USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1076 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 82 ASN : amide:sc= 0.0202 K(o=-0.19,f=-2.7) USER MOD Set 1.2: A 86 LYS NZ :NH3+ -167:sc= -0.209 (180deg=-0.688) USER MOD Set 2.1: A 71 THR OG1 : rot 149:sc= -7.21! USER MOD Set 2.2: A 73 HIS : no HE2:sc= -10.2! C(o=-42!,f=-43!) USER MOD Set 2.3: A 75 HIS : no HE2:sc= -24.2! C(o=-42!,f=-52!) USER MOD Set 3.1: A 60 ASN :FLIP amide:sc= -6.71! C(o=-22!,f=-14!) USER MOD Set 3.2: A 65 ASN : amide:sc= -7.62! C(o=-14!,f=-16!) USER MOD Set 4.1: A 57 SER OG : rot -88:sc= 1.77 USER MOD Set 4.2: A 59 HIS : no HD1:sc= -8.94! C(o=-7.2!,f=-12!) USER MOD Set 5.1: A 50 LYS NZ :NH3+ -130:sc= -1.62! (180deg=-5.55!) USER MOD Set 5.2: A 83 TYR OH : rot 14:sc= -2.31! USER MOD Set 6.1: A 35 THR OG1 : rot -78:sc= -3.91! USER MOD Set 6.2: A 36 THR OG1 : rot 170:sc= 0 USER MOD Set 6.3: A 39 LYS NZ :NH3+ -168:sc= -0.747 (180deg=-1.77) USER MOD Set 6.4: A 88 CYS SG : rot -8:sc= -0.551 USER MOD Set 6.5: A 91 SER OG : rot -108:sc= 0.239 USER MOD Set 7.1: A 34 TYR OH : rot 130:sc= -2.49! USER MOD Set 7.2: A 61 SER OG : rot 74:sc= -0.778! USER MOD Set 7.3: A 64 HIS : no HD1:sc= -21! C(o=-24!,f=-24!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0261 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0166 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -4.55! C(o=-7!,f=-4.5!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0772 USER MOD Single : A 25 ASN : amide:sc= 0.0471 X(o=0.047,f=0) USER MOD Single : A 27 THR OG1 : rot 31:sc= -0.0361 USER MOD Single : A 30 CYS SG : rot 30:sc= -4.18! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 145:sc= -0.37 USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= -0.172 (180deg=-1.09) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 152:sc= -1.55 (180deg=-4.24!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -45:sc= -0.984! USER MOD Single : A 62 TYR OH : rot 154:sc= 0.916 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 78 SER OG : rot 180:sc= -1.85! USER MOD Single : A 81 ASN :FLIP amide:sc= -2.23! C(o=-6!,f=-2.2!) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.15 F(o=-2.3,f=-0.15) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -55:sc= -4.88! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.954 K(o=-0.95,f=-4!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -118:sc= -0.165 (180deg=-2.84!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 170:sc= -0.985! USER MOD Single : A 109 THR OG1 : rot -48:sc= 0.941 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 140:sc= 0.00634 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HE2:sc= -6.65! C(o=-6.7!,f=-15!) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 108.929 -16.529 23.042 1.00 0.00 N ATOM 2 CA GLY A 1 110.065 -15.845 23.803 1.00 0.00 C ATOM 3 C GLY A 1 109.960 -14.393 24.125 1.00 0.00 C ATOM 4 O GLY A 1 108.911 -13.794 23.996 1.00 0.00 O ATOM 0 H1 GLY A 1 109.161 -17.533 22.901 1.00 0.00 H new ATOM 0 H2 GLY A 1 108.048 -16.450 23.589 1.00 0.00 H new ATOM 0 H3 GLY A 1 108.804 -16.069 22.117 1.00 0.00 H new ATOM 0 HA2 GLY A 1 110.197 -16.380 24.743 1.00 0.00 H new ATOM 0 HA3 GLY A 1 110.978 -15.987 23.225 1.00 0.00 H new ATOM 10 N SER A 2 111.036 -13.791 24.550 1.00 0.00 N ATOM 11 CA SER A 2 110.994 -12.341 24.890 1.00 0.00 C ATOM 12 C SER A 2 110.446 -11.554 23.697 1.00 0.00 C ATOM 13 O SER A 2 109.781 -10.550 23.857 1.00 0.00 O ATOM 14 CB SER A 2 112.405 -11.853 25.217 1.00 0.00 C ATOM 15 OG SER A 2 112.322 -10.636 25.948 1.00 0.00 O ATOM 0 H SER A 2 111.943 -14.240 24.677 1.00 0.00 H new ATOM 0 HA SER A 2 110.348 -12.189 25.754 1.00 0.00 H new ATOM 0 HB2 SER A 2 112.937 -12.605 25.799 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.972 -11.701 24.299 1.00 0.00 H new ATOM 0 HG SER A 2 113.225 -10.320 26.161 1.00 0.00 H new ATOM 21 N LYS A 3 110.722 -12.001 22.502 1.00 0.00 N ATOM 22 CA LYS A 3 110.216 -11.276 21.302 1.00 0.00 C ATOM 23 C LYS A 3 110.710 -9.827 21.334 1.00 0.00 C ATOM 24 O LYS A 3 110.081 -8.959 21.903 1.00 0.00 O ATOM 25 CB LYS A 3 108.686 -11.294 21.303 1.00 0.00 C ATOM 26 CG LYS A 3 108.190 -12.645 20.780 1.00 0.00 C ATOM 27 CD LYS A 3 106.790 -12.480 20.185 1.00 0.00 C ATOM 28 CE LYS A 3 106.893 -11.808 18.815 1.00 0.00 C ATOM 29 NZ LYS A 3 105.575 -11.218 18.449 1.00 0.00 N ATOM 0 H LYS A 3 111.275 -12.835 22.305 1.00 0.00 H new ATOM 0 HA LYS A 3 110.585 -11.765 20.400 1.00 0.00 H new ATOM 0 HB2 LYS A 3 108.311 -11.123 22.312 1.00 0.00 H new ATOM 0 HB3 LYS A 3 108.302 -10.487 20.679 1.00 0.00 H new ATOM 0 HG2 LYS A 3 108.875 -13.028 20.024 1.00 0.00 H new ATOM 0 HG3 LYS A 3 108.169 -13.375 21.589 1.00 0.00 H new ATOM 0 HD2 LYS A 3 106.307 -13.453 20.089 1.00 0.00 H new ATOM 0 HD3 LYS A 3 106.169 -11.880 20.850 1.00 0.00 H new ATOM 0 HE2 LYS A 3 107.658 -11.031 18.836 1.00 0.00 H new ATOM 0 HE3 LYS A 3 107.199 -12.536 18.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 105.646 -10.761 17.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 104.857 -11.969 18.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 105.301 -10.511 19.161 1.00 0.00 H new ATOM 43 N VAL A 4 111.837 -9.563 20.728 1.00 0.00 N ATOM 44 CA VAL A 4 112.376 -8.175 20.723 1.00 0.00 C ATOM 45 C VAL A 4 111.244 -7.182 20.451 1.00 0.00 C ATOM 46 O VAL A 4 110.163 -7.554 20.041 1.00 0.00 O ATOM 47 CB VAL A 4 113.437 -8.045 19.629 1.00 0.00 C ATOM 48 CG1 VAL A 4 112.762 -8.079 18.256 1.00 0.00 C ATOM 49 CG2 VAL A 4 114.182 -6.719 19.796 1.00 0.00 C ATOM 0 H VAL A 4 112.407 -10.251 20.236 1.00 0.00 H new ATOM 0 HA VAL A 4 112.821 -7.959 21.694 1.00 0.00 H new ATOM 0 HB VAL A 4 114.143 -8.872 19.708 1.00 0.00 H new ATOM 0 HG11 VAL A 4 113.518 -7.986 17.476 1.00 0.00 H new ATOM 0 HG12 VAL A 4 112.230 -9.023 18.135 1.00 0.00 H new ATOM 0 HG13 VAL A 4 112.056 -7.252 18.177 1.00 0.00 H new ATOM 0 HG21 VAL A 4 114.938 -6.626 19.017 1.00 0.00 H new ATOM 0 HG22 VAL A 4 113.476 -5.892 19.717 1.00 0.00 H new ATOM 0 HG23 VAL A 4 114.663 -6.693 20.774 1.00 0.00 H new ATOM 59 N GLU A 5 111.485 -5.919 20.674 1.00 0.00 N ATOM 60 CA GLU A 5 110.426 -4.901 20.427 1.00 0.00 C ATOM 61 C GLU A 5 110.212 -4.751 18.919 1.00 0.00 C ATOM 62 O GLU A 5 111.046 -4.222 18.213 1.00 0.00 O ATOM 63 CB GLU A 5 110.861 -3.558 21.018 1.00 0.00 C ATOM 64 CG GLU A 5 109.884 -3.143 22.120 1.00 0.00 C ATOM 65 CD GLU A 5 109.951 -4.151 23.268 1.00 0.00 C ATOM 66 OE1 GLU A 5 111.031 -4.657 23.525 1.00 0.00 O ATOM 67 OE2 GLU A 5 108.921 -4.400 23.873 1.00 0.00 O ATOM 0 H GLU A 5 112.371 -5.548 21.017 1.00 0.00 H new ATOM 0 HA GLU A 5 109.496 -5.219 20.898 1.00 0.00 H new ATOM 0 HB2 GLU A 5 111.870 -3.637 21.423 1.00 0.00 H new ATOM 0 HB3 GLU A 5 110.889 -2.798 20.238 1.00 0.00 H new ATOM 0 HG2 GLU A 5 110.131 -2.145 22.483 1.00 0.00 H new ATOM 0 HG3 GLU A 5 108.870 -3.095 21.723 1.00 0.00 H new ATOM 74 N ASP A 6 109.100 -5.217 18.418 1.00 0.00 N ATOM 75 CA ASP A 6 108.832 -5.106 16.958 1.00 0.00 C ATOM 76 C ASP A 6 108.712 -3.631 16.562 1.00 0.00 C ATOM 77 O ASP A 6 108.316 -2.806 17.362 1.00 0.00 O ATOM 78 CB ASP A 6 107.525 -5.830 16.629 1.00 0.00 C ATOM 79 CG ASP A 6 106.493 -5.550 17.722 1.00 0.00 C ATOM 80 OD1 ASP A 6 105.888 -4.491 17.680 1.00 0.00 O ATOM 81 OD2 ASP A 6 106.324 -6.398 18.582 1.00 0.00 O ATOM 0 H ASP A 6 108.364 -5.671 18.960 1.00 0.00 H new ATOM 0 HA ASP A 6 109.654 -5.559 16.404 1.00 0.00 H new ATOM 0 HB2 ASP A 6 107.146 -5.496 15.663 1.00 0.00 H new ATOM 0 HB3 ASP A 6 107.702 -6.902 16.548 1.00 0.00 H new ATOM 86 N PRO A 7 109.057 -3.347 15.331 1.00 0.00 N ATOM 87 CA PRO A 7 109.001 -1.981 14.781 1.00 0.00 C ATOM 88 C PRO A 7 107.561 -1.608 14.424 1.00 0.00 C ATOM 89 O PRO A 7 106.865 -2.345 13.753 1.00 0.00 O ATOM 90 CB PRO A 7 109.874 -2.063 13.525 1.00 0.00 C ATOM 91 CG PRO A 7 109.911 -3.555 13.117 1.00 0.00 C ATOM 92 CD PRO A 7 109.537 -4.365 14.372 1.00 0.00 C ATOM 0 HA PRO A 7 109.345 -1.221 15.483 1.00 0.00 H new ATOM 0 HB2 PRO A 7 109.460 -1.451 12.723 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.878 -1.690 13.725 1.00 0.00 H new ATOM 0 HG2 PRO A 7 109.210 -3.752 12.306 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.901 -3.834 12.757 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.765 -5.103 14.154 1.00 0.00 H new ATOM 0 HD3 PRO A 7 110.396 -4.909 14.765 1.00 0.00 H new ATOM 100 N LYS A 8 107.108 -0.469 14.871 1.00 0.00 N ATOM 101 CA LYS A 8 105.716 -0.049 14.562 1.00 0.00 C ATOM 102 C LYS A 8 105.728 0.984 13.433 1.00 0.00 C ATOM 103 O LYS A 8 104.699 1.498 13.042 1.00 0.00 O ATOM 104 CB LYS A 8 105.085 0.570 15.810 1.00 0.00 C ATOM 105 CG LYS A 8 103.632 0.938 15.514 1.00 0.00 C ATOM 106 CD LYS A 8 103.480 2.460 15.512 1.00 0.00 C ATOM 107 CE LYS A 8 102.048 2.829 15.902 1.00 0.00 C ATOM 108 NZ LYS A 8 101.937 4.307 16.044 1.00 0.00 N ATOM 0 H LYS A 8 107.644 0.188 15.437 1.00 0.00 H new ATOM 0 HA LYS A 8 105.136 -0.918 14.250 1.00 0.00 H new ATOM 0 HB2 LYS A 8 105.132 -0.133 16.642 1.00 0.00 H new ATOM 0 HB3 LYS A 8 105.642 1.457 16.111 1.00 0.00 H new ATOM 0 HG2 LYS A 8 103.332 0.531 14.548 1.00 0.00 H new ATOM 0 HG3 LYS A 8 102.974 0.497 16.263 1.00 0.00 H new ATOM 0 HD2 LYS A 8 104.186 2.908 16.212 1.00 0.00 H new ATOM 0 HD3 LYS A 8 103.714 2.858 14.525 1.00 0.00 H new ATOM 0 HE2 LYS A 8 101.350 2.472 15.144 1.00 0.00 H new ATOM 0 HE3 LYS A 8 101.778 2.342 16.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 100.963 4.558 16.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 102.592 4.635 16.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 102.178 4.762 15.140 1.00 0.00 H new ATOM 122 N ASP A 9 106.881 1.293 12.904 1.00 0.00 N ATOM 123 CA ASP A 9 106.943 2.295 11.801 1.00 0.00 C ATOM 124 C ASP A 9 108.379 2.409 11.283 1.00 0.00 C ATOM 125 O ASP A 9 109.283 1.769 11.782 1.00 0.00 O ATOM 126 CB ASP A 9 106.483 3.657 12.326 1.00 0.00 C ATOM 127 CG ASP A 9 107.381 4.085 13.489 1.00 0.00 C ATOM 128 OD1 ASP A 9 107.661 3.251 14.334 1.00 0.00 O ATOM 129 OD2 ASP A 9 107.770 5.241 13.516 1.00 0.00 O ATOM 0 H ASP A 9 107.778 0.898 13.186 1.00 0.00 H new ATOM 0 HA ASP A 9 106.292 1.975 10.988 1.00 0.00 H new ATOM 0 HB2 ASP A 9 106.524 4.399 11.529 1.00 0.00 H new ATOM 0 HB3 ASP A 9 105.445 3.600 12.655 1.00 0.00 H new ATOM 134 N PHE A 10 108.594 3.222 10.283 1.00 0.00 N ATOM 135 CA PHE A 10 109.971 3.381 9.733 1.00 0.00 C ATOM 136 C PHE A 10 110.868 4.030 10.791 1.00 0.00 C ATOM 137 O PHE A 10 110.381 4.646 11.717 1.00 0.00 O ATOM 138 CB PHE A 10 109.928 4.276 8.492 1.00 0.00 C ATOM 139 CG PHE A 10 108.801 3.845 7.585 1.00 0.00 C ATOM 140 CD1 PHE A 10 108.976 2.759 6.718 1.00 0.00 C ATOM 141 CD2 PHE A 10 107.585 4.538 7.603 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.935 2.367 5.870 1.00 0.00 C ATOM 143 CE2 PHE A 10 106.543 4.143 6.757 1.00 0.00 C ATOM 144 CZ PHE A 10 106.717 3.057 5.889 1.00 0.00 C ATOM 0 H PHE A 10 107.876 3.782 9.824 1.00 0.00 H new ATOM 0 HA PHE A 10 110.368 2.402 9.463 1.00 0.00 H new ATOM 0 HB2 PHE A 10 109.791 5.316 8.788 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.877 4.219 7.959 1.00 0.00 H new ATOM 0 HD1 PHE A 10 109.914 2.224 6.704 1.00 0.00 H new ATOM 0 HD2 PHE A 10 107.451 5.377 8.270 1.00 0.00 H new ATOM 0 HE1 PHE A 10 108.071 1.531 5.200 1.00 0.00 H new ATOM 0 HE2 PHE A 10 105.604 4.676 6.773 1.00 0.00 H new ATOM 0 HZ PHE A 10 105.913 2.753 5.236 1.00 0.00 H new ATOM 154 N PRO A 11 112.155 3.876 10.615 1.00 0.00 N ATOM 155 CA PRO A 11 113.155 4.442 11.538 1.00 0.00 C ATOM 156 C PRO A 11 113.325 5.943 11.282 1.00 0.00 C ATOM 157 O PRO A 11 113.029 6.438 10.213 1.00 0.00 O ATOM 158 CB PRO A 11 114.435 3.676 11.193 1.00 0.00 C ATOM 159 CG PRO A 11 114.249 3.144 9.752 1.00 0.00 C ATOM 160 CD PRO A 11 112.733 3.122 9.484 1.00 0.00 C ATOM 0 HA PRO A 11 112.878 4.344 12.588 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.307 4.327 11.257 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.597 2.856 11.892 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.760 3.785 9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.675 2.146 9.649 1.00 0.00 H new ATOM 0 HD2 PRO A 11 112.490 3.588 8.529 1.00 0.00 H new ATOM 0 HD3 PRO A 11 112.350 2.102 9.448 1.00 0.00 H new ATOM 168 N SER A 12 113.796 6.670 12.257 1.00 0.00 N ATOM 169 CA SER A 12 113.980 8.138 12.075 1.00 0.00 C ATOM 170 C SER A 12 114.983 8.402 10.952 1.00 0.00 C ATOM 171 O SER A 12 114.805 9.292 10.143 1.00 0.00 O ATOM 172 CB SER A 12 114.504 8.750 13.375 1.00 0.00 C ATOM 173 OG SER A 12 115.719 8.107 13.738 1.00 0.00 O ATOM 0 H SER A 12 114.062 6.311 13.174 1.00 0.00 H new ATOM 0 HA SER A 12 113.022 8.589 11.815 1.00 0.00 H new ATOM 0 HB2 SER A 12 114.669 9.820 13.247 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.766 8.634 14.169 1.00 0.00 H new ATOM 0 HG SER A 12 116.060 8.497 14.570 1.00 0.00 H new ATOM 179 N GLU A 13 116.038 7.641 10.898 1.00 0.00 N ATOM 180 CA GLU A 13 117.055 7.849 9.834 1.00 0.00 C ATOM 181 C GLU A 13 116.396 7.724 8.459 1.00 0.00 C ATOM 182 O GLU A 13 116.858 8.289 7.488 1.00 0.00 O ATOM 183 CB GLU A 13 118.150 6.792 9.977 1.00 0.00 C ATOM 184 CG GLU A 13 117.528 5.398 9.888 1.00 0.00 C ATOM 185 CD GLU A 13 118.466 4.380 10.541 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.521 4.785 11.000 1.00 0.00 O ATOM 187 OE2 GLU A 13 118.112 3.214 10.570 1.00 0.00 O ATOM 0 H GLU A 13 116.240 6.881 11.548 1.00 0.00 H new ATOM 0 HA GLU A 13 117.489 8.844 9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 13 118.897 6.919 9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 13 118.664 6.912 10.931 1.00 0.00 H new ATOM 0 HG2 GLU A 13 116.559 5.388 10.386 1.00 0.00 H new ATOM 0 HG3 GLU A 13 117.353 5.132 8.846 1.00 0.00 H new ATOM 194 N LEU A 14 115.322 6.990 8.367 1.00 0.00 N ATOM 195 CA LEU A 14 114.640 6.836 7.051 1.00 0.00 C ATOM 196 C LEU A 14 113.384 7.708 7.020 1.00 0.00 C ATOM 197 O LEU A 14 112.774 7.896 5.986 1.00 0.00 O ATOM 198 CB LEU A 14 114.252 5.372 6.843 1.00 0.00 C ATOM 199 CG LEU A 14 114.430 5.006 5.370 1.00 0.00 C ATOM 200 CD1 LEU A 14 115.910 5.102 4.997 1.00 0.00 C ATOM 201 CD2 LEU A 14 113.936 3.576 5.134 1.00 0.00 C ATOM 0 H LEU A 14 114.888 6.491 9.144 1.00 0.00 H new ATOM 0 HA LEU A 14 115.316 7.147 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 14 114.871 4.728 7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 14 113.218 5.211 7.147 1.00 0.00 H new ATOM 0 HG LEU A 14 113.853 5.695 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 14 116.038 4.841 3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 14 116.262 6.120 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 14 116.486 4.413 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 14 114.063 3.316 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.511 2.886 5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 14 112.881 3.507 5.400 1.00 0.00 H new ATOM 213 N LEU A 15 112.993 8.244 8.143 1.00 0.00 N ATOM 214 CA LEU A 15 111.778 9.105 8.173 1.00 0.00 C ATOM 215 C LEU A 15 112.091 10.451 7.513 1.00 0.00 C ATOM 216 O LEU A 15 111.232 11.300 7.377 1.00 0.00 O ATOM 217 CB LEU A 15 111.352 9.338 9.625 1.00 0.00 C ATOM 218 CG LEU A 15 110.657 8.084 10.161 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.760 8.057 11.687 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.184 8.103 9.751 1.00 0.00 C ATOM 0 H LEU A 15 113.462 8.123 9.041 1.00 0.00 H new ATOM 0 HA LEU A 15 110.971 8.612 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.223 9.574 10.237 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.679 10.193 9.685 1.00 0.00 H new ATOM 0 HG LEU A 15 111.138 7.197 9.748 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.265 7.164 12.069 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.810 8.044 11.981 1.00 0.00 H new ATOM 0 HD13 LEU A 15 110.279 8.944 12.100 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.689 7.210 10.132 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.703 8.989 10.164 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.109 8.123 8.664 1.00 0.00 H new ATOM 232 N SER A 16 113.314 10.654 7.102 1.00 0.00 N ATOM 233 CA SER A 16 113.678 11.945 6.451 1.00 0.00 C ATOM 234 C SER A 16 112.837 12.138 5.189 1.00 0.00 C ATOM 235 O SER A 16 112.736 13.228 4.659 1.00 0.00 O ATOM 236 CB SER A 16 115.160 11.927 6.077 1.00 0.00 C ATOM 237 OG SER A 16 115.882 12.759 6.975 1.00 0.00 O ATOM 0 H SER A 16 114.076 9.982 7.189 1.00 0.00 H new ATOM 0 HA SER A 16 113.487 12.765 7.143 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.545 10.908 6.118 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.293 12.277 5.053 1.00 0.00 H new ATOM 0 HG SER A 16 116.833 12.748 6.738 1.00 0.00 H new ATOM 243 N PHE A 17 112.231 11.091 4.699 