USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 934 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 92 THR OG1 : rot 180:sc= -0.421 USER MOD Set 1.2: A 94 ASN : amide:sc= -0.253 K(o=-0.67,f=-1.6) USER MOD Set 2.1: A 60 SER OG : rot -25:sc=0.000789 USER MOD Set 2.2: A 61 SER OG : rot 92:sc= -0.202 USER MOD Set 3.1: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 29 GLN :FLIP amide:sc= -1.56 F(o=-3.8!,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -110:sc=-0.00142 (180deg=-0.201) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 126:sc= 0.856 (180deg=-1.76!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -7.15! C(o=-7.2!,f=-7.1!) USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= -3.96! (180deg=-4.52!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.059) USER MOD Single : A 45 CYS SG : rot -170:sc= -1.26 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -1.5 F(o=-5!,f=-1.5) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.485 F(o=-1.2,f=-0.49) USER MOD Single : A 54 ASN : amide:sc= -0.826 K(o=-0.83,f=-4.1!) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= 0.107 (180deg=-0.39) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 150:sc= -2.75 USER MOD Single : A 74 HIS : no HE2:sc= -21.4! C(o=-21!,f=-22!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.652 K(o=0.65,f=-2.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc=-0.00328 X(o=-0.0033,f=-0.092) USER MOD Single : A 99 HIS : no HD1:sc= -6.63! C(o=-6.6!,f=-8!) USER MOD Single : A 101 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.25) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.625 -0.775 26.619 1.00 0.00 N ATOM 2 CA GLY A 1 -14.745 -1.014 25.724 1.00 0.00 C ATOM 3 C GLY A 1 -14.671 -0.102 24.498 1.00 0.00 C ATOM 4 O GLY A 1 -14.354 -0.556 23.400 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.698 -1.406 27.443 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.734 -0.963 26.117 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.641 0.215 26.938 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.745 -2.057 25.407 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.682 -0.842 26.254 1.00 0.00 H new ATOM 8 N ILE A 2 -14.970 1.168 24.727 1.00 0.00 N ATOM 9 CA ILE A 2 -14.942 2.149 23.654 1.00 0.00 C ATOM 10 C ILE A 2 -14.590 3.521 24.232 1.00 0.00 C ATOM 11 O ILE A 2 -14.680 3.731 25.441 1.00 0.00 O ATOM 12 CB ILE A 2 -16.259 2.129 22.876 1.00 0.00 C ATOM 13 CG1 ILE A 2 -17.434 1.785 23.794 1.00 0.00 C ATOM 14 CG2 ILE A 2 -16.173 1.183 21.676 1.00 0.00 C ATOM 15 CD1 ILE A 2 -17.572 2.815 24.917 1.00 0.00 C ATOM 0 H ILE A 2 -15.233 1.541 25.639 1.00 0.00 H new ATOM 0 HA ILE A 2 -14.167 1.900 22.930 1.00 0.00 H new ATOM 0 HB ILE A 2 -16.439 3.130 22.485 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -18.356 1.749 23.213 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -17.288 0.793 24.221 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -17.122 1.188 21.140 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -15.378 1.514 21.008 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -15.958 0.173 22.024 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -18.414 2.547 25.555 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -16.658 2.831 25.511 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -17.742 3.802 24.487 1.00 0.00 H new ATOM 27 N PRO A 3 -14.187 4.443 23.318 1.00 0.00 N ATOM 28 CA PRO A 3 -13.821 5.789 23.725 1.00 0.00 C ATOM 29 C PRO A 3 -15.063 6.617 24.063 1.00 0.00 C ATOM 30 O PRO A 3 -16.174 6.265 23.668 1.00 0.00 O ATOM 31 CB PRO A 3 -13.032 6.353 22.554 1.00 0.00 C ATOM 32 CG PRO A 3 -13.381 5.481 21.358 1.00 0.00 C ATOM 33 CD PRO A 3 -14.069 4.230 21.879 1.00 0.00 C ATOM 0 HA PRO A 3 -13.223 5.805 24.636 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.298 7.394 22.369 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.961 6.328 22.756 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.035 6.019 20.671 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.481 5.218 20.801 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.047 4.095 21.417 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.486 3.336 21.658 1.00 0.00 H new ATOM 41 N ASP A 4 -14.833 7.700 24.790 1.00 0.00 N ATOM 42 CA ASP A 4 -15.919 8.580 25.186 1.00 0.00 C ATOM 43 C ASP A 4 -17.190 7.754 25.391 1.00 0.00 C ATOM 44 O ASP A 4 -18.281 8.181 25.015 1.00 0.00 O ATOM 45 CB ASP A 4 -16.204 9.624 24.105 1.00 0.00 C ATOM 46 CG ASP A 4 -17.505 10.408 24.289 1.00 0.00 C ATOM 47 OD1 ASP A 4 -17.559 11.200 25.255 1.00 0.00 O ATOM 48 OD2 ASP A 4 -18.416 10.198 23.460 1.00 0.00 O ATOM 0 H ASP A 4 -13.910 7.988 25.115 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.625 9.084 26.107 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -15.374 10.329 24.075 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -16.233 9.124 23.137 1.00 0.00 H new ATOM 53 N LEU A 5 -17.008 6.584 25.987 1.00 0.00 N ATOM 54 CA LEU A 5 -18.127 5.694 26.247 1.00 0.00 C ATOM 55 C LEU A 5 -19.018 5.627 25.005 1.00 0.00 C ATOM 56 O LEU A 5 -18.626 6.078 23.930 1.00 0.00 O ATOM 57 CB LEU A 5 -18.869 6.122 27.515 1.00 0.00 C ATOM 58 CG LEU A 5 -18.306 5.588 28.834 1.00 0.00 C ATOM 59 CD1 LEU A 5 -18.016 6.731 29.809 1.00 0.00 C ATOM 60 CD2 LEU A 5 -19.237 4.538 29.442 1.00 0.00 C ATOM 0 H LEU A 5 -16.102 6.232 26.297 1.00 0.00 H new ATOM 0 HA LEU A 5 -17.772 4.682 26.440 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -18.874 7.211 27.559 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -19.907 5.802 27.430 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.357 5.094 28.626 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.617 6.324 30.738 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.287 7.410 29.367 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -18.938 7.274 30.017 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -18.814 4.175 30.378 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -20.213 4.984 29.634 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -19.349 3.705 28.748 1.00 0.00 H new ATOM 72 N VAL A 6 -20.201 5.062 25.196 1.00 0.00 N ATOM 73 CA VAL A 6 -21.152 4.930 24.105 1.00 0.00 C ATOM 74 C VAL A 6 -21.677 6.315 23.722 1.00 0.00 C ATOM 75 O VAL A 6 -20.902 7.259 23.579 1.00 0.00 O ATOM 76 CB VAL A 6 -22.265 3.956 24.495 1.00 0.00 C ATOM 77 CG1 VAL A 6 -23.002 3.440 23.257 1.00 0.00 C ATOM 78 CG2 VAL A 6 -21.712 2.797 25.327 1.00 0.00 C ATOM 0 H VAL A 6 -20.523 4.690 26.090 1.00 0.00 H new ATOM 0 HA VAL A 6 -20.666 4.511 23.224 1.00 0.00 H new ATOM 0 HB VAL A 6 -22.984 4.498 25.110 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -23.788 2.750 23.563 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -23.445 4.279 22.721 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -22.299 2.923 22.604 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -22.524 2.119 25.591 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -20.963 2.258 24.747 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -21.255 3.187 26.236 1.00 0.00 H new ATOM 88 N LYS A 7 -22.991 6.393 23.566 1.00 0.00 N ATOM 89 CA LYS A 7 -23.629 7.647 23.202 1.00 0.00 C ATOM 90 C LYS A 7 -22.812 8.329 22.103 1.00 0.00 C ATOM 91 O LYS A 7 -22.856 9.550 21.959 1.00 0.00 O ATOM 92 CB LYS A 7 -23.842 8.518 24.441 1.00 0.00 C ATOM 93 CG LYS A 7 -22.510 9.057 24.968 1.00 0.00 C ATOM 94 CD LYS A 7 -21.906 8.108 26.004 1.00 0.00 C ATOM 95 CE LYS A 7 -22.103 8.646 27.423 1.00 0.00 C ATOM 96 NZ LYS A 7 -22.117 7.536 28.401 1.00 0.00 N ATOM 0 H LYS A 7 -23.631 5.608 23.685 1.00 0.00 H new ATOM 0 HA LYS A 7 -24.623 7.465 22.794 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -24.503 9.349 24.196 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -24.336 7.936 25.219 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -21.813 9.188 24.140 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -22.662 10.039 25.415 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -22.370 7.126 25.916 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -20.842 7.977 25.806 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -21.303 9.344 27.668 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -23.039 9.201 27.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -23.078 7.420 28.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -21.822 6.656 27.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -21.461 7.750 29.179 1.00 0.00 H new ATOM 110 N GLY A 8 -22.085 7.511 21.356 1.00 0.00 N ATOM 111 CA GLY A 8 -21.260 8.021 20.274 1.00 0.00 C ATOM 112 C GLY A 8 -19.773 7.849 20.591 1.00 0.00 C ATOM 113 O GLY A 8 -19.092 8.813 20.936 1.00 0.00 O ATOM 0 H GLY A 8 -22.050 6.499 21.479 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -21.501 7.497 19.349 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -21.481 9.076 20.109 1.00 0.00 H new ATOM 117 N PRO A 9 -19.300 6.580 20.459 1.00 0.00 N ATOM 118 CA PRO A 9 -17.907 6.269 20.727 1.00 0.00 C ATOM 119 C PRO A 9 -17.007 6.759 19.591 1.00 0.00 C ATOM 120 O PRO A 9 -17.353 6.625 18.418 1.00 0.00 O ATOM 121 CB PRO A 9 -17.868 4.760 20.906 1.00 0.00 C ATOM 122 CG PRO A 9 -19.147 4.232 20.276 1.00 0.00 C ATOM 123 CD PRO A 9 -20.077 5.413 20.052 1.00 0.00 C ATOM 0 HA PRO A 9 -17.528 6.773 21.616 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.989 4.332 20.423 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.814 4.493 21.961 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -18.930 3.733 19.332 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -19.617 3.494 20.926 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -20.381 5.485 19.008 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -20.987 5.318 20.644 1.00 0.00 H new ATOM 131 N TRP A 10 -15.869 7.317 19.979 1.00 0.00 N ATOM 132 CA TRP A 10 -14.917 7.828 19.008 1.00 0.00 C ATOM 133 C TRP A 10 -14.462 6.660 18.131 1.00 0.00 C ATOM 134 O TRP A 10 -14.441 5.515 18.579 1.00 0.00 O ATOM 135 CB TRP A 10 -13.756 8.543 19.702 1.00 0.00 C ATOM 136 CG TRP A 10 -14.178 9.758 20.529 1.00 0.00 C ATOM 137 CD1 TRP A 10 -15.342 9.964 21.159 1.00 0.00 C ATOM 138 CD2 TRP A 10 -13.386 10.936 20.791 1.00 0.00 C ATOM 139 NE1 TRP A 10 -15.359 11.182 21.806 1.00 0.00 N ATOM 140 CE2 TRP A 10 -14.132 11.793 21.575 1.00 0.00 C ATOM 141 CE3 TRP A 10 -12.083 11.267 20.380 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -13.661 13.035 22.016 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -11.627 12.512 20.829 1.00 0.00 C ATOM 144 CH2 TRP A 10 -12.365 13.386 21.618 1.00 0.00 C ATOM 0 H TRP A 10 -15.585 7.426 20.953 1.00 0.00 H new ATOM 0 HA TRP A 10 -15.382 8.580 18.371 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -13.243 7.834 20.352 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -13.037 8.862 18.948 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -16.164 9.264 21.160 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -16.130 11.564 22.353 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -11.481 10.613 19.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -14.264 13.687 22.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -10.631 12.815 20.542 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -11.941 14.331 21.923 1.00 0.00 H new ATOM 155 N THR A 11 -14.110 6.989 16.897 1.00 0.00 N ATOM 156 CA THR A 11 -13.657 5.981 15.954 1.00 0.00 C ATOM 157 C THR A 11 -12.484 6.513 15.127 1.00 0.00 C ATOM 158 O THR A 11 -11.866 7.512 15.491 1.00 0.00 O ATOM 159 CB THR A 11 -14.856 5.556 15.104 1.00 0.00 C ATOM 160 OG1 THR A 11 -15.129 6.696 14.294 1.00 0.00 O ATOM 161 CG2 THR A 11 -16.128 5.375 15.935 1.00 0.00 C ATOM 0 H THR A 11 -14.129 7.940 16.528 1.00 0.00 H new ATOM 0 HA THR A 11 -13.277 5.099 16.470 1.00 0.00 H new ATOM 0 HB THR A 11 -14.624 4.624 14.589 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.893 6.507 13.710 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.948 5.073 15.284 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.963 4.607 16.690 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.380 6.316 16.424 1.00 0.00 H new ATOM 169 N LYS A 12 -12.214 5.821 14.030 1.00 0.00 N ATOM 170 CA LYS A 12 -11.126 6.212 13.149 1.00 0.00 C ATOM 171 C LYS A 12 -11.077 7.738 13.051 1.00 0.00 C ATOM 172 O LYS A 12 -10.036 8.346 13.293 1.00 0.00 O ATOM 173 CB LYS A 12 -11.258 5.512 11.794 1.00 0.00 C ATOM 174 CG LYS A 12 -9.938 5.561 11.022 1.00 0.00 C ATOM 175 CD LYS A 12 -10.030 4.752 9.726 1.00 0.00 C ATOM 176 CE LYS A 12 -9.714 5.626 8.511 1.00 0.00 C ATOM 177 NZ LYS A 12 -10.359 5.078 7.297 1.00 0.00 N ATOM 0 H LYS A 12 -12.729 4.993 13.731 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.169 5.889 13.558 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.558 4.475 11.944 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.044 5.989 11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.686 6.596 10.792 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.134 5.168 11.644 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.335 3.914 9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.031 4.332 9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.062 6.644 8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.635 5.679 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.134 5.683 6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.007 4.115 7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.390 5.050 7.434 1.00 0.00 H new ATOM 191 N GLU A 13 -12.217 8.313 12.695 1.00 0.00 N ATOM 192 CA GLU A 13 -12.317 9.756 12.562 1.00 0.00 C ATOM 193 C GLU A 13 -11.630 10.447 13.742 1.00 0.00 C ATOM 194 O GLU A 13 -10.552 11.019 13.589 1.00 0.00 O ATOM 195 CB GLU A 13 -13.778 10.196 12.444 1.00 0.00 C ATOM 196 CG GLU A 13 -13.915 11.395 11.505 1.00 0.00 C ATOM 197 CD GLU A 13 -14.487 12.607 12.243 1.00 0.00 C ATOM 198 OE1 GLU A 13 -15.435 12.397 13.030 1.00 0.00 O ATOM 199 OE2 GLU A 13 -13.964 13.717 12.003 1.00 0.00 O ATOM 0 H GLU A 13 -13.079 7.805 12.495 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.807 10.053 11.645 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.382 9.368 12.073 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.164 10.456 13.430 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.941 11.646 11.086 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.564 11.134 10.669 1.00 0.00 H new ATOM 206 N GLU A 14 -12.282 10.370 14.893 1.00 0.00 N ATOM 207 CA GLU A 14 -11.748 