 63.44 N ATOM 193 CA GLU A 13 7.688 16.121 -16.781 1.00 12.02 C ATOM 194 C GLU A 13 8.378 14.762 -16.704 1.00 3.32 C ATOM 195 O GLU A 13 8.616 14.116 -17.724 1.00 61.05 O ATOM 196 CB GLU A 13 6.173 15.931 -16.878 1.00 33.34 C ATOM 197 CG GLU A 13 5.389 17.229 -16.783 1.00 32.24 C ATOM 198 CD GLU A 13 3.892 17.016 -16.893 1.00 74.25 C ATOM 199 OE1 GLU A 13 3.480 15.919 -17.326 1.00 74.01 O ATOM 200 OE2 GLU A 13 3.132 17.945 -16.548 1.00 63.11 O ATOM 0 H GLU A 13 8.217 16.366 -18.795 1.00 63.44 H new ATOM 0 HA GLU A 13 7.920 16.678 -15.874 1.00 12.02 H new ATOM 0 HB2 GLU A 13 5.937 15.442 -17.823 1.00 33.34 H new ATOM 0 HB3 GLU A 13 5.848 15.261 -16.082 1.00 33.34 H new ATOM 0 HG2 GLU A 13 5.614 17.716 -15.834 1.00 32.24 H new ATOM 0 HG3 GLU A 13 5.715 17.905 -17.574 1.00 32.24 H new ATOM 207 N TYR A 14 8.698 14.336 -15.487 1.00 52.11 N ATOM 208 CA TYR A 14 9.364 13.056 -15.276 1.00 13.21 C ATOM 209 C TYR A 14 8.731 12.298 -14.113 1.00 74.02 C ATOM 210 O TYR A 14 8.771 12.748 -12.968 1.00 54.54 O ATOM 211 CB TYR A 14 10.854 13.271 -15.008 1.00 2.00 C ATOM 212 CG TYR A 14 11.580 13.961 -16.141 1.00 32.00 C ATOM 213 CD1 TYR A 14 11.425 15.324 -16.363 1.00 4.03 C ATOM 214 CD2 TYR A 14 12.419 13.250 -16.990 1.00 52.21 C ATOM 215 CE1 TYR A 14 12.086 15.959 -17.397 1.00 73.30 C ATOM 216 CE2 TYR A 14 13.084 13.877 -18.026 1.00 22.21 C ATOM 217 CZ TYR A 14 12.914 15.231 -18.225 1.00 63.04 C ATOM 218 OH TYR A 14 13.574 15.859 -19.257 1.00 23.40 O ATOM 0 H TYR A 14 8.507 14.858 -14.632 1.00 52.11 H new ATOM 0 HA TYR A 14 9.247 12.460 -16.181 1.00 13.21 H new ATOM 0 HB2 TYR A 14 10.969 13.863 -14.100 1.00 2.00 H new ATOM 0 HB3 TYR A 14 11.324 12.305 -14.821 1.00 2.00 H new ATOM 0 HD1 TYR A 14 10.777 15.897 -15.716 1.00 4.03 H new ATOM 0 HD2 TYR A 14 12.554 12.189 -16.838 1.00 52.21 H new ATOM 0 HE1 TYR A 14 11.955 17.019 -17.556 1.00 73.30 H new ATOM 0 HE2 TYR A 14 13.733 13.310 -18.676 1.00 22.21 H new ATOM 0 HH TYR A 14 14.117 15.205 -19.744 1.00 23.40 H new ATOM 228 N SER A 15 8.147 11.143 -14.416 1.00 53.04 N ATOM 229 CA SER A 15 7.502 10.322 -13.398 1.00 53.14 C ATOM 230 C SER A 15 8.527 9.465 -12.662 1.00 72.11 C ATOM 231 O SER A 15 9.368 8.813 -13.281 1.00 74.14 O ATOM 232 CB SER A 15 6.435 9.428 -14.034 1.00 41.41 C ATOM 233 OG SER A 15 7.020 8.291 -14.645 1.00 3.24 O ATOM 0 H SER A 15 8.107 10.755 -15.358 1.00 53.04 H new ATOM 0 HA SER A 15 7.026 10.987 -12.678 1.00 53.14 H new ATOM 0 HB2 SER A 15 5.722 9.110 -13.273 1.00 41.41 H new ATOM 0 HB3 SER A 15 5.875 9.996 -14.777 1.00 41.41 H new ATOM 0 HG SER A 15 6.317 7.735 -15.042 1.00 3.24 H new ATOM 239 N VAL A 16 8.450 9.471 -11.335 1.00 43.20 N ATOM 240 CA VAL A 16 9.370 8.694 -10.513 1.00 12.14 C ATOM 241 C VAL A 16 8.774 7.337 -10.154 1.00 41.32 C ATOM 242 O VAL A 16 7.597 7.235 -9.806 1.00 42.22 O ATOM 243 CB VAL A 16 9.732 9.442 -9.216 1.00 1.12 C ATOM 244 CG1 VAL A 16 10.614 8.577 -8.328 1.00 74.44 C ATOM 245 CG2 VAL A 16 10.417 10.762 -9.536 1.00 54.32 C ATOM 0 H VAL A 16 7.760 10.005 -10.806 1.00 43.20 H new ATOM 0 HA VAL A 16 10.274 8.546 -11.103 1.00 12.14 H new ATOM 0 HB VAL A 16 8.812 9.658 -8.673 1.00 1.12 H new ATOM 0 HG11 VAL A 16 10.859 9.123 -7.417 1.00 74.44 H new ATOM 0 HG12 VAL A 16 10.083 7.660 -8.071 1.00 74.44 H new ATOM 0 HG13 VAL A 16 11.532 8.328 -8.860 1.00 74.44 H new ATOM 0 HG21 VAL A 16 10.666 11.277 -8.608 1.00 54.32 H new ATOM 0 HG22 VAL A 16 11.329 10.571 -10.101 1.00 54.32 H new ATOM 0 HG23 VAL A 16 9.747 11.385 -10.129 1.00 54.32 H new ATOM 255 N THR A 17 9.595 6.295 -10.241 1.00 51.00 N ATOM 256 CA THR A 17 9.150 4.943 -9.927 1.00 13.43 C ATOM 257 C THR A 17 10.278 4.122 -9.314 1.00 33.44 C ATOM 258 O THR A 17 11.079 3.517 -10.027 1.00 74.42 O ATOM 259 CB THR A 17 8.625 4.219 -11.181 1.00 20.23 C ATOM 260 OG1 THR A 17 9.496 4.466 -12.290 1.00 2.21 O ATOM 261 CG2 THR A 17 7.216 4.680 -11.523 1.00 5.52 C ATOM 0 H THR A 17 10.572 6.362 -10.526 1.00 51.00 H new ATOM 0 HA THR A 17 8.339 5.037 -9.205 1.00 13.43 H new ATOM 0 HB THR A 17 8.599 3.150 -10.971 1.00 20.23 H new ATOM 0 HG1 THR A 17 10.419 4.262 -12.033 1.00 2.21 H new ATOM 0 HG21 THR A 17 6.867 4.155 -12.412 1.00 5.52 H new ATOM 0 HG22 THR A 17 6.550 4.463 -10.688 1.00 5.52 H new ATOM 0 HG23 THR A 17 7.221 5.753 -11.714 1.00 5.52 H new ATOM 269 N THR A 18 10.336 4.103 -7.985 1.00 72.35 N ATOM 270 CA THR A 18 11.366 3.355 -7.276 1.00 43.20 C ATOM 271 C THR A 18 11.321 3.641 -5.779 1.00 75.43 C ATOM 272 O THR A 18 11.701 2.799 -4.964 1.00 43.14 O ATOM 273 CB THR A 18 12.772 3.692 -7.809 1.00 11.24 C ATOM 274 OG1 THR A 18 13.767 3.249 -6.879 1.00 41.23 O ATOM 275 CG2 THR A 18 12.918 5.188 -8.041 1.00 41.42 C ATOM 0 H THR A 18 9.681 4.597 -7.379 1.00 72.35 H new ATOM 0 HA THR A 18 11.164 2.298 -7.448 1.00 43.20 H new ATOM 0 HB THR A 18 12.909 3.178 -8.760 1.00 11.24 H new ATOM 0 HG1 THR A 18 14.658 3.465 -7.225 1.00 41.23 H new ATOM 0 HG21 THR A 18 13.918 5.402 -8.417 1.00 41.42 H new ATOM 0 HG22 THR A 18 12.178 5.517 -8.771 1.00 41.42 H new ATOM 0 HG23 THR A 18 12.762 5.719 -7.102 1.00 41.42 H new ATOM 283 N LEU A 19 10.852 4.831 -5.423 1.00 51.51 N ATOM 284 CA LEU A 19 10.755 5.228 -4.022 1.00 64.05 C ATOM 285 C LEU A 19 9.424 4.787 -3.422 1.00 65.41 C ATOM 286 O LEU A 19 8.418 4.687 -4.124 1.00 1.22 O ATOM 287 CB LEU A 19 10.910 6.744 -3.889 1.00 63.03 C ATOM 288 CG LEU A 19 12.260 7.237 -3.367 1.00 41.53 C ATOM 289 CD1 LEU A 19 12.435 6.864 -1.903 1.00 41.34 C ATOM 290 CD2 LEU A 19 13.396 6.668 -4.204 1.00 62.22 C ATOM 0 H LEU A 19 10.533 5.539 -6.085 1.00 51.51 H new ATOM 0 HA LEU A 19 11.560 4.737 -3.474 1.00 64.05 H new ATOM 0 HB2 LEU A 19 10.734 7.194 -4.866 1.00 63.03 H new ATOM 0 HB3 LEU A 19 10.129 7.112 -3.223 1.00 63.03 H new ATOM 0 HG LEU A 19 12.284 8.324 -3.449 1.00 41.53 H new ATOM 0 HD11 LEU A 19 13.401 7.223 -1.549 1.00 41.34 H new ATOM 0 HD12 LEU A 19 11.640 7.321 -1.314 1.00 41.34 H new ATOM 0 HD13 LEU A 19 12.389 5.780 -1.796 1.00 41.34 H new ATOM 0 HD21 LEU A 19 14.349 7.030 -3.818 1.00 62.22 H new ATOM 0 HD22 LEU A 19 13.374 5.579 -4.155 1.00 62.22 H new ATOM 0 HD23 LEU A 19 13.280 6.987 -5.240 1.00 62.22 H new ATOM 302 N SER A 20 9.427 4.525 -2.119 1.00 13.22 N ATOM 303 CA SER A 20 8.220 4.093 -1.424 1.00 12.02 C ATOM 304 C SER A 20 8.009 4.901 -0.147 1.00 44.20 C ATOM 305 O SER A 20 8.916 5.589 0.320 1.00 10.45 O ATOM 306 CB SER A 20 8.304 2.603 -1.089 1.00 65.54 C ATOM 307 OG SER A 20 9.616 2.107 -1.295 1.00 42.41 O ATOM 0 H SER A 20 10.251 4.604 -1.524 1.00 13.22 H new ATOM 0 HA SER A 20 7.370 4.262 -2.085 1.00 12.02 H new ATOM 0 HB2 SER A 20 8.010 2.443 -0.052 1.00 65.54 H new ATOM 0 HB3 SER A 20 7.600 2.047 -1.709 1.00 65.54 H new ATOM 0 HG SER A 20 10.255 2.652 -0.790 1.00 42.41 H new ATOM 313 N GLU A 21 6.806 4.811 0.411 1.00 2.42 N ATOM 314 CA GLU A 21 6.476 5.535 1.633 1.00 30.14 C ATOM 315 C GLU A 21 7.430 5.158 2.763 1.00 2.41 C ATOM 316 O GLU A 21 7.580 5.898 3.736 1.00 71.01 O ATOM 317 CB GLU A 21 5.033 5.243 2.051 1.00 2.02 C ATOM 318 CG GLU A 21 4.570 3.839 1.701 1.00 63.11 C ATOM 319 CD GLU A 21 5.570 2.775 2.111 1.00 3.53 C ATOM 320 OE1 GLU A 21 5.793 2.607 3.328 1.00 13.54 O ATOM 321 OE2 GLU A 21 6.130 2.111 1.214 1.00 4.03 O ATOM 0 H GLU A 21 6.045 4.245 0.037 1.00 2.42 H new ATOM 0 HA GLU A 21 6.580 6.601 1.433 1.00 30.14 H new ATOM 0 HB2 GLU A 21 4.939 5.390 3.127 1.00 2.02 H new ATOM 0 HB3 GLU A 21 4.372 5.965 1.571 1.00 2.02 H new ATOM 0 HG2 GLU A 21 3.616 3.643 2.190 1.00 63.11 H new ATOM 0 HG3 GLU A 21 4.397 3.775 0.627 1.00 63.11 H new ATOM 328 N ASP A 22 8.072 4.004 2.627 1.00 65.42 N ATOM 329 CA ASP A 22 9.013 3.528 3.635 1.00 52.01 C ATOM 330 C ASP A 22 10.268 4.394 3.658 1.00 4.14 C ATOM 331 O ASP A 22 11.084 4.297 4.575 1.00 25.11 O ATOM 332 CB ASP A 22 9.389 2.070 3.365 1.00 52.21 C ATOM 333 CG ASP A 22 9.211 1.191 4.587 1.00 