USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 GLN : amide:sc= 0.0404 X(o=0.056,f=-0.099) USER MOD Set 1.2: A 77 THR OG1 : rot 59:sc= 0.0161 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0 (180deg=-0.309) USER MOD Single : A 5 MET CE :methyl 159:sc= -4.9! (180deg=-5.53!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 18 THR OG1 : rot -36:sc= -1.88! USER MOD Single : A 20 SER OG : rot 180:sc= 0.0015 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.106 (180deg=-0.55) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -18:sc= 0.149 USER MOD Single : A 36 THR OG1 : rot -63:sc= -0.494 USER MOD Single : A 43 GLN : amide:sc= -3.4 K(o=-3.4,f=-7.1!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0243) 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= -0.357 X(o=-0.36,f=-0.41) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 129:sc= -0.406 (180deg=-1.66!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0842 K(o=-0.084,f=-0.59) USER MOD Single : A 70 THR OG1 : rot -88:sc= 0.596 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -134:sc= -0.712 (180deg=-3.74!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc=1.71e-05 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.177 -0.132 -0.124 1.00 0.00 N ATOM 2 CA MET A 1 1.920 -0.512 -1.320 1.00 0.00 C ATOM 3 C MET A 1 3.389 -0.759 -0.992 1.00 0.00 C ATOM 4 O MET A 1 3.911 -0.236 -0.008 1.00 0.00 O ATOM 5 CB MET A 1 1.799 0.576 -2.388 1.00 0.00 C ATOM 6 CG MET A 1 0.383 1.102 -2.562 1.00 0.00 C ATOM 7 SD MET A 1 0.161 1.999 -4.111 1.00 0.00 S ATOM 8 CE MET A 1 -0.580 3.518 -3.519 1.00 0.00 C ATOM 0 H1 MET A 1 0.157 -0.216 -0.308 1.00 0.00 H new ATOM 0 H2 MET A 1 1.440 -0.760 0.662 1.00 0.00 H new ATOM 0 H3 MET A 1 1.404 0.851 0.128 1.00 0.00 H new ATOM 0 HA MET A 1 1.492 -1.438 -1.705 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.456 1.405 -2.126 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.150 0.179 -3.341 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.317 0.268 -2.526 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.139 1.759 -1.728 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.778 4.179 -4.363 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.516 3.291 -3.009 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.102 4.009 -2.825 1.00 0.00 H new ATOM 18 N ALA A 2 4.050 -1.559 -1.823 1.00 0.00 N ATOM 19 CA ALA A 2 5.459 -1.872 -1.622 1.00 0.00 C ATOM 20 C ALA A 2 6.336 -1.121 -2.617 1.00 0.00 C ATOM 21 O ALA A 2 6.123 -1.197 -3.828 1.00 0.00 O ATOM 22 CB ALA A 2 5.688 -3.372 -1.740 1.00 0.00 C ATOM 0 H ALA A 2 3.632 -2.002 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 2 5.738 -1.551 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.745 -3.592 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.097 -3.891 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.387 -3.709 -2.732 1.00 0.00 H new ATOM 28 N LEU A 3 7.322 -0.396 -2.101 1.00 0.00 N ATOM 29 CA LEU A 3 8.232 0.370 -2.945 1.00 0.00 C ATOM 30 C LEU A 3 9.611 -0.280 -2.990 1.00 0.00 C ATOM 31 O LEU A 3 10.098 -0.829 -2.001 1.00 0.00 O ATOM 32 CB LEU A 3 8.349 1.806 -2.431 1.00 0.00 C ATOM 33 CG LEU A 3 7.039 2.480 -2.021 1.00 0.00 C ATOM 34 CD1 LEU A 3 6.673 2.110 -0.592 1.00 0.00 C ATOM 35 CD2 LEU A 3 7.147 3.991 -2.172 1.00 0.00 C ATOM 0 H LEU A 3 7.512 -0.322 -1.102 1.00 0.00 H new ATOM 0 HA LEU A 3 7.825 0.384 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.021 1.810 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.819 2.411 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 3 6.247 2.124 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.738 2.599 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.554 1.029 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.465 2.436 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.206 4.454 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.951 4.364 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.362 4.238 -3.212 1.00 0.00 H new ATOM 47 N PRO A 4 10.258 -0.216 -4.163 1.00 0.00 N ATOM 48 CA PRO A 4 11.592 -0.790 -4.364 1.00 0.00 C ATOM 49 C PRO A 4 12.674 -0.021 -3.613 1.00 0.00 C ATOM 50 O PRO A 4 13.440 0.733 -4.211 1.00 0.00 O ATOM 51 CB PRO A 4 11.804 -0.674 -5.875 1.00 0.00 C ATOM 52 CG PRO A 4 10.935 0.461 -6.294 1.00 0.00 C ATOM 53 CD PRO A 4 9.738 0.424 -5.383 1.00 0.00 C ATOM 0 HA PRO A 4 11.657 -1.811 -3.988 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.850 -0.481 -6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.525 -1.596 -6.386 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.463 1.410 -6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.635 0.359 -7.337 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.356 1.425 -5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.919 -0.148 -5.819 1.00 0.00 H new ATOM 61 N MET A 5 12.730 -0.218 -2.300 1.00 0.00 N ATOM 62 CA MET A 5 13.720 0.456 -1.468 1.00 0.00 C ATOM 63 C MET A 5 14.576 -0.556 -0.714 1.00 0.00 C ATOM 64 O MET A 5 14.255 -1.743 -0.669 1.00 0.00 O ATOM 65 CB MET A 5 13.030 1.397 -0.479 1.00 0.00 C ATOM 66 CG MET A 5 11.665 1.875 -0.945 1.00 0.00 C ATOM 67 SD MET A 5 10.887 3.004 0.225 1.00 0.00 S ATOM 68 CE MET A 5 9.869 1.869 1.166 1.00 0.00 C ATOM 0 H MET A 5 12.102 -0.839 -1.789 1.00 0.00 H new ATOM 0 HA MET A 5 14.370 1.040 -2.120 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.920 0.887 0.478 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.670 2.263 -0.307 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.768 2.372 -1.909 1.00 0.00 H new ATOM 0 HG3 MET A 5 11.016 1.013 -1.099 1.00 0.00 H new ATOM 0 HE1 MET A 5 9.623 2.314 2.130 1.00 0.00 H new ATOM 0 HE2 MET A 5 8.950 1.663 0.617 1.00 0.00 H new ATOM 0 HE3 MET A 5 10.413 0.938 1.325 1.00 0.00 H new ATOM 78 N ILE A 6 15.667 -0.078 -0.123 1.00 0.00 N ATOM 79 CA ILE A 6 16.568 -0.941 0.630 1.00 0.00 C ATOM 80 C ILE A 6 16.452 -0.684 2.128 1.00 0.00 C ATOM 81 O ILE A 6 16.344 0.462 2.566 1.00 0.00 O ATOM 82 CB ILE A 6 18.032 -0.740 0.197 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.182 -0.987 -1.305 1.00 0.00 C ATOM 84 CG2 ILE A 6 18.949 -1.664 0.986 1.00 0.00 C ATOM 85 CD1 ILE A 6 19.551 -0.633 -1.843 1.00 0.00 C ATOM 0 H ILE A 6 15.948 0.902 -0.152 1.00 0.00 H new ATOM 0 HA ILE A 6 16.273 -1.968 0.417 1.00 0.00 H new ATOM 0 HB ILE A 6 18.319 0.291 0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.979 -2.037 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.430 -0.405 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.980 -1.511 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.860 -1.444 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.664 -2.700 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.584 -0.834 -2.914 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.749 0.424 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.307 -1.234 -1.338 1.00 0.00 H new ATOM 97 N VAL A 7 16.477 -1.757 2.911 1.00 0.00 N ATOM 98 CA VAL A 7 16.378 -1.648 4.362 1.00 0.00 C ATOM 99 C VAL A 7 17.744 -1.808 5.020 1.00 0.00 C ATOM 100 O VAL A 7 18.508 -2.712 4.679 1.00 0.00 O ATOM 101 CB VAL A 7 15.416 -2.703 4.940 1.00 0.00 C ATOM 102 CG1 VAL A 7 15.755 -4.086 4.405 1.00 0.00 C ATOM 103 CG2 VAL A 7 15.457 -2.685 6.460 1.00 0.00 C ATOM 0 H VAL A 7 16.565 -2.713 2.565 1.00 0.00 H new ATOM 0 HA VAL A 7 15.988 -0.654 4.578 1.00 0.00 H new ATOM 0 HB VAL A 7 14.402 -2.457 4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 7 15.065 -4.818 4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.669 -4.087 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.775 -4.346 4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.771 -3.437 6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.469 -2.905 6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.160 -1.700 6.820 1.00 0.00 H new ATOM 113 N LYS A 8 18.046 -0.925 5.965 1.00 0.00 N ATOM 114 CA LYS A 8 19.320 -0.967 6.674 1.00 0.00 C ATOM 115 C LYS A 8 19.121 -0.715 8.165 1.00 0.00 C ATOM 116 O LYS A 8 19.531 0.322 8.688 1.00 0.00 O ATOM 117 CB LYS A 8 20.285 0.069 6.094 1.00 0.00 C ATOM 118 CG LYS A 8 20.344 0.063 4.576 1.00 0.00 C ATOM 119 CD LYS A 8 21.580 0.783 4.063 1.00 0.00 C ATOM 120 CE LYS A 8 21.419 2.293 4.144 1.00 0.00 C ATOM 121 NZ LYS A 8 22.702 3.002 3.881 1.00 0.00 N ATOM 0 H LYS A 8 17.425 -0.170 6.258 1.00 0.00 H new ATOM 0 HA LYS A 8 19.746 -1.962 6.546 1.00 0.00 H new ATOM 0 HB2 LYS A 8 19.987 1.061 6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.284 -0.116 6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.345 -0.966 4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.450 0.541 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.449 0.477 4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.770 0.491 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.670 2.618 3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.049 2.566 5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.551 4.029 3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.410 2.712 4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 23.043 2.761 2.928 1.00 0.00 H new ATOM 135 N TRP A 9 18.493 -1.668 8.843 1.00 0.00 N ATOM 136 CA TRP A 9 18.242 -1.548 10.275 1.00 0.00 C ATOM 137 C TRP A 9 19.426 -2.071 11.081 1.00 0.00 C ATOM 138 O TRP A 9 19.271 -2.940 11.938 1.00 0.00 O ATOM 139 CB TRP A 9 16.973 -2.312 10.657 1.00 0.00 C ATOM 140 CG TRP A 9 16.533 -2.064 12.068 1.00 0.00 C ATOM 141 CD1 TRP A 9 16.248 -3.006 13.015 1.00 0.00 C ATOM 142 CD2 TRP A 9 16.325 -0.791 12.690 1.00 0.00 C ATOM 143 NE1 TRP A 9 15.876 -2.396 14.188 1.00 0.00 N ATOM 144 CE2 TRP A 9 15.916 -1.037 14.015 1.00 0.00 C ATOM 145 CE3 TRP A 9 16.446 0.532 12.257 1.00 0.00 C ATOM 146 CZ2 TRP A 9 15.627 -0.009 14.908 1.00 0.00 C ATOM 147 CZ3 TRP A 9 16.159 1.552 13.144 1.00 0.00 C ATOM 148 CH2 TRP A 9 15.754 1.277 14.457 1.00 0.00 C ATOM 0 H TRP A 9 18.148 -2.532 8.425 1.00 0.00 H new ATOM 0 HA TRP A 9 18.106 -0.492 10.507 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.169 -2.029 9.978 1.00 0.00 H new ATOM 0 HB3 TRP A 9 17.145 -3.380 10.520 1.00 0.00 H new ATOM 0 HD1 TRP A 9 16.307 -4.074 12.864 1.00 0.00 H new ATOM 0 HE1 TRP A 9 15.613 -2.876 15.048 1.00 0.00 H new ATOM 0 HE3 TRP A 9 16.758 0.753 11.