1.00 0.00 N ATOM 244 CA PHE A 17 111.399 11.220 3.470 1.00 0.00 C ATOM 245 C PHE A 17 110.309 10.147 3.467 1.00 0.00 C ATOM 246 O PHE A 17 110.489 9.065 2.943 1.00 0.00 O ATOM 247 CB PHE A 17 112.276 11.054 2.222 1.00 0.00 C ATOM 248 CG PHE A 17 113.479 10.195 2.537 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.350 9.079 3.373 1.00 0.00 C ATOM 250 CD2 PHE A 17 114.725 10.513 1.985 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.465 8.285 3.657 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.841 9.719 2.268 1.00 0.00 C ATOM 253 CZ PHE A 17 115.711 8.604 3.105 1.00 0.00 C ATOM 0 H PHE A 17 112.276 10.153 5.097 1.00 0.00 H new ATOM 0 HA PHE A 17 110.939 12.208 3.459 1.00 0.00 H new ATOM 0 HB2 PHE A 17 111.696 10.599 1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 17 112.602 12.031 1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.389 8.832 3.799 1.00 0.00 H new ATOM 0 HD2 PHE A 17 114.825 11.373 1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.365 7.425 4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.802 9.966 1.841 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.572 7.990 3.325 1.00 0.00 H new ATOM 263 N LEU A 18 109.175 10.438 4.042 1.00 0.00 N ATOM 264 CA LEU A 18 108.073 9.437 4.066 1.00 0.00 C ATOM 265 C LEU A 18 106.776 10.109 3.611 1.00 0.00 C ATOM 266 O LEU A 18 106.792 11.146 2.978 1.00 0.00 O ATOM 267 CB LEU A 18 107.897 8.902 5.491 1.00 0.00 C ATOM 268 CG LEU A 18 108.229 7.407 5.545 1.00 0.00 C ATOM 269 CD1 LEU A 18 107.575 6.677 4.368 1.00 0.00 C ATOM 270 CD2 LEU A 18 109.746 7.223 5.481 1.00 0.00 C ATOM 0 H LEU A 18 108.964 11.326 4.496 1.00 0.00 H new ATOM 0 HA LEU A 18 108.314 8.610 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 18 108.545 9.450 6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 18 106.872 9.066 5.824 1.00 0.00 H new ATOM 0 HG LEU A 18 107.846 6.990 6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 18 107.818 5.616 4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 18 106.494 6.804 4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 18 107.947 7.091 3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 18 109.986 6.160 5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 18 110.125 7.647 4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 18 110.210 7.730 6.327 1.00 0.00 H new ATOM 282 N SER A 19 105.651 9.529 3.930 1.00 0.00 N ATOM 283 CA SER A 19 104.357 10.139 3.517 1.00 0.00 C ATOM 284 C SER A 19 103.576 10.567 4.763 1.00 0.00 C ATOM 285 O SER A 19 102.844 11.536 4.743 1.00 0.00 O ATOM 286 CB SER A 19 103.540 9.115 2.728 1.00 0.00 C ATOM 287 OG SER A 19 102.886 8.235 3.634 1.00 0.00 O ATOM 0 H SER A 19 105.573 8.660 4.458 1.00 0.00 H new ATOM 0 HA SER A 19 104.548 11.010 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 19 102.806 9.623 2.103 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.191 8.550 2.061 1.00 0.00 H new ATOM 0 HG SER A 19 102.360 7.579 3.131 1.00 0.00 H new ATOM 293 N HIS A 20 103.727 9.849 5.845 1.00 0.00 N ATOM 294 CA HIS A 20 102.994 10.212 7.092 1.00 0.00 C ATOM 295 C HIS A 20 101.555 10.594 6.745 1.00 0.00 C ATOM 296 O HIS A 20 101.116 11.697 7.003 1.00 0.00 O ATOM 297 CB HIS A 20 103.685 11.397 7.770 1.00 0.00 C ATOM 298 CG HIS A 20 105.177 11.238 7.668 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.163 12.091 7.239 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 105.822 10.068 8.038 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 107.402 11.465 7.341 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 107.139 10.249 7.827 1.00 0.00 N flip ATOM 0 H HIS A 20 104.326 9.027 5.918 1.00 0.00 H new ATOM 0 HA HIS A 20 102.992 9.358 7.770 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.376 12.330 7.298 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.386 11.455 8.817 1.00 0.00 H new ATOM 0 HD1 HIS A 20 106.011 13.040 6.897 1.00 0.00 H new ATOM 0 HD2 HIS A 20 105.354 9.175 8.425 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.368 11.874 7.083 1.00 0.00 H new ATOM 310 N ALA A 21 100.816 9.692 6.159 1.00 0.00 N ATOM 311 CA ALA A 21 99.408 10.008 5.795 1.00 0.00 C ATOM 312 C ALA A 21 98.813 8.845 5.003 1.00 0.00 C ATOM 313 O ALA A 21 99.277 8.505 3.933 1.00 0.00 O ATOM 314 CB ALA A 21 99.375 11.278 4.941 1.00 0.00 C ATOM 0 H ALA A 21 101.127 8.751 5.917 1.00 0.00 H new ATOM 0 HA ALA A 21 98.824 10.165 6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.344 11.510 4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.799 12.108 5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.958 11.122 4.034 1.00 0.00 H new ATOM 320 N VAL A 22 97.786 8.232 5.522 1.00 0.00 N ATOM 321 CA VAL A 22 97.157 7.093 4.802 1.00 0.00 C ATOM 322 C VAL A 22 95.968 7.606 3.988 1.00 0.00 C ATOM 323 O VAL A 22 95.572 7.013 3.005 1.00 0.00 O ATOM 324 CB VAL A 22 96.672 6.056 5.815 1.00 0.00 C ATOM 325 CG1 VAL A 22 96.092 4.854 5.071 1.00 0.00 C ATOM 326 CG2 VAL A 22 97.849 5.601 6.681 1.00 0.00 C ATOM 0 H VAL A 22 97.355 8.472 6.415 1.00 0.00 H new ATOM 0 HA VAL A 22 97.886 6.634 4.135 1.00 0.00 H new ATOM 0 HB VAL A 22 95.903 6.497 6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 22 95.745 4.113 5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 22 95.255 5.178 4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 22 96.861 4.412 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 22 97.504 4.861 7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 22 98.617 5.158 6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 22 98.265 6.459 7.210 1.00 0.00 H new ATOM 336 N PHE A 23 95.397 8.707 4.392 1.00 0.00 N ATOM 337 CA PHE A 23 94.235 9.263 3.644 1.00 0.00 C ATOM 338 C PHE A 23 94.660 10.548 2.931 1.00 0.00 C ATOM 339 O PHE A 23 93.853 11.414 2.658 1.00 0.00 O ATOM 340 CB PHE A 23 93.101 9.576 4.623 1.00 0.00 C ATOM 341 CG PHE A 23 92.362 8.303 4.959 1.00 0.00 C ATOM 342 CD1 PHE A 23 92.978 7.326 5.750 1.00 0.00 C ATOM 343 CD2 PHE A 23 91.064 8.100 4.479 1.00 0.00 C ATOM 344 CE1 PHE A 23 92.293 6.145 6.063 1.00 0.00 C ATOM 345 CE2 PHE A 23 90.379 6.919 4.790 1.00 0.00 C ATOM 346 CZ PHE A 23 90.993 5.941 5.583 1.00 0.00 C ATOM 0 H PHE A 23 95.685 9.246 5.209 1.00 0.00 H new ATOM 0 HA PHE A 23 93.891 8.534 2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 23 93.503 10.026 5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 23 92.416 10.302 4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 23 93.981 7.483 6.119 1.00 0.00 H new ATOM 0 HD2 PHE A 23 90.590 8.854 3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 23 92.767 5.392 6.674 1.00 0.00 H new ATOM 0 HE2 PHE A 23 89.377 6.762 4.418 1.00 0.00 H new ATOM 0 HZ PHE A 23 90.465 5.031 5.824 1.00 0.00 H new ATOM 356 N SER A 24 95.923 10.676 2.628 1.00 0.00 N ATOM 357 CA SER A 24 96.403 11.903 1.933 1.00 0.00 C ATOM 358 C SER A 24 95.429 12.268 0.812 1.00 0.00 C ATOM 359 O SER A 24 94.639 11.454 0.373 1.00 0.00 O ATOM 360 CB SER A 24 97.789 11.641 1.341 1.00 0.00 C ATOM 361 OG SER A 24 98.158 12.734 0.509 1.00 0.00 O ATOM 0 H SER A 24 96.643 9.983 2.832 1.00 0.00 H new ATOM 0 HA SER A 24 96.461 12.727 2.645 1.00 0.00 H new ATOM 0 HB2 SER A 24 98.520 11.514 2.139 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.782 10.716 0.764 1.00 0.00 H new ATOM 0 HG SER A 24 99.046 12.571 0.129 1.00 0.00 H new ATOM 367 N ASN A 25 95.477 13.485 0.343 1.00 0.00 N ATOM 368 CA ASN A 25 94.551 13.898 -0.750 1.00 0.00 C ATOM 369 C ASN A 25 95.278 13.820 -2.095 1.00 0.00 C ATOM 370 O ASN A 25 94.708 14.092 -3.134 1.00 0.00 O ATOM 371 CB ASN A 25 94.081 15.334 -0.504 1.00 0.00 C ATOM 372 CG ASN A 25 92.592 15.449 -0.838 1.00 0.00 C ATOM 373 OD1 ASN A 25 91.761 15.491 0.048 1.00 0.00 O ATOM 374 ND2 ASN A 25 92.218 15.502 -2.087 1.00 0.00 N ATOM 0 H ASN A 25 96.116 14.210 0.669 1.00 0.00 H new ATOM 0 HA ASN A 25 93.689 13.231 -0.767 1.00 0.00 H new ATOM 0 HB2 ASN A 25 94.254 15.611 0.536 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.657 16.026 -1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 25 91.228 15.579 -2.320 1.00 0.00 H new ATOM 0 HD22 ASN A 25 92.916 15.467 -2.830 1.00 0.00 H new ATOM 381 N ARG A 26 96.530 13.452 -2.088 1.00 0.00 N ATOM 382 CA ARG A 26 97.286 13.358 -3.368 1.00 0.00 C ATOM 383 C ARG A 26 97.371 11.894 -3.804 1.00 0.00 C ATOM 384 O ARG A 26 97.009 10.997 -3.069 1.00 0.00 O ATOM 385 CB ARG A 26 98.698 13.915 -3.171 1.00 0.00 C ATOM 386 CG ARG A 26 99.086 14.760 -4.387 1.00 0.00 C ATOM 387 CD ARG A 26 100.311 15.611 -4.047 1.00 0.00 C ATOM 388 NE ARG A 26 100.169 16.161 -2.670 1.00 0.00 N ATOM 389 CZ ARG A 26 99.706 17.370 -2.493 1.00 0.00 C ATOM 390 NH1 ARG A 26 98.547 17.704 -2.989 1.00 0.00 N ATOM 391 NH2 ARG A 26 100.405 18.243 -1.822 1.00 0.00 N ATOM 0 H ARG A 26 97.062 13.212 -1.251 1.00 0.00 H new ATOM 0 HA ARG A 26 96.772 13.937 -4.136 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.739 14.521 -2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 26 99.408 13.098 -3.040 1.00 0.00 H new ATOM 0 HG2 ARG A 26 99.303 14.114 -5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 26 98.254 15.401 -4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 26 101.216 15.008 -4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 26 100.413 16.424 -4.766 1.00 0.00 H new ATOM 0 HE ARG A 26 100.433 15.593 -1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 26 98.002 17.021 -3.515 1.00 0.00 H new ATOM 0 HH12 ARG A 26 98.186 18.648 -2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 26 101.312 17.982 -1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 26 100.044 19.187 -1.683 1.00 0.00 H new ATOM 405 N THR A 27 97.846 11.644 -4.992 1.00 0.00 N ATOM 406 CA THR A 27 97.953 10.238 -5.471 1.00 0.00 C ATOM 407 C THR A 27 99.410 9.927 -5.822 1.00 0.00 C ATOM 408 O THR A 27 99.869 10.208 -6.910 1.00 0.00 O ATOM 409 CB THR A 27 97.080 10.055 -6.716 1.00 0.00 C ATOM 410 OG1 THR A 27 97.568 10.887 -7.759 1.00 0.00 O ATOM 411 CG2 THR A 27 95.636 10.439 -6.388 1.00 0.00 C ATOM 0 H THR A 27 98.165 12.353 -5.652 1.00 0.00 H new ATOM 0 HA THR A 27 97.615 9.561 -4.686 1.00 0.00 H new ATOM 0 HB THR A 27 97.113 9.013 -7.035 1.00 0.00 H new ATOM 0 HG1 THR A 27 98.537 10.997 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.015 10.309 -7.274 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.263 9.801 -5.586 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.600 11.481 -6.070 1.00 0.00 H new ATOM 419 N LEU A 28 100.140 9.350 -4.907 1.00 0.00 N ATOM 420 CA LEU A 28 101.567 9.024 -5.189 1.00 0.00 C ATOM 421 C LEU A 28 101.652 7.686 -5.928 1.00 0.00 C ATOM 422 O LEU A 28 100.711 6.918 -5.953 1.00 0.00 O ATOM 423 CB LEU A 28 102.339 8.929 -3.872 1.00 0.00 C ATOM 424 CG LEU A 28 101.811 9.977 -2.892 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.078 9.277 -1.746 1.00 0.00 C ATOM 426 CD2 LEU A 28 102.982 10.784 -2.329 1.00 0.00 C ATOM 0 H LEU A 28 99.811 9.090 -3.977 1.00 0.00 H new ATOM 0 HA LEU A 28 102.001 9.808 -5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 28 102.231 7.931 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 28 103.403 9.086 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 28 101.124 10.646 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 28 100.701 10.023 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 28 100.244 8.700 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 28 101.766 8.609 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 28 102.606 11.531 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 28 103.669 10.115 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 28 103.507 11.281 -3.145 1.00 0.00 H new ATOM 438 N ALA A 29 102.776 7.404 -6.527 1.00 0.00 N ATOM 439 CA ALA A 29 102.931 6.118 -7.266 1.00 0.00 C ATOM 440 C ALA A 29 104.062 5.302 -6.629 1.00 0.00 C ATOM 441 O ALA A 29 104.439 4.255 -7.117 1.00 0.00 O ATOM 442 CB ALA A 29 103.279 6.414 -8.727 1.00 0.00 C ATOM 0 H ALA A 29 103.596 8.010 -6.537 1.00 0.00 H new ATOM 0 HA ALA A 29 102.000 5.552 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 29 103.393 5.476 -9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 29 102.480 7.001 -9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 29 104.212 6.976 -8.772 1.00 0.00 H new ATOM 448 N CYS A 30 104.609 5.770 -5.541 1.00 0.00 N ATOM 449 CA CYS A 30 105.709 5.016 -4.879 1.00 0.00 C ATOM 450 C CYS A 30 105.304 4.700 -3.441 1.00 0.00 C ATOM 451 O CYS A 30 104.671 5.496 -2.777 1.00 0.00 O ATOM 452 CB CYS A 30 106.983 5.862 -4.877 1.00 0.00 C ATOM 453 SG CYS A 30 108.240 5.052 -3.856 1.00 0.00 S ATOM 0 H CYS A 30 104.342 6.641 -5.083 1.00 0.00 H new ATOM 0 HA CYS A 30 105.895 4.089 -5.421 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.351 5.988 -5.895 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.771 6.858 -4.490 1.00 0.00 H new ATOM 0 HG CYS A 30 108.065 3.764 -3.892 1.00 0.00 H new ATOM 459 N PHE A 31 105.652 3.541 -2.954 1.00 0.00 N ATOM 460 CA PHE A 31 105.271 3.182 -1.561 1.00 0.00 C ATOM 461 C PHE A 31 106.357 2.305 -0.931 1.00 0.00 C ATOM 462 O PHE A 31 107.101 1.625 -1.614 1.00 0.00 O ATOM 463 CB PHE A 31 103.944 2.423 -1.576 1.00 0.00 C ATOM 464 CG PHE A 31 102.969 3.126 -2.493 1.00 0.00 C ATOM 465 CD1 PHE A 31 103.112 3.027 -3.884 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.919 3.877 -1.950 1.00 0.00 C ATOM 467 CE1 PHE A 31 102.209 3.680 -4.730 1.00 0.00 C ATOM 468 CE2 PHE A 31 101.014 4.526 -2.795 1.00 0.00 C ATOM 469 CZ PHE A 31 101.157 4.431 -4.184 1.00 0.00 C ATOM 0 H PHE A 31 106.182 2.830 -3.459 1.00 0.00 H new ATOM 0 HA PHE A 31 105.164 4.093 -0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.103 1.399 -1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.534 2.366 -0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.920 2.446 -4.303 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.808 3.955 -0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 31 102.322 3.606 -5.802 1.00 0.00 H new ATOM 0 HE2 PHE A 31 100.203 5.102 -2.375 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.458 4.935 -4.835 1.00 0.00 H new ATOM 479 N ALA A 32 106.449 2.320 0.373 1.00 0.00 N ATOM 480 CA ALA A 32 107.480 1.498 1.066 1.00 0.00 C ATOM 481 C ALA A 32 106.800 0.528 2.035 1.00 0.00 C ATOM 482 O ALA A 32 106.297 0.921 3.068 1.00 0.00 O ATOM 483 CB ALA A 32 108.417 2.419 1.852 1.00 0.00 C ATOM 0 H ALA A 32 105.850 2.870 0.989 1.00 0.00 H new ATOM 0 HA ALA A 32 108.049 0.934 0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.173 1.821 2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.904 3.113 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.842 2.980 2.589 1.00 0.00 H new ATOM 489 N ILE A 33 106.787 -0.737 1.715 1.00 0.00 N ATOM 490 CA ILE A 33 106.146 -1.726 2.627 1.00 0.00 C ATOM 491 C ILE A 33 107.185 -2.228 3.631 1.00 0.00 C ATOM 492 O ILE A 33 107.840 -3.228 3.414 1.00 0.00 O ATOM 493 CB ILE A 33 105.604 -2.904 1.811 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.328 -2.473 1.086 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.284 -4.075 2.744 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.044 -3.438 -0.067 1.00 0.00 C ATOM 0 H ILE A 33 107.191 -1.128 0.864 1.00 0.00 H new ATOM 0 HA ILE A 33 105.321 -1.253 3.160 1.00 0.00 H new ATOM 0 HB ILE A 33 106.354 -3.215 1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.488 -2.463 1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.439 -1.458 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 33 104.899 -4.911 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.190 -4.383 3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.535 -3.766 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.135 -3.130 -0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 33 104.880 -3.426 -0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 33 103.915 -4.446 0.326 1.00 0.00 H new ATOM 508 N TYR A 34 107.339 -1.542 4.729 1.00 0.00 N ATOM 509 CA TYR A 34 108.334 -1.981 5.747 1.00 0.00 C ATOM 510 C TYR A 34 107.698 -3.048 6.634 1.00 0.00 C ATOM 511 O TYR A 34 106.907 -2.751 7.507 1.00 0.00 O ATOM 512 CB TYR A 34 108.754 -0.784 6.604 1.00 0.00 C ATOM 513 CG TYR A 34 109.515 -1.275 7.814 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.386 -2.365 7.698 1.00 0.00 C ATOM 515 CD2 TYR A 34 109.347 -0.642 9.050 1.00 0.00 C ATOM 516 CE1 TYR A 34 111.089 -2.821 8.816 1.00 0.00 C ATOM 517 CE2 TYR A 34 110.049 -1.098 10.170 1.00 0.00 C ATOM 518 CZ TYR A 34 110.922 -2.188 10.054 1.00 0.00 C ATOM 519 OH TYR A 34 111.615 -2.638 11.160 1.00 0.00 O ATOM 0 H TYR A 34 106.819 -0.697 4.966 1.00 0.00 H new ATOM 0 HA TYR A 34 109.213 -2.391 5.250 1.00 0.00 H new ATOM 0 HB2 TYR A 34 109.376 -0.105 6.020 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.875 -0.221 6.917 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.515 -2.854 6.744 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.675 0.199 9.139 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.761 -3.662 8.725 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.918 -0.610 11.125 1.00 0.00 H new ATOM 0 HH TYR A 34 112.057 -1.882 11.599 1.00 0.00 H new ATOM 529 N THR A 35 108.026 -4.289 6.415 1.00 0.00 N ATOM 530 CA THR A 35 107.424 -5.369 7.245 1.00 0.00 C ATOM 531 C THR A 35 108.349 -6.588 7.241 1.00 0.00 C ATOM 532 O THR A 35 109.381 -6.595 6.600 1.00 0.00 O ATOM 533 CB THR A 35 106.051 -5.764 6.675 1.00 0.00 C ATOM 534 OG1 THR A 35 106.136 -7.048 6.079 1.00 0.00 O ATOM 535 CG2 THR A 35 105.596 -4.750 5.619 1.00 0.00 C ATOM 0 H THR A 35 108.682 -4.602 5.700 1.00 0.00 H new ATOM 0 HA THR A 35 107.297 -5.009 8.266 1.00 0.00 H new ATOM 0 HB THR A 35 105.327 -5.778 7.490 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.558 -6.972 5.198 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.623 -5.045 5.227 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.520 -3.762 6.073 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.321 -4.721 4.806 1.00 0.00 H new ATOM 543 N THR A 36 107.984 -7.622 7.948 1.00 0.00 N ATOM 544 CA THR A 36 108.840 -8.840 7.980 1.00 0.00 C ATOM 545 C THR A 36 109.206 -9.238 6.549 1.00 0.00 C ATOM 546 O THR A 36 108.461 -9.002 5.617 1.00 0.00 O ATOM 547 CB THR A 36 108.075 -9.987 8.648 1.00 0.00 C ATOM 548 OG1 THR A 36 106.909 -10.280 7.891 1.00 0.00 O ATOM 549 CG2 THR A 36 107.675 -9.580 10.068 1.00 0.00 C ATOM 0 H THR A 36 107.131 -7.676 8.504 1.00 0.00 H new ATOM 0 HA THR A 36 109.748 -8.632 8.546 1.00 0.00 H new ATOM 0 HB THR A 36 108.712 -10.870 8.693 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.506 -11.110 8.220 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.131 -10.397 10.541 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.570 -9.356 10.648 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.039 -8.696 10.027 1.00 0.00 H new ATOM 557 N LYS A 37 110.348 -9.841 6.366 1.00 0.00 N ATOM 558 CA LYS A 37 110.761 -10.254 5.000 1.00 0.00 C ATOM 559 C LYS A 37 109.756 -11.267 4.449 1.00 0.00 C ATOM 560 O LYS A 37 109.417 -11.248 3.283 1.00 0.00 O ATOM 561 CB LYS A 37 112.149 -10.891 5.071 1.00 0.00 C ATOM 562 CG LYS A 37 112.049 -12.273 5.721 1.00 0.00 C ATOM 563 CD LYS A 37 113.430 -12.932 5.736 1.00 0.00 C ATOM 564 CE LYS A 37 114.030 -12.830 7.140 1.00 0.00 C ATOM 565 NZ LYS A 37 114.992 -11.692 7.188 1.00 0.00 N ATOM 0 H LYS A 37 111.013 -10.065 7.106 1.00 0.00 H new ATOM 0 HA LYS A 37 110.790 -9.385 4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.571 -10.979 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 37 112.822 -10.256 5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.667 -12.181 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.344 -12.895 5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 37 113.349 -13.978 5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 37 114.085 -12.445 5.013 1.00 0.00 H new ATOM 0 HE2 LYS A 37 113.239 -12.683 7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 37 114.537 -13.760 7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 115.400 -11.622 8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.753 -11.851 6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 114.495 -10.808 6.959 1.00 0.00 H new ATOM 579 N GLU A 38 109.279 -12.155 5.278 1.00 0.00 N ATOM 580 CA GLU A 38 108.301 -13.169 4.805 1.00 0.00 C ATOM 581 C GLU A 38 107.117 -12.472 4.131 1.00 0.00 C ATOM 582 O GLU A 38 106.420 -13.055 3.323 1.00 0.00 O ATOM 583 CB GLU A 38 107.797 -13.987 5.996 1.00 0.00 C ATOM 584 CG GLU A 38 107.522 -15.424 5.549 1.00 0.00 C ATOM 585 CD GLU A 38 108.804 -16.249 5.664 1.00 0.00 C ATOM 586 OE1 GLU A 38 109.864 -15.652 5.748 1.00 0.00 O ATOM 587 OE2 GLU A 38 108.704 -17.465 5.665 1.00 0.00 O ATOM 0 H GLU A 38 109.527 -12.220 6.265 1.00 0.00 H new ATOM 0 HA GLU A 38 108.788 -13.829 4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.538 -13.979 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 38 106.888 -13.540 6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 38 106.738 -15.864 6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 38 107.162 -15.433 4.520 1.00 0.00 H new ATOM 594 N LYS A 39 106.881 -11.231 4.456 1.00 0.00 N ATOM 595 CA LYS A 39 105.741 -10.500 3.835 1.00 0.00 C ATOM 596 C LYS A 39 106.207 -9.841 2.538 1.00 0.00 C ATOM 597 O LYS A 39 105.720 -10.145 1.469 1.00 0.00 O ATOM 598 CB LYS A 39 105.249 -9.431 4.811 1.00 0.00 C ATOM 599 CG LYS A 39 104.367 -8.417 4.076 1.00 0.00 C ATOM 600 CD LYS A 39 103.084 -8.180 4.876 1.00 0.00 C ATOM 601 CE LYS A 39 103.438 -7.820 6.321 1.00 0.00 C ATOM 602 NZ LYS A 39 102.253 -8.051 7.194 1.00 0.00 N ATOM 0 H LYS A 39 107.429 -10.691 5.126 1.00 0.00 H new ATOM 0 HA LYS A 39 104.930 -11.193 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 39 104.686 -9.897 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 39 106.099 -8.923 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 39 104.905 -7.478 3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 39 104.124 -8.786 3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 39 102.504 -7.376 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 39 102.461 -9.074 4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 39 104.278 -8.425 6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 39 103.750 -6.777 6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 102.420 -7.622 8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 101.412 -7.620 6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 102.099 -9.073 7.306 1.00 0.00 H new ATOM 616 N ALA A 40 107.147 -8.940 2.622 1.00 0.00 N ATOM 617 CA ALA A 40 107.640 -8.263 1.389 1.00 0.00 C ATOM 618 C ALA A 40 108.001 -9.310 0.331 1.00 0.00 C ATOM 619 O ALA A 40 108.080 -9.013 -0.845 1.00 0.00 O ATOM 620 CB ALA A 40 108.880 -7.431 1.725 1.00 0.00 C ATOM 0 H ALA A 40 107.594 -8.644 3.489 1.00 0.00 H new ATOM 0 HA ALA A 40 106.857 -7.612 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.241 -6.936 0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 40 108.623 -6.681 2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.660 -8.083 2.118 1.00 0.00 H new ATOM 626 N ALA A 41 108.223 -10.532 0.734 1.00 0.00 N ATOM 627 CA ALA A 41 108.579 -11.589 -0.254 1.00 0.00 C ATOM 628 C ALA A 41 107.360 -11.915 -1.116 1.00 0.00 C ATOM 629 O ALA A 41 107.422 -11.901 -2.330 1.00 0.00 O ATOM 630 CB ALA A 41 109.031 -12.850 0.488 1.00 0.00 C ATOM 0 H ALA A 41 108.173 -10.843 1.704 1.00 0.00 H new ATOM 0 HA ALA A 41 109.388 -11.232 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.292 -13.624 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 41 109.902 -12.619 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.222 -13.207 1.126 1.00 0.00 H new ATOM 636 N LEU A 42 106.253 -12.209 -0.498 1.00 0.00 N ATOM 637 CA LEU A 42 105.027 -12.537 -1.278 1.00 0.00 C ATOM 638 C LEU A 42 104.503 -11.269 -1.962 1.00 0.00 C ATOM 639 O LEU A 42 103.869 -11.327 -2.997 1.00 0.00 O ATOM 640 CB LEU A 42 103.963 -13.116 -0.335 1.00 0.00 C ATOM 641 CG LEU A 42 103.226 -11.986 0.386 1.00 0.00 C ATOM 642 CD1 LEU A 42 101.968 -11.625 -0.402 1.00 0.00 C ATOM 643 CD2 LEU A 42 102.834 -12.450 1.791 1.00 0.00 C ATOM 0 H LEU A 42 106.142 -12.237 0.516 1.00 0.00 H new ATOM 0 HA LEU A 42 105.261 -13.278 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 42 103.254 -13.719 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 42 104.433 -13.777 0.394 1.00 0.00 H new ATOM 0 HG LEU A 42 103.874 -11.113 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 42 101.438 -10.820 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 42 102.247 -11.299 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 42 101.320 -12.498 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 42 102.309 -11.646 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.183 -13.321 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 42 103.731 -12.714 2.351 1.00 0.00 H new ATOM 655 N LEU A 43 104.770 -10.124 -1.395 1.00 0.00 N ATOM 656 CA LEU A 43 104.297 -8.853 -2.013 1.00 0.00 C ATOM 657 C LEU A 43 105.242 -8.464 -3.147 1.00 0.00 C ATOM 658 O LEU A 43 104.882 -7.738 -4.051 1.00 0.00 O ATOM 659 CB LEU A 43 104.295 -7.742 -0.961 1.00 0.00 C ATOM 660 CG LEU A 43 103.409 -8.151 0.214 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.271 -6.977 1.185 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.027 -8.541 -0.311 1.00 0.00 C ATOM 0 H LEU A 43 105.297 -10.014 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 43 103.288 -8.991 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.311 -7.553 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 43 103.930 -6.813 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 43 103.858 -8.998 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 43 102.639 -7.270 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 43 104.256 -6.694 1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.820 -6.129 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.390 -8.834 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.581 -7.691 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.124 -9.376 -1.004 1.00 0.00 H new ATOM 674 N TYR A 44 106.455 -8.942 -3.104 1.00 0.00 N ATOM 675 CA TYR A 44 107.429 -8.601 -4.174 1.00 0.00 C ATOM 676 C TYR A 44 106.932 -9.164 -5.509 1.00 0.00 C ATOM 677 O TYR A 44 106.732 -8.442 -6.466 1.00 0.00 O ATOM 678 CB TYR A 44 108.792 -9.210 -3.825 1.00 0.00 C ATOM 679 CG TYR A 44 109.866 -8.682 -4.755 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.861 -9.041 -6.107 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.884 -7.858 -4.256 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.868 -8.575 -6.960 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.896 -7.397 -5.107 1.00 0.00 C ATOM 684 CZ TYR A 44 111.887 -7.755 -6.460 1.00 0.00 C ATOM 685 OH TYR A 44 112.886 -7.304 -7.299 1.00 0.00 O ATOM 0 H TYR A 44 106.813 -9.555 -2.372 1.00 0.00 H new ATOM 0 HA TYR A 44 107.528 -7.519 -4.257 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.049 -8.973 -2.793 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.741 -10.296 -3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 44 109.079 -9.678 -6.493 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.888 -7.578 -3.213 1.00 0.00 H new ATOM 0 HE1 TYR A 44 110.859 -8.848 -8.005 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.682 -6.766 -4.720 1.00 0.00 H new ATOM 0 HH TYR A 44 113.155 -6.401 -7.031 1.00 0.00 H new ATOM 695 N LYS A 45 106.728 -10.451 -5.578 1.00 0.00 N ATOM 696 CA LYS A 45 106.246 -11.066 -6.846 1.00 0.00 C ATOM 697 C LYS A 45 104.802 -10.638 -7.122 1.00 0.00 C ATOM 698 O LYS A 45 104.363 -10.603 -8.254 1.00 0.00 O ATOM 699 CB LYS A 45 106.306 -12.590 -6.726 1.00 0.00 C ATOM 700 CG LYS A 45 107.688 -13.085 -7.157 1.00 0.00 C ATOM 701 CD LYS A 45 107.763 -14.604 -6.982 1.00 0.00 C ATOM 702 CE LYS A 45 108.840 -15.171 -7.907 1.00 0.00 C ATOM 703 NZ LYS A 45 108.449 -14.939 -9.327 1.00 0.00 N ATOM 0 H LYS A 45 106.875 -11.104 -4.809 1.00 0.00 H new ATOM 0 HA LYS A 45 106.881 -10.733 -7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.105 -12.892 -5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.535 -13.044 -7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 45 107.873 -12.818 -8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 45 108.462 -12.601 -6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 45 107.992 -14.850 -5.945 1.00 0.00 H new ATOM 0 HD3 LYS A 45 106.798 -15.055 -7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 45 109.799 -14.696 -7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 45 108.967 -16.238 -7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 108.867 -15.678 -9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 107.413 -14.969 -9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.794 -14.007 -9.634 1.00 0.00 H new ATOM 717 N LYS A 46 104.054 -10.318 -6.101 1.00 0.00 N ATOM 718 CA LYS A 46 102.638 -9.905 -6.320 1.00 0.00 C ATOM 719 C LYS A 46 102.593 -8.536 -7.004 1.00 0.00 C ATOM 720 O LYS A 46 102.227 -8.419 -8.157 1.00 0.00 O ATOM 721 CB LYS A 46 101.914 -9.824 -4.974 1.00 0.00 C ATOM 722 CG LYS A 46 101.665 -11.237 -4.441 1.00 0.00 C ATOM 723 CD LYS A 46 100.231 -11.662 -4.769 1.00 0.00 C ATOM 724 CE LYS A 46 99.975 -13.065 -4.216 1.00 0.00 C ATOM 725 NZ LYS A 46 99.722 -14.004 -5.344 1.00 0.00 N ATOM 0 H LYS A 46 104.361 -10.324 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 46 102.147 -10.641 -6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.512 -9.255 -4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 46 100.968 -9.296 -5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 46 102.373 -11.935 -4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 46 101.826 -11.264 -3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 46 99.523 -10.955 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 46 100.075 -11.651 -5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 46 100.834 -13.401 -3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 46 99.119 -13.051 -3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 99.548 -14.958 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 98.890 -13.686 -5.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 100.551 -14.025 -5.971 1.00 0.00 H new ATOM 739 N ILE A 47 102.952 -7.497 -6.300 1.00 0.00 N ATOM 740 CA ILE A 47 102.918 -6.134 -6.906 1.00 0.00 C ATOM 741 C ILE A 47 103.729 -6.116 -8.205 1.00 0.00 C ATOM 742 O ILE A 47 103.493 -5.309 -9.081 1.00 0.00 O ATOM 743 CB ILE A 47 103.521 -5.127 -5.927 1.00 0.00 C ATOM 744 CG1 ILE A 47 102.843 -5.302 -4.547 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.321 -3.711 -6.486 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.354 -3.961 -3.981 1.00 0.00 C ATOM 0 H ILE A 47 103.268 -7.533 -5.331 1.00 0.00 H new ATOM 0 HA ILE A 47 101.883 -5.869 -7.123 1.00 0.00 H new ATOM 0 HB ILE A 47 104.591 -5.294 -5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.000 -5.987 -4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.548 -5.756 -3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 47 103.748 -2.984 -5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.817 -3.628 -7.453 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.256 -3.515 -6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.884 -4.125 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 47 103.201 -3.285 -3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.630 -3.520 -4.665 1.00 0.00 H new ATOM 758 N MET A 48 104.689 -6.988 -8.330 1.00 0.00 N ATOM 759 CA MET A 48 105.524 -7.010 -9.566 1.00 0.00 C ATOM 760 C MET A 48 104.647 -6.832 -10.809 1.00 0.00 C ATOM 761 O MET A 48 105.081 -6.294 -11.808 1.00 0.00 O ATOM 762 CB MET A 48 106.267 -8.344 -9.654 1.00 0.00 C ATOM 763 CG MET A 48 107.281 -8.289 -10.797 1.00 0.00 C ATOM 764 SD MET A 48 108.952 -8.143 -10.117 1.00 0.00 S ATOM 765 CE MET A 48 109.067 -9.816 -9.437 1.00 0.00 C ATOM 0 H MET A 48 104.933 -7.688 -7.630 1.00 0.00 H new ATOM 0 HA MET A 48 106.240 -6.189 -9.521 1.00 0.00 H new ATOM 0 HB2 MET A 48 106.775 -8.552 -8.713 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.559 -9.156 -9.820 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.204 -9.187 -11.409 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.066 -7.441 -11.447 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.111 -10.130 -9.417 1.00 0.00 H new ATOM 0 HE2 MET A 48 108.666 -9.825 -8.423 1.00 0.00 H new ATOM 0 HE3 MET A 48 108.494 -10.502 -10.060 1.00 0.00 H new ATOM 775 N GLU A 49 103.422 -7.282 -10.770 1.00 0.00 N ATOM 776 CA GLU A 49 102.546 -7.132 -11.969 1.00 0.00 C ATOM 777 C GLU A 49 101.206 -6.514 -11.565 1.00 0.00 C ATOM 778 O GLU A 49 100.329 -6.325 -12.386 1.00 0.00 O ATOM 779 CB GLU A 49 102.305 -8.507 -12.597 1.00 0.00 C ATOM 780 CG GLU A 49 103.642 -9.110 -13.035 1.00 0.00 C ATOM 781 CD GLU A 49 104.224 -9.945 -11.895 1.00 0.00 C ATOM 782 OE1 GLU A 49 103.478 -10.275 -10.987 1.00 0.00 O ATOM 783 OE2 GLU A 49 105.406 -10.242 -11.948 1.00 0.00 O ATOM 0 H GLU A 49 102.992 -7.743 -9.968 1.00 0.00 H new ATOM 0 HA GLU A 49 103.036 -6.479 -12.691 1.00 0.00 H new ATOM 0 HB2 GLU A 49 101.815 -9.165 -11.880 1.00 0.00 H new ATOM 0 HB3 GLU A 49 101.637 -8.415 -13.454 1.00 0.00 H new ATOM 0 HG2 GLU A 49 103.500 -9.731 -13.919 1.00 0.00 H new ATOM 0 HG3 GLU A 49 104.337 -8.317 -13.311 1.00 0.00 H new ATOM 790 N LYS A 50 101.035 -6.198 -10.313 1.00 0.00 N ATOM 791 CA LYS A 50 99.747 -5.595 -9.870 1.00 0.00 C ATOM 792 C LYS A 50 99.829 -4.068 -9.956 1.00 0.00 C ATOM 793 O LYS A 50 98.825 -3.385 -9.975 1.00 0.00 O ATOM 794 CB LYS A 50 99.460 -6.014 -8.429 1.00 0.00 C ATOM 795 CG LYS A 50 98.061 -5.541 -8.029 1.00 0.00 C ATOM 796 CD LYS A 50 97.436 -6.523 -7.029 1.00 0.00 C ATOM 797 CE LYS A 50 98.499 -7.031 -6.051 1.00 0.00 C ATOM 798 NZ LYS A 50 98.985 -8.370 -6.492 1.00 0.00 N ATOM 0 H LYS A 50 101.729 -6.331 -9.578 1.00 0.00 H new ATOM 0 HA LYS A 50 98.944 -5.945 -10.518 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.530 -7.098 -8.333 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.206 -5.586 -7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.118 -4.547 -7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.430 -5.460 -8.914 1.00 0.00 H new ATOM 0 HD2 LYS A 50 96.632 -6.032 -6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.991 -7.363 -7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.331 -6.328 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.081 -7.097 -5.