10.980 16.098 1.00 0.00 C ATOM 208 C GLU A 14 -10.294 10.554 16.310 1.00 0.00 C ATOM 209 O GLU A 14 -9.456 11.364 16.702 1.00 0.00 O ATOM 210 CB GLU A 14 -12.605 10.630 17.317 1.00 0.00 C ATOM 211 CG GLU A 14 -13.398 11.847 17.797 1.00 0.00 C ATOM 212 CD GLU A 14 -12.462 12.957 18.278 1.00 0.00 C ATOM 213 OE1 GLU A 14 -11.234 12.742 18.191 1.00 0.00 O ATOM 214 OE2 GLU A 14 -12.996 13.996 18.723 1.00 0.00 O ATOM 0 H GLU A 14 -13.176 9.894 15.016 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.775 12.063 15.975 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.291 9.821 17.064 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.967 10.266 18.122 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.024 12.220 16.986 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.066 11.554 18.607 1.00 0.00 H new ATOM 221 N ASP A 15 -10.039 9.282 16.040 1.00 0.00 N ATOM 222 CA ASP A 15 -8.701 8.737 16.196 1.00 0.00 C ATOM 223 C ASP A 15 -7.753 9.438 15.220 1.00 0.00 C ATOM 224 O ASP A 15 -6.558 9.555 15.486 1.00 0.00 O ATOM 225 CB ASP A 15 -8.676 7.239 15.885 1.00 0.00 C ATOM 226 CG ASP A 15 -9.654 6.393 16.702 1.00 0.00 C ATOM 227 OD1 ASP A 15 -10.351 6.991 17.551 1.00 0.00 O ATOM 228 OD2 ASP A 15 -9.684 5.167 16.460 1.00 0.00 O ATOM 0 H ASP A 15 -10.737 8.613 15.714 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.391 8.896 17.229 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.895 7.099 14.826 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.666 6.865 16.054 1.00 0.00 H new ATOM 233 N GLN A 16 -8.322 9.887 14.111 1.00 0.00 N ATOM 234 CA GLN A 16 -7.543 10.573 13.095 1.00 0.00 C ATOM 235 C GLN A 16 -7.008 11.898 13.641 1.00 0.00 C ATOM 236 O GLN A 16 -5.960 12.374 13.208 1.00 0.00 O ATOM 237 CB GLN A 16 -8.371 10.797 11.828 1.00 0.00 C ATOM 238 CG GLN A 16 -9.089 12.147 11.873 1.00 0.00 C ATOM 239 CD GLN A 16 -8.366 13.182 11.008 1.00 0.00 C ATOM 240 OE1 GLN A 16 -7.465 13.877 11.449 1.00 0.00 O ATOM 241 NE2 GLN A 16 -8.810 13.245 9.756 1.00 0.00 N ATOM 0 H GLN A 16 -9.314 9.789 13.894 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.694 9.943 12.829 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.722 10.755 10.953 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.102 9.996 11.721 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.115 12.029 11.524 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.141 12.501 12.903 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.568 12.634 9.452 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.392 13.904 9.099 1.00 0.00 H new ATOM 250 N LYS A 17 -7.752 12.457 14.585 1.00 0.00 N ATOM 251 CA LYS A 17 -7.366 13.717 15.195 1.00 0.00 C ATOM 252 C LYS A 17 -6.111 13.505 16.044 1.00 0.00 C ATOM 253 O LYS A 17 -5.161 14.282 15.960 1.00 0.00 O ATOM 254 CB LYS A 17 -8.539 14.319 15.971 1.00 0.00 C ATOM 255 CG LYS A 17 -8.454 15.847 15.995 1.00 0.00 C ATOM 256 CD LYS A 17 -8.641 16.384 17.416 1.00 0.00 C ATOM 257 CE LYS A 17 -9.428 17.695 17.407 1.00 0.00 C ATOM 258 NZ LYS A 17 -8.748 18.714 18.237 1.00 0.00 N ATOM 0 H LYS A 17 -8.621 12.059 14.942 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.112 14.449 14.428 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.479 14.011 15.513 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.540 13.935 16.991 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.488 16.167 15.606 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.217 16.268 15.340 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.165 15.645 18.022 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.667 16.543 17.880 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.528 18.059 16.384 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.436 17.523 17.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.296 19.598 18.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.674 18.371 19.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.795 18.890 17.859 1.00 0.00 H new ATOM 272 N VAL A 18 -6.147 12.448 16.842 1.00 0.00 N ATOM 273 CA VAL A 18 -5.025 12.123 17.705 1.00 0.00 C ATOM 274 C VAL A 18 -3.745 12.060 16.869 1.00 0.00 C ATOM 275 O VAL A 18 -2.716 12.608 17.261 1.00 0.00 O ATOM 276 CB VAL A 18 -5.307 10.824 18.464 1.00 0.00 C ATOM 277 CG1 VAL A 18 -4.016 10.039 18.705 1.00 0.00 C ATOM 278 CG2 VAL A 18 -6.033 11.105 19.781 1.00 0.00 C ATOM 0 H VAL A 18 -6.936 11.805 16.909 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.885 12.900 18.457 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.962 10.210 17.846 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.244 9.121 19.246 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.556 9.792 17.748 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.326 10.645 19.293 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.221 10.165 20.300 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.415 11.748 20.407 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.981 11.602 19.575 1.00 0.00 H new ATOM 288 N ILE A 19 -3.851 11.389 15.732 1.00 0.00 N ATOM 289 CA ILE A 19 -2.715 11.248 14.837 1.00 0.00 C ATOM 290 C ILE A 19 -2.204 12.636 14.446 1.00 0.00 C ATOM 291 O ILE A 19 -0.997 12.861 14.381 1.00 0.00 O ATOM 292 CB ILE A 19 -3.081 10.368 13.640 1.00 0.00 C ATOM 293 CG1 ILE A 19 -2.863 8.888 13.961 1.00 0.00 C ATOM 294 CG2 ILE A 19 -2.319 10.802 12.387 1.00 0.00 C ATOM 295 CD1 ILE A 19 -3.144 8.599 15.436 1.00 0.00 C ATOM 0 H ILE A 19 -4.706 10.937 15.410 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.895 10.736 15.341 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.143 10.499 13.431 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.515 8.277 13.337 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.837 8.608 13.721 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.598 10.160 11.551 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.568 11.836 12.149 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.247 10.719 12.566 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.981 7.540 15.637 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.474 9.193 16.057 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.177 8.858 15.667 1.00 0.00 H new ATOM 307 N GLU A 20 -3.149 13.531 14.197 1.00 0.00 N ATOM 308 CA GLU A 20 -2.810 14.891 13.814 1.00 0.00 C ATOM 309 C GLU A 20 -2.197 15.639 15.000 1.00 0.00 C ATOM 310 O GLU A 20 -1.440 16.590 14.814 1.00 0.00 O ATOM 311 CB GLU A 20 -4.035 15.630 13.273 1.00 0.00 C ATOM 312 CG GLU A 20 -3.679 17.064 12.876 1.00 0.00 C ATOM 313 CD GLU A 20 -4.505 18.075 13.674 1.00 0.00 C ATOM 314 OE1 GLU A 20 -5.666 17.737 13.990 1.00 0.00 O ATOM 315 OE2 GLU A 20 -3.956 19.164 13.950 1.00 0.00 O ATOM 0 H GLU A 20 -4.150 13.341 14.253 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.070 14.849 13.014 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.433 15.098 12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.820 15.642 14.029 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.617 17.240 13.048 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.857 17.205 11.810 1.00 0.00 H new ATOM 322 N LEU A 21 -2.548 15.180 16.192 1.00 0.00 N ATOM 323 CA LEU A 21 -2.042 15.794 17.408 1.00 0.00 C ATOM 324 C LEU A 21 -0.602 15.335 17.645 1.00 0.00 C ATOM 325 O LEU A 21 0.315 16.154 17.693 1.00 0.00 O ATOM 326 CB LEU A 21 -2.979 15.508 18.583 1.00 0.00 C ATOM 327 CG LEU A 21 -4.147 16.480 18.761 1.00 0.00 C ATOM 328 CD1 LEU A 21 -5.400 15.749 19.248 1.00 0.00 C ATOM 329 CD2 LEU A 21 -3.762 17.636 19.687 1.00 0.00 C ATOM 0 H LEU A 21 -3.176 14.391 16.342 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.019 16.879 17.305 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.384 14.503 18.463 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.390 15.507 19.500 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.383 16.911 17.788 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.215 16.463 19.366 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.685 14.990 18.519 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.194 15.272 20.206 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.610 18.312 19.797 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.483 17.242 20.664 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.918 18.178 19.260 1.00 0.00 H new ATOM 341 N VAL A 22 -0.447 14.026 17.787 1.00 0.00 N ATOM 342 CA VAL A 22 0.866 13.448 18.018 1.00 0.00 C ATOM 343 C VAL A 22 1.833 13.945 16.941 1.00 0.00 C ATOM 344 O VAL A 22 3.046 13.950 17.146 1.00 0.00 O ATOM 345 CB VAL A 22 0.764 11.923 18.072 1.00 0.00 C ATOM 346 CG1 VAL A 22 2.010 11.313 18.718 1.00 0.00 C ATOM 347 CG2 VAL A 22 -0.505 11.484 18.807 1.00 0.00 C ATOM 0 H VAL A 22 -1.209 13.350 17.746 1.00 0.00 H new ATOM 0 HA VAL A 22 1.260 13.768 18.982 1.00 0.00 H new ATOM 0 HB VAL A 22 0.703 11.555 17.048 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.912 10.228 18.744 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.891 11.584 18.136 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.116 11.692 19.734 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.553 10.395 18.831 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.487 11.869 19.826 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.380 11.874 18.287 1.00 0.00 H new ATOM 357 N LYS A 23 1.260 14.350 15.818 1.00 0.00 N ATOM 358 CA LYS A 23 2.056 14.847 14.708 1.00 0.00 C ATOM 359 C LYS A 23 2.630 16.218 15.072 1.00 0.00 C ATOM 360 O LYS A 23 3.843 16.419 15.028 1.00 0.00 O ATOM 361 CB LYS A 23 1.235 14.847 13.417 1.00 0.00 C ATOM 362 CG LYS A 23 1.592 13.645 12.541 1.00 0.00 C ATOM 363 CD LYS A 23 1.502 14.003 11.056 1.00 0.00 C ATOM 364 CE LYS A 23 0.128 14.582 10.714 1.00 0.00 C ATOM 365 NZ LYS A 23 -0.660 13.613 9.920 1.00 0.00 N ATOM 0 H LYS A 23 0.254 14.344 15.652 1.00 0.00 H new ATOM 0 HA LYS A 23 2.902 14.186 14.520 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.172 14.823 13.658 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.417 15.770 12.866 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.601 13.306 12.776 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.918 12.817 12.761 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.278 14.726 10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.687 13.115 10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.407 14.830 11.631 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.247 15.509 10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.590 14.022 9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.156 13.396 9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.789 12.739 10.468 1.00 0.00 H new ATOM 379 N LYS A 24 1.731 17.126 15.424 1.00 0.00 N ATOM 380 CA LYS A 24 2.133 18.472 15.795 1.00 0.00 C ATOM 381 C LYS A 24 2.956 18.417 17.084 1.00 0.00 C ATOM 382 O LYS A 24 3.757 19.311 17.352 1.00 0.00 O ATOM 383 CB LYS A 24 0.912 19.390 15.884 1.00 0.00 C ATOM 384 CG LYS A 24 1.314 20.855 15.701 1.00 0.00 C ATOM 385 CD LYS A 24 1.004 21.670 16.958 1.00 0.00 C ATOM 386 CE LYS A 24 1.996 21.349 18.078 1.00 0.00 C ATOM 387 NZ LYS A 24 3.365 21.758 17.691 1.00 0.00 N ATOM 0 H LYS A 24 0.726 16.956 15.460 1.00 0.00 H new ATOM 0 HA LYS A 24 2.773 18.904 15.026 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.186 19.110 15.121 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.425 19.261 16.850 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.379 20.918 15.476 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.782 21.278 14.849 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.045 22.734 16.725 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.011 21.456 17.294 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.701 21.864 18.992 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.977 20.281 18.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.761 22.382 18.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.965 20.914 17.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.332 22.266 16.784 1.00 0.00 H new ATOM 401 N TYR A 25 2.730 17.358 17.848 1.00 0.00 N ATOM 402 CA TYR A 25 3.440 17.175 19.102 1.00 0.00 C ATOM 403 C TYR A 25 4.801 16.516 18.870 1.00 0.00 C ATOM 404 O TYR A 25 5.836 17.079 19.223 1.00 0.00 O ATOM 405 CB TYR A 25 2.572 16.239 19.946 1.00 0.00 C ATOM 406 CG TYR A 25 1.419 16.942 20.666 1.00 0.00 C ATOM 407 CD1 TYR A 25 0.718 17.946 20.030 1.00 0.00 C ATOM 408 CD2 TYR A 25 1.080 16.571 21.951 1.00 0.00 C ATOM 409 CE1 TYR A 25 -0.367 18.607 20.708 1.00 0.00 C ATOM 410 CE2 TYR A 25 -0.005 17.231 22.629 1.00 0.00 C ATOM 411 CZ TYR A 25 -0.675 18.217 21.974 1.00 0.00 C ATOM 412 OH TYR A 25 -1.700 18.841 22.614 1.00 0.00 O ATOM 0 H TYR A 25 2.065 16.618 17.622 1.00 0.00 H new ATOM 0 HA TYR A 25 3.614 18.135 19.588 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.164 15.460 19.303 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.202 15.745 20.686 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.983 18.236 19.024 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.629 15.785 22.448 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.924 19.395 20.222 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.281 16.950 23.635 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.807 18.459 23.510 1.00 0.00 H new ATOM 422 N GLY A 26 4.757 15.332 18.277 1.00 0.00 N ATOM 423 CA GLY A 26 5.974 14.591 17.993 1.00 0.00 C ATOM 424 C GLY A 26 7.050 14.882 19.040 1.00 0.00 C ATOM 425 O GLY A 26 7.740 15.898 18.961 1.00 0.00 O ATOM 0 H GLY A 26 3.897 14.867 17.985 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.758 13.523 17.976 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.344 14.858 17.003 1.00 0.00 H new ATOM 429 N THR A 27 7.160 13.974 19.998 1.00 0.00 N ATOM 430 CA THR A 27 8.141 14.121 21.060 1.00 0.00 C ATOM 431 C THR A 27 8.032 12.960 22.052 1.00 0.00 C ATOM 432 O THR A 27 8.966 12.173 22.196 1.00 0.00 O ATOM 433 CB THR A 27 7.937 15.493 21.706 1.00 0.00 C ATOM 434 OG1 THR A 27 8.549 15.369 22.986 1.00 0.00 O ATOM 435 CG2 THR A 27 6.467 15.779 22.021 1.00 0.00 C ATOM 0 H THR A 27 6.586 13.133 20.061 1.00 0.00 H new ATOM 0 HA THR A 27 9.157 14.078 20.668 1.00 0.00 H new ATOM 0 HB THR A 27 8.323 16.267 21.043 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.464 16.215 23.473 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.378 16.765 22.478 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.886 15.752 21.099 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.089 15.024 22.710 1.00 0.00 H new ATOM 443 N LYS A 28 6.883 12.892 22.709 1.00 0.00 N ATOM 444 CA LYS A 28 6.640 11.841 23.682 1.00 0.00 C ATOM 445 C LYS A 28 5.408 12.199 24.515 1.00 0.00 C ATOM 446 O LYS A 28 5.421 12.067 25.738 1.00 0.00 O ATOM 447 CB LYS A 28 7.895 11.585 24.519 1.00 0.00 C ATOM 448 CG LYS A 28 8.531 10.242 24.155 1.00 0.00 C ATOM 449 CD LYS A 28 8.295 9.207 25.257 1.00 0.00 C ATOM 450 CE LYS A 28 6.986 8.450 25.027 1.00 0.00 C ATOM 451 NZ LYS A 28 7.043 7.111 25.656 1.00 0.00 N ATOM 0 H LYS A 28 6.111 13.547 22.586 1.00 0.00 H new ATOM 0 HA LYS A 28 6.423 10.899 23.179 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.614 12.388 24.358 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.638 11.595 25.578 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.113 9.880 23.216 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.602 10.373 23.998 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.127 8.503 25.284 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.267 9.703 26.227 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.153 9.018 25.442 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.801 8.348 23.