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 15.314 -0.219 15.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 16.248 2.578 12.820 1.00 0.00 H new ATOM 0 HH2 TRP A 9 15.538 2.096 15.127 1.00 0.00 H new ATOM 159 N GLY A 10 20.611 -1.535 10.800 1.00 0.00 N ATOM 160 CA GLY A 10 21.804 -1.960 11.508 1.00 0.00 C ATOM 161 C GLY A 10 22.106 -3.432 11.303 1.00 0.00 C ATOM 162 O GLY A 10 22.700 -3.816 10.297 1.00 0.00 O ATOM 0 H GLY A 10 20.765 -0.814 10.095 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.654 -1.367 11.170 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.681 -1.762 12.573 1.00 0.00 H new ATOM 166 N GLY A 11 21.698 -4.258 12.262 1.00 0.00 N ATOM 167 CA GLY A 11 21.939 -5.685 12.164 1.00 0.00 C ATOM 168 C GLY A 11 21.357 -6.286 10.900 1.00 0.00 C ATOM 169 O GLY A 11 22.020 -7.061 10.211 1.00 0.00 O ATOM 0 H GLY A 11 21.205 -3.964 13.105 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.013 -5.872 12.190 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.507 -6.184 13.032 1.00 0.00 H new ATOM 173 N GLN A 12 20.113 -5.929 10.595 1.00 0.00 N ATOM 174 CA GLN A 12 19.442 -6.441 9.406 1.00 0.00 C ATOM 175 C GLN A 12 19.467 -5.412 8.281 1.00 0.00 C ATOM 176 O GLN A 12 18.852 -4.351 8.383 1.00 0.00 O ATOM 177 CB GLN A 12 17.996 -6.819 9.734 1.00 0.00 C ATOM 178 CG GLN A 12 17.877 -7.928 10.767 1.00 0.00 C ATOM 179 CD GLN A 12 16.637 -7.792 11.629 1.00 0.00 C ATOM 180 OE1 GLN A 12 16.310 -6.702 12.098 1.00 0.00 O ATOM 181 NE2 GLN A 12 15.939 -8.902 11.842 1.00 0.00 N ATOM 0 H GLN A 12 19.550 -5.288 11.154 1.00 0.00 H new ATOM 0 HA GLN A 12 19.977 -7.330 9.073 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.472 -5.936 10.099 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.494 -7.131 8.818 1.00 0.00 H new ATOM 0 HG2 GLN A 12 17.858 -8.892 10.259 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.761 -7.922 11.405 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.247 -9.784 11.433 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.095 -8.872 12.414 1.00 0.00 H new ATOM 190 N GLU A 13 20.185 -5.732 7.209 1.00 0.00 N ATOM 191 CA GLU A 13 20.291 -4.834 6.065 1.00 0.00 C ATOM 192 C GLU A 13 19.956 -5.563 4.767 1.00 0.00 C ATOM 193 O GLU A 13 20.844 -5.899 3.983 1.00 0.00 O ATOM 194 CB GLU A 13 21.701 -4.244 5.981 1.00 0.00 C ATOM 195 CG GLU A 13 21.836 -3.135 4.952 1.00 0.00 C ATOM 196 CD GLU A 13 23.270 -2.923 4.507 1.00 0.00 C ATOM 197 OE1 GLU A 13 24.000 -2.179 5.195 1.00 0.00 O ATOM 198 OE2 GLU A 13 23.662 -3.501 3.472 1.00 0.00 O ATOM 0 H GLU A 13 20.702 -6.606 7.109 1.00 0.00 H new ATOM 0 HA GLU A 13 19.573 -4.026 6.203 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.982 -3.856 6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.405 -5.040 5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.222 -3.373 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 13 21.449 -2.206 5.371 1.00 0.00 H new ATOM 205 N TYR A 14 18.668 -5.805 4.548 1.00 0.00 N ATOM 206 CA TYR A 14 18.214 -6.497 3.348 1.00 0.00 C ATOM 207 C TYR A 14 17.867 -5.503 2.244 1.00 0.00 C ATOM 208 O TYR A 14 18.161 -4.312 2.351 1.00 0.00 O ATOM 209 CB TYR A 14 16.998 -7.369 3.665 1.00 0.00 C ATOM 210 CG TYR A 14 17.052 -8.739 3.028 1.00 0.00 C ATOM 211 CD1 TYR A 14 18.154 -9.566 3.206 1.00 0.00 C ATOM 212 CD2 TYR A 14 16.002 -9.206 2.247 1.00 0.00 C ATOM 213 CE1 TYR A 14 18.208 -10.819 2.625 1.00 0.00 C ATOM 214 CE2 TYR A 14 16.047 -10.457 1.664 1.00 0.00 C ATOM 215 CZ TYR A 14 17.152 -11.260 1.855 1.00 0.00 C ATOM 216 OH TYR A 14 17.201 -12.506 1.275 1.00 0.00 O ATOM 0 H TYR A 14 17.920 -5.532 5.186 1.00 0.00 H new ATOM 0 HA TYR A 14 19.027 -7.133 2.997 1.00 0.00 H new ATOM 0 HB2 TYR A 14 16.915 -7.483 4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 14 16.097 -6.857 3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.983 -9.224 3.809 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.136 -8.580 2.093 1.00 0.00 H new ATOM 0 HE1 TYR A 14 19.072 -11.449 2.773 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.221 -10.805 1.061 1.00 0.00 H new ATOM 0 HH TYR A 14 16.378 -12.663 0.767 1.00 0.00 H new ATOM 226 N SER A 15 17.239 -6.001 1.183 1.00 0.00 N ATOM 227 CA SER A 15 16.854 -5.158 0.057 1.00 0.00 C ATOM 228 C SER A 15 15.387 -5.371 -0.303 1.00 0.00 C ATOM 229 O SER A 15 15.010 -6.416 -0.833 1.00 0.00 O ATOM 230 CB SER A 15 17.737 -5.457 -1.156 1.00 0.00 C ATOM 231 OG SER A 15 18.137 -6.816 -1.174 1.00 0.00 O ATOM 0 H SER A 15 16.986 -6.984 1.080 1.00 0.00 H new ATOM 0 HA SER A 15 16.991 -4.117 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.194 -5.223 -2.072 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.618 -4.816 -1.135 1.00 0.00 H new ATOM 0 HG SER A 15 18.699 -6.981 -1.960 1.00 0.00 H new ATOM 237 N VAL A 16 14.562 -4.370 -0.011 1.00 0.00 N ATOM 238 CA VAL A 16 13.135 -4.445 -0.304 1.00 0.00 C ATOM 239 C VAL A 16 12.829 -3.887 -1.690 1.00 0.00 C ATOM 240 O VAL A 16 11.897 -3.101 -1.863 1.00 0.00 O ATOM 241 CB VAL A 16 12.306 -3.676 0.742 1.00 0.00 C ATOM 242 CG1 VAL A 16 10.830 -4.019 0.609 1.00 0.00 C ATOM 243 CG2 VAL A 16 12.808 -3.979 2.145 1.00 0.00 C ATOM 0 H VAL A 16 14.857 -3.498 0.428 1.00 0.00 H new ATOM 0 HA VAL A 16 12.860 -5.499 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 16 12.424 -2.608 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.259 -3.467 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.482 -3.748 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.690 -5.089 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 16 12.211 -3.428 2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.721 -5.048 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.852 -3.679 2.230 1.00 0.00 H new ATOM 253 N THR A 17 13.621 -4.298 -2.676 1.00 0.00 N ATOM 254 CA THR A 17 13.435 -3.838 -4.046 1.00 0.00 C ATOM 255 C THR A 17 12.185 -4.451 -4.667 1.00 0.00 C ATOM 256 O THR A 17 11.534 -5.306 -4.065 1.00 0.00 O ATOM 257 CB THR A 17 14.653 -4.185 -4.924 1.00 0.00 C ATOM 258 OG1 THR A 17 14.501 -3.603 -6.224 1.00 0.00 O ATOM 259 CG2 THR A 17 14.816 -5.692 -5.053 1.00 0.00 C ATOM 0 H THR A 17 14.397 -4.948 -2.551 1.00 0.00 H new ATOM 0 HA THR A 17 13.322 -2.755 -4.004 1.00 0.00 H new ATOM 0 HB THR A 17 15.545 -3.779 -4.446 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.280 -3.826 -6.776 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.682 -5.912 -5.677 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.961 -6.128 -4.065 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.922 -6.117 -5.510 1.00 0.00 H new ATOM 267 N THR A 18 11.853 -4.009 -5.876 1.00 0.00 N ATOM 268 CA THR A 18 10.679 -4.513 -6.578 1.00 0.00 C ATOM 269 C THR A 18 11.058 -5.619 -7.558 1.00 0.00 C ATOM 270 O THR A 18 10.190 -6.244 -8.169 1.00 0.00 O ATOM 271 CB THR A 18 9.957 -3.389 -7.345 1.00 0.00 C ATOM 272 OG1 THR A 18 8.705 -3.866 -7.849 1.00 0.00 O ATOM 273 CG2 THR A 18 10.813 -2.883 -8.496 1.00 0.00 C ATOM 0 H THR A 18 12.381 -3.303 -6.389 1.00 0.00 H new ATOM 0 HA THR A 18 10.006 -4.916 -5.821 1.00 0.00 H new ATOM 0 HB THR A 18 9.780 -2.564 -6.655 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.796 -4.804 -8.117 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.282 -2.090 -9.023 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.753 -2.494 -8.106 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.017 -3.702 -9.185 1.00 0.00 H new ATOM 281 N LEU A 19 12.357 -5.855 -7.702 1.00 0.00 N ATOM 282 CA LEU A 19 12.850 -6.887 -8.608 1.00 0.00 C ATOM 283 C LEU A 19 12.605 -6.498 -10.062 1.00 0.00 C ATOM 284 O LEU A 19 12.115 -5.406 -10.349 1.00 0.00 O ATOM 285 CB LEU A 19 12.174 -8.225 -8.305 1.00 0.00 C ATOM 286 CG LEU A 19 11.951 -8.545 -6.826 1.00 0.00 C ATOM 287 CD1 LEU A 19 11.007 -9.728 -6.672 1.00 0.00 C ATOM 288 CD2 LEU A 19 13.277 -8.824 -6.135 1.00 0.00 C ATOM 0 H LEU A 19 13.088 -5.347 -7.204 1.00 0.00 H new ATOM 0 HA LEU A 19 13.924 -6.987 -8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.208 -8.244 -8.810 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.777 -9.021 -8.741 1.00 0.00 H new ATOM 0 HG LEU A 19 11.493 -7.677 -6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.860 -9.941 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.047 -9.490 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.436 -10.602 -7.162 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.099 -9.050 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.764 -9.675 -6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.920 -7.947 -6.214 1.00 0.00 H new ATOM 300 N SER A 20 12.947 -7.401 -10.976 1.00 0.00 N ATOM 301 CA SER A 20 12.765 -7.151 -12.402 1.00 0.00 C ATOM 302 C SER A 20 11.290 -7.230 -12.783 1.00 0.00 C ATOM 303 O SER A 20 10.481 -7.809 -12.059 1.00 0.00 O ATOM 304 CB SER A 20 13.570 -8.159 -13.224 1.00 0.00 C ATOM 305 OG SER A 20 14.804 -8.460 -12.595 1.00 0.00 O ATOM 0 H SER A 20 13.351 -8.311 -10.755 1.00 0.00 H new ATOM 0 HA SER A 20 13.125 -6.145 -12.619 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.991 -9.074 -13.352 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.755 -7.756 -14.220 1.00 0.00 H new ATOM 0 HG SER A 20 15.299 -9.108 -13.139 1.00 0.00 H new ATOM 311 N GLU A 21 10.949 -6.643 -13.926 1.00 0.00 N ATOM 312 CA GLU A 21 9.571 -6.645 -14.404 1.00 0.00 C ATOM 313 C GLU A 21 9.024 -8.068 -14.480 1.00 0.00 C ATOM 314 O GLU A 21 7.889 -8.331 -14.081 1.00 0.00 O ATOM 315 CB GLU A 21 9.483 -5.979 -15.778 1.00 0.00 C ATOM 316 CG GLU A 21 10.436 -6.571 -16.803 1.00 0.00 C ATOM 317 CD GLU A 21 10.509 -5.748 -18.075 