USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 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 NoAdj-H: A 70 TRP H : A 70 TRP N : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 71 GLU H : A 71 GLU N : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZA : A 138 RCY C1Z : A 60 CYS C :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 60 CYS CB :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 160 RCY C1S :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1MA : A 138 RCY C1M : A 60 CYS N :(H bumps) USER MOD NoAdj-H: A 138 RCY H1U : A 138 RCY C1U : A 60 CYS N :(H bumps) USER MOD NoAdj-H: A 138 RCY H1M : A 138 RCY C1M : A 60 CYS N :(H bumps) USER MOD NoAdj-H: A 138 RCY H1L : A 138 RCY C1L : A 58 GLU OE1 :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VB : A 160 RCY C1V : A 176 RCY C1S :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CB : A 160 RCY C1C : A 176 RCY N1R :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CA : A 160 RCY C1C : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Y : A 160 RCY C1Y : A 168 RCY C1P :(H bumps) USER MOD NoAdj-H: A 160 RCY H1V : A 160 RCY C1V : A 176 RCY C1S :(H bumps) USER MOD NoAdj-H: A 160 RCY H1U : A 160 RCY C1U : A 176 RCY C1S :(H bumps) USER MOD NoAdj-H: A 160 RCY H1S : A 160 RCY C1S : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCY H1L : A 160 RCY C1L : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCY H1C : A 160 RCY C1C : A 176 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZA : A 168 RCY C1Z : A 70 TRP NE1 :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 70 TRP CZ2 :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 70 TRP CD2 :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 70 TRP CE3 :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1LA : A 168 RCY C1L : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 70 TRP CZ2 :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 70 TRP CE3 :(H bumps) USER MOD NoAdj-H: A 168 RCY H1U : A 168 RCY C1U : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1M : A 168 RCY C1M : A 70 TRP CD2 :(H bumps) USER MOD NoAdj-H: A 168 RCY H1L : A 168 RCY C1L : A 63 ASP OD1 :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 71 GLU N :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 168 RCY C1L :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 168 RCY C1S :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 168 RCY O1H :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 71 GLU N :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 70 TRP CA :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 69 PRO C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 70 TRP CA :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 77 GLU OE2 :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 160 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CB : A 176 RCY C1C : A 160 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 160 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 160 RCY O1G :(H bumps) USER MOD NoAdj-H: A 176 RCY H1S : A 176 RCY C1S : A 160 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 62 THR OG1 : rot 180:sc= 0.0117 USER MOD Set 1.2: A 65 THR OG1 : rot -43:sc= 0.111! USER MOD Single : A 1 MET CE :methyl -133:sc= -2.16! (180deg=-2.7!) USER MOD Single : A 1 MET N :NH3+ -105:sc= -0.0592 (180deg=-4.92!) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.0502 F(o=-1.9,f=-0.05) USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= -0.213 (180deg=-1.2) USER MOD Single : A 12 SER OG : rot 180:sc= 0.168 USER MOD Single : A 14 THR OG1 : rot 180:sc= -2.13! USER MOD Single : A 17 MET CE :methyl 145:sc= -0.12 (180deg=-0.999) USER MOD Single : A 22 THR OG1 : rot -14:sc= 0.304! USER MOD Single : A 25 LYS NZ :NH3+ 149:sc= -0.183 (180deg=-0.983) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 152:sc= -10.9! (180deg=-12.6!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -147:sc= -0.269! USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -133:sc= -2.32 (180deg=-6.65!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= -2.68! (180deg=-2.91) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= -2.96 (180deg=-2.96) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl -170:sc= 0 (180deg=-0.0825) USER MOD Single : A 74 ASN :FLIP amide:sc= -2.2! C(o=-4.5!,f=-2.2!) USER MOD Single : A 75 HIS : no HD1:sc= -17.6! C(o=-18!,f=-29!) USER MOD Single : A 79 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.0018) USER MOD Single : A 83 GLN : amide:sc= -0.74 X(o=-0.74,f=-0.47) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 45.107 1.040 -9.790 1.00 1.00 N ATOM 2 CA MET A 1 46.065 0.282 -8.937 1.00 1.00 C ATOM 3 C MET A 1 47.053 1.256 -8.291 1.00 1.00 C ATOM 4 O MET A 1 46.907 2.459 -8.389 1.00 1.00 O ATOM 5 CB MET A 1 46.831 -0.725 -9.798 1.00 1.00 C ATOM 6 CG MET A 1 47.296 -0.046 -11.088 1.00 1.00 C ATOM 7 SD MET A 1 45.908 0.067 -12.244 1.00 1.00 S ATOM 8 CE MET A 1 46.043 1.839 -12.588 1.00 1.00 C ATOM 0 H1 MET A 1 44.186 1.098 -9.310 1.00 1.00 H new ATOM 0 H2 MET A 1 45.473 1.999 -9.955 1.00 1.00 H new ATOM 0 H3 MET A 1 44.992 0.552 -10.701 1.00 1.00 H new ATOM 0 HA MET A 1 45.516 -0.249 -8.159 1.00 1.00 H new ATOM 0 HB2 MET A 1 47.689 -1.111 -9.248 1.00 1.00 H new ATOM 0 HB3 MET A 1 46.194 -1.577 -10.033 1.00 1.00 H new ATOM 0 HG2 MET A 1 47.683 0.949 -10.869 1.00 1.00 H new ATOM 0 HG3 MET A 1 48.112 -0.613 -11.537 1.00 1.00 H new ATOM 0 HE1 MET A 1 45.057 2.299 -12.519 1.00 1.00 H new ATOM 0 HE2 MET A 1 46.711 2.301 -11.861 1.00 1.00 H new ATOM 0 HE3 MET A 1 46.442 1.985 -13.592 1.00 1.00 H new ATOM 17 N ASN A 2 48.058 0.747 -7.632 1.00 1.00 N ATOM 18 CA ASN A 2 49.053 1.644 -6.982 1.00 1.00 C ATOM 19 C ASN A 2 48.322 2.707 -6.159 1.00 1.00 C ATOM 20 O ASN A 2 48.839 3.779 -5.911 1.00 1.00 O ATOM 21 CB ASN A 2 49.904 2.326 -8.056 1.00 1.00 C ATOM 22 CG ASN A 2 50.748 1.277 -8.782 1.00 1.00 C ATOM 23 OD1 ASN A 2 50.162 0.413 -9.565 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 51.954 1.242 -8.634 1.00 1.00 N flip ATOM 0 H ASN A 2 48.232 -0.251 -7.516 1.00 1.00 H new ATOM 0 HA ASN A 2 49.697 1.057 -6.327 1.00 1.00 H new ATOM 0 HB2 ASN A 2 49.262 2.847 -8.767 1.00 1.00 H new ATOM 0 HB3 ASN A 2 50.550 3.076 -7.601 1.00 1.00 H new ATOM 0 HD21 ASN A 2 52.413 1.917 -8.022 1.00 1.00 H new ATOM 0 HD22 ASN A 2 52.507 0.538 -9.122 1.00 1.00 H new ATOM 31 N LEU A 3 47.122 2.420 -5.735 1.00 1.00 N ATOM 32 CA LEU A 3 46.358 3.414 -4.929 1.00 1.00 C ATOM 33 C LEU A 3 46.953 3.493 -3.521 1.00 1.00 C ATOM 34 O LEU A 3 46.259 3.344 -2.535 1.00 1.00 O ATOM 35 CB LEU A 3 44.890 2.981 -4.842 1.00 1.00 C ATOM 36 CG LEU A 3 44.174 3.325 -6.149 1.00 1.00 C ATOM 37 CD1 LEU A 3 43.010 2.356 -6.365 1.00 1.00 C ATOM 38 CD2 LEU A 3 43.637 4.756 -6.074 1.00 1.00 C ATOM 0 H LEU A 3 46.637 1.540 -5.912 1.00 1.00 H new ATOM 0 HA LEU A 3 46.419 4.393 -5.404 1.00 1.00 H new ATOM 0 HB2 LEU A 3 44.827 1.909 -4.653 1.00 1.00 H new ATOM 0 HB3 LEU A 3 44.402 3.482 -4.006 1.00 1.00 H new ATOM 0 HG LEU A 3 44.875 3.241 -6.979 1.00 1.00 H new ATOM 0 HD11 LEU A 3 42.500 2.602 -7.297 1.00 1.00 H new ATOM 0 HD12 LEU A 3 43.391 1.336 -6.418 1.00 1.00 H new ATOM 0 HD13 LEU A 3 42.309 2.439 -5.535 1.00 1.00 H new ATOM 0 HD21 LEU A 3 43.126 5.002 -7.005 1.00 1.00 H new ATOM 0 HD22 LEU A 3 42.936 4.839 -5.243 1.00 1.00 H new ATOM 0 HD23 LEU A 3 44.465 5.448 -5.920 1.00 1.00 H new ATOM 50 N GLU A 4 48.232 3.728 -3.420 1.00 1.00 N ATOM 51 CA GLU A 4 48.869 3.818 -2.076 1.00 1.00 C ATOM 52 C GLU A 4 48.544 5.182 -1.451 1.00 1.00 C ATOM 53 O GLU A 4 48.890 6.210 -1.999 1.00 1.00 O ATOM 54 CB GLU A 4 50.386 3.679 -2.226 1.00 1.00 C ATOM 55 CG GLU A 4 50.702 2.509 -3.160 1.00 1.00 C ATOM 56 CD GLU A 4 50.085 1.226 -2.599 1.00 1.00 C ATOM 57 OE1 GLU A 4 48.889 1.048 -2.761 1.00 1.00 O ATOM 58 OE2 GLU A 4 50.819 0.445 -2.017 1.00 1.00 O ATOM 0 H GLU A 4 48.864 3.862 -4.210 1.00 1.00 H new ATOM 0 HA GLU A 4 48.489 3.022 -1.436 1.00 1.00 H new ATOM 0 HB2 GLU A 4 50.809 4.601 -2.625 1.00 1.00 H new ATOM 0 HB3 GLU A 4 50.845 3.514 -1.251 1.00 1.00 H new ATOM 0 HG2 GLU A 4 50.308 2.709 -4.156 1.00 1.00 H new ATOM 0 HG3 GLU A 4 51.781 2.392 -3.261 1.00 1.00 H new ATOM 65 N PRO A 5 47.888 5.205 -0.313 1.00 1.00 N ATOM 66 CA PRO A 5 47.529 6.480 0.371 1.00 1.00 C ATOM 67 C PRO A 5 48.695 7.479 0.369 1.00 1.00 C ATOM 68 O PRO A 5 49.842 7.098 0.246 1.00 1.00 O ATOM 69 CB PRO A 5 47.191 6.039 1.796 1.00 1.00 C ATOM 70 CG PRO A 5 46.711 4.631 1.661 1.00 1.00 C ATOM 71 CD PRO A 5 47.421 4.031 0.442 1.00 1.00 C ATOM 0 HA PRO A 5 46.709 6.999 -0.125 1.00 1.00 H new ATOM 0 HB2 PRO A 5 48.065 6.098 2.445 1.00 1.00 H new ATOM 0 HB3 PRO A 5 46.424 6.677 2.235 1.00 1.00 H new ATOM 0 HG2 PRO A 5 46.938 4.058 2.560 1.00 1.00 H new ATOM 0 HG3 PRO A 5 45.629 4.603 1.530 1.00 1.00 H new ATOM 0 HD2 PRO A 5 48.252 3.391 0.739 1.00 1.00 H new ATOM 0 HD3 PRO A 5 46.744 3.418 -0.152 1.00 1.00 H new ATOM 79 N PRO A 6 48.404 8.748 0.502 1.00 1.00 N ATOM 80 CA PRO A 6 49.448 9.815 0.511 1.00 1.00 C ATOM 81 C PRO A 6 50.291 9.796 1.792 1.00 1.00 C ATOM 82 O PRO A 6 49.812 9.466 2.858 1.00 1.00 O ATOM 83 CB PRO A 6 48.642 11.115 0.414 1.00 1.00 C ATOM 84 CG PRO A 6 47.297 10.783 0.969 1.00 1.00 C ATOM 85 CD PRO A 6 47.051 9.304 0.661 1.00 1.00 C ATOM 0 HA PRO A 6 50.164 9.687 -0.301 1.00 1.00 H new ATOM 0 HB2 PRO A 6 49.116 11.916 0.982 1.00 1.00 H new ATOM 0 HB3 PRO A 6 48.569 11.457 -0.618 1.00 1.00 H new ATOM 0 HG2 PRO A 6 47.265 10.966 2.043 1.00 1.00 H new ATOM 0 HG3 PRO A 6 46.526 11.407 0.516 1.00 1.00 H new ATOM 0 HD2 PRO A 6 46.509 8.812 1.469 1.00 1.00 H new ATOM 0 HD3 PRO A 6 46.458 9.177 -0.245 1.00 1.00 H new ATOM 93 N LYS A 7 51.542 10.154 1.690 1.00 1.00 N ATOM 94 CA LYS A 7 52.421 10.165 2.896 1.00 1.00 C ATOM 95 C LYS A 7 52.229 8.873 3.688 1.00 1.00 C ATOM 96 O LYS A 7 52.073 8.886 4.892 1.00 1.00 O ATOM 97 CB LYS A 7 52.058 11.359 3.775 1.00 1.00 C ATOM 98 CG LYS A 7 51.897 12.605 2.902 1.00 1.00 C ATOM 99 CD LYS A 7 53.204 12.880 2.157 1.00 1.00 C ATOM 100 CE LYS A 7 53.207 14.320 1.643 1.00 1.00 C ATOM 101 NZ LYS A 7 53.138 15.260 2.797 1.00 1.00 N ATOM 0 H LYS A 7 51.995 10.440 0.822 1.00 1.00 H new ATOM 0 HA LYS A 7 53.462 10.243 2.583 1.00 1.00 H new ATOM 0 HB2 LYS A 7 51.133 11.158 4.315 1.00 1.00 H new ATOM 0 HB3 LYS A 7 52.834 11.523 4.522 1.00 1.00 H new ATOM 0 HG2 LYS A 7 51.084 12.461 2.190 1.00 1.00 H new ATOM 0 HG3 LYS A 7 51.631 13.463 3.520 1.00 1.00 H new ATOM 0 HD2 LYS A 7 54.054 12.718 2.820 1.00 1.00 H new ATOM 0 HD3 LYS A 7 53.313 12.185 1.324 1.00 1.00 H new ATOM 0 HE2 LYS A 7 54.109 14.508 1.061 1.00 1.00 H new ATOM 0 HE3 LYS A 7 52.359 14.482 0.978 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 53.583 16.163 2.536 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 52.143 15.425 3.052 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 53.640 14.849 3.610 1.00 1.00 H new ATOM 115 N ALA A 8 52.241 7.757 3.018 1.00 1.00 N ATOM 116 CA ALA A 8 52.060 6.456 3.726 1.00 1.00 C ATOM 117 C ALA A 8 52.853 5.363 3.003 1.00 1.00 C ATOM 118 O ALA A 8 53.721 5.640 2.201 1.00 1.00 O ATOM 119 CB ALA A 8 50.575 6.086 3.740 1.00 1.00 C ATOM 0 H ALA A 8 52.368 7.687 2.008 1.00 1.00 H new ATOM 0 HA ALA A 8 52.422 6.547 4.750 1.00 1.00 H new ATOM 0 HB1 ALA A 8 50.442 5.136 4.257 1.00 1.00 H new ATOM 0 HB2 ALA A 8 50.011 6.863 4.257 1.00 