73.42 C ATOM 334 OD1 ASP A 22 10.146 1.125 5.412 1.00 53.43 O ATOM 335 OD2 ASP A 22 8.137 0.567 4.718 1.00 74.44 O ATOM 0 H ASP A 22 7.958 3.380 1.828 1.00 65.42 H new ATOM 0 HA ASP A 22 8.529 3.595 4.609 1.00 52.01 H new ATOM 0 HB2 ASP A 22 8.775 1.684 2.551 1.00 52.21 H new ATOM 0 HB3 ASP A 22 10.426 2.021 3.033 1.00 52.21 H new ATOM 340 N ASP A 23 10.417 5.240 2.645 1.00 73.55 N ATOM 341 CA ASP A 23 11.573 6.123 2.549 1.00 51.14 C ATOM 342 C ASP A 23 11.215 7.536 2.998 1.00 45.53 C ATOM 343 O ASP A 23 10.360 7.728 3.863 1.00 61.41 O ATOM 344 CB ASP A 23 12.104 6.149 1.115 1.00 50.25 C ATOM 345 CG ASP A 23 12.177 4.766 0.499 1.00 71.22 C ATOM 346 OD1 ASP A 23 11.112 4.216 0.148 1.00 1.01 O ATOM 347 OD2 ASP A 23 13.299 4.232 0.368 1.00 12.35 O ATOM 0 H ASP A 23 9.751 5.333 1.878 1.00 73.55 H new ATOM 0 HA ASP A 23 12.350 5.737 3.209 1.00 51.14 H new ATOM 0 HB2 ASP A 23 11.461 6.782 0.504 1.00 50.25 H new ATOM 0 HB3 ASP A 23 13.096 6.600 1.106 1.00 50.25 H new ATOM 352 N THR A 24 11.877 8.526 2.405 1.00 70.43 N ATOM 353 CA THR A 24 11.631 9.921 2.745 1.00 42.21 C ATOM 354 C THR A 24 11.503 10.779 1.491 1.00 64.51 C ATOM 355 O THR A 24 11.831 10.338 0.389 1.00 31.42 O ATOM 356 CB THR A 24 12.756 10.490 3.630 1.00 43.44 C ATOM 357 OG1 THR A 24 13.926 9.671 3.522 1.00 11.32 O ATOM 358 CG2 THR A 24 12.316 10.566 5.084 1.00 74.23 C ATOM 0 H THR A 24 12.588 8.386 1.687 1.00 70.43 H new ATOM 0 HA THR A 24 10.693 9.950 3.299 1.00 42.21 H new ATOM 0 HB THR A 24 12.985 11.498 3.284 1.00 43.44 H new ATOM 0 HG1 THR A 24 14.637 10.040 4.086 1.00 11.32 H new ATOM 0 HG21 THR A 24 13.127 10.971 5.689 1.00 74.23 H new ATOM 0 HG22 THR A 24 11.443 11.214 5.167 1.00 74.23 H new ATOM 0 HG23 THR A 24 12.061 9.568 5.440 1.00 74.23 H new ATOM 366 N VAL A 25 11.026 12.007 1.665 1.00 34.34 N ATOM 367 CA VAL A 25 10.856 12.927 0.547 1.00 3.13 C ATOM 368 C VAL A 25 12.197 13.264 -0.095 1.00 61.54 C ATOM 369 O VAL A 25 12.324 13.281 -1.321 1.00 11.25 O ATOM 370 CB VAL A 25 10.171 14.232 0.994 1.00 44.43 C ATOM 371 CG1 VAL A 25 9.776 15.068 -0.214 1.00 44.50 C ATOM 372 CG2 VAL A 25 8.959 13.928 1.861 1.00 4.12 C ATOM 0 H VAL A 25 10.750 12.388 2.570 1.00 34.34 H new ATOM 0 HA VAL A 25 10.222 12.425 -0.184 1.00 3.13 H new ATOM 0 HB VAL A 25 10.879 14.808 1.589 1.00 44.43 H new ATOM 0 HG11 VAL A 25 9.293 15.986 0.121 1.00 44.50 H new ATOM 0 HG12 VAL A 25 10.666 15.316 -0.792 1.00 44.50 H new ATOM 0 HG13 VAL A 25 9.085 14.502 -0.838 1.00 44.50 H new ATOM 0 HG21 VAL A 25 8.488 14.862 2.168 1.00 4.12 H new ATOM 0 HG22 VAL A 25 8.246 13.331 1.293 1.00 4.12 H new ATOM 0 HG23 VAL A 25 9.274 13.373 2.745 1.00 4.12 H new ATOM 382 N LEU A 26 13.196 13.530 0.739 1.00 63.35 N ATOM 383 CA LEU A 26 14.530 13.865 0.252 1.00 0.51 C ATOM 384 C LEU A 26 15.108 12.727 -0.583 1.00 13.20 C ATOM 385 O LEU A 26 15.918 12.953 -1.482 1.00 25.25 O ATOM 386 CB LEU A 26 15.460 14.174 1.427 1.00 40.22 C ATOM 387 CG LEU A 26 16.355 13.026 1.894 1.00 30.12 C ATOM 388 CD1 LEU A 26 17.660 13.015 1.114 1.00 24.01 C ATOM 389 CD2 LEU A 26 16.625 13.134 3.388 1.00 51.12 C ATOM 0 H LEU A 26 13.108 13.520 1.755 1.00 63.35 H new ATOM 0 HA LEU A 26 14.447 14.749 -0.381 1.00 0.51 H new ATOM 0 HB2 LEU A 26 16.096 15.014 1.150 1.00 40.22 H new ATOM 0 HB3 LEU A 26 14.851 14.500 2.270 1.00 40.22 H new ATOM 0 HG LEU A 26 15.836 12.086 1.706 1.00 30.12 H new ATOM 0 HD11 LEU A 26 18.284 12.191 1.460 1.00 24.01 H new ATOM 0 HD12 LEU A 26 17.448 12.888 0.052 1.00 24.01 H new ATOM 0 HD13 LEU A 26 18.185 13.958 1.269 1.00 24.01 H new ATOM 0 HD21 LEU A 26 17.264 12.309 3.703 1.00 51.12 H new ATOM 0 HD22 LEU A 26 17.123 14.080 3.600 1.00 51.12 H new ATOM 0 HD23 LEU A 26 15.682 13.091 3.932 1.00 51.12 H new ATOM 401 N ASP A 27 14.683 11.505 -0.282 1.00 3.04 N ATOM 402 CA ASP A 27 15.156 10.331 -1.007 1.00 14.24 C ATOM 403 C ASP A 27 14.595 10.306 -2.425 1.00 52.51 C ATOM 404 O ASP A 27 15.269 9.878 -3.363 1.00 54.32 O ATOM 405 CB ASP A 27 14.758 9.054 -0.266 1.00 24.45 C ATOM 406 CG ASP A 27 15.751 7.928 -0.479 1.00 4.13 C ATOM 407 OD1 ASP A 27 16.713 8.123 -1.251 1.00 41.25 O ATOM 408 OD2 ASP A 27 15.567 6.852 0.128 1.00 44.32 O ATOM 0 H ASP A 27 14.012 11.301 0.459 1.00 3.04 H new ATOM 0 HA ASP A 27 16.243 10.384 -1.066 1.00 14.24 H new ATOM 0 HB2 ASP A 27 14.677 9.266 0.800 1.00 24.45 H new ATOM 0 HB3 ASP A 27 13.772 8.734 -0.603 1.00 24.45 H new ATOM 413 N LEU A 28 13.358 10.767 -2.575 1.00 12.13 N ATOM 414 CA LEU A 28 12.705 10.797 -3.879 1.00 1.10 C ATOM 415 C LEU A 28 13.164 12.005 -4.690 1.00 32.03 C ATOM 416 O LEU A 28 13.518 11.881 -5.862 1.00 41.34 O ATOM 417 CB LEU A 28 11.185 10.829 -3.710 1.00 1.40 C ATOM 418 CG LEU A 28 10.366 10.371 -4.917 1.00 33.12 C ATOM 419 CD1 LEU A 28 9.260 9.422 -4.482 1.00 22.53 C ATOM 420 CD2 LEU A 28 9.783 11.569 -5.652 1.00 45.14 C ATOM 0 H LEU A 28 12.787 11.125 -1.809 1.00 12.13 H new ATOM 0 HA LEU A 28 12.985 9.892 -4.419 1.00 1.10 H new ATOM 0 HB2 LEU A 28 10.921 10.202 -2.858 1.00 1.40 H new ATOM 0 HB3 LEU A 28 10.889 11.848 -3.460 1.00 1.40 H new ATOM 0 HG LEU A 28 11.028 9.838 -5.599 1.00 33.12 H new ATOM 0 HD11 LEU A 28 8.687 9.106 -5.354 1.00 22.53 H new ATOM 0 HD12 LEU A 28 9.699 8.548 -4.000 1.00 22.53 H new ATOM 0 HD13 LEU A 28 8.600 9.930 -3.779 1.00 22.53 H new ATOM 0 HD21 LEU A 28 9.203 11.224 -6.508 1.00 45.14 H new ATOM 0 HD22 LEU A 28 9.136 12.130 -4.978 1.00 45.14 H new ATOM 0 HD23 LEU A 28 10.592 12.213 -5.997 1.00 45.14 H new ATOM 432 N LYS A 29 13.157 13.173 -4.057 1.00 11.13 N ATOM 433 CA LYS A 29 13.575 14.404 -4.717 1.00 3.13 C ATOM 434 C LYS A 29 15.034 14.318 -5.155 1.00 73.32 C ATOM 435 O LYS A 29 15.347 14.486 -6.333 1.00 44.21 O ATOM 436 CB LYS A 29 13.383 15.600 -3.781 1.00 30.41 C ATOM 437 CG LYS A 29 12.081 16.348 -4.009 1.00 71.53 C ATOM 438 CD LYS A 29 10.988 15.863 -3.072 1.00 34.10 C ATOM 439 CE LYS A 29 10.133 14.786 -3.722 1.00 72.13 C ATOM 440 NZ LYS A 29 8.731 15.242 -3.933 1.00 1.31 N ATOM 0 H LYS A 29 12.866 13.293 -3.087 1.00 11.13 H new ATOM 0 HA LYS A 29 12.955 14.540 -5.603 1.00 3.13 H new ATOM 0 HB2 LYS A 29 13.416 15.252 -2.749 1.00 30.41 H new ATOM 0 HB3 LYS A 29 14.216 16.290 -3.911 1.00 30.41 H new ATOM 0 HG2 LYS A 29 12.243 17.416 -3.859 1.00 71.53 H new ATOM 0 HG3 LYS A 29 11.761 16.216 -5.042 1.00 71.53 H new ATOM 0 HD2 LYS A 29 11.437 15.471 -2.160 1.00 34.10 H new ATOM 0 HD3 LYS A 29 10.357 16.703 -2.781 1.00 34.10 H new ATOM 0 HE2 LYS A 29 10.571 14.504 -4.679 1.00 72.13 H new ATOM 0 HE3 LYS A 29 10.134 13.894 -3.095 1.00 72.13 H new ATOM 0 HZ1 LYS A 29 8.284 14.659 -4.669 1.00 1.31 H new ATOM 0 HZ2 LYS A 29 8.198 15.148 -3.045 1.00 1.31 H new ATOM 0 HZ3 LYS A 29 8.731 16.238 -4.232 1.00 1.31 H new ATOM 454 N GLN A 30 15.919 14.053 -4.200 1.00 44.01 N ATOM 455 CA GLN A 30 17.344 13.944 -4.489 1.00 63.44 C ATOM 456 C GLN A 30 17.607 12.862 -5.532 1.00 33.54 C ATOM 457 O GLN A 30 18.636 12.872 -6.207 1.00 40.10 O ATOM 458 CB GLN A 30 18.124 13.636 -3.210 1.00 31.31 C ATOM 459 CG GLN A 30 18.228 12.150 -2.904 1.00 3.43 C ATOM 460 CD GLN A 30 19.498 11.529 -3.452 1.00 1.54 C ATOM 461 OE1 GLN A 30 20.526 12.196 -3.575 1.00 52.43 O ATOM 462 NE2 GLN A 30 19.434 10.245 -3.783 1.00 41.34 N ATOM 0 H GLN A 30 15.675 13.910 -3.220 1.00 44.01 H new ATOM 0 HA GLN A 30 17.681 14.900 -4.890 1.00 63.44 H new ATOM 0 HB2 GLN A 30 19.128 14.052 -3.297 1.00 31.31 H new ATOM 0 HB3 GLN A 30 17.643 14.139 -2.371 1.00 31.31 H new ATOM 0 HG2 GLN A 30 18.192 12.002 -1.825 1.00 3.43 H new ATOM 0 HG3 GLN A 30 17.365 11.635 -3.326 1.00 3.43 H new ATOM 0 HE21 GLN A 30 18.561 9.731 -3.664 1.00 41.34 H new ATOM 0 HE22 GLN A 30 20.258 9.773 -4.156 1.00 41.34 H new ATOM 471 N PHE A 31 16.669 11.928 -5.657 1.00 22.00 N ATOM 472 CA PHE A 31 16.800 10.837 -6.616 1.00 53.52 C ATOM 473 C PHE A 31 16.486 11.317 -8.031 1.00 22.24 C ATOM 474 O