1.00 0.00 C ATOM 318 OE1 GLU A 21 10.461 -4.504 -17.980 1.00 0.00 O ATOM 319 OE2 GLU A 21 10.615 -6.349 -19.165 1.00 0.00 O ATOM 0 H GLU A 21 11.607 -6.160 -14.538 1.00 0.00 H new ATOM 0 HA GLU A 21 8.967 -6.079 -13.695 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.462 -6.066 -16.150 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.693 -4.915 -15.671 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.432 -6.647 -16.366 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.117 -7.584 -17.048 1.00 0.00 H new ATOM 326 N ASP A 22 9.840 -8.982 -14.995 1.00 0.00 N ATOM 327 CA ASP A 22 9.439 -10.378 -15.124 1.00 0.00 C ATOM 328 C ASP A 22 9.033 -10.954 -13.771 1.00 0.00 C ATOM 329 O ASP A 22 8.295 -11.937 -13.700 1.00 0.00 O ATOM 330 CB ASP A 22 10.578 -11.204 -15.723 1.00 0.00 C ATOM 331 CG ASP A 22 10.198 -12.659 -15.920 1.00 0.00 C ATOM 332 OD1 ASP A 22 9.180 -12.920 -16.595 1.00 0.00 O ATOM 333 OD2 ASP A 22 10.918 -13.535 -15.399 1.00 0.00 O ATOM 0 H ASP A 22 10.782 -8.781 -15.330 1.00 0.00 H new ATOM 0 HA ASP A 22 8.578 -10.423 -15.791 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.869 -10.775 -16.682 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.449 -11.144 -15.070 1.00 0.00 H new ATOM 338 N ASP A 23 9.521 -10.337 -12.701 1.00 0.00 N ATOM 339 CA ASP A 23 9.210 -10.788 -11.350 1.00 0.00 C ATOM 340 C ASP A 23 8.082 -9.957 -10.746 1.00 0.00 C ATOM 341 O ASP A 23 7.541 -9.060 -11.393 1.00 0.00 O ATOM 342 CB ASP A 23 10.452 -10.705 -10.462 1.00 0.00 C ATOM 343 CG ASP A 23 11.553 -11.644 -10.917 1.00 0.00 C ATOM 344 OD1 ASP A 23 11.501 -12.837 -10.554 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.466 -11.185 -11.634 1.00 0.00 O ATOM 0 H ASP A 23 10.134 -9.523 -12.743 1.00 0.00 H new ATOM 0 HA ASP A 23 8.883 -11.826 -11.407 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.828 -9.682 -10.463 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.177 -10.943 -9.434 1.00 0.00 H new ATOM 350 N THR A 24 7.729 -10.262 -9.501 1.00 0.00 N ATOM 351 CA THR A 24 6.665 -9.546 -8.810 1.00 0.00 C ATOM 352 C THR A 24 6.962 -9.422 -7.320 1.00 0.00 C ATOM 353 O THR A 24 7.917 -10.012 -6.816 1.00 0.00 O ATOM 354 CB THR A 24 5.305 -10.247 -8.994 1.00 0.00 C ATOM 355 OG1 THR A 24 5.476 -11.460 -9.736 1.00 0.00 O ATOM 356 CG2 THR A 24 4.322 -9.338 -9.718 1.00 0.00 C ATOM 0 H THR A 24 8.166 -11.001 -8.950 1.00 0.00 H new ATOM 0 HA THR A 24 6.616 -8.551 -9.252 1.00 0.00 H new ATOM 0 HB THR A 24 4.903 -10.478 -8.008 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.608 -11.901 -9.847 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.369 -9.854 -9.837 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.172 -8.428 -9.137 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.720 -9.080 -10.700 1.00 0.00 H new ATOM 364 N VAL A 25 6.136 -8.651 -6.619 1.00 0.00 N ATOM 365 CA VAL A 25 6.310 -8.451 -5.185 1.00 0.00 C ATOM 366 C VAL A 25 6.032 -9.736 -4.414 1.00 0.00 C ATOM 367 O VAL A 25 6.604 -9.970 -3.348 1.00 0.00 O ATOM 368 CB VAL A 25 5.385 -7.338 -4.658 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.376 -7.328 -3.137 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.814 -5.986 -5.206 1.00 0.00 C ATOM 0 H VAL A 25 5.340 -8.155 -7.021 1.00 0.00 H new ATOM 0 HA VAL A 25 7.347 -8.155 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 25 4.370 -7.538 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.717 -6.535 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.018 -8.289 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.387 -7.152 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.150 -5.211 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.836 -5.774 -4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.764 -6.002 -6.295 1.00 0.00 H new ATOM 380 N LEU A 26 5.151 -10.568 -4.958 1.00 0.00 N ATOM 381 CA LEU A 26 4.796 -11.832 -4.322 1.00 0.00 C ATOM 382 C LEU A 26 6.040 -12.674 -4.053 1.00 0.00 C ATOM 383 O LEU A 26 6.110 -13.396 -3.058 1.00 0.00 O ATOM 384 CB LEU A 26 3.818 -12.612 -5.201 1.00 0.00 C ATOM 385 CG LEU A 26 4.320 -12.984 -6.597 1.00 0.00 C ATOM 386 CD1 LEU A 26 5.036 -14.325 -6.566 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.166 -13.017 -7.588 1.00 0.00 C ATOM 0 H LEU A 26 4.669 -10.390 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 26 4.317 -11.609 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.543 -13.529 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.908 -12.022 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 26 5.030 -12.223 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.386 -14.574 -7.568 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.887 -14.267 -5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.348 -15.097 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.542 -13.283 -8.576 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.432 -13.757 -7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.696 -12.035 -7.632 1.00 0.00 H new ATOM 399 N ASP A 27 7.018 -12.575 -4.946 1.00 0.00 N ATOM 400 CA ASP A 27 8.261 -13.325 -4.804 1.00 0.00 C ATOM 401 C ASP A 27 8.999 -12.918 -3.533 1.00 0.00 C ATOM 402 O ASP A 27 9.048 -13.674 -2.562 1.00 0.00 O ATOM 403 CB ASP A 27 9.158 -13.103 -6.023 1.00 0.00 C ATOM 404 CG ASP A 27 10.418 -13.944 -5.976 1.00 0.00 C ATOM 405 OD1 ASP A 27 10.310 -15.181 -6.113 1.00 0.00 O ATOM 406 OD2 ASP A 27 11.512 -13.367 -5.802 1.00 0.00 O ATOM 0 H ASP A 27 6.975 -11.983 -5.776 1.00 0.00 H new ATOM 0 HA ASP A 27 8.012 -14.384 -4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.600 -13.340 -6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.430 -12.049 -6.083 1.00 0.00 H new ATOM 411 N LEU A 28 9.574 -11.720 -3.546 1.00 0.00 N ATOM 412 CA LEU A 28 10.311 -11.212 -2.394 1.00 0.00 C ATOM 413 C LEU A 28 9.470 -11.306 -1.125 1.00 0.00 C ATOM 414 O LEU A 28 9.988 -11.584 -0.043 1.00 0.00 O ATOM 415 CB LEU A 28 10.734 -9.762 -2.634 1.00 0.00 C ATOM 416 CG LEU A 28 9.633 -8.710 -2.495 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.588 -8.168 -1.075 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.846 -7.580 -3.492 1.00 0.00 C ATOM 0 H LEU A 28 9.544 -11.082 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 28 11.202 -11.827 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.533 -9.517 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.155 -9.688 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 28 8.676 -9.184 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.798 -7.421 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.387 -8.984 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.546 -7.711 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.053 -6.841 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.811 -7.108 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.826 -7.981 -4.506 1.00 0.00 H new ATOM 430 N LYS A 29 8.169 -11.073 -1.265 1.00 0.00 N ATOM 431 CA LYS A 29 7.255 -11.135 -0.131 1.00 0.00 C ATOM 432 C LYS A 29 7.427 -12.441 0.637 1.00 0.00 C ATOM 433 O LYS A 29 7.694 -12.433 1.839 1.00 0.00 O ATOM 434 CB LYS A 29 5.807 -10.999 -0.610 1.00 0.00 C ATOM 435 CG LYS A 29 4.786 -11.076 0.512 1.00 0.00 C ATOM 436 CD LYS A 29 3.378 -10.813 0.004 1.00 0.00 C ATOM 437 CE LYS A 29 3.184 -9.351 -0.367 1.00 0.00 C ATOM 438 NZ LYS A 29 3.388 -8.451 0.802 1.00 0.00 N ATOM 0 H LYS A 29 7.724 -10.840 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 29 7.490 -10.308 0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.693 -10.048 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.598 -11.785 -1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.828 -12.061 0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.037 -10.349 1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.181 -11.440 -0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.655 -11.094 0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.882 -9.081 -1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.180 -9.207 -0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.932 -7.534 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.968 -8.883 1.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.406 -8.307 0.956 1.00 0.00 H new ATOM 452 N GLN A 30 7.275 -13.559 -0.064 1.00 0.00 N ATOM 453 CA GLN A 30 7.416 -14.873 0.554 1.00 0.00 C ATOM 454 C GLN A 30 8.813 -15.053 1.138 1.00 0.00 C ATOM 455 O GLN A 30 8.993 -15.744 2.141 1.00 0.00 O ATOM 456 CB GLN A 30 7.131 -15.974 -0.469 1.00 0.00 C ATOM 457 CG GLN A 30 5.662 -16.095 -0.840 1.00 0.00 C ATOM 458 CD GLN A 30 5.381 -17.292 -1.727 1.00 0.00 C ATOM 459 OE1 GLN A 30 5.908 -17.396 -2.835 1.00 0.00 O ATOM 460 NE2 GLN A 30 4.546 -18.204 -1.243 1.00 0.00 N ATOM 0 H GLN A 30 7.054 -13.582 -1.060 1.00 0.00 H new ATOM 0 HA GLN A 30 6.692 -14.945 1.365 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.710 -15.778 -1.372 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.476 -16.928 -0.069 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.067 -16.174 0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.344 -15.186 -1.351 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.132 -18.077 -0.319 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.319 -19.031 -1.795 1.00 0.00 H new ATOM 469 N PHE A 31 9.799 -14.428 0.503 1.00 0.00 N ATOM 470 CA PHE A 31 11.181 -14.521 0.959 1.00 0.00 C ATOM 471 C PHE A 31 11.369 -13.783 2.281 1.00 0.00 C ATOM 472 O PHE A 31 12.151 -14.204 3.135 1.00 0.00 O ATOM 473 CB PHE A 31 12.128 -13.947 -0.097 1.00 0.00 C ATOM 474 CG PHE A 31 12.619 -14.970 -1.082 1.00 0.00 C ATOM 475 CD1 PHE A 31 11.727 -15.806 -1.735 1.00 0.00 C ATOM 476 CD2 PHE A 31 13.972 -15.097 -1.354 1.00 0.00 C ATOM 477 CE1 PHE A 31 12.176 -16.748 -2.641 1.00 0.00 C ATOM 478 CE2 PHE A 31 14.426 -16.037 -2.259 1.00 0.00 C ATOM 479 CZ PHE A 31 13.527 -16.863 -2.904 1.00 0.00 C ATOM 0 H PHE A 31 9.667 -13.852 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 