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.954 -9.032 -5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 98.377 -8.725 -7.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 99.963 -8.288 -6.836 1.00 0.00 H new ATOM 812 N TYR A 51 101.016 -3.525 -10.006 1.00 0.00 N ATOM 813 CA TYR A 51 101.155 -2.042 -10.087 1.00 0.00 C ATOM 814 C TYR A 51 102.323 -1.680 -10.995 1.00 0.00 C ATOM 815 O TYR A 51 102.820 -0.576 -10.942 1.00 0.00 O ATOM 816 CB TYR A 51 101.458 -1.471 -8.698 1.00 0.00 C ATOM 817 CG TYR A 51 100.246 -1.577 -7.815 1.00 0.00 C ATOM 818 CD1 TYR A 51 100.039 -2.732 -7.059 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.330 -0.521 -7.753 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.913 -2.834 -6.237 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.204 -0.620 -6.935 1.00 0.00 C ATOM 822 CZ TYR A 51 97.993 -1.778 -6.173 1.00 0.00 C ATOM 823 OH TYR A 51 96.881 -1.878 -5.363 1.00 0.00 O ATOM 0 H TYR A 51 101.894 -4.043 -9.994 1.00 0.00 H new ATOM 0 HA TYR A 51 100.223 -1.632 -10.477 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.292 -2.011 -8.249 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.763 -0.428 -8.785 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.748 -3.545 -7.109 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.495 0.371 -8.339 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.752 -3.727 -5.651 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.496 0.194 -6.889 1.00 0.00 H new ATOM 0 HH TYR A 51 96.349 -1.058 -5.436 1.00 0.00 H new ATOM 833 N SER A 52 102.801 -2.597 -11.801 1.00 0.00 N ATOM 834 CA SER A 52 103.977 -2.263 -12.659 1.00 0.00 C ATOM 835 C SER A 52 104.991 -1.563 -11.759 1.00 0.00 C ATOM 836 O SER A 52 105.419 -0.455 -12.014 1.00 0.00 O ATOM 837 CB SER A 52 103.552 -1.333 -13.795 1.00 0.00 C ATOM 838 OG SER A 52 103.663 -2.022 -15.034 1.00 0.00 O ATOM 0 H SER A 52 102.435 -3.544 -11.900 1.00 0.00 H new ATOM 0 HA SER A 52 104.404 -3.161 -13.107 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.526 -0.999 -13.642 1.00 0.00 H new ATOM 0 HB3 SER A 52 104.179 -0.441 -13.804 1.00 0.00 H new ATOM 0 HG SER A 52 103.389 -1.428 -15.764 1.00 0.00 H new ATOM 844 N VAL A 53 105.307 -2.210 -10.670 1.00 0.00 N ATOM 845 CA VAL A 53 106.232 -1.652 -9.642 1.00 0.00 C ATOM 846 C VAL A 53 107.179 -0.580 -10.198 1.00 0.00 C ATOM 847 O VAL A 53 107.448 0.406 -9.543 1.00 0.00 O ATOM 848 CB VAL A 53 107.037 -2.795 -9.030 1.00 0.00 C ATOM 849 CG1 VAL A 53 106.129 -3.598 -8.091 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.557 -3.713 -10.140 1.00 0.00 C ATOM 0 H VAL A 53 104.948 -3.137 -10.443 1.00 0.00 H new ATOM 0 HA VAL A 53 105.622 -1.158 -8.885 1.00 0.00 H new ATOM 0 HB VAL A 53 107.882 -2.390 -8.474 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.696 -4.417 -7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.756 -2.947 -7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 53 105.288 -4.002 -8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 53 108.131 -4.528 -9.699 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.715 -4.123 -10.698 1.00 0.00 H new ATOM 0 HG23 VAL A 53 108.196 -3.143 -10.815 1.00 0.00 H new ATOM 860 N THR A 54 107.708 -0.753 -11.373 1.00 0.00 N ATOM 861 CA THR A 54 108.648 0.279 -11.904 1.00 0.00 C ATOM 862 C THR A 54 109.954 0.217 -11.107 1.00 0.00 C ATOM 863 O THR A 54 110.835 1.034 -11.278 1.00 0.00 O ATOM 864 CB THR A 54 108.021 1.666 -11.748 1.00 0.00 C ATOM 865 OG1 THR A 54 106.616 1.533 -11.582 1.00 0.00 O ATOM 866 CG2 THR A 54 108.312 2.501 -12.996 1.00 0.00 C ATOM 0 H THR A 54 107.537 -1.551 -11.985 1.00 0.00 H new ATOM 0 HA THR A 54 108.849 0.090 -12.959 1.00 0.00 H new ATOM 0 HB THR A 54 108.445 2.161 -10.874 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.270 0.887 -12.232 1.00 0.00 H new ATOM 0 HG21 THR A 54 107.865 3.489 -12.885 1.00 0.00 H new ATOM 0 HG22 THR A 54 109.390 2.602 -13.123 1.00 0.00 H new ATOM 0 HG23 THR A 54 107.888 2.008 -13.871 1.00 0.00 H new ATOM 874 N PHE A 55 110.065 -0.760 -10.241 1.00 0.00 N ATOM 875 CA PHE A 55 111.276 -0.944 -9.396 1.00 0.00 C ATOM 876 C PHE A 55 110.824 -1.553 -8.072 1.00 0.00 C ATOM 877 O PHE A 55 110.230 -0.889 -7.244 1.00 0.00 O ATOM 878 CB PHE A 55 111.986 0.380 -9.110 1.00 0.00 C ATOM 879 CG PHE A 55 113.080 0.108 -8.112 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.089 -0.805 -8.432 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.078 0.742 -6.866 1.00 0.00 C ATOM 882 CE1 PHE A 55 115.098 -1.085 -7.509 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.091 0.467 -5.942 1.00 0.00 C ATOM 884 CZ PHE A 55 115.101 -0.450 -6.263 1.00 0.00 C ATOM 0 H PHE A 55 109.339 -1.459 -10.083 1.00 0.00 H new ATOM 0 HA PHE A 55 111.979 -1.587 -9.926 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.401 0.797 -10.028 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.283 1.113 -8.716 1.00 0.00 H new ATOM 0 HD1 PHE A 55 114.088 -1.294 -9.395 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.295 1.443 -6.617 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.876 -1.792 -7.757 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.095 0.961 -4.982 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.881 -0.666 -5.548 1.00 0.00 H new ATOM 894 N ILE A 56 111.079 -2.811 -7.874 1.00 0.00 N ATOM 895 CA ILE A 56 110.646 -3.466 -6.612 1.00 0.00 C ATOM 896 C ILE A 56 111.859 -4.089 -5.923 1.00 0.00 C ATOM 897 O ILE A 56 112.306 -5.160 -6.283 1.00 0.00 O ATOM 898 CB ILE A 56 109.619 -4.546 -6.955 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.259 -5.350 -5.706 1.00 0.00 C ATOM 900 CG2 ILE A 56 110.199 -5.482 -8.016 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.080 -6.263 -6.038 1.00 0.00 C ATOM 0 H ILE A 56 111.570 -3.417 -8.532 1.00 0.00 H new ATOM 0 HA ILE A 56 110.198 -2.736 -5.938 1.00 0.00 H new ATOM 0 HB ILE A 56 108.718 -4.068 -7.339 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.114 -5.941 -5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.000 -4.680 -4.886 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.467 -6.252 -8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.439 -4.911 -8.913 1.00 0.00 H new ATOM 0 HG23 ILE A 56 111.105 -5.951 -7.631 1.00 0.00 H new ATOM 0 HD11 ILE A 56 107.810 -6.844 -5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.228 -5.658 -6.349 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.359 -6.939 -6.846 1.00 0.00 H new ATOM 913 N SER A 57 112.409 -3.418 -4.947 1.00 0.00 N ATOM 914 CA SER A 57 113.604 -3.967 -4.254 1.00 0.00 C ATOM 915 C SER A 57 113.239 -4.435 -2.845 1.00 0.00 C ATOM 916 O SER A 57 112.249 -4.029 -2.274 1.00 0.00 O ATOM 917 CB SER A 57 114.669 -2.876 -4.152 1.00 0.00 C ATOM 918 OG SER A 57 114.035 -1.621 -3.938 1.00 0.00 O ATOM 0 H SER A 57 112.082 -2.516 -4.602 1.00 0.00 H new ATOM 0 HA SER A 57 113.982 -4.816 -4.824 1.00 0.00 H new ATOM 0 HB2 SER A 57 115.354 -3.095 -3.333 1.00 0.00 H new ATOM 0 HB3 SER A 57 115.264 -2.845 -5.065 1.00 0.00 H new ATOM 0 HG SER A 57 113.810 -1.216 -4.802 1.00 0.00 H new ATOM 924 N ARG A 58 114.057 -5.276 -2.279 1.00 0.00 N ATOM 925 CA ARG A 58 113.805 -5.772 -0.899 1.00 0.00 C ATOM 926 C ARG A 58 115.068 -5.509 -0.072 1.00 0.00 C ATOM 927 O ARG A 58 116.076 -6.168 -0.244 1.00 0.00 O ATOM 928 CB ARG A 58 113.509 -7.272 -0.935 1.00 0.00 C ATOM 929 CG ARG A 58 113.178 -7.764 0.475 1.00 0.00 C ATOM 930 CD ARG A 58 111.933 -8.651 0.427 1.00 0.00 C ATOM 931 NE ARG A 58 112.252 -9.985 1.009 1.00 0.00 N ATOM 932 CZ ARG A 58 113.307 -10.638 0.601 1.00 0.00 C ATOM 933 NH1 ARG A 58 113.228 -11.418 -0.443 1.00 0.00 N ATOM 934 NH2 ARG A 58 114.438 -10.511 1.237 1.00 0.00 N ATOM 0 H ARG A 58 114.900 -5.645 -2.719 1.00 0.00 H new ATOM 0 HA ARG A 58 112.948 -5.262 -0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 58 112.674 -7.472 -1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.370 -7.813 -1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 58 114.020 -8.323 0.884 1.00 0.00 H new ATOM 0 HG3 ARG A 58 113.007 -6.915 1.137 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.119 -8.185 0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.593 -8.763 -0.602 1.00 0.00 H new ATOM 0 HE ARG A 58 111.647 -10.388 1.725 1.00 0.00 H new ATOM 0 HH11 ARG A 58 112.343 -11.517 -0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 58 114.052 -11.928 -0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 58 114.499 -9.902 2.053 1.00 0.00 H new ATOM 0 HH22 ARG A 58 115.262 -11.021 0.919 1.00 0.00 H new ATOM 948 N HIS A 59 115.035 -4.534 0.797 1.00 0.00 N ATOM 949 CA HIS A 59 116.252 -4.212 1.603 1.00 0.00 C ATOM 950 C HIS A 59 116.090 -4.692 3.048 1.00 0.00 C ATOM 951 O HIS A 59 115.072 -5.234 3.428 1.00 0.00 O ATOM 952 CB HIS A 59 116.468 -2.697 1.596 1.00 0.00 C ATOM 953 CG HIS A 59 116.565 -2.212 0.175 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.752 -1.743 -0.365 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.634 -2.118 -0.829 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.506 -1.391 -1.641 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.230 -1.599 -1.974 1.00 0.00 N ATOM 0 H HIS A 59 114.222 -3.948 0.984 1.00 0.00 H new ATOM 0 HA HIS A 59 117.110 -4.720 1.162 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.644 -2.199 2.106 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.378 -2.446 2.140 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.596 -2.404 -0.743 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.250 -0.989 -2.313 1.00 0.00 H new ATOM 0 HE2 HIS A 59 115.787 -1.417 -2.875 1.00 0.00 H new ATOM 965 N ASN A 60 117.099 -4.485 3.856 1.00 0.00 N ATOM 966 CA ASN A 60 117.028 -4.912 5.283 1.00 0.00 C ATOM 967 C ASN A 60 117.233 -3.693 6.183 1.00 0.00 C ATOM 968 O ASN A 60 118.063 -2.844 5.911 1.00 0.00 O ATOM 969 CB ASN A 60 118.127 -5.936 5.568 1.00 0.00 C ATOM 970 CG ASN A 60 117.522 -7.339 5.618 1.00 0.00 C ATOM 971 OD1 ASN A 60 116.802 -7.760 4.616 1.00 0.00 O flip ATOM 972 ND2 ASN A 60 117.706 -8.059 6.578 1.00 0.00 N flip ATOM 0 H ASN A 60 117.974 -4.036 3.585 1.00 0.00 H new ATOM 0 HA ASN A 60 116.054 -5.360 5.480 1.00 0.00 H new ATOM 0 HB2 ASN A 60 118.893 -5.887 4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.615 -5.706 6.515 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.269 -7.730 7.362 1.00 0.00 H new ATOM 0 HD22 ASN A 60 117.297 -8.993 6.601 1.00 0.00 H new ATOM 979 N SER A 61 116.486 -3.594 7.248 1.00 0.00 N ATOM 980 CA SER A 61 116.640 -2.422 8.156 1.00 0.00 C ATOM 981 C SER A 61 117.176 -2.883 9.516 1.00 0.00 C ATOM 982 O SER A 61 118.224 -2.452 9.953 1.00 0.00 O ATOM 983 CB SER A 61 115.283 -1.735 8.327 1.00 0.00 C ATOM 984 OG SER A 61 114.931 -1.701 9.704 1.00 0.00 O ATOM 0 H SER A 61 115.777 -4.272 7.528 1.00 0.00 H new ATOM 0 HA SER A 61 117.349 -1.715 7.724 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.325 -0.722 7.928 1.00 0.00 H new ATOM 0 HB3 SER A 61 114.520 -2.269 7.760 1.00 0.00 H new ATOM 0 HG SER A 61 115.481 -1.034 10.166 1.00 0.00 H new ATOM 990 N TYR A 62 116.471 -3.748 10.189 1.00 0.00 N ATOM 991 CA TYR A 62 116.955 -4.220 11.517 1.00 0.00 C ATOM 992 C TYR A 62 116.407 -5.620 11.798 1.00 0.00 C ATOM 993 O TYR A 62 117.152 -6.567 11.952 1.00 0.00 O ATOM 994 CB TYR A 62 116.478 -3.253 12.604 1.00 0.00 C ATOM 995 CG TYR A 62 117.209 -1.939 12.458 1.00 0.00 C ATOM 996 CD1 TYR A 62 118.532 -1.819 12.899 1.00 0.00 C ATOM 997 CD2 TYR A 62 116.565 -0.840 11.875 1.00 0.00 C ATOM 998 CE1 TYR A 62 119.209 -0.604 12.759 1.00 0.00 C ATOM 999 CE2 TYR A 62 117.243 0.374 11.734 1.00 0.00 C ATOM 1000 CZ TYR A 62 118.565 0.494 12.177 1.00 0.00 C ATOM 1001 OH TYR A 62 119.234 1.693 12.037 1.00 0.00 O ATOM 0 H TYR A 62 115.585 -4.147 9.880 1.00 0.00 H new ATOM 0 HA TYR A 62 118.044 -4.256 11.514 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.403 -3.095 12.521 1.00 0.00 H new ATOM 0 HB3 TYR A 62 116.662 -3.677 13.591 1.00 0.00 H new ATOM 0 HD1 TYR A 62 119.030 -2.666 13.348 1.00 0.00 H new ATOM 0 HD2 TYR A 62 115.544 -0.931 11.534 1.00 0.00 H new ATOM 0 HE1 TYR A 62 120.230 -0.512 13.100 1.00 0.00 H new ATOM 0 HE2 TYR A 62 116.746 1.220 11.283 1.00 0.00 H new ATOM 0 HH TYR A 62 118.847 2.198 11.292 1.00 0.00 H new ATOM 1011 N ASN A 63 115.113 -5.759 11.870 1.00 0.00 N ATOM 1012 CA ASN A 63 114.525 -7.100 12.144 1.00 0.00 C ATOM 1013 C ASN A 63 113.592 -7.497 10.999 1.00 0.00 C ATOM 1014 O ASN A 63 112.975 -8.542 11.028 1.00 0.00 O ATOM 1015 CB ASN A 63 113.730 -7.050 13.450 1.00 0.00 C ATOM 1016 CG ASN A 63 114.691 -6.908 14.632 1.00 0.00 C ATOM 1017 OD1 ASN A 63 115.572 -7.725 14.817 1.00 0.00 O ATOM 1018 ND2 ASN A 63 114.558 -5.897 15.448 1.00 0.00 N ATOM 0 H ASN A 63 114.438 -5.004 11.751 1.00 0.00 H new ATOM 0 HA ASN A 63 115.326 -7.834 12.230 1.00 0.00 H new ATOM 0 HB2 ASN A 63 113.034 -6.211 13.432 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.134 -7.956 13.560 1.00 0.00 H new ATOM 0 HD21 ASN A 63 115.193 -5.794 16.240 1.00 0.00 H new ATOM 0 HD22 ASN A 63 113.819 -5.211 15.294 1.00 0.00 H new ATOM 1025 N HIS A 64 113.479 -6.673 9.992 1.00 0.00 N ATOM 1026 CA HIS A 64 112.577 -7.014 8.856 1.00 0.00 C ATOM 1027 C HIS A 64 113.122 -6.413 7.557 1.00 0.00 C ATOM 1028 O HIS A 64 114.228 -5.914 7.509 1.00 0.00 O ATOM 1029 CB HIS A 64 111.180 -6.464 9.142 1.00 0.00 C ATOM 1030 CG HIS A 64 110.703 -6.999 10.465 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.462 -6.177 11.554 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.423 -8.274 10.889 1.00 0.00 C ATOM 1033 CE1 HIS A 64 110.057 -6.960 12.571 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.015 -8.247 12.220 1.00 0.00 N ATOM 0 H HIS A 64 113.970 -5.783 9.907 1.00 0.00 H new ATOM 0 HA HIS A 64 112.525 -8.097 8.744 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.202 -5.374 9.162 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.492 -6.754 8.348 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.506 -9.163 10.282 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.797 -6.591 13.552 1.00 0.00 H new ATOM 0 HE2 HIS A 64 109.743 -9.040 12.801 1.00 0.00 H new ATOM 1042 N ASN A 65 112.358 -6.470 6.498 1.00 0.00 N ATOM 1043 CA ASN A 65 112.840 -5.917 5.199 1.00 0.00 C ATOM 1044 C ASN A 65 111.937 -4.765 4.747 1.00 0.00 C ATOM 1045 O ASN A 65 110.861 -4.559 5.273 1.00 0.00 O ATOM 1046 CB ASN A 65 112.806 -7.018 4.136 1.00 0.00 C ATOM 1047 CG ASN A 65 113.984 -7.972 4.342 1.00 0.00 C ATOM 1048 OD1 ASN A 65 114.743 -8.224 3.427 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.167 -8.520 5.512 1.00 0.00 N ATOM 0 H ASN A 65 111.422 -6.875 6.477 1.00 0.00 H new ATOM 0 HA ASN A 65 113.858 -5.549 5.328 1.00 0.00 H new ATOM 0 HB2 ASN A 65 111.866 -7.567 4.197 1.00 0.00 H new ATOM 0 HB3 ASN A 65 112.853 -6.577 3.140 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.947 -9.160 5.659 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.530 -8.308 6.280 1.00 0.00 H new ATOM 1056 N ILE A 66 112.368 -4.023 3.761 1.00 0.00 N ATOM 1057 CA ILE A 66 111.542 -2.893 3.248 1.00 0.00 C ATOM 1058 C ILE A 66 111.289 -3.111 1.756 1.00 0.00 C ATOM 1059 O ILE A 66 112.170 -2.934 0.937 1.00 0.00 O ATOM 1060 CB ILE A 66 112.290 -1.572 3.449 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.414 -1.278 4.945 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.517 -0.437 2.770 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.599 -2.055 5.522 1.00 0.00 C ATOM 0 H ILE A 66 113.262 -4.153 3.287 1.00 0.00 H new ATOM 0 HA ILE A 66 110.596 -2.852 3.788 1.00 0.00 H new ATOM 0 HB ILE A 66 113.284 -1.649 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.554 -0.209 