1.00 H new ATOM 0 HB3 ALA A 8 50.213 5.996 2.716 1.00 1.00 H new ATOM 125 N GLU A 9 52.555 4.122 3.285 1.00 1.00 N ATOM 126 CA GLU A 9 53.283 3.002 2.620 1.00 1.00 C ATOM 127 C GLU A 9 54.718 2.931 3.152 1.00 1.00 C ATOM 128 O GLU A 9 55.232 1.867 3.435 1.00 1.00 O ATOM 129 CB GLU A 9 53.307 3.231 1.103 1.00 1.00 C ATOM 130 CG GLU A 9 53.424 1.885 0.386 1.00 1.00 C ATOM 131 CD GLU A 9 54.640 1.125 0.919 1.00 1.00 C ATOM 132 OE1 GLU A 9 55.738 1.417 0.473 1.00 1.00 O ATOM 133 OE2 GLU A 9 54.453 0.265 1.764 1.00 1.00 O ATOM 0 H GLU A 9 51.836 3.835 3.950 1.00 1.00 H new ATOM 0 HA GLU A 9 52.772 2.063 2.835 1.00 1.00 H new ATOM 0 HB2 GLU A 9 52.399 3.745 0.788 1.00 1.00 H new ATOM 0 HB3 GLU A 9 54.146 3.872 0.834 1.00 1.00 H new ATOM 0 HG2 GLU A 9 52.519 1.298 0.542 1.00 1.00 H new ATOM 0 HG3 GLU A 9 53.522 2.041 -0.688 1.00 1.00 H new ATOM 140 N CYS A 10 55.368 4.053 3.289 1.00 1.00 N ATOM 141 CA CYS A 10 56.768 4.046 3.800 1.00 1.00 C ATOM 142 C CYS A 10 56.816 3.325 5.149 1.00 1.00 C ATOM 143 O CYS A 10 55.867 3.343 5.908 1.00 1.00 O ATOM 144 CB CYS A 10 57.255 5.486 3.972 1.00 1.00 C ATOM 145 SG CYS A 10 59.062 5.503 4.077 1.00 1.00 S ATOM 0 H CYS A 10 54.991 4.975 3.069 1.00 1.00 H new ATOM 0 HA CYS A 10 57.412 3.528 3.089 1.00 1.00 H new ATOM 0 HB2 CYS A 10 56.923 6.096 3.132 1.00 1.00 H new ATOM 0 HB3 CYS A 10 56.824 5.922 4.873 1.00 1.00 H new ATOM 150 N ARG A 11 57.916 2.693 5.455 1.00 1.00 N ATOM 151 CA ARG A 11 58.028 1.974 6.756 1.00 1.00 C ATOM 152 C ARG A 11 57.088 0.761 6.747 1.00 1.00 C ATOM 153 O ARG A 11 56.266 0.587 7.625 1.00 1.00 O ATOM 154 CB ARG A 11 57.655 2.936 7.899 1.00 1.00 C ATOM 155 CG ARG A 11 58.690 2.825 9.021 1.00 1.00 C ATOM 156 CD ARG A 11 59.939 3.624 8.645 1.00 1.00 C ATOM 157 NE ARG A 11 59.650 5.081 8.765 1.00 1.00 N ATOM 158 CZ ARG A 11 60.381 5.947 8.116 1.00 1.00 C ATOM 159 NH1 ARG A 11 61.364 5.536 7.362 1.00 1.00 N ATOM 160 NH2 ARG A 11 60.128 7.223 8.222 1.00 1.00 N ATOM 0 H ARG A 11 58.743 2.643 4.860 1.00 1.00 H new ATOM 0 HA ARG A 11 59.050 1.626 6.906 1.00 1.00 H new ATOM 0 HB2 ARG A 11 57.615 3.960 7.528 1.00 1.00 H new ATOM 0 HB3 ARG A 11 56.663 2.696 8.281 1.00 1.00 H new ATOM 0 HG2 ARG A 11 58.272 3.202 9.954 1.00 1.00 H new ATOM 0 HG3 ARG A 11 58.951 1.780 9.188 1.00 1.00 H new ATOM 0 HD2 ARG A 11 60.768 3.352 9.298 1.00 1.00 H new ATOM 0 HD3 ARG A 11 60.244 3.385 7.626 1.00 1.00 H new ATOM 0 HE ARG A 11 58.881 5.402 9.354 1.00 1.00 H new ATOM 0 HH11 ARG A 11 61.561 4.539 7.280 1.00 1.00 H new ATOM 0 HH12 ARG A 11 61.935 6.212 6.855 1.00 1.00 H new ATOM 0 HH21 ARG A 11 59.360 7.543 8.812 1.00 1.00 H new ATOM 0 HH22 ARG A 11 60.699 7.900 7.715 1.00 1.00 H new ATOM 174 N SER A 12 57.207 -0.080 5.756 1.00 1.00 N ATOM 175 CA SER A 12 56.326 -1.280 5.683 1.00 1.00 C ATOM 176 C SER A 12 56.331 -2.006 7.030 1.00 1.00 C ATOM 177 O SER A 12 55.354 -1.999 7.752 1.00 1.00 O ATOM 178 CB SER A 12 56.840 -2.223 4.594 1.00 1.00 C ATOM 179 OG SER A 12 58.185 -2.582 4.880 1.00 1.00 O ATOM 0 H SER A 12 57.877 0.012 4.993 1.00 1.00 H new ATOM 0 HA SER A 12 55.309 -0.968 5.446 1.00 1.00 H new ATOM 0 HB2 SER A 12 56.216 -3.115 4.545 1.00 1.00 H new ATOM 0 HB3 SER A 12 56.780 -1.739 3.619 1.00 1.00 H new ATOM 0 HG SER A 12 58.517 -3.188 4.185 1.00 1.00 H new ATOM 185 N ALA A 13 57.422 -2.638 7.375 1.00 1.00 N ATOM 186 CA ALA A 13 57.480 -3.365 8.675 1.00 1.00 C ATOM 187 C ALA A 13 58.936 -3.490 9.133 1.00 1.00 C ATOM 188 O ALA A 13 59.623 -2.506 9.324 1.00 1.00 O ATOM 189 CB ALA A 13 56.876 -4.761 8.505 1.00 1.00 C ATOM 0 H ALA A 13 58.273 -2.682 6.814 1.00 1.00 H new ATOM 0 HA ALA A 13 56.914 -2.811 9.424 1.00 1.00 H new ATOM 0 HB1 ALA A 13 56.918 -5.294 9.455 1.00 1.00 H new ATOM 0 HB2 ALA A 13 55.838 -4.672 8.184 1.00 1.00 H new ATOM 0 HB3 ALA A 13 57.441 -5.313 7.754 1.00 1.00 H new ATOM 195 N THR A 14 59.410 -4.693 9.315 1.00 1.00 N ATOM 196 CA THR A 14 60.818 -4.880 9.765 1.00 1.00 C ATOM 197 C THR A 14 61.772 -4.579 8.608 1.00 1.00 C ATOM 198 O THR A 14 62.807 -5.200 8.467 1.00 1.00 O ATOM 199 CB THR A 14 61.018 -6.325 10.230 1.00 1.00 C ATOM 200 OG1 THR A 14 60.707 -7.211 9.164 1.00 1.00 O ATOM 201 CG2 THR A 14 60.100 -6.612 11.419 1.00 1.00 C ATOM 0 H THR A 14 58.882 -5.554 9.171 1.00 1.00 H new ATOM 0 HA THR A 14 61.027 -4.200 10.591 1.00 1.00 H new ATOM 0 HB THR A 14 62.055 -6.470 10.532 1.00 1.00 H new ATOM 0 HG1 THR A 14 60.836 -8.136 9.460 1.00 1.00 H new ATOM 0 HG21 THR A 14 60.243 -7.641 11.749 1.00 1.00 H new ATOM 0 HG22 THR A 14 60.340 -5.932 12.236 1.00 1.00 H new ATOM 0 HG23 THR A 14 59.062 -6.468 11.120 1.00 1.00 H new ATOM 209 N ARG A 15 61.436 -3.629 7.779 1.00 1.00 N ATOM 210 CA ARG A 15 62.327 -3.289 6.635 1.00 1.00 C ATOM 211 C ARG A 15 62.560 -4.536 5.779 1.00 1.00 C ATOM 212 O ARG A 15 63.668 -4.824 5.372 1.00 1.00 O ATOM 213 CB ARG A 15 63.667 -2.778 7.172 1.00 1.00 C ATOM 214 CG ARG A 15 64.407 -2.024 6.066 1.00 1.00 C ATOM 215 CD ARG A 15 65.719 -1.463 6.618 1.00 1.00 C ATOM 216 NE ARG A 15 66.239 -0.415 5.696 1.00 1.00 N ATOM 217 CZ ARG A 15 65.642 0.743 5.622 1.00 1.00 C ATOM 218 NH1 ARG A 15 64.590 0.983 6.355 1.00 1.00 N ATOM 219 NH2 ARG A 15 66.097 1.661 4.814 1.00 1.00 N ATOM 0 H ARG A 15 60.583 -3.074 7.845 1.00 1.00 H new ATOM 0 HA ARG A 15 61.859 -2.516 6.025 1.00 1.00 H new ATOM 0 HB2 ARG A 15 63.502 -2.121 8.026 1.00 1.00 H new ATOM 0 HB3 ARG A 15 64.272 -3.613 7.524 1.00 1.00 H new ATOM 0 HG2 ARG A 15 64.609 -2.692 5.229 1.00 1.00 H new ATOM 0 HG3 ARG A 15 63.785 -1.214 5.685 1.00 1.00 H new ATOM 0 HD2 ARG A 15 65.558 -1.042 7.610 1.00 1.00 H new ATOM 0 HD3 ARG A 15 66.452 -2.263 6.727 1.00 1.00 H new ATOM 0 HE ARG A 15 67.062 -0.602 5.123 1.00 1.00 H new ATOM 0 HH11 ARG A 15 64.234 0.265 6.986 1.00 1.00 H new ATOM 0 HH12 ARG A 15 64.124 1.888 6.297 1.00 1.00 H new ATOM 0 HH21 ARG A 15 66.919 1.473 4.240 1.00 1.00 H new ATOM 0 HH22 ARG A 15 65.630 2.566 4.756 1.00 1.00 H new ATOM 233 N VAL A 16 61.523 -5.279 5.500 1.00 1.00 N ATOM 234 CA VAL A 16 61.683 -6.507 4.668 1.00 1.00 C ATOM 235 C VAL A 16 60.458 -6.676 3.769 1.00 1.00 C ATOM 236 O VAL A 16 59.346 -6.373 4.156 1.00 1.00 O ATOM 237 CB VAL A 16 61.816 -7.728 5.580 1.00 1.00 C ATOM 238 CG1 VAL A 16 60.565 -7.854 6.452 1.00 1.00 C ATOM 239 CG2 VAL A 16 61.968 -8.988 4.725 1.00 1.00 C ATOM 0 H VAL A 16 60.571 -5.089 5.813 1.00 1.00 H new ATOM 0 HA VAL A 16 62.577 -6.414 4.052 1.00 1.00 H new ATOM 0 HB VAL A 16 62.693 -7.611 6.217 1.00 1.00 H new ATOM 0 HG11 VAL A 16 60.660 -8.724 7.102 1.00 1.00 H new ATOM 0 HG12 VAL A 16 60.454 -6.957 7.061 1.00 1.00 H new ATOM 0 HG13 VAL A 16 59.688 -7.971 5.815 1.00 1.00 H new ATOM 0 HG21 VAL A 16 62.063 -9.859 5.374 1.00 1.00 H new ATOM 0 HG22 VAL A 16 61.091 -9.104 4.088 1.00 1.00 H new ATOM 0 HG23 VAL A 16 62.859 -8.900 4.103 1.00 1.00 H new ATOM 249 N MET A 17 60.650 -7.156 2.572 1.00 1.00 N ATOM 250 CA MET A 17 59.495 -7.342 1.651 1.00 1.00 C ATOM 251 C MET A 17 58.670 -6.054 1.602 1.00 1.00 C ATOM 252 O MET A 17 57.741 -5.871 2.363 1.00 1.00 O ATOM 253 CB MET A 17 58.620 -8.490 2.160 1.00 1.00 C ATOM 254 CG MET A 17 57.459 -8.717 1.190 1.00 1.00 C ATOM 255 SD MET A 17 56.637 -10.280 1.588 1.00 1.00 S ATOM 256 CE MET A 17 56.071 -9.823 3.245 1.00 1.00 C ATOM 0 H MET A 17 61.557 -7.427 2.192 1.00 1.00 H new ATOM 0 HA MET A 17 59.859 -7.578 0.651 1.00 1.00 H new ATOM 0 HB2 MET A 17 59.213 -9.400 2.253 1.00 1.00 H new ATOM 0 HB3 MET A 17 58.237 -8.256 3.153 1.00 1.00 H new ATOM 0 HG2 MET A 17 56.749 -7.893 1.257 1.00 1.00 H new ATOM 0 HG3 MET A 17 57.827 -8.738 0.164 1.00 1.00 H new ATOM 0 HE1 MET A 17 55.103 -10.284 3.439 1.00 1.00 H new ATOM 0 HE2 MET A 17 56.793 -10.170 3.985 1.00 1.00 H new ATOM 0 HE3 MET A 17 55.976 -8.739 3.311 1.00 1.00 H new ATOM 266 N GLY A 18 59.003 -5.160 0.713 1.00 1.00 N ATOM 267 CA GLY A 18 58.239 -3.884 0.616 1.00 1.00 C ATOM 268 C GLY A 18 58.980 -2.914 -0.307 1.00 1.00 C ATOM 269 O GLY A 18 60.000 -2.358 0.051 1.00 1.00 O ATOM 0 H GLY A 18 59.771 -5.257 0.049 1.00 1.00 H new ATOM 0 HA2 GLY A 18 57.238 -4.076 0.231 1.00 1.00 H new ATOM 0 HA3 GLY A 18 58.121 -3.442 1.606 1.00 1.00 H new ATOM 273 N GLY A 19 58.476 -2.706 -1.492 1.00 1.00 N ATOM 274 CA GLY A 19 59.152 -1.772 -2.437 1.00 1.00 C ATOM 275 C GLY A 19 58.661 -2.044 -3.861 1.00 1.00 C ATOM 276 O GLY A 19 59.352 -2.643 -4.660 1.00 1.00 O ATOM 0 H GLY A 19 57.625 -3.142 -1.847 1.00 1.00 H new ATOM 0 HA2 GLY A 19 58.940 -0.740 -2.159 1.00 1.00 H new ATOM 0 HA3 GLY A 19 60.233 -1.902 -2.382 1.00 1.00 H new ATOM 280 N PRO A 20 57.469 -1.607 -4.171 1.00 1.00 N ATOM 281 CA PRO A 20 56.862 -1.804 -5.520 1.00 1.00 C ATOM 282 C PRO A 20 57.820 -1.424 -6.655 1.00 1.00 C ATOM 283 O PRO A 20 57.524 -1.620 -7.817 1.00 1.00 O ATOM 284 CB PRO A 20 55.644 -0.876 -5.506 1.00 1.00 C ATOM 285 CG PRO A 20 55.268 -0.748 -4.067 1.00 1.00 C ATOM 286 CD PRO A 20 56.565 -0.878 -3.266 1.00 1.00 C ATOM 0 HA PRO A 20 56.612 -2.849 -5.703 1.00 1.00 H new ATOM 0 HB2 PRO A 20 55.884 0.095 -5.939 1.00 1.00 H new ATOM 0 HB3 PRO A 20 54.825 -1.292 -6.092 1.00 1.00 H new ATOM 0 HG2 PRO A 20 54.788 0.212 -3.875 1.00 1.00 H new ATOM 0 HG3 PRO A 20 54.556 -1.523 -3.782 1.00 1.00 H new ATOM 0 HD2 PRO A 20 56.969 0.098 -2.999 1.00 1.00 H new ATOM 0 HD3 PRO A 20 56.407 -1.423 -2.335 1.00 1.00 H new ATOM 294 N CYS A 21 58.967 -0.885 -6.327 1.00 1.00 N ATOM 295 CA CYS A 21 59.944 -0.496 -7.385 1.00 1.00 C ATOM 296 C CYS A 21 61.278 -1.203 -7.133 1.00 1.00 C ATOM 297 O CYS A 21 62.055 -0.801 -6.290 1.00 1.00 O ATOM 298 CB CYS A 21 60.157 1.020 -7.355 1.00 1.00 C ATOM 299 SG CYS A 21 60.291 1.578 -5.638 1.00 1.00 S ATOM 0 H CYS A 21 59.268 -0.698 -5.371 1.00 1.00 H new ATOM 0 HA CYS A 21 59.556 -0.788 -8.361 1.00 1.00 H new ATOM 0 HB2 CYS A 21 61.061 1.282 -7.905 1.00 1.00 H new ATOM 0 HB3 CYS A 21 59.326 1.524 -7.849 1.00 1.00 H new ATOM 304 N THR A 22 61.549 -2.254 -7.859 1.00 1.00 N ATOM 305 CA THR A 22 62.832 -2.985 -7.662 1.00 1.00 C ATOM 306 C THR A 22 63.964 -2.212 -8.353 1.00 1.00 C ATOM 307 O THR A 22 63.823 -1.790 -9.484 1.00 1.00 O ATOM 308 CB THR A 22 62.721 -4.381 -8.280 1.00 1.00 C ATOM 309 OG1 THR A 22 63.019 -4.308 -9.667 1.00 1.00 O ATOM 310 CG2 THR A 22 61.300 -4.915 -8.088 1.00 1.00 C ATOM 0 H THR A 22 60.937 -2.637 -8.580 1.00 1.00 H new ATOM 0 HA THR A 22 63.044 -3.074 -6.597 1.00 1.00 H new ATOM 0 HB THR A 22 63.427 -5.052 -7.791 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.000 -3.372 -9.957 1.00 1.00 H new ATOM 0 HG21 THR A 22 61.222 -5.909 -8.528 1.00 1.00 H new ATOM 0 HG22 THR A 22 61.073 -4.971 -7.023 1.00 1.00 H new ATOM 0 HG23 THR A 22 60.591 -4.246 -8.575 1.00 1.00 H new ATOM 318 N PRO A 23 65.079 -2.024 -7.687 1.00 1.00 N ATOM 319 CA PRO A 23 66.237 -1.288 -8.266 1.00 1.00 C ATOM 320 C PRO A 23 66.478 -1.641 -9.742 1.00 1.00 C ATOM 321 O PRO A 23 65.990 -0.974 -10.631 1.00 1.00 O ATOM 322 CB PRO A 23 67.412 -1.730 -7.390 1.00 1.00 C ATOM 323 CG PRO A 23 66.804 -2.039 -6.060 1.00 1.00 C ATOM 324 CD PRO A 23 65.361 -2.490 -6.319 1.00 1.00 C ATOM 0 HA PRO A 23 66.081 -0.209 -8.267 1.00 1.00 H new ATOM 0 HB2 PRO A 23 67.911 -2.604 -7.809 1.00 1.00 H new ATOM 0 HB3 PRO A 23 68.162 -0.943 -7.309 1.00 1.00 H new ATOM 0 HG2 PRO A 23 67.367 -2.822 -5.551 1.00 1.00 H new ATOM 0 HG3 PRO A 23 66.823 -1.161 -5.414 1.00 1.00 H new ATOM 0 HD2 PRO A 23 65.261 -3.572 -6.238 1.00 1.00 H new ATOM 0 HD3 PRO A 23 64.671 -2.051 -5.598 1.00 1.00 H new ATOM 332 