31 11.416 -15.574 1.115 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.617 -13.150 -0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 31 12.985 -13.495 0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 31 10.669 -15.720 -1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 31 14.680 -14.454 -0.853 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.471 -17.394 -3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 31 15.483 -16.126 -2.462 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.880 -17.598 -3.613 1.00 0.00 H new ATOM 489 N LEU A 32 10.647 -12.680 2.443 1.00 0.00 N ATOM 490 CA LEU A 32 10.733 -11.881 3.661 1.00 0.00 C ATOM 491 C LEU A 32 10.090 -12.610 4.836 1.00 0.00 C ATOM 492 O LEU A 32 10.531 -12.481 5.978 1.00 0.00 O ATOM 493 CB LEU A 32 10.056 -10.525 3.454 1.00 0.00 C ATOM 494 CG LEU A 32 10.744 -9.574 2.474 1.00 0.00 C ATOM 495 CD1 LEU A 32 10.056 -8.218 2.475 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.219 -9.427 2.819 1.00 0.00 C ATOM 0 H LEU A 32 9.995 -12.318 1.747 1.00 0.00 H new ATOM 0 HA LEU A 32 11.787 -11.722 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.038 -10.699 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.982 -10.027 4.421 1.00 0.00 H new ATOM 0 HG LEU A 32 10.667 -9.997 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.559 -7.554 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.014 -8.338 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.101 -7.788 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.692 -8.747 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.319 -9.027 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.704 -10.402 2.765 1.00 0.00 H new ATOM 508 N LYS A 33 9.044 -13.378 4.549 1.00 0.00 N ATOM 509 CA LYS A 33 8.340 -14.131 5.580 1.00 0.00 C ATOM 510 C LYS A 33 9.188 -15.299 6.075 1.00 0.00 C ATOM 511 O LYS A 33 9.139 -15.662 7.250 1.00 0.00 O ATOM 512 CB LYS A 33 7.005 -14.648 5.041 1.00 0.00 C ATOM 513 CG LYS A 33 6.141 -13.566 4.416 1.00 0.00 C ATOM 514 CD LYS A 33 5.157 -14.148 3.415 1.00 0.00 C ATOM 515 CE LYS A 33 3.806 -14.424 4.058 1.00 0.00 C ATOM 516 NZ LYS A 33 2.975 -13.192 4.155 1.00 0.00 N ATOM 0 H LYS A 33 8.665 -13.495 3.609 1.00 0.00 H new ATOM 0 HA LYS A 33 8.151 -13.461 6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.198 -15.422 4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.452 -15.118 5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.596 -13.037 5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.777 -12.833 3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.030 -13.456 2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.560 -15.073 3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.274 -15.176 3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.956 -14.840 5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.063 -13.422 4.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.471 -12.483 4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.810 -12.809 3.202 1.00 0.00 H new ATOM 530 N THR A 34 9.967 -15.884 5.170 1.00 0.00 N ATOM 531 CA THR A 34 10.825 -17.010 5.514 1.00 0.00 C ATOM 532 C THR A 34 12.182 -16.533 6.018 1.00 0.00 C ATOM 533 O THR A 34 12.847 -17.225 6.791 1.00 0.00 O ATOM 534 CB THR A 34 11.037 -17.944 4.307 1.00 0.00 C ATOM 535 OG1 THR A 34 11.733 -17.249 3.267 1.00 0.00 O ATOM 536 CG2 THR A 34 9.706 -18.457 3.779 1.00 0.00 C ATOM 0 H THR A 34 10.021 -15.596 4.193 1.00 0.00 H new ATOM 0 HA THR A 34 10.320 -17.562 6.307 1.00 0.00 H new ATOM 0 HB THR A 34 11.632 -18.796 4.635 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.672 -16.283 3.421 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.881 -19.114 2.927 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.192 -19.011 4.565 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.090 -17.614 3.466 1.00 0.00 H new ATOM 544 N LEU A 35 12.589 -15.348 5.577 1.00 0.00 N ATOM 545 CA LEU A 35 13.868 -14.778 5.984 1.00 0.00 C ATOM 546 C LEU A 35 13.745 -14.071 7.330 1.00 0.00 C ATOM 547 O LEU A 35 14.572 -14.263 8.223 1.00 0.00 O ATOM 548 CB LEU A 35 14.372 -13.796 4.924 1.00 0.00 C ATOM 549 CG LEU A 35 15.669 -13.058 5.256 1.00 0.00 C ATOM 550 CD1 LEU A 35 16.863 -13.775 4.646 1.00 0.00 C ATOM 551 CD2 LEU A 35 15.603 -11.618 4.768 1.00 0.00 C ATOM 0 H LEU A 35 12.051 -14.763 4.937 1.00 0.00 H new ATOM 0 HA LEU A 35 14.585 -15.593 6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.516 -14.342 3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.592 -13.056 4.743 1.00 0.00 H new ATOM 0 HG LEU A 35 15.792 -13.049 6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 35 17.777 -13.235 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 35 16.921 -14.788 5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.748 -13.817 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.535 -11.108 5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.456 -11.606 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.771 -11.107 5.253 1.00 0.00 H new ATOM 563 N THR A 36 12.706 -13.254 7.471 1.00 0.00 N ATOM 564 CA THR A 36 12.474 -12.520 8.709 1.00 0.00 C ATOM 565 C THR A 36 11.199 -12.993 9.398 1.00 0.00 C ATOM 566 O THR A 36 11.159 -13.137 10.619 1.00 0.00 O ATOM 567 CB THR A 36 12.373 -11.004 8.452 1.00 0.00 C ATOM 568 OG1 THR A 36 11.007 -10.634 8.237 1.00 0.00 O ATOM 569 CG2 THR A 36 13.209 -10.603 7.246 1.00 0.00 C ATOM 0 H THR A 36 12.012 -13.084 6.743 1.00 0.00 H new ATOM 0 HA THR A 36 13.328 -12.716 9.358 1.00 0.00 H new ATOM 0 HB THR A 36 12.756 -10.482 9.329 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.669 -11.083 7.434 1.00 0.00 H new ATOM 0 HG21 THR A 36 13.122 -9.529 7.084 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.253 -10.860 7.425 1.00 0.00 H new ATOM 0 HG23 THR A 36 12.852 -11.133 6.363 1.00 0.00 H new ATOM 577 N GLY A 37 10.158 -13.234 8.606 1.00 0.00 N ATOM 578 CA GLY A 37 8.896 -13.689 9.159 1.00 0.00 C ATOM 579 C GLY A 37 8.430 -12.834 10.321 1.00 0.00 C ATOM 580 O GLY A 37 7.722 -13.312 11.208 1.00 0.00 O ATOM 0 H GLY A 37 10.166 -13.122 7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.136 -13.680 8.378 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.000 -14.722 9.491 1.00 0.00 H new ATOM 584 N VAL A 38 8.828 -11.566 10.318 1.00 0.00 N ATOM 585 CA VAL A 38 8.447 -10.643 11.379 1.00 0.00 C ATOM 586 C VAL A 38 7.591 -9.504 10.837 1.00 0.00 C ATOM 587 O VAL A 38 6.841 -8.868 11.579 1.00 0.00 O ATOM 588 CB VAL A 38 9.685 -10.051 12.080 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.456 -9.149 11.128 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.276 -9.293 13.333 1.00 0.00 C ATOM 0 H VAL A 38 9.415 -11.155 9.592 1.00 0.00 H new ATOM 0 HA VAL A 38 7.868 -11.216 12.103 1.00 0.00 H new ATOM 0 HB VAL A 38 10.340 -10.870 12.377 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.327 -8.740 11.640 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.782 -9.727 10.263 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.812 -8.333 10.798 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.163 -8.882 13.815 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.600 -8.481 13.063 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.771 -9.972 14.020 1.00 0.00 H new ATOM 600 N LEU A 39 7.707 -9.252 9.538 1.00 0.00 N ATOM 601 CA LEU A 39 6.943 -8.189 8.893 1.00 0.00 C ATOM 602 C LEU A 39 5.447 -8.479 8.957 1.00 0.00 C ATOM 603 O LEU A 39 4.644 -7.642 9.371 1.00 0.00 O ATOM 604 CB LEU A 39 7.382 -8.029 7.437 1.00 0.00 C ATOM 605 CG LEU A 39 8.873 -8.228 7.160 1.00 0.00 C ATOM 606 CD1 LEU A 39 9.195 -7.893 5.712 1.00 0.00 C ATOM 607 CD2 LEU A 39 9.709 -7.378 8.105 1.00 0.00 C ATOM 0 H LEU A 39 8.323 -9.769 8.910 1.00 0.00 H new ATOM 0 HA LEU A 39 7.137 -7.259 9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.822 -8.740 6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.100 -7.031 7.101 1.00 0.00 H new ATOM 0 HG LEU A 39 9.119 -9.276 7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.260 -8.040 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.622 -8.544 5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.934 -6.854 5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.767 -7.532 7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.460 -6.326 7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.499 -7.666 9.135 1.00 0.00 H new ATOM 619 N PRO A 40 5.061 -9.693 8.538 1.00 0.00 N ATOM 620 CA PRO A 40 3.659 -10.123 8.540 1.00 0.00 C ATOM 621 C PRO A 40 3.118 -10.329 9.951 1.00 0.00 C ATOM 622 O PRO A 40 1.920 -10.533 10.141 1.00 0.00 O ATOM 623 CB PRO A 40 3.695 -11.452 7.781 1.00 0.00 C ATOM 624 CG PRO A 40 5.083 -11.958 7.969 1.00 0.00 C ATOM 625 CD PRO A 40 5.963 -10.741 8.031 1.00 0.00 C ATOM 0 HA PRO A 40 3.003 -9.378 8.091 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.961 -12.154 8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.465 -11.311 6.725 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.164 -12.545 8.884 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.376 -12.610 7.146 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.814 -10.894 8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.365 -10.485 7.051 1.00 0.00 H new ATOM 633 N GLU A 41 4.010 -10.275 10.935 1.00 0.00 N ATOM 634 CA GLU A 41 3.620 -10.457 12.329 1.00 0.00 C ATOM 635 C GLU A 41 3.614 -9.123 13.070 1.00 0.00 C ATOM 636 O GLU A 41 2.555 -8.565 13.358 1.00 0.00 O ATOM 637 CB GLU A 41 4.569 -11.435 13.024 1.00 0.00 C ATOM 638 CG GLU A 41 4.401 -12.874 12.567 1.00 0.00 C ATOM 639 CD GLU A 41 3.371 -13.630 13.384 1.00 0.00 C ATOM 640 OE1 GLU A 41 3.667 -13.958 14.552 1.00 0.00 O ATOM 641 OE2 GLU A 41 2.271 -13.893 12.856 1.00 0.00 O ATOM 0 H GLU A 41 5.006 -10.107 10.793 1.00 0.00 H new ATOM 0 HA GLU A 41 2.611 -10.868 12.347 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.597 -11.122 12.842 