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.146 6.611 25.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.825 6.566 25.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.197 7.214 26.679 1.00 0.00 H new ATOM 465 N GLN A 29 4.372 12.647 23.820 1.00 0.00 N ATOM 466 CA GLN A 29 3.135 13.025 24.481 1.00 0.00 C ATOM 467 C GLN A 29 2.004 12.079 24.072 1.00 0.00 C ATOM 468 O GLN A 29 1.270 12.356 23.125 1.00 0.00 O ATOM 469 CB GLN A 29 2.771 14.479 24.173 1.00 0.00 C ATOM 470 CG GLN A 29 3.343 15.423 25.232 1.00 0.00 C ATOM 471 CD GLN A 29 4.744 15.900 24.844 1.00 0.00 C ATOM 472 OE1 GLN A 29 4.751 16.970 24.054 1.00 0.00 O flip ATOM 473 NE2 GLN A 29 5.751 15.334 25.235 1.00 0.00 N flip ATOM 0 H GLN A 29 4.364 12.756 22.806 1.00 0.00 H new ATOM 0 HA GLN A 29 3.281 12.941 25.558 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.155 14.753 23.190 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.687 14.586 24.133 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.683 16.282 25.353 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.382 14.914 26.195 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.674 14.517 25.840 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.670 15.678 24.957 1.00 0.00 H new ATOM 482 N TRP A 30 1.900 10.981 24.806 1.00 0.00 N ATOM 483 CA TRP A 30 0.871 9.992 24.532 1.00 0.00 C ATOM 484 C TRP A 30 -0.337 10.308 25.417 1.00 0.00 C ATOM 485 O TRP A 30 -1.394 9.697 25.271 1.00 0.00 O ATOM 486 CB TRP A 30 1.406 8.574 24.735 1.00 0.00 C ATOM 487 CG TRP A 30 1.986 7.940 23.469 1.00 0.00 C ATOM 488 CD1 TRP A 30 3.275 7.729 23.168 1.00 0.00 C ATOM 489 CD2 TRP A 30 1.241 7.440 22.338 1.00 0.00 C ATOM 490 NE1 TRP A 30 3.414 7.132 21.932 1.00 0.00 N ATOM 491 CE2 TRP A 30 2.138 6.951 21.411 1.00 0.00 C ATOM 492 CE3 TRP A 30 -0.145 7.403 22.107 1.00 0.00 C ATOM 493 CZ2 TRP A 30 1.748 6.390 20.189 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -0.519 6.839 20.881 1.00 0.00 C ATOM 495 CH2 TRP A 30 0.372 6.342 19.937 1.00 0.00 C ATOM 0 H TRP A 30 2.511 10.754 25.590 1.00 0.00 H new ATOM 0 HA TRP A 30 0.559 10.039 23.489 1.00 0.00 H new ATOM 0 HB2 TRP A 30 2.177 8.595 25.505 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.600 7.943 25.109 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.101 7.993 23.812 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.292 6.871 21.483 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.865 7.780 22.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 2.470 6.014 19.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.573 6.787 20.653 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.004 5.921 19.013 1.00 0.00 H new ATOM 506 N THR A 31 -0.139 11.263 26.314 1.00 0.00 N ATOM 507 CA THR A 31 -1.198 11.668 27.222 1.00 0.00 C ATOM 508 C THR A 31 -2.346 12.318 26.447 1.00 0.00 C ATOM 509 O THR A 31 -3.515 12.078 26.744 1.00 0.00 O ATOM 510 CB THR A 31 -0.586 12.583 28.284 1.00 0.00 C ATOM 511 OG1 THR A 31 -0.918 11.953 29.519 1.00 0.00 O ATOM 512 CG2 THR A 31 -1.286 13.942 28.360 1.00 0.00 C ATOM 0 H THR A 31 0.739 11.768 26.431 1.00 0.00 H new ATOM 0 HA THR A 31 -1.636 10.807 27.728 1.00 0.00 H new ATOM 0 HB THR A 31 0.472 12.731 28.069 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.557 12.480 30.262 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.813 14.552 29.129 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.207 14.446 27.397 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.337 13.796 28.608 1.00 0.00 H new ATOM 520 N LEU A 32 -1.971 13.129 25.468 1.00 0.00 N ATOM 521 CA LEU A 32 -2.955 13.816 24.648 1.00 0.00 C ATOM 522 C LEU A 32 -3.942 12.794 24.080 1.00 0.00 C ATOM 523 O LEU A 32 -5.154 12.986 24.160 1.00 0.00 O ATOM 524 CB LEU A 32 -2.262 14.663 23.578 1.00 0.00 C ATOM 525 CG LEU A 32 -2.125 14.018 22.197 1.00 0.00 C ATOM 526 CD1 LEU A 32 -3.475 13.964 21.481 1.00 0.00 C ATOM 527 CD2 LEU A 32 -1.061 14.733 21.362 1.00 0.00 C ATOM 0 H LEU A 32 -1.000 13.326 25.224 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.533 14.516 25.251 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.814 15.597 23.468 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.266 14.922 23.937 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.791 12.989 22.332 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.349 13.501 20.502 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.177 13.377 22.073 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.862 14.975 21.357 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.983 14.255 20.385 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.341 15.778 21.233 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.099 14.675 21.872 1.00 0.00 H new ATOM 539 N ILE A 33 -3.386 11.730 23.519 1.00 0.00 N ATOM 540 CA ILE A 33 -4.202 10.678 22.937 1.00 0.00 C ATOM 541 C ILE A 33 -5.141 10.117 24.008 1.00 0.00 C ATOM 542 O ILE A 33 -6.354 10.070 23.811 1.00 0.00 O ATOM 543 CB ILE A 33 -3.319 9.618 22.277 1.00 0.00 C ATOM 544 CG1 ILE A 33 -2.466 10.230 21.164 1.00 0.00 C ATOM 545 CG2 ILE A 33 -4.157 8.441 21.775 1.00 0.00 C ATOM 546 CD1 ILE A 33 -1.081 10.619 21.685 1.00 0.00 C ATOM 0 H ILE A 33 -2.380 11.574 23.455 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.829 11.078 22.140 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.634 9.228 23.030 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.364 9.517 20.346 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.966 11.110 20.759 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.505 7.702 21.310 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.683 7.985 22.614 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.882 8.797 21.043 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.495 11.051 20.874 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.186 11.350 22.487 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.574 9.733 22.066 1.00 0.00 H new ATOM 558 N ALA A 34 -4.543 9.706 25.116 1.00 0.00 N ATOM 559 CA ALA A 34 -5.311 9.150 26.218 1.00 0.00 C ATOM 560 C ALA A 34 -6.119 10.264 26.885 1.00 0.00 C ATOM 561 O ALA A 34 -6.919 10.004 27.782 1.00 0.00 O ATOM 562 CB ALA A 34 -4.366 8.449 27.196 1.00 0.00 C ATOM 0 H ALA A 34 -3.536 9.747 25.275 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.017 8.403 25.855 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.942 8.032 28.022 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.838 7.647 26.680 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.644 9.168 27.583 1.00 0.00 H new ATOM 568 N LYS A 35 -5.882 11.483 26.420 1.00 0.00 N ATOM 569 CA LYS A 35 -6.578 12.638 26.961 1.00 0.00 C ATOM 570 C LYS A 35 -7.729 13.017 26.027 1.00 0.00 C ATOM 571 O LYS A 35 -8.787 13.447 26.484 1.00 0.00 O ATOM 572 CB LYS A 35 -5.595 13.782 27.221 1.00 0.00 C ATOM 573 CG LYS A 35 -6.298 14.967 27.886 1.00 0.00 C ATOM 574 CD LYS A 35 -5.624 15.331 29.211 1.00 0.00 C ATOM 575 CE LYS A 35 -5.288 16.822 29.264 1.00 0.00 C ATOM 576 NZ LYS A 35 -4.881 17.213 30.632 1.00 0.00 N ATOM 0 H LYS A 35 -5.218 11.695 25.675 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.018 12.399 27.929 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.783 13.431 27.859 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.146 14.102 26.281 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.281 15.827 27.217 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.345 14.721 28.062 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.282 15.073 30.041 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.713 14.745 29.333 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.485 17.045 28.562 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.154 17.407 28.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.656 18.228 30.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.659 17.018 31.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.042 16.668 30.914 1.00 0.00 H new ATOM 590 N HIS A 36 -7.484 12.843 24.737 1.00 0.00 N ATOM 591 CA HIS A 36 -8.488 13.161 23.735 1.00 0.00 C ATOM 592 C HIS A 36 -9.441 11.976 23.569 1.00 0.00 C ATOM 593 O HIS A 36 -10.659 12.149 23.573 1.00 0.00 O ATOM 594 CB HIS A 36 -7.828 13.581 22.420 1.00 0.00 C ATOM 595 CG HIS A 36 -7.068 14.883 22.502 1.00 0.00 C ATOM 596 ND1 HIS A 36 -7.071 15.818 21.482 1.00 0.00 N ATOM 597 CD2 HIS A 36 -6.282 15.395 23.492 1.00 0.00 C ATOM 598 CE1 HIS A 36 -6.317 16.843 21.852 1.00 0.00 C ATOM 599 NE2 HIS A 36 -5.828 16.579 23.098 1.00 0.00 N ATOM 0 H HIS A 36 -6.605 12.486 24.362 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.080 14.014 24.066 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.146 12.793 22.100 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -8.596 13.668 21.652 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.065 14.918 24.437 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.124 17.732 21.269 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -5.215 17.190 23.638 1.00 0.00 H new ATOM 607 N LEU A 37 -8.850 10.799 23.427 1.00 0.00 N ATOM 608 CA LEU A 37 -9.632 9.585 23.260 1.00 0.00 C ATOM 609 C LEU A 37 -9.595 8.777 24.559 1.00 0.00 C ATOM 610 O LEU A 37 -8.833 7.819 24.677 1.00 0.00 O ATOM 611 CB LEU A 37 -9.152 8.803 22.035 1.00 0.00 C ATOM 612 CG LEU A 37 -8.501 9.630 20.925 1.00 0.00 C ATOM 613 CD1 LEU A 37 -8.475 8.854 19.607 1.00 0.00 C ATOM 614 CD2 LEU A 37 -9.189 10.988 20.777 1.00 0.00 C ATOM 0 H LEU A 37 -7.840 10.660 23.424 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.677 9.828 23.065 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.437 8.050 22.367 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.004 8.270 21.612 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.466 9.823 21.206 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.007 9.464 18.835 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.905 7.934 19.738 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.494 8.610 19.308 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.707 11.556 19.981 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.240 10.838 20.530 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.111 11.539 21.714 1.00 0.00 H new ATOM 626 N LYS A 38 -10.429 9.193 25.501 1.00 0.00 N ATOM 627 CA LYS A 38 -10.501 8.520 26.786 1.00 0.00 C ATOM 628 C LYS A 38 -11.232 7.187 26.618 1.00 0.00 C ATOM 629 O LYS A 38 -11.434 6.722 25.497 1.00 0.00 O ATOM 630 CB LYS A 38 -11.130 9.438 27.837 1.00 0.00 C ATOM 631 CG LYS A 38 -12.556 9.828 27.441 1.00 0.00 C ATOM 632 CD LYS A 38 -13.569 8.810 27.967 1.00 0.00 C ATOM 633 CE LYS A 38 -14.696 9.504 28.734 1.00 0.00 C ATOM 634 NZ LYS A 38 -15.599 8.504 29.348 1.00 0.00 N ATOM 0 H LYS A 38 -11.060 9.988 25.400 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.500 8.292 27.153 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.142 8.935 28.804 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.522 10.335 27.952 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.790 10.816 27.837 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.631 9.893 26.356 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.986 8.243 27.135 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.067 8.095 28.619 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.275 10.146 29.508 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.261 10.147 28.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.553 8.908 29.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.639 7.657 28.