N ARG A 24 67.224 -2.682 -10.008 1.00 1.00 N ATOM 333 CA ARG A 24 67.498 -3.078 -11.422 1.00 1.00 C ATOM 334 C ARG A 24 68.602 -4.140 -11.432 1.00 1.00 C ATOM 335 O ARG A 24 69.583 -4.033 -10.723 1.00 1.00 O ATOM 336 CB ARG A 24 67.960 -1.849 -12.229 1.00 1.00 C ATOM 337 CG ARG A 24 66.888 -1.475 -13.255 1.00 1.00 C ATOM 338 CD ARG A 24 67.085 -0.023 -13.693 1.00 1.00 C ATOM 339 NE ARG A 24 66.627 0.890 -12.608 1.00 1.00 N ATOM 340 CZ ARG A 24 66.589 2.178 -12.811 1.00 1.00 C ATOM 341 NH1 ARG A 24 66.951 2.668 -13.966 1.00 1.00 N ATOM 342 NH2 ARG A 24 66.188 2.978 -11.861 1.00 1.00 N ATOM 0 H ARG A 24 67.657 -3.278 -9.303 1.00 1.00 H new ATOM 0 HA ARG A 24 66.590 -3.478 -11.874 1.00 1.00 H new ATOM 0 HB2 ARG A 24 68.144 -1.010 -11.559 1.00 1.00 H new ATOM 0 HB3 ARG A 24 68.901 -2.066 -12.734 1.00 1.00 H new ATOM 0 HG2 ARG A 24 66.949 -2.138 -14.118 1.00 1.00 H new ATOM 0 HG3 ARG A 24 65.896 -1.604 -12.823 1.00 1.00 H new ATOM 0 HD2 ARG A 24 68.136 0.161 -13.918 1.00 1.00 H new ATOM 0 HD3 ARG A 24 66.524 0.171 -14.607 1.00 1.00 H new ATOM 0 HE ARG A 24 66.343 0.508 -11.706 1.00 1.00 H new ATOM 0 HH11 ARG A 24 67.263 2.044 -14.710 1.00 1.00 H new ATOM 0 HH12 ARG A 24 66.921 3.675 -14.125 1.00 1.00 H new ATOM 0 HH21 ARG A 24 65.904 2.596 -10.959 1.00 1.00 H new ATOM 0 HH22 ARG A 24 66.159 3.985 -12.021 1.00 1.00 H new ATOM 356 N LYS A 25 68.456 -5.161 -12.232 1.00 1.00 N ATOM 357 CA LYS A 25 69.506 -6.218 -12.280 1.00 1.00 C ATOM 358 C LYS A 25 70.875 -5.554 -12.442 1.00 1.00 C ATOM 359 O LYS A 25 71.869 -6.018 -11.919 1.00 1.00 O ATOM 360 CB LYS A 25 69.235 -7.164 -13.459 1.00 1.00 C ATOM 361 CG LYS A 25 69.779 -6.547 -14.749 1.00 1.00 C ATOM 362 CD LYS A 25 69.177 -7.271 -15.955 1.00 1.00 C ATOM 363 CE LYS A 25 70.121 -7.143 -17.152 1.00 1.00 C ATOM 364 NZ LYS A 25 71.391 -7.868 -16.862 1.00 1.00 N ATOM 0 H LYS A 25 67.659 -5.309 -12.852 1.00 1.00 H new ATOM 0 HA LYS A 25 69.491 -6.797 -11.356 1.00 1.00 H new ATOM 0 HB2 LYS A 25 69.707 -8.130 -13.279 1.00 1.00 H new ATOM 0 HB3 LYS A 25 68.164 -7.345 -13.554 1.00 1.00 H new ATOM 0 HG2 LYS A 25 69.533 -5.486 -14.789 1.00 1.00 H new ATOM 0 HG3 LYS A 25 70.866 -6.624 -14.771 1.00 1.00 H new ATOM 0 HD2 LYS A 25 69.015 -8.322 -15.717 1.00 1.00 H new ATOM 0 HD3 LYS A 25 68.204 -6.845 -16.199 1.00 1.00 H new ATOM 0 HE2 LYS A 25 69.651 -7.554 -18.045 1.00 1.00 H new ATOM 0 HE3 LYS A 25 70.328 -6.092 -17.355 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 71.789 -8.239 -17.748 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 72.071 -7.215 -16.424 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 71.200 -8.657 -16.211 1.00 1.00 H new ATOM 378 N GLY A 26 70.927 -4.463 -13.160 1.00 1.00 N ATOM 379 CA GLY A 26 72.221 -3.747 -13.362 1.00 1.00 C ATOM 380 C GLY A 26 72.175 -2.408 -12.614 1.00 1.00 C ATOM 381 O GLY A 26 71.449 -1.510 -12.991 1.00 1.00 O ATOM 0 H GLY A 26 70.123 -4.034 -13.618 1.00 1.00 H new ATOM 0 HA2 GLY A 26 73.048 -4.355 -12.995 1.00 1.00 H new ATOM 0 HA3 GLY A 26 72.396 -3.579 -14.425 1.00 1.00 H new ATOM 385 N PRO A 27 72.937 -2.275 -11.560 1.00 1.00 N ATOM 386 CA PRO A 27 72.974 -1.023 -10.746 1.00 1.00 C ATOM 387 C PRO A 27 73.324 0.208 -11.596 1.00 1.00 C ATOM 388 O PRO A 27 74.363 0.250 -12.224 1.00 1.00 O ATOM 389 CB PRO A 27 74.076 -1.288 -9.711 1.00 1.00 C ATOM 390 CG PRO A 27 74.202 -2.773 -9.637 1.00 1.00 C ATOM 391 CD PRO A 27 73.841 -3.304 -11.024 1.00 1.00 C ATOM 0 HA PRO A 27 72.004 -0.802 -10.300 1.00 1.00 H new ATOM 0 HB2 PRO A 27 75.017 -0.829 -10.013 1.00 1.00 H new ATOM 0 HB3 PRO A 27 73.813 -0.867 -8.741 1.00 1.00 H new ATOM 0 HG2 PRO A 27 75.216 -3.064 -9.361 1.00 1.00 H new ATOM 0 HG3 PRO A 27 73.535 -3.182 -8.878 1.00 1.00 H new ATOM 0 HD2 PRO A 27 74.725 -3.427 -11.649 1.00 1.00 H new ATOM 0 HD3 PRO A 27 73.353 -4.277 -10.967 1.00 1.00 H new ATOM 399 N PRO A 28 72.472 1.205 -11.620 1.00 1.00 N ATOM 400 CA PRO A 28 72.721 2.442 -12.412 1.00 1.00 C ATOM 401 C PRO A 28 74.156 2.953 -12.246 1.00 1.00 C ATOM 402 O PRO A 28 74.646 3.112 -11.145 1.00 1.00 O ATOM 403 CB PRO A 28 71.722 3.446 -11.834 1.00 1.00 C ATOM 404 CG PRO A 28 70.592 2.614 -11.321 1.00 1.00 C ATOM 405 CD PRO A 28 71.188 1.266 -10.903 1.00 1.00 C ATOM 0 HA PRO A 28 72.599 2.274 -13.482 1.00 1.00 H new ATOM 0 HB2 PRO A 28 72.172 4.036 -11.036 1.00 1.00 H new ATOM 0 HB3 PRO A 28 71.382 4.148 -12.596 1.00 1.00 H new ATOM 0 HG2 PRO A 28 70.107 3.101 -10.475 1.00 1.00 H new ATOM 0 HG3 PRO A 28 69.832 2.479 -12.090 1.00 1.00 H new ATOM 0 HD2 PRO A 28 71.331 1.210 -9.824 1.00 1.00 H new ATOM 0 HD3 PRO A 28 70.536 0.438 -11.181 1.00 1.00 H new ATOM 413 N LYS A 29 74.832 3.214 -13.331 1.00 1.00 N ATOM 414 CA LYS A 29 76.230 3.715 -13.233 1.00 1.00 C ATOM 415 C LYS A 29 76.235 5.052 -12.490 1.00 1.00 C ATOM 416 O LYS A 29 75.239 5.747 -12.439 1.00 1.00 O ATOM 417 CB LYS A 29 76.804 3.907 -14.639 1.00 1.00 C ATOM 418 CG LYS A 29 76.686 2.598 -15.422 1.00 1.00 C ATOM 419 CD LYS A 29 77.597 2.653 -16.650 1.00 1.00 C ATOM 420 CE LYS A 29 77.109 3.749 -17.600 1.00 1.00 C ATOM 421 NZ LYS A 29 77.702 3.536 -18.950 1.00 1.00 N ATOM 0 H LYS A 29 74.476 3.102 -14.280 1.00 1.00 H new ATOM 0 HA LYS A 29 76.841 2.993 -12.690 1.00 1.00 H new ATOM 0 HB2 LYS A 29 76.268 4.702 -15.157 1.00 1.00 H new ATOM 0 HB3 LYS A 29 77.848 4.214 -14.578 1.00 1.00 H new ATOM 0 HG2 LYS A 29 76.964 1.756 -14.788 1.00 1.00 H new ATOM 0 HG3 LYS A 29 75.653 2.438 -15.730 1.00 1.00 H new ATOM 0 HD2 LYS A 29 78.624 2.852 -16.345 1.00 1.00 H new ATOM 0 HD3 LYS A 29 77.597 1.689 -17.159 1.00 1.00 H new ATOM 0 HE2 LYS A 29 76.021 3.733 -17.662 1.00 1.00 H new ATOM 0 HE3 LYS A 29 77.392 4.730 -17.217 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 77.371 4.281 -19.596 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 78.739 3.572 -18.883 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 77.411 2.607 -19.314 1.00 1.00 H new ATOM 435 N CYS A 30 77.349 5.416 -11.912 1.00 1.00 N ATOM 436 CA CYS A 30 77.422 6.706 -11.169 1.00 1.00 C ATOM 437 C CYS A 30 78.718 7.432 -11.539 1.00 1.00 C ATOM 438 O CYS A 30 78.704 8.442 -12.215 1.00 1.00 O ATOM 439 CB CYS A 30 77.394 6.425 -9.663 1.00 1.00 C ATOM 440 SG CYS A 30 75.684 6.474 -9.072 1.00 1.00 S ATOM 0 H CYS A 30 78.213 4.874 -11.923 1.00 1.00 H new ATOM 0 HA CYS A 30 76.571 7.333 -11.434 1.00 1.00 H new ATOM 0 HB2 CYS A 30 77.834 5.449 -9.456 1.00 1.00 H new ATOM 0 HB3 CYS A 30 77.995 7.164 -9.133 1.00 1.00 H new ATOM 445 N LYS A 31 79.839 6.922 -11.112 1.00 1.00 N ATOM 446 CA LYS A 31 81.136 7.581 -11.451 1.00 1.00 C ATOM 447 C LYS A 31 81.663 7.000 -12.769 1.00 1.00 C ATOM 448 O LYS A 31 80.979 7.000 -13.773 1.00 1.00 O ATOM 449 CB LYS A 31 82.160 7.328 -10.338 1.00 1.00 C ATOM 450 CG LYS A 31 81.821 8.193 -9.122 1.00 1.00 C ATOM 451 CD LYS A 31 80.434 7.818 -8.599 1.00 1.00 C ATOM 452 CE LYS A 31 80.378 8.048 -7.088 1.00 1.00 C ATOM 453 NZ LYS A 31 81.154 9.273 -6.742 1.00 1.00 N ATOM 0 H LYS A 31 79.916 6.079 -10.544 1.00 1.00 H new ATOM 0 HA LYS A 31 80.980 8.655 -11.553 1.00 1.00 H new ATOM 0 HB2 LYS A 31 82.157 6.274 -10.060 1.00 1.00 H new ATOM 0 HB3 LYS A 31 83.164 7.560 -10.694 1.00 1.00 H new ATOM 0 HG2 LYS A 31 82.567 8.049 -8.341 1.00 1.00 H new ATOM 0 HG3 LYS A 31 81.845 9.248 -9.395 1.00 1.00 H new ATOM 0 HD2 LYS A 31 79.672 8.417 -9.097 1.00 1.00 H new ATOM 0 HD3 LYS A 31 80.218 6.774 -8.827 1.00 1.00 H new ATOM 0 HE2 LYS A 31 79.343 8.157 -6.764 1.00 1.00 H new ATOM 0 HE3 LYS A 31 80.787 7.185 -6.563 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 80.762 9.700 -5.878 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 82.150 9.019 -6.582 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 81.092 9.956 -7.524 1.00 1.00 H new ATOM 467 N GLN A 32 82.872 6.501 -12.774 1.00 1.00 N ATOM 468 CA GLN A 32 83.442 5.919 -14.024 1.00 1.00 C ATOM 469 C GLN A 32 84.571 4.952 -13.661 1.00 1.00 C ATOM 470 O GLN A 32 85.728 5.216 -13.919 1.00 1.00 O ATOM 471 CB GLN A 32 84.005 7.040 -14.903 1.00 1.00 C ATOM 472 CG GLN A 32 82.855 7.874 -15.470 1.00 1.00 C ATOM 473 CD GLN A 32 83.369 8.734 -16.627 1.00 1.00 C ATOM 474 OE1 GLN A 32 82.851 8.669 -17.724 1.00 1.00 O ATOM 475 NE2 GLN A 32 84.373 9.543 -16.426 1.00 1.00 N ATOM 0 H GLN A 32 83.490 6.472 -11.963 1.00 1.00 H new ATOM 0 HA GLN A 32 82.659 5.389 -14.566 1.00 1.00 H new ATOM 0 HB2 GLN A 32 84.673 7.673 -14.319 1.00 1.00 H new ATOM 0 HB3 GLN A 32 84.596 6.617 -15.715 1.00 1.00 H new ATOM 0 HG2 GLN A 32 82.054 7.221 -15.817 1.00 1.00 H new ATOM 0 HG3 GLN A 32 82.433 8.509 -14.691 1.00 1.00 H new ATOM 0 HE21 GLN A 32 84.808 9.597 -15.505 1.00 1.00 H new ATOM 0 HE22 GLN A 32 84.723 10.121 -17.190 1.00 1.00 H new ATOM 484 N ARG A 33 84.245 3.837 -13.060 1.00 1.00 N ATOM 485 CA ARG A 33 85.301 2.854 -12.674 1.00 1.00 C ATOM 486 C ARG A 33 86.330 3.545 -11.775 1.00 1.00 C ATOM 487 O ARG A 33 86.504 4.745 -11.831 1.00 1.00 O ATOM 488 CB ARG A 33 85.987 2.311 -13.931 1.00 1.00 C ATOM 489 CG ARG A 33 84.956 1.594 -14.805 1.00 1.00 C ATOM 490 CD ARG A 33 85.623 1.118 -16.096 1.00 1.00 C ATOM 491 NE ARG A 33 86.272 2.274 -16.776 1.00 1.00 N ATOM 492 CZ ARG A 33 87.566 2.425 -16.714 1.00 1.00 C ATOM 493 NH1 ARG A 33 88.293 1.564 -16.057 1.00 1.00 N ATOM 494 NH2 ARG A 33 88.134 3.438 -17.310 1.00 1.00 N ATOM 0 H ARG A 33 83.292 3.564 -12.820 1.00 1.00 H new ATOM 0 HA ARG A 33 84.847 2.024 -12.133 1.00 1.00 H new ATOM 0 HB2 ARG A 33 86.448 3.127 -14.488 1.00 1.00 H new ATOM 0 HB3 ARG A 33 86.786 1.623 -13.654 1.00 1.00 H new ATOM 0 HG2 ARG A 33 84.535 0.745 -14.267 1.00 1.00 H new ATOM 0 HG3 ARG A 33 84.130 2.266 -15.037 1.00 1.00 H new ATOM 0 HD2 ARG A 33 86.364 0.351 -15.873 1.00 1.00 H new ATOM 0 HD3 ARG A 33 84.882 0.664 -16.755 1.00 1.00 H new ATOM 0 HE ARG A 33 85.704 2.947 -17.290 1.00 1.00 H new ATOM 0 HH11 ARG A 33 87.850 0.772 -15.591 1.00 1.00 H new ATOM 0 HH12 ARG A 33 89.305 1.683 -16.009 1.00 1.00 H new ATOM 0 HH21 ARG A 33 87.566 4.111 -17.824 1.00 1.00 H new ATOM 0 HH22 ARG A 33 89.146 3.556 -17.262 1.00 1.00 H new ATOM 508 N GLN A 34 87.004 2.797 -10.937 1.00 1.00 N ATOM 509 CA GLN A 34 88.016 3.406 -10.018 1.00 1.00 C ATOM 510 C GLN A 34 87.490 4.744 -9.487 1.00 1.00 C ATOM 511 O GLN A 34 88.247 5.595 -9.067 1.00 1.00 O ATOM 512 CB GLN A 34 89.346 3.618 -10.758 1.00 1.00 C ATOM 513 CG GLN A 34 89.145 4.604 -11.911 1.00 1.00 C ATOM 514 CD GLN A 34 90.506 5.020 -12.471 1.00 1.00 C ATOM 515 OE1 GLN A 34 90.944 6.135 -12.269 1.00 1.00 O ATOM 516 NE2 GLN A 34 91.198 4.164 -13.172 1.00 1.00 N ATOM 0 H GLN A 34 86.897 1.786 -10.849 1.00 1.00 H new ATOM 0 HA GLN A 34 88.188 2.730 -9.180 1.00 1.00 H new ATOM 0 HB2 GLN A 34 90.100 3.999 -10.069 1.00 1.00 H new ATOM 0 HB3 GLN A 34 89.716 2.667 -11.141 1.00 1.00 H new ATOM 0 HG2 GLN A 34 88.542 4.145 -12.695 1.00 1.00 H new ATOM 0 HG3 GLN A 34 88.600 5.481 -11.562 1.00 1.00 H new ATOM 0 HE21 GLN A 34 90.830 3.228 -13.341 1.00 1.00 H new ATOM 0 HE22 GLN A 34 92.107 4.431 -13.550 1.00 1.00 H new ATOM 525 N THR A 35 86.191 4.918 -9.509 1.00 1.00 N ATOM 526 CA THR A 35 85.558 6.181 -9.019 1.00 1.00 C ATOM 527 C THR A 35 86.585 7.314 -8.954 1.00 1.00 C ATOM 528 O THR A 35 87.304 7.574 -9.898 1.00 1.00 O ATOM 529 CB THR A 35 84.969 5.941 -7.627 1.00 1.00 C ATOM 530 OG1 THR A 35 84.540 7.178 -7.077 1.00 1.00 O ATOM 531 CG2 THR A 35 86.033 5.318 -6.721 1.00 1.00 C ATOM 0 H THR A 35 85.530 4.222 -9.854 1.00 1.00 H new ATOM 0 HA