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.406 -11.383 14.101 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.106 -12.886 11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.360 -13.387 12.635 1.00 0.00 H new ATOM 648 N ARG A 42 4.804 -8.618 13.376 1.00 0.00 N ATOM 649 CA ARG A 42 4.937 -7.351 14.086 1.00 0.00 C ATOM 650 C ARG A 42 6.077 -6.519 13.505 1.00 0.00 C ATOM 651 O ARG A 42 7.201 -7.001 13.369 1.00 0.00 O ATOM 652 CB ARG A 42 5.181 -7.600 15.576 1.00 0.00 C ATOM 653 CG ARG A 42 4.305 -8.695 16.161 1.00 0.00 C ATOM 654 CD ARG A 42 4.451 -8.777 17.673 1.00 0.00 C ATOM 655 NE ARG A 42 3.942 -7.580 18.338 1.00 0.00 N ATOM 656 CZ ARG A 42 3.908 -7.431 19.657 1.00 0.00 C ATOM 657 NH1 ARG A 42 4.352 -8.398 20.449 1.00 0.00 N ATOM 658 NH2 ARG A 42 3.430 -6.312 20.187 1.00 0.00 N ATOM 0 H ARG A 42 5.690 -9.066 13.144 1.00 0.00 H new ATOM 0 HA ARG A 42 4.007 -6.796 13.965 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.228 -7.865 15.725 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.006 -6.674 16.124 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.263 -8.505 15.905 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.573 -9.653 15.716 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.916 -9.652 18.042 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.502 -8.915 17.929 1.00 0.00 H new ATOM 0 HE ARG A 42 3.594 -6.817 17.757 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.721 -9.259 20.045 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.325 -8.281 21.462 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.089 -5.566 19.581 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.404 -6.198 21.200 1.00 0.00 H new ATOM 672 N GLN A 43 5.778 -5.270 13.165 1.00 0.00 N ATOM 673 CA GLN A 43 6.777 -4.373 12.598 1.00 0.00 C ATOM 674 C GLN A 43 6.445 -2.918 12.914 1.00 0.00 C ATOM 675 O GLN A 43 5.331 -2.601 13.331 1.00 0.00 O ATOM 676 CB GLN A 43 6.870 -4.570 11.084 1.00 0.00 C ATOM 677 CG GLN A 43 5.520 -4.767 10.412 1.00 0.00 C ATOM 678 CD GLN A 43 5.641 -5.019 8.922 1.00 0.00 C ATOM 679 OE1 GLN A 43 6.743 -5.169 8.394 1.00 0.00 O ATOM 680 NE2 GLN A 43 4.505 -5.068 8.236 1.00 0.00 N ATOM 0 H GLN A 43 4.852 -4.856 13.272 1.00 0.00 H new ATOM 0 HA GLN A 43 7.740 -4.613 13.048 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.363 -3.704 10.643 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.500 -5.435 10.877 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.006 -5.607 10.878 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.903 -3.884 10.578 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.614 -4.938 8.715 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.524 -5.236 7.230 1.00 0.00 H new ATOM 689 N LYS A 44 7.418 -2.037 12.712 1.00 0.00 N ATOM 690 CA LYS A 44 7.230 -0.615 12.974 1.00 0.00 C ATOM 691 C LYS A 44 7.907 0.231 11.900 1.00 0.00 C ATOM 692 O LYS A 44 8.572 1.222 12.203 1.00 0.00 O ATOM 693 CB LYS A 44 7.788 -0.251 14.352 1.00 0.00 C ATOM 694 CG LYS A 44 6.927 -0.737 15.505 1.00 0.00 C ATOM 695 CD LYS A 44 7.481 -0.283 16.845 1.00 0.00 C ATOM 696 CE LYS A 44 7.203 -1.303 17.938 1.00 0.00 C ATOM 697 NZ LYS A 44 7.435 -0.738 19.296 1.00 0.00 N ATOM 0 H LYS A 44 8.346 -2.283 12.367 1.00 0.00 H new ATOM 0 HA LYS A 44 6.160 -0.406 12.955 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.788 -0.673 14.453 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.891 0.832 14.418 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.911 -0.362 15.385 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.870 -1.825 15.484 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.556 -0.123 16.760 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.037 0.674 17.118 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.172 -1.648 17.859 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.842 -2.174 17.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.235 -1.464 20.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.425 -0.432 19.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.807 0.078 19.445 1.00 0.00 H new ATOM 711 N LEU A 45 7.733 -0.166 10.644 1.00 0.00 N ATOM 712 CA LEU A 45 8.326 0.557 9.524 1.00 0.00 C ATOM 713 C LEU A 45 7.879 2.015 9.519 1.00 0.00 C ATOM 714 O LEU A 45 6.822 2.353 10.054 1.00 0.00 O ATOM 715 CB LEU A 45 7.943 -0.110 8.202 1.00 0.00 C ATOM 716 CG LEU A 45 8.743 -1.358 7.824 1.00 0.00 C ATOM 717 CD1 LEU A 45 8.076 -2.607 8.378 1.00 0.00 C ATOM 718 CD2 LEU A 45 8.893 -1.457 6.312 1.00 0.00 C ATOM 0 H LEU A 45 7.186 -0.984 10.376 1.00 0.00 H new ATOM 0 HA LEU A 45 9.410 0.529 9.638 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.888 -0.379 8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.052 0.623 7.403 1.00 0.00 H new ATOM 0 HG LEU A 45 9.737 -1.277 8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.659 -3.485 8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.020 -2.538 9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.070 -2.694 7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.465 -2.350 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.907 -1.516 5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.415 -0.576 5.940 1.00 0.00 H new ATOM 730 N LEU A 46 8.688 2.874 8.910 1.00 0.00 N ATOM 731 CA LEU A 46 8.375 4.297 8.833 1.00 0.00 C ATOM 732 C LEU A 46 7.906 4.676 7.432 1.00 0.00 C ATOM 733 O LEU A 46 8.072 5.815 6.998 1.00 0.00 O ATOM 734 CB LEU A 46 9.600 5.130 9.215 1.00 0.00 C ATOM 735 CG LEU A 46 10.951 4.597 8.736 1.00 0.00 C ATOM 736 CD1 LEU A 46 10.967 4.470 7.220 1.00 0.00 C ATOM 737 CD2 LEU A 46 12.080 5.501 9.209 1.00 0.00 C ATOM 0 H LEU A 46 9.566 2.611 8.462 1.00 0.00 H new ATOM 0 HA LEU A 46 7.568 4.505 9.536 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.468 6.137 8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.631 5.217 10.301 1.00 0.00 H new ATOM 0 HG LEU A 46 11.102 3.607 9.165 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.936 4.089 6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.183 3.782 6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.793 5.448 6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.034 5.106 8.859 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.934 6.505 8.809 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.082 5.541 10.298 1.00 0.00 H new ATOM 749 N GLY A 47 7.315 3.713 6.731 1.00 0.00 N ATOM 750 CA GLY A 47 6.828 3.966 5.387 1.00 0.00 C ATOM 751 C GLY A 47 6.258 2.723 4.734 1.00 0.00 C ATOM 752 O GLY A 47 5.045 2.604 4.560 1.00 0.00 O ATOM 0 H GLY A 47 7.165 2.763 7.070 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.060 4.739 5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.643 4.353 4.775 1.00 0.00 H new ATOM 756 N LEU A 48 7.135 1.794 4.369 1.00 0.00 N ATOM 757 CA LEU A 48 6.713 0.553 3.728 1.00 0.00 C ATOM 758 C LEU A 48 5.879 -0.296 4.682 1.00 0.00 C ATOM 759 O LEU A 48 6.062 -0.244 5.899 1.00 0.00 O ATOM 760 CB LEU A 48 7.932 -0.240 3.254 1.00 0.00 C ATOM 761 CG LEU A 48 7.692 -1.718 2.943 1.00 0.00 C ATOM 762 CD1 LEU A 48 6.803 -1.869 1.719 1.00 0.00 C ATOM 763 CD2 LEU A 48 9.015 -2.441 2.737 1.00 0.00 C ATOM 0 H LEU A 48 8.142 1.876 4.506 1.00 0.00 H new ATOM 0 HA LEU A 48 6.097 0.809 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.327 0.240 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.705 -0.171 4.019 1.00 0.00 H new ATOM 0 HG LEU A 48 7.182 -2.170 3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.644 -2.928 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.843 -1.387 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.284 -1.401 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.825 -3.491 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.552 -1.987 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.617 -2.363 3.642 1.00 0.00 H new ATOM 775 N LYS A 49 4.964 -1.080 4.123 1.00 0.00 N ATOM 776 CA LYS A 49 4.104 -1.944 4.922 1.00 0.00 C ATOM 777 C LYS A 49 3.281 -1.127 5.912 1.00 0.00 C ATOM 778 O LYS A 49 3.503 -1.190 7.121 1.00 0.00 O ATOM 779 CB LYS A 49 4.943 -2.980 5.673 1.00 0.00 C ATOM 780 CG LYS A 49 5.337 -4.176 4.823 1.00 0.00 C ATOM 781 CD LYS A 49 4.141 -5.062 4.518 1.00 0.00 C ATOM 782 CE LYS A 49 4.575 -6.438 4.036 1.00 0.00 C ATOM 783 NZ LYS A 49 4.696 -7.406 5.161 1.00 0.00 N ATOM 0 H LYS A 49 4.799 -1.135 3.118 1.00 0.00 H new ATOM 0 HA LYS A 49 3.421 -2.459 4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.846 -2.500 6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.382 -3.330 6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.782 -3.830 3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.099 -4.758 5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.526 -5.166 5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.520 -4.588 3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.854 -6.813 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.532 -6.357 3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.137 -8.283 4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.284 -6.993 5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.751 -7.619 5.539 1.00 0.00 H new ATOM 797 N VAL A 50 2.328 -0.360 5.392 1.00 0.00 N ATOM 798 CA VAL A 50 1.469 0.468 6.231 1.00 0.00 C ATOM 799 C VAL A 50 0.345 -0.356 6.848 1.00 0.00 C ATOM 800 O VAL A 50 -0.096 -1.352 6.276 1.00 0.00 O ATOM 801 CB VAL A 50 0.858 1.633 5.430 1.00 0.00 C ATOM 802 CG1 VAL A 50 1.938 2.616 5.007 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.100 1.108 4.220 1.00 0.00 C ATOM 0 H VAL A 50 2.131 -0.295 4.393 1.00 0.00 H new ATOM 0 HA VAL A 50 2.096 0.873 7.025 1.00 0.00 H new ATOM 0 HB VAL A 50 0.152 2.160 6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.487 3.432 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.432 3.017 5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.671 2.105 4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.325 1.945 3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.783 0.555 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.702 0.448 4.551 1.00 0.00 H new ATOM 813 N LYS A 51 -0.116 0.068 8.021 1.00 0.00 N ATOM 814 CA LYS A 51 -1.191 -0.629 8.717 1.00 0.00 C ATOM 815 C LYS A 51 -2.545 -0.296 8.099 1.00 0.00 C ATOM 816 O LYS A 51 -2.838 0.863 7.809 1.00 0.00 O ATOM 817 CB LYS A 51 -1.191 -0.255 10.201 1.00 0.00 C ATOM 818 CG LYS A 51 -2.083 -1.142 11.052 1.00 0.00 C ATOM 819 CD LYS A 51 -2.224 -0.601 12.464 1.00 0.00 C ATOM 820 CE LYS A 51 -1.030 -0.977 13.327 1.00 0.00 C ATOM 821 NZ LYS A 51 -1.133 -2.372 13.838 1.00 0.00 N ATOM 0 H LYS A 51 0.238 0.891 8.509 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.020 -1.701 8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.171 -0.309 10.581 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.516 0.780 10.306 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.068 -1.218 10.591 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.668 -2.149 11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.323 0.484 12.431 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.137 -0.991 12.915 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.114 -0.870 12.746 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.957 -0.287 14.