PHE A 31 17.295 11.158 -8.946 1.00 30.11 O ATOM 475 CB PHE A 31 15.869 9.684 -6.239 1.00 34.55 C ATOM 476 CG PHE A 31 15.771 8.622 -7.296 1.00 73.51 C ATOM 477 CD1 PHE A 31 16.721 7.617 -7.378 1.00 22.45 C ATOM 478 CD2 PHE A 31 14.728 8.628 -8.208 1.00 71.34 C ATOM 479 CE1 PHE A 31 16.634 6.639 -8.350 1.00 73.32 C ATOM 480 CE2 PHE A 31 14.635 7.652 -9.183 1.00 40.12 C ATOM 481 CZ PHE A 31 15.589 6.656 -9.253 1.00 73.34 C ATOM 0 H PHE A 31 15.811 11.905 -5.106 1.00 22.00 H new ATOM 0 HA PHE A 31 17.831 10.485 -6.590 1.00 53.52 H new ATOM 0 HB2 PHE A 31 16.221 9.231 -5.312 1.00 34.55 H new ATOM 0 HB3 PHE A 31 14.873 10.081 -6.041 1.00 34.55 H new ATOM 0 HD1 PHE A 31 17.539 7.598 -6.674 1.00 22.45 H new ATOM 0 HD2 PHE A 31 13.979 9.404 -8.157 1.00 71.34 H new ATOM 0 HE1 PHE A 31 17.382 5.862 -8.404 1.00 73.32 H new ATOM 0 HE2 PHE A 31 13.818 7.669 -9.889 1.00 40.12 H new ATOM 0 HZ PHE A 31 15.518 5.892 -10.013 1.00 73.34 H new ATOM 491 N LEU A 32 15.307 11.903 -8.202 1.00 13.41 N ATOM 492 CA LEU A 32 14.884 12.406 -9.505 1.00 3.14 C ATOM 493 C LEU A 32 15.727 13.606 -9.924 1.00 51.25 C ATOM 494 O LEU A 32 16.141 13.715 -11.079 1.00 32.10 O ATOM 495 CB LEU A 32 13.405 12.795 -9.468 1.00 63.31 C ATOM 496 CG LEU A 32 12.980 13.708 -8.318 1.00 55.44 C ATOM 497 CD1 LEU A 32 13.015 15.165 -8.753 1.00 43.30 C ATOM 498 CD2 LEU A 32 11.591 13.331 -7.824 1.00 14.52 C ATOM 0 H LEU A 32 14.626 12.042 -7.455 1.00 13.41 H new ATOM 0 HA LEU A 32 15.026 11.612 -10.238 1.00 3.14 H new ATOM 0 HB2 LEU A 32 13.156 13.288 -10.408 1.00 63.31 H new ATOM 0 HB3 LEU A 32 12.811 11.882 -9.419 1.00 63.31 H new ATOM 0 HG LEU A 32 13.684 13.578 -7.496 1.00 55.44 H new ATOM 0 HD11 LEU A 32 12.709 15.800 -7.922 1.00 43.30 H new ATOM 0 HD12 LEU A 32 14.027 15.429 -9.059 1.00 43.30 H new ATOM 0 HD13 LEU A 32 12.333 15.311 -9.591 1.00 43.30 H new ATOM 0 HD21 LEU A 32 11.304 13.991 -7.005 1.00 14.52 H new ATOM 0 HD22 LEU A 32 10.875 13.432 -8.639 1.00 14.52 H new ATOM 0 HD23 LEU A 32 11.597 12.299 -7.473 1.00 14.52 H new ATOM 510 N LYS A 33 15.980 14.505 -8.979 1.00 74.10 N ATOM 511 CA LYS A 33 16.776 15.696 -9.248 1.00 41.23 C ATOM 512 C LYS A 33 18.135 15.322 -9.831 1.00 61.21 C ATOM 513 O LYS A 33 18.743 16.100 -10.566 1.00 43.52 O ATOM 514 CB LYS A 33 16.966 16.509 -7.965 1.00 73.34 C ATOM 515 CG LYS A 33 18.411 16.891 -7.696 1.00 13.51 C ATOM 516 CD LYS A 33 19.175 15.755 -7.037 1.00 50.32 C ATOM 517 CE LYS A 33 20.615 15.698 -7.522 1.00 64.43 C ATOM 518 NZ LYS A 33 21.554 16.317 -6.547 1.00 4.42 N ATOM 0 H LYS A 33 15.645 14.431 -8.019 1.00 74.10 H new ATOM 0 HA LYS A 33 16.241 16.302 -9.979 1.00 41.23 H new ATOM 0 HB2 LYS A 33 16.365 17.416 -8.027 1.00 73.34 H new ATOM 0 HB3 LYS A 33 16.588 15.933 -7.120 1.00 73.34 H new ATOM 0 HG2 LYS A 33 18.897 17.162 -8.633 1.00 13.51 H new ATOM 0 HG3 LYS A 33 18.442 17.772 -7.055 1.00 13.51 H new ATOM 0 HD2 LYS A 33 19.159 15.884 -5.955 1.00 50.32 H new ATOM 0 HD3 LYS A 33 18.679 14.808 -7.253 1.00 50.32 H new ATOM 0 HE2 LYS A 33 20.900 14.660 -7.692 1.00 64.43 H new ATOM 0 HE3 LYS A 33 20.696 16.211 -8.480 1.00 64.43 H new ATOM 0 HZ1 LYS A 33 22.399 16.659 -7.048 1.00 4.42 H new ATOM 0 HZ2 LYS A 33 21.086 17.115 -6.073 1.00 4.42 H new ATOM 0 HZ3 LYS A 33 21.835 15.610 -5.838 1.00 4.42 H new ATOM 532 N THR A 34 18.607 14.124 -9.499 1.00 75.25 N ATOM 533 CA THR A 34 19.893 13.646 -9.990 1.00 41.11 C ATOM 534 C THR A 34 19.778 13.123 -11.417 1.00 54.43 C ATOM 535 O THR A 34 20.763 13.082 -12.156 1.00 15.20 O ATOM 536 CB THR A 34 20.458 12.530 -9.091 1.00 1.31 C ATOM 537 OG1 THR A 34 21.863 12.726 -8.891 1.00 75.14 O ATOM 538 CG2 THR A 34 20.214 11.162 -9.709 1.00 22.21 C ATOM 0 H THR A 34 18.117 13.467 -8.892 1.00 75.25 H new ATOM 0 HA THR A 34 20.573 14.497 -9.972 1.00 41.11 H new ATOM 0 HB THR A 34 19.945 12.573 -8.130 1.00 1.31 H new ATOM 0 HG1 THR A 34 22.214 12.013 -8.317 1.00 75.14 H new ATOM 0 HG21 THR A 34 20.622 10.390 -9.056 1.00 22.21 H new ATOM 0 HG22 THR A 34 19.143 11.004 -9.832 1.00 22.21 H new ATOM 0 HG23 THR A 34 20.703 11.110 -10.682 1.00 22.21 H new ATOM 546 N LEU A 35 18.570 12.725 -11.801 1.00 14.34 N ATOM 547 CA LEU A 35 18.325 12.205 -13.141 1.00 50.45 C ATOM 548 C LEU A 35 18.269 13.337 -14.163 1.00 2.14 C ATOM 549 O LEU A 35 19.061 13.378 -15.105 1.00 74.44 O ATOM 550 CB LEU A 35 17.018 11.411 -13.171 1.00 51.43 C ATOM 551 CG LEU A 35 16.757 10.502 -11.970 1.00 2.22 C ATOM 552 CD1 LEU A 35 15.405 9.820 -12.101 1.00 35.45 C ATOM 553 CD2 LEU A 35 17.867 9.470 -11.832 1.00 34.24 C ATOM 0 H LEU A 35 17.745 12.753 -11.202 1.00 14.34 H new ATOM 0 HA LEU A 35 19.151 11.544 -13.403 1.00 50.45 H new ATOM 0 HB2 LEU A 35 16.190 12.115 -13.255 1.00 51.43 H new ATOM 0 HB3 LEU A 35 17.009 10.799 -14.073 1.00 51.43 H new ATOM 0 HG LEU A 35 16.745 11.116 -11.069 1.00 2.22 H new ATOM 0 HD11 LEU A 35 15.237 9.177 -11.237 1.00 35.45 H new ATOM 0 HD12 LEU A 35 14.620 10.575 -12.150 1.00 35.45 H new ATOM 0 HD13 LEU A 35 15.387 9.218 -13.010 1.00 35.45 H new ATOM 0 HD21 LEU A 35 17.665 8.831 -10.972 1.00 34.24 H new ATOM 0 HD22 LEU A 35 17.911 8.860 -12.734 1.00 34.24 H new ATOM 0 HD23 LEU A 35 18.821 9.978 -11.691 1.00 34.24 H new ATOM 565 N THR A 36 17.330 14.257 -13.968 1.00 12.52 N ATOM 566 CA THR A 36 17.171 15.391 -14.870 1.00 61.34 C ATOM 567 C THR A 36 16.975 16.688 -14.095 1.00 3.23 C ATOM 568 O THR A 36 17.314 17.768 -14.577 1.00 14.31 O ATOM 569 CB THR A 36 15.976 15.189 -15.821 1.00 30.31 C ATOM 570 OG1 THR A 36 15.740 16.385 -16.572 1.00 61.33 O ATOM 571 CG2 THR A 36 14.723 14.817 -15.043 1.00 73.10 C ATOM 0 H THR A 36 16.667 14.239 -13.193 1.00 12.52 H new ATOM 0 HA THR A 36 18.087 15.458 -15.457 1.00 61.34 H new ATOM 0 HB THR A 36 16.216 14.374 -16.503 1.00 30.31 H new ATOM 0 HG1 THR A 36 14.784 16.461 -16.775 1.00 61.33 H new ATOM 0 HG21 THR A 36 13.892 14.679 -15.735 1.00 73.10 H new ATOM 0 HG22 THR A 36 14.896 13.891 -14.495 1.00 73.10 H new ATOM 0 HG23 THR A 36 14.481 15.614 -14.340 1.00 73.10 H new ATOM 579 N GLY A 37 16.427 16.575 -12.889 1.00 31.43 N ATOM 580 CA GLY A 37 16.196 17.747 -12.065 1.00 42.12 C ATOM 581 C GLY A 37 17.485 18.440 -11.669 1.00 51.01 C ATOM 582 O GLY A 37 18.571 18.025 -12.073 1.00 22.31 O ATOM 0 H GLY A 37 16.139 15.692 -12.468 1.00 31.43 H new ATOM 0 HA2 GLY A 37 15.561 18.449 -12.606 1.00 42.12 H new ATOM 0 HA3 GLY A 37 15.653 17.454 -11.166 1.00 42.12 H new ATOM 586 N VAL A 38 17.365 19.501 -10.877 1.00 43.13 N ATOM 587 CA VAL A 38 18.530 20.254 -10.427 1.00 32.01 C ATOM 588 C VAL A 38 18.731 20.107 -8.923 1.00 22.11 C ATOM 589 O VAL A 38 17.772 20.136 -8.151 1.00 74.11 O ATOM 590 CB VAL A 38 18.399 21.749 -10.772 1.00 44.35 C ATOM 591 CG1 VAL A 38 16.977 22.231 -10.531 1.00 1.31 C ATOM 592 CG2 VAL A 38 19.394 22.571 -9.966 1.00 32.31 C ATOM 0 H VAL A 38 16.473 19.858 -10.534 1.00 43.13 H new ATOM 0 HA VAL A 38 19.394 19.843 -10.949 1.00 32.01 H new ATOM 0 HB VAL A 38 18.626 21.881 -11.830 1.00 44.35 H new ATOM 0 HG11 VAL A 38 16.904 23.290 -10.780 1.00 1.31 H new ATOM 0 HG12 VAL A 38 16.289 21.663 -11.157 1.00 1.31 H new ATOM 0 HG13 VAL A 38 16.717 22.087 -9.482 1.00 1.31 H new ATOM 0 HG21 VAL A 38 19.287 23.625 -10.223 1.00 32.31 H new ATOM 0 HG22 VAL A 38 19.201 22.435 -8.902 1.00 32.31 H new ATOM 0 HG23 VAL A 38 20.408 22.242 -10.195 1.00 32.31 H new ATOM 602 N LEU A 39 19.985 19.949 -8.512 1.00 54.32 N ATOM 603 CA LEU A 39 20.313 19.798 -7.099 1.00 4.10 C ATOM 604 C LEU A 39 19.745 20.954 -6.281 1.00 64.51 C ATOM 605 O LEU A 39 19.584 22.072 -6.770 1.00 31.11 O ATOM 606 CB LEU A 39 21.830 19.724 -6.913 1.00 71.30 C ATOM 607 CG LEU A 39 22.666 20.582 -7.864 1.00 34.43 C ATOM 608 CD1 LEU A 39 22.809 19.897 -9.214 1.00 52.01 C ATOM 609 CD2 LEU A 39 22.042 21.960 -8.026 1.00 12.11 C ATOM 0 H LEU A 39 20.791 19.922 -9.137 1.00 54.32 H new ATOM 0 HA LEU A 39 