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.241 8.244 30.289 1.00 0.00 H new ATOM 648 N GLY A 39 -11.608 6.608 27.749 1.00 0.00 N ATOM 649 CA GLY A 39 -12.312 5.337 27.742 1.00 0.00 C ATOM 650 C GLY A 39 -11.329 4.166 27.810 1.00 0.00 C ATOM 651 O GLY A 39 -11.712 3.049 28.157 1.00 0.00 O ATOM 0 H GLY A 39 -11.438 6.996 28.677 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.997 5.292 28.589 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.917 5.257 26.839 1.00 0.00 H new ATOM 655 N ARG A 40 -10.082 4.460 27.473 1.00 0.00 N ATOM 656 CA ARG A 40 -9.042 3.446 27.491 1.00 0.00 C ATOM 657 C ARG A 40 -7.760 4.011 28.106 1.00 0.00 C ATOM 658 O ARG A 40 -7.527 5.218 28.064 1.00 0.00 O ATOM 659 CB ARG A 40 -8.742 2.939 26.079 1.00 0.00 C ATOM 660 CG ARG A 40 -9.950 2.206 25.491 1.00 0.00 C ATOM 661 CD ARG A 40 -9.561 0.805 25.014 1.00 0.00 C ATOM 662 NE ARG A 40 -9.306 0.820 23.556 1.00 0.00 N ATOM 663 CZ ARG A 40 -9.311 -0.274 22.782 1.00 0.00 C ATOM 664 NH1 ARG A 40 -9.559 -1.475 23.321 1.00 0.00 N ATOM 665 NH2 ARG A 40 -9.069 -0.166 21.468 1.00 0.00 N ATOM 0 H ARG A 40 -9.768 5.387 27.186 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.402 2.613 28.095 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.473 3.778 25.437 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.883 2.269 26.104 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.737 2.133 26.242 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.357 2.778 24.657 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.671 0.465 25.544 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.358 0.099 25.245 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.115 1.719 23.113 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.744 -1.557 24.321 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.563 -2.308 22.732 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.881 0.749 21.058 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.073 -0.998 20.879 1.00 0.00 H new ATOM 679 N LEU A 41 -6.963 3.111 28.663 1.00 0.00 N ATOM 680 CA LEU A 41 -5.711 3.505 29.286 1.00 0.00 C ATOM 681 C LEU A 41 -4.671 3.783 28.199 1.00 0.00 C ATOM 682 O LEU A 41 -4.983 3.739 27.010 1.00 0.00 O ATOM 683 CB LEU A 41 -5.267 2.456 30.308 1.00 0.00 C ATOM 684 CG LEU A 41 -5.746 2.675 31.744 1.00 0.00 C ATOM 685 CD1 LEU A 41 -4.962 3.804 32.417 1.00 0.00 C ATOM 686 CD2 LEU A 41 -7.255 2.920 31.788 1.00 0.00 C ATOM 0 H LEU A 41 -7.160 2.111 28.696 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.840 4.430 29.849 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.619 1.480 29.974 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.178 2.419 30.311 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.552 1.765 32.311 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.322 3.939 33.437 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.902 3.549 32.437 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.102 4.729 31.857 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.569 3.073 32.821 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.497 3.806 31.201 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.776 2.057 31.374 1.00 0.00 H new ATOM 698 N GLY A 42 -3.455 4.063 28.645 1.00 0.00 N ATOM 699 CA GLY A 42 -2.367 4.349 27.726 1.00 0.00 C ATOM 700 C GLY A 42 -1.654 3.062 27.304 1.00 0.00 C ATOM 701 O GLY A 42 -0.483 3.091 26.930 1.00 0.00 O ATOM 0 H GLY A 42 -3.199 4.098 29.632 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.755 4.860 26.845 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.655 5.025 28.199 1.00 0.00 H new ATOM 705 N LYS A 43 -2.391 1.963 27.378 1.00 0.00 N ATOM 706 CA LYS A 43 -1.845 0.669 27.008 1.00 0.00 C ATOM 707 C LYS A 43 -2.037 0.448 25.507 1.00 0.00 C ATOM 708 O LYS A 43 -1.081 0.155 24.791 1.00 0.00 O ATOM 709 CB LYS A 43 -2.451 -0.436 27.875 1.00 0.00 C ATOM 710 CG LYS A 43 -1.449 -0.922 28.925 1.00 0.00 C ATOM 711 CD LYS A 43 -1.691 -0.238 30.272 1.00 0.00 C ATOM 712 CE LYS A 43 -0.386 -0.096 31.057 1.00 0.00 C ATOM 713 NZ LYS A 43 -0.571 -0.542 32.456 1.00 0.00 N ATOM 0 H LYS A 43 -3.362 1.943 27.689 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.772 0.640 27.199 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.349 -0.064 28.369 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.756 -1.271 27.245 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.534 -2.002 29.041 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.434 -0.717 28.586 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.131 0.746 30.110 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.409 -0.816 30.854 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.397 -0.686 30.582 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.056 0.943 31.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.325 -0.439 32.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.304 0.039 32.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.864 -1.540 32.466 1.00 0.00 H new ATOM 727 N GLN A 44 -3.281 0.598 25.074 1.00 0.00 N ATOM 728 CA GLN A 44 -3.611 0.419 23.670 1.00 0.00 C ATOM 729 C GLN A 44 -3.797 1.777 22.991 1.00 0.00 C ATOM 730 O GLN A 44 -4.780 1.993 22.285 1.00 0.00 O ATOM 731 CB GLN A 44 -4.860 -0.450 23.508 1.00 0.00 C ATOM 732 CG GLN A 44 -4.539 -1.732 22.736 1.00 0.00 C ATOM 733 CD GLN A 44 -3.657 -2.666 23.568 1.00 0.00 C ATOM 734 OE1 GLN A 44 -4.122 -3.407 24.418 1.00 0.00 O ATOM 735 NE2 GLN A 44 -2.362 -2.589 23.275 1.00 0.00 N ATOM 0 H GLN A 44 -4.072 0.841 25.671 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.783 -0.097 23.185 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.261 -0.703 24.489 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.633 0.111 22.983 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.465 -2.242 22.469 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.033 -1.482 21.804 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.040 -1.946 22.551 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.691 -3.173 23.774 1.00 0.00 H new ATOM 744 N CYS A 45 -2.836 2.658 23.229 1.00 0.00 N ATOM 745 CA CYS A 45 -2.881 3.990 22.649 1.00 0.00 C ATOM 746 C CYS A 45 -2.369 3.904 21.210 1.00 0.00 C ATOM 747 O CYS A 45 -2.939 4.515 20.307 1.00 0.00 O ATOM 748 CB CYS A 45 -2.082 4.996 23.480 1.00 0.00 C ATOM 749 SG CYS A 45 -3.218 6.008 24.498 1.00 0.00 S ATOM 0 H CYS A 45 -2.022 2.476 23.816 1.00 0.00 H new ATOM 0 HA CYS A 45 -3.908 4.355 22.647 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.375 4.470 24.122 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.497 5.640 22.823 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.559 6.990 25.037 1.00 0.00 H new ATOM 755 N ARG A 46 -1.299 3.142 21.040 1.00 0.00 N ATOM 756 CA ARG A 46 -0.703 2.969 19.726 1.00 0.00 C ATOM 757 C ARG A 46 -1.337 1.774 19.010 1.00 0.00 C ATOM 758 O ARG A 46 -2.523 1.499 19.184 1.00 0.00 O ATOM 759 CB ARG A 46 0.807 2.749 19.830 1.00 0.00 C ATOM 760 CG ARG A 46 1.413 3.623 20.930 1.00 0.00 C ATOM 761 CD ARG A 46 1.805 2.781 22.146 1.00 0.00 C ATOM 762 NE ARG A 46 1.545 3.538 23.391 1.00 0.00 N ATOM 763 CZ ARG A 46 2.182 3.319 24.550 1.00 0.00 C ATOM 764 NH1 ARG A 46 3.119 2.365 24.630 1.00 0.00 N ATOM 765 NH2 ARG A 46 1.881 4.055 25.629 1.00 0.00 N ATOM 0 H ARG A 46 -0.829 2.637 21.791 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.887 3.880 19.156 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.012 1.699 20.040 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.279 2.981 18.875 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.290 4.142 20.545 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.696 4.387 21.229 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.238 1.850 22.152 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.860 2.512 22.088 1.00 0.00 H new ATOM 0 HE ARG A 46 0.837 4.272 23.366 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.348 1.805 23.809 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.603 2.199 25.512 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.167 4.781 25.568 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.365 3.889 26.511 1.00 0.00 H new ATOM 779 N GLU A 47 -0.518 1.097 18.219 1.00 0.00 N ATOM 780 CA GLU A 47 -0.983 -0.062 17.476 1.00 0.00 C ATOM 781 C GLU A 47 -1.621 0.376 16.156 1.00 0.00 C ATOM 782 O GLU A 47 -2.793 0.098 15.907 1.00 0.00 O ATOM 783 CB GLU A 47 -1.961 -0.892 18.309 1.00 0.00 C ATOM 784 CG GLU A 47 -1.990 -2.346 17.835 1.00 0.00 C ATOM 785 CD GLU A 47 -3.417 -2.898 17.845 1.00 0.00 C ATOM 786 OE1 GLU A 47 -4.167 -2.549 16.909 1.00 0.00 O ATOM 787 OE2 GLU A 47 -3.725 -3.656 18.790 1.00 0.00 O ATOM 0 H GLU A 47 0.465 1.329 18.076 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.124 -0.694 17.250 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.672 -0.854 19.359 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.960 -0.463 18.237 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.578 -2.412 16.828 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.356 -2.955 18.480 1.00 0.00 H new ATOM 794 N ARG A 48 -0.822 1.053 15.344 1.00 0.00 N ATOM 795 CA ARG A 48 -1.294 1.531 14.056 1.00 0.00 C ATOM 796 C ARG A 48 -0.111 1.940 13.176 1.00 0.00 C ATOM 797 O ARG A 48 0.236 1.235 12.230 1.00 0.00 O ATOM 798 CB ARG A 48 -2.234 2.727 14.224 1.00 0.00 C ATOM 799 CG ARG A 48 -2.851 3.131 12.883 1.00 0.00 C ATOM 800 CD ARG A 48 -4.139 2.351 12.615 1.00 0.00 C ATOM 801 NE ARG A 48 -5.169 2.716 13.614 1.00 0.00 N ATOM 802 CZ ARG A 48 -6.358 2.109 13.723 1.00 0.00 C ATOM 803 NH1 ARG A 48 -6.676 1.104 12.896 1.00 0.00 N ATOM 804 NH2 ARG A 48 -7.230 2.507 14.660 1.00 0.00 N ATOM 0 H ARG A 48 0.150 1.282 15.554 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.841 0.717 13.580 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.024 2.476 14.931 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.685 3.570 14.645 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.063 4.200 12.883 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.137 2.948 12.080 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.502 2.567 11.610 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.941 1.280 12.659 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.960 3.477 14.260 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.013 0.801 12.183 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.582 0.642 12.979 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.988 3.272 15.290 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.136 2.045 14.743 1.00 0.00 H new ATOM 818 N TRP A 49 0.475 3.078 13.519 1.00 0.00 N ATOM 819 CA TRP A 49 1.611 3.590 12.772 1.00 0.00 C ATOM 820 C TRP A 49 2.886 3.050 13.422 1.00 0.00 C ATOM 821 O TRP A 49 3.975 3.178 12.863 1.00 0.00 O ATOM 822 CB TRP A 49 1.577 5.118 12.700 1.00 0.00 C ATOM 823 CG TRP A 49 1.305 5.798 14.043 1.00 0.00 C ATOM 824 CD1 TRP A 49 1.367 5.259 15.268 1.00 0.00 C ATOM 825 CD2 TRP A 49 0.921 7.174 14.247 1.00 0.00 C ATOM 826 NE1 TRP A 49 1.054 6.184 16.244 1.00 0.00 N ATOM 827 CE2 TRP A 49 0.774 7.385 15.603 1.00 0.00 C ATOM 828 CE3 TRP A 49 0.706 8.206 13.318 1.00 0.00 C ATOM 829 CZ2 TRP A 49 0.405 8.620 16.151 1.00 0.00 C ATOM 830 CZ3 TRP A 49 0.338 9.434 13.881 1.00 0.00 C ATOM 831 CH2 TRP A 49 0.185 9.663 15.244 1.00 0.00 C ATOM 0 H TRP A 49 0.184 3.660 14.305 1.00 0.00 H new ATOM 0 HA TRP A 49 1.577 3.250 11.737 1.00 0.00 H new ATOM 0 HB2 TRP A 49 2.531 5.474 12.310 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.809 5.421 11.989 1.00 0.00 H new ATOM 0 HD1 TRP A 49 1.629 4.230 15.467 1.00 0.00 H new ATOM 0 HE1 TRP A 49 1.032 6.017 17.250 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.816 8.063 12.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.296 8.760 17.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.161 10.261 13.210 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -0.102 10.641 15.601 1.00 0.00 H new ATOM 842 N HIS A 50 2.709 2.457 14.594 1.00 0.00 N ATOM 843 CA HIS A 50 3.832 1.897 15.326 1.00 0.00 C ATOM 844 C HIS A 50 3.902 0.388 15.085 1.00 0.00 C ATOM 845 O HIS A 50 4.987 -0.190 15.051 1.00 0.00 O ATOM 846 CB HIS A 50 3.746 2.257 16.811 1.00 0.00 C ATOM 847 CG HIS A 50 4.979 2.943 17.349 1.00 0.00 C ATOM 848 ND1 HIS A 50 6.109 2.251 17.748 1.00 0.00 N ATOM 849 CD2 HIS A 50 5.247 4.266 17.549 1.00 0.00 C ATOM 850 CE1 HIS A 50 7.009 3.127 18.169 1.00 0.00 C ATOM 851 NE2 HIS A 50 6.473 4.375 18.045 1.00 0.00 N ATOM 0 H HIS A 50 1.805 2.352 15.054 1.00 0.00 H new ATOM 0 HA HIS A 50 4.762 2.331 14.959 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.884 2.906 16.968 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.569 1.348 17.385 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.575 5.085 17.339 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.994 2.894 18.545 1.00 0.00 H new ATOM 0 HE2 HIS A 50 6.938 5.248 18.293 1.00 0.00 H new ATOM 859 N ASN A 51 2.729 -0.207 14.922 1.00 0.00 N ATOM 860 CA ASN A 51 2.643 -1.638 14.684 1.00 0.00 C ATOM 861 C ASN A 51 2.215 -1.885 13.236 1.00 0.00 C ATOM 862 O ASN A 51 1.149 -2.445 12.987 1.00 0.00 O ATOM 863 CB ASN A 51 1.605 -2.287 15.601 1.00 0.00 C ATOM 864 CG ASN A 51 2.013 -2.158 17.070 1.00 0.00 C ATOM 865 OD1 ASN A 51 2.341 -0.921 17.433 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 2.028 -3.117 17.823 1.00 0.00 N flip ATOM 0 H ASN A 51 1.831 0.276 14.950 1.00 0.00 H new ATOM 0 HA ASN A 51 3.623 -2.073 14.883 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.634 -1.816 15.447 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.494 -3.340 15.342 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.764 -4.040 17.479 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.304 -2.996 18.797 1.00 0.00 H new ATOM 873 N HIS A 52 3.070 -1.456 12.319 1.00 0.00 N ATOM 874 CA HIS A 52 2.794 -1.623 10.902 1.00 0.00 C ATOM 875 C HIS A 52 4.077 -2.027 10.173 1.00 0.00 C ATOM 876 O HIS A 52 4.276 -3.201 9.864 1.00 0.00 O ATOM 877 CB HIS A 52 2.154 -0.361 10.320 1.00 0.00 C ATOM 878 CG HIS A 52 0.714 -0.539 9.903 1.00 0.00 C ATOM 879 ND1 HIS A 52 -0.378 -0.937 10.616 1.00 0.00 N flip ATOM 880 CD2 HIS A 52 0.272 -0.298 8.613 1.00 0.00 C flip ATOM 881 CE1 HIS A 52 -1.430 -0.938 9.807 1.00 0.00 C flip ATOM 882 NE2 HIS A 52 -1.029 -0.543 8.565 1.00 0.00 N flip ATOM 0 H HIS A 52 3.954 -0.993 12.530 1.00 0.00 H new ATOM 0 HA HIS A 52 2.070 -2.425 10.762 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.211 0.437 11.060 1.00 0.00 H new ATOM 0 HB3 HIS A 52 2.734 -0.037 9.456 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.884 0.033 7.787 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -2.438 -1.207 10.086 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -1.626 -0.452 7.743 1.00 0.00 H new ATOM 890 N LEU A 53 4.914 -1.032 9.920 1.00 0.00 N ATOM 891 CA LEU A 53 6.173 -1.269 9.234 1.00 0.00 C ATOM 892 C LEU A 53 5.897 -1.955 7.895 1.00 0.00 C ATOM 893 O LEU A 53 6.120 -3.156 7.751 1.00 0.00 O ATOM 894 CB LEU A 53 7.137 -2.044 10.135 1.00 0.00 C ATOM 895 CG LEU A 53 8.146 -1.202 10.918 1.00 0.00 C ATOM 896 CD1 LEU A 53 7.584 -0.801 12.283 1.00 0.00 C ATOM 897 CD2 LEU A 53 9.487 -1.928 11.041 1.00 0.00 C ATOM 0 H LEU A 53 4.745 -0.060 10.178 1.00 0.00 H new ATOM 0 HA LEU A 53 6.670 -0.325 9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.550 -2.626 10.846 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.687 -2.755 9.518 1.00 0.00 H new ATOM 0 HG LEU A 53 8.327 -0.282 10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.321 -0.203 12.819 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.674 -0.216 12.145 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.355 -1.697 12.860 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.186 -1.308 11.602 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.342 -2.874 11.563 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.889 -2.120 10.046 1.00 0.00 H new ATOM 909 N ASN A 54 5.416 -1.163 6.948 1.00 0.00 N ATOM 910 CA ASN A 54 5.107 -1.679 5.625 1.00 0.00 C ATOM 911 C ASN A 54 5.383 -0.594 4.582 1.00 0.00 C ATOM 912 O ASN A 54 4.453 -0.017 4.021 1.00 0.00 O ATOM 913 CB ASN A 54 3.633 -2.074 5.518 1.00 0.00 C ATOM 914 CG ASN A 54 3.331 -2.702 