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.300 -2.590 14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.994 -2.468 14.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.177 -3.033 13.036 1.00 0.00 H new ATOM 835 N GLY A 52 -3.368 -1.321 7.900 1.00 0.00 N ATOM 836 CA GLY A 52 -4.681 -1.116 7.318 1.00 0.00 C ATOM 837 C GLY A 52 -4.655 -1.139 5.803 1.00 0.00 C ATOM 838 O GLY A 52 -5.702 -1.127 5.155 1.00 0.00 O ATOM 0 H GLY A 52 -3.149 -2.290 8.132 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.359 -1.890 7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.080 -0.160 7.657 1.00 0.00 H new ATOM 842 N LYS A 53 -3.454 -1.171 5.234 1.00 0.00 N ATOM 843 CA LYS A 53 -3.294 -1.195 3.785 1.00 0.00 C ATOM 844 C LYS A 53 -1.967 -1.840 3.395 1.00 0.00 C ATOM 845 O LYS A 53 -1.051 -1.182 2.903 1.00 0.00 O ATOM 846 CB LYS A 53 -3.368 0.225 3.219 1.00 0.00 C ATOM 847 CG LYS A 53 -4.774 0.801 3.204 1.00 0.00 C ATOM 848 CD LYS A 53 -4.914 1.903 2.168 1.00 0.00 C ATOM 849 CE LYS A 53 -6.371 2.149 1.810 1.00 0.00 C ATOM 850 NZ LYS A 53 -6.553 3.433 1.077 1.00 0.00 N ATOM 0 H LYS A 53 -2.577 -1.181 5.755 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.105 -1.790 3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.724 0.877 3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.974 0.223 2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.491 0.008 2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.017 1.195 4.191 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.472 2.823 2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.358 1.633 1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.738 1.326 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.971 2.162 2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.560 3.564 0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.226 4.221 1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.000 3.411 0.196 1.00 0.00 H new ATOM 864 N PRO A 54 -1.861 -3.158 3.619 1.00 0.00 N ATOM 865 CA PRO A 54 -0.651 -3.921 3.296 1.00 0.00 C ATOM 866 C PRO A 54 -0.437 -4.059 1.793 1.00 0.00 C ATOM 867 O PRO A 54 -1.395 -4.164 1.027 1.00 0.00 O ATOM 868 CB PRO A 54 -0.916 -5.290 3.927 1.00 0.00 C ATOM 869 CG PRO A 54 -2.401 -5.402 3.979 1.00 0.00 C ATOM 870 CD PRO A 54 -2.914 -4.006 4.203 1.00 0.00 C ATOM 0 HA PRO A 54 0.250 -3.433 3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.479 -6.092 3.332 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.479 -5.358 4.923 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.794 -5.818 3.051 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.714 -6.067 4.784 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.875 -3.848 3.714 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.058 -3.796 5.263 1.00 0.00 H new ATOM 878 N ALA A 55 0.825 -4.059 1.377 1.00 0.00 N ATOM 879 CA ALA A 55 1.165 -4.187 -0.035 1.00 0.00 C ATOM 880 C ALA A 55 0.462 -5.386 -0.662 1.00 0.00 C ATOM 881 O ALA A 55 0.081 -6.327 0.034 1.00 0.00 O ATOM 882 CB ALA A 55 2.672 -4.306 -0.207 1.00 0.00 C ATOM 0 H ALA A 55 1.629 -3.972 1.998 1.00 0.00 H new ATOM 0 HA ALA A 55 0.822 -3.289 -0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.911 -4.401 -1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.156 -3.416 0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.031 -5.186 0.326 1.00 0.00 H new ATOM 888 N GLU A 56 0.292 -5.344 -1.980 1.00 0.00 N ATOM 889 CA GLU A 56 -0.367 -6.428 -2.699 1.00 0.00 C ATOM 890 C GLU A 56 0.611 -7.132 -3.636 1.00 0.00 C ATOM 891 O GLU A 56 1.646 -6.577 -4.002 1.00 0.00 O ATOM 892 CB GLU A 56 -1.557 -5.891 -3.496 1.00 0.00 C ATOM 893 CG GLU A 56 -2.548 -6.966 -3.910 1.00 0.00 C ATOM 894 CD GLU A 56 -3.968 -6.444 -4.010 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.357 -5.616 -3.161 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.689 -6.864 -4.939 1.00 0.00 O ATOM 0 H GLU A 56 0.601 -4.572 -2.571 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.726 -7.151 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.076 -5.142 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.187 -5.386 -4.389 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.248 -7.379 -4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.515 -7.782 -3.188 1.00 0.00 H new ATOM 903 N ASN A 57 0.273 -8.359 -4.020 1.00 0.00 N ATOM 904 CA ASN A 57 1.121 -9.141 -4.913 1.00 0.00 C ATOM 905 C ASN A 57 1.098 -8.565 -6.326 1.00 0.00 C ATOM 906 O ASN A 57 2.086 -8.648 -7.056 1.00 0.00 O ATOM 907 CB ASN A 57 0.662 -10.600 -4.937 1.00 0.00 C ATOM 908 CG ASN A 57 -0.836 -10.733 -5.135 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.336 -10.635 -6.255 1.00 0.00 O ATOM 910 ND2 ASN A 57 -1.559 -10.956 -4.043 1.00 0.00 N ATOM 0 H ASN A 57 -0.581 -8.833 -3.727 1.00 0.00 H new ATOM 0 HA ASN A 57 2.143 -9.095 -4.537 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.180 -11.128 -5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.946 -11.083 -4.002 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.572 -11.053 -4.113 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.101 -11.030 -3.135 1.00 0.00 H new ATOM 917 N ASP A 58 -0.034 -7.982 -6.703 1.00 0.00 N ATOM 918 CA ASP A 58 -0.185 -7.391 -8.028 1.00 0.00 C ATOM 919 C ASP A 58 0.926 -6.383 -8.303 1.00 0.00 C ATOM 920 O ASP A 58 1.298 -6.151 -9.453 1.00 0.00 O ATOM 921 CB ASP A 58 -1.549 -6.712 -8.154 1.00 0.00 C ATOM 922 CG ASP A 58 -1.871 -6.319 -9.583 1.00 0.00 C ATOM 923 OD1 ASP A 58 -2.085 -7.227 -10.414 1.00 0.00 O ATOM 924 OD2 ASP A 58 -1.910 -5.105 -9.869 1.00 0.00 O ATOM 0 H ASP A 58 -0.861 -7.906 -6.110 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.116 -8.191 -8.766 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.322 -7.385 -7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.569 -5.824 -7.523 1.00 0.00 H new ATOM 929 N VAL A 59 1.453 -5.785 -7.239 1.00 0.00 N ATOM 930 CA VAL A 59 2.522 -4.801 -7.365 1.00 0.00 C ATOM 931 C VAL A 59 3.732 -5.393 -8.078 1.00 0.00 C ATOM 932 O VAL A 59 4.060 -6.566 -7.898 1.00 0.00 O ATOM 933 CB VAL A 59 2.961 -4.270 -5.988 1.00 0.00 C ATOM 934 CG1 VAL A 59 4.055 -3.224 -6.142 1.00 0.00 C ATOM 935 CG2 VAL A 59 1.769 -3.699 -5.233 1.00 0.00 C ATOM 0 H VAL A 59 1.157 -5.965 -6.280 1.00 0.00 H new ATOM 0 HA VAL A 59 2.124 -3.975 -7.955 1.00 0.00 H new ATOM 0 HB VAL A 59 3.365 -5.101 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.352 -2.861 -5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.917 -3.669 -6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.681 -2.392 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.097 -3.328 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.334 -2.880 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.021 -4.479 -5.090 1.00 0.00 H new ATOM 945 N LYS A 60 4.393 -4.574 -8.889 1.00 0.00 N ATOM 946 CA LYS A 60 5.569 -5.015 -9.629 1.00 0.00 C ATOM 947 C LYS A 60 6.419 -3.823 -10.059 1.00 0.00 C ATOM 948 O LYS A 60 6.096 -2.675 -9.754 1.00 0.00 O ATOM 949 CB LYS A 60 5.150 -5.825 -10.858 1.00 0.00 C ATOM 950 CG LYS A 60 3.875 -5.322 -11.512 1.00 0.00 C ATOM 951 CD LYS A 60 3.825 -5.682 -12.988 1.00 0.00 C ATOM 952 CE LYS A 60 2.441 -6.160 -13.399 1.00 0.00 C ATOM 953 NZ LYS A 60 2.317 -7.641 -13.313 1.00 0.00 N ATOM 0 H LYS A 60 4.134 -3.601 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 60 6.166 -5.647 -8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.957 -5.802 -11.590 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.013 -6.866 -10.567 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.011 -5.749 -11.003 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.809 -4.240 -11.398 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.103 -4.813 -13.585 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.558 -6.461 -13.198 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.691 -5.695 -12.759 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.233 -5.837 -14.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.359 -7.927 -13.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.015 -8.085 -13.