THR A 35 84.769 6.471 -9.713 1.00 1.00 H new ATOM 0 HB THR A 35 84.119 5.263 -7.703 1.00 1.00 H new ATOM 0 HG1 THR A 35 84.661 7.163 -6.105 1.00 1.00 H new ATOM 0 HG21 THR A 35 85.612 5.148 -5.730 1.00 1.00 H new ATOM 0 HG22 THR A 35 86.361 4.369 -7.144 1.00 1.00 H new ATOM 0 HG23 THR A 35 86.885 5.994 -6.642 1.00 1.00 H new ATOM 539 N ARG A 36 86.658 7.984 -7.840 1.00 1.00 N ATOM 540 CA ARG A 36 87.635 9.095 -7.690 1.00 1.00 C ATOM 541 C ARG A 36 88.082 9.152 -6.232 1.00 1.00 C ATOM 542 O ARG A 36 88.381 10.203 -5.701 1.00 1.00 O ATOM 543 CB ARG A 36 86.977 10.420 -8.084 1.00 1.00 C ATOM 544 CG ARG A 36 85.562 10.481 -7.505 1.00 1.00 C ATOM 545 CD ARG A 36 85.024 11.908 -7.618 1.00 1.00 C ATOM 546 NE ARG A 36 83.618 11.872 -8.108 1.00 1.00 N ATOM 547 CZ ARG A 36 82.652 11.544 -7.295 1.00 1.00 C ATOM 548 NH1 ARG A 36 82.917 11.248 -6.052 1.00 1.00 N ATOM 549 NH2 ARG A 36 81.420 11.512 -7.724 1.00 1.00 N ATOM 0 H ARG A 36 86.077 7.808 -7.020 1.00 1.00 H new ATOM 0 HA ARG A 36 88.496 8.926 -8.337 1.00 1.00 H new ATOM 0 HB2 ARG A 36 87.569 11.256 -7.713 1.00 1.00 H new ATOM 0 HB3 ARG A 36 86.941 10.511 -9.170 1.00 1.00 H new ATOM 0 HG2 ARG A 36 84.909 9.792 -8.040 1.00 1.00 H new ATOM 0 HG3 ARG A 36 85.571 10.166 -6.461 1.00 1.00 H new ATOM 0 HD2 ARG A 36 85.070 12.403 -6.648 1.00 1.00 H new ATOM 0 HD3 ARG A 36 85.644 12.488 -8.301 1.00 1.00 H new ATOM 0 HE ARG A 36 83.410 12.104 -9.079 1.00 1.00 H new ATOM 0 HH11 ARG A 36 83.880 11.273 -5.716 1.00 1.00 H new ATOM 0 HH12 ARG A 36 82.161 10.992 -5.417 1.00 1.00 H new ATOM 0 HH21 ARG A 36 81.212 11.743 -8.695 1.00 1.00 H new ATOM 0 HH22 ARG A 36 80.665 11.255 -7.088 1.00 1.00 H new ATOM 563 N GLN A 37 88.122 8.020 -5.581 1.00 1.00 N ATOM 564 CA GLN A 37 88.542 7.987 -4.150 1.00 1.00 C ATOM 565 C GLN A 37 87.577 8.831 -3.314 1.00 1.00 C ATOM 566 O GLN A 37 87.831 9.985 -3.029 1.00 1.00 O ATOM 567 CB GLN A 37 89.962 8.545 -4.014 1.00 1.00 C ATOM 568 CG GLN A 37 90.866 7.904 -5.068 1.00 1.00 C ATOM 569 CD GLN A 37 92.272 8.499 -4.966 1.00 1.00 C ATOM 570 OE1 GLN A 37 93.130 7.950 -4.303 1.00 1.00 O ATOM 571 NE2 GLN A 37 92.546 9.606 -5.599 1.00 1.00 N ATOM 0 H GLN A 37 87.881 7.113 -5.981 1.00 1.00 H new ATOM 0 HA GLN A 37 88.526 6.957 -3.794 1.00 1.00 H new ATOM 0 HB2 GLN A 37 89.952 9.628 -4.138 1.00 1.00 H new ATOM 0 HB3 GLN A 37 90.350 8.342 -3.016 1.00 1.00 H new ATOM 0 HG2 GLN A 37 90.905 6.825 -4.921 1.00 1.00 H new ATOM 0 HG3 GLN A 37 90.459 8.075 -6.064 1.00 1.00 H new ATOM 0 HE21 GLN A 37 91.826 10.067 -6.155 1.00 1.00 H new ATOM 0 HE22 GLN A 37 93.480 10.011 -5.538 1.00 1.00 H new ATOM 580 N CYS A 38 86.471 8.261 -2.917 1.00 1.00 N ATOM 581 CA CYS A 38 85.486 9.022 -2.098 1.00 1.00 C ATOM 582 C CYS A 38 85.951 9.052 -0.641 1.00 1.00 C ATOM 583 O CYS A 38 85.155 9.118 0.274 1.00 1.00 O ATOM 584 CB CYS A 38 84.119 8.338 -2.184 1.00 1.00 C ATOM 585 SG CYS A 38 82.888 9.333 -1.306 1.00 1.00 S ATOM 0 H CYS A 38 86.207 7.298 -3.126 1.00 1.00 H new ATOM 0 HA CYS A 38 85.408 10.042 -2.475 1.00 1.00 H new ATOM 0 HB2 CYS A 38 83.827 8.216 -3.227 1.00 1.00 H new ATOM 0 HB3 CYS A 38 84.172 7.340 -1.749 1.00 1.00 H new ATOM 590 N LYS A 39 87.239 8.997 -0.420 1.00 1.00 N ATOM 591 CA LYS A 39 87.767 9.016 0.975 1.00 1.00 C ATOM 592 C LYS A 39 88.250 10.425 1.318 1.00 1.00 C ATOM 593 O LYS A 39 88.588 11.205 0.450 1.00 1.00 O ATOM 594 CB LYS A 39 88.944 8.043 1.084 1.00 1.00 C ATOM 595 CG LYS A 39 88.421 6.606 1.120 1.00 1.00 C ATOM 596 CD LYS A 39 87.854 6.234 -0.252 1.00 1.00 C ATOM 597 CE LYS A 39 87.742 4.712 -0.362 1.00 1.00 C ATOM 598 NZ LYS A 39 89.082 4.098 -0.146 1.00 1.00 N ATOM 0 H LYS A 39 87.950 8.940 -1.149 1.00 1.00 H new ATOM 0 HA LYS A 39 86.977 8.720 1.666 1.00 1.00 H new ATOM 0 HB2 LYS A 39 89.617 8.174 0.237 1.00 1.00 H new ATOM 0 HB3 LYS A 39 89.521 8.253 1.985 1.00 1.00 H new ATOM 0 HG2 LYS A 39 89.225 5.922 1.390 1.00 1.00 H new ATOM 0 HG3 LYS A 39 87.649 6.508 1.883 1.00 1.00 H new ATOM 0 HD2 LYS A 39 86.875 6.692 -0.389 1.00 1.00 H new ATOM 0 HD3 LYS A 39 88.500 6.620 -1.041 1.00 1.00 H new ATOM 0 HE2 LYS A 39 87.034 4.335 0.376 1.00 1.00 H new ATOM 0 HE3 LYS A 39 87.357 4.435 -1.344 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 89.262 3.388 -0.885 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 89.813 4.836 -0.190 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 89.108 3.640 0.788 1.00 1.00 H new ATOM 612 N SER A 40 88.294 10.754 2.581 1.00 1.00 N ATOM 613 CA SER A 40 88.766 12.110 2.984 1.00 1.00 C ATOM 614 C SER A 40 88.396 12.377 4.447 1.00 1.00 C ATOM 615 O SER A 40 89.027 13.172 5.115 1.00 1.00 O ATOM 616 CB SER A 40 88.112 13.171 2.094 1.00 1.00 C ATOM 617 OG SER A 40 87.909 14.357 2.850 1.00 1.00 O ATOM 0 H SER A 40 88.023 10.142 3.351 1.00 1.00 H new ATOM 0 HA SER A 40 89.849 12.156 2.870 1.00 1.00 H new ATOM 0 HB2 SER A 40 88.745 13.380 1.232 1.00 1.00 H new ATOM 0 HB3 SER A 40 87.161 12.804 1.709 1.00 1.00 H new ATOM 0 HG SER A 40 87.492 15.039 2.283 1.00 1.00 H new ATOM 623 N LYS A 41 87.376 11.736 4.952 1.00 1.00 N ATOM 624 CA LYS A 41 86.980 11.982 6.368 1.00 1.00 C ATOM 625 C LYS A 41 87.917 11.219 7.316 1.00 1.00 C ATOM 626 O LYS A 41 88.523 10.237 6.935 1.00 1.00 O ATOM 627 CB LYS A 41 85.541 11.511 6.570 1.00 1.00 C ATOM 628 CG LYS A 41 84.639 12.162 5.520 1.00 1.00 C ATOM 629 CD LYS A 41 83.223 12.307 6.080 1.00 1.00 C ATOM 630 CE LYS A 41 83.077 13.673 6.754 1.00 1.00 C ATOM 631 NZ LYS A 41 84.324 13.992 7.504 1.00 1.00 N ATOM 0 H LYS A 41 86.804 11.058 4.449 1.00 1.00 H new ATOM 0 HA LYS A 41 87.053 13.047 6.588 1.00 1.00 H new ATOM 0 HB2 LYS A 41 85.488 10.425 6.488 1.00 1.00 H new ATOM 0 HB3 LYS A 41 85.199 11.772 7.571 1.00 1.00 H new ATOM 0 HG2 LYS A 41 85.033 13.140 5.243 1.00 1.00 H new ATOM 0 HG3 LYS A 41 84.623 11.556 4.614 1.00 1.00 H new ATOM 0 HD2 LYS A 41 82.491 12.205 5.278 1.00 1.00 H new ATOM 0 HD3 LYS A 41 83.021 11.512 6.798 1.00 1.00 H new ATOM 0 HE2 LYS A 41 82.884 14.441 6.005 1.00 1.00 H new ATOM 0 HE3 LYS A 41 82.224 13.667 7.432 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 84.201 14.888 8.017 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 84.526 13.230 8.182 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 85.117 14.082 6.837 1.00 1.00 H new ATOM 645 N PRO A 42 88.038 11.667 8.547 1.00 1.00 N ATOM 646 CA PRO A 42 88.921 11.007 9.559 1.00 1.00 C ATOM 647 C PRO A 42 88.503 9.551 9.820 1.00 1.00 C ATOM 648 O PRO A 42 87.452 9.117 9.393 1.00 1.00 O ATOM 649 CB PRO A 42 88.745 11.855 10.830 1.00 1.00 C ATOM 650 CG PRO A 42 88.133 13.142 10.382 1.00 1.00 C ATOM 651 CD PRO A 42 87.353 12.843 9.102 1.00 1.00 C ATOM 0 HA PRO A 42 89.956 10.959 9.220 1.00 1.00 H new ATOM 0 HB2 PRO A 42 88.105 11.348 11.552 1.00 1.00 H new ATOM 0 HB3 PRO A 42 89.703 12.028 11.320 1.00 1.00 H new ATOM 0 HG2 PRO A 42 87.473 13.544 11.151 1.00 1.00 H new ATOM 0 HG3 PRO A 42 88.902 13.892 10.199 1.00 1.00 H new ATOM 0 HD2 PRO A 42 86.304 12.634 9.311 1.00 1.00 H new ATOM 0 HD3 PRO A 42 87.379 13.685 8.411 1.00 1.00 H new ATOM 659 N PRO A 43 89.322 8.805 10.518 1.00 1.00 N ATOM 660 CA PRO A 43 89.034 7.377 10.842 1.00 1.00 C ATOM 661 C PRO A 43 88.005 7.235 11.969 1.00 1.00 C ATOM 662 O PRO A 43 87.713 8.178 12.678 1.00 1.00 O ATOM 663 CB PRO A 43 90.392 6.827 11.280 1.00 1.00 C ATOM 664 CG PRO A 43 91.134 8.006 11.819 1.00 1.00 C ATOM 665 CD PRO A 43 90.613 9.239 11.075 1.00 1.00 C ATOM 0 HA PRO A 43 88.602 6.845 9.994 1.00 1.00 H new ATOM 0 HB2 PRO A 43 90.278 6.053 12.039 1.00 1.00 H new ATOM 0 HB3 PRO A 43 90.924 6.376 10.442 1.00 1.00 H new ATOM 0 HG2 PRO A 43 90.972 8.106 12.892 1.00 1.00 H new ATOM 0 HG3 PRO A 43 92.207 7.889 11.668 1.00 1.00 H new ATOM 0 HD2 PRO A 43 90.491 10.088 11.747 1.00 1.00 H new ATOM 0 HD3 PRO A 43 91.301 9.551 10.289 1.00 1.00 H new ATOM 673 N LYS A 44 87.453 6.064 12.139 1.00 1.00 N ATOM 674 CA LYS A 44 86.444 5.867 13.219 1.00 1.00 C ATOM 675 C LYS A 44 86.345 4.376 13.558 1.00 1.00 C ATOM 676 O LYS A 44 86.166 4.001 14.700 1.00 1.00 O ATOM 677 CB LYS A 44 85.082 6.389 12.737 1.00 1.00 C ATOM 678 CG LYS A 44 84.402 7.169 13.864 1.00 1.00 C ATOM 679 CD LYS A 44 84.032 6.211 14.998 1.00 1.00 C ATOM 680 CE LYS A 44 83.231 6.964 16.062 1.00 1.00 C ATOM 681 NZ LYS A 44 82.456 5.990 16.881 1.00 1.00 N ATOM 0 H LYS A 44 87.657 5.237 11.578 1.00 1.00 H new ATOM 0 HA LYS A 44 86.744 6.415 14.112 1.00 1.00 H new ATOM 0 HB2 LYS A 44 85.215 7.031 11.866 1.00 1.00 H new ATOM 0 HB3 LYS A 44 84.452 5.556 12.426 1.00 1.00 H new ATOM 0 HG2 LYS A 44 85.068 7.948 14.235 1.00 1.00 H new ATOM 0 HG3 LYS A 44 83.508 7.667 13.488 1.00 1.00 H new ATOM 0 HD2 LYS A 44 83.446 5.378 14.608 1.00 1.00 H new ATOM 0 HD3 LYS A 44 84.934 5.787 15.439 1.00 1.00 H new ATOM 0 HE2 LYS A 44 83.903 7.538 16.700 1.00 1.00 H new ATOM 0 HE3 LYS A 44 82.555 7.676 15.588 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 81.911 6.501 17.605 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 81.805 5.461 16.267 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 83.110 5.328 17.344 1.00 1.00 H new ATOM 695 N LYS A 45 86.462 3.521 12.577 1.00 1.00 N ATOM 696 CA LYS A 45 86.375 2.056 12.849 1.00 1.00 C ATOM 697 C LYS A 45 87.207 1.289 11.818 1.00 1.00 C ATOM 698 O LYS A 45 88.365 0.992 12.038 1.00 1.00 O ATOM 699 CB LYS A 45 84.915 1.605 12.764 1.00 1.00 C ATOM 700 CG LYS A 45 84.828 0.100 13.024 1.00 1.00 C ATOM 701 CD LYS A 45 83.398 -0.268 13.423 1.00 1.00 C ATOM 702 CE LYS A 45 83.272 -0.253 14.948 1.00 1.00 C ATOM 703 NZ LYS A 45 84.073 0.875 15.501 1.00 1.00 N ATOM 0 H LYS A 45 86.614 3.773 11.600 1.00 1.00 H new ATOM 0 HA LYS A 45 86.761 1.852 13.848 1.00 1.00 H new ATOM 0 HB2 LYS A 45 84.313 2.146 13.494 1.00 1.00 H new ATOM 0 HB3 LYS A 45 84.508 1.839 11.780 1.00 1.00 H new ATOM 0 HG2 LYS A 45 85.121 -0.451 12.131 1.00 1.00 H new ATOM 0 HG3 LYS A 45 85.522 -0.184 13.815 1.00 1.00 H new ATOM 0 HD2 LYS A 45 82.694 0.438 12.983 1.00 1.00 H new ATOM 0 HD3 LYS A 45 83.144 -1.255 13.036 1.00 1.00 H new ATOM 0 HE2 LYS A 45 82.226 -0.146 15.236 1.00 1.00 H new ATOM 0 HE3 LYS A 45 83.622 -1.199 15.362 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 83.988 0.886 16.537 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 85.072 0.754 15.237 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 83.719 1.774 15.115 1.00 1.00 H new ATOM 717 N GLY A 46 86.627 0.963 10.695 1.00 1.00 N ATOM 718 CA GLY A 46 87.387 0.212 9.654 1.00 1.00 C ATOM 719 C GLY A 46 88.372 1.152 8.956 1.00 1.00 C ATOM 720 O GLY A 46 88.078 1.716 7.920 1.00 1.00 O ATOM 0 H GLY A 46 85.661 1.184 10.453 1.00 1.00 H new ATOM 0 HA2 GLY A 46 87.924 -0.619 10.111 1.00 1.00 H new ATOM 0 HA3 GLY A 46 86.699 -0.216 8.925 1.00 1.00 H new ATOM 724 N VAL A 47 89.540 1.327 9.514 1.00 1.00 N ATOM 725 CA VAL A 47 90.542 2.232 8.882 1.00 1.00 C ATOM 726 C VAL A 47 91.448 1.424 7.948 1.00 1.00 C ATOM 727 O VAL A 47 92.025 0.428 8.337 1.00 1.00 O ATOM 728 CB VAL A 47 91.391 2.897 9.970 1.00 1.00 C ATOM 729 CG1 VAL A 47 90.475 3.500 11.036 1.00 1.00 C ATOM 730 CG2 VAL A 47 92.302 1.850 10.615 1.00 1.00 C ATOM 0 H VAL A 47 89.843 0.882 10.380 1.00 1.00 H new ATOM 0 HA VAL A 47 90.023 2.999 8.308 1.00 1.00 H new ATOM 0 HB VAL A 47 91.998 3.685 9.525 1.00 1.00 H new ATOM 0 HG11 VAL A 47 91.080 3.973 11.810 1.00 1.00 H new ATOM 0 HG12 VAL A 47 89.825 4.245 10.578 1.00 1.00 H new ATOM 0 HG13 VAL A 47 89.867 2.712 11.481 1.00 