4.156 1.00 0.00 C ATOM 915 OD1 ASN A 54 4.138 -2.680 3.241 1.00 0.00 O ATOM 916 ND2 ASN A 54 2.128 -3.262 4.074 1.00 0.00 N ATOM 0 H ASN A 54 5.233 -0.167 7.071 1.00 0.00 H new ATOM 0 HA ASN A 54 5.729 -2.557 5.452 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.383 -2.779 6.311 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.006 -1.195 5.664 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.832 -3.709 3.206 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.501 -3.245 4.879 1.00 0.00 H new ATOM 923 N PRO A 55 6.699 -0.344 4.347 1.00 0.00 N ATOM 924 CA PRO A 55 7.109 0.662 3.382 1.00 0.00 C ATOM 925 C PRO A 55 6.914 0.158 1.950 1.00 0.00 C ATOM 926 O PRO A 55 6.114 -0.745 1.709 1.00 0.00 O ATOM 927 CB PRO A 55 8.562 0.958 3.714 1.00 0.00 C ATOM 928 CG PRO A 55 9.047 -0.219 4.546 1.00 0.00 C ATOM 929 CD PRO A 55 7.827 -1.008 4.993 1.00 0.00 C ATOM 0 HA PRO A 55 6.509 1.570 3.440 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.156 1.066 2.806 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.654 1.892 4.268 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.716 -0.850 3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.613 0.131 5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.898 -2.053 4.690 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.724 -0.997 6.078 1.00 0.00 H new ATOM 937 N GLU A 56 7.658 0.764 1.037 1.00 0.00 N ATOM 938 CA GLU A 56 7.577 0.389 -0.364 1.00 0.00 C ATOM 939 C GLU A 56 8.976 0.346 -0.984 1.00 0.00 C ATOM 940 O GLU A 56 9.976 0.421 -0.273 1.00 0.00 O ATOM 941 CB GLU A 56 6.665 1.344 -1.136 1.00 0.00 C ATOM 942 CG GLU A 56 5.616 0.571 -1.938 1.00 0.00 C ATOM 943 CD GLU A 56 5.324 1.265 -3.270 1.00 0.00 C ATOM 944 OE1 GLU A 56 6.083 0.999 -4.227 1.00 0.00 O ATOM 945 OE2 GLU A 56 4.348 2.045 -3.302 1.00 0.00 O ATOM 0 H GLU A 56 8.320 1.513 1.240 1.00 0.00 H new ATOM 0 HA GLU A 56 7.141 -0.608 -0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.170 2.022 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.262 1.959 -1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.969 -0.444 -2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.697 0.489 -1.358 1.00 0.00 H new ATOM 952 N VAL A 57 9.000 0.225 -2.303 1.00 0.00 N ATOM 953 CA VAL A 57 10.259 0.171 -3.027 1.00 0.00 C ATOM 954 C VAL A 57 10.662 1.586 -3.446 1.00 0.00 C ATOM 955 O VAL A 57 11.440 1.762 -4.383 1.00 0.00 O ATOM 956 CB VAL A 57 10.142 -0.793 -4.210 1.00 0.00 C ATOM 957 CG1 VAL A 57 11.465 -0.887 -4.973 1.00 0.00 C ATOM 958 CG2 VAL A 57 9.676 -2.175 -3.747 1.00 0.00 C ATOM 0 H VAL A 57 8.168 0.163 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 57 11.052 -0.217 -2.387 1.00 0.00 H new ATOM 0 HB VAL A 57 9.389 -0.397 -4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.355 -1.578 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.738 0.098 -5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.246 -1.248 -4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.601 -2.841 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.394 -2.581 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.700 -2.089 -3.269 1.00 0.00 H new ATOM 968 N LYS A 58 10.116 2.559 -2.731 1.00 0.00 N ATOM 969 CA LYS A 58 10.409 3.953 -3.017 1.00 0.00 C ATOM 970 C LYS A 58 9.807 4.328 -4.373 1.00 0.00 C ATOM 971 O LYS A 58 10.523 4.752 -5.278 1.00 0.00 O ATOM 972 CB LYS A 58 11.913 4.215 -2.919 1.00 0.00 C ATOM 973 CG LYS A 58 12.370 4.242 -1.459 1.00 0.00 C ATOM 974 CD LYS A 58 12.849 2.860 -1.009 1.00 0.00 C ATOM 975 CE LYS A 58 14.077 2.418 -1.807 1.00 0.00 C ATOM 976 NZ LYS A 58 13.845 1.093 -2.423 1.00 0.00 N ATOM 0 H LYS A 58 9.472 2.409 -1.954 1.00 0.00 H new ATOM 0 HA LYS A 58 9.946 4.600 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.457 3.441 -3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.152 5.165 -3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.175 4.967 -1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.548 4.571 -0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.091 2.883 0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.047 2.134 -1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.298 3.152 -2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.947 2.374 -1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.758 0.657 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.336 0.483 -1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.277 1.206 -3.287 1.00 0.00 H new ATOM 990 N LYS A 59 8.496 4.159 -4.469 1.00 0.00 N ATOM 991 CA LYS A 59 7.789 4.475 -5.699 1.00 0.00 C ATOM 992 C LYS A 59 8.692 4.165 -6.895 1.00 0.00 C ATOM 993 O LYS A 59 8.698 3.043 -7.398 1.00 0.00 O ATOM 994 CB LYS A 59 7.281 5.918 -5.669 1.00 0.00 C ATOM 995 CG LYS A 59 7.776 6.648 -4.419 1.00 0.00 C ATOM 996 CD LYS A 59 9.102 7.361 -4.688 1.00 0.00 C ATOM 997 CE LYS A 59 9.221 8.634 -3.847 1.00 0.00 C ATOM 998 NZ LYS A 59 8.511 9.756 -4.501 1.00 0.00 N ATOM 0 H LYS A 59 7.905 3.808 -3.715 1.00 0.00 H new ATOM 0 HA LYS A 59 6.901 3.851 -5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.620 6.445 -6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.191 5.924 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.028 7.373 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.901 5.936 -3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.932 6.692 -4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.176 7.612 -5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.804 8.461 -2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.272 8.890 -3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.602 10.612 -3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.927 9.931 -5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.505 9.515 -4.608 1.00 0.00 H new ATOM 1012 N SER A 60 9.433 5.180 -7.315 1.00 0.00 N ATOM 1013 CA SER A 60 10.337 5.031 -8.442 1.00 0.00 C ATOM 1014 C SER A 60 11.267 3.837 -8.212 1.00 0.00 C ATOM 1015 O SER A 60 11.358 3.322 -7.099 1.00 0.00 O ATOM 1016 CB SER A 60 11.154 6.305 -8.666 1.00 0.00 C ATOM 1017 OG SER A 60 12.091 6.530 -7.616 1.00 0.00 O ATOM 0 H SER A 60 9.425 6.109 -6.894 1.00 0.00 H new ATOM 0 HA SER A 60 9.741 4.853 -9.337 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.684 6.233 -9.616 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.481 7.159 -8.740 1.00 0.00 H new ATOM 0 HG SER A 60 11.775 6.094 -6.797 1.00 0.00 H new ATOM 1023 N SER A 61 11.934 3.433 -9.283 1.00 0.00 N ATOM 1024 CA SER A 61 12.853 2.310 -9.212 1.00 0.00 C ATOM 1025 C SER A 61 12.085 0.994 -9.357 1.00 0.00 C ATOM 1026 O SER A 61 11.010 0.962 -9.954 1.00 0.00 O ATOM 1027 CB SER A 61 13.639 2.323 -7.900 1.00 0.00 C ATOM 1028 OG SER A 61 13.843 3.647 -7.414 1.00 0.00 O ATOM 0 H SER A 61 11.856 3.863 -10.205 1.00 0.00 H new ATOM 0 HA SER A 61 13.565 2.400 -10.032 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.104 1.740 -7.151 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.604 1.839 -8.051 1.00 0.00 H new ATOM 0 HG SER A 61 13.118 3.885 -6.799 1.00 0.00 H new ATOM 1034 N TRP A 62 12.666 -0.058 -8.801 1.00 0.00 N ATOM 1035 CA TRP A 62 12.050 -1.372 -8.860 1.00 0.00 C ATOM 1036 C TRP A 62 10.728 -1.310 -8.092 1.00 0.00 C ATOM 1037 O TRP A 62 10.398 -0.283 -7.501 1.00 0.00 O ATOM 1038 CB TRP A 62 13.000 -2.448 -8.330 1.00 0.00 C ATOM 1039 CG TRP A 62 14.351 -2.493 -9.046 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.490 -1.880 -8.697 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.660 -3.218 -10.255 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.507 -2.155 -9.589 1.00 0.00 N ATOM 1043 CE2 TRP A 62 15.985 -2.995 -10.567 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.846 -4.036 -11.059 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.614 -3.554 -11.686 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.489 -4.586 -12.173 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.823 -4.372 -12.501 1.00 0.00 C ATOM 0 H TRP A 62 13.558 -0.027 -8.307 1.00 0.00 H new ATOM 0 HA TRP A 62 11.840 -1.653 -9.892 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.169 -2.277 -7.267 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.518 -3.421 -8.423 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.599 -1.250 -7.827 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.464 -1.807 -9.540 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.807 -4.225 -10.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.654 -3.364 -11.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 13.908 -5.222 -12.824 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.247 -4.835 -13.380 1.00 0.00 H new ATOM 1058 N THR A 63 10.009 -2.422 -8.124 1.00 0.00 N ATOM 1059 CA THR A 63 8.731 -2.507 -7.438 1.00 0.00 C ATOM 1060 C THR A 63 8.722 -3.693 -6.472 1.00 0.00 C ATOM 1061 O THR A 63 9.776 -4.144 -6.027 1.00 0.00 O ATOM 1062 CB THR A 63 7.629 -2.577 -8.497 1.00 0.00 C ATOM 1063 OG1 THR A 63 7.612 -3.947 -8.890 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.999 -1.826 -9.778 1.00 0.00 C ATOM 0 H THR A 63 10.287 -3.272 -8.614 1.00 0.00 H new ATOM 0 HA THR A 63 8.554 -1.625 -6.822 1.00 0.00 H new ATOM 0 HB THR A 63 6.706 -2.165 -8.089 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.705 -4.197 -9.165 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.183 -1.907 -10.496 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.175 -0.776 -9.546 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.903 -2.259 -10.206 1.00 0.00 H new ATOM 1072 N GLU A 64 7.520 -4.165 -6.176 1.00 0.00 N ATOM 1073 CA GLU A 64 7.360 -5.291 -5.271 1.00 0.00 C ATOM 1074 C GLU A 64 7.537 -6.609 -6.027 1.00 0.00 C ATOM 1075 O GLU A 64 8.616 -7.200 -6.006 1.00 0.00 O ATOM 1076 CB GLU A 64 6.001 -5.240 -4.568 1.00 0.00 C ATOM 1077 CG GLU A 64 6.087 -4.440 -3.267 1.00 0.00 C ATOM 1078 CD GLU A 64 6.440 -5.349 -2.087 1.00 0.00 C ATOM 1079 OE1 GLU A 64 7.507 -5.994 -2.168 1.00 0.00 O ATOM 1080 OE2 GLU A 64 5.634 -5.378 -1.132 1.00 0.00 O ATOM 0 H GLU A 64 6.648 -3.788 -6.547 1.00 0.00 H new ATOM 0 HA GLU A 64 8.132 -5.229 -4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.262 -4.787 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.660 -6.253 -4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.840 -3.658 -3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.135 -3.944 -3.077 1.00 0.00 H new ATOM 1087 N GLU A 65 6.462 -7.032 -6.676 1.00 0.00 N ATOM 1088 CA GLU A 65 6.486 -8.269 -7.437 1.00 0.00 C ATOM 1089 C GLU A 65 7.768 -8.357 -8.267 1.00 0.00 C ATOM 1090 O GLU A 65 8.233 -9.451 -8.584 1.00 0.00 O ATOM 1091 CB GLU A 65 5.247 -8.390 -8.326 1.00 0.00 C ATOM 1092 CG GLU A 65 4.746 -7.011 -8.759 1.00 0.00 C ATOM 1093 CD GLU A 65 4.314 -7.020 -10.226 1.00 0.00 C ATOM 1094 OE1 GLU A 65 3.329 -7.731 -10.523 1.00 0.00 O ATOM 1095 OE2 GLU A 65 4.978 -6.317 -11.018 1.00 0.00 O ATOM 0 H GLU A 65 5.569 -6.540 -6.690 1.00 0.00 H new ATOM 0 HA GLU A 65 6.472 -9.104 -6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.484 -8.988 -9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.458 -8.915 -7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.907 -6.711 -8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.533 -6.272 -8.613 1.00 0.00 H new ATOM 1102 N GLU A 66 8.303 -7.191 -8.596 1.00 0.00 N ATOM 1103 CA GLU A 66 9.522 -7.122 -9.384 1.00 0.00 C ATOM 1104 C GLU A 66 10.723 -7.560 -8.543 1.00 0.00 C ATOM 1105 O GLU A 66 11.584 -8.296 -9.021 1.00 0.00 O ATOM 1106 CB GLU A 66 9.731 -5.715 -9.949 1.00 0.00 C ATOM 1107 CG GLU A 66 8.825 -5.468 -11.156 1.00 0.00 C ATOM 1108 CD GLU A 66 9.614 -4.865 -12.320 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.818 -5.187 -12.416 1.00 0.00 O ATOM 1110 OE2 GLU A 66 8.996 -4.096 -13.087 1.00 0.00 O ATOM 0 H GLU A 66 7.915 -6.286 -8.331 1.00 0.00 H new ATOM 0 HA GLU A 66 9.426 -7.805 -10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.523 -4.975 -9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.774 -5.588 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.367 -6.406 -11.470 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.014 -4.796 -10.875 1.00 0.00 H new ATOM 1117 N ASP A 67 10.741 -7.088 -7.305 1.00 0.00 N ATOM 1118 CA ASP A 67 11.822 -7.422 -6.394 1.00 0.00 C ATOM 1119 C ASP A 67 11.765 -8.916 -6.067 1.00 0.00 C ATOM 1120 O ASP A 67 12.786 -9.602 -6.102 1.00 0.00 O ATOM 1121 CB ASP A 67 11.695 -6.646 -5.081 1.00 0.00 C ATOM 1122 CG ASP A 67 13.023 -6.236 -4.442 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.594 -5.229 -4.915 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.437 -6.937 -3.494 1.00 0.00 O ATOM 0 H ASP A 67 10.025 -6.477 -6.912 1.00 0.00 H new ATOM 0 HA ASP A 67 12.763 -7.162 -6.878 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.104 -5.748 -5.263 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.139 -7.255 -4.369 1.00 0.00 H new ATOM 1129 N ARG A 68 10.562 -9.375 -5.757 1.00 0.00 N ATOM 1130 CA ARG A 68 10.359 -10.775 -5.424 1.00 0.00 C ATOM 1131 C ARG A 68 10.866 -11.669 -6.557 1.00 0.00 C ATOM 1132 O ARG A 68 11.801 -12.446 -6.368 1.00 0.00 O ATOM 1133 CB ARG A 68 8.879 -11.072 -5.173 1.00 0.00 C ATOM 1134 CG ARG A 68 8.347 -10.252 -3.996 1.00 0.00 C ATOM 1135 CD ARG A 68 8.495 -11.021 -2.681 1.00 0.00 C ATOM 1136 NE ARG A 68 7.656 -12.240 -2.710 1.00 0.00 N ATOM 1137 CZ ARG A 68 6.318 -12.232 -2.637 1.00 0.00 C ATOM 1138 NH1 ARG A 68 5.659 -11.071 -2.529 1.00 0.00 N ATOM 1139 NH2 ARG A 68 5.639 -13.387 -2.671 1.00 0.00 N ATOM 0 H ARG A 68 9.718 -8.803 -5.729 1.00 0.00 H new ATOM 0 HA ARG A 68 10.920 -10.984 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.302 -10.845 -6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.747 -12.135 -4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.888 -9.308 -3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.298 -10.008 -4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.539 -11.292 -2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.201 -10.387 -1.844 1.00 0.00 H new ATOM 0 HE ARG A 68 8.125 -13.142 -2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.176 -10.192 -2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.641 -11.066 -2.474 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.141 -14.271 -2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.621 -13.382 -2.615 1.00 0.00 H new ATOM 1153 N ILE A 69 10.228 -11.529 -7.710 1.00 0.00 N ATOM 1154 CA ILE A 69 10.603 -12.314 -8.873 1.00 0.00 C ATOM 1155 C ILE A 69 12.123 -12.484 -8.900 