19.863 18.871 -6.744 1.00 4.10 H new ATOM 0 HB2 LEU A 39 22.065 20.017 -5.890 1.00 71.30 H new ATOM 0 HB3 LEU A 39 22.139 18.685 -7.026 1.00 71.30 H new ATOM 0 HG LEU A 39 23.660 20.704 -7.435 1.00 34.43 H new ATOM 0 HD11 LEU A 39 23.407 20.522 -9.878 1.00 52.01 H new ATOM 0 HD12 LEU A 39 23.301 18.933 -9.083 1.00 52.01 H new ATOM 0 HD13 LEU A 39 21.822 19.744 -9.651 1.00 52.01 H new ATOM 0 HD21 LEU A 39 22.650 22.557 -8.706 1.00 12.11 H new ATOM 0 HD22 LEU A 39 21.036 21.858 -8.433 1.00 12.11 H new ATOM 0 HD23 LEU A 39 21.992 22.453 -7.055 1.00 12.11 H new ATOM 621 N PRO A 40 19.437 20.680 -5.005 1.00 34.12 N ATOM 622 CA PRO A 40 18.885 21.684 -4.091 1.00 53.50 C ATOM 623 C PRO A 40 19.907 22.752 -3.717 1.00 42.12 C ATOM 624 O PRO A 40 19.545 23.852 -3.302 1.00 50.32 O ATOM 625 CB PRO A 40 18.492 20.865 -2.859 1.00 11.51 C ATOM 626 CG PRO A 40 19.381 19.671 -2.899 1.00 73.42 C ATOM 627 CD PRO A 40 19.603 19.369 -4.355 1.00 71.35 C ATOM 0 HA PRO A 40 18.055 22.230 -4.539 1.00 53.50 H new ATOM 0 HB2 PRO A 40 18.637 21.436 -1.942 1.00 11.51 H new ATOM 0 HB3 PRO A 40 17.441 20.578 -2.893 1.00 11.51 H new ATOM 0 HG2 PRO A 40 20.326 19.871 -2.393 1.00 73.42 H new ATOM 0 HG3 PRO A 40 18.920 18.824 -2.391 1.00 73.42 H new ATOM 0 HD2 PRO A 40 20.596 18.955 -4.533 1.00 71.35 H new ATOM 0 HD3 PRO A 40 18.883 18.641 -4.729 1.00 71.35 H new ATOM 635 N GLU A 41 21.185 22.419 -3.868 1.00 5.42 N ATOM 636 CA GLU A 41 22.260 23.351 -3.545 1.00 52.10 C ATOM 637 C GLU A 41 22.078 24.670 -4.290 1.00 41.23 C ATOM 638 O GLU A 41 22.331 25.744 -3.744 1.00 12.02 O ATOM 639 CB GLU A 41 23.618 22.739 -3.894 1.00 31.44 C ATOM 640 CG GLU A 41 24.791 23.665 -3.621 1.00 23.31 C ATOM 641 CD GLU A 41 25.996 22.931 -3.064 1.00 42.52 C ATOM 642 OE1 GLU A 41 26.699 22.263 -3.851 1.00 73.13 O ATOM 643 OE2 GLU A 41 26.237 23.026 -1.843 1.00 35.34 O ATOM 0 H GLU A 41 21.501 21.512 -4.211 1.00 5.42 H new ATOM 0 HA GLU A 41 22.224 23.550 -2.474 1.00 52.10 H new ATOM 0 HB2 GLU A 41 23.751 21.820 -3.323 1.00 31.44 H new ATOM 0 HB3 GLU A 41 23.622 22.462 -4.948 1.00 31.44 H new ATOM 0 HG2 GLU A 41 25.073 24.170 -4.545 1.00 23.31 H new ATOM 0 HG3 GLU A 41 24.483 24.438 -2.916 1.00 23.31 H new ATOM 650 N ARG A 42 21.639 24.581 -5.541 1.00 71.55 N ATOM 651 CA ARG A 42 21.425 25.766 -6.363 1.00 30.11 C ATOM 652 C ARG A 42 19.938 26.087 -6.476 1.00 53.45 C ATOM 653 O ARG A 42 19.540 27.251 -6.428 1.00 73.11 O ATOM 654 CB ARG A 42 22.021 25.561 -7.757 1.00 23.13 C ATOM 655 CG ARG A 42 23.482 25.966 -7.860 1.00 5.53 C ATOM 656 CD ARG A 42 24.407 24.807 -7.524 1.00 4.14 C ATOM 657 NE ARG A 42 25.802 25.114 -7.828 1.00 5.15 N ATOM 658 CZ ARG A 42 26.831 24.474 -7.283 1.00 62.22 C ATOM 659 NH1 ARG A 42 26.622 23.496 -6.412 1.00 43.32 N ATOM 660 NH2 ARG A 42 28.072 24.811 -7.610 1.00 63.24 N ATOM 0 H ARG A 42 21.424 23.700 -6.008 1.00 71.55 H new ATOM 0 HA ARG A 42 21.925 26.606 -5.882 1.00 30.11 H new ATOM 0 HB2 ARG A 42 21.923 24.511 -8.034 1.00 23.13 H new ATOM 0 HB3 ARG A 42 21.441 26.136 -8.479 1.00 23.13 H new ATOM 0 HG2 ARG A 42 23.692 26.320 -8.869 1.00 5.53 H new ATOM 0 HG3 ARG A 42 23.679 26.798 -7.183 1.00 5.53 H new ATOM 0 HD2 ARG A 42 24.312 24.562 -6.466 1.00 4.14 H new ATOM 0 HD3 ARG A 42 24.100 23.924 -8.084 1.00 4.14 H new ATOM 0 HE ARG A 42 25.997 25.861 -8.495 1.00 5.15 H new ATOM 0 HH11 ARG A 42 25.669 23.233 -6.159 1.00 43.32 H new ATOM 0 HH12 ARG A 42 27.414 23.006 -5.995 1.00 43.32 H new ATOM 0 HH21 ARG A 42 28.237 25.562 -8.280 1.00 63.24 H new ATOM 0 HH22 ARG A 42 28.861 24.319 -7.191 1.00 63.24 H new ATOM 674 N GLN A 43 19.123 25.048 -6.628 1.00 52.51 N ATOM 675 CA GLN A 43 17.680 25.221 -6.750 1.00 1.21 C ATOM 676 C GLN A 43 16.989 24.984 -5.411 1.00 75.14 C ATOM 677 O GLN A 43 17.533 24.321 -4.528 1.00 11.41 O ATOM 678 CB GLN A 43 17.118 24.266 -7.804 1.00 50.13 C ATOM 679 CG GLN A 43 16.746 22.900 -7.251 1.00 63.21 C ATOM 680 CD GLN A 43 15.342 22.863 -6.681 1.00 50.14 C ATOM 681 OE1 GLN A 43 14.534 23.757 -6.934 1.00 14.01 O ATOM 682 NE2 GLN A 43 15.044 21.826 -5.908 1.00 14.04 N ATOM 0 H GLN A 43 19.437 24.078 -6.670 1.00 52.51 H new ATOM 0 HA GLN A 43 17.487 26.248 -7.061 1.00 1.21 H new ATOM 0 HB2 GLN A 43 16.236 24.718 -8.258 1.00 50.13 H new ATOM 0 HB3 GLN A 43 17.855 24.139 -8.597 1.00 50.13 H new ATOM 0 HG2 GLN A 43 16.832 22.156 -8.043 1.00 63.21 H new ATOM 0 HG3 GLN A 43 17.457 22.621 -6.473 1.00 63.21 H new ATOM 0 HE21 GLN A 43 15.745 21.108 -5.725 1.00 14.04 H new ATOM 0 HE22 GLN A 43 14.114 21.747 -5.497 1.00 14.04 H new ATOM 691 N LYS A 44 15.785 25.529 -5.268 1.00 5.32 N ATOM 692 CA LYS A 44 15.018 25.377 -4.038 1.00 33.04 C ATOM 693 C LYS A 44 13.609 24.872 -4.334 1.00 42.24 C ATOM 694 O LYS A 44 12.989 25.275 -5.319 1.00 51.23 O ATOM 695 CB LYS A 44 14.946 26.709 -3.288 1.00 41.55 C ATOM 696 CG LYS A 44 14.287 27.821 -4.087 1.00 4.34 C ATOM 697 CD LYS A 44 12.780 27.827 -3.896 1.00 0.34 C ATOM 698 CE LYS A 44 12.258 29.231 -3.629 1.00 75.31 C ATOM 699 NZ LYS A 44 12.044 29.992 -4.891 1.00 44.10 N ATOM 0 H LYS A 44 15.320 26.080 -5.989 1.00 5.32 H new ATOM 0 HA LYS A 44 15.525 24.642 -3.413 1.00 33.04 H new ATOM 0 HB2 LYS A 44 14.394 26.564 -2.359 1.00 41.55 H new ATOM 0 HB3 LYS A 44 15.955 27.018 -3.015 1.00 41.55 H new ATOM 0 HG2 LYS A 44 14.697 28.783 -3.780 1.00 4.34 H new ATOM 0 HG3 LYS A 44 14.520 27.698 -5.145 1.00 4.34 H new ATOM 0 HD2 LYS A 44 12.298 27.421 -4.785 1.00 0.34 H new ATOM 0 HD3 LYS A 44 12.515 27.175 -3.064 1.00 0.34 H new ATOM 0 HE2 LYS A 44 11.320 29.171 -3.078 1.00 75.31 H new ATOM 0 HE3 LYS A 44 12.966 29.768 -2.997 1.00 75.31 H new ATOM 0 HZ1 LYS A 44 11.688 30.943 -4.667 1.00 44.10 H new ATOM 0 HZ2 LYS A 44 12.944 30.071 -5.405 1.00 44.10 H new ATOM 0 HZ3 LYS A 44 11.350 29.494 -5.483 1.00 44.10 H new ATOM 713 N LEU A 45 13.109 23.990 -3.477 1.00 21.35 N ATOM 714 CA LEU A 45 11.772 23.431 -3.646 1.00 23.11 C ATOM 715 C LEU A 45 10.705 24.503 -3.449 1.00 61.22 C ATOM 716 O LEU A 45 10.779 25.304 -2.517 1.00 4.51 O ATOM 717 CB LEU A 45 11.548 22.285 -2.658 1.00 63.41 C ATOM 718 CG LEU A 45 12.254 20.968 -2.986 1.00 55.24 C ATOM 719 CD1 LEU A 45 11.906 20.513 -4.395 1.00 52.33 C ATOM 720 CD2 LEU A 45 13.760 21.116 -2.828 1.00 52.23 C ATOM 0 H LEU A 45 13.609 23.646 -2.657 1.00 21.35 H new ATOM 0 HA LEU A 45 11.692 23.047 -4.663 1.00 23.11 H new ATOM 0 HB2 LEU A 45 11.875 22.613 -1.671 1.00 63.41 H new ATOM 0 HB3 LEU A 45 10.477 22.093 -2.592 1.00 63.41 H new ATOM 0 HG LEU A 45 11.909 20.208 -2.285 1.00 55.24 H new ATOM 0 HD11 LEU A 45 12.417 19.575 -4.611 1.00 52.33 H new ATOM 0 HD12 LEU A 45 10.829 20.366 -4.474 1.00 52.33 H new ATOM 0 HD13 LEU A 45 12.222 21.272 -5.111 1.00 52.33 H new ATOM 0 HD21 LEU A 45 14.246 20.169 -3.065 1.00 52.23 H new ATOM 0 HD22 LEU A 45 14.123 21.890 -3.505 1.00 52.23 H new ATOM 0 HD23 LEU A 45 13.992 21.395 -1.800 1.00 52.23 H new ATOM 732 N LEU A 46 9.712 24.510 -4.331 1.00 52.22 N ATOM 733 CA LEU A 46 8.627 25.482 -4.254 1.00 12.34 C ATOM 734 C LEU A 46 7.636 25.106 -3.156 1.00 44.41 C ATOM 735 O LEU A 46 7.626 25.708 -2.083 1.00 32.31 O ATOM 736 CB LEU A 46 7.904 25.577 -5.598 1.00 53.32 C ATOM 737 CG LEU A 46 8.606 26.397 -6.682 1.00 31.35 C ATOM 738 CD1 LEU A 46 8.878 27.810 -6.190 1.00 32.11 C ATOM 739 CD2 LEU A 46 9.901 25.720 -7.107 1.00 73.30 C ATOM 0 H LEU A 46 9.636 23.854 -5.108 1.00 52.22 H new ATOM 0 HA LEU A 46 9.059 26.453 -4.012 1.00 12.34 H new ATOM 0 HB2 LEU A 46 7.750 24.567 -5.977 1.00 53.32 H new ATOM 0 HB3 LEU A 46 6.917 26.007 -5.427 1.00 53.32 H new ATOM 0 HG LEU A 46 7.948 26.457 -7.549 1.00 31.35 H new ATOM 0 HD11 LEU A 46 9.378 28.378 -6.974 1.00 32.11 H new ATOM 0 HD12 LEU A 46 7.935 28.294 -5.935 1.00 32.11 H new ATOM 0 HD13 LEU A 46 9.516 27.771 -5.307 1.00 32.11 H new ATOM 0 HD21 LEU A 46 10.387 26.317 -7.879 1.00 73.30 H new ATOM 0 HD22 