1.00 H new ATOM 0 HG21 VAL A 47 92.907 2.322 11.389 1.00 1.00 H new ATOM 0 HG22 VAL A 47 91.693 1.062 11.059 1.00 1.00 H new ATOM 0 HG23 VAL A 47 92.955 1.419 9.856 1.00 1.00 H new ATOM 740 N GLN A 48 91.577 1.846 6.719 1.00 1.00 N ATOM 741 CA GLN A 48 92.447 1.103 5.762 1.00 1.00 C ATOM 742 C GLN A 48 92.579 1.909 4.465 1.00 1.00 C ATOM 743 O GLN A 48 93.319 2.869 4.394 1.00 1.00 O ATOM 744 CB GLN A 48 91.823 -0.265 5.462 1.00 1.00 C ATOM 745 CG GLN A 48 92.781 -1.086 4.596 1.00 1.00 C ATOM 746 CD GLN A 48 92.047 -2.307 4.039 1.00 1.00 C ATOM 747 OE1 GLN A 48 92.033 -2.529 2.844 1.00 1.00 O ATOM 748 NE2 GLN A 48 91.432 -3.114 4.859 1.00 1.00 N ATOM 0 H GLN A 48 91.118 2.673 6.336 1.00 1.00 H new ATOM 0 HA GLN A 48 93.435 0.959 6.199 1.00 1.00 H new ATOM 0 HB2 GLN A 48 91.614 -0.793 6.392 1.00 1.00 H new ATOM 0 HB3 GLN A 48 90.871 -0.137 4.948 1.00 1.00 H new ATOM 0 HG2 GLN A 48 93.164 -0.475 3.779 1.00 1.00 H new ATOM 0 HG3 GLN A 48 93.641 -1.403 5.186 1.00 1.00 H new ATOM 0 HE21 GLN A 48 91.443 -2.928 5.862 1.00 1.00 H new ATOM 0 HE22 GLN A 48 90.940 -3.931 4.497 1.00 1.00 H new ATOM 757 N GLY A 49 91.867 1.526 3.439 1.00 1.00 N ATOM 758 CA GLY A 49 91.952 2.270 2.150 1.00 1.00 C ATOM 759 C GLY A 49 91.492 1.364 1.007 1.00 1.00 C ATOM 760 O GLY A 49 91.069 0.247 1.223 1.00 1.00 O ATOM 0 H GLY A 49 91.230 0.729 3.438 1.00 1.00 H new ATOM 0 HA2 GLY A 49 91.330 3.164 2.192 1.00 1.00 H new ATOM 0 HA3 GLY A 49 92.976 2.602 1.976 1.00 1.00 H new ATOM 764 N CYS A 50 91.572 1.840 -0.208 1.00 1.00 N ATOM 765 CA CYS A 50 91.145 1.013 -1.374 1.00 1.00 C ATOM 766 C CYS A 50 89.619 0.914 -1.404 1.00 1.00 C ATOM 767 O CYS A 50 89.035 0.484 -2.379 1.00 1.00 O ATOM 768 CB CYS A 50 91.749 -0.389 -1.260 1.00 1.00 C ATOM 769 SG CYS A 50 91.771 -1.171 -2.892 1.00 1.00 S ATOM 0 H CYS A 50 91.917 2.771 -0.443 1.00 1.00 H new ATOM 0 HA CYS A 50 91.494 1.482 -2.294 1.00 1.00 H new ATOM 0 HB2 CYS A 50 92.761 -0.329 -0.860 1.00 1.00 H new ATOM 0 HB3 CYS A 50 91.166 -0.992 -0.564 1.00 1.00 H new ATOM 774 N GLY A 51 88.964 1.311 -0.347 1.00 1.00 N ATOM 775 CA GLY A 51 87.475 1.239 -0.327 1.00 1.00 C ATOM 776 C GLY A 51 86.981 1.109 1.114 1.00 1.00 C ATOM 777 O GLY A 51 86.323 0.151 1.469 1.00 1.00 O ATOM 0 H GLY A 51 89.394 1.681 0.501 1.00 1.00 H new ATOM 0 HA2 GLY A 51 87.053 2.133 -0.786 1.00 1.00 H new ATOM 0 HA3 GLY A 51 87.135 0.387 -0.916 1.00 1.00 H new ATOM 781 N ASP A 52 87.288 2.065 1.948 1.00 1.00 N ATOM 782 CA ASP A 52 86.829 1.990 3.364 1.00 1.00 C ATOM 783 C ASP A 52 87.286 3.243 4.118 1.00 1.00 C ATOM 784 O ASP A 52 86.745 4.314 3.937 1.00 1.00 O ATOM 785 CB ASP A 52 87.420 0.742 4.024 1.00 1.00 C ATOM 786 CG ASP A 52 88.845 0.522 3.514 1.00 1.00 C ATOM 787 OD1 ASP A 52 89.520 1.505 3.257 1.00 1.00 O ATOM 788 OD2 ASP A 52 89.238 -0.627 3.388 1.00 1.00 O ATOM 0 H ASP A 52 87.835 2.892 1.711 1.00 1.00 H new ATOM 0 HA ASP A 52 85.741 1.932 3.393 1.00 1.00 H new ATOM 0 HB2 ASP A 52 87.424 0.858 5.108 1.00 1.00 H new ATOM 0 HB3 ASP A 52 86.803 -0.128 3.799 1.00 1.00 H new ATOM 793 N ASP A 53 88.275 3.112 4.965 1.00 1.00 N ATOM 794 CA ASP A 53 88.769 4.289 5.741 1.00 1.00 C ATOM 795 C ASP A 53 87.680 4.748 6.712 1.00 1.00 C ATOM 796 O ASP A 53 87.936 5.015 7.869 1.00 1.00 O ATOM 797 CB ASP A 53 89.128 5.433 4.789 1.00 1.00 C ATOM 798 CG ASP A 53 89.916 4.879 3.600 1.00 1.00 C ATOM 799 OD1 ASP A 53 89.330 4.155 2.812 1.00 1.00 O ATOM 800 OD2 ASP A 53 91.092 5.188 3.499 1.00 1.00 O ATOM 0 H ASP A 53 88.763 2.237 5.153 1.00 1.00 H new ATOM 0 HA ASP A 53 89.660 4.003 6.300 1.00 1.00 H new ATOM 0 HB2 ASP A 53 88.222 5.928 4.440 1.00 1.00 H new ATOM 0 HB3 ASP A 53 89.719 6.184 5.313 1.00 1.00 H new ATOM 805 N ILE A 54 86.463 4.831 6.251 1.00 1.00 N ATOM 806 CA ILE A 54 85.348 5.259 7.137 1.00 1.00 C ATOM 807 C ILE A 54 84.056 4.613 6.632 1.00 1.00 C ATOM 808 O ILE A 54 83.249 5.245 5.984 1.00 1.00 O ATOM 809 CB ILE A 54 85.229 6.790 7.090 1.00 1.00 C ATOM 810 CG1 ILE A 54 84.089 7.240 8.007 1.00 1.00 C ATOM 811 CG2 ILE A 54 84.935 7.236 5.657 1.00 1.00 C ATOM 812 CD1 ILE A 54 84.526 7.108 9.467 1.00 1.00 C ATOM 0 H ILE A 54 86.193 4.619 5.291 1.00 1.00 H new ATOM 0 HA ILE A 54 85.533 4.951 8.166 1.00 1.00 H new ATOM 0 HB ILE A 54 86.165 7.237 7.425 1.00 1.00 H new ATOM 0 HG12 ILE A 54 83.819 8.273 7.789 1.00 1.00 H new ATOM 0 HG13 ILE A 54 83.201 6.634 7.826 1.00 1.00 H new ATOM 0 HG21 ILE A 54 84.851 8.322 5.624 1.00 1.00 H new ATOM 0 HG22 ILE A 54 85.745 6.915 5.003 1.00 1.00 H new ATOM 0 HG23 ILE A 54 83.999 6.789 5.322 1.00 1.00 H new ATOM 0 HD11 ILE A 54 83.714 7.428 10.120 1.00 1.00 H new ATOM 0 HD12 ILE A 54 84.774 6.068 9.680 1.00 1.00 H new ATOM 0 HD13 ILE A 54 85.401 7.733 9.643 1.00 1.00 H new ATOM 824 N PRO A 55 83.868 3.354 6.928 1.00 1.00 N ATOM 825 CA PRO A 55 82.663 2.598 6.498 1.00 1.00 C ATOM 826 C PRO A 55 81.476 2.817 7.439 1.00 1.00 C ATOM 827 O PRO A 55 81.070 1.930 8.162 1.00 1.00 O ATOM 828 CB PRO A 55 83.134 1.144 6.535 1.00 1.00 C ATOM 829 CG PRO A 55 84.190 1.098 7.592 1.00 1.00 C ATOM 830 CD PRO A 55 84.788 2.506 7.703 1.00 1.00 C ATOM 0 HA PRO A 55 82.301 2.913 5.519 1.00 1.00 H new ATOM 0 HB2 PRO A 55 82.311 0.470 6.772 1.00 1.00 H new ATOM 0 HB3 PRO A 55 83.531 0.835 5.568 1.00 1.00 H new ATOM 0 HG2 PRO A 55 83.765 0.785 8.546 1.00 1.00 H new ATOM 0 HG3 PRO A 55 84.961 0.373 7.333 1.00 1.00 H new ATOM 0 HD2 PRO A 55 84.849 2.831 8.741 1.00 1.00 H new ATOM 0 HD3 PRO A 55 85.799 2.542 7.297 1.00 1.00 H new ATOM 838 N GLY A 56 80.919 3.997 7.434 1.00 1.00 N ATOM 839 CA GLY A 56 79.760 4.277 8.325 1.00 1.00 C ATOM 840 C GLY A 56 79.147 5.630 7.959 1.00 1.00 C ATOM 841 O GLY A 56 78.071 5.975 8.406 1.00 1.00 O ATOM 0 H GLY A 56 81.217 4.779 6.851 1.00 1.00 H new ATOM 0 HA2 GLY A 56 79.013 3.489 8.226 1.00 1.00 H new ATOM 0 HA3 GLY A 56 80.082 4.282 9.366 1.00 1.00 H new ATOM 845 N MET A 57 79.822 6.401 7.149 1.00 1.00 N ATOM 846 CA MET A 57 79.273 7.731 6.758 1.00 1.00 C ATOM 847 C MET A 57 79.882 8.168 5.422 1.00 1.00 C ATOM 848 O MET A 57 79.366 9.041 4.753 1.00 1.00 O ATOM 849 CB MET A 57 79.612 8.762 7.841 1.00 1.00 C ATOM 850 CG MET A 57 81.112 9.063 7.815 1.00 1.00 C ATOM 851 SD MET A 57 81.732 9.190 9.511 1.00 1.00 S ATOM 852 CE MET A 57 80.941 10.764 9.924 1.00 1.00 C ATOM 0 H MET A 57 80.728 6.168 6.742 1.00 1.00 H new ATOM 0 HA MET A 57 78.191 7.659 6.652 1.00 1.00 H new ATOM 0 HB2 MET A 57 79.045 9.678 7.675 1.00 1.00 H new ATOM 0 HB3 MET A 57 79.324 8.382 8.821 1.00 1.00 H new ATOM 0 HG2 MET A 57 81.643 8.275 7.281 1.00 1.00 H new ATOM 0 HG3 MET A 57 81.298 9.993 7.278 1.00 1.00 H new ATOM 0 HE1 MET A 57 81.331 11.129 10.874 1.00 1.00 H new ATOM 0 HE2 MET A 57 81.151 11.493 9.142 1.00 1.00 H new ATOM 0 HE3 MET A 57 79.864 10.620 10.005 1.00 1.00 H new ATOM 862 N GLU A 58 80.972 7.568 5.026 1.00 1.00 N ATOM 863 CA GLU A 58 81.605 7.953 3.730 1.00 1.00 C ATOM 864 C GLU A 58 82.648 6.899 3.342 1.00 1.00 C ATOM 865 O GLU A 58 82.713 5.835 3.920 1.00 1.00 O ATOM 866 CB GLU A 58 82.280 9.326 3.881 1.00 1.00 C ATOM 867 CG GLU A 58 81.586 10.340 2.969 1.00 1.00 C ATOM 868 CD GLU A 58 81.959 10.056 1.513 1.00 1.00 C ATOM 869 OE1 GLU A 58 81.286 9.246 0.897 1.00 1.00 O ATOM 870 OE2 GLU A 58 82.911 10.654 1.038 1.00 1.00 O ATOM 0 H GLU A 58 81.451 6.830 5.542 1.00 1.00 H new ATOM 0 HA GLU A 58 80.845 8.010 2.951 1.00 1.00 H new ATOM 0 HB2 GLU A 58 82.226 9.657 4.918 1.00 1.00 H new ATOM 0 HB3 GLU A 58 83.337 9.254 3.624 1.00 1.00 H new ATOM 0 HG2 GLU A 58 80.505 10.280 3.097 1.00 1.00 H new ATOM 0 HG3 GLU A 58 81.883 11.353 3.241 1.00 1.00 H new ATOM 877 N GLY A 59 83.467 7.185 2.369 1.00 1.00 N ATOM 878 CA GLY A 59 84.501 6.194 1.953 1.00 1.00 C ATOM 879 C GLY A 59 83.891 5.208 0.955 1.00 1.00 C ATOM 880 O GLY A 59 82.895 5.494 0.321 1.00 1.00 O ATOM 0 H GLY A 59 83.466 8.060 1.844 1.00 1.00 H new ATOM 0 HA2 GLY A 59 85.350 6.707 1.501 1.00 1.00 H new ATOM 0 HA3 GLY A 59 84.879 5.659 2.824 1.00 1.00 H new ATOM 884 N CYS A 60 84.483 4.051 0.810 1.00 1.00 N ATOM 885 CA CYS A 60 83.943 3.046 -0.152 1.00 1.00 C ATOM 886 C CYS A 60 83.482 3.762 -1.426 1.00 1.00 C ATOM 887 O CYS A 60 82.331 3.702 -1.807 1.00 1.00 O ATOM 888 CB CYS A 60 82.762 2.298 0.489 1.00 1.00 C ATOM 889 SG CYS A 60 82.468 2.947 2.153 1.00 1.00 S ATOM 0 H CYS A 60 85.318 3.759 1.317 1.00 1.00 H new ATOM 0 HA CYS A 60 84.721 2.326 -0.405 1.00 1.00 H new ATOM 0 HB2 CYS A 60 81.868 2.417 -0.122 1.00 1.00 H new ATOM 0 HB3 CYS A 60 82.976 1.230 0.536 1.00 1.00 H new ATOM 894 N GLY A 61 84.375 4.450 -2.082 1.00 1.00 N ATOM 895 CA GLY A 61 83.990 5.179 -3.323 1.00 1.00 C ATOM 896 C GLY A 61 83.677 4.179 -4.438 1.00 1.00 C ATOM 897 O GLY A 61 82.654 4.262 -5.089 1.00 1.00 O ATOM 0 H GLY A 61 85.355 4.539 -1.812 1.00 1.00 H new ATOM 0 HA2 GLY A 61 83.120 5.807 -3.131 1.00 1.00 H new ATOM 0 HA3 GLY A 61 84.799 5.841 -3.632 1.00 1.00 H new ATOM 901 N THR A 62 84.550 3.238 -4.669 1.00 1.00 N ATOM 902 CA THR A 62 84.300 2.239 -5.747 1.00 1.00 C ATOM 903 C THR A 62 83.177 1.290 -5.322 1.00 1.00 C ATOM 904 O THR A 62 83.225 0.104 -5.576 1.00 1.00 O ATOM 905 CB THR A 62 85.578 1.433 -6.001 1.00 1.00 C ATOM 906 OG1 THR A 62 85.387 0.588 -7.127 1.00 1.00 O ATOM 907 CG2 THR A 62 85.901 0.583 -4.771 1.00 1.00 C ATOM 0 H THR A 62 85.425 3.117 -4.159 1.00 1.00 H new ATOM 0 HA THR A 62 84.007 2.759 -6.659 1.00 1.00 H new ATOM 0 HB THR A 62 86.406 2.115 -6.195 1.00 1.00 H new ATOM 0 HG1 THR A 62 86.204 0.073 -7.292 1.00 1.00 H new ATOM 0 HG21 THR A 62 86.810 0.010 -4.953 1.00 1.00 H new ATOM 0 HG22 THR A 62 86.048 1.233 -3.908 1.00 1.00 H new ATOM 0 HG23 THR A 62 85.075 -0.100 -4.574 1.00 1.00 H new ATOM 915 N ASP A 63 82.164 1.800 -4.677 1.00 1.00 N ATOM 916 CA ASP A 63 81.043 0.919 -4.240 1.00 1.00 C ATOM 917 C ASP A 63 80.242 0.458 -5.461 1.00 1.00 C ATOM 918 O ASP A 63 79.593 -0.566 -5.433 1.00 1.00 O ATOM 919 CB ASP A 63 80.123 1.693 -3.290 1.00 1.00 C ATOM 920 CG ASP A 63 79.296 0.707 -2.463 1.00 1.00 C ATOM 921 OD1 ASP A 63 78.471 0.022 -3.045 1.00 1.00 O ATOM 922 OD2 ASP A 63 79.502 0.653 -1.262 1.00 1.00 O ATOM 0 H ASP A 63 82.064 2.786 -4.434 1.00 1.00 H new ATOM 0 HA ASP A 63 81.450 0.049 -3.725 1.00 1.00 H new ATOM 0 HB2 ASP A 63 80.715 2.329 -2.632 1.00 1.00 H new ATOM 0 HB3 ASP A 63 79.464 2.349 -3.859 1.00 1.00 H new ATOM 927 N ILE A 64 80.277 1.212 -6.529 1.00 1.00 N ATOM 928 CA ILE A 64 79.508 0.825 -7.751 1.00 1.00 C ATOM 929 C ILE A 64 80.421 0.054 -8.706 1.00 1.00 C ATOM 930 O ILE A 64 80.124 -0.112 -9.866 1.00 1.00 O ATOM 931 CB ILE A 64 78.939 2.105 -8.401 1.00 1.00 C ATOM 932 CG1 ILE A 64 78.857 1.912 -9.917 1.00 1.00 C ATOM 933 CG2 ILE A 64 79.856 3.289 -8.089 1.00 1.00 C ATOM 934 CD1 ILE A 64 80.207 2.256 -10.549 1.00 1.00 C ATOM 0 H ILE A 64 80.806 2.081 -6.608 1.00 1.00 H new ATOM 0 HA ILE A 64 78.675 0.170 -7.496 1.00 1.00 H new ATOM 0 HB ILE A 64 77.944 2.302 -8.003 1.00 1.00 H new ATOM 0 HG12 ILE A 64 78.587 0.882 -10.149 1.00 1.00 H new ATOM 0 HG13 ILE A 64 78.076 2.548 -10.334 1.00 1.00 H new ATOM 0 HG21 ILE A 64 79.453 4.192 -8.548 1.00 1.00 H new ATOM 0 HG22 ILE A 64 79.917 3.427 -7.010 1.00 1.00 H new ATOM 0 HG23 ILE A 64 80.852 3.093 -8.487 1.00 1.00 H new ATOM 0 HD11 ILE A 64 80.149 2.119 -11.629 1.00 1.00 H new ATOM 0 HD12 ILE A 64 80.458 3.293 -10.328 1.00 1.00 H new ATOM 0 HD13 ILE A 64 80.977 1.601 -10.141 1.00 1.00 H new ATOM 946 N THR A 65 81.527 -0.432 -8.211 1.00 1.00 N ATOM 947 CA THR A 65 