1.00 0.00 C ATOM 1156 O ILE A 69 12.631 -13.589 -8.712 1.00 0.00 O ATOM 1157 CB ILE A 69 10.032 -11.690 -10.148 1.00 0.00 C ATOM 1158 CG1 ILE A 69 8.513 -11.868 -10.212 1.00 0.00 C ATOM 1159 CG2 ILE A 69 10.728 -12.248 -11.391 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.926 -11.130 -11.417 1.00 0.00 C ATOM 0 H ILE A 69 9.453 -10.883 -7.863 1.00 0.00 H new ATOM 0 HA ILE A 69 10.171 -13.313 -8.813 1.00 0.00 H new ATOM 0 HB ILE A 69 10.230 -10.618 -10.123 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.270 -12.929 -10.276 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.060 -11.492 -9.295 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.303 -11.788 -12.283 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.794 -12.027 -11.341 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.583 -13.327 -11.435 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.846 -11.272 -11.440 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.150 -10.066 -11.337 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.363 -11.525 -12.334 1.00 0.00 H new ATOM 1172 N ILE A 70 12.807 -11.374 -9.134 1.00 0.00 N ATOM 1173 CA ILE A 70 14.259 -11.386 -9.187 1.00 0.00 C ATOM 1174 C ILE A 70 14.804 -12.106 -7.952 1.00 0.00 C ATOM 1175 O ILE A 70 15.686 -12.957 -8.064 1.00 0.00 O ATOM 1176 CB ILE A 70 14.801 -9.966 -9.361 1.00 0.00 C ATOM 1177 CG1 ILE A 70 14.134 -9.266 -10.547 1.00 0.00 C ATOM 1178 CG2 ILE A 70 16.326 -9.972 -9.482 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.720 -7.868 -10.758 1.00 0.00 C ATOM 0 H ILE A 70 12.382 -10.460 -9.289 1.00 0.00 H new ATOM 0 HA ILE A 70 14.604 -11.942 -10.059 1.00 0.00 H new ATOM 0 HB ILE A 70 14.552 -9.393 -8.468 1.00 0.00 H new ATOM 0 HG12 ILE A 70 14.271 -9.862 -11.450 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.060 -9.192 -10.374 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.685 -8.950 -9.605 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.761 -10.404 -8.581 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.620 -10.566 -10.347 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.229 -7.392 -11.607 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.560 -7.267 -9.863 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.789 -7.948 -10.955 1.00 0.00 H new ATOM 1191 N PHE A 71 14.258 -11.738 -6.803 1.00 0.00 N ATOM 1192 CA PHE A 71 14.678 -12.338 -5.548 1.00 0.00 C ATOM 1193 C PHE A 71 14.358 -13.834 -5.521 1.00 0.00 C ATOM 1194 O PHE A 71 14.871 -14.567 -4.677 1.00 0.00 O ATOM 1195 CB PHE A 71 13.895 -11.640 -4.434 1.00 0.00 C ATOM 1196 CG PHE A 71 13.739 -12.479 -3.164 1.00 0.00 C ATOM 1197 CD1 PHE A 71 12.722 -13.377 -3.063 1.00 0.00 C ATOM 1198 CD2 PHE A 71 14.616 -12.327 -2.136 1.00 0.00 C ATOM 1199 CE1 PHE A 71 12.577 -14.155 -1.885 1.00 0.00 C ATOM 1200 CE2 PHE A 71 14.471 -13.105 -0.957 1.00 0.00 C ATOM 1201 CZ PHE A 71 13.455 -14.003 -0.857 1.00 0.00 C ATOM 0 H PHE A 71 13.528 -11.031 -6.714 1.00 0.00 H new ATOM 0 HA PHE A 71 15.755 -12.222 -5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.397 -10.706 -4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 71 12.905 -11.378 -4.808 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.025 -13.498 -3.879 1.00 0.00 H new ATOM 0 HD2 PHE A 71 15.423 -11.614 -2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 71 11.770 -14.868 -1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 71 15.167 -12.984 -0.140 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.345 -14.596 0.039 1.00 0.00 H new ATOM 1211 N GLU A 72 13.510 -14.242 -6.454 1.00 0.00 N ATOM 1212 CA GLU A 72 13.115 -15.637 -6.547 1.00 0.00 C ATOM 1213 C GLU A 72 13.331 -16.156 -7.970 1.00 0.00 C ATOM 1214 O GLU A 72 12.722 -17.145 -8.373 1.00 0.00 O ATOM 1215 CB GLU A 72 11.661 -15.825 -6.110 1.00 0.00 C ATOM 1216 CG GLU A 72 10.700 -15.179 -7.110 1.00 0.00 C ATOM 1217 CD GLU A 72 9.388 -15.963 -7.194 1.00 0.00 C ATOM 1218 OE1 GLU A 72 8.734 -16.090 -6.136 1.00 0.00 O ATOM 1219 OE2 GLU A 72 9.069 -16.417 -8.314 1.00 0.00 O ATOM 0 H GLU A 72 13.086 -13.631 -7.152 1.00 0.00 H new ATOM 0 HA GLU A 72 13.742 -16.218 -5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.439 -16.888 -6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.514 -15.386 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.495 -14.151 -6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.167 -15.138 -8.094 1.00 0.00 H new ATOM 1226 N ALA A 73 14.200 -15.464 -8.693 1.00 0.00 N ATOM 1227 CA ALA A 73 14.504 -15.842 -10.062 1.00 0.00 C ATOM 1228 C ALA A 73 16.004 -16.118 -10.189 1.00 0.00 C ATOM 1229 O ALA A 73 16.447 -16.721 -11.165 1.00 0.00 O ATOM 1230 CB ALA A 73 14.031 -14.741 -11.013 1.00 0.00 C ATOM 0 H ALA A 73 14.703 -14.643 -8.356 1.00 0.00 H new ATOM 0 HA ALA A 73 13.976 -16.756 -10.334 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.259 -15.025 -12.040 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.955 -14.604 -10.905 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.541 -13.808 -10.772 1.00 0.00 H new ATOM 1236 N HIS A 74 16.744 -15.663 -9.189 1.00 0.00 N ATOM 1237 CA HIS A 74 18.184 -15.853 -9.177 1.00 0.00 C ATOM 1238 C HIS A 74 18.523 -17.164 -8.465 1.00 0.00 C ATOM 1239 O HIS A 74 19.584 -17.743 -8.694 1.00 0.00 O ATOM 1240 CB HIS A 74 18.887 -14.643 -8.558 1.00 0.00 C ATOM 1241 CG HIS A 74 20.345 -14.521 -8.931 1.00 0.00 C ATOM 1242 ND1 HIS A 74 21.371 -14.821 -8.053 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.937 -14.131 -10.096 1.00 0.00 C ATOM 1244 CE1 HIS A 74 22.525 -14.616 -8.671 1.00 0.00 C ATOM 1245 NE2 HIS A 74 22.253 -14.188 -9.938 1.00 0.00 N ATOM 0 H HIS A 74 16.373 -15.163 -8.381 1.00 0.00 H new ATOM 0 HA HIS A 74 18.552 -15.930 -10.200 1.00 0.00 H new ATOM 0 HB2 HIS A 74 18.367 -13.736 -8.867 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.804 -14.704 -7.473 1.00 0.00 H new ATOM 0 HD1 HIS A 74 21.258 -15.145 -7.092 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.422 -13.827 -10.995 1.00 0.00 H new ATOM 0 HE1 HIS A 74 23.507 -14.762 -8.247 1.00 0.00 H new ATOM 1253 N LYS A 75 17.601 -17.594 -7.616 1.00 0.00 N ATOM 1254 CA LYS A 75 17.789 -18.826 -6.869 1.00 0.00 C ATOM 1255 C LYS A 75 17.036 -19.960 -7.566 1.00 0.00 C ATOM 1256 O LYS A 75 16.841 -21.028 -6.989 1.00 0.00 O ATOM 1257 CB LYS A 75 17.389 -18.631 -5.405 1.00 0.00 C ATOM 1258 CG LYS A 75 16.122 -17.780 -5.291 1.00 0.00 C ATOM 1259 CD LYS A 75 15.350 -18.114 -4.014 1.00 0.00 C ATOM 1260 CE LYS A 75 13.919 -18.552 -4.337 1.00 0.00 C ATOM 1261 NZ LYS A 75 13.854 -20.020 -4.515 1.00 0.00 N ATOM 0 H LYS A 75 16.722 -17.111 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 75 18.843 -19.105 -6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 75 17.223 -19.601 -4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 75 18.204 -18.151 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 75 16.388 -16.723 -5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.486 -17.950 -6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.863 -18.908 -3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.329 -17.243 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.249 -18.247 -3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.576 -18.054 -5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.877 -20.300 -4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.478 -20.303 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.161 -20.490 -3.640 1.00 0.00 H new ATOM 1275 N VAL A 76 16.633 -19.689 -8.799 1.00 0.00 N ATOM 1276 CA VAL A 76 15.905 -20.674 -9.582 1.00 0.00 C ATOM 1277 C VAL A 76 16.708 -21.014 -10.839 1.00 0.00 C ATOM 1278 O VAL A 76 16.673 -22.147 -11.315 1.00 0.00 O ATOM 1279 CB VAL A 76 14.498 -20.160 -9.892 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.591 -21.297 -10.368 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.895 -19.448 -8.679 1.00 0.00 C ATOM 0 H VAL A 76 16.797 -18.802 -9.275 1.00 0.00 H new ATOM 0 HA VAL A 76 15.782 -21.597 -9.016 1.00 0.00 H new ATOM 0 HB VAL A 76 14.577 -19.434 -10.701 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.597 -20.904 -10.581 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.008 -21.741 -11.272 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.521 -22.057 -9.590 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.895 -19.092 -8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.836 -20.143 -7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.524 -18.601 -8.405 1.00 0.00 H new ATOM 1291 N LEU A 77 17.412 -20.010 -11.342 1.00 0.00 N ATOM 1292 CA LEU A 77 18.222 -20.188 -12.535 1.00 0.00 C ATOM 1293 C LEU A 77 19.679 -19.846 -12.214 1.00 0.00 C ATOM 1294 O LEU A 77 20.508 -20.740 -12.047 1.00 0.00 O ATOM 1295 CB LEU A 77 17.644 -19.383 -13.701 1.00 0.00 C ATOM 1296 CG LEU A 77 16.129 -19.174 -13.685 1.00 0.00 C ATOM 1297 CD1 LEU A 77 15.781 -17.690 -13.555 1.00 0.00 C ATOM 1298 CD2 LEU A 77 15.475 -19.811 -14.913 1.00 0.00 C ATOM 0 H LEU A 77 17.438 -19.071 -10.945 1.00 0.00 H new ATOM 0 HA LEU A 77 18.202 -21.229 -12.856 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.126 -18.405 -13.716 1.00 0.00 H new ATOM 0 HB3 LEU A 77 17.912 -19.884 -14.631 1.00 0.00 H new ATOM 0 HG LEU A 77 15.724 -19.677 -12.807 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.698 -17.570 -13.546 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.197 -17.299 -12.627 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.200 -17.143 -14.399 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.398 -19.648 -14.877 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.881 -19.358 -15.818 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.680 -20.882 -14.920 1.00 0.00 H new ATOM 1310 N GLY A 78 19.945 -18.551 -12.136 1.00 0.00 N ATOM 1311 CA GLY A 78 21.287 -18.080 -11.837 1.00 0.00 C ATOM 1312 C GLY A 78 21.402 -16.571 -12.065 1.00 0.00 C ATOM 1313 O GLY A 78 20.479 -15.821 -11.752 1.00 0.00 O ATOM 0 H GLY A 78 19.255 -17.813 -12.275 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.537 -18.315 -10.802 1.00 0.00 H new ATOM 0 HA3 GLY A 78 22.008 -18.602 -12.466 1.00 0.00 H new ATOM 1317 N ASN A 79 22.542 -16.172 -12.607 1.00 0.00 N ATOM 1318 CA ASN A 79 22.790 -14.766 -12.880 1.00 0.00 C ATOM 1319 C ASN A 79 22.457 -14.469 -14.344 1.00 0.00 C ATOM 1320 O ASN A 79 23.031 -13.561 -14.943 1.00 0.00 O ATOM 1321 CB ASN A 79 24.259 -14.410 -12.648 1.00 0.00 C ATOM 1322 CG ASN A 79 25.069 -15.649 -12.258 1.00 0.00 C ATOM 1323 OD1 ASN A 79 25.132 -16.632 -12.977 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.681 -15.546 -11.082 1.00 0.00 N ATOM 0 H ASN A 79 23.305 -16.798 -12.865 1.00 0.00 H new ATOM 0 HA ASN A 79 22.166 -14.177 -12.208 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.677 -13.968 -13.552 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.335 -13.659 -11.862 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.246 -16.320 -10.731 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.586 -14.693 -10.530 1.00 0.00 H new ATOM 1331 N ARG A 80 21.530 -15.251 -14.877 1.00 0.00 N ATOM 1332 CA ARG A 80 21.113 -15.083 -16.259 1.00 0.00 C ATOM 1333 C ARG A 80 20.229 -13.843 -16.400 1.00 0.00 C ATOM 1334 O ARG A 80 19.155 -13.906 -16.997 1.00 0.00 O ATOM 1335 CB ARG A 80 20.344 -16.309 -16.755 1.00 0.00 C ATOM 1336 CG ARG A 80 18.925 -16.334 -16.183 1.00 0.00 C ATOM 1337 CD ARG A 80 18.438 -17.772 -15.989 1.00 0.00 C ATOM 1338 NE ARG A 80 18.255 -18.426 -17.304 1.00 0.00 N ATOM 1339 CZ ARG A 80 19.157 -19.238 -17.871 1.00 0.00 C ATOM 1340 NH1 ARG A 80 20.310 -19.501 -17.243 1.00 0.00 N ATOM 1341 NH2 ARG A 80 18.905 -19.788 -19.067 1.00 0.00 N ATOM 0 H ARG A 80 21.056 -16.003 -14.377 1.00 0.00 H new ATOM 0 HA ARG A 80 22.012 -14.963 -16.864 1.00 0.00 H new ATOM 0 HB2 ARG A 80 20.301 -16.300 -17.844 1.00 0.00 H new ATOM 0 HB3 ARG A 80 20.873 -17.217 -16.465 1.00 0.00 H new ATOM 0 HG2 ARG A 80 18.904 -15.807 -15.229 1.00 0.00 H new ATOM 0 HG3 ARG A 80 18.249 -15.805 -16.854 1.00 0.00 H new ATOM 0 HD2 ARG A 80 19.159 -18.331 -15.393 1.00 0.00 H new ATOM 0 HD3 ARG A 80 17.498 -17.775 -15.438 1.00 0.00 H new ATOM 0 HE ARG A 80 17.388 -18.247 -17.810 1.00 0.00 H new ATOM 0 HH11 ARG A 80 20.502 -19.083 -16.333 1.00 0.00 H new ATOM 0 HH12 ARG A 80 20.997 -20.119 -17.675 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.027 -19.588 -19.545 1.00 0.00 H new ATOM 0 HH22 ARG A 80 19.592 -20.406 -19.499 1.00 0.00 H new ATOM 1355 N TRP A 81 20.712 -12.744 -15.840 1.00 0.00 N ATOM 1356 CA TRP A 81 19.979 -11.491 -15.895 1.00 0.00 C ATOM 1357 C TRP A 81 19.393 -11.347 -17.301 1.00 0.00 C ATOM 1358 O TRP A 81 18.299 -10.813 -17.471 1.00 0.00 O ATOM 1359 CB TRP A 81 20.872 -10.314 -15.497 1.00 0.00 C ATOM 1360 CG TRP A 81 21.866 -10.638 -14.380 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.204 -10.667 -14.450 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.545 -10.980 -13.015 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.767 -11.001 -13.235 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.726 -11.198 -12.335 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.299 -11.102 -12.377 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.776 -11.550 -10.981 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.366 -11.455 -11.024 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.546 -11.677 -10.324 1.00 0.00 C ATOM 0 H TRP A 81 21.603 -12.695 -15.346 1.00 0.00 H new ATOM 0 HA TRP A 81 19.161 -11.492 -15.175 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.424 -9.977 -16.374 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.241 -9.484 -15.179 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.771 -10.456 -15.345 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.763 -11.087 -13.034 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.363 -10.936 -12.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.713 -11.715 -10.