LEU A 46 10.564 25.630 -6.246 1.00 73.30 H new ATOM 0 HD23 LEU A 46 9.681 24.728 -7.501 1.00 73.30 H new ATOM 751 N GLY A 47 6.806 24.105 -3.433 1.00 11.53 N ATOM 752 CA GLY A 47 5.825 23.665 -2.458 1.00 54.05 C ATOM 753 C GLY A 47 6.297 22.465 -1.662 1.00 11.13 C ATOM 754 O GLY A 47 5.672 21.404 -1.694 1.00 64.12 O ATOM 0 H GLY A 47 6.795 23.591 -4.314 1.00 11.53 H new ATOM 0 HA2 GLY A 47 5.602 24.485 -1.775 1.00 54.05 H new ATOM 0 HA3 GLY A 47 4.896 23.415 -2.970 1.00 54.05 H new ATOM 758 N LEU A 48 7.403 22.631 -0.945 1.00 41.12 N ATOM 759 CA LEU A 48 7.960 21.552 -0.137 1.00 64.01 C ATOM 760 C LEU A 48 6.922 21.013 0.842 1.00 24.00 C ATOM 761 O LEU A 48 7.005 19.866 1.282 1.00 12.24 O ATOM 762 CB LEU A 48 9.192 22.043 0.626 1.00 15.44 C ATOM 763 CG LEU A 48 8.988 23.280 1.503 1.00 64.22 C ATOM 764 CD1 LEU A 48 8.574 22.875 2.909 1.00 53.11 C ATOM 765 CD2 LEU A 48 10.256 24.121 1.540 1.00 52.30 C ATOM 0 H LEU A 48 7.932 23.502 -0.907 1.00 41.12 H new ATOM 0 HA LEU A 48 8.254 20.744 -0.807 1.00 64.01 H new ATOM 0 HB2 LEU A 48 9.552 21.230 1.257 1.00 15.44 H new ATOM 0 HB3 LEU A 48 9.980 22.259 -0.096 1.00 15.44 H new ATOM 0 HG LEU A 48 8.189 23.881 1.070 1.00 64.22 H new ATOM 0 HD11 LEU A 48 8.434 23.768 3.518 1.00 53.11 H new ATOM 0 HD12 LEU A 48 7.640 22.314 2.866 1.00 53.11 H new ATOM 0 HD13 LEU A 48 9.351 22.252 3.352 1.00 53.11 H new ATOM 0 HD21 LEU A 48 10.093 24.997 2.168 1.00 52.30 H new ATOM 0 HD22 LEU A 48 11.074 23.528 1.949 1.00 52.30 H new ATOM 0 HD23 LEU A 48 10.510 24.441 0.529 1.00 52.30 H new ATOM 777 N LYS A 49 5.944 21.847 1.178 1.00 41.14 N ATOM 778 CA LYS A 49 4.887 21.455 2.102 1.00 72.32 C ATOM 779 C LYS A 49 3.593 21.153 1.352 1.00 62.20 C ATOM 780 O LYS A 49 3.268 21.812 0.364 1.00 22.41 O ATOM 781 CB LYS A 49 4.645 22.560 3.132 1.00 4.21 C ATOM 782 CG LYS A 49 5.135 23.926 2.684 1.00 2.42 C ATOM 783 CD LYS A 49 4.730 25.013 3.666 1.00 44.31 C ATOM 784 CE LYS A 49 5.938 25.790 4.167 1.00 43.24 C ATOM 785 NZ LYS A 49 5.546 26.891 5.090 1.00 61.12 N ATOM 0 H LYS A 49 5.862 22.800 0.824 1.00 41.14 H new ATOM 0 HA LYS A 49 5.208 20.550 2.618 1.00 72.32 H new ATOM 0 HB2 LYS A 49 3.578 22.618 3.346 1.00 4.21 H new ATOM 0 HB3 LYS A 49 5.143 22.292 4.064 1.00 4.21 H new ATOM 0 HG2 LYS A 49 6.220 23.910 2.585 1.00 2.42 H new ATOM 0 HG3 LYS A 49 4.728 24.154 1.699 1.00 2.42 H new ATOM 0 HD2 LYS A 49 4.030 25.697 3.185 1.00 44.31 H new ATOM 0 HD3 LYS A 49 4.208 24.565 4.512 1.00 44.31 H new ATOM 0 HE2 LYS A 49 6.619 25.111 4.680 1.00 43.24 H new ATOM 0 HE3 LYS A 49 6.481 26.204 3.318 1.00 43.24 H new ATOM 0 HZ1 LYS A 49 6.397 27.396 5.409 1.00 61.12 H new ATOM 0 HZ2 LYS A 49 4.916 27.553 4.593 1.00 61.12 H new ATOM 0 HZ3 LYS A 49 5.050 26.494 5.913 1.00 61.12 H new ATOM 799 N VAL A 50 2.858 20.153 1.829 1.00 54.44 N ATOM 800 CA VAL A 50 1.598 19.766 1.205 1.00 51.22 C ATOM 801 C VAL A 50 0.579 19.326 2.250 1.00 3.33 C ATOM 802 O VAL A 50 0.930 18.697 3.249 1.00 73.12 O ATOM 803 CB VAL A 50 1.801 18.625 0.190 1.00 4.23 C ATOM 804 CG1 VAL A 50 2.296 17.369 0.891 1.00 35.04 C ATOM 805 CG2 VAL A 50 0.511 18.350 -0.568 1.00 4.44 C ATOM 0 H VAL A 50 3.113 19.597 2.645 1.00 54.44 H new ATOM 0 HA VAL A 50 1.221 20.645 0.682 1.00 51.22 H new ATOM 0 HB VAL A 50 2.559 18.933 -0.530 1.00 4.23 H new ATOM 0 HG11 VAL A 50 2.434 16.574 0.158 1.00 35.04 H new ATOM 0 HG12 VAL A 50 3.246 17.577 1.383 1.00 35.04 H new ATOM 0 HG13 VAL A 50 1.563 17.055 1.634 1.00 35.04 H new ATOM 0 HG21 VAL A 50 0.673 17.541 -1.281 1.00 4.44 H new ATOM 0 HG22 VAL A 50 -0.270 18.063 0.136 1.00 4.44 H new ATOM 0 HG23 VAL A 50 0.205 19.249 -1.103 1.00 4.44 H new ATOM 815 N LYS A 51 -0.685 19.661 2.014 1.00 4.24 N ATOM 816 CA LYS A 51 -1.757 19.300 2.934 1.00 21.10 C ATOM 817 C LYS A 51 -1.445 19.779 4.348 1.00 13.12 C ATOM 818 O LYS A 51 -1.802 19.126 5.328 1.00 11.30 O ATOM 819 CB LYS A 51 -1.969 17.784 2.933 1.00 44.32 C ATOM 820 CG LYS A 51 -2.196 17.203 1.548 1.00 14.11 C ATOM 821 CD LYS A 51 -3.539 16.498 1.453 1.00 22.55 C ATOM 822 CE LYS A 51 -3.858 16.096 0.021 1.00 3.14 C ATOM 823 NZ LYS A 51 -5.301 15.776 -0.157 1.00 12.44 N ATOM 0 H LYS A 51 -0.992 20.182 1.193 1.00 4.24 H new ATOM 0 HA LYS A 51 -2.671 19.789 2.597 1.00 21.10 H new ATOM 0 HB2 LYS A 51 -1.099 17.304 3.381 1.00 44.32 H new ATOM 0 HB3 LYS A 51 -2.826 17.545 3.563 1.00 44.32 H new ATOM 0 HG2 LYS A 51 -2.149 18.000 0.806 1.00 14.11 H new ATOM 0 HG3 LYS A 51 -1.397 16.500 1.312 1.00 14.11 H new ATOM 0 HD2 LYS A 51 -3.532 15.612 2.088 1.00 22.55 H new ATOM 0 HD3 LYS A 51 -4.323 17.154 1.831 1.00 22.55 H new ATOM 0 HE2 LYS A 51 -3.580 16.905 -0.654 1.00 3.14 H new ATOM 0 HE3 LYS A 51 -3.257 15.230 -0.255 1.00 3.14 H new ATOM 0 HZ1 LYS A 51 -5.477 15.507 -1.146 1.00 12.44 H new ATOM 0 HZ2 LYS A 51 -5.561 14.987 0.468 1.00 12.44 H new ATOM 0 HZ3 LYS A 51 -5.874 16.611 0.082 1.00 12.44 H new ATOM 837 N GLY A 52 -0.778 20.925 4.447 1.00 52.24 N ATOM 838 CA GLY A 52 -0.431 21.473 5.745 1.00 35.41 C ATOM 839 C GLY A 52 0.850 20.883 6.299 1.00 3.03 C ATOM 840 O GLY A 52 1.432 21.418 7.243 1.00 11.42 O ATOM 0 H GLY A 52 -0.472 21.484 3.651 1.00 52.24 H new ATOM 0 HA2 GLY A 52 -0.323 22.555 5.662 1.00 35.41 H new ATOM 0 HA3 GLY A 52 -1.246 21.286 6.445 1.00 35.41 H new ATOM 844 N LYS A 53 1.292 19.775 5.713 1.00 1.51 N ATOM 845 CA LYS A 53 2.513 19.111 6.153 1.00 0.13 C ATOM 846 C LYS A 53 3.745 19.785 5.557 1.00 14.11 C ATOM 847 O LYS A 53 3.708 20.338 4.458 1.00 41.22 O ATOM 848 CB LYS A 53 2.485 17.633 5.757 1.00 42.21 C ATOM 849 CG LYS A 53 1.478 16.811 6.543 1.00 41.53 C ATOM 850 CD LYS A 53 1.801 16.805 8.028 1.00 52.25 C ATOM 851 CE LYS A 53 1.814 15.392 8.589 1.00 60.40 C ATOM 852 NZ LYS A 53 1.902 15.386 10.075 1.00 4.15 N ATOM 0 H LYS A 53 0.822 19.318 4.932 1.00 1.51 H new ATOM 0 HA LYS A 53 2.568 19.189 7.239 1.00 0.13 H new ATOM 0 HB2 LYS A 53 2.255 17.555 4.694 1.00 42.21 H new ATOM 0 HB3 LYS A 53 3.479 17.208 5.900 1.00 42.21 H new ATOM 0 HG2 LYS A 53 0.478 17.215 6.389 1.00 41.53 H new ATOM 0 HG3 LYS A 53 1.470 15.788 6.167 1.00 41.53 H new ATOM 0 HD2 LYS A 53 2.772 17.272 8.192 1.00 52.25 H new ATOM 0 HD3 LYS A 53 1.065 17.404 8.564 1.00 52.25 H new ATOM 0 HE2 LYS A 53 0.910 14.869 8.277 1.00 60.40 H new ATOM 0 HE3 LYS A 53 2.659 14.844 8.173 1.00 60.40 H new ATOM 0 HZ1 LYS A 53 1.908 14.404 10.418 1.00 4.15 H new ATOM 0 HZ2 LYS A 53 2.777 15.863 10.373 1.00 4.15 H new ATOM 0 HZ3 LYS A 53 1.082 15.887 10.473 1.00 4.15 H new ATOM 866 N PRO A 54 4.862 19.738 6.297 1.00 44.21 N ATOM 867 CA PRO A 54 6.127 20.338 5.860 1.00 73.32 C ATOM 868 C PRO A 54 6.752 19.585 4.690 1.00 32.45 C ATOM 869 O PRO A 54 7.354 20.187 3.803 1.00 45.31 O ATOM 870 CB PRO A 54 7.017 20.233 7.101 1.00 72.43 C ATOM 871 CG PRO A 54 6.461 19.084 7.870 1.00 53.24 C ATOM 872 CD PRO A 54 4.978 19.096 7.617 1.00 64.42 C ATOM 0 HA PRO A 54 5.992 21.358 5.501 1.00 73.32 H new ATOM 0 HB2 PRO A 54 8.058 20.060 6.828 1.00 72.43 H new ATOM 0 HB3 PRO A 54 6.989 21.152 7.687 1.00 72.43 H new ATOM 0 HG2 PRO A 54 6.905 18.144 7.543 1.00 53.24 H new ATOM 0 HG3 PRO A 54 6.676 19.185 8.934 1.00 53.24 H new ATOM 0 HD2 PRO A 54 4.563 18.088 7.611 1.00 64.42 H new ATOM 0 HD3 PRO A 54 4.444 19.656 8.385 1.00 64.42 H new ATOM 880 N ALA A 55 6.604 18.264 4.696 1.00 34.12 N ATOM 881 CA ALA A 55 7.152 17.429 3.634 1.00 14.14 C ATOM 882 C ALA A 55 8.522 17.932 3.192 1.00 14.04 C ATOM 883 O ALA A 55 8.841 17.925 2.004 1.00 1.22 O ATOM 884 CB ALA A 55 6.196 17.386 2.451 1.00 22.40 C ATOM 0 H ALA A 55 6.109 17.749 5.424 1.00 34.12 H new ATOM 0 HA ALA A 55 7.274 16.419 4.025 1.00 14.14 H new ATOM 0 HB1 ALA A 55 6.617 16.759 1.665 1.00 22.40 H new ATOM 0 HB2 ALA A 55 5.239 16.973 2.771 1.00 22.40 H new ATOM 0 HB3 ALA A 55 6.045 18.395 2.068 1.00 22.40 H new ATOM 890 N GLU A 56 9.326 18.368 4.157 1.00 42.23 N ATOM 891 CA GLU