82.476 -1.208 -9.063 1.00 1.00 C ATOM 948 C THR A 65 81.719 -1.863 -10.219 1.00 1.00 C ATOM 949 O THR A 65 81.486 -3.055 -10.230 1.00 1.00 O ATOM 950 CB THR A 65 83.154 -2.292 -8.213 1.00 1.00 C ATOM 951 OG1 THR A 65 83.350 -1.803 -6.894 1.00 1.00 O ATOM 952 CG2 THR A 65 84.505 -2.657 -8.831 1.00 1.00 C ATOM 0 H THR A 65 81.818 -0.323 -7.239 1.00 1.00 H new ATOM 0 HA THR A 65 83.232 -0.534 -9.467 1.00 1.00 H new ATOM 0 HB THR A 65 82.521 -3.179 -8.181 1.00 1.00 H new ATOM 0 HG1 THR A 65 83.676 -0.880 -6.933 1.00 1.00 H new ATOM 0 HG21 THR A 65 84.985 -3.427 -8.227 1.00 1.00 H new ATOM 0 HG22 THR A 65 84.353 -3.033 -9.843 1.00 1.00 H new ATOM 0 HG23 THR A 65 85.141 -1.772 -8.864 1.00 1.00 H new ATOM 960 N VAL A 66 81.332 -1.085 -11.192 1.00 1.00 N ATOM 961 CA VAL A 66 80.590 -1.649 -12.350 1.00 1.00 C ATOM 962 C VAL A 66 79.205 -2.125 -11.889 1.00 1.00 C ATOM 963 O VAL A 66 78.213 -1.920 -12.560 1.00 1.00 O ATOM 964 CB VAL A 66 81.385 -2.827 -12.935 1.00 1.00 C ATOM 965 CG1 VAL A 66 81.145 -2.907 -14.444 1.00 1.00 C ATOM 966 CG2 VAL A 66 82.877 -2.616 -12.668 1.00 1.00 C ATOM 0 H VAL A 66 81.499 -0.080 -11.233 1.00 1.00 H new ATOM 0 HA VAL A 66 80.465 -0.884 -13.116 1.00 1.00 H new ATOM 0 HB VAL A 66 81.058 -3.755 -12.466 1.00 1.00 H new ATOM 0 HG11 VAL A 66 81.709 -3.743 -14.858 1.00 1.00 H new ATOM 0 HG12 VAL A 66 80.082 -3.056 -14.636 1.00 1.00 H new ATOM 0 HG13 VAL A 66 81.472 -1.980 -14.914 1.00 1.00 H new ATOM 0 HG21 VAL A 66 83.442 -3.451 -13.082 1.00 1.00 H new ATOM 0 HG22 VAL A 66 83.203 -1.688 -13.138 1.00 1.00 H new ATOM 0 HG23 VAL A 66 83.050 -2.559 -11.593 1.00 1.00 H new ATOM 976 N ILE A 67 79.133 -2.751 -10.743 1.00 1.00 N ATOM 977 CA ILE A 67 77.820 -3.236 -10.221 1.00 1.00 C ATOM 978 C ILE A 67 77.737 -2.932 -8.728 1.00 1.00 C ATOM 979 O ILE A 67 78.316 -3.629 -7.919 1.00 1.00 O ATOM 980 CB ILE A 67 77.702 -4.753 -10.435 1.00 1.00 C ATOM 981 CG1 ILE A 67 77.547 -5.045 -11.929 1.00 1.00 C ATOM 982 CG2 ILE A 67 76.479 -5.282 -9.684 1.00 1.00 C ATOM 983 CD1 ILE A 67 77.739 -6.542 -12.180 1.00 1.00 C ATOM 0 H ILE A 67 79.933 -2.948 -10.142 1.00 1.00 H new ATOM 0 HA ILE A 67 77.010 -2.734 -10.751 1.00 1.00 H new ATOM 0 HB ILE A 67 78.599 -5.244 -10.058 1.00 1.00 H new ATOM 0 HG12 ILE A 67 76.561 -4.732 -12.271 1.00 1.00 H new ATOM 0 HG13 ILE A 67 78.279 -4.473 -12.500 1.00 1.00 H new ATOM 0 HG21 ILE A 67 76.396 -6.358 -9.836 1.00 1.00 H new ATOM 0 HG22 ILE A 67 76.587 -5.073 -8.620 1.00 1.00 H new ATOM 0 HG23 ILE A 67 75.581 -4.792 -10.060 1.00 1.00 H new ATOM 0 HD11 ILE A 67 77.628 -6.750 -13.244 1.00 1.00 H new ATOM 0 HD12 ILE A 67 78.735 -6.841 -11.854 1.00 1.00 H new ATOM 0 HD13 ILE A 67 76.990 -7.104 -11.621 1.00 1.00 H new ATOM 995 N CYS A 68 77.016 -1.922 -8.341 1.00 1.00 N ATOM 996 CA CYS A 68 76.912 -1.633 -6.886 1.00 1.00 C ATOM 997 C CYS A 68 76.026 -2.698 -6.232 1.00 1.00 C ATOM 998 O CYS A 68 74.944 -2.986 -6.706 1.00 1.00 O ATOM 999 CB CYS A 68 76.299 -0.245 -6.676 1.00 1.00 C ATOM 1000 SG CYS A 68 77.143 0.585 -5.307 1.00 1.00 S ATOM 0 H CYS A 68 76.501 -1.292 -8.957 1.00 1.00 H new ATOM 0 HA CYS A 68 77.904 -1.651 -6.434 1.00 1.00 H new ATOM 0 HB2 CYS A 68 76.391 0.347 -7.587 1.00 1.00 H new ATOM 0 HB3 CYS A 68 75.234 -0.335 -6.460 1.00 1.00 H new ATOM 1005 N PRO A 69 76.479 -3.300 -5.160 1.00 1.00 N ATOM 1006 CA PRO A 69 75.704 -4.365 -4.461 1.00 1.00 C ATOM 1007 C PRO A 69 74.498 -3.805 -3.703 1.00 1.00 C ATOM 1008 O PRO A 69 73.655 -4.540 -3.229 1.00 1.00 O ATOM 1009 CB PRO A 69 76.718 -4.975 -3.489 1.00 1.00 C ATOM 1010 CG PRO A 69 77.705 -3.886 -3.226 1.00 1.00 C ATOM 1011 CD PRO A 69 77.766 -3.034 -4.497 1.00 1.00 C ATOM 0 HA PRO A 69 75.286 -5.088 -5.162 1.00 1.00 H new ATOM 0 HB2 PRO A 69 76.235 -5.301 -2.568 1.00 1.00 H new ATOM 0 HB3 PRO A 69 77.202 -5.850 -3.922 1.00 1.00 H new ATOM 0 HG2 PRO A 69 77.399 -3.284 -2.370 1.00 1.00 H new ATOM 0 HG3 PRO A 69 78.685 -4.300 -2.990 1.00 1.00 H new ATOM 0 HD2 PRO A 69 77.885 -1.976 -4.264 1.00 1.00 H new ATOM 0 HD3 PRO A 69 78.608 -3.318 -5.129 1.00 1.00 H new ATOM 1019 N TRP A 70 74.412 -2.510 -3.579 1.00 1.00 N ATOM 1020 CA TRP A 70 73.263 -1.913 -2.846 1.00 1.00 C ATOM 1021 C TRP A 70 72.034 -1.850 -3.754 1.00 1.00 C ATOM 1022 O TRP A 70 71.009 -1.321 -3.374 1.00 1.00 O ATOM 1023 CB TRP A 70 73.623 -0.498 -2.389 1.00 1.00 C ATOM 1024 CG TRP A 70 72.599 -0.016 -1.412 1.00 1.00 C ATOM 1025 CD1 TRP A 70 72.458 -0.471 -0.146 1.00 1.00 C ATOM 1026 CD2 TRP A 70 71.572 1.002 -1.598 1.00 1.00 C ATOM 1027 NE1 TRP A 70 71.413 0.202 0.458 1.00 1.00 N ATOM 1028 CE2 TRP A 70 70.834 1.120 -0.395 1.00 1.00 C ATOM 1029 CE3 TRP A 70 71.214 1.825 -2.679 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 69.776 2.025 -0.272 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 70.153 2.735 -2.559 1.00 1.00 C ATOM 1032 CH2 TRP A 70 69.435 2.836 -1.360 1.00 1.00 C ATOM 0 HA TRP A 70 73.039 -2.535 -1.979 1.00 1.00 H new ATOM 0 HB2 TRP A 70 74.611 -0.493 -1.929 1.00 1.00 H new ATOM 0 HB3 TRP A 70 73.667 0.173 -3.247 1.00 1.00 H new ATOM 0 HD1 TRP A 70 73.064 -1.236 0.317 1.00 1.00 H new ATOM 0 HE1 TRP A 70 71.107 0.040 1.417 1.00 1.00 H new ATOM 0 HE3 TRP A 70 71.759 1.757 -3.609 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 69.226 2.098 0.655 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 69.888 3.362 -3.397 1.00 1.00 H new ATOM 0 HH2 TRP A 70 68.619 3.539 -1.276 1.00 1.00 H new ATOM 1043 N GLU A 71 72.116 -2.378 -4.952 1.00 1.00 N ATOM 1044 CA GLU A 71 70.932 -2.326 -5.863 1.00 1.00 C ATOM 1045 C GLU A 71 70.497 -3.746 -6.229 1.00 1.00 C ATOM 1046 O GLU A 71 69.460 -4.216 -5.804 1.00 1.00 O ATOM 1047 CB GLU A 71 71.302 -1.560 -7.134 1.00 1.00 C ATOM 1048 CG GLU A 71 71.666 -0.118 -6.775 1.00 1.00 C ATOM 1049 CD GLU A 71 70.395 0.658 -6.425 1.00 1.00 C ATOM 1050 OE1 GLU A 71 69.607 0.901 -7.324 1.00 1.00 O ATOM 1051 OE2 GLU A 71 70.231 0.996 -5.265 1.00 1.00 O ATOM 0 HA GLU A 71 70.110 -1.819 -5.358 1.00 1.00 H new ATOM 0 HB2 GLU A 71 72.142 -2.045 -7.632 1.00 1.00 H new ATOM 0 HB3 GLU A 71 70.467 -1.572 -7.834 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.356 -0.105 -5.931 1.00 1.00 H new ATOM 0 HG3 GLU A 71 72.177 0.358 -7.612 1.00 1.00 H new ATOM 1058 N ALA A 72 71.274 -4.432 -7.020 1.00 1.00 N ATOM 1059 CA ALA A 72 70.897 -5.818 -7.416 1.00 1.00 C ATOM 1060 C ALA A 72 71.189 -6.789 -6.268 1.00 1.00 C ATOM 1061 O ALA A 72 70.389 -7.647 -5.952 1.00 1.00 O ATOM 1062 CB ALA A 72 71.703 -6.231 -8.648 1.00 1.00 C ATOM 0 H ALA A 72 72.154 -4.093 -7.409 1.00 1.00 H new ATOM 0 HA ALA A 72 69.832 -5.847 -7.646 1.00 1.00 H new ATOM 0 HB1 ALA A 72 71.429 -7.245 -8.939 1.00 1.00 H new ATOM 0 HB2 ALA A 72 71.489 -5.547 -9.469 1.00 1.00 H new ATOM 0 HB3 ALA A 72 72.767 -6.196 -8.415 1.00 1.00 H new ATOM 1068 N CYS A 73 72.332 -6.670 -5.649 1.00 1.00 N ATOM 1069 CA CYS A 73 72.674 -7.598 -4.533 1.00 1.00 C ATOM 1070 C CYS A 73 71.980 -7.139 -3.247 1.00 1.00 C ATOM 1071 O CYS A 73 72.567 -7.128 -2.184 1.00 1.00 O ATOM 1072 CB CYS A 73 74.189 -7.605 -4.323 1.00 1.00 C ATOM 1073 SG CYS A 73 75.020 -7.628 -5.931 1.00 1.00 S ATOM 0 H CYS A 73 73.043 -5.972 -5.867 1.00 1.00 H new ATOM 0 HA CYS A 73 72.336 -8.604 -4.783 1.00 1.00 H new ATOM 0 HB2 CYS A 73 74.493 -6.724 -3.757 1.00 1.00 H new ATOM 0 HB3 CYS A 73 74.482 -8.477 -3.738 1.00 1.00 H new ATOM 1078 N ASN A 74 70.729 -6.774 -3.335 1.00 1.00 N ATOM 1079 CA ASN A 74 69.988 -6.331 -2.118 1.00 1.00 C ATOM 1080 C ASN A 74 70.675 -5.114 -1.488 1.00 1.00 C ATOM 1081 O ASN A 74 71.202 -4.259 -2.173 1.00 1.00 O ATOM 1082 CB ASN A 74 69.950 -7.476 -1.102 1.00 1.00 C ATOM 1083 CG ASN A 74 69.679 -8.795 -1.829 1.00 1.00 C ATOM 1084 OD1 ASN A 74 70.510 -9.790 -1.681 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 68.702 -8.921 -2.539 1.00 1.00 N flip ATOM 0 H ASN A 74 70.187 -6.763 -4.199 1.00 1.00 H new ATOM 0 HA ASN A 74 68.973 -6.054 -2.404 1.00 1.00 H new ATOM 0 HB2 ASN A 74 70.897 -7.532 -0.566 1.00 1.00 H new ATOM 0 HB3 ASN A 74 69.174 -7.292 -0.359 1.00 1.00 H new ATOM 0 HD21 ASN A 74 68.052 -8.143 -2.655 1.00 1.00 H new ATOM 0 HD22 ASN A 74 68.531 -9.804 -3.019 1.00 1.00 H new ATOM 1092 N HIS A 75 70.659 -5.029 -0.184 1.00 1.00 N ATOM 1093 CA HIS A 75 71.294 -3.868 0.507 1.00 1.00 C ATOM 1094 C HIS A 75 72.814 -4.052 0.543 1.00 1.00 C ATOM 1095 O HIS A 75 73.408 -4.586 -0.372 1.00 1.00 O ATOM 1096 CB HIS A 75 70.753 -3.781 1.940 1.00 1.00 C ATOM 1097 CG HIS A 75 70.804 -2.354 2.412 1.00 1.00 C ATOM 1098 ND1 HIS A 75 71.968 -1.777 2.898 1.00 1.00 N ATOM 1099 CD2 HIS A 75 69.843 -1.374 2.479 1.00 1.00 C ATOM 1100 CE1 HIS A 75 71.683 -0.506 3.234 1.00 1.00 C ATOM 1101 NE2 HIS A 75 70.403 -0.211 2.999 1.00 1.00 N ATOM 0 H HIS A 75 70.231 -5.717 0.435 1.00 1.00 H new ATOM 0 HA HIS A 75 71.060 -2.950 -0.033 1.00 1.00 H new ATOM 0 HB2 HIS A 75 69.728 -4.150 1.976 1.00 1.00 H new ATOM 0 HB3 HIS A 75 71.343 -4.415 2.602 1.00 1.00 H new ATOM 0 HD2 HIS A 75 68.813 -1.489 2.175 1.00 1.00 H new ATOM 0 HE1 HIS A 75 72.401 0.189 3.643 1.00 1.00 H new ATOM 0 HE2 HIS A 75 69.934 0.679 3.165 1.00 1.00 H new ATOM 1110 N CYS A 76 73.445 -3.610 1.598 1.00 1.00 N ATOM 1111 CA CYS A 76 74.925 -3.754 1.699 1.00 1.00 C ATOM 1112 C CYS A 76 75.367 -3.481 3.139 1.00 1.00 C ATOM 1113 O CYS A 76 76.536 -3.552 3.461 1.00 1.00 O ATOM 1114 CB CYS A 76 75.602 -2.753 0.760 1.00 1.00 C ATOM 1115 SG CYS A 76 77.215 -3.400 0.253 1.00 1.00 S ATOM 0 H CYS A 76 72.998 -3.155 2.394 1.00 1.00 H new ATOM 0 HA CYS A 76 75.211 -4.767 1.416 1.00 1.00 H new ATOM 0 HB2 CYS A 76 74.976 -2.578 -0.115 1.00 1.00 H new ATOM 0 HB3 CYS A 76 75.724 -1.793 1.261 1.00 1.00 H new ATOM 1120 N GLU A 77 74.447 -3.164 4.006 1.00 1.00 N ATOM 1121 CA GLU A 77 74.827 -2.881 5.419 1.00 1.00 C ATOM 1122 C GLU A 77 75.526 -4.105 6.019 1.00 1.00 C ATOM 1123 O GLU A 77 76.109 -4.905 5.315 1.00 1.00 O ATOM 1124 CB GLU A 77 73.572 -2.549 6.232 1.00 1.00 C ATOM 1125 CG GLU A 77 73.930 -1.559 7.342 1.00 1.00 C ATOM 1126 CD GLU A 77 74.011 -0.146 6.760 1.00 1.00 C ATOM 1127 OE1 GLU A 77 72.974 0.383 6.395 1.00 1.00 O ATOM 1128 OE2 GLU A 77 75.109 0.382 6.689 1.00 1.00 O ATOM 0 H GLU A 77 73.451 -3.089 3.799 1.00 1.00 H new ATOM 0 HA GLU A 77 75.508 -2.030 5.447 1.00 1.00 H new ATOM 0 HB2 GLU A 77 72.807 -2.123 5.583 1.00 1.00 H new ATOM 0 HB3 GLU A 77 73.154 -3.459 6.663 1.00 1.00 H new ATOM 0 HG2 GLU A 77 73.180 -1.596 8.132 1.00 1.00 H new ATOM 0 HG3 GLU A 77 74.883 -1.833 7.794 1.00 1.00 H new ATOM 1135 N LEU A 78 75.478 -4.256 7.317 1.00 1.00 N ATOM 1136 CA LEU A 78 76.150 -5.425 7.954 1.00 1.00 C ATOM 1137 C LEU A 78 75.435 -5.782 9.263 1.00 1.00 C ATOM 1138 O LEU A 78 75.539 -6.889 9.753 1.00 1.00 O ATOM 1139 CB LEU A 78 77.618 -5.063 8.239 1.00 1.00 C ATOM 1140 CG LEU A 78 78.504 -6.292 8.027 1.00 1.00 C ATOM 1141 CD1 LEU A 78 78.034 -7.424 8.942 1.00 1.00 C ATOM 1142 CD2 LEU A 78 78.407 -6.743 6.568 1.00 1.00 C ATOM 0 H LEU A 78 75.004 -3.622 7.961 1.00 1.00 H new ATOM 0 HA LEU A 78 76.109 -6.285 7.285 1.00 1.00 H new ATOM 0 HB2 LEU A 78 77.937 -4.255 7.581 1.00 1.00 H new ATOM 0 HB3 LEU A 78 77.721 -4.701 9.262 1.00 1.00 H new ATOM 0 HG LEU A 78 79.538 -6.040 8.263 1.00 1.00 H new ATOM 0 HD11 LEU A 78 78.665 -8.300 8.791 1.00 1.00 H new ATOM 0 HD12 LEU A 78 78.101 -7.103 9.982 1.00 1.00 H new ATOM 0 HD13 LEU A 78 77.000 -7.677 8.706 1.00 1.00 H new ATOM 0 HD21 LEU A 78 79.038 -7.619 6.415 1.00 1.00 H new ATOM 0 HD22 LEU A 78 