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.435 -11.562 -10.486 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.514 -11.946 -9.279 1.00 0.00 H new ATOM 1379 N ALA A 82 20.149 -11.835 -18.275 1.00 0.00 N ATOM 1380 CA ALA A 82 19.719 -11.768 -19.661 1.00 0.00 C ATOM 1381 C ALA A 82 18.281 -12.278 -19.770 1.00 0.00 C ATOM 1382 O ALA A 82 17.589 -11.993 -20.746 1.00 0.00 O ATOM 1383 CB ALA A 82 20.688 -12.565 -20.536 1.00 0.00 C ATOM 0 H ALA A 82 21.056 -12.278 -18.131 1.00 0.00 H new ATOM 0 HA ALA A 82 19.731 -10.738 -20.017 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.365 -12.514 -21.576 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.689 -12.144 -20.446 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.701 -13.605 -20.210 1.00 0.00 H new ATOM 1389 N GLU A 83 17.873 -13.023 -18.753 1.00 0.00 N ATOM 1390 CA GLU A 83 16.529 -13.576 -18.722 1.00 0.00 C ATOM 1391 C GLU A 83 15.713 -12.925 -17.603 1.00 0.00 C ATOM 1392 O GLU A 83 14.576 -12.510 -17.819 1.00 0.00 O ATOM 1393 CB GLU A 83 16.566 -15.097 -18.560 1.00 0.00 C ATOM 1394 CG GLU A 83 17.843 -15.682 -19.165 1.00 0.00 C ATOM 1395 CD GLU A 83 17.859 -15.509 -20.686 1.00 0.00 C ATOM 1396 OE1 GLU A 83 16.759 -15.576 -21.276 1.00 0.00 O ATOM 1397 OE2 GLU A 83 18.971 -15.313 -21.223 1.00 0.00 O ATOM 0 H GLU A 83 18.449 -13.257 -17.944 1.00 0.00 H new ATOM 0 HA GLU A 83 16.044 -13.356 -19.673 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.509 -15.355 -17.503 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.695 -15.539 -19.043 1.00 0.00 H new ATOM 0 HG2 GLU A 83 18.714 -15.191 -18.730 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.916 -16.740 -18.915 1.00 0.00 H new ATOM 1404 N ILE A 84 16.327 -12.856 -16.430 1.00 0.00 N ATOM 1405 CA ILE A 84 15.671 -12.263 -15.277 1.00 0.00 C ATOM 1406 C ILE A 84 14.947 -10.986 -15.708 1.00 0.00 C ATOM 1407 O ILE A 84 13.870 -10.678 -15.200 1.00 0.00 O ATOM 1408 CB ILE A 84 16.675 -12.047 -14.143 1.00 0.00 C ATOM 1409 CG1 ILE A 84 17.288 -13.374 -13.692 1.00 0.00 C ATOM 1410 CG2 ILE A 84 16.034 -11.287 -12.980 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.417 -14.046 -12.628 1.00 0.00 C ATOM 0 H ILE A 84 17.271 -13.201 -16.254 1.00 0.00 H new ATOM 0 HA ILE A 84 14.915 -12.940 -14.879 1.00 0.00 H new ATOM 0 HB ILE A 84 17.489 -11.429 -14.522 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.398 -14.038 -14.549 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.287 -13.200 -13.293 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.769 -11.147 -12.188 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.686 -10.314 -13.328 1.00 0.00 H new ATOM 0 HG23 ILE A 84 15.189 -11.857 -12.594 1.00 0.00 H new ATOM 0 HD11 ILE A 84 16.875 -14.987 -12.324 1.00 0.00 H new ATOM 0 HD12 ILE A 84 16.329 -13.390 -11.762 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.426 -14.240 -13.039 1.00 0.00 H new ATOM 1423 N ALA A 85 15.566 -10.278 -16.641 1.00 0.00 N ATOM 1424 CA ALA A 85 14.994 -9.042 -17.146 1.00 0.00 C ATOM 1425 C ALA A 85 13.869 -9.371 -18.130 1.00 0.00 C ATOM 1426 O ALA A 85 12.791 -8.781 -18.066 1.00 0.00 O ATOM 1427 CB ALA A 85 16.095 -8.192 -17.783 1.00 0.00 C ATOM 0 H ALA A 85 16.459 -10.537 -17.061 1.00 0.00 H new ATOM 0 HA ALA A 85 14.562 -8.459 -16.333 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.665 -7.265 -18.162 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.855 -7.961 -17.036 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.550 -8.743 -18.606 1.00 0.00 H new ATOM 1433 N LYS A 86 14.158 -10.311 -19.017 1.00 0.00 N ATOM 1434 CA LYS A 86 13.185 -10.726 -20.013 1.00 0.00 C ATOM 1435 C LYS A 86 11.852 -11.024 -19.323 1.00 0.00 C ATOM 1436 O LYS A 86 10.797 -10.970 -19.954 1.00 0.00 O ATOM 1437 CB LYS A 86 13.726 -11.895 -20.837 1.00 0.00 C ATOM 1438 CG LYS A 86 14.630 -11.398 -21.967 1.00 0.00 C ATOM 1439 CD LYS A 86 14.226 -12.018 -23.306 1.00 0.00 C ATOM 1440 CE LYS A 86 15.198 -13.127 -23.713 1.00 0.00 C ATOM 1441 NZ LYS A 86 16.171 -12.624 -24.708 1.00 0.00 N ATOM 0 H LYS A 86 15.053 -10.798 -19.067 1.00 0.00 H new ATOM 0 HA LYS A 86 13.003 -9.922 -20.726 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.285 -12.572 -20.191 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.896 -12.465 -21.255 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.572 -10.312 -22.033 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.667 -11.649 -21.744 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.217 -12.423 -23.233 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.205 -11.247 -24.076 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.726 -13.497 -22.834 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.645 -13.969 -24.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.823 -13.389 -24.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.663 -12.293 -25.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.711 -11.836 -24.298 1.00 0.00 H new ATOM 1455 N LEU A 87 11.943 -11.331 -18.038 1.00 0.00 N ATOM 1456 CA LEU A 87 10.757 -11.638 -17.256 1.00 0.00 C ATOM 1457 C LEU A 87 10.008 -10.341 -16.943 1.00 0.00 C ATOM 1458 O LEU A 87 8.779 -10.307 -16.972 1.00 0.00 O ATOM 1459 CB LEU A 87 11.130 -12.448 -16.013 1.00 0.00 C ATOM 1460 CG LEU A 87 11.373 -13.943 -16.234 1.00 0.00 C ATOM 1461 CD1 LEU A 87 12.687 -14.385 -15.588 1.00 0.00 C ATOM 1462 CD2 LEU A 87 10.185 -14.771 -15.742 1.00 0.00 C ATOM 0 H LEU A 87 12.820 -11.374 -17.518 1.00 0.00 H new ATOM 0 HA LEU A 87 10.077 -12.269 -17.827 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.030 -12.014 -15.578 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.334 -12.334 -15.277 1.00 0.00 H new ATOM 0 HG LEU A 87 11.465 -14.119 -17.306 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.836 -15.451 -15.759 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.514 -13.828 -16.028 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.648 -14.192 -14.516 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.384 -15.829 -15.911 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.036 -14.596 -14.677 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.287 -14.479 -16.287 1.00 0.00 H new ATOM 1474 N LEU A 88 10.781 -9.305 -16.651 1.00 0.00 N ATOM 1475 CA LEU A 88 10.206 -8.009 -16.333 1.00 0.00 C ATOM 1476 C LEU A 88 10.378 -7.072 -17.530 1.00 0.00 C ATOM 1477 O LEU A 88 11.501 -6.773 -17.933 1.00 0.00 O ATOM 1478 CB LEU A 88 10.802 -7.463 -15.034 1.00 0.00 C ATOM 1479 CG LEU A 88 10.698 -8.377 -13.812 1.00 0.00 C ATOM 1480 CD1 LEU A 88 11.757 -8.018 -12.767 1.00 0.00 C ATOM 1481 CD2 LEU A 88 9.285 -8.353 -13.227 1.00 0.00 C ATOM 0 H LEU A 88 11.800 -9.337 -16.628 1.00 0.00 H new ATOM 0 HA LEU A 88 9.135 -8.101 -16.151 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.855 -7.239 -15.207 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.309 -6.519 -14.800 1.00 0.00 H new ATOM 0 HG LEU A 88 10.896 -9.400 -14.133 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.661 -8.683 -11.909 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.750 -8.129 -13.202 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.615 -6.986 -12.445 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.239 -9.011 -12.359 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.034 -7.336 -12.925 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.574 -8.694 -13.979 1.00 0.00 H new ATOM 1493 N PRO A 89 9.217 -6.623 -18.080 1.00 0.00 N ATOM 1494 CA PRO A 89 9.229 -5.726 -19.223 1.00 0.00 C ATOM 1495 C PRO A 89 9.620 -4.308 -18.803 1.00 0.00 C ATOM 1496 O PRO A 89 8.831 -3.603 -18.175 1.00 0.00 O ATOM 1497 CB PRO A 89 7.826 -5.809 -19.802 1.00 0.00 C ATOM 1498 CG PRO A 89 6.953 -6.383 -18.698 1.00 0.00 C ATOM 1499 CD PRO A 89 7.869 -6.956 -17.629 1.00 0.00 C ATOM 0 HA PRO A 89 9.971 -6.006 -19.970 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.471 -4.825 -20.109 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.806 -6.445 -20.687 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.312 -5.608 -18.276 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.297 -7.158 -19.094 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.659 -6.520 -16.652 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.739 -8.034 -17.532 1.00 0.00 H new ATOM 1507 N GLY A 90 10.837 -3.931 -19.167 1.00 0.00 N ATOM 1508 CA GLY A 90 11.341 -2.609 -18.836 1.00 0.00 C ATOM 1509 C GLY A 90 12.851 -2.645 -18.592 1.00 0.00 C ATOM 1510 O GLY A 90 13.534 -1.635 -18.756 1.00 0.00 O ATOM 0 H GLY A 90 11.489 -4.518 -19.688 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.116 -1.916 -19.647 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.834 -2.234 -17.947 1.00 0.00 H new ATOM 1514 N ARG A 91 13.328 -3.818 -18.203 1.00 0.00 N ATOM 1515 CA ARG A 91 14.745 -3.998 -17.934 1.00 0.00 C ATOM 1516 C ARG A 91 15.381 -4.880 -19.010 1.00 0.00 C ATOM 1517 O ARG A 91 14.680 -5.581 -19.738 1.00 0.00 O ATOM 1518 CB ARG A 91 14.968 -4.638 -16.563 1.00 0.00 C ATOM 1519 CG ARG A 91 14.303 -3.813 -15.458 1.00 0.00 C ATOM 1520 CD ARG A 91 14.892 -2.403 -15.398 1.00 0.00 C ATOM 1521 NE ARG A 91 14.906 -1.919 -13.999 1.00 0.00 N ATOM 1522 CZ ARG A 91 13.843 -1.395 -13.375 1.00 0.00 C ATOM 1523 NH1 ARG A 91 12.674 -1.282 -14.022 1.00 0.00 N ATOM 1524 NH2 ARG A 91 13.947 -0.982 -12.104 1.00 0.00 N ATOM 0 H ARG A 91 12.759 -4.653 -18.068 1.00 0.00 H new ATOM 0 HA ARG A 91 15.212 -3.013 -17.943 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.563 -5.650 -16.560 1.00 0.00 H new ATOM 0 HB3 ARG A 91 16.037 -4.722 -16.366 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.230 -3.755 -15.638 1.00 0.00 H new ATOM 0 HG3 ARG A 91 14.439 -4.309 -14.497 1.00 0.00 H new ATOM 0 HD2 ARG A 91 15.905 -2.406 -15.801 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.304 -1.728 -16.019 1.00 0.00 H new ATOM 0 HE ARG A 91 15.780 -1.989 -13.478 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.594 -1.595 -14.989 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.865 -0.883 -13.547 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.836 -1.067 -11.611 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.137 -0.583 -11.629 1.00 0.00 H new ATOM 1538 N THR A 92 16.703 -4.817 -19.077 1.00 0.00 N ATOM 1539 CA THR A 92 17.442 -5.601 -20.052 1.00 0.00 C ATOM 1540 C THR A 92 18.274 -6.676 -19.351 1.00 0.00 C ATOM 1541 O THR A 92 18.144 -7.862 -19.651 1.00 0.00 O ATOM 1542 CB THR A 92 18.280 -4.638 -20.896 1.00 0.00 C ATOM 1543 OG1 THR A 92 19.310 -4.207 -20.011 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.524 -3.354 -21.242 1.00 0.00 C ATOM 0 H THR A 92 17.282 -4.235 -18.471 1.00 0.00 H new ATOM 0 HA THR A 92 16.769 -6.139 -20.719 1.00 0.00 H new ATOM 0 HB THR A 92 18.590 -5.136 -21.815 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.901 -3.580 -20.478 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.163 -2.706 -21.841 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.626 -3.602 -21.808 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.243 -2.838 -20.324 1.00 0.00 H new ATOM 1552 N ASP A 93 19.112 -6.224 -18.429 1.00 0.00 N ATOM 1553 CA ASP A 93 19.966 -7.132 -17.683 1.00 0.00 C ATOM 1554 C ASP A 93 20.787 -6.335 -16.668 1.00 0.00 C ATOM 1555 O ASP A 93 20.630 -6.512 -15.461 1.00 0.00 O ATOM 1556 CB ASP A 93 20.940 -7.861 -18.612 1.00 0.00 C ATOM 1557 CG ASP A 93 21.368 -7.069 -19.849 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.597 -7.094 -20.833 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.456 -6.458 -19.784 1.00 0.00 O ATOM 0 H ASP A 93 19.217 -5.240 -18.182 1.00 0.00 H new ATOM 0 HA ASP A 93 19.328 -7.862 -17.185 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.831 -8.127 -18.043 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.479 -8.794 -18.938 1.00 0.00 H new ATOM 1564 N ASN A 94 21.646 -5.475 -17.194 1.00 0.00 N ATOM 1565 CA ASN A 94 22.493 -4.650 -16.349 1.00 0.00 C ATOM 1566 C ASN A 94 21.656 -4.071 -15.207 1.00 0.00 C ATOM 1567 O ASN A 94 22.174 -3.812 -14.122 1.00 0.00 O ATOM 1568 CB ASN A 94 23.088 -3.482 -17.138 1.00 0.00 C ATOM 1569 CG ASN A 94 22.183 -3.092 -18.308 1.00 0.00 C ATOM 1570 OD1 ASN A 94 21.066 -2.632 -18.136 1.00 0.00 O ATOM 1571 ND2 ASN A 94 22.725 -3.301 -19.504 1.00 0.00 N ATOM 0 H ASN A 94 21.774 -5.331 -18.196 1.00 0.00 H new ATOM 0 HA ASN A 94 23.300 -5.275 -15.967 1.00 0.00 H new ATOM 0 HB2 ASN A 94 23.225 -2.625 -16.478 1.00 0.00 H new ATOM 0 HB3 ASN A 94 24.074 -3.757 -17.512 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.200 -3.073 -20.349 1.00 0.00 H new ATOM 0 HD22 ASN A 94 23.665 -3.689 -19.577 1.00 0.00 H new ATOM 1578 N ALA A 95 20.375 -3.885 -15.490 1.00 0.00 N ATOM 1579 CA ALA A 95 19.461 -3.341 -14.499 1.00 0.00 C ATOM 1580 C ALA A 95 19.308 -4.340 -13.350 1.00 0.00 C ATOM 1581 O ALA A 95 19.719 -4.064 -12.225 1.00 0.00 O ATOM 1582 CB ALA A 95 18.124 -3.010 -15.166 1.00 0.00 C ATOM 0 H ALA A 95 19.948 -4.101 -16.391 1.00 0.00 H new ATOM 0 HA ALA A 95 19.855 -2.415 -14.080 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.438 -2.602 -14.424 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.283 -2.275 -15.955 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.697 -3.917 -15.595 1.00 0.00 H new ATOM 1588 N VAL A 96 18.715 -5.480 -13.674 1.00 0.00 N ATOM 1589 CA VAL A 96 18.502 -6.521 -12.683 1.00 0.00 C ATOM 1590 C VAL A 96 19.845 -6.904 -12.057 1.00 0.00 C ATOM 1591 O VAL A 96 20.003 -6.851 -10.838 1.00 0.00 O ATOM 1592 CB VAL A 96 17.779 -7.709 -13.320 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.525 -8.812 -12.290 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.472 -7.265 -13.981 1.00 0.00 C ATOM 0 H VAL A 96 18.375 -5.705 -14.609 1.00 0.00 H new ATOM 0 HA VAL A 96 17.860 -6.159 -11.880 1.00 0.00 H new ATOM 0 HB VAL A 96 18.425 -8.118 -14.097 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.010 -9.645 -12.768 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.476 -9.158 -11.885 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.908 -8.420 -11.482 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.978 -8.128 -14.426 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.818 -6.819 -13.231 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.688 -6.531 -14.757 1.00 0.00 H new ATOM 1604 N LYS A 97 20.777 -7.283 -12.919 1.00 0.00 N ATOM 1605 CA LYS A 97 22.101 -7.675 -12.465 1.00 0.00 C ATOM 1606 C LYS A 97 22.533 -6.761 -11.317 1.00 0.00 C ATOM 1607 O LYS A 97 22.670 -7.209 -10.180 1.00 0.00 O ATOM 1608 CB LYS A 97 23.084 -7.697 -13.637 1.00 0.00 C ATOM 1609 CG LYS A 97 24.496 -8.045 -13.162 1.00 0.00 C ATOM 1610 CD LYS A 97 25.435 -8.269 -14.349 1.00 0.00 C ATOM 1611 CE LYS A 97 25.819 -6.939 -15.001 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.281 -6.721 -14.911 1.00 0.00 N ATOM 0 H LYS A 97 20.642 -7.327 -13.929 1.00 0.00 H new ATOM 0 HA LYS A 97 22.084 -8.692 -12.074 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.756 -8.426 -14.378 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.091 -6.724 -14.128 1.00 0.00 H new ATOM 0 HG2 LYS A 97 24.881 -7.240 -12.536 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.465 -8.942 -12.544 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.334 -8.787 -14.014 1.00 0.00 H new ATOM 0 HD3 LYS A 97 24.951 -8.912 -15.084 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.508 -6.936 -16.046 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.292 -6.121 -14.