A 56 10.662 18.876 3.865 1.00 55.21 C ATOM 892 C GLU A 56 11.581 17.752 3.396 1.00 53.15 C ATOM 893 O GLU A 56 11.878 17.635 2.208 1.00 64.23 O ATOM 894 CB GLU A 56 11.256 19.553 5.102 1.00 33.41 C ATOM 895 CG GLU A 56 12.679 20.044 4.902 1.00 4.33 C ATOM 896 CD GLU A 56 12.809 21.544 5.083 1.00 42.33 C ATOM 897 OE1 GLU A 56 12.969 21.992 6.237 1.00 25.03 O ATOM 898 OE2 GLU A 56 12.751 22.270 4.068 1.00 13.52 O ATOM 0 H GLU A 56 9.076 18.380 5.146 1.00 42.23 H new ATOM 0 HA GLU A 56 10.577 19.610 3.064 1.00 55.21 H new ATOM 0 HB2 GLU A 56 10.625 20.397 5.382 1.00 33.41 H new ATOM 0 HB3 GLU A 56 11.237 18.850 5.935 1.00 33.41 H new ATOM 0 HG2 GLU A 56 13.337 19.538 5.609 1.00 4.33 H new ATOM 0 HG3 GLU A 56 13.016 19.772 3.902 1.00 4.33 H new ATOM 905 N ASN A 57 12.027 16.928 4.338 1.00 1.21 N ATOM 906 CA ASN A 57 12.913 15.814 4.022 1.00 24.12 C ATOM 907 C ASN A 57 12.776 14.700 5.056 1.00 64.04 C ATOM 908 O ASN A 57 12.809 13.517 4.716 1.00 31.03 O ATOM 909 CB ASN A 57 14.366 16.292 3.960 1.00 35.13 C ATOM 910 CG ASN A 57 14.652 17.400 4.955 1.00 25.45 C ATOM 911 OD1 ASN A 57 14.189 17.361 6.095 1.00 22.44 O ATOM 912 ND2 ASN A 57 15.420 18.395 4.527 1.00 10.23 N ATOM 0 H ASN A 57 11.789 17.011 5.326 1.00 1.21 H new ATOM 0 HA ASN A 57 12.626 15.419 3.048 1.00 24.12 H new ATOM 0 HB2 ASN A 57 15.031 15.451 4.156 1.00 35.13 H new ATOM 0 HB3 ASN A 57 14.587 16.646 2.953 1.00 35.13 H new ATOM 0 HD21 ASN A 57 15.648 19.168 5.152 1.00 10.23 H new ATOM 0 HD22 ASN A 57 15.782 18.386 3.573 1.00 10.23 H new ATOM 919 N ASP A 58 12.623 15.087 6.317 1.00 32.32 N ATOM 920 CA ASP A 58 12.479 14.121 7.401 1.00 40.33 C ATOM 921 C ASP A 58 11.106 13.457 7.358 1.00 64.00 C ATOM 922 O ASP A 58 10.806 12.577 8.165 1.00 54.22 O ATOM 923 CB ASP A 58 12.686 14.806 8.753 1.00 63.52 C ATOM 924 CG ASP A 58 12.880 13.812 9.881 1.00 35.51 C ATOM 925 OD1 ASP A 58 13.620 12.825 9.683 1.00 0.31 O ATOM 926 OD2 ASP A 58 12.291 14.020 10.962 1.00 0.23 O ATOM 0 H ASP A 58 12.595 16.062 6.615 1.00 32.32 H new ATOM 0 HA ASP A 58 13.239 13.351 7.272 1.00 40.33 H new ATOM 0 HB2 ASP A 58 13.555 15.461 8.696 1.00 63.52 H new ATOM 0 HB3 ASP A 58 11.825 15.437 8.973 1.00 63.52 H new ATOM 931 N VAL A 59 10.277 13.885 6.412 1.00 74.23 N ATOM 932 CA VAL A 59 8.936 13.332 6.264 1.00 72.35 C ATOM 933 C VAL A 59 8.921 12.188 5.255 1.00 2.50 C ATOM 934 O VAL A 59 9.693 12.182 4.295 1.00 13.15 O ATOM 935 CB VAL A 59 7.930 14.409 5.816 1.00 44.31 C ATOM 936 CG1 VAL A 59 6.553 14.128 6.396 1.00 54.14 C ATOM 937 CG2 VAL A 59 8.417 15.792 6.222 1.00 14.40 C ATOM 0 H VAL A 59 10.510 14.613 5.737 1.00 74.23 H new ATOM 0 HA VAL A 59 8.641 12.954 7.243 1.00 72.35 H new ATOM 0 HB VAL A 59 7.852 14.380 4.729 1.00 44.31 H new ATOM 0 HG11 VAL A 59 5.856 14.899 6.069 1.00 54.14 H new ATOM 0 HG12 VAL A 59 6.205 13.154 6.051 1.00 54.14 H new ATOM 0 HG13 VAL A 59 6.610 14.129 7.485 1.00 54.14 H new ATOM 0 HG21 VAL A 59 7.695 16.542 5.898 1.00 14.40 H new ATOM 0 HG22 VAL A 59 8.525 15.836 7.306 1.00 14.40 H new ATOM 0 HG23 VAL A 59 9.381 15.990 5.753 1.00 14.40 H new ATOM 947 N LYS A 60 8.038 11.221 5.478 1.00 12.40 N ATOM 948 CA LYS A 60 7.920 10.072 4.588 1.00 11.15 C ATOM 949 C LYS A 60 6.886 10.332 3.498 1.00 52.33 C ATOM 950 O LYS A 60 5.898 11.034 3.719 1.00 10.01 O ATOM 951 CB LYS A 60 7.534 8.823 5.384 1.00 64.10 C ATOM 952 CG LYS A 60 8.632 8.330 6.311 1.00 34.33 C ATOM 953 CD LYS A 60 8.498 6.842 6.591 1.00 2.23 C ATOM 954 CE LYS A 60 9.133 6.466 7.921 1.00 1.34 C ATOM 955 NZ LYS A 60 8.656 5.143 8.409 1.00 33.15 N ATOM 0 H LYS A 60 7.393 11.210 6.268 1.00 12.40 H new ATOM 0 HA LYS A 60 8.888 9.910 4.114 1.00 11.15 H new ATOM 0 HB2 LYS A 60 6.642 9.039 5.973 1.00 64.10 H new ATOM 0 HB3 LYS A 60 7.272 8.026 4.689 1.00 64.10 H new ATOM 0 HG2 LYS A 60 9.605 8.531 5.863 1.00 34.33 H new ATOM 0 HG3 LYS A 60 8.593 8.883 7.250 1.00 34.33 H new ATOM 0 HD2 LYS A 60 7.444 6.566 6.599 1.00 2.23 H new ATOM 0 HD3 LYS A 60 8.970 6.276 5.788 1.00 2.23 H new ATOM 0 HE2 LYS A 60 10.217 6.443 7.812 1.00 1.34 H new ATOM 0 HE3 LYS A 60 8.903 7.231 8.662 1.00 1.34 H new ATOM 0 HZ1 LYS A 60 9.112 4.923 9.318 1.00 33.15 H new ATOM 0 HZ2 LYS A 60 7.624 5.172 8.537 1.00 33.15 H new ATOM 0 HZ3 LYS A 60 8.898 4.409 7.714 1.00 33.15 H new ATOM 969 N LEU A 61 7.118 9.762 2.321 1.00 61.13 N ATOM 970 CA LEU A 61 6.205 9.931 1.195 1.00 25.12 C ATOM 971 C LEU A 61 4.774 9.593 1.599 1.00 0.25 C ATOM 972 O LEU A 61 3.832 10.291 1.227 1.00 11.45 O ATOM 973 CB LEU A 61 6.639 9.047 0.025 1.00 70.15 C ATOM 974 CG LEU A 61 8.144 8.961 -0.231 1.00 2.53 C ATOM 975 CD1 LEU A 61 8.432 8.080 -1.436 1.00 41.22 C ATOM 976 CD2 LEU A 61 8.731 10.351 -0.431 1.00 53.25 C ATOM 0 H LEU A 61 7.930 9.179 2.121 1.00 61.13 H new ATOM 0 HA LEU A 61 6.238 10.976 0.885 1.00 25.12 H new ATOM 0 HB2 LEU A 61 6.262 8.039 0.198 1.00 70.15 H new ATOM 0 HB3 LEU A 61 6.157 9.416 -0.881 1.00 70.15 H new ATOM 0 HG LEU A 61 8.616 8.511 0.642 1.00 2.53 H new ATOM 0 HD11 LEU A 61 9.508 8.031 -1.602 1.00 41.22 H new ATOM 0 HD12 LEU A 61 8.047 7.077 -1.253 1.00 41.22 H new ATOM 0 HD13 LEU A 61 7.947 8.500 -2.318 1.00 41.22 H new ATOM 0 HD21 LEU A 61 9.803 10.271 -0.612 1.00 53.25 H new ATOM 0 HD22 LEU A 61 8.253 10.828 -1.287 1.00 53.25 H new ATOM 0 HD23 LEU A 61 8.558 10.951 0.462 1.00 53.25 H new ATOM 988 N GLY A 62 4.619 8.518 2.366 1.00 72.20 N ATOM 989 CA GLY A 62 3.300 8.107 2.810 1.00 14.51 C ATOM 990 C GLY A 62 2.755 8.998 3.909 1.00 32.11 C ATOM 991 O GLY A 62 1.560 8.974 4.201 1.00 14.31 O ATOM 0 H GLY A 62 5.384 7.924 2.688 1.00 72.20 H new ATOM 0 HA2 GLY A 62 2.614 8.120 1.963 1.00 14.51 H new ATOM 0 HA3 GLY A 62 3.345 7.079 3.169 1.00 14.51 H new ATOM 995 N ALA A 63 3.634 9.785 4.521 1.00 32.54 N ATOM 996 CA ALA A 63 3.234 10.687 5.594 1.00 21.33 C ATOM 997 C ALA A 63 2.708 12.005 5.036 1.00 64.30 C ATOM 998 O ALA A 63 1.998 12.742 5.721 1.00 20.21 O ATOM 999 CB ALA A 63 4.403 10.939 6.535 1.00 62.40 C ATOM 0 H ALA A 63 4.627 9.816 4.292 1.00 32.54 H new ATOM 0 HA ALA A 63 2.428 10.212 6.153 1.00 21.33 H new ATOM 0 HB1 ALA A 63 4.090 11.614 7.331 1.00 62.40 H new ATOM 0 HB2 ALA A 63 4.731 9.994 6.968 1.00 62.40 H new ATOM 0 HB3 ALA A 63 5.226 11.389 5.980 1.00 62.40 H new ATOM 1005 N LEU A 64 3.062 12.297 3.789 1.00 30.42 N ATOM 1006 CA LEU A 64 2.626 13.527 3.138 1.00 1.34 C ATOM 1007 C LEU A 64 1.230 13.365 2.546 1.00 70.12 C ATOM 1008 O LEU A 64 0.534 14.348 2.289 1.00 22.32 O ATOM 1009 CB LEU A 64 3.615 13.925 2.041 1.00 0.44 C ATOM 1010 CG LEU A 64 5.035 13.377 2.186 1.00 31.35 C ATOM 1011 CD1 LEU A 64 5.886 13.775 0.991 1.00 52.04 C ATOM 1012 CD2 LEU A 64 5.667 13.868 3.481 1.00 50.25 C ATOM 0 H LEU A 64 3.650 11.698 3.209 1.00 30.42 H new ATOM 0 HA LEU A 64 2.592 14.315 3.891 1.00 1.34 H new ATOM 0 HB2 LEU A 64 3.216 13.594 1.082 1.00 0.44 H new ATOM 0 HB3 LEU A 64 3.669 15.013 2.006 1.00 0.44 H new ATOM 0 HG LEU A 64 4.982 12.289 2.221 1.00 31.35 H new ATOM 0 HD11 LEU A 64 6.893 13.376 1.112 1.00 52.04 H new ATOM 0 HD12 LEU A 64 5.444 13.373 0.079 1.00 52.04 H new ATOM 0 HD13 LEU A 64 5.932 14.862 0.923 1.00 52.04 H new ATOM 0 HD21 LEU A 64 6.677 13.468 3.567 1.00 50.25 H new ATOM 0 HD22 LEU A 64 5.707 14.957 3.476 1.00 50.25 H new ATOM 0 HD23 LEU A 64 5.070 13.531 4.328 1.00 50.25 H new ATOM 1024 N LYS A 65 0.825 12.118 2.332 1.00 31.44 N ATOM 1025 CA LYS A 65 -0.490 11.824 1.774 1.00 45.55 C ATOM 1026 C LYS A 65 -0.705 12.579 0.466 1.00 52.04 C ATOM 1027 O LYS A 65 -1.779 13.132 0.226 1.00 52.40 O ATOM 1028 CB LYS A 65 -1.586 12.194 2.775 1.00 52.42 C ATOM 1029 CG LYS A 65 -1.355 11.630 4.166 1.00 52.11 C ATOM 1030 CD LYS A 65 -1.313 10.111 4.152 1.00 53.23 C ATOM 1031 CE LYS A 65 -1.076 9.547 5.544 1.00 4.11 C ATOM 1032 NZ LYS A 65 -1.039 8.058 5.541 1.00 44.54 N ATOM 0 H LYS A 65 1.389 11.293 2.537 1.00 31.44 H new ATOM 0 HA