5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.495 -1.560 5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.050 0.503 2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.428 -0.645 1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.522 -0.361 3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.687 -1.845 6.588 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.440 -3.123 5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.515 -1.751 5.015 1.00 0.00 H new ATOM 1075 N LEU A 67 110.100 -3.505 1.393 1.00 0.00 N ATOM 1076 CA LEU A 67 109.805 -3.744 -0.048 1.00 0.00 C ATOM 1077 C LEU A 67 109.537 -2.413 -0.749 1.00 0.00 C ATOM 1078 O LEU A 67 108.450 -1.874 -0.696 1.00 0.00 O ATOM 1079 CB LEU A 67 108.579 -4.643 -0.179 1.00 0.00 C ATOM 1080 CG LEU A 67 108.263 -4.859 -1.658 1.00 0.00 C ATOM 1081 CD1 LEU A 67 109.328 -5.763 -2.282 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.892 -5.519 -1.791 1.00 0.00 C ATOM 0 H LEU A 67 109.321 -3.672 2.030 1.00 0.00 H new ATOM 0 HA LEU A 67 110.663 -4.230 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.763 -5.600 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.726 -4.188 0.324 1.00 0.00 H new ATOM 0 HG LEU A 67 108.257 -3.899 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 67 109.102 -5.917 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.307 -5.293 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 67 109.335 -6.725 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.664 -5.674 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.899 -6.480 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.133 -4.875 -1.347 1.00 0.00 H new ATOM 1094 N PHE A 68 110.528 -1.887 -1.408 1.00 0.00 N ATOM 1095 CA PHE A 68 110.362 -0.594 -2.125 1.00 0.00 C ATOM 1096 C PHE A 68 109.748 -0.850 -3.505 1.00 0.00 C ATOM 1097 O PHE A 68 110.399 -1.363 -4.387 1.00 0.00 O ATOM 1098 CB PHE A 68 111.742 0.039 -2.302 1.00 0.00 C ATOM 1099 CG PHE A 68 111.642 1.527 -2.117 1.00 0.00 C ATOM 1100 CD1 PHE A 68 110.898 2.050 -1.056 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.294 2.381 -3.008 1.00 0.00 C ATOM 1102 CE1 PHE A 68 110.803 3.431 -0.885 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.201 3.766 -2.839 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.454 4.292 -1.778 1.00 0.00 C ATOM 0 H PHE A 68 111.457 -2.302 -1.482 1.00 0.00 H new ATOM 0 HA PHE A 68 109.709 0.068 -1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.441 -0.381 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.133 -0.189 -3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.397 1.385 -0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 68 112.869 1.973 -3.826 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.228 3.836 -0.065 1.00 0.00 H new ATOM 0 HE2 PHE A 68 112.705 4.429 -3.526 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.380 5.362 -1.648 1.00 0.00 H new ATOM 1114 N PHE A 69 108.506 -0.501 -3.712 1.00 0.00 N ATOM 1115 CA PHE A 69 107.907 -0.749 -5.056 1.00 0.00 C ATOM 1116 C PHE A 69 107.255 0.522 -5.602 1.00 0.00 C ATOM 1117 O PHE A 69 106.457 1.163 -4.947 1.00 0.00 O ATOM 1118 CB PHE A 69 106.874 -1.877 -4.969 1.00 0.00 C ATOM 1119 CG PHE A 69 105.655 -1.420 -4.206 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.701 -1.302 -2.813 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.470 -1.134 -4.893 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.563 -0.894 -2.108 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.331 -0.729 -4.189 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.376 -0.608 -2.797 1.00 0.00 C ATOM 0 H PHE A 69 107.891 -0.064 -3.025 1.00 0.00 H new ATOM 0 HA PHE A 69 108.703 -1.046 -5.739 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.586 -2.192 -5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.314 -2.744 -4.477 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.614 -1.526 -2.282 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.435 -1.226 -5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.599 -0.799 -1.033 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.417 -0.510 -4.721 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.497 -0.295 -2.253 1.00 0.00 H new ATOM 1134 N LEU A 70 107.601 0.884 -6.810 1.00 0.00 N ATOM 1135 CA LEU A 70 107.025 2.109 -7.439 1.00 0.00 C ATOM 1136 C LEU A 70 105.738 1.745 -8.184 1.00 0.00 C ATOM 1137 O LEU A 70 105.270 0.630 -8.120 1.00 0.00 O ATOM 1138 CB LEU A 70 108.029 2.663 -8.454 1.00 0.00 C ATOM 1139 CG LEU A 70 108.614 3.983 -7.957 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.357 3.752 -6.640 1.00 0.00 C ATOM 1141 CD2 LEU A 70 109.588 4.519 -9.011 1.00 0.00 C ATOM 0 H LEU A 70 108.266 0.377 -7.394 1.00 0.00 H new ATOM 0 HA LEU A 70 106.812 2.848 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.829 1.941 -8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.538 2.814 -9.415 1.00 0.00 H new ATOM 0 HG LEU A 70 107.814 4.704 -7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.774 4.695 -6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 70 108.664 3.360 -5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 70 110.163 3.036 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 70 110.013 5.462 -8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 70 110.389 3.796 -9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 70 109.056 4.681 -9.949 1.00 0.00 H new ATOM 1153 N THR A 71 105.176 2.677 -8.903 1.00 0.00 N ATOM 1154 CA THR A 71 103.934 2.387 -9.679 1.00 0.00 C ATOM 1155 C THR A 71 103.770 3.454 -10.767 1.00 0.00 C ATOM 1156 O THR A 71 104.092 4.606 -10.549 1.00 0.00 O ATOM 1157 CB THR A 71 102.715 2.431 -8.756 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.523 3.762 -8.304 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.925 1.505 -7.557 1.00 0.00 C ATOM 0 H THR A 71 105.524 3.632 -8.988 1.00 0.00 H new ATOM 0 HA THR A 71 104.012 1.395 -10.125 1.00 0.00 H new ATOM 0 HB THR A 71 101.835 2.096 -9.306 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.567 3.925 -8.162 1.00 0.00 H new ATOM 0 HG21 THR A 71 102.050 1.546 -6.908 1.00 0.00 H new ATOM 0 HG22 THR A 71 103.070 0.483 -7.907 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.805 1.825 -7.000 1.00 0.00 H new ATOM 1167 N PRO A 72 103.261 3.050 -11.904 1.00 0.00 N ATOM 1168 CA PRO A 72 103.032 3.963 -13.034 1.00 0.00 C ATOM 1169 C PRO A 72 101.770 4.789 -12.783 1.00 0.00 C ATOM 1170 O PRO A 72 101.839 5.969 -12.503 1.00 0.00 O ATOM 1171 CB PRO A 72 102.850 3.028 -14.229 1.00 0.00 C ATOM 1172 CG PRO A 72 102.426 1.660 -13.647 1.00 0.00 C ATOM 1173 CD PRO A 72 102.870 1.653 -12.169 1.00 0.00 C ATOM 0 HA PRO A 72 103.843 4.675 -13.189 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.092 3.412 -14.912 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.776 2.939 -14.798 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.348 1.522 -13.728 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.894 0.843 -14.196 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.061 1.334 -11.511 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.702 0.968 -12.006 1.00 0.00 H new ATOM 1181 N HIS A 73 100.615 4.181 -12.864 1.00 0.00 N ATOM 1182 CA HIS A 73 99.368 4.953 -12.608 1.00 0.00 C ATOM 1183 C HIS A 73 99.474 5.591 -11.223 1.00 0.00 C ATOM 1184 O HIS A 73 100.358 5.273 -10.454 1.00 0.00 O ATOM 1185 CB HIS A 73 98.136 4.035 -12.687 1.00 0.00 C ATOM 1186 CG HIS A 73 98.297 2.829 -11.793 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.503 2.628 -10.672 1.00 0.00 N ATOM 1188 CD2 HIS A 73 99.135 1.742 -11.853 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.877 1.462 -10.110 1.00 0.00 C ATOM 1190 NE2 HIS A 73 98.867 0.881 -10.792 1.00 0.00 N ATOM 0 H HIS A 73 100.484 3.196 -13.093 1.00 0.00 H new ATOM 0 HA HIS A 73 99.250 5.728 -13.366 1.00 0.00 H new ATOM 0 HB2 HIS A 73 97.245 4.591 -12.395 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.986 3.711 -13.717 1.00 0.00 H new ATOM 0 HD1 HIS A 73 96.769 3.251 -10.335 1.00 0.00 H new ATOM 0 HD2 HIS A 73 99.888 1.580 -12.610 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.431 1.048 -9.218 1.00 0.00 H new ATOM 1198 N ARG A 74 98.599 6.500 -10.899 1.00 0.00 N ATOM 1199 CA ARG A 74 98.681 7.154 -9.562 1.00 0.00 C ATOM 1200 C ARG A 74 97.628 6.558 -8.634 1.00 0.00 C ATOM 1201 O ARG A 74 96.548 6.190 -9.053 1.00 0.00 O ATOM 1202 CB ARG A 74 98.436 8.657 -9.713 1.00 0.00 C ATOM 1203 CG ARG A 74 99.777 9.389 -9.766 1.00 0.00 C ATOM 1204 CD ARG A 74 100.091 9.774 -11.212 1.00 0.00 C ATOM 1205 NE ARG A 74 100.393 11.232 -11.283 1.00 0.00 N ATOM 1206 CZ ARG A 74 101.332 11.664 -12.080 1.00 0.00 C ATOM 1207 NH1 ARG A 74 101.338 11.305 -13.334 1.00 0.00 N ATOM 1208 NH2 ARG A 74 102.263 12.456 -11.622 1.00 0.00 N ATOM 0 H ARG A 74 97.835 6.818 -11.496 1.00 0.00 H new ATOM 0 HA ARG A 74 99.672 6.987 -9.139 1.00 0.00 H new ATOM 0 HB2 ARG A 74 97.866 8.854 -10.621 1.00 0.00 H new ATOM 0 HB3 ARG A 74 97.841 9.025 -8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 74 99.741 10.281 -9.141 1.00 0.00 H new ATOM 0 HG3 ARG A 74 100.567 8.752 -9.368 1.00 0.00 H new ATOM 0 HD2 ARG A 74 100.941 9.197 -11.577 1.00 0.00 H new ATOM 0 HD3 ARG A 74 99.244 9.535 -11.855 1.00 0.00 H new ATOM 0 HE ARG A 74 99.867 11.891 -10.710 1.00 0.00 H new ATOM 0 HH11 ARG A 74 100.609 10.687 -13.691 1.00 0.00 H new ATOM 0 HH12 ARG A 74 102.071 11.642 -13.958 1.00 0.00 H new ATOM 0 HH21 ARG A 74 102.257 12.737 -10.642 1.00 0.00 H new ATOM 0 HH22 ARG A 74 102.997 12.794 -12.245 1.00 0.00 H new ATOM 1222 N HIS A 75 97.936 6.458 -7.372 1.00 0.00 N ATOM 1223 CA HIS A 75 96.957 5.884 -6.410 1.00 0.00 C ATOM 1224 C HIS A 75 97.077 6.610 -5.075 1.00 0.00 C ATOM 1225 O HIS A 75 97.987 7.384 -4.855 1.00 0.00 O ATOM 1226 CB HIS A 75 97.235 4.390 -6.179 1.00 0.00 C ATOM 1227 CG HIS A 75 98.352 3.915 -7.067 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.265 3.940 -8.448 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.588 3.397 -6.779 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.418 3.448 -8.933 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.257 3.102 -7.958 1.00 0.00 N ATOM 0 H HIS A 75 98.825 6.749 -6.965 1.00 0.00 H new ATOM 0 HA HIS A 75 95.956 6.004 -6.824 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.497 4.221 -5.135 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.333 3.812 -6.379 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.472 4.271 -8.997 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.981 3.242 -5.785 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.638 3.346 -9.985 1.00 0.00 H new ATOM 1239 N ARG A 76 96.174 6.352 -4.176 1.00 0.00 N ATOM 1240 CA ARG A 76 96.239 7.008 -2.846 1.00 0.00 C ATOM 1241 C ARG A 76 96.701 5.973 -1.822 1.00 0.00 C ATOM 1242 O ARG A 76 96.362 4.810 -1.910 1.00 0.00 O ATOM 1243 CB ARG A 76 94.853 7.529 -2.464 1.00 0.00 C ATOM 1244 CG ARG A 76 94.965 8.972 -1.971 1.00 0.00 C ATOM 1245 CD ARG A 76 93.896 9.828 -2.650 1.00 0.00 C ATOM 1246 NE ARG A 76 92.654 9.817 -1.826 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.799 10.799 -1.920 1.00 0.00 C ATOM 1248 NH1 ARG A 76 91.209 11.043 -3.058 1.00 0.00 N ATOM 1249 NH2 ARG A 76 91.535 11.536 -0.876 1.00 0.00 N ATOM 0 H ARG A 76 95.390 5.712 -4.306 1.00 0.00 H new ATOM 0 HA ARG A 76 96.936 7.846 -2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 76 94.185 7.479 -3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.419 6.901 -1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 76 94.841 9.008 -0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 76 95.957 9.367 -2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 76 94.256 10.850 -2.771 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.687 9.443 -3.648 1.00 0.00 H new ATOM 0 HE ARG A 76 92.472 9.042 -1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 76 91.416 10.467 -3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 76 90.541 11.810 -3.132 1.00 0.00 H new ATOM 0 HH21 ARG A 76 91.997 11.345 0.013 1.00 0.00 H new ATOM 0 HH22 ARG A 76 90.867 12.303 -0.949 1.00 0.00 H new ATOM 1263 N VAL A 77 97.477 6.375 -0.857 1.00 0.00 N ATOM 1264 CA VAL A 77 97.952 5.393 0.154 1.00 0.00 C ATOM 1265 C VAL A 77 96.751 4.632 0.723 1.00 0.00 C ATOM 1266 O VAL A 77 96.888 3.549 1.254 1.00 0.00 O ATOM 1267 CB VAL A 77 98.696 6.128 1.268 1.00 0.00 C ATOM 1268 CG1 VAL A 77 98.849 5.210 2.483 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.079 6.528 0.754 1.00 0.00 C ATOM 0 H VAL A 77 97.801 7.333 -0.725 1.00 0.00 H new ATOM 0 HA VAL A 77 98.634 4.681 -0.311 1.00 0.00 H new ATOM 0 HB VAL A 77 98.135 7.015 1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.380 5.739 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 77 97.863 4.915 2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.413 4.321 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.621 7.054 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.633 5.634 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 77 99.970 7.181 -0.112 1.00 0.00 H new ATOM 1279 N SER A 78 95.573 5.182 0.601 1.00 0.00 N ATOM 1280 CA SER A 78 94.368 4.476 1.119 1.00 0.00 C ATOM 1281 C SER A 78 94.109 3.244 0.249 1.00 0.00 C ATOM 1282 O SER A 78 93.857 2.164 0.743 1.00 0.00 O ATOM 1283 CB SER A 78 93.158 5.410 1.060 1.00 0.00 C ATOM 1284 OG SER A 78 93.350 6.364 0.024 1.00 0.00 O ATOM 0 H SER A 78 95.394 6.087 0.166 1.00 0.00 H new ATOM 0 HA SER A 78 94.532 4.173 2.153 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.250 4.836 0.877 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.028 5.916 2.017 1.00 0.00 H new ATOM 0 HG SER A 78 92.575 6.963 -0.017 1.00 0.00 H new ATOM 1290 N ALA A 79 94.181 3.396 -1.048 1.00 0.00 N ATOM 1291 CA ALA A 79 93.952 2.233 -1.950 1.00 0.00 C ATOM 1292 C ALA A 79 95.092 1.230 -1.760 1.00 0.00 C ATOM 1293 O ALA A 79 94.880 0.103 -1.360 1.00 0.00 O ATOM 1294 CB ALA A 79 93.922 2.707 -3.404 1.00 0.00 C ATOM 0 H ALA A 79 94.389 4.276 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 79 92.999 1.761 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.754 1.854 -4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.116 3.430 -3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.874 3.176 -3.654 1.00 0.00 H new ATOM 1300 N ILE A 80 96.305 1.635 -2.029 1.00 0.00 N ATOM 1301 CA ILE A 80 97.456 0.710 -1.844 1.00 0.00 C ATOM 1302 C ILE A 80 97.405 0.161 -0.419 1.00 0.00 C ATOM 1303 O ILE A 80 97.871 -0.925 -0.139 1.00 0.00 O ATOM 1304 CB ILE A 80 98.771 1.467 -2.058 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.791 2.077 -3.467 1.00 0.00 C ATOM 1306 CG2 ILE A 80 99.950 0.505 -1.895 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.106 0.991 -4.500 1.00 0.00 C ATOM 0 H ILE A 80 96.546 2.566 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 80 97.401 -0.106 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 80 98.853 2.265 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.826 2.534 -3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.538 2.869 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 80 100.884 1.045 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.937 0.080 -0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 80 99.870 -0.296 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.119 1.430 -5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.081 0.555 -4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.343 0.214 -4.455 1.00 0.00 H new ATOM 1319 N ASN A 81 96.825 0.909 0.481 1.00 0.00 N ATOM 1320 CA ASN A 81 96.717 0.443 1.890 1.00 0.00 C ATOM 1321 C ASN A 81 95.813 -0.790 1.922 1.00 0.00 C ATOM 1322 O ASN A 81 96.157 -1.811 2.473 1.00 0.00 O ATOM 1323 CB ASN A 81 96.120 1.571 2.747 1.00 0.00 C ATOM 1324 CG ASN A 81 95.437 0.993 3.990 1.00 0.00 C ATOM 1325 OD1 ASN A 81 96.165 0.494 4.950 1.00 0.00 O flip ATOM 1326 ND2 ASN A 81 94.225 0.996 4.089 1.00 0.00 N flip ATOM 0 H ASN A 81 96.420 1.827 0.298 1.00 0.00 H new ATOM 0 HA ASN A 81 97.698 0.183 2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 81 96.906 2.264 3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.399 2.140 2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 81 93.653 1.386 3.340 1.00 0.00 H new ATOM 0 HD22 ASN A 81 93.780 0.609 4.921 1.00 0.00 H new ATOM 1333 N ASN A 82 94.662 -0.706 1.324 1.00 0.00 N ATOM 1334 CA ASN A 82 93.752 -1.882 1.315 1.00 0.00 C ATOM 1335 C ASN A 82 94.518 -3.102 0.795 1.00 0.00 C ATOM 1336 O ASN A 82 94.138 -4.231 1.028 1.00 0.00 O ATOM 1337 CB ASN A 82 92.556 -1.599 0.402 1.00 0.00 C ATOM 1338 CG ASN A 82 91.261 -1.975 1.124 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.150 -3.050 1.678 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.268 -1.128 1.142 1.00 0.00 N ATOM 0 H ASN A 82 94.312 0.122 0.842 1.00 0.00 H new ATOM 0 HA ASN A 82 93.392 -2.077 2.325 1.00 0.00 H new ATOM 0 HB2 ASN A 82 92.538 -0.545 0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.648 -2.169 -0.522 1.00 0.00 H new ATOM 0 HD21 ASN A 82 89.400 -1.369 1.621 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.360 -0.225 0.677 1.00 0.00 H new ATOM 1347 N TYR A 83 95.596 -2.883 0.087 1.00 0.00 N ATOM 1348 CA TYR A 83 96.383 -4.033 -0.448 1.00 0.00 C ATOM 1349 C TYR A 83 97.452 -4.454 0.570 1.00 0.00 C ATOM 1350 O TYR A 83 97.270 -5.393 1.318 1.00 0.00 O ATOM 1351 CB TYR A 83 97.054 -3.622 -1.763 1.00 0.00 C ATOM 1352 CG TYR A 83 97.916 -4.750 -2.293 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.852 -6.029 -1.718 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.788 -4.512 -3.361 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.659 -7.060 -2.213 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.592 -5.543 -3.855 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.529 -6.817 -3.282 1.00 0.00 C ATOM 1358 OH TYR A 83 100.324 -7.834 -3.768 1.00 0.00 O ATOM 0 H TYR A 83 95.964 -1.960 -0.143 1.00 0.00 H new ATOM 0 HA TYR A 83 95.714 -4.875 -0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.294 -3.360 -2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.665 -2.733 -1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 83 97.180 -6.218 -0.894 1.00 0.00 H new ATOM 0 HD2 TYR A 83 98.840 -3.529 -3.805 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.610 -8.044 -1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.263 -5.355 -4.680 1.00 0.00 H new ATOM 0 HH TYR A 83 100.007 -8.693 -3.418 1.00 0.00 H new ATOM 1368 N ALA A 84 98.569 -3.775 0.598 1.00 0.00 N ATOM 1369 CA ALA A 84 99.648 -4.150 1.563 1.00 0.00 C ATOM 1370 C ALA A 84 99.059 -4.306 2.966 1.00 0.00 C ATOM 1371 O ALA A 84 99.365 -5.241 3.681 1.00 0.00 O ATOM 1372 CB ALA A 84 100.720 -3.060 1.578 1.00 0.00 C ATOM 0 H ALA A 84 98.782 -2.979 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 84 100.093 -5.096 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.507 -3.333 2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 84 101.146 -2.955 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 84 100.273 -2.114 1.883 1.00 0.00 H new ATOM 1378 N GLN A 85 98.223 -3.392 3.364 1.00 0.00 N ATOM 1379 CA GLN A 85 97.608 -3.471 4.721 1.00 0.00 C ATOM 1380 C GLN A 85 96.784 -4.754 4.845 1.00 0.00 C ATOM 1381 O GLN A 85 96.732 -5.369 5.892 1.00 0.00 O ATOM 1382 CB GLN A 85 96.694 -2.262 4.933 1.00 0.00 C ATOM 1383 CG GLN A 85 96.453 -2.057 6.430 1.00 0.00 C ATOM 1384 CD GLN A 85 97.556 -1.168 7.010 1.00 0.00 C ATOM 1385 OE1 GLN A 85 98.715 -1.112 6.413 1.00 0.00 O flip ATOM 1386 NE2 GLN A 85 97.360 -0.517 8.017 1.00 0.00 N flip ATOM 0 H GLN A 85 97.936 -2.588 2.806 1.00 0.00 H new ATOM 0 HA GLN A 85 98.397 -3.476 5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 85 97.148 -1.370 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.745 -2.416 4.419 1.00 0.00 H new ATOM 0 HG2 GLN A 85 95.478 -1.597 6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 85 96.441 -3.019 6.942 1.00 0.00 H new ATOM 0 HE21 GLN A 85 96.454 -0.560 8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 85 98.101 0.073 8.395 1.00 0.00 H new ATOM 1395 N LYS A 86 96.139 -5.165 3.788 1.00 0.00 N ATOM 1396 CA LYS A 86 95.322 -6.408 3.856 1.00 0.00 C ATOM 1397 C LYS A 86 96.245 -7.590 4.143 1.00 0.00 C ATOM 1398 O LYS A 86 95.827 -8.613 4.650 1.00 0.00 O ATOM 1399 CB LYS A 86 94.606 -6.624 2.521 1.00 0.00 C ATOM 1400 CG LYS A 86 93.198 -6.030 2.599 1.00 0.00 C ATOM 1401 CD LYS A 86 92.291 -6.970 3.395 1.00 0.00 C ATOM 1402 CE LYS A 86 90.911 -7.025 2.739 1.00 0.00 C ATOM 1403 NZ LYS A 86 90.415 -5.638 2.509 1.00 0.00 N ATOM 0 H LYS A 86 96.143 -4.695 2.883 1.00 0.00 H new ATOM 0 HA LYS A 86 94.578 -6.321 4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 86 95.167 -6.153 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 86 94.552 -7.688 2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 86 93.231 -5.050 3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.797 -5.884 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.727 -7.968 3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.202 -6.622 4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 86 90.967 -7.564 1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 86 90.215 -7.571 3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 89.403 -5.666 2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 90.553 -5.072 3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 90.942 -5.206 1.723 1.00 0.00 H new ATOM 1417 N LEU A 87 97.501 -7.451 3.826 1.00 0.00 N ATOM 1418 CA LEU A 87 98.464 -8.554 4.080 1.00 0.00 C ATOM 1419 C LEU A 87 99.066 -8.388 5.476 1.00 0.00 C ATOM 1420 O LEU A 87 100.267 -8.413 5.653 1.00 0.00 O ATOM 1421 CB LEU A 87 99.576 -8.506 3.031 1.00 0.00 C ATOM 1422 CG LEU A 87 98.951 -8.427 1.638 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.636 -7.328 0.828 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.133 -9.766 0.927 1.00 0.00 C ATOM 0 H LEU A 87 97.903 -6.616 3.400 1.00 0.00 H new ATOM 0 HA LEU A 87 97.950 -9.513 4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.218 -7.642 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.206 -9.392 3.110 1.00 0.00 H new ATOM 0 HG LEU A 87 97.889 -8.200 1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.188 -7.274 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.511 -6.371 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.698 -7.553 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 87 98.688 -9.714 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.196 -9.989 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.644 -10.553 1.502 1.00 0.00 H new ATOM 1436 N CYS A 88 98.238 -8.217 6.469 1.00 0.00 N ATOM 1437 CA CYS A 88 98.759 -8.050 7.855 1.00 0.00 C ATOM 1438 C CYS A 88 98.139 -9.117 8.759 1.00 0.00 C ATOM 1439 O CYS A 88 97.797 -8.861 9.896 1.00 0.00 O ATOM 1440 CB CYS A 88 98.389 -6.660 8.377 1.00 0.00 C ATOM 1441 SG CYS A 88 99.686 -6.069 9.492 1.00 0.00 S ATOM 0 H CYS A 88 97.222 -8.186 6.381 1.00 0.00 H new ATOM 0 HA CYS A 88 99.844 -8.158 7.853 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.267 -5.968 7.544 1.00 0.00 H new ATOM 0 HB3 CYS A 88 97.434 -6.699 8.901 1.00 0.00 H new ATOM 0 HG CYS A 88 100.530 -7.030 9.723 1.00 0.00 H new ATOM 1447 N THR A 89 97.990 -10.313 8.258 1.00 0.00 N ATOM 1448 CA THR A 89 97.390 -11.399 9.082 1.00 0.00 C ATOM 1449 C THR A 89 98.461 -12.437 9.421 1.00 0.00 C ATOM 1450 O THR A 89 98.171 -13.494 9.944 1.00 0.00 O ATOM 1451 CB THR A 89 96.267 -12.074 8.293 1.00 0.00 C ATOM 1452 OG1 THR A 89 96.674 -12.239 6.943 1.00 0.00 O ATOM 1453 CG2 THR A 89 95.012 -11.204 8.347 1.00 0.00 C ATOM 0 H THR A 89 98.258 -10.585 7.312 1.00 0.00 H new ATOM 0 HA THR A 89 96.989 -10.974 10.003 1.00 0.00 H new ATOM 0 HB THR A 89 96.049 -13.049 8.729 1.00 0.00 H new ATOM 0 HG1 THR A 89 95.957 -12.673 6.436 1.00 0.00 H new ATOM 0 HG21 THR A 89 94.212 -11.685 7.785 1.00 0.00 H new ATOM 0 HG22 THR A 89 94.702 -11.077 9.384 1.00 0.00 H new ATOM 0 HG23 THR A 89 95.227 -10.228 7.911 1.00 0.00 H new ATOM 1461 N PHE A 90 99.698 -12.146 9.127 1.00 0.00 N ATOM 1462 CA PHE A 90 100.780 -13.121 9.435 1.00 0.00 C ATOM 1463 C PHE A 90 102.025 -12.373 9.911 1.00 0.00 C ATOM 1464 O PHE A 90 103.116 -12.909 9.917 1.00 0.00 O ATOM 1465 CB PHE A 90 101.111 -13.928 8.176 1.00 0.00 C ATOM 1466 CG PHE A 90 101.730 -13.023 7.137 1.00 0.00 C ATOM 1467 CD1 PHE A 90 100.987 -11.969 6.590 1.00 0.00 C ATOM 1468 CD2 PHE A 90 103.050 -13.241 6.720 1.00 0.00 C ATOM 1469 CE1 PHE A 90 101.565 -11.134 5.623 1.00 0.00 C ATOM 1470 CE2 PHE A 90 103.626 -12.405 5.754 1.00 0.00 C ATOM 1471 CZ PHE A 90 102.883 -11.353 5.207 1.00 0.00 C ATOM 0 H PHE A 90 100.005 -11.278 8.688 1.00 0.00 H new ATOM 0 HA PHE A 90 100.447 -13.798 10.222 1.00 0.00 H new ATOM 0 HB2 PHE A 90 101.798 -14.738 8.422 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.206 -14.387 7.779 1.00 0.00 H new ATOM 0 HD1 PHE A 90 99.970 -11.800 6.913 1.00 0.00 H new ATOM 0 HD2 PHE A 90 103.623 -14.053 7.143 1.00 0.00 H new ATOM 0 HE1 PHE A 90 100.993 -10.322 5.199 1.00 0.00 H new ATOM 0 HE2 PHE A 90 104.643 -12.573 5.432 1.00 0.00 H new ATOM 0 HZ PHE A 90 103.327 -10.709 4.463 1.00 0.00 H new ATOM 1481 N SER A 91 101.871 -11.140 10.316 1.00 0.00 N ATOM 1482 CA SER A 91 103.046 -10.359 10.796 1.00 0.00 C ATOM 1483 C SER A 91 102.707 -8.868 10.792 1.00 0.00 C ATOM 1484 O SER A 91 101.816 -8.425 10.095 1.00 0.00 O ATOM 1485 CB SER A 91 104.239 -10.611 9.871 1.00 0.00 C ATOM 1486 OG SER A 91 103.786 -10.654 8.524 1.00 0.00 O ATOM 0 H SER A 91 100.982 -10.641 10.335 1.00 0.00 H new ATOM 0 HA SER A 91 103.298 -10.671 11.810 1.00 0.00 H new ATOM 0 HB2 SER A 91 104.981 -9.822 9.992 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.726 -11.550 10.134 1.00 0.00 H new ATOM 0 HG SER A 91 103.824 -11.577 8.196 1.00 0.00 H new ATOM 1492 N PHE A 92 103.411 -8.087 11.565 1.00 0.00 N ATOM 1493 CA PHE A 92 103.131 -6.624 11.601 1.00 0.00 C ATOM 1494 C PHE A 92 103.360 -6.039 10.201 1.00 0.00 C ATOM 1495 O PHE A 92 103.821 -6.723 9.310 1.00 0.00 O ATOM 1496 CB PHE A 92 104.065 -5.956 12.620 1.00 0.00 C ATOM 1497 CG PHE A 92 105.429 -5.726 12.009 1.00 0.00 C ATOM 1498 CD1 PHE A 92 106.318 -6.797 11.835 1.00 0.00 C ATOM 1499 CD2 PHE A 92 105.804 -4.439 11.618 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.576 -6.573 11.268 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.062 -4.215 11.052 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.949 -5.282 10.875 1.00 0.00 C ATOM 0 H PHE A 92 104.168 -8.399 12.173 1.00 0.00 H new ATOM 0 HA PHE A 92 102.098 -6.443 11.899 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.640 -5.007 12.945 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.157 -6.584 13.506 1.00 0.00 H new ATOM 0 HD1 PHE A 92 106.031 -7.793 12.139 1.00 0.00 H new ATOM 0 HD2 PHE A 92 105.120 -3.614 11.753 1.00 0.00 H new ATOM 0 HE1 PHE A 92 108.261 -7.397 11.133 1.00 0.00 H new ATOM 0 HE2 PHE A 92 107.349 -3.218 10.751 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.921 -5.110 10.436 1.00 0.00 H new ATOM 1512 N LEU A 93 103.043 -4.789 9.991 1.00 0.00 N ATOM 1513 CA LEU A 93 103.254 -4.205 8.635 1.00 0.00 C ATOM 1514 C LEU A 93 103.294 -2.676 8.700 1.00 0.00 C ATOM 1515 O LEU A 93 102.501 -2.045 9.371 1.00 0.00 O ATOM 1516 CB LEU A 93 102.116 -4.641 7.709 1.00 0.00 C ATOM 1517 CG LEU A 93 102.292 -3.983 6.339 1.00 0.00 C ATOM 1518 CD1 LEU A 93 102.128 -5.035 5.240 1.00 0.00 C ATOM 1519 CD2 LEU A 93 101.235 -2.889 6.161 1.00 0.00 C ATOM 0 H LEU A 93 102.653 -4.155 10.688 1.00 0.00 H new ATOM 0 HA LEU A 93 104.209 -4.563 8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 93 102.113 -5.726 7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.155 -4.359 8.139 1.00 0.00 H new ATOM 0 HG LEU A 93 103.287 -3.543 6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 93 102.254 -4.565 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.880 -5.814 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.134 -5.477 5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 93 101.359 -2.419 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 93 100.240 -3.330 6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 93 101.353 -2.139 6.943 1.00 0.00 H new ATOM 1531 N ILE A 94 104.208 -2.082 7.981 1.00 0.00 N ATOM 1532 CA ILE A 94 104.315 -0.598 7.958 1.00 0.00 C ATOM 1533 C ILE A 94 104.333 -0.145 6.494 1.00 0.00 C ATOM 1534 O ILE A 94 105.329 0.332 5.987 1.00 0.00 O ATOM 1535 CB ILE A 94 105.608 -0.163 8.669 1.00 0.00 C ATOM 1536 CG1 ILE A 94 105.384 -0.182 10.182 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.999 1.256 8.245 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.045 -1.600 10.631 1.00 0.00 C ATOM 0 H ILE A 94 104.892 -2.569 7.402 1.00 0.00 H new ATOM 0 HA ILE A 94 103.470 -0.144 8.475 1.00 0.00 H new ATOM 0 HB ILE A 94 106.407 -0.852 8.396 1.00 0.00 H new ATOM 0 HG12 ILE A 94 106.278 0.169 10.697 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.575 0.498 10.449 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.916 1.549 8.757 1.00 0.00 H new ATOM 0 HG22 ILE A 94 106.161 1.282 7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 94 105.199 1.948 8.509 1.00 0.00 H new ATOM 0 HD11 ILE A 94 104.886 -1.612 11.709 1.00 0.00 H new ATOM 0 HD12 ILE A 94 104.138 -1.934 10.127 1.00 0.00 H new ATOM 0 HD13 ILE A 94 105.868 -2.268 10.378 1.00 0.00 H new ATOM 1550 N CYS A 95 103.236 -0.305 5.808 1.00 0.00 N ATOM 1551 CA CYS A 95 103.189 0.104 4.378 1.00 0.00 C ATOM 1552 C CYS A 95 102.754 1.568 4.286 1.00 0.00 C ATOM 1553 O CYS A 95 101.624 1.906 4.577 1.00 0.00 O ATOM 1554 CB CYS A 95 102.182 -0.771 3.629 1.00 0.00 C ATOM 1555 SG CYS A 95 102.151 -0.293 1.883 1.00 0.00 S ATOM 0 H CYS A 95 102.371 -0.701 6.176 1.00 0.00 H new ATOM 0 HA CYS A 95 104.176 -0.015 3.932 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.455 -1.822 3.725 1.00 0.00 H new ATOM 0 HB3 CYS A 95 101.190 -0.658 4.066 1.00 0.00 H new ATOM 0 HG CYS A 95 101.903 0.979 1.786 1.00 0.00 H new ATOM 1561 N LYS A 96 103.636 2.443 3.887 1.00 0.00 N ATOM 1562 CA LYS A 96 103.258 3.882 3.785 1.00 0.00 C ATOM 1563 C LYS A 96 103.804 4.472 2.485 1.00 0.00 C ATOM 1564 O LYS A 96 104.958 4.295 2.148 1.00 0.00 O ATOM 1565 CB LYS A 96 103.842 4.644 4.975 1.00 0.00 C ATOM 1566 CG LYS A 96 103.072 4.276 6.244 1.00 0.00 C ATOM 1567 CD LYS A 96 102.152 5.433 6.636 1.00 0.00 C ATOM 1568 CE LYS A 96 102.313 5.731 8.127 1.00 0.00 C ATOM 1569 NZ LYS A 96 101.397 4.855 8.909 1.00 0.00 N ATOM 0 H LYS A 96 104.598 2.226 3.628 1.00 0.00 H new ATOM 0 HA LYS A 96 102.172 3.970 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.898 4.400 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 96 103.781 5.718 4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 96 102.486 3.372 6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 96 103.768 4.060 7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 96 102.394 6.319 6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 96 101.115 5.178 6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 96 103.345 5.562 8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 96 102.089 6.779 8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 101.506 5.057 9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 100.414 5.037 8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 101.631 3.858 8.727 1.00 0.00 H new ATOM 1583 N GLY A 97 102.983 5.176 1.753 1.00 0.00 N ATOM 1584 CA GLY A 97 103.451 5.782 0.473 1.00 0.00 C ATOM 1585 C GLY A 97 104.793 6.485 0.694 1.00 0.00 C ATOM 1586 O GLY A 97 105.283 6.577 1.801 1.00 0.00 O ATOM 0 H GLY A 97 102.007 5.358 1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.555 5.010 -0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.713 6.495 0.106 1.00 0.00 H new ATOM 1590 N VAL A 98 105.391 6.981 -0.355 1.00 0.00 N ATOM 1591 CA VAL A 98 106.701 7.674 -0.208 1.00 0.00 C ATOM 1592 C VAL A 98 106.721 8.932 -1.079 1.00 0.00 C ATOM 1593 O VAL A 98 106.307 8.916 -2.221 1.00 0.00 O ATOM 1594 CB VAL A 98 107.823 6.733 -0.650 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.168 7.452 -0.539 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.831 5.496 0.249 1.00 0.00 C ATOM 0 H VAL A 98 105.028 6.936 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 98 106.846 7.956 0.835 1.00 0.00 H new ATOM 0 HB VAL A 98 107.658 6.432 -1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.967 6.780 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.163 8.335 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.335 7.754 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.630 4.824 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 98 107.996 5.799 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 98 106.873 4.982 0.170 1.00 0.00 H new ATOM 1606 N ASN A 99 107.205 10.023 -0.549 1.00 0.00 N ATOM 1607 CA ASN A 99 107.256 11.281 -1.345 1.00 0.00 C ATOM 1608 C ASN A 99 108.603 11.368 -2.063 1.00 0.00 C ATOM 1609 O ASN A 99 108.684 11.766 -3.209 1.00 0.00 O ATOM 1610 CB ASN A 99 107.095 12.482 -0.411 1.00 0.00 C ATOM 1611 CG ASN A 99 105.618 12.654 -0.053 1.00 0.00 C ATOM 1612 OD1 ASN A 99 104.752 12.455 -0.882 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.290 13.016 1.158 1.00 0.00 N ATOM 0 H ASN A 99 107.567 10.096 0.402 1.00 0.00 H new ATOM 0 HA ASN A 99 106.450 11.284 -2.079 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.685 12.335 0.494 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.471 