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.490 -7.948 -12.334 1.00 0.00 H new ATOM 967 N LEU A 61 7.506 -4.104 -10.770 1.00 0.00 N ATOM 968 CA LEU A 61 8.402 -3.054 -11.243 1.00 0.00 C ATOM 969 C LEU A 61 7.682 -2.118 -12.208 1.00 0.00 C ATOM 970 O LEU A 61 7.770 -0.897 -12.086 1.00 0.00 O ATOM 971 CB LEU A 61 9.623 -3.670 -11.928 1.00 0.00 C ATOM 972 CG LEU A 61 10.574 -2.689 -12.615 1.00 0.00 C ATOM 973 CD1 LEU A 61 10.077 -2.352 -14.012 1.00 0.00 C ATOM 974 CD2 LEU A 61 10.727 -1.424 -11.782 1.00 0.00 C ATOM 0 H LEU A 61 7.788 -5.049 -11.031 1.00 0.00 H new ATOM 0 HA LEU A 61 8.730 -2.474 -10.380 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.188 -4.231 -11.183 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.274 -4.387 -12.671 1.00 0.00 H new ATOM 0 HG LEU A 61 11.552 -3.163 -12.705 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.767 -1.653 -14.485 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.019 -3.263 -14.607 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.088 -1.898 -13.947 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.407 -0.737 -12.285 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.754 -0.948 -11.661 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.130 -1.680 -10.802 1.00 0.00 H new ATOM 986 N GLY A 62 6.968 -2.699 -13.167 1.00 0.00 N ATOM 987 CA GLY A 62 6.241 -1.901 -14.138 1.00 0.00 C ATOM 988 C GLY A 62 5.105 -1.118 -13.510 1.00 0.00 C ATOM 989 O GLY A 62 4.511 -0.252 -14.151 1.00 0.00 O ATOM 0 H GLY A 62 6.880 -3.708 -13.289 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.929 -1.210 -14.624 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.843 -2.554 -14.915 1.00 0.00 H new ATOM 993 N ALA A 63 4.801 -1.424 -12.253 1.00 0.00 N ATOM 994 CA ALA A 63 3.729 -0.742 -11.539 1.00 0.00 C ATOM 995 C ALA A 63 4.284 0.337 -10.615 1.00 0.00 C ATOM 996 O ALA A 63 3.585 1.289 -10.264 1.00 0.00 O ATOM 997 CB ALA A 63 2.902 -1.744 -10.746 1.00 0.00 C ATOM 0 H ALA A 63 5.282 -2.140 -11.708 1.00 0.00 H new ATOM 0 HA ALA A 63 3.087 -0.258 -12.275 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.105 -1.221 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.467 -2.476 -11.426 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.541 -2.254 -10.025 1.00 0.00 H new ATOM 1003 N LEU A 64 5.544 0.182 -10.223 1.00 0.00 N ATOM 1004 CA LEU A 64 6.194 1.144 -9.339 1.00 0.00 C ATOM 1005 C LEU A 64 7.183 2.011 -10.110 1.00 0.00 C ATOM 1006 O LEU A 64 7.034 3.231 -10.179 1.00 0.00 O ATOM 1007 CB LEU A 64 6.914 0.415 -8.203 1.00 0.00 C ATOM 1008 CG LEU A 64 6.100 -0.648 -7.465 1.00 0.00 C ATOM 1009 CD1 LEU A 64 7.019 -1.698 -6.859 1.00 0.00 C ATOM 1010 CD2 LEU A 64 5.237 -0.007 -6.388 1.00 0.00 C ATOM 0 H LEU A 64 6.136 -0.600 -10.503 1.00 0.00 H new ATOM 0 HA LEU A 64 5.425 1.791 -8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.807 -0.058 -8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.249 1.156 -7.477 1.00 0.00 H new ATOM 0 HG LEU A 64 5.444 -1.139 -8.183 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.422 -2.446 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.594 -2.179 -7.651 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.700 -1.222 -6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.665 -0.779 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.874 0.511 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.553 0.707 -6.847 1.00 0.00 H new ATOM 1022 N LYS A 65 8.193 1.373 -10.692 1.00 0.00 N ATOM 1023 CA LYS A 65 9.206 2.085 -11.462 1.00 0.00 C ATOM 1024 C LYS A 65 9.985 3.051 -10.575 1.00 0.00 C ATOM 1025 O LYS A 65 10.554 4.031 -11.057 1.00 0.00 O ATOM 1026 CB LYS A 65 8.555 2.848 -12.618 1.00 0.00 C ATOM 1027 CG LYS A 65 7.693 1.976 -13.514 1.00 0.00 C ATOM 1028 CD LYS A 65 8.505 1.361 -14.642 1.00 0.00 C ATOM 1029 CE LYS A 65 8.664 2.328 -15.805 1.00 0.00 C ATOM 1030 NZ LYS A 65 9.891 3.161 -15.671 1.00 0.00 N ATOM 0 H LYS A 65 8.332 0.364 -10.645 1.00 0.00 H new ATOM 0 HA LYS A 65 9.902 1.350 -11.867 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.943 3.653 -12.212 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.335 3.313 -13.220 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.235 1.185 -12.921 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.882 2.572 -13.932 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.488 1.074 -14.269 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.017 0.450 -14.989 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.706 1.768 -16.739 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.789 2.976 -15.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.440 3.114 -16.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.622 4.148 -15.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.469 2.804 -14.884 1.00 0.00 H new ATOM 1044 N LEU A 66 10.007 2.768 -9.277 1.00 0.00 N ATOM 1045 CA LEU A 66 10.718 3.612 -8.323 1.00 0.00 C ATOM 1046 C LEU A 66 12.201 3.257 -8.281 1.00 0.00 C ATOM 1047 O LEU A 66 12.665 2.394 -9.026 1.00 0.00 O ATOM 1048 CB LEU A 66 10.107 3.465 -6.928 1.00 0.00 C ATOM 1049 CG LEU A 66 9.201 4.607 -6.468 1.00 0.00 C ATOM 1050 CD1 LEU A 66 9.967 5.921 -6.451 1.00 0.00 C ATOM 1051 CD2 LEU A 66 7.978 4.713 -7.366 1.00 0.00 C ATOM 0 H LEU A 66 9.541 1.961 -8.861 1.00 0.00 H new ATOM 0 HA LEU A 66 10.621 4.648 -8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.533 2.539 -6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.918 3.359 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 66 8.864 4.392 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.307 6.723 -6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.811 5.841 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.333 6.142 -7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.345 5.531 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.295 4.904 -8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.417 3.779 -7.328 1.00 0.00 H new ATOM 1063 N LYS A 67 12.940 3.926 -7.403 1.00 0.00 N ATOM 1064 CA LYS A 67 14.370 3.680 -7.260 1.00 0.00 C ATOM 1065 C LYS A 67 14.728 3.386 -5.806 1.00 0.00 C ATOM 1066 O LYS A 67 13.983 3.708 -4.881 1.00 0.00 O ATOM 1067 CB LYS A 67 15.168 4.886 -7.759 1.00 0.00 C ATOM 1068 CG LYS A 67 14.461 6.214 -7.549 1.00 0.00 C ATOM 1069 CD LYS A 67 15.409 7.386 -7.736 1.00 0.00 C ATOM 1070 CE LYS A 67 15.858 7.514 -9.183 1.00 0.00 C ATOM 1071 NZ LYS A 67 14.799 8.113 -10.042 1.00 0.00 N ATOM 0 H LYS A 67 12.572 4.644 -6.779 1.00 0.00 H new ATOM 0 HA LYS A 67 14.626 2.809 -7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.130 4.911 -7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.376 4.759 -8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.631 6.300 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.035 6.246 -6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.917 8.307 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.280 7.257 -7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.756 8.130 -9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.125 6.530 -9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.144 8.183 -11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.950 7.512 -10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.562 9.062 -9.690 1.00 0.00 H new ATOM 1085 N PRO A 68 15.897 2.762 -5.599 1.00 0.00 N ATOM 1086 CA PRO A 68 16.382 2.413 -4.260 1.00 0.00 C ATOM 1087 C PRO A 68 16.782 3.642 -3.451 1.00 0.00 C ATOM 1088 O PRO A 68 16.911 3.576 -2.229 1.00 0.00 O ATOM 1089 CB PRO A 68 17.605 1.537 -4.543 1.00 0.00 C ATOM 1090 CG PRO A 68 18.073 1.963 -5.892 1.00 0.00 C ATOM 1091 CD PRO A 68 16.836 2.349 -6.656 1.00 0.00 C ATOM 0 HA PRO A 68 15.615 1.918 -3.664 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.380 1.684 -3.791 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.345 0.479 -4.530 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.764 2.803 -5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.605 1.155 -6.394 1.00 0.00 H new ATOM 0 HD2 PRO A 68 17.033 3.160 -7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.445 1.513 -7.237 1.00 0.00 H new ATOM 1099 N ASN A 69 16.978 4.761 -4.140 1.00 0.00 N ATOM 1100 CA ASN A 69 17.364 6.005 -3.484 1.00 0.00 C ATOM 1101 C ASN A 69 16.392 6.352 -2.360 1.00 0.00 C ATOM 1102 O ASN A 69 16.746 7.052 -1.411 1.00 0.00 O ATOM 1103 CB ASN A 69 17.415 7.148 -4.500 1.00 0.00 C ATOM 1104 CG ASN A 69 17.591 8.501 -3.840 1.00 0.00 C ATOM 1105 OD1 ASN A 69 18.374 8.649 -2.901 1.00 0.00 O ATOM 1106 ND2 ASN A 69 16.863 9.498 -4.330 1.00 0.00 N ATOM 0 H ASN A 69 16.876 4.832 -5.152 1.00 0.00 H new ATOM 0 HA ASN A 69 18.356 5.866 -3.053 1.00 0.00 H new ATOM 0 HB2 ASN A 69 18.237 6.976 -5.195 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.497 7.150 -5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.940 10.432 -3.927 1.00 0.00 H new ATOM 0 HD22 ASN A 69 16.227 9.330 -5.109 1.00 0.00 H new ATOM 1113 N THR A 70 15.163 5.857 -2.474 1.00 0.00 N ATOM 1114 CA THR A 70 14.139 6.115 -1.470 1.00 0.00 C ATOM 1115 C THR A 70 14.655 5.810 -0.068 1.00 0.00 C ATOM 1116 O THR A 70 14.429 6.576 0.869 1.00 0.00 O ATOM 1117 CB THR A 70 12.872 5.278 -1.731 1.00 0.00 C ATOM 1118 OG1 THR A 70 13.213 4.081 -2.439 1.00 0.00 O ATOM 1119 CG2 THR A 70 11.854 6.075 -2.533 1.00 0.00 C ATOM 0 H THR A 70 14.853 5.275 -3.252 1.00 0.00 H new ATOM 0 HA THR A 70 13.887 7.173 -1.540 1.00 0.00 H new ATOM 0 HB THR A 70 12.430 5.017 -0.769 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.198 4.256 -3.403 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.968 5.464 -2.705 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.575 6.971 -1.979 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.289 6.362 -3.490 1.00 0.00 H new ATOM 1127 N LYS A 71 15.351 4.686 0.070 1.00 0.00 N ATOM 1128 CA LYS A 71 15.902 4.280 1.357 1.00 0.00 C ATOM 1129 C LYS A 71 14.790 4.036 2.372 1.00 0.00 C ATOM 1130 O LYS A 71 14.166 4.978 2.862 1.00 0.00 O ATOM 1131 CB LYS A 71 16.862 5.348 1.884 1.00 0.00 C ATOM 1132 CG LYS A 71 18.324 5.044 1.603 1.00 0.00 C ATOM 1133 CD LYS A 71 19.210 6.242 1.901 1.00 0.00 C ATOM 1134 CE LYS A 71 20.685 5.880 1.814 1.00 0.00 C ATOM 1135 NZ LYS A 71 21.107 5.608 0.412 1.00 0.00 N ATOM 0 H LYS A 71 15.547 4.040 -0.695 1.00 0.00 H new ATOM 0 HA LYS A 71 16.449 3.348 1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.606 6.308 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.721 