LYS A 65 -0.540 10.755 1.569 1.00 45.55 H new ATOM 0 HB2 LYS A 65 -1.656 13.280 2.839 1.00 52.42 H new ATOM 0 HB3 LYS A 65 -2.545 11.834 2.401 1.00 52.42 H new ATOM 0 HG2 LYS A 65 -0.418 12.017 4.565 1.00 52.11 H new ATOM 0 HG3 LYS A 65 -2.149 11.967 4.833 1.00 52.11 H new ATOM 0 HD2 LYS A 65 -2.252 9.724 3.756 1.00 53.23 H new ATOM 0 HD3 LYS A 65 -0.522 9.774 3.482 1.00 53.23 H new ATOM 0 HE2 LYS A 65 -0.135 9.933 5.937 1.00 4.11 H new ATOM 0 HE3 LYS A 65 -1.865 9.889 6.214 1.00 4.11 H new ATOM 0 HZ1 LYS A 65 -1.080 7.708 6.519 1.00 44.54 H new ATOM 0 HZ2 LYS A 65 -1.853 7.692 5.008 1.00 44.54 H new ATOM 0 HZ3 LYS A 65 -0.158 7.734 5.094 1.00 44.54 H new ATOM 1046 N LEU A 66 0.321 12.596 -0.378 1.00 52.40 N ATOM 1047 CA LEU A 66 0.243 13.282 -1.663 1.00 70.04 C ATOM 1048 C LEU A 66 -0.137 12.311 -2.776 1.00 70.34 C ATOM 1049 O LEU A 66 0.130 11.112 -2.688 1.00 3.13 O ATOM 1050 CB LEU A 66 1.580 13.951 -1.989 1.00 33.32 C ATOM 1051 CG LEU A 66 1.609 15.476 -1.889 1.00 10.22 C ATOM 1052 CD1 LEU A 66 3.012 16.002 -2.152 1.00 33.42 C ATOM 1053 CD2 LEU A 66 0.615 16.094 -2.862 1.00 21.32 C ATOM 0 H LEU A 66 1.216 12.143 -0.196 1.00 52.40 H new ATOM 0 HA LEU A 66 -0.531 14.046 -1.592 1.00 70.04 H new ATOM 0 HB2 LEU A 66 2.338 13.548 -1.317 1.00 33.32 H new ATOM 0 HB3 LEU A 66 1.868 13.668 -3.001 1.00 33.32 H new ATOM 0 HG LEU A 66 1.320 15.760 -0.877 1.00 10.22 H new ATOM 0 HD11 LEU A 66 3.013 17.089 -2.077 1.00 33.42 H new ATOM 0 HD12 LEU A 66 3.700 15.587 -1.416 1.00 33.42 H new ATOM 0 HD13 LEU A 66 3.329 15.707 -3.152 1.00 33.42 H new ATOM 0 HD21 LEU A 66 0.650 17.180 -2.777 1.00 21.32 H new ATOM 0 HD22 LEU A 66 0.873 15.802 -3.880 1.00 21.32 H new ATOM 0 HD23 LEU A 66 -0.390 15.743 -2.627 1.00 21.32 H new ATOM 1065 N LYS A 67 -0.761 12.836 -3.826 1.00 25.04 N ATOM 1066 CA LYS A 67 -1.175 12.017 -4.959 1.00 3.31 C ATOM 1067 C LYS A 67 0.037 11.502 -5.729 1.00 73.22 C ATOM 1068 O LYS A 67 1.138 12.045 -5.638 1.00 53.21 O ATOM 1069 CB LYS A 67 -2.081 12.823 -5.892 1.00 41.24 C ATOM 1070 CG LYS A 67 -3.560 12.541 -5.697 1.00 15.11 C ATOM 1071 CD LYS A 67 -4.243 13.655 -4.921 1.00 2.20 C ATOM 1072 CE LYS A 67 -5.757 13.561 -5.026 1.00 73.01 C ATOM 1073 NZ LYS A 67 -6.415 14.867 -4.744 1.00 32.34 N ATOM 0 H LYS A 67 -0.991 13.826 -3.915 1.00 25.04 H new ATOM 0 HA LYS A 67 -1.729 11.161 -4.574 1.00 3.31 H new ATOM 0 HB2 LYS A 67 -1.898 13.886 -5.733 1.00 41.24 H new ATOM 0 HB3 LYS A 67 -1.811 12.604 -6.925 1.00 41.24 H new ATOM 0 HG2 LYS A 67 -4.040 12.426 -6.669 1.00 15.11 H new ATOM 0 HG3 LYS A 67 -3.684 11.597 -5.166 1.00 15.11 H new ATOM 0 HD2 LYS A 67 -3.946 13.605 -3.873 1.00 2.20 H new ATOM 0 HD3 LYS A 67 -3.910 14.621 -5.301 1.00 2.20 H new ATOM 0 HE2 LYS A 67 -6.031 13.225 -6.026 1.00 73.01 H new ATOM 0 HE3 LYS A 67 -6.124 12.811 -4.325 1.00 73.01 H new ATOM 0 HZ1 LYS A 67 -7.446 14.761 -4.826 1.00 32.34 H new ATOM 0 HZ2 LYS A 67 -6.174 15.176 -3.781 1.00 32.34 H new ATOM 0 HZ3 LYS A 67 -6.085 15.577 -5.428 1.00 32.34 H new ATOM 1087 N PRO A 68 -0.169 10.429 -6.508 1.00 23.13 N ATOM 1088 CA PRO A 68 0.895 9.818 -7.311 1.00 11.24 C ATOM 1089 C PRO A 68 1.323 10.704 -8.476 1.00 33.22 C ATOM 1090 O PRO A 68 2.501 10.760 -8.824 1.00 41.44 O ATOM 1091 CB PRO A 68 0.253 8.528 -7.827 1.00 1.10 C ATOM 1092 CG PRO A 68 -1.211 8.806 -7.825 1.00 45.03 C ATOM 1093 CD PRO A 68 -1.455 9.730 -6.664 1.00 72.23 C ATOM 0 HA PRO A 68 1.803 9.655 -6.730 1.00 11.24 H new ATOM 0 HB2 PRO A 68 0.608 8.282 -8.828 1.00 1.10 H new ATOM 0 HB3 PRO A 68 0.496 7.681 -7.186 1.00 1.10 H new ATOM 0 HG2 PRO A 68 -1.522 9.267 -8.763 1.00 45.03 H new ATOM 0 HG3 PRO A 68 -1.783 7.884 -7.717 1.00 45.03 H new ATOM 0 HD2 PRO A 68 -2.268 10.426 -6.869 1.00 72.23 H new ATOM 0 HD3 PRO A 68 -1.725 9.180 -5.763 1.00 72.23 H new ATOM 1101 N ASN A 69 0.357 11.394 -9.074 1.00 42.11 N ATOM 1102 CA ASN A 69 0.635 12.277 -10.201 1.00 12.51 C ATOM 1103 C ASN A 69 1.227 13.600 -9.723 1.00 33.35 C ATOM 1104 O ASN A 69 1.795 14.359 -10.508 1.00 1.31 O ATOM 1105 CB ASN A 69 -0.644 12.538 -10.999 1.00 74.50 C ATOM 1106 CG ASN A 69 -1.704 13.247 -10.178 1.00 61.02 C ATOM 1107 OD1 ASN A 69 -1.623 14.454 -9.950 1.00 54.25 O ATOM 1108 ND2 ASN A 69 -2.704 12.498 -9.729 1.00 72.11 N ATOM 0 H ASN A 69 -0.624 11.359 -8.797 1.00 42.11 H new ATOM 0 HA ASN A 69 1.364 11.784 -10.845 1.00 12.51 H new ATOM 0 HB2 ASN A 69 -0.405 13.140 -11.876 1.00 74.50 H new ATOM 0 HB3 ASN A 69 -1.043 11.590 -11.361 1.00 74.50 H new ATOM 0 HD21 ASN A 69 -3.446 12.920 -9.170 1.00 72.11 H new ATOM 0 HD22 ASN A 69 -2.730 11.501 -9.943 1.00 72.11 H new ATOM 1115 N THR A 70 1.090 13.869 -8.428 1.00 1.22 N ATOM 1116 CA THR A 70 1.610 15.099 -7.844 1.00 43.10 C ATOM 1117 C THR A 70 2.878 15.554 -8.558 1.00 72.44 C ATOM 1118 O THR A 70 3.843 14.798 -8.674 1.00 71.12 O ATOM 1119 CB THR A 70 1.915 14.924 -6.344 1.00 55.32 C ATOM 1120 OG1 THR A 70 0.704 14.664 -5.626 1.00 34.52 O ATOM 1121 CG2 THR A 70 2.587 16.167 -5.780 1.00 63.51 C ATOM 0 H THR A 70 0.623 13.251 -7.764 1.00 1.22 H new ATOM 0 HA THR A 70 0.836 15.857 -7.964 1.00 43.10 H new ATOM 0 HB THR A 70 2.594 14.079 -6.230 1.00 55.32 H new ATOM 0 HG1 THR A 70 0.720 13.748 -5.278 1.00 34.52 H new ATOM 0 HG21 THR A 70 2.793 16.020 -4.720 1.00 63.51 H new ATOM 0 HG22 THR A 70 3.523 16.347 -6.310 1.00 63.51 H new ATOM 0 HG23 THR A 70 1.928 17.026 -5.906 1.00 63.51 H new ATOM 1129 N LYS A 71 2.870 16.793 -9.036 1.00 51.51 N ATOM 1130 CA LYS A 71 4.020 17.351 -9.738 1.00 70.21 C ATOM 1131 C LYS A 71 4.904 18.150 -8.786 1.00 15.41 C ATOM 1132 O LYS A 71 4.410 18.789 -7.856 1.00 4.03 O ATOM 1133 CB LYS A 71 3.556 18.244 -10.891 1.00 60.42 C ATOM 1134 CG LYS A 71 2.436 17.636 -11.718 1.00 42.13 C ATOM 1135 CD LYS A 71 1.114 18.344 -11.473 1.00 4.13 C ATOM 1136 CE LYS A 71 0.010 17.785 -12.357 1.00 1.12 C ATOM 1137 NZ LYS A 71 0.254 18.072 -13.798 1.00 3.05 N ATOM 0 H LYS A 71 2.079 17.431 -8.950 1.00 51.51 H new ATOM 0 HA LYS A 71 4.605 16.524 -10.140 1.00 70.21 H new ATOM 0 HB2 LYS A 71 3.221 19.199 -10.487 1.00 60.42 H new ATOM 0 HB3 LYS A 71 4.405 18.453 -11.542 1.00 60.42 H new ATOM 0 HG2 LYS A 71 2.691 17.695 -12.776 1.00 42.13 H new ATOM 0 HG3 LYS A 71 2.334 16.579 -11.473 1.00 42.13 H new ATOM 0 HD2 LYS A 71 0.832 18.238 -10.426 1.00 4.13 H new ATOM 0 HD3 LYS A 71 1.230 19.411 -11.665 1.00 4.13 H new ATOM 0 HE2 LYS A 71 -0.063 16.708 -12.209 1.00 1.12 H new ATOM 0 HE3 LYS A 71 -0.947 18.214 -12.058 1.00 1.12 H new ATOM 0 HZ1 LYS A 71 -0.605 17.860 -14.344 1.00 3.05 H new ATOM 0 HZ2 LYS A 71 0.500 19.076 -13.915 1.00 3.05 H new ATOM 0 HZ3 LYS A 71 1.038 17.481 -14.142 1.00 3.05 H new ATOM 1151 N ILE A 72 6.210 18.112 -9.025 1.00 71.32 N ATOM 1152 CA ILE A 72 7.161 18.835 -8.190 1.00 53.01 C ATOM 1153 C ILE A 72 7.873 19.925 -8.985 1.00 33.52 C ATOM 1154 O ILE A 72 8.421 19.667 -10.056 1.00 3.41 O ATOM 1155 CB ILE A 72 8.212 17.887 -7.584 1.00 4.11 C ATOM 1156 CG1 ILE A 72 7.528 16.768 -6.797 1.00 23.34 C ATOM 1157 CG2 ILE A 72 9.171 18.661 -6.691 1.00 33.11 C ATOM 1158 CD1 ILE A 72 6.612 17.271 -5.703 1.00 23.20 C ATOM 0 H ILE A 72 6.634 17.588 -9.790 1.00 71.32 H new ATOM 0 HA ILE A 72 6.589 19.293 -7.383 1.00 53.01 H new ATOM 0 HB ILE A 72 8.785 17.437 -8.395 1.00 4.11 H new ATOM 0 HG12 ILE A 72 6.952 16.150 -7.486 1.00 23.34 H new ATOM 0 HG13 ILE A 72 8.291 16.127 -6.355 1.00 23.34 H new ATOM 0 HG21 ILE A 72 9.908 17.977 -6.270 1.00 33.11 H new ATOM 0 HG22 ILE A 72 9.679 19.425 -7.279 1.00 33.11 H new ATOM 0 HG23 ILE A 72 8.613 19.136 -5.884 1.00 33.11 H new ATOM 0 HD11 ILE A 72 6.162 16.423 -5.187 1.00 23.20 H new ATOM 0 HD12 ILE A 72 7.186 17.865 -4.992 1.00 23.20 H new ATOM 0 HD13 ILE A 72 5.827 17.888 -6.141 1.00 23.20 H new ATOM 1170 N MET A 73 7.861 21.142 -8.451 1.00 70.35 N ATOM 1171 CA MET A 73 8.509 22.270 -9.110 1.00 14.41 C ATOM 1172 C MET A 