13.384 -0.893 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.308 13.131 1.407 1.00 0.00 H new ATOM 0 HD22 ASN A 99 106.016 13.183 1.855 1.00 0.00 H new ATOM 1620 N LYS A 100 109.664 10.993 -1.400 1.00 0.00 N ATOM 1621 CA LYS A 100 111.006 11.046 -2.044 1.00 0.00 C ATOM 1622 C LYS A 100 111.428 9.631 -2.442 1.00 0.00 C ATOM 1623 O LYS A 100 112.042 8.915 -1.676 1.00 0.00 O ATOM 1624 CB LYS A 100 112.022 11.625 -1.058 1.00 0.00 C ATOM 1625 CG LYS A 100 112.408 13.040 -1.492 1.00 0.00 C ATOM 1626 CD LYS A 100 112.508 13.941 -0.259 1.00 0.00 C ATOM 1627 CE LYS A 100 111.834 15.283 -0.552 1.00 0.00 C ATOM 1628 NZ LYS A 100 111.895 16.144 0.663 1.00 0.00 N ATOM 0 H LYS A 100 109.658 10.652 -0.439 1.00 0.00 H new ATOM 0 HA LYS A 100 110.963 11.678 -2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.599 11.644 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.908 10.991 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 100 113.361 13.023 -2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 100 111.665 13.435 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 100 112.030 13.461 0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 100 113.554 14.097 0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 100 112.331 15.777 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 100 110.797 15.125 -0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 111.437 17.057 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 111.402 15.672 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 112.889 16.305 0.925 1.00 0.00 H new ATOM 1642 N GLU A 101 111.095 9.220 -3.634 1.00 0.00 N ATOM 1643 CA GLU A 101 111.466 7.853 -4.086 1.00 0.00 C ATOM 1644 C GLU A 101 112.987 7.755 -4.230 1.00 0.00 C ATOM 1645 O GLU A 101 113.654 7.111 -3.446 1.00 0.00 O ATOM 1646 CB GLU A 101 110.806 7.576 -5.439 1.00 0.00 C ATOM 1647 CG GLU A 101 109.323 7.956 -5.381 1.00 0.00 C ATOM 1648 CD GLU A 101 108.676 7.683 -6.740 1.00 0.00 C ATOM 1649 OE1 GLU A 101 109.385 7.259 -7.638 1.00 0.00 O ATOM 1650 OE2 GLU A 101 107.482 7.903 -6.859 1.00 0.00 O ATOM 0 H GLU A 101 110.580 9.776 -4.316 1.00 0.00 H new ATOM 0 HA GLU A 101 111.126 7.120 -3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 101 111.307 8.146 -6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 101 110.911 6.522 -5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 101 108.819 7.382 -4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 101 109.216 9.009 -5.119 1.00 0.00 H new ATOM 1657 N TYR A 102 113.535 8.384 -5.232 1.00 0.00 N ATOM 1658 CA TYR A 102 115.010 8.332 -5.443 1.00 0.00 C ATOM 1659 C TYR A 102 115.748 8.432 -4.106 1.00 0.00 C ATOM 1660 O TYR A 102 116.678 7.697 -3.846 1.00 0.00 O ATOM 1661 CB TYR A 102 115.435 9.503 -6.332 1.00 0.00 C ATOM 1662 CG TYR A 102 116.938 9.499 -6.489 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.762 9.870 -5.418 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.508 9.123 -7.712 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.154 9.863 -5.571 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.899 9.118 -7.864 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.722 9.487 -6.794 1.00 0.00 C ATOM 1668 OH TYR A 102 121.094 9.481 -6.944 1.00 0.00 O ATOM 0 H TYR A 102 113.021 8.936 -5.919 1.00 0.00 H new ATOM 0 HA TYR A 102 115.261 7.384 -5.919 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.957 9.424 -7.308 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.107 10.445 -5.892 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.324 10.161 -4.475 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.874 8.837 -8.538 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.789 10.148 -4.745 1.00 0.00 H new ATOM 0 HE2 TYR A 102 119.338 8.829 -8.808 1.00 0.00 H new ATOM 0 HH TYR A 102 121.322 9.194 -7.853 1.00 0.00 H new ATOM 1678 N LEU A 103 115.361 9.354 -3.269 1.00 0.00 N ATOM 1679 CA LEU A 103 116.063 9.517 -1.966 1.00 0.00 C ATOM 1680 C LEU A 103 115.823 8.303 -1.064 1.00 0.00 C ATOM 1681 O LEU A 103 116.717 7.516 -0.828 1.00 0.00 O ATOM 1682 CB LEU A 103 115.541 10.771 -1.266 1.00 0.00 C ATOM 1683 CG LEU A 103 116.672 11.786 -1.099 1.00 0.00 C ATOM 1684 CD1 LEU A 103 116.236 12.867 -0.113 1.00 0.00 C ATOM 1685 CD2 LEU A 103 117.922 11.085 -0.563 1.00 0.00 C ATOM 0 H LEU A 103 114.589 10.001 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 103 117.133 9.607 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.730 11.210 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.130 10.509 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 103 116.899 12.237 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.039 13.593 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 103 115.347 13.370 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 103 116.010 12.411 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.725 11.813 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.699 10.632 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 103 118.234 10.311 -1.264 1.00 0.00 H new ATOM 1697 N MET A 104 114.629 8.165 -0.544 1.00 0.00 N ATOM 1698 CA MET A 104 114.314 7.019 0.366 1.00 0.00 C ATOM 1699 C MET A 104 115.092 5.768 -0.052 1.00 0.00 C ATOM 1700 O MET A 104 115.717 5.116 0.761 1.00 0.00 O ATOM 1701 CB MET A 104 112.814 6.728 0.310 1.00 0.00 C ATOM 1702 CG MET A 104 112.472 5.606 1.291 1.00 0.00 C ATOM 1703 SD MET A 104 111.346 6.237 2.560 1.00 0.00 S ATOM 1704 CE MET A 104 110.984 4.650 3.349 1.00 0.00 C ATOM 0 H MET A 104 113.851 8.803 -0.712 1.00 0.00 H new ATOM 0 HA MET A 104 114.605 7.287 1.382 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.249 7.627 0.559 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.527 6.441 -0.701 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.010 4.773 0.761 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.382 5.224 1.754 1.00 0.00 H new ATOM 0 HE1 MET A 104 109.919 4.433 3.259 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.557 3.862 2.861 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.257 4.697 4.403 1.00 0.00 H new ATOM 1714 N TYR A 105 115.063 5.427 -1.310 1.00 0.00 N ATOM 1715 CA TYR A 105 115.805 4.220 -1.768 1.00 0.00 C ATOM 1716 C TYR A 105 117.309 4.447 -1.594 1.00 0.00 C ATOM 1717 O TYR A 105 118.015 3.611 -1.067 1.00 0.00 O ATOM 1718 CB TYR A 105 115.492 3.955 -3.244 1.00 0.00 C ATOM 1719 CG TYR A 105 116.482 2.958 -3.797 1.00 0.00 C ATOM 1720 CD1 TYR A 105 116.243 1.584 -3.666 1.00 0.00 C ATOM 1721 CD2 TYR A 105 117.646 3.408 -4.433 1.00 0.00 C ATOM 1722 CE1 TYR A 105 117.167 0.664 -4.171 1.00 0.00 C ATOM 1723 CE2 TYR A 105 118.568 2.487 -4.937 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.330 1.114 -4.806 1.00 0.00 C ATOM 1725 OH TYR A 105 119.240 0.205 -5.304 1.00 0.00 O ATOM 0 H TYR A 105 114.559 5.931 -2.039 1.00 0.00 H new ATOM 0 HA TYR A 105 115.499 3.359 -1.174 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.477 3.572 -3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.542 4.885 -3.810 1.00 0.00 H new ATOM 0 HD1 TYR A 105 115.346 1.236 -3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 105 117.831 4.467 -4.534 1.00 0.00 H new ATOM 0 HE1 TYR A 105 116.983 -0.395 -4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 105 119.465 2.835 -5.428 1.00 0.00 H new ATOM 0 HH TYR A 105 119.990 0.684 -5.715 1.00 0.00 H new ATOM 1735 N SER A 106 117.808 5.571 -2.035 1.00 0.00 N ATOM 1736 CA SER A 106 119.267 5.844 -1.895 1.00 0.00 C ATOM 1737 C SER A 106 119.691 5.622 -0.441 1.00 0.00 C ATOM 1738 O SER A 106 120.514 4.778 -0.146 1.00 0.00 O ATOM 1739 CB SER A 106 119.556 7.292 -2.301 1.00 0.00 C ATOM 1740 OG SER A 106 119.711 8.091 -1.135 1.00 0.00 O ATOM 0 H SER A 106 117.269 6.311 -2.485 1.00 0.00 H new ATOM 0 HA SER A 106 119.828 5.169 -2.541 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.460 7.337 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 106 118.741 7.678 -2.914 1.00 0.00 H new ATOM 0 HG SER A 106 120.052 8.974 -1.387 1.00 0.00 H new ATOM 1746 N ALA A 107 119.133 6.369 0.470 1.00 0.00 N ATOM 1747 CA ALA A 107 119.502 6.198 1.902 1.00 0.00 C ATOM 1748 C ALA A 107 119.225 4.753 2.326 1.00 0.00 C ATOM 1749 O ALA A 107 119.775 4.262 3.291 1.00 0.00 O ATOM 1750 CB ALA A 107 118.671 7.155 2.761 1.00 0.00 C ATOM 0 H ALA A 107 118.437 7.091 0.284 1.00 0.00 H new ATOM 0 HA ALA A 107 120.561 6.420 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.941 7.030 3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.868 8.183 2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.612 6.935 2.630 1.00 0.00 H new ATOM 1756 N LEU A 108 118.371 4.071 1.610 1.00 0.00 N ATOM 1757 CA LEU A 108 118.055 2.659 1.970 1.00 0.00 C ATOM 1758 C LEU A 108 119.222 1.749 1.576 1.00 0.00 C ATOM 1759 O LEU A 108 119.504 0.768 2.233 1.00 0.00 O ATOM 1760 CB LEU A 108 116.793 2.212 1.225 1.00 0.00 C ATOM 1761 CG LEU A 108 115.579 2.341 2.146 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.345 1.766 1.449 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.837 1.567 3.442 1.00 0.00 C ATOM 0 H LEU A 108 117.879 4.431 0.792 1.00 0.00 H new ATOM 0 HA LEU A 108 117.891 2.592 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.651 2.821 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 108 116.902 1.180 0.893 1.00 0.00 H new ATOM 0 HG LEU A 108 115.410 3.393 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.480 1.858 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.160 2.315 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.515 0.714 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 108 114.972 1.659 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 108 116.007 0.516 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.716 1.975 3.941 1.00 0.00 H new ATOM 1775 N THR A 109 119.901 2.065 0.507 1.00 0.00 N ATOM 1776 CA THR A 109 121.046 1.215 0.072 1.00 0.00 C ATOM 1777 C THR A 109 122.277 1.552 0.914 1.00 0.00 C ATOM 1778 O THR A 109 123.178 0.749 1.060 1.00 0.00 O ATOM 1779 CB THR A 109 121.346 1.483 -1.403 1.00 0.00 C ATOM 1780 OG1 THR A 109 121.956 2.760 -1.536 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.044 1.450 -2.204 1.00 0.00 C ATOM 0 H THR A 109 119.713 2.875 -0.084 1.00 0.00 H new ATOM 0 HA THR A 109 120.792 0.163 0.205 1.00 0.00 H new ATOM 0 HB THR A 109 122.022 0.717 -1.782 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.439 3.423 -1.033 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.259 1.641 -3.255 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.578 0.470 -2.101 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.366 2.215 -1.827 1.00 0.00 H new ATOM 1789 N ARG A 110 122.323 2.730 1.470 1.00 0.00 N ATOM 1790 CA ARG A 110 123.495 3.113 2.303 1.00 0.00 C ATOM 1791 C ARG A 110 123.245 2.688 3.751 1.00 0.00 C ATOM 1792 O ARG A 110 122.164 2.860 4.279 1.00 0.00 O ATOM 1793 CB ARG A 110 123.692 4.630 2.244 1.00 0.00 C ATOM 1794 CG ARG A 110 124.238 5.020 0.868 1.00 0.00 C ATOM 1795 CD ARG A 110 125.684 5.501 1.010 1.00 0.00 C ATOM 1796 NE ARG A 110 125.693 6.897 1.527 1.00 0.00 N ATOM 1797 CZ ARG A 110 126.826 7.492 1.781 1.00 0.00 C ATOM 1798 NH1 ARG A 110 127.603 7.039 2.727 1.00 0.00 N ATOM 1799 NH2 ARG A 110 127.183 8.541 1.091 1.00 0.00 N ATOM 0 H ARG A 110 121.599 3.444 1.383 1.00 0.00 H new ATOM 0 HA ARG A 110 124.389 2.618 1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 110 122.745 5.138 2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 110 124.383 4.949 3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 110 124.192 4.166 0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 110 123.623 5.807 0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 110 126.231 4.847 1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 110 126.190 5.455 0.046 1.00 0.00 H new ATOM 0 HE ARG A 110 124.813 7.389 1.683 1.00 0.00 H new ATOM 0 HH11 ARG A 110 127.324 6.220 3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 110 128.489 7.504 2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 110 126.576 8.896 0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 110 128.069 9.005 1.291 1.00 0.00 H new ATOM 1813 N ASP A 111 124.234 2.130 4.395 1.00 0.00 N ATOM 1814 CA ASP A 111 124.052 1.692 5.809 1.00 0.00 C ATOM 1815 C ASP A 111 123.282 2.768 6.580 1.00 0.00 C ATOM 1816 O ASP A 111 123.274 3.919 6.191 1.00 0.00 O ATOM 1817 CB ASP A 111 125.423 1.485 6.456 1.00 0.00 C ATOM 1818 CG ASP A 111 126.261 2.754 6.291 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.840 3.625 5.548 1.00 0.00 O ATOM 1820 OD2 ASP A 111 127.309 2.833 6.910 1.00 0.00 O ATOM 0 H ASP A 111 125.160 1.958 4.003 1.00 0.00 H new ATOM 0 HA ASP A 111 123.492 0.757 5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 111 125.306 1.248 7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.931 0.638 5.994 1.00 0.00 H new ATOM 1825 N PRO A 112 122.656 2.359 7.654 1.00 0.00 N ATOM 1826 CA PRO A 112 122.672 0.958 8.117 1.00 0.00 C ATOM 1827 C PRO A 112 121.672 0.115 7.316 1.00 0.00 C ATOM 1828 O PRO A 112 121.400 -1.021 7.648 1.00 0.00 O ATOM 1829 CB PRO A 112 122.237 1.064 9.582 1.00 0.00 C ATOM 1830 CG PRO A 112 121.460 2.396 9.713 1.00 0.00 C ATOM 1831 CD PRO A 112 121.876 3.270 8.513 1.00 0.00 C ATOM 0 HA PRO A 112 123.642 0.477 7.994 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.608 0.219 9.862 1.00 0.00 H new ATOM 0 HB3 PRO A 112 123.102 1.052 10.246 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.384 2.219 9.709 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.698 2.892 10.654 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.006 3.665 7.988 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.472 4.125 8.831 1.00 0.00 H new ATOM 1839 N PHE A 113 121.120 0.664 6.268 1.00 0.00 N ATOM 1840 CA PHE A 113 120.136 -0.108 5.456 1.00 0.00 C ATOM 1841 C PHE A 113 120.873 -0.912 4.384 1.00 0.00 C ATOM 1842 O PHE A 113 121.505 -0.362 3.504 1.00 0.00 O ATOM 1843 CB PHE A 113 119.155 0.863 4.799 1.00 0.00 C ATOM 1844 CG PHE A 113 118.411 1.604 5.881 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.738 0.887 6.874 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.408 3.003 5.905 1.00 0.00 C ATOM 1847 CE1 PHE A 113 117.059 1.562 7.889 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.727 3.683 6.919 1.00 0.00 C ATOM 1849 CZ PHE A 113 117.052 2.962 7.914 1.00 0.00 C ATOM 0 H PHE A 113 121.307 1.611 5.939 1.00 0.00 H new ATOM 0 HA PHE A 113 119.587 -0.796 6.099 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.690 1.565 4.159 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.456 0.321 4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.743 -0.193 6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 113 118.932 3.557 5.140 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.539 1.005 8.655 1.00 0.00 H new ATOM 0 HE2 PHE A 113 117.721 4.763 6.936 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.527 3.486 8.699 1.00 0.00 H new ATOM 1859 N SER A 114 120.798 -2.213 4.456 1.00 0.00 N ATOM 1860 CA SER A 114 121.496 -3.057 3.446 1.00 0.00 C ATOM 1861 C SER A 114 120.556 -3.332 2.272 1.00 0.00 C ATOM 1862 O SER A 114 119.409 -2.935 2.278 1.00 0.00 O ATOM 1863 CB SER A 114 121.909 -4.381 4.089 1.00 0.00 C ATOM 1864 OG SER A 114 122.958 -4.966 3.329 1.00 0.00 O ATOM 0 H SER A 114 120.283 -2.728 5.171 1.00 0.00 H new ATOM 0 HA SER A 114 122.382 -2.535 3.086 1.00 0.00 H new ATOM 0 HB2 SER A 114 122.238 -4.213 5.115 1.00 0.00 H new ATOM 0 HB3 SER A 114 121.056 -5.058 4.134 1.00 0.00 H new ATOM 0 HG SER A 114 123.226 -5.814 3.740 1.00 0.00 H new ATOM 1870 N VAL A 115 121.033 -4.009 1.264 1.00 0.00 N ATOM 1871 CA VAL A 115 120.165 -4.311 0.091 1.00 0.00 C ATOM 1872 C VAL A 115 120.116 -5.825 -0.125 1.00 0.00 C ATOM 1873 O VAL A 115 121.132 -6.471 -0.292 1.00 0.00 O ATOM 1874 CB VAL A 115 120.735 -3.633 -1.156 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.789 -3.857 -2.336 1.00 0.00 C ATOM 1876 CG2 VAL A 115 120.880 -2.132 -0.900 1.00 0.00 C ATOM 0 H VAL A 115 121.986 -4.366 1.202 1.00 0.00 H new ATOM 0 HA VAL A 115 119.158 -3.936 0.276 1.00 0.00 H new ATOM 0 HB VAL A 115 121.711 -4.059 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.195 -3.374 -3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.684 -4.926 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.813 -3.431 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.286 -1.649 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 115 119.903 -1.706 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.554 -1.970 -0.059 1.00 0.00 H new ATOM 1886 N ILE A 116 118.942 -6.396 -0.119 1.00 0.00 N ATOM 1887 CA ILE A 116 118.830 -7.869 -0.319 1.00 0.00 C ATOM 1888 C ILE