5.452 2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.643 4.195 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.442 4.754 0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.989 7.044 1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.986 6.623 2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 71 21.284 6.694 2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.880 5.002 2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.118 5.365 0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.554 4.814 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.944 6.454 -0.170 1.00 0.00 H new ATOM 1149 N ILE A 72 14.548 2.768 2.685 1.00 0.00 N ATOM 1150 CA ILE A 72 13.513 2.401 3.644 1.00 0.00 C ATOM 1151 C ILE A 72 14.121 2.013 4.988 1.00 0.00 C ATOM 1152 O ILE A 72 15.204 1.431 5.045 1.00 0.00 O ATOM 1153 CB ILE A 72 12.653 1.234 3.126 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.530 0.920 4.116 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.517 0.004 2.889 1.00 0.00 C ATOM 1156 CD1 ILE A 72 11.894 -0.147 5.125 1.00 0.00 C ATOM 0 H ILE A 72 15.055 1.977 2.288 1.00 0.00 H new ATOM 0 HA ILE A 72 12.879 3.278 3.774 1.00 0.00 H new ATOM 0 HB ILE A 72 12.203 1.527 2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.259 1.833 4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.648 0.599 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.895 -0.813 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.284 0.235 2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.992 -0.293 3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.051 -0.318 5.794 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.137 -1.073 4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.757 0.180 5.705 1.00 0.00 H new ATOM 1168 N MET A 73 13.415 2.338 6.066 1.00 0.00 N ATOM 1169 CA MET A 73 13.884 2.020 7.410 1.00 0.00 C ATOM 1170 C MET A 73 12.862 1.168 8.155 1.00 0.00 C ATOM 1171 O MET A 73 11.711 1.570 8.324 1.00 0.00 O ATOM 1172 CB MET A 73 14.164 3.304 8.193 1.00 0.00 C ATOM 1173 CG MET A 73 15.644 3.624 8.327 1.00 0.00 C ATOM 1174 SD MET A 73 16.257 4.653 6.979 1.00 0.00 S ATOM 1175 CE MET A 73 17.069 5.961 7.894 1.00 0.00 C ATOM 0 H MET A 73 12.517 2.821 6.035 1.00 0.00 H new ATOM 0 HA MET A 73 14.809 1.450 7.320 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.664 4.137 7.699 1.00 0.00 H new ATOM 0 HB3 MET A 73 13.728 3.215 9.188 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.817 4.133 9.275 1.00 0.00 H new ATOM 0 HG3 MET A 73 16.212 2.694 8.356 1.00 0.00 H new ATOM 0 HE1 MET A 73 17.500 6.679 7.197 1.00 0.00 H new ATOM 0 HE2 MET A 73 16.342 6.465 8.531 1.00 0.00 H new ATOM 0 HE3 MET A 73 17.860 5.536 8.512 1.00 0.00 H new ATOM 1185 N MET A 74 13.289 -0.009 8.599 1.00 0.00 N ATOM 1186 CA MET A 74 12.409 -0.916 9.327 1.00 0.00 C ATOM 1187 C MET A 74 12.698 -0.868 10.824 1.00 0.00 C ATOM 1188 O MET A 74 13.833 -0.635 11.239 1.00 0.00 O ATOM 1189 CB MET A 74 12.575 -2.346 8.810 1.00 0.00 C ATOM 1190 CG MET A 74 12.072 -2.540 7.389 1.00 0.00 C ATOM 1191 SD MET A 74 11.331 -4.164 7.129 1.00 0.00 S ATOM 1192 CE MET A 74 11.183 -4.187 5.344 1.00 0.00 C ATOM 0 H MET A 74 14.239 -0.357 8.468 1.00 0.00 H new ATOM 0 HA MET A 74 11.380 -0.595 9.162 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.629 -2.620 8.854 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.041 -3.027 9.472 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.337 -1.769 7.160 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.901 -2.408 6.693 1.00 0.00 H new ATOM 0 HE1 MET A 74 10.192 -4.545 5.066 1.00 0.00 H new ATOM 0 HE2 MET A 74 11.328 -3.180 4.954 1.00 0.00 H new ATOM 0 HE3 MET A 74 11.939 -4.850 4.925 1.00 0.00 H new ATOM 1202 N MET A 75 11.664 -1.090 11.629 1.00 0.00 N ATOM 1203 CA MET A 75 11.808 -1.072 13.080 1.00 0.00 C ATOM 1204 C MET A 75 11.028 -2.217 13.718 1.00 0.00 C ATOM 1205 O MET A 75 10.107 -2.765 13.114 1.00 0.00 O ATOM 1206 CB MET A 75 11.328 0.266 13.646 1.00 0.00 C ATOM 1207 CG MET A 75 11.664 0.461 15.115 1.00 0.00 C ATOM 1208 SD MET A 75 11.841 2.198 15.563 1.00 0.00 S ATOM 1209 CE MET A 75 10.151 2.766 15.389 1.00 0.00 C ATOM 0 H MET A 75 10.718 -1.284 11.301 1.00 0.00 H new ATOM 0 HA MET A 75 12.864 -1.199 13.316 1.00 0.00 H new ATOM 0 HB2 MET A 75 11.774 1.076 13.069 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.248 0.340 13.516 1.00 0.00 H new ATOM 0 HG2 MET A 75 10.881 0.010 15.725 1.00 0.00 H new ATOM 0 HG3 MET A 75 12.590 -0.066 15.345 1.00 0.00 H new ATOM 0 HE1 MET A 75 10.097 3.827 15.633 1.00 0.00 H new ATOM 0 HE2 MET A 75 9.819 2.612 14.362 1.00 0.00 H new ATOM 0 HE3 MET A 75 9.507 2.205 16.066 1.00 0.00 H new ATOM 1219 N GLY A 76 11.403 -2.573 14.943 1.00 0.00 N ATOM 1220 CA GLY A 76 10.728 -3.651 15.642 1.00 0.00 C ATOM 1221 C GLY A 76 10.681 -4.929 14.828 1.00 0.00 C ATOM 1222 O GLY A 76 9.754 -5.728 14.964 1.00 0.00 O ATOM 0 H GLY A 76 12.162 -2.134 15.464 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.238 -3.843 16.586 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.712 -3.342 15.886 1.00 0.00 H new ATOM 1226 N THR A 77 11.684 -5.124 13.977 1.00 0.00 N ATOM 1227 CA THR A 77 11.752 -6.313 13.136 1.00 0.00 C ATOM 1228 C THR A 77 12.628 -7.386 13.771 1.00 0.00 C ATOM 1229 O THR A 77 13.804 -7.521 13.433 1.00 0.00 O ATOM 1230 CB THR A 77 12.302 -5.979 11.736 1.00 0.00 C ATOM 1231 OG1 THR A 77 13.363 -5.023 11.841 1.00 0.00 O ATOM 1232 CG2 THR A 77 11.203 -5.428 10.840 1.00 0.00 C ATOM 0 H THR A 77 12.460 -4.474 13.852 1.00 0.00 H new ATOM 0 HA THR A 77 10.734 -6.690 13.038 1.00 0.00 H new ATOM 0 HB THR A 77 12.685 -6.898 11.292 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.075 -5.385 12.409 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.615 -5.200 9.857 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.411 -6.170 10.738 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.794 -4.519 11.282 1.00 0.00 H new ATOM 1240 N ARG A 78 12.048 -8.148 14.693 1.00 0.00 N ATOM 1241 CA ARG A 78 12.778 -9.210 15.376 1.00 0.00 C ATOM 1242 C ARG A 78 13.105 -10.349 14.415 1.00 0.00 C ATOM 1243 O ARG A 78 12.678 -10.342 13.261 1.00 0.00 O ATOM 1244 CB ARG A 78 11.961 -9.741 16.555 1.00 0.00 C ATOM 1245 CG ARG A 78 11.474 -8.653 17.498 1.00 0.00 C ATOM 1246 CD ARG A 78 12.632 -7.983 18.221 1.00 0.00 C ATOM 1247 NE ARG A 78 13.422 -8.938 18.994 1.00 0.00 N ATOM 1248 CZ ARG A 78 14.591 -8.644 19.551 1.00 0.00 C ATOM 1249 NH1 ARG A 78 15.103 -7.428 19.423 1.00 0.00 N ATOM 1250 NH2 ARG A 78 15.250 -9.567 20.240 1.00 0.00 N ATOM 0 H ARG A 78 11.075 -8.050 14.984 1.00 0.00 H new ATOM 0 HA ARG A 78 13.713 -8.793 15.749 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.101 -10.290 16.172 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.568 -10.451 17.116 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.914 -7.906 16.935 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.788 -9.083 18.228 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.274 -7.486 17.494 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.246 -7.210 18.886 1.00 0.00 H new ATOM 0 HE ARG A 78 13.056 -9.883 19.112 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.599 -6.715 18.896 1.00 0.00 H new ATOM 0 HH12 ARG A 78 16.001 -7.205 19.852 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.859 -10.503 20.342 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.148 -9.340 20.667 1.00 0.00 H new ATOM 1264 N GLU A 79 13.865 -11.326 14.901 1.00 0.00 N ATOM 1265 CA GLU A 79 14.249 -12.471 14.084 1.00 0.00 C ATOM 1266 C GLU A 79 14.650 -13.654 14.961 1.00 0.00 C ATOM 1267 O GLU A 79 14.803 -13.517 16.174 1.00 0.00 O ATOM 1268 CB GLU A 79 15.405 -12.097 13.154 1.00 0.00 C ATOM 1269 CG GLU A 79 16.672 -11.693 13.889 1.00 0.00 C ATOM 1270 CD GLU A 79 17.523 -12.885 14.283 1.00 0.00 C ATOM 1271 OE1 GLU A 79 17.935 -13.644 13.381 1.00 0.00 O ATOM 1272 OE2 GLU A 79 17.778 -13.057 15.493 1.00 0.00 O ATOM 0 H GLU A 79 14.226 -11.347 15.855 1.00 0.00 H new ATOM 0 HA GLU A 79 13.388 -12.762 13.483 1.00 0.00 H new ATOM 0 HB2 GLU A 79 15.626 -12.944 12.505 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.091 -11.275 12.510 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.258 -11.026 13.256 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.405 -11.130 14.784 1.00 0.00 H new ATOM 1279 N GLU A 80 14.818 -14.816 14.337 1.00 0.00 N ATOM 1280 CA GLU A 80 15.199 -16.023 15.060 1.00 0.00 C ATOM 1281 C GLU A 80 16.717 -16.133 15.175 1.00 0.00 C ATOM 1282 O GLU A 80 17.386 -16.611 14.259 1.00 0.00 O ATOM 1283 CB GLU A 80 14.639 -17.263 14.359 1.00 0.00 C ATOM 1284 CG GLU A 80 14.758 -18.534 15.183 1.00 0.00 C ATOM 1285 CD GLU A 80 14.817 -19.782 14.325 1.00 0.00 C ATOM 1286 OE1 GLU A 80 15.793 -19.931 13.560 1.00 0.00 O ATOM 1287 OE2 GLU A 80 13.887 -20.611 14.419 1.00 0.00 O ATOM 0 H GLU A 80 14.696 -14.947 13.333 1.00 0.00 H new ATOM 0 HA GLU A 80 14.779 -15.961 16.064 1.00 0.00 H new ATOM 0 HB2 GLU A 80 13.589 -17.092 14.120 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.163 -17.403 13.413 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.655 -18.480 15.801 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.908 -18.604 15.861 1.00 0.00 H new ATOM 1294 N SER A 81 17.252 -15.685 16.306 1.00 0.00 N ATOM 1295 CA SER A 81 18.691 -15.728 16.539 1.00 0.00 C ATOM 1296 C SER A 81 19.207 -17.163 16.492 1.00 0.00 C ATOM 1297 O SER A 81 20.049 -17.557 17.297 1.00 0.00 O ATOM 1298 CB SER A 81 19.029 -15.097 17.892 1.00 0.00 C ATOM 1299 OG SER A 81 18.203 -15.619 18.918 1.00 0.00 O ATOM 0 H SER A 81 16.711 -15.288 17.075 1.00 0.00 H new ATOM 0 HA SER A 81 19.179 -15.159 15.748 1.00 0.00 H new ATOM 0 HB2 SER A 81 20.076 -15.284 18.133 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.903 -14.016 17.834 1.00 0.00 H new ATOM 0 HG SER A 81 18.440 -15.202 19.773 1.00 0.00 H new TER 1305 SER A 81