73 9.876 22.547 -8.494 1.00 44.20 C ATOM 1173 O MET A 73 10.054 22.441 -7.281 1.00 31.10 O ATOM 1174 CB MET A 73 7.630 23.519 -9.011 1.00 73.21 C ATOM 1175 CG MET A 73 6.273 23.361 -9.679 1.00 3.40 C ATOM 1176 SD MET A 73 5.061 24.554 -9.080 1.00 4.35 S ATOM 1177 CE MET A 73 3.551 23.875 -9.762 1.00 22.43 C ATOM 0 H MET A 73 7.410 21.372 -7.565 1.00 70.35 H new ATOM 0 HA MET A 73 8.648 22.014 -10.160 1.00 14.41 H new ATOM 0 HB2 MET A 73 7.482 23.767 -7.960 1.00 73.21 H new ATOM 0 HB3 MET A 73 8.154 24.359 -9.466 1.00 73.21 H new ATOM 0 HG2 MET A 73 6.387 23.475 -10.757 1.00 3.40 H new ATOM 0 HG3 MET A 73 5.901 22.352 -9.503 1.00 3.40 H new ATOM 0 HE1 MET A 73 3.018 24.652 -10.310 1.00 22.43 H new ATOM 0 HE2 MET A 73 3.794 23.055 -10.438 1.00 22.43 H new ATOM 0 HE3 MET A 73 2.921 23.504 -8.953 1.00 22.43 H new ATOM 1187 N MET A 74 10.840 22.902 -9.338 1.00 55.31 N ATOM 1188 CA MET A 74 12.191 23.195 -8.875 1.00 41.13 C ATOM 1189 C MET A 74 12.715 24.481 -9.507 1.00 23.04 C ATOM 1190 O MET A 74 12.849 24.575 -10.726 1.00 60.43 O ATOM 1191 CB MET A 74 13.129 22.032 -9.205 1.00 1.22 C ATOM 1192 CG MET A 74 12.622 20.685 -8.716 1.00 52.14 C ATOM 1193 SD MET A 74 13.311 19.304 -9.648 1.00 73.14 S ATOM 1194 CE MET A 74 13.845 18.231 -8.318 1.00 23.32 C ATOM 0 H MET A 74 10.710 22.994 -10.346 1.00 55.31 H new ATOM 0 HA MET A 74 12.157 23.330 -7.794 1.00 41.13 H new ATOM 0 HB2 MET A 74 13.273 21.987 -10.285 1.00 1.22 H new ATOM 0 HB3 MET A 74 14.105 22.226 -8.761 1.00 1.22 H new ATOM 0 HG2 MET A 74 12.873 20.568 -7.662 1.00 52.14 H new ATOM 0 HG3 MET A 74 11.535 20.662 -8.790 1.00 52.14 H new ATOM 0 HE1 MET A 74 14.404 17.391 -8.730 1.00 23.32 H new ATOM 0 HE2 MET A 74 14.483 18.790 -7.633 1.00 23.32 H new ATOM 0 HE3 MET A 74 12.974 17.858 -7.780 1.00 23.32 H new ATOM 1204 N MET A 75 13.010 25.469 -8.668 1.00 50.12 N ATOM 1205 CA MET A 75 13.520 26.749 -9.145 1.00 44.14 C ATOM 1206 C MET A 75 15.010 26.886 -8.847 1.00 61.33 C ATOM 1207 O MET A 75 15.434 26.787 -7.697 1.00 2.34 O ATOM 1208 CB MET A 75 12.751 27.902 -8.498 1.00 40.45 C ATOM 1209 CG MET A 75 11.287 27.958 -8.902 1.00 53.44 C ATOM 1210 SD MET A 75 10.937 29.291 -10.066 1.00 5.14 S ATOM 1211 CE MET A 75 11.134 28.437 -11.628 1.00 4.42 C ATOM 0 H MET A 75 12.905 25.408 -7.655 1.00 50.12 H new ATOM 0 HA MET A 75 13.378 26.788 -10.225 1.00 44.14 H new ATOM 0 HB2 MET A 75 12.817 27.809 -7.414 1.00 40.45 H new ATOM 0 HB3 MET A 75 13.230 28.844 -8.767 1.00 40.45 H new ATOM 0 HG2 MET A 75 11.001 27.006 -9.349 1.00 53.44 H new ATOM 0 HG3 MET A 75 10.673 28.089 -8.011 1.00 53.44 H new ATOM 0 HE1 MET A 75 10.880 29.111 -12.446 1.00 4.42 H new ATOM 0 HE2 MET A 75 12.168 28.109 -11.735 1.00 4.42 H new ATOM 0 HE3 MET A 75 10.474 27.570 -11.655 1.00 4.42 H new ATOM 1221 N GLY A 76 15.800 27.113 -9.892 1.00 62.34 N ATOM 1222 CA GLY A 76 17.234 27.258 -9.721 1.00 12.42 C ATOM 1223 C GLY A 76 17.995 27.072 -11.018 1.00 60.42 C ATOM 1224 O GLY A 76 17.439 27.243 -12.104 1.00 22.52 O ATOM 0 H GLY A 76 15.472 27.199 -10.854 1.00 62.34 H new ATOM 0 HA2 GLY A 76 17.450 28.246 -9.315 1.00 12.42 H new ATOM 0 HA3 GLY A 76 17.585 26.530 -8.990 1.00 12.42 H new ATOM 1228 N THR A 77 19.273 26.721 -10.908 1.00 33.12 N ATOM 1229 CA THR A 77 20.112 26.514 -12.081 1.00 24.32 C ATOM 1230 C THR A 77 20.929 25.232 -11.953 1.00 55.54 C ATOM 1231 O THR A 77 21.298 24.828 -10.851 1.00 20.20 O ATOM 1232 CB THR A 77 21.071 27.699 -12.302 1.00 54.33 C ATOM 1233 OG1 THR A 77 22.024 27.375 -13.321 1.00 14.32 O ATOM 1234 CG2 THR A 77 21.798 28.055 -11.015 1.00 1.04 C ATOM 0 H THR A 77 19.749 26.574 -10.018 1.00 33.12 H new ATOM 0 HA THR A 77 19.443 26.432 -12.938 1.00 24.32 H new ATOM 0 HB THR A 77 20.482 28.560 -12.617 1.00 54.33 H new ATOM 0 HG1 THR A 77 22.629 28.134 -13.456 1.00 14.32 H new ATOM 0 HG21 THR A 77 22.469 28.894 -11.197 1.00 1.04 H new ATOM 0 HG22 THR A 77 21.071 28.330 -10.251 1.00 1.04 H new ATOM 0 HG23 THR A 77 22.376 27.196 -10.674 1.00 1.04 H new ATOM 1242 N ARG A 78 21.207 24.599 -13.088 1.00 21.43 N ATOM 1243 CA ARG A 78 21.980 23.362 -13.102 1.00 53.32 C ATOM 1244 C ARG A 78 23.423 23.618 -12.677 1.00 73.11 C ATOM 1245 O ARG A 78 23.933 24.728 -12.818 1.00 3.50 O ATOM 1246 CB ARG A 78 21.951 22.734 -14.497 1.00 2.41 C ATOM 1247 CG ARG A 78 20.756 21.825 -14.731 1.00 51.34 C ATOM 1248 CD ARG A 78 19.689 22.513 -15.569 1.00 31.12 C ATOM 1249 NE ARG A 78 19.755 22.117 -16.973 1.00 25.31 N ATOM 1250 CZ ARG A 78 19.218 22.822 -17.962 1.00 10.22 C ATOM 1251 NH1 ARG A 78 18.578 23.954 -17.702 1.00 30.24 N ATOM 1252 NH2 ARG A 78 19.321 22.396 -19.214 1.00 54.23 N ATOM 0 H ARG A 78 20.909 24.921 -14.009 1.00 21.43 H new ATOM 0 HA ARG A 78 21.527 22.671 -12.391 1.00 53.32 H new ATOM 0 HB2 ARG A 78 21.944 23.528 -15.244 1.00 2.41 H new ATOM 0 HB3 ARG A 78 22.867 22.162 -14.648 1.00 2.41 H new ATOM 0 HG2 ARG A 78 21.083 20.914 -15.232 1.00 51.34 H new ATOM 0 HG3 ARG A 78 20.331 21.526 -13.773 1.00 51.34 H new ATOM 0 HD2 ARG A 78 18.704 22.272 -15.170 1.00 31.12 H new ATOM 0 HD3 ARG A 78 19.808 23.594 -15.491 1.00 31.12 H new ATOM 0 HE ARG A 78 20.240 21.251 -17.207 1.00 25.31 H new ATOM 0 HH11 ARG A 78 18.497 24.285 -16.741 1.00 30.24 H new ATOM 0 HH12 ARG A 78 18.166 24.494 -18.463 1.00 30.24 H new ATOM 0 HH21 ARG A 78 19.813 21.526 -19.418 1.00 54.23 H new ATOM 0 HH22 ARG A 78 18.908 22.938 -19.973 1.00 54.23 H new ATOM 1266 N GLU A 79 24.073 22.582 -12.156 1.00 41.11 N ATOM 1267 CA GLU A 79 25.456 22.696 -11.709 1.00 65.14 C ATOM 1268 C GLU A 79 26.411 22.739 -12.899 1.00 73.24 C ATOM 1269 O GLU A 79 25.992 22.599 -14.048 1.00 64.11 O ATOM 1270 CB GLU A 79 25.818 21.525 -10.794 1.00 21.43 C ATOM 1271 CG GLU A 79 25.511 21.781 -9.328 1.00 31.32 C ATOM 1272 CD GLU A 79 25.967 20.648 -8.429 1.00 64.55 C ATOM 1273 OE1 GLU A 79 26.221 19.542 -8.951 1.00 24.21 O ATOM 1274 OE2 GLU A 79 26.071 20.867 -7.204 1.00 53.44 O ATOM 0 H GLU A 79 23.664 21.655 -12.033 1.00 41.11 H new ATOM 0 HA GLU A 79 25.555 23.628 -11.152 1.00 65.14 H new ATOM 0 HB2 GLU A 79 25.275 20.638 -11.121 1.00 21.43 H new ATOM 0 HB3 GLU A 79 26.880 21.306 -10.901 1.00 21.43 H new ATOM 0 HG2 GLU A 79 25.996 22.706 -9.015 1.00 31.32 H new ATOM 0 HG3 GLU A 79 24.438 21.927 -9.206 1.00 31.32 H new ATOM 1281 N GLU A 80 27.694 22.934 -12.614 1.00 65.15 N ATOM 1282 CA GLU A 80 28.708 22.997 -13.661 1.00 74.33 C ATOM 1283 C GLU A 80 28.787 21.676 -14.421 1.00 63.13 C ATOM 1284 O GLU A 80 28.875 21.658 -15.649 1.00 14.10 O ATOM 1285 CB GLU A 80 30.073 23.335 -13.060 1.00 45.23 C ATOM 1286 CG GLU A 80 30.645 24.654 -13.552 1.00 40.23 C ATOM 1287 CD GLU A 80 31.503 25.344 -12.509 1.00 72.31 C ATOM 1288 OE1 GLU A 80 30.933 25.941 -11.572 1.00 41.34 O ATOM 1289 OE2 GLU A 80 32.744 25.285 -12.630 1.00 5.10 O ATOM 0 H GLU A 80 28.056 23.051 -11.668 1.00 65.15 H new ATOM 0 HA GLU A 80 28.423 23.783 -14.361 1.00 74.33 H new ATOM 0 HB2 GLU A 80 29.984 23.370 -11.974 1.00 45.23 H new ATOM 0 HB3 GLU A 80 30.773 22.534 -13.297 1.00 45.23 H new ATOM 0 HG2 GLU A 80 31.241 24.476 -14.447 1.00 40.23 H new ATOM 0 HG3 GLU A 80 29.828 25.315 -13.840 1.00 40.23 H new ATOM 1296 N SER A 81 28.757 20.572 -13.682 1.00 23.32 N ATOM 1297 CA SER A 81 28.831 19.246 -14.285 1.00 34.15 C ATOM 1298 C SER A 81 30.070 19.117 -15.164 1.00 64.22 C ATOM 1299 O SER A 81 31.179 19.044 -14.637 1.00 3.32 O ATOM 1300 CB SER A 81 27.574 18.968 -15.111 1.00 54.23 C ATOM 1301 OG SER A 81 26.878 17.837 -14.617 1.00 71.22 O ATOM 0 H SER A 81 28.682 20.569 -12.665 1.00 23.32 H new ATOM 0 HA SER A 81 28.899 18.512 -13.482 1.00 34.15 H new ATOM 0 HB2 SER A 81 26.920 19.840 -15.088 1.00 54.23 H new ATOM 0 HB3 SER A 81 27.849 18.803 -16.153 1.00 54.23 H new ATOM 0 HG SER A 81 26.078 17.682 -15.161 1.00 71.22 H new HETATM 1307 N NH2 A 90 29.858 19.091 -16.472 1.00 2.13 N TER 1309 NH2 A 90