A 116 118.806 -8.188 -1.815 1.00 0.00 C ATOM 1889 O ILE A 116 119.723 -8.785 -2.345 1.00 0.00 O ATOM 1890 CB ILE A 116 117.539 -8.373 0.328 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.333 -7.661 1.665 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.641 -9.881 0.567 1.00 0.00 C ATOM 1893 CD1 ILE A 116 118.528 -7.936 2.581 1.00 0.00 C ATOM 0 H ILE A 116 118.057 -5.907 0.016 1.00 0.00 H new ATOM 0 HA ILE A 116 119.687 -8.361 0.141 1.00 0.00 H new ATOM 0 HB ILE A 116 116.696 -8.166 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 116 117.224 -6.588 1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 116 116.413 -8.008 2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.721 -10.239 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.793 -10.391 -0.384 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.483 -10.089 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 116 118.380 -7.428 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 116 118.616 -9.009 2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 116 119.439 -7.567 2.111 1.00 0.00 H new ATOM 1905 N GLU A 117 117.765 -7.800 -2.502 1.00 0.00 N ATOM 1906 CA GLU A 117 117.696 -8.093 -3.962 1.00 0.00 C ATOM 1907 C GLU A 117 116.689 -7.157 -4.633 1.00 0.00 C ATOM 1908 O GLU A 117 115.594 -6.955 -4.146 1.00 0.00 O ATOM 1909 CB GLU A 117 117.254 -9.543 -4.169 1.00 0.00 C ATOM 1910 CG GLU A 117 115.863 -9.746 -3.564 1.00 0.00 C ATOM 1911 CD GLU A 117 114.842 -9.947 -4.686 1.00 0.00 C ATOM 1912 OE1 GLU A 117 115.256 -10.270 -5.786 1.00 0.00 O ATOM 1913 OE2 GLU A 117 113.662 -9.776 -4.424 1.00 0.00 O ATOM 0 H GLU A 117 116.965 -7.297 -2.119 1.00 0.00 H new ATOM 0 HA GLU A 117 118.680 -7.941 -4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 117 117.237 -9.781 -5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 117 117.968 -10.222 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 117 115.866 -10.611 -2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 117 115.589 -8.882 -2.959 1.00 0.00 H new ATOM 1920 N GLU A 118 117.051 -6.586 -5.750 1.00 0.00 N ATOM 1921 CA GLU A 118 116.113 -5.666 -6.453 1.00 0.00 C ATOM 1922 C GLU A 118 115.874 -6.170 -7.877 1.00 0.00 C ATOM 1923 O GLU A 118 116.663 -6.913 -8.425 1.00 0.00 O ATOM 1924 CB GLU A 118 116.718 -4.261 -6.504 1.00 0.00 C ATOM 1925 CG GLU A 118 117.324 -3.914 -5.143 1.00 0.00 C ATOM 1926 CD GLU A 118 118.765 -4.421 -5.079 1.00 0.00 C ATOM 1927 OE1 GLU A 118 119.594 -3.884 -5.795 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.016 -5.339 -4.314 1.00 0.00 O ATOM 0 H GLU A 118 117.954 -6.717 -6.205 1.00 0.00 H new ATOM 0 HA GLU A 118 115.165 -5.634 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 118 117.484 -4.212 -7.278 1.00 0.00 H new ATOM 0 HB3 GLU A 118 115.951 -3.533 -6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 118 117.300 -2.835 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 118 116.734 -4.364 -4.345 1.00 0.00 H new ATOM 1935 N SER A 119 114.788 -5.771 -8.481 1.00 0.00 N ATOM 1936 CA SER A 119 114.498 -6.227 -9.870 1.00 0.00 C ATOM 1937 C SER A 119 115.361 -5.436 -10.855 1.00 0.00 C ATOM 1938 O SER A 119 115.633 -5.879 -11.953 1.00 0.00 O ATOM 1939 CB SER A 119 113.021 -5.992 -10.185 1.00 0.00 C ATOM 1940 OG SER A 119 112.644 -4.698 -9.732 1.00 0.00 O ATOM 0 H SER A 119 114.090 -5.150 -8.073 1.00 0.00 H new ATOM 0 HA SER A 119 114.724 -7.290 -9.959 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.848 -6.079 -11.258 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.408 -6.752 -9.700 1.00 0.00 H new ATOM 0 HG SER A 119 112.049 -4.282 -10.390 1.00 0.00 H new ATOM 1946 N LEU A 120 115.794 -4.265 -10.470 1.00 0.00 N ATOM 1947 CA LEU A 120 116.640 -3.447 -11.384 1.00 0.00 C ATOM 1948 C LEU A 120 118.091 -3.468 -10.891 1.00 0.00 C ATOM 1949 O LEU A 120 118.338 -3.412 -9.702 1.00 0.00 O ATOM 1950 CB LEU A 120 116.129 -2.005 -11.394 1.00 0.00 C ATOM 1951 CG LEU A 120 114.897 -1.905 -12.294 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.430 -0.449 -12.360 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.253 -2.389 -13.700 1.00 0.00 C ATOM 0 H LEU A 120 115.598 -3.841 -9.563 1.00 0.00 H new ATOM 0 HA LEU A 120 116.591 -3.859 -12.392 1.00 0.00 H new ATOM 0 HB2 LEU A 120 115.879 -1.690 -10.381 1.00 0.00 H new ATOM 0 HB3 LEU A 120 116.910 -1.334 -11.753 1.00 0.00 H new ATOM 0 HG LEU A 120 114.098 -2.525 -11.887 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.552 -0.377 -13.002 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.177 -0.102 -11.358 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.228 0.171 -12.767 1.00 0.00 H new ATOM 0 HD21 LEU A 120 114.375 -2.318 -14.342 1.00 0.00 H new ATOM 0 HD22 LEU A 120 116.052 -1.769 -14.107 1.00 0.00 H new ATOM 0 HD23 LEU A 120 115.586 -3.426 -13.654 1.00 0.00 H new ATOM 1965 N PRO A 121 119.011 -3.546 -11.821 1.00 0.00 N ATOM 1966 CA PRO A 121 120.450 -3.575 -11.511 1.00 0.00 C ATOM 1967 C PRO A 121 120.961 -2.162 -11.217 1.00 0.00 C ATOM 1968 O PRO A 121 121.887 -1.972 -10.455 1.00 0.00 O ATOM 1969 CB PRO A 121 121.081 -4.123 -12.793 1.00 0.00 C ATOM 1970 CG PRO A 121 120.073 -3.839 -13.932 1.00 0.00 C ATOM 1971 CD PRO A 121 118.702 -3.617 -13.264 1.00 0.00 C ATOM 0 HA PRO A 121 120.687 -4.175 -10.632 1.00 0.00 H new ATOM 0 HB2 PRO A 121 122.038 -3.640 -12.992 1.00 0.00 H new ATOM 0 HB3 PRO A 121 121.275 -5.192 -12.704 1.00 0.00 H new ATOM 0 HG2 PRO A 121 120.372 -2.960 -14.503 1.00 0.00 H new ATOM 0 HG3 PRO A 121 120.033 -4.675 -14.630 1.00 0.00 H new ATOM 0 HD2 PRO A 121 118.231 -2.699 -13.616 1.00 0.00 H new ATOM 0 HD3 PRO A 121 118.014 -4.433 -13.485 1.00 0.00 H new ATOM 1979 N GLY A 122 120.365 -1.171 -11.821 1.00 0.00 N ATOM 1980 CA GLY A 122 120.815 0.229 -11.582 1.00 0.00 C ATOM 1981 C GLY A 122 120.100 0.797 -10.355 1.00 0.00 C ATOM 1982 O GLY A 122 120.662 1.557 -9.593 1.00 0.00 O ATOM 0 H GLY A 122 119.585 -1.271 -12.470 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.894 0.254 -11.430 1.00 0.00 H new ATOM 0 HA3 GLY A 122 120.602 0.844 -12.456 1.00 0.00 H new ATOM 1986 N GLY A 123 118.862 0.434 -10.158 1.00 0.00 N ATOM 1987 CA GLY A 123 118.112 0.953 -8.979 1.00 0.00 C ATOM 1988 C GLY A 123 117.272 2.162 -9.398 1.00 0.00 C ATOM 1989 O GLY A 123 116.879 2.290 -10.541 1.00 0.00 O ATOM 0 H GLY A 123 118.338 -0.199 -10.762 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.468 0.173 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.807 1.236 -8.189 1.00 0.00 H new ATOM 1993 N LEU A 124 116.993 3.048 -8.482 1.00 0.00 N ATOM 1994 CA LEU A 124 116.176 4.248 -8.827 1.00 0.00 C ATOM 1995 C LEU A 124 117.084 5.342 -9.396 1.00 0.00 C ATOM 1996 O LEU A 124 117.782 6.021 -8.671 1.00 0.00 O ATOM 1997 CB LEU A 124 115.476 4.768 -7.568 1.00 0.00 C ATOM 1998 CG LEU A 124 114.423 3.756 -7.101 1.00 0.00 C ATOM 1999 CD1 LEU A 124 113.493 4.422 -6.087 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.602 3.277 -8.301 1.00 0.00 C ATOM 0 H LEU A 124 117.295 2.994 -7.509 1.00 0.00 H new ATOM 0 HA LEU A 124 115.429 3.975 -9.572 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.208 4.936 -6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 124 115.004 5.728 -7.774 1.00 0.00 H new ATOM 0 HG LEU A 124 114.921 2.904 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 124 112.744 3.704 -5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.074 4.764 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 124 112.997 5.274 -6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.854 2.558 -7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 124 113.104 4.129 -8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 124 114.262 2.803 -9.027 1.00 0.00 H new ATOM 2012 N LYS A 125 117.078 5.519 -10.691 1.00 0.00 N ATOM 2013 CA LYS A 125 117.939 6.570 -11.304 1.00 0.00 C ATOM 2014 C LYS A 125 117.098 7.431 -12.256 1.00 0.00 C ATOM 2015 O LYS A 125 116.393 8.325 -11.833 1.00 0.00 O ATOM 2016 CB LYS A 125 119.084 5.905 -12.074 1.00 0.00 C ATOM 2017 CG LYS A 125 119.921 6.975 -12.782 1.00 0.00 C ATOM 2018 CD LYS A 125 120.345 8.047 -11.777 1.00 0.00 C ATOM 2019 CE LYS A 125 119.335 9.196 -11.795 1.00 0.00 C ATOM 2020 NZ LYS A 125 120.061 10.498 -11.798 1.00 0.00 N ATOM 0 H LYS A 125 116.514 4.981 -11.349 1.00 0.00 H new ATOM 0 HA LYS A 125 118.355 7.205 -10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 125 119.711 5.333 -11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 125 118.684 5.201 -12.804 1.00 0.00 H new ATOM 0 HG2 LYS A 125 120.801 6.520 -13.236 1.00 0.00 H new ATOM 0 HG3 LYS A 125 119.344 7.427 -13.589 1.00 0.00 H new ATOM 0 HD2 LYS A 125 120.405 7.618 -10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 125 121.339 8.419 -12.025 1.00 0.00 H new ATOM 0 HE2 LYS A 125 118.699 9.121 -12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 125 118.682 9.134 -10.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 119.374 11.279 -11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 120.650 10.569 -10.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 120.666 10.556 -12.642 1.00 0.00 H new ATOM 2034 N GLU A 126 117.167 7.176 -13.537 1.00 0.00 N ATOM 2035 CA GLU A 126 116.373 7.988 -14.503 1.00 0.00 C ATOM 2036 C GLU A 126 115.008 7.334 -14.726 1.00 0.00 C ATOM 2037 O GLU A 126 114.561 7.179 -15.845 1.00 0.00 O ATOM 2038 CB GLU A 126 117.122 8.068 -15.835 1.00 0.00 C ATOM 2039 CG GLU A 126 117.414 6.654 -16.341 1.00 0.00 C ATOM 2040 CD GLU A 126 117.038 6.555 -17.821 1.00 0.00 C ATOM 2041 OE1 GLU A 126 116.008 7.097 -18.188 1.00 0.00 O ATOM 2042 OE2 GLU A 126 117.786 5.939 -18.562 1.00 0.00 O ATOM 0 H GLU A 126 117.738 6.441 -13.954 1.00 0.00 H new ATOM 0 HA GLU A 126 116.231 8.991 -14.101 1.00 0.00 H new ATOM 0 HB2 GLU A 126 116.526 8.612 -16.568 1.00 0.00 H new ATOM 0 HB3 GLU A 126 118.053 8.620 -15.708 1.00 0.00 H new ATOM 0 HG2 GLU A 126 118.470 6.419 -16.206 1.00 0.00 H new ATOM 0 HG3 GLU A 126 116.848 5.925 -15.761 1.00 0.00 H new ATOM 2049 N HIS A 127 114.341 6.948 -13.674 1.00 0.00 N ATOM 2050 CA HIS A 127 113.007 6.303 -13.839 1.00 0.00 C ATOM 2051 C HIS A 127 111.916 7.375 -13.819 1.00 0.00 C ATOM 2052 O HIS A 127 111.481 7.847 -14.850 1.00 0.00 O ATOM 2053 CB HIS A 127 112.771 5.310 -12.701 1.00 0.00 C ATOM 2054 CG HIS A 127 113.781 4.196 -12.785 1.00 0.00 C ATOM 2055 ND1 HIS A 127 115.142 4.435 -12.888 1.00 0.00 N ATOM 2056 CD2 HIS A 127 113.641 2.830 -12.779 1.00 0.00 C ATOM 2057 CE1 HIS A 127 115.761 3.242 -12.939 1.00 0.00 C ATOM 2058 NE2 HIS A 127 114.893 2.230 -12.877 1.00 0.00 N ATOM 0 H HIS A 127 114.660 7.050 -12.710 1.00 0.00 H new ATOM 0 HA HIS A 127 112.977 5.773 -14.791 1.00 0.00 H new ATOM 0 HB2 HIS A 127 112.853 5.817 -11.740 1.00 0.00 H new ATOM 0 HB3 HIS A 127 111.761 4.904 -12.762 1.00 0.00 H new ATOM 0 HD1 HIS A 127 115.593 5.350 -12.919 1.00 0.00 H new ATOM 0 HD2 HIS A 127 112.702 2.301 -12.709 1.00 0.00 H new ATOM 0 HE1 HIS A 127 116.831 3.118 -13.020 1.00 0.00 H new ATOM 2066 N ASP A 128 111.462 7.761 -12.656 1.00 0.00 N ATOM 2067 CA ASP A 128 110.394 8.799 -12.593 1.00 0.00 C ATOM 2068 C ASP A 128 110.354 9.442 -11.205 1.00 0.00 C ATOM 2069 O ASP A 128 109.358 9.374 -10.513 1.00 0.00 O ATOM 2070 CB ASP A 128 109.041 8.148 -12.881 1.00 0.00 C ATOM 2071 CG ASP A 128 108.049 9.216 -13.345 1.00 0.00 C ATOM 2072 OD1 ASP A 128 108.128 10.327 -12.848 1.00 0.00 O ATOM 2073 OD2 ASP A 128 107.227 8.904 -14.190 1.00 0.00 O ATOM 0 H ASP A 128 111.782 7.406 -11.755 1.00 0.00 H new ATOM 0 HA ASP A 128 110.607 9.569 -13.335 1.00 0.00 H new ATOM 0 HB2 ASP A 128 109.150 7.381 -13.647 1.00 0.00 H new ATOM 0 HB3 ASP A 128 108.666 7.653 -11.985 1.00 0.00 H new ATOM 2078 N PHE A 129 111.417 10.076 -10.790 1.00 0.00 N ATOM 2079 CA PHE A 129 111.408 10.726 -9.451 1.00 0.00 C ATOM 2080 C PHE A 129 111.361 12.248 -9.621 1.00 0.00 C ATOM 2081 O PHE A 129 110.331 12.867 -9.444 1.00 0.00 O ATOM 2082 CB PHE A 129 112.660 10.326 -8.665 1.00 0.00 C ATOM 2083 CG PHE A 129 113.085 8.928 -9.049 1.00 0.00 C ATOM 2084 CD1 PHE A 129 112.169 7.868 -8.988 1.00 0.00 C ATOM 2085 CD2 PHE A 129 114.403 8.691 -9.454 1.00 0.00 C ATOM 2086 CE1 PHE A 129 112.576 6.576 -9.334 1.00 0.00 C ATOM 2087 CE2 PHE A 129 114.807 7.400 -9.801 1.00 0.00 C ATOM 2088 CZ PHE A 129 113.895 6.341 -9.741 1.00 0.00 C ATOM 0 H PHE A 129 112.285 10.171 -11.317 1.00 0.00 H new ATOM 0 HA PHE A 129 110.527 10.398 -8.899 1.00 0.00 H new ATOM 0 HB2 PHE A 129 113.467 11.029 -8.868 1.00 0.00 H new ATOM 0 HB3 PHE A 129 112.458 10.373 -7.595 1.00 0.00 H new ATOM 0 HD1 PHE A 129 111.152 8.049 -8.674 1.00 0.00 H new ATOM 0 HD2 PHE A 129 115.109 9.507 -9.498 1.00 0.00 H new ATOM 0 HE1 PHE A 129 111.872 5.758 -9.287 1.00 0.00 H new ATOM 0 HE2 PHE A 129 115.824 7.219 -10.116 1.00 0.00 H new ATOM 0 HZ PHE A 129 114.208 5.343 -10.008 1.00 0.00 H new ATOM 2098 N ASN A 130 112.464 12.857 -9.957 1.00 0.00 N ATOM 2099 CA ASN A 130 112.473 14.339 -10.128 1.00 0.00 C ATOM 2100 C ASN A 130 112.165 14.716 -11.584 1.00 0.00 C ATOM 2101 O ASN A 130 111.273 15.502 -11.837 1.00 0.00 O ATOM 2102 CB ASN A 130 113.844 14.895 -9.736 1.00 0.00 C ATOM 2103 CG ASN A 130 113.730 15.645 -8.407 1.00 0.00 C ATOM 2104 OD1 ASN A 130 113.407 16.815 -8.383 1.00 0.00 O ATOM 2105 ND2 ASN A 130 113.983 15.015 -7.293 1.00 0.00 N ATOM 0 H ASN A 130 113.358 12.395 -10.121 1.00 0.00 H new ATOM 0 HA ASN A 130 111.705 14.768 -9.484 1.00 0.00 H new ATOM 0 HB2 ASN A 130 114.566 14.083 -9.647 1.00 0.00 H new ATOM 0 HB3 ASN A 130 114.212 15.565 -10.513 1.00 0.00 H new ATOM 0 HD21 ASN A 130 113.909 15.505 -6.402 1.00 0.00 H new ATOM 0 HD22 ASN A 130 114.254 14.032 -7.313 1.00 0.00 H new ATOM 2112 N PRO A 131 112.917 14.158 -12.500 1.00 0.00 N ATOM 2113 CA PRO A 131 112.750 14.437 -13.938 1.00 0.00 C ATOM 2114 C PRO A 131 111.589 13.619 -14.515 1.00 0.00 C ATOM 2115 O PRO A 131 110.928 12.879 -13.815 1.00 0.00 O ATOM 2116 CB PRO A 131 114.082 13.992 -14.544 1.00 0.00 C ATOM 2117 CG PRO A 131 114.701 12.980 -13.550 1.00 0.00 C ATOM 2118 CD PRO A 131 114.000 13.203 -12.196 1.00 0.00 C ATOM 0 HA PRO A 131 112.516 15.481 -14.147 1.00 0.00 H new ATOM 0 HB2 PRO A 131 113.930 13.533 -15.521 1.00 0.00 H new ATOM 0 HB3 PRO A 131 114.745 14.845 -14.693 1.00 0.00 H new ATOM 0 HG2 PRO A 131 114.555 11.957 -13.898 1.00 0.00 H new ATOM 0 HG3 PRO A 131 115.776 13.135 -13.459 1.00 0.00 H new ATOM 0 HD2 PRO A 131 113.606 12.270 -11.793 1.00 0.00 H new ATOM 0 HD3 PRO A 131 114.688 13.605 -11.453 1.00 0.00 H new ATOM 2126 N GLU A 132 111.340 13.751 -15.789 1.00 0.00 N ATOM 2127 CA GLU A 132 110.227 12.985 -16.417 1.00 0.00 C ATOM 2128 C GLU A 132 110.558 12.730 -17.889 1.00 0.00 C ATOM 2129 O GLU A 132 111.463 13.321 -18.442 1.00 0.00 O ATOM 2130 CB GLU A 132 108.931 13.792 -16.318 1.00 0.00 C ATOM 2131 CG GLU A 132 109.202 15.245 -16.713 1.00 0.00 C ATOM 2132 CD GLU A 132 109.447 15.326 -18.221 1.00 0.00 C ATOM 2133 OE1 GLU A 132 108.496 15.162 -18.965 1.00 0.00 O ATOM 2134 OE2 GLU A 132 110.583 15.552 -18.604 1.00 0.00 O ATOM 0 H GLU A 132 111.860 14.357 -16.423 1.00 0.00 H new ATOM 0 HA GLU A 132 110.101 12.034 -15.900 1.00 0.00 H new ATOM 0 HB2 GLU A 132 108.172 13.362 -16.971 1.00 0.00 H new ATOM 0 HB3 GLU A 132 108.539 13.747 -15.302 1.00 0.00 H new ATOM 0 HG2 GLU A 132 108.354 15.872 -16.437 1.00 0.00 H new ATOM 0 HG3 GLU A 132 110.069 15.625 -16.172 1.00 0.00 H new ATOM 2141 N SER A 133 109.834 11.852 -18.528 1.00 0.00 N ATOM 2142 CA SER A 133 110.114 11.563 -19.962 1.00 0.00 C ATOM 2143 C SER A 133 108.796 11.504 -20.739 1.00 0.00 C ATOM 2144 O SER A 133 107.736 11.756 -20.202 1.00 0.00 O ATOM 2145 CB SER A 133 110.836 10.221 -20.080 1.00 0.00 C ATOM 2146 OG SER A 133 112.048 10.274 -19.338 1.00 0.00 O ATOM 0 H SER A 133 109.063 11.324 -18.120 1.00 0.00 H new ATOM 0 HA SER A 133 110.743 12.352 -20.375 1.00 0.00 H new ATOM 0 HB2 SER A 133 110.201 9.419 -19.705 1.00 0.00 H new ATOM 0 HB3 SER A 133 111.046 9.998 -21.126 1.00 0.00 H new ATOM 0 HG SER A 133 112.513 9.415 -19.410 1.00 0.00 H new ATOM 2152 N SER A 134 108.856 11.174 -22.000 1.00 0.00 N ATOM 2153 CA SER A 134 107.608 11.098 -22.811 1.00 0.00 C ATOM 2154 C SER A 134 107.215 9.633 -23.005 1.00 0.00 C ATOM 2155 O SER A 134 107.522 9.092 -24.055 1.00 0.00 O ATOM 2156 CB SER A 134 107.847 11.749 -24.175 1.00 0.00 C ATOM 2157 OG SER A 134 107.083 12.943 -24.266 1.00 0.00 O ATOM 2158 OXT SER A 134 106.614 9.076 -22.102 1.00 0.00 O ATOM 0 H SER A 134 109.715 10.954 -22.504 1.00 0.00 H new ATOM 0 HA SER A 134 106.805 11.623 -22.294 1.00 0.00 H new ATOM 0 HB2 SER A 134 108.906 11.971 -24.304 1.00 0.00 H new ATOM 0 HB3 SER A 134 107.566 11.062 -24.973 1.00 0.00 H new ATOM 0 HG SER A 134 107.235 13.363 -25.138 1.00 0.00 H new TER 2164 SER A 134