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.525 -5.814 -15.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.568 -6.703 -13.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.778 -7.493 -15.400 1.00 0.00 H new ATOM 1626 N ASN A 98 22.736 -5.496 -11.654 1.00 0.00 N ATOM 1627 CA ASN A 98 23.150 -4.515 -10.665 1.00 0.00 C ATOM 1628 C ASN A 98 22.162 -4.527 -9.497 1.00 0.00 C ATOM 1629 O ASN A 98 22.561 -4.679 -8.344 1.00 0.00 O ATOM 1630 CB ASN A 98 23.162 -3.105 -11.260 1.00 0.00 C ATOM 1631 CG ASN A 98 24.128 -2.196 -10.496 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.898 -1.818 -9.359 1.00 0.00 O ATOM 1633 ND2 ASN A 98 25.219 -1.868 -11.183 1.00 0.00 N ATOM 0 H ASN A 98 22.622 -5.128 -12.598 1.00 0.00 H new ATOM 0 HA ASN A 98 24.155 -4.775 -10.332 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.454 -3.152 -12.309 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.157 -2.684 -11.227 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.925 -1.265 -10.761 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.349 -2.219 -12.132 1.00 0.00 H new ATOM 1640 N HIS A 99 20.892 -4.364 -9.836 1.00 0.00 N ATOM 1641 CA HIS A 99 19.844 -4.354 -8.830 1.00 0.00 C ATOM 1642 C HIS A 99 20.090 -5.478 -7.821 1.00 0.00 C ATOM 1643 O HIS A 99 19.681 -5.381 -6.665 1.00 0.00 O ATOM 1644 CB HIS A 99 18.463 -4.435 -9.482 1.00 0.00 C ATOM 1645 CG HIS A 99 17.332 -4.650 -8.504 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.162 -3.871 -7.373 1.00 0.00 N ATOM 1647 CD2 HIS A 99 16.318 -5.562 -8.500 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.091 -4.305 -6.724 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.570 -5.353 -7.424 1.00 0.00 N ATOM 0 H HIS A 99 20.565 -4.238 -10.794 1.00 0.00 H new ATOM 0 HA HIS A 99 19.869 -3.411 -8.284 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.280 -3.514 -10.036 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.462 -5.249 -10.207 1.00 0.00 H new ATOM 0 HD2 HIS A 99 16.152 -6.325 -9.246 1.00 0.00 H new ATOM 0 HE1 HIS A 99 15.700 -3.900 -5.803 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.742 -5.888 -7.163 1.00 0.00 H new ATOM 1657 N TRP A 100 20.758 -6.519 -8.296 1.00 0.00 N ATOM 1658 CA TRP A 100 21.063 -7.661 -7.450 1.00 0.00 C ATOM 1659 C TRP A 100 21.970 -7.179 -6.316 1.00 0.00 C ATOM 1660 O TRP A 100 21.576 -7.196 -5.151 1.00 0.00 O ATOM 1661 CB TRP A 100 21.680 -8.798 -8.267 1.00 0.00 C ATOM 1662 CG TRP A 100 21.523 -10.179 -7.627 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.480 -11.077 -7.356 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.290 -10.788 -7.188 1.00 0.00 C ATOM 1665 NE1 TRP A 100 21.957 -12.214 -6.776 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.583 -12.033 -6.670 1.00 0.00 C ATOM 1667 CE3 TRP A 100 18.971 -10.303 -7.226 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.610 -12.896 -6.152 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.011 -11.177 -6.705 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.289 -12.434 -6.180 1.00 0.00 C ATOM 0 H TRP A 100 21.096 -6.596 -9.255 1.00 0.00 H new ATOM 0 HA TRP A 100 20.153 -8.075 -7.016 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.221 -8.812 -9.255 1.00 0.00 H new ATOM 0 HB3 TRP A 100 22.741 -8.594 -8.411 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.529 -10.929 -7.565 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.482 -13.037 -6.479 1.00 0.00 H new ATOM 0 HE3 TRP A 100 18.719 -9.332 -7.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.865 -13.866 -5.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 16.981 -10.852 -6.711 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.490 -13.051 -5.796 1.00 0.00 H new ATOM 1681 N ASN A 101 23.169 -6.762 -6.696 1.00 0.00 N ATOM 1682 CA ASN A 101 24.135 -6.277 -5.725 1.00 0.00 C ATOM 1683 C ASN A 101 23.737 -4.869 -5.276 1.00 0.00 C ATOM 1684 O ASN A 101 24.397 -4.276 -4.423 1.00 0.00 O ATOM 1685 CB ASN A 101 25.537 -6.200 -6.334 1.00 0.00 C ATOM 1686 CG ASN A 101 26.090 -7.598 -6.615 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.421 -8.355 -5.718 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.170 -7.898 -7.909 1.00 0.00 N ATOM 0 H ASN A 101 23.493 -6.750 -7.663 1.00 0.00 H new ATOM 0 HA ASN A 101 24.145 -6.970 -4.884 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.504 -5.625 -7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.204 -5.671 -5.654 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.526 -8.809 -8.200 1.00 0.00 H new ATOM 0 HD22 ASN A 101 25.876 -7.217 -8.609 1.00 0.00 H new ATOM 1695 N SER A 102 22.660 -4.376 -5.868 1.00 0.00 N ATOM 1696 CA SER A 102 22.166 -3.049 -5.539 1.00 0.00 C ATOM 1697 C SER A 102 21.425 -3.084 -4.202 1.00 0.00 C ATOM 1698 O SER A 102 21.946 -2.624 -3.187 1.00 0.00 O ATOM 1699 CB SER A 102 21.249 -2.514 -6.641 1.00 0.00 C ATOM 1700 OG SER A 102 21.220 -1.090 -6.666 1.00 0.00 O ATOM 0 H SER A 102 22.115 -4.871 -6.574 1.00 0.00 H new ATOM 0 HA SER A 102 23.020 -2.376 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 102 21.588 -2.887 -7.608 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.239 -2.895 -6.489 1.00 0.00 H new ATOM 0 HG SER A 102 20.625 -0.787 -7.384 1.00 0.00 H new ATOM 1706 N THR A 103 20.220 -3.634 -4.243 1.00 0.00 N ATOM 1707 CA THR A 103 19.402 -3.735 -3.046 1.00 0.00 C ATOM 1708 C THR A 103 19.186 -5.202 -2.670 1.00 0.00 C ATOM 1709 O THR A 103 18.801 -5.507 -1.542 1.00 0.00 O ATOM 1710 CB THR A 103 18.099 -2.974 -3.300 1.00 0.00 C ATOM 1711 OG1 THR A 103 18.382 -1.647 -2.866 1.00 0.00 O ATOM 1712 CG2 THR A 103 16.965 -3.433 -2.381 1.00 0.00 C ATOM 0 H THR A 103 19.791 -4.014 -5.086 1.00 0.00 H new ATOM 0 HA THR A 103 19.898 -3.282 -2.187 1.00 0.00 H new ATOM 0 HB THR A 103 17.799 -3.104 -4.340 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.590 -1.084 -2.997 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.063 -2.862 -2.602 1.00 0.00 H new ATOM 0 HG22 THR A 103 16.772 -4.493 -2.543 1.00 0.00 H new ATOM 0 HG23 THR A 103 17.251 -3.271 -1.342 1.00 0.00 H new ATOM 1720 N ILE A 104 19.443 -6.072 -3.636 1.00 0.00 N ATOM 1721 CA ILE A 104 19.282 -7.499 -3.420 1.00 0.00 C ATOM 1722 C ILE A 104 20.571 -8.070 -2.826 1.00 0.00 C ATOM 1723 O ILE A 104 20.890 -9.240 -3.034 1.00 0.00 O ATOM 1724 CB ILE A 104 18.841 -8.190 -4.712 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.785 -7.361 -5.445 1.00 0.00 C ATOM 1726 CG2 ILE A 104 18.359 -9.616 -4.435 1.00 0.00 C ATOM 1727 CD1 ILE A 104 16.425 -7.467 -4.751 1.00 0.00 C ATOM 0 H ILE A 104 19.762 -5.815 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 104 18.488 -7.687 -2.698 1.00 0.00 H new ATOM 0 HB ILE A 104 19.706 -8.265 -5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 104 18.098 -6.318 -5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 104 17.699 -7.705 -6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.051 -10.084 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.169 -10.194 -3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.513 -9.587 -3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.693 -6.868 -5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 104 16.104 -8.508 -4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.509 -7.100 -3.728 1.00 0.00 H new ATOM 1739 N LYS A 105 21.278 -7.218 -2.099 1.00 0.00 N ATOM 1740 CA LYS A 105 22.526 -7.622 -1.474 1.00 0.00 C ATOM 1741 C LYS A 105 22.771 -6.764 -0.231 1.00 0.00 C ATOM 1742 O LYS A 105 23.572 -5.831 -0.265 1.00 0.00 O ATOM 1743 CB LYS A 105 23.671 -7.579 -2.487 1.00 0.00 C ATOM 1744 CG LYS A 105 23.598 -8.767 -3.448 1.00 0.00 C ATOM 1745 CD LYS A 105 23.553 -10.091 -2.682 1.00 0.00 C ATOM 1746 CE LYS A 105 24.570 -11.085 -3.244 1.00 0.00 C ATOM 1747 NZ LYS A 105 24.500 -12.369 -2.511 1.00 0.00 N ATOM 0 H LYS A 105 21.010 -6.249 -1.929 1.00 0.00 H new ATOM 0 HA LYS A 105 22.466 -8.658 -1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.627 -6.647 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.626 -7.589 -1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.712 -8.677 -4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.463 -8.756 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.759 -9.912 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.551 -10.517 -2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.376 -11.253 -4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.575 -10.669 -3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 25.197 -13.032 -2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 24.708 -12.206 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 23.546 -12.772 -2.607 1.00 0.00 H new ATOM 1761 N ARG A 106 22.066 -7.109 0.836 1.00 0.00 N ATOM 1762 CA ARG A 106 22.196 -6.382 2.087 1.00 0.00 C ATOM 1763 C ARG A 106 23.609 -6.546 2.651 1.00 0.00 C ATOM 1764 O ARG A 106 24.192 -5.591 3.162 1.00 0.00 O ATOM 1765 CB ARG A 106 21.181 -6.875 3.120 1.00 0.00 C ATOM 1766 CG ARG A 106 21.305 -8.385 3.332 1.00 0.00 C ATOM 1767 CD ARG A 106 19.931 -9.023 3.547 1.00 0.00 C ATOM 1768 NE ARG A 106 19.624 -9.950 2.436 1.00 0.00 N ATOM 1769 CZ ARG A 106 18.590 -10.803 2.433 1.00 0.00 C ATOM 1770 NH1 ARG A 106 17.758 -10.851 3.482 1.00 0.00 N ATOM 1771 NH2 ARG A 106 18.388 -11.607 1.380 1.00 0.00 N ATOM 0 H ARG A 106 21.402 -7.883 0.860 1.00 0.00 H new ATOM 0 HA ARG A 106 22.003 -5.329 1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 106 21.339 -6.357 4.066 1.00 0.00 H new ATOM 0 HB3 ARG A 106 20.172 -6.632 2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 106 21.789 -8.839 2.467 1.00 0.00 H new ATOM 0 HG3 ARG A 106 21.941 -8.584 4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 106 19.915 -9.561 4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 106 19.167 -8.248 3.607 1.00 0.00 H new ATOM 0 HE ARG A 106 20.237 -9.940 1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 106 17.911 -10.238 4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 106 16.971 -11.500 3.480 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.021 -11.570 0.581 1.00 0.00 H new ATOM 0 HH22 ARG A 106 17.601 -12.256 1.378 1.00 0.00 H new ATOM 1785 N LYS A 107 24.118 -7.765 2.540 1.00 0.00 N ATOM 1786 CA LYS A 107 25.451 -8.066 3.033 1.00 0.00 C ATOM 1787 C LYS A 107 26.484 -7.658 1.981 1.00 0.00 C ATOM 1788 O LYS A 107 27.115 -8.513 1.361 1.00 0.00 O ATOM 1789 CB LYS A 107 25.547 -9.535 3.452 1.00 0.00 C ATOM 1790 CG LYS A 107 27.001 -10.013 3.446 1.00 0.00 C ATOM 1791 CD LYS A 107 27.320 -10.816 4.708 1.00 0.00 C ATOM 1792 CE LYS A 107 28.796 -10.681 5.085 1.00 0.00 C ATOM 1793 NZ LYS A 107 29.214 -11.805 5.954 1.00 0.00 N ATOM 0 H LYS A 107 23.631 -8.555 2.116 1.00 0.00 H new ATOM 0 HA LYS A 107 25.665 -7.487 3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 107 25.123 -9.661 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 107 24.955 -10.150 2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 107 27.182 -10.628 2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 107 27.669 -9.155 3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 107 26.697 -10.468 5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 107 27.077 -11.866 4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 107 29.408 -10.664 4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 107 28.961 -9.735 5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 30.219 -11.698 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 28.642 -11.804 6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 29.075 -12.704 5.450 1.00 0.00 H new ATOM 1807 N VAL A 108 26.624 -6.352 1.811 1.00 0.00 N ATOM 1808 CA VAL A 108 27.570 -5.820 0.844 1.00 0.00 C ATOM 1809 C VAL A 108 28.027 -4.432 1.296 1.00 0.00 C ATOM 1810 O VAL A 108 29.221 -4.134 1.286 1.00 0.00 O ATOM 1811 CB VAL A 108 26.945 -5.819 -0.552 1.00 0.00 C ATOM 1812 CG1 VAL A 108 26.979 -4.418 -1.167 1.00 0.00 C ATOM 1813 CG2 VAL A 108 27.637 -6.835 -1.463 1.00 0.00 C ATOM 0 H VAL A 108 26.098 -5.646 2.326 1.00 0.00 H new ATOM 0 HA VAL A 108 28.456 -6.452 0.788 1.00 0.00 H new ATOM 0 HB VAL A 108 25.901 -6.115 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 108 26.529 -4.445 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 108 26.420 -3.729 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 108 28.012 -4.081 -1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 108 27.174 -6.814 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 108 28.694 -6.583 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 108 27.538 -7.833 -1.036 1.00 0.00 H new ATOM 1823 N ASP A 109 27.054 -3.619 1.680 1.00 0.00 N ATOM 1824 CA ASP A 109 27.342 -2.269 2.134 1.00 0.00 C ATOM 1825 C ASP A 109 26.223 -1.799 3.066 1.00 0.00 C ATOM 1826 O ASP A 109 25.320 -1.079 2.643 1.00 0.00 O ATOM 1827 CB ASP A 109 27.415 -1.296 0.956 1.00 0.00 C ATOM 1828 CG ASP A 109 28.315 -0.078 1.178 1.00 0.00 C ATOM 1829 OD1 ASP A 109 28.318 0.424 2.323 1.00 0.00 O ATOM 1830 OD2 ASP A 109 28.980 0.322 0.198 1.00 0.00 O ATOM 0 H ASP A 109 26.065 -3.869 1.686 1.00 0.00 H new ATOM 0 HA ASP A 109 28.302 -2.284 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 109 27.771 -1.837 0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 109 26.407 -0.948 0.729 1.00 0.00 H new ATOM 1835 N THR A 110 26.320 -2.226 4.316 1.00 0.00 N ATOM 1836 CA THR A 110 25.327 -1.859 5.312 1.00 0.00 C ATOM 1837 C THR A 110 23.927 -1.858 4.694 1.00 0.00 C ATOM 1838 O THR A 110 22.944 -2.147 5.374 1.00 0.00 O ATOM 1839 CB THR A 110 25.730 -0.507 5.904 1.00 0.00 C ATOM 1840 OG1 THR A 110 24.656 -0.178 6.781 1.00 0.00 O ATOM 1841 CG2 THR A 110 25.720 0.615 4.865 1.00 0.00 C ATOM 0 H THR A 110 27.071 -2.823 4.662 1.00 0.00 H new ATOM 0 HA THR A 110 25.290 -2.588 6.122 1.00 0.00 H new ATOM 0 HB THR A 110 26.725 -0.586 6.342 1.00 0.00 H new ATOM 0 HG1 THR A 110 24.836 0.685 7.209 1.00 0.00 H new ATOM 0 HG21 THR A 110 26.013 1.552 5.338 1.00 0.00 H new ATOM 0 HG22 THR A 110 26.422 0.377 4.066 1.00 0.00 H new ATOM 0 HG23 THR A 110 24.718 0.717 4.449 1.00 0.00 H new TER 1849 THR A 110