77.373 -6.995 6.333 1.00 1.00 H new ATOM 0 HD23 LEU A 78 78.741 -5.937 5.915 1.00 1.00 H new ATOM 1154 N HIS A 79 74.706 -4.862 9.837 1.00 1.00 N ATOM 1155 CA HIS A 79 73.994 -5.174 11.111 1.00 1.00 C ATOM 1156 C HIS A 79 72.707 -4.348 11.212 1.00 1.00 C ATOM 1157 O HIS A 79 71.647 -4.872 11.494 1.00 1.00 O ATOM 1158 CB HIS A 79 74.911 -4.849 12.296 1.00 1.00 C ATOM 1159 CG HIS A 79 74.541 -5.714 13.469 1.00 1.00 C ATOM 1160 ND1 HIS A 79 75.424 -5.971 14.507 1.00 1.00 N ATOM 1161 CD2 HIS A 79 73.386 -6.390 13.783 1.00 1.00 C ATOM 1162 CE1 HIS A 79 74.796 -6.768 15.389 1.00 1.00 C ATOM 1163 NE2 HIS A 79 73.553 -7.053 14.995 1.00 1.00 N ATOM 0 H HIS A 79 74.573 -3.915 9.482 1.00 1.00 H new ATOM 0 HA HIS A 79 73.734 -6.233 11.127 1.00 1.00 H new ATOM 0 HB2 HIS A 79 75.952 -5.017 12.021 1.00 1.00 H new ATOM 0 HB3 HIS A 79 74.818 -3.796 12.563 1.00 1.00 H new ATOM 0 HD2 HIS A 79 72.488 -6.404 13.182 1.00 1.00 H new ATOM 0 HE1 HIS A 79 75.242 -7.132 16.303 1.00 1.00 H new ATOM 0 HE2 HIS A 79 72.870 -7.634 15.480 1.00 1.00 H new ATOM 1172 N GLU A 80 72.784 -3.063 10.990 1.00 1.00 N ATOM 1173 CA GLU A 80 71.556 -2.222 11.082 1.00 1.00 C ATOM 1174 C GLU A 80 70.540 -2.682 10.033 1.00 1.00 C ATOM 1175 O GLU A 80 69.554 -3.317 10.349 1.00 1.00 O ATOM 1176 CB GLU A 80 71.913 -0.751 10.842 1.00 1.00 C ATOM 1177 CG GLU A 80 73.155 -0.386 11.658 1.00 1.00 C ATOM 1178 CD GLU A 80 73.278 1.136 11.747 1.00 1.00 C ATOM 1179 OE1 GLU A 80 72.291 1.773 12.077 1.00 1.00 O ATOM 1180 OE2 GLU A 80 74.358 1.639 11.485 1.00 1.00 O ATOM 0 H GLU A 80 73.639 -2.562 10.750 1.00 1.00 H new ATOM 0 HA GLU A 80 71.123 -2.327 12.077 1.00 1.00 H new ATOM 0 HB2 GLU A 80 72.098 -0.579 9.782 1.00 1.00 H new ATOM 0 HB3 GLU A 80 71.077 -0.112 11.127 1.00 1.00 H new ATOM 0 HG2 GLU A 80 73.085 -0.815 12.658 1.00 1.00 H new ATOM 0 HG3 GLU A 80 74.046 -0.807 11.192 1.00 1.00 H new ATOM 1187 N LEU A 81 70.770 -2.364 8.787 1.00 1.00 N ATOM 1188 CA LEU A 81 69.816 -2.781 7.718 1.00 1.00 C ATOM 1189 C LEU A 81 70.290 -4.092 7.084 1.00 1.00 C ATOM 1190 O LEU A 81 69.972 -4.393 5.950 1.00 1.00 O ATOM 1191 CB LEU A 81 69.737 -1.689 6.642 1.00 1.00 C ATOM 1192 CG LEU A 81 69.979 -0.321 7.282 1.00 1.00 C ATOM 1193 CD1 LEU A 81 69.700 0.780 6.257 1.00 1.00 C ATOM 1194 CD2 LEU A 81 69.043 -0.148 8.481 1.00 1.00 C ATOM 0 H LEU A 81 71.578 -1.833 8.463 1.00 1.00 H new ATOM 0 HA LEU A 81 68.829 -2.929 8.156 1.00 1.00 H new ATOM 0 HB2 LEU A 81 70.479 -1.875 5.865 1.00 1.00 H new ATOM 0 HB3 LEU A 81 68.759 -1.709 6.160 1.00 1.00 H new ATOM 0 HG LEU A 81 71.015 -0.254 7.614 1.00 1.00 H new ATOM 0 HD11 LEU A 81 69.873 1.755 6.714 1.00 1.00 H new ATOM 0 HD12 LEU A 81 70.364 0.657 5.401 1.00 1.00 H new ATOM 0 HD13 LEU A 81 68.664 0.714 5.925 1.00 1.00 H new ATOM 0 HD21 LEU A 81 69.214 0.826 8.938 1.00 1.00 H new ATOM 0 HD22 LEU A 81 68.008 -0.215 8.147 1.00 1.00 H new ATOM 0 HD23 LEU A 81 69.240 -0.932 9.212 1.00 1.00 H new ATOM 1206 N ALA A 82 71.042 -4.877 7.804 1.00 1.00 N ATOM 1207 CA ALA A 82 71.526 -6.170 7.239 1.00 1.00 C ATOM 1208 C ALA A 82 70.338 -7.114 7.048 1.00 1.00 C ATOM 1209 O ALA A 82 70.465 -8.317 7.157 1.00 1.00 O ATOM 1210 CB ALA A 82 72.538 -6.800 8.203 1.00 1.00 C ATOM 0 H ALA A 82 71.343 -4.680 8.759 1.00 1.00 H new ATOM 0 HA ALA A 82 72.007 -5.994 6.277 1.00 1.00 H new ATOM 0 HB1 ALA A 82 72.893 -7.745 7.792 1.00 1.00 H new ATOM 0 HB2 ALA A 82 73.382 -6.123 8.338 1.00 1.00 H new ATOM 0 HB3 ALA A 82 72.060 -6.980 9.166 1.00 1.00 H new ATOM 1216 N GLN A 83 69.184 -6.576 6.759 1.00 1.00 N ATOM 1217 CA GLN A 83 67.986 -7.438 6.556 1.00 1.00 C ATOM 1218 C GLN A 83 68.371 -8.626 5.681 1.00 1.00 C ATOM 1219 O GLN A 83 68.478 -9.744 6.143 1.00 1.00 O ATOM 1220 CB GLN A 83 66.887 -6.632 5.859 1.00 1.00 C ATOM 1221 CG GLN A 83 66.705 -5.291 6.572 1.00 1.00 C ATOM 1222 CD GLN A 83 66.401 -5.535 8.051 1.00 1.00 C ATOM 1223 OE1 GLN A 83 65.406 -6.146 8.386 1.00 1.00 O ATOM 1224 NE2 GLN A 83 67.223 -5.081 8.957 1.00 1.00 N ATOM 0 H GLN A 83 69.020 -5.575 6.655 1.00 1.00 H new ATOM 0 HA GLN A 83 67.620 -7.790 7.520 1.00 1.00 H new ATOM 0 HB2 GLN A 83 67.150 -6.467 4.814 1.00 1.00 H new ATOM 0 HB3 GLN A 83 65.951 -7.190 5.868 1.00 1.00 H new ATOM 0 HG2 GLN A 83 67.607 -4.688 6.470 1.00 1.00 H new ATOM 0 HG3 GLN A 83 65.892 -4.729 6.111 1.00 1.00 H new ATOM 0 HE21 GLN A 83 68.059 -4.568 8.676 1.00 1.00 H new ATOM 0 HE22 GLN A 83 67.030 -5.239 9.946 1.00 1.00 H new ATOM 1233 N TYR A 84 68.593 -8.389 4.420 1.00 1.00 N ATOM 1234 CA TYR A 84 68.983 -9.503 3.522 1.00 1.00 C ATOM 1235 C TYR A 84 70.304 -10.092 4.013 1.00 1.00 C ATOM 1236 O TYR A 84 70.448 -11.292 4.133 1.00 1.00 O ATOM 1237 CB TYR A 84 69.155 -8.977 2.096 1.00 1.00 C ATOM 1238 CG TYR A 84 67.880 -8.301 1.652 1.00 1.00 C ATOM 1239 CD1 TYR A 84 67.649 -6.959 1.979 1.00 1.00 C ATOM 1240 CD2 TYR A 84 66.928 -9.015 0.915 1.00 1.00 C ATOM 1241 CE1 TYR A 84 66.467 -6.332 1.567 1.00 1.00 C ATOM 1242 CE2 TYR A 84 65.746 -8.388 0.504 1.00 1.00 C ATOM 1243 CZ TYR A 84 65.516 -7.047 0.830 1.00 1.00 C ATOM 1244 OH TYR A 84 64.350 -6.428 0.424 1.00 1.00 O ATOM 0 H TYR A 84 68.521 -7.474 3.975 1.00 1.00 H new ATOM 0 HA TYR A 84 68.210 -10.271 3.528 1.00 1.00 H new ATOM 0 HB2 TYR A 84 69.986 -8.273 2.054 1.00 1.00 H new ATOM 0 HB3 TYR A 84 69.398 -9.798 1.421 1.00 1.00 H new ATOM 0 HD1 TYR A 84 68.382 -6.408 2.549 1.00 1.00 H new ATOM 0 HD2 TYR A 84 67.106 -10.050 0.663 1.00 1.00 H new ATOM 0 HE1 TYR A 84 66.289 -5.297 1.818 1.00 1.00 H new ATOM 0 HE2 TYR A 84 65.012 -8.939 -0.065 1.00 1.00 H new ATOM 0 HH TYR A 84 63.799 -7.065 -0.078 1.00 1.00 H new ATOM 1254 N GLY A 85 71.272 -9.255 4.297 1.00 1.00 N ATOM 1255 CA GLY A 85 72.592 -9.766 4.776 1.00 1.00 C ATOM 1256 C GLY A 85 72.980 -10.983 3.940 1.00 1.00 C ATOM 1257 O GLY A 85 73.807 -11.787 4.325 1.00 1.00 O ATOM 0 H GLY A 85 71.204 -8.240 4.217 1.00 1.00 H new ATOM 0 HA2 GLY A 85 73.352 -8.990 4.688 1.00 1.00 H new ATOM 0 HA3 GLY A 85 72.532 -10.036 5.830 1.00 1.00 H new ATOM 1261 N ILE A 86 72.366 -11.126 2.798 1.00 1.00 N ATOM 1262 CA ILE A 86 72.659 -12.291 1.923 1.00 1.00 C ATOM 1263 C ILE A 86 73.745 -11.913 0.912 1.00 1.00 C ATOM 1264 O ILE A 86 73.522 -11.160 -0.016 1.00 1.00 O ATOM 1265 CB ILE A 86 71.362 -12.713 1.210 1.00 1.00 C ATOM 1266 CG1 ILE A 86 71.527 -14.128 0.651 1.00 1.00 C ATOM 1267 CG2 ILE A 86 71.070 -11.744 0.063 1.00 1.00 C ATOM 1268 CD1 ILE A 86 70.164 -14.664 0.208 1.00 1.00 C ATOM 0 H ILE A 86 71.668 -10.479 2.432 1.00 1.00 H new ATOM 0 HA ILE A 86 73.025 -13.129 2.516 1.00 1.00 H new ATOM 0 HB ILE A 86 70.535 -12.695 1.920 1.00 1.00 H new ATOM 0 HG12 ILE A 86 72.218 -14.119 -0.192 1.00 1.00 H new ATOM 0 HG13 ILE A 86 71.958 -14.782 1.409 1.00 1.00 H new ATOM 0 HG21 ILE A 86 70.151 -12.044 -0.441 1.00 1.00 H new ATOM 0 HG22 ILE A 86 70.954 -10.735 0.459 1.00 1.00 H new ATOM 0 HG23 ILE A 86 71.896 -11.762 -0.648 1.00 1.00 H new ATOM 0 HD11 ILE A 86 70.281 -15.672 -0.190 1.00 1.00 H new ATOM 0 HD12 ILE A 86 69.487 -14.688 1.062 1.00 1.00 H new ATOM 0 HD13 ILE A 86 69.751 -14.015 -0.564 1.00 1.00 H new ATOM 1280 N CYS A 87 74.928 -12.426 1.097 1.00 1.00 N ATOM 1281 CA CYS A 87 76.040 -12.100 0.160 1.00 1.00 C ATOM 1282 C CYS A 87 75.614 -12.430 -1.272 1.00 1.00 C ATOM 1283 CB CYS A 87 77.272 -12.927 0.530 1.00 1.00 C ATOM 1284 SG CYS A 87 78.642 -12.491 -0.570 1.00 1.00 S ATOM 0 H CYS A 87 75.174 -13.059 1.858 1.00 1.00 H new ATOM 0 HA CYS A 87 76.278 -11.039 0.231 1.00 1.00 H new ATOM 0 HB2 CYS A 87 77.551 -12.741 1.567 1.00 1.00 H new ATOM 0 HB3 CYS A 87 77.048 -13.990 0.446 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 61.182 0.681 4.291 1.00 1.00 C HETATM 1291 O1G RCY A 110 60.705 3.007 -0.103 1.00 1.00 O HETATM 1292 O1H RCY A 110 61.241 3.496 4.563 1.00 1.00 O HETATM 1293 O1J RCY A 110 59.600 -0.905 2.278 1.00 1.00 O HETATM 1294 C1L RCY A 110 59.728 4.529 1.544 1.00 1.00 C HETATM 1295 C1M RCY A 110 62.573 1.075 0.885 1.00 1.00 C HETATM 1296 C1P RCY A 110 60.599 3.359 1.071 1.00 1.00 C HETATM 1297 C1Q RCY A 110 60.749 3.432 3.437 1.00 1.00 C HETATM 1298 N1R RCY A 110 61.319 2.685 2.238 1.00 1.00 N HETATM 1299 C1S RCY A 110 59.457 4.087 2.986 1.00 1.00 C HETATM 1300 C1U RCY A 110 62.347 1.552 2.219 1.00 1.00 C HETATM 1301 C1V RCY A 110 63.018 -0.684 3.199 1.00 1.00 C HETATM 1302 N1V RCY A 110 60.870 -0.248 1.986 1.00 1.00 N HETATM 1303 C1W RCY A 110 61.484 0.029 0.615 1.00 1.00 C HETATM 1304 C1X RCY A 110 61.878 0.313 2.979 1.00 1.00 C HETATM 1305 C1Y RCY A 110 62.097 -1.248 0.034 1.00 1.00 C HETATM 1306 C1Z RCY A 110 60.403 0.580 -0.315 1.00 1.00 C HETATM 0 H1ZB RCY A 110 59.939 1.453 0.144 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 60.852 0.866 -1.266 1.00 1.00 H new HETATM 0 H1YB RCY A 110 62.603 -1.015 -0.903 1.00 1.00 H new HETATM 0 H1YA RCY A 110 62.816 -1.661 0.742 1.00 1.00 H new HETATM 0 H1VB RCY A 110 63.759 -0.247 3.868 1.00 1.00 H new HETATM 0 H1VA RCY A 110 62.622 -1.597 3.643 1.00 1.00 H new HETATM 0 H1MA RCY A 110 62.516 1.891 0.165 1.00 1.00 H new HETATM 0 H1LA RCY A 110 60.249 5.485 1.491 1.00 1.00 H new HETATM 0 H1CB RCY A 110 61.874 1.231 4.928 1.00 1.00 H new HETATM 0 H1CA RCY A 110 60.312 1.302 4.079 1.00 1.00 H new HETATM 0 H1Z RCY A 110 59.646 -0.185 -0.487 1.00 1.00 H new HETATM 0 H1Y RCY A 110 61.309 -1.978 -0.151 1.00 1.00 H new HETATM 0 H1V RCY A 110 63.486 -0.919 2.243 1.00 1.00 H new HETATM 0 H1U RCY A 110 63.236 1.989 2.674 1.00 1.00 H new HETATM 0 H1S RCY A 110 58.621 3.389 3.036 1.00 1.00 H new HETATM 0 H1M RCY A 110 63.566 0.636 0.791 1.00 1.00 H new HETATM 0 H1L RCY A 110 58.813 4.631 0.960 1.00 1.00 H new HETATM 0 H1C RCY A 110 60.864 -0.228 4.801 1.00 1.00 H new HETATM 1309 C1C RCY A 121 63.490 6.075 -4.036 1.00 1.00 C HETATM 1310 O1G RCY A 121 63.940 4.381 -7.924 1.00 1.00 O HETATM 1311 O1H RCY A 121 60.101 4.538 -5.179 1.00 1.00 O HETATM 1312 O1J RCY A 121 65.978 6.064 -5.733 1.00 1.00 O HETATM 1313 C1L RCY A 121 62.349 2.682 -7.171 1.00 1.00 C HETATM 1314 C1M RCY A 121 62.761 7.194 -7.487 1.00 1.00 C HETATM 1315 C1P RCY A 121 62.953 4.090 -7.251 1.00 1.00 C HETATM 1316 C1Q RCY A 121 61.154 4.184 -5.707 1.00 1.00 C HETATM 1317 N1R RCY A 121 62.176 5.084 -6.390 1.00 1.00 N HETATM 1318 C1S RCY A 121 61.677 2.762 -5.796 1.00 1.00 C HETATM 1319 C1U RCY A 121 62.366 6.595 -6.244 1.00 1.00 C HETATM 1320 C1V RCY A 121 63.480 8.449 -4.927 1.00 1.00 C HETATM 1321 N1V RCY A 121 64.704 6.641 -6.153 1.00 1.00 N HETATM 1322 C1W RCY A 121 64.286 7.056 -7.562 1.00 1.00 C HETATM 1323 C1X RCY A 121 63.496 6.961 -5.284 1.00 1.00 C HETATM 1324 C1Y RCY A 121 64.930 8.393 -7.939 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.698 5.963 -8.549 1.00 1.00 C HETATM 0 H1ZB RCY A 121 64.279 5.008 -8.230 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 64.324 6.210 -9.542 1.00 1.00 H new HETATM 0 H1YB RCY A 121 64.557 8.715 -8.911 1.00 1.00 H new HETATM 0 H1YA RCY A 121 64.680 9.142 -7.188 1.00 1.00 H new HETATM 0 H1VB RCY A 121 62.582 8.676 -4.352 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.362 8.690 -4.333 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.283 6.694 -8.329 1.00 1.00 H new HETATM 0 H1LA RCY A 121 61.637 2.487 -7.973 1.00 1.00 H new HETATM 0 H1CB RCY A 121 62.543 6.193 -3.510 1.00 1.00 H new HETATM 0 H1CA RCY A 121 63.614 5.033 -4.329 1.00 1.00 H new HETATM 0 H1Z RCY A 121 65.785 5.891 -8.579 1.00 1.00 H new HETATM 0 H1Y RCY A 121 66.012 8.275 -7.987 1.00 1.00 H new HETATM 0 H1V RCY A 121 63.485 9.043 -5.841 1.00 1.00 H new HETATM 0 H1U RCY A 121 61.402 6.953 -5.884 1.00 1.00 H new HETATM 0 H1S RCY A 121 62.386 2.550 -4.996 1.00 1.00 H new HETATM 0 H1M RCY A 121 62.462 8.242 -7.527 1.00 1.00 H new HETATM 0 H1L RCY A 121 63.106 1.900 -7.220 1.00 1.00 H new HETATM 0 H1C RCY A 121 64.309 6.367 -3.378 1.00 1.00 H new HETATM 1328 C1C RCY A 130 78.350 8.106 -3.194 1.00 1.00 C HETATM 1329 O1G RCY A 130 74.569 7.795 -4.234 1.00 1.00 O HETATM 1330 O1H RCY A 130 77.394 5.183 -6.971 1.00 1.00 O HETATM 1331 O1J RCY A 130 80.029 6.233 -1.540 1.00 1.00 O HETATM 1332 C1L RCY A 130 74.629 7.353 -6.640 1.00 1.00 C HETATM 1333 C1M RCY A 130 77.497 4.574 -3.893 1.00 1.00 C HETATM 1334 C1P RCY A 130 75.122 7.255 -5.190 1.00 1.00 C HETATM 1335 C1Q RCY A 130 76.687 6.094 -6.544 1.00 1.00 C HETATM 1336 N1R RCY A 130 76.386 6.403 -5.083 1.00 1.00 N HETATM 1337 C1S RCY A 130 75.950 7.123 -7.382 1.00 1.00 C HETATM 1338 C1U RCY A 130 77.157 5.967 -3.836 1.00 1.00 C HETATM 1339 C1V RCY A 130 79.317 6.605 -4.994 1.00 1.00 C HETATM 1340 N1V RCY A 130 79.154 5.803 -2.627 1.00 1.00 N HETATM 1341 C1W RCY A 130 78.686 4.384 -2.942 1.00 1.00 C HETATM 1342 C1X RCY A 130 78.507 6.670 -3.698 1.00 1.00 C HETATM 1343 C1Y RCY A 130 79.802 3.592 -3.627 1.00 1.00 C HETATM 1344 C1Z RCY A 130 78.256 3.699 -1.645 1.00 1.00 C HETATM 0 H1ZB RCY A 130 77.505 4.309 -1.143 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 77.835 2.720 -1.873 1.00 1.00 H new HETATM 0 H1YB RCY A 130 79.425 2.612 -3.921 1.00 1.00 H new HETATM 0 H1YA RCY A 130 80.140 4.131 -4.512 1.00 1.00 H new HETATM 0 H1VB RCY A 130 78.813 7.184 -5.768 1.00 1.00 H new HETATM 0 H1VA RCY A 130 80.312 7.017 -4.822 1.00 1.00 H new HETATM 0 H1MA RCY A 130 76.653 3.955 -3.589 1.00 1.00 H new HETATM 0 H1LA RCY A 130 73.880 6.598 -6.878 1.00 1.00 H new HETATM 0 H1CB RCY A 130 77.739 8.673 -3.896 1.00 1.00 H new HETATM 0 H1CA RCY A 130 77.867 8.098 -2.217 1.00 1.00 H new HETATM 0 H1Z RCY A 130 79.121 3.579 -0.993 1.00 1.00 H new HETATM 0 H1Y RCY A 130 80.636 3.468 -2.937 1.00 1.00 H new HETATM 0 H1V RCY A 130 79.404 5.568 -5.317 1.00 1.00 H new HETATM 0 H1U RCY A 130 76.490 6.211 -3.009 1.00 1.00 H new HETATM 0 H1S RCY A 130 76.522 8.047 -7.468 1.00 1.00 H new HETATM 0 H1M RCY A 130 77.760 4.279 -4.909 1.00 1.00 H new HETATM 0 H1L RCY A 130 74.187 8.323 -6.866 1.00 1.00 H new HETATM 0 H1C RCY A 130 79.332 8.571 -3.109 1.00 1.00 H new HETATM 1347 C1C RCY A 138 80.888 4.464 2.674 1.00 1.00 C HETATM 1348 O1G RCY A 138 80.177 6.042 1.562 1.00 1.00 O HETATM 1349 O1H RCY A 138 84.216 6.689 -0.799 1.00 1.00 O HETATM 1350 O1J RCY A 138 79.629 3.048 0.333 1.00 1.00 O HETATM 1351 C1L RCY A 138 81.013 7.846 0.135 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.405 3.665 0.082 1.00 1.00 C HETATM 1353 C1P RCY A 138 81.092 6.511 0.886 1.00 1.00 C HETATM 1354 C1Q RCY A 138 83.212 6.880 -0.115 1.00 1.00 C HETATM 1355 N1R RCY A 138 82.448 5.835 0.690 1.00 1.00 N HETATM 1356 C1S RCY A 138 82.502 8.207 0.083 1.00 1.00 C HETATM 1357 C1U RCY A 138 82.927 4.465 1.173 1.00 1.00 C HETATM 1358 C1V RCY A 138 82.347 2.397 2.516 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.069 3.202 0.518 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.172 2.973 -0.513 1.00 1.00 C HETATM 1361 C1X RCY A 138 81.805 3.625 1.781 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.431 1.476 -0.698 1.00 1.00 C HETATM 1363 C1Z RCY A 138 81.760 3.616 -1.838 1.00 1.00 C HETATM 0 H1ZB RCY A 138 81.522 4.667 -1.674 1.00 1.00 H new HETATM 0 H1YB RCY A 138 83.275 1.333 -1.372 1.00 1.00 H new HETATM 0 H1VB RCY A 138 82.918 2.717 3.387 1.00 1.00 H new HETATM 0 H1LA RCY A 138 80.574 7.741 -0.857 1.00 1.00 H new HETATM 0 H1CB RCY A 138 81.470 4.898 3.487 1.00 1.00 H new HETATM 0 H1CA RCY A 138 80.437 5.262 2.084 1.00 1.00 H new HETATM 0 H1Z RCY A 138 80.884 3.103 -2.234 1.00 1.00 H new HETATM 0 H1Y RCY A 138 81.545 1.003 -1.121 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.993 1.829 1.847 1.00 1.00 H new HETATM 0 H1S RCY A 138 82.824 8.695 1.003 1.00 1.00 H new HETATM 0 H1C RCY A 138 80.103 3.830 3.087 1.00 1.00 H new HETATM 1366 C1C RCY A 150 85.291 -3.309 -2.554 1.00 1.00 C HETATM 1367 O1G RCY A 150 87.396 -2.482 -5.246 1.00 1.00 O HETATM 1368 O1H RCY A 150 90.387 -3.583 -1.761 1.00 1.00 O HETATM 1369 O1J RCY A 150 84.504 -5.778 -1.019 1.00 1.00 O HETATM 1370 C1L RCY A 150 89.567 -1.587 -4.557 1.00 1.00 C HETATM 1371 C1M RCY A 150 88.180 -5.575 -2.092 1.00 1.00 C HETATM 1372 C1P RCY A 150 88.337 -2.499 -4.455 1.00 1.00 C HETATM 1373 C1Q RCY A 150 89.707 -2.954 -2.572 1.00 1.00 C HETATM 1374 N1R RCY A 150 88.427 -3.430 -3.247 1.00 1.00 N HETATM 1375 C1S RCY A 150 89.992 -1.555 -3.085 1.00 1.00 C HETATM 1376 C1U RCY A 150 87.481 -4.553 -2.817 1.00 1.00 C HETATM 1377 C1V RCY A 150 87.000 -3.281 -0.681 1.00 1.00 C HETATM 1378 N1V RCY A 150 85.882 -5.422 -1.345 1.00 1.00 N HETATM 1379 C1W RCY A 150 87.121 -6.311 -1.262 1.00 1.00 C HETATM 1380 C1X RCY A 150 86.404 -4.081 -1.842 1.00 1.00 C HETATM 1381 C1Y RCY A 150 87.580 -6.456 0.191 1.00 1.00 C HETATM 1382 C1Z RCY A 150 86.796 -7.679 -1.864 1.00 1.00 C HETATM 0 H1ZB RCY A 150 86.414 -7.549 -2.877 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 87.699 -8.288 -1.892 1.00 1.00 H new HETATM 0 H1YB RCY A 150 88.510 -7.023 0.224 1.00 1.00 H new HETATM 0 H1YA RCY A 150 87.742 -5.468 0.622 1.00 1.00 H new HETATM 0 H1VB RCY A 150 87.419 -2.349 -1.059 1.00 1.00 H new HETATM 0 H1VA RCY A 150 86.219 -3.059 0.047 1.00 1.00 H new HETATM 0 H1MA RCY A 150 88.685 -6.259 -2.773 1.00 1.00 H new HETATM 0 H1LA RCY A 150 90.340 -1.999 -5.206 1.00 1.00 H new HETATM 0 H1CB RCY A 150 85.713 -2.433 -3.047 1.00 1.00 H new HETATM 0 H1CA RCY A 150 84.820 -3.952 -3.298 1.00 1.00 H new HETATM 0 H1Z RCY A 150 86.042 -8.176 -1.253 1.00 1.00 H new HETATM 0 H1Y RCY A 150 86.815 -6.981 0.764 1.00 1.00 H new HETATM 0 H1V RCY A 150 87.786 -3.865 -0.203 1.00 1.00 H new HETATM 0 H1U RCY A 150 87.048 -4.911 -3.751 1.00 1.00 H new HETATM 0 H1S RCY A 150 89.430 -0.806 -2.527 1.00 1.00 H new HETATM 0 H1M RCY A 150 88.946 -5.142 -1.449 1.00 1.00 H new HETATM 0 H1L RCY A 150 89.322 -0.597 -4.942 1.00 1.00 H new HETATM 0 H1C RCY A 150 84.545 -2.991 -1.825 1.00 1.00 H new HETATM 1385 C1C RCY A 160 77.416 -1.086 3.435 1.00 1.00 C HETATM 1386 O1G RCY A 160 77.943 0.941 3.533 1.00 1.00 O HETATM 1387 O1H RCY A 160 81.706 0.417 0.728 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.714 0.282 1.361 1.00 1.00 O HETATM 1389 C1L RCY A 160 79.914 2.325 3.098 1.00 1.00 C HETATM 1390 C1M RCY A 160 78.967 -1.297 0.082 1.00 1.00 C HETATM 1391 C1P RCY A 160 79.020 1.086 2.957 1.00 1.00 C HETATM 1392 C1Q RCY A 160 80.984 0.683 1.688 1.00 1.00 C HETATM 1393 N1R RCY A 160 79.635 0.054 2.012 1.00 1.00 N HETATM 1394 C1S RCY A 160 81.277 1.703 2.773 1.00 1.00 C HETATM 1395 C1U RCY A 160 79.054 -1.271 1.514 1.00 1.00 C HETATM 1396 C1V RCY A 160 77.159 -2.937 1.722 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.880 -0.540 1.050 1.00 1.00 N HETATM 1398 C1W RCY A 160 77.632 -0.630 -0.276 1.00 1.00 C HETATM 1399 C1X RCY A 160 77.616 -1.499 1.976 1.00 1.00 C HETATM 1400 C1Y RCY A 160 76.853 -1.489 -1.277 1.00 1.00 C HETATM 1401 C1Z RCY A 160 77.846 0.780 -0.827 1.00 1.00 C HETATM 0 H1ZB RCY A 160 78.349 1.391 -0.077 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 78.460 0.730 -1.726 1.00 1.00 H new HETATM 0 H1YB RCY A 160 77.442 -1.612 -2.186 1.00 1.00 H new HETATM 0 H1YA RCY A 160 76.653 -2.467 -0.839 1.00 1.00 H new HETATM 0 H1MA RCY A 160 79.803 -0.762 -0.369 1.00 1.00 H new HETATM 0 H1LA RCY A 160 79.641 3.118 2.402 1.00 1.00 H new HETATM 0 H1Z RCY A 160 76.882 1.226 -1.071 1.00 1.00 H new HETATM 0 H1M RCY A 160 79.004 -2.320 -0.292 1.00 1.00 H new HETATM 1404 C1C RCY A 168 71.884 -1.369 -3.992 1.00 1.00 C HETATM 1405 O1G RCY A 168 75.924 -0.468 -0.428 1.00 1.00 O HETATM 1406 O1H RCY A 168 74.209 0.249 -4.769 1.00 1.00 O HETATM 1407 O1J RCY A 168 69.430 -0.890 -2.315 1.00 1.00 O HETATM 1408 C1L RCY A 168 76.954 0.188 -2.548 1.00 1.00 C HETATM 1409 C1M RCY A 168 72.768 0.127 -0.725 1.00 1.00 C HETATM 1410 C1P RCY A 168 75.803 -0.245 -1.631 1.00 1.00 C HETATM 1411 C1Q RCY A 168 74.928 -0.094 -3.831 1.00 1.00 C HETATM 1412 N1R RCY A 168 74.487 -0.363 -2.398 1.00 1.00 N HETATM 1413 C1S RCY A 168 76.427 -0.327 -3.892 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.084 -0.673 -1.873 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.151 1.090 -3.434 1.00 1.00 C HETATM 1416 N1V RCY A 168 70.762 -0.397 -1.975 1.00 1.00 N HETATM 1417 C1W RCY A 168 71.237 0.160 -0.635 1.00 1.00 C HETATM 1418 C1X RCY A 168 71.985 -0.326 -2.877 1.00 1.00 C HETATM 1419 C1Y RCY A 168 70.740 1.596 -0.445 1.00 1.00 C HETATM 1420 C1Z RCY A 168 70.727 -0.740 0.491 1.00 1.00 C HETATM 0 H1ZB RCY A 168 71.041 -1.767 0.306 1.00 1.00 H new HETATM 0 H1MA RCY A 168 73.202 -0.301 0.179 1.00 1.00 H new HETATM 0 H1Z RCY A 168 69.639 -0.694 0.528 1.00 1.00 H new HETATM 0 H1S RCY A 168 76.659 -1.383 -4.030 1.00 1.00 H new HETATM 1423 C1C RCY A 173 74.429 -3.497 -1.984 1.00 1.00 C HETATM 1424 O1G RCY A 173 75.359 -2.691 -7.314 1.00 1.00 O HETATM 1425 O1H RCY A 173 74.876 -5.657 -3.671 1.00 1.00 O HETATM 1426 O1J RCY A 173 74.067 -0.611 -1.202 1.00 1.00 O HETATM 1427 C1L RCY A 173 75.088 -5.118 -7.155 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.132 -1.242 -4.832 1.00 1.00 C HETATM 1429 C1P RCY A 173 75.251 -3.693 -6.609 1.00 1.00 C HETATM 1430 C1Q RCY A 173 75.215 -5.159 -4.744 1.00 1.00 C HETATM 1431 N1R RCY A 173 75.263 -3.674 -5.082 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.664 -5.916 -5.980 1.00 1.00 C HETATM 1433 C1U RCY A 173 75.311 -2.479 -4.128 1.00 1.00 C HETATM 1434 C1V RCY A 173 72.814 -2.709 -3.773 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.277 -1.068 -2.573 1.00 1.00 N HETATM 1436 C1W RCY A 173 74.648 -0.224 -3.791 1.00 1.00 C HETATM 1437 C1X RCY A 173 74.174 -2.490 -3.107 1.00 1.00 C HETATM 1438 C1Y RCY A 173 73.423 0.535 -4.310 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.761 0.750 -3.406 1.00 1.00 C HETATM 0 H1MA RCY A 173 76.066 -0.916 -5.290 1.00 1.00 H new HETATM 0 H1LA RCY A 173 74.048 -5.370 -7.361 1.00 1.00 H new HETATM 0 H1CA RCY A 173 75.352 -3.238 -1.465 1.00 1.00 H new HETATM 0 H1Z RCY A 173 75.386 1.458 -2.667 1.00 1.00 H new HETATM 0 H1U RCY A 173 76.285 -2.559 -3.645 1.00 1.00 H new HETATM 0 H1S RCY A 173 76.751 -5.974 -6.036 1.00 1.00 H new HETATM 0 H1M RCY A 173 74.404 -1.353 -5.636 1.00 1.00 H new HETATM 0 H1L RCY A 173 75.643 -5.277 -8.080 1.00 1.00 H new HETATM 0 H1C RCY A 173 73.598 -3.474 -1.279 1.00 1.00 H new HETATM 1442 C1C RCY A 176 80.147 1.706 4.235 1.00 1.00 C HETATM 1443 O1G RCY A 176 80.361 0.270 1.997 1.00 1.00 O HETATM 1444 O1H RCY A 176 76.294 -2.011 2.750 1.00 1.00 O HETATM 1445 O1J RCY A 176 79.482 2.056 7.151 1.00 1.00 O HETATM 1446 C1L RCY A 176 79.127 -1.419 0.726 1.00 1.00 C HETATM 1447 C1M RCY A 176 77.451 -0.604 5.279 1.00 1.00 C HETATM 1448 C1P RCY A 176 79.395 -0.489 1.916 1.00 1.00 C HETATM 1449 C1Q RCY A 176 77.455 -1.751 2.436 1.00 1.00 C HETATM 1450 N1R RCY A 176 78.315 -0.620 2.988 1.00 1.00 N HETATM 1451 C1S RCY A 176 78.299 -2.504 1.424 1.00 1.00 C HETATM 1452 C1U RCY A 176 78.133 0.173 4.283 1.00 1.00 C HETATM 1453 C1V RCY A 176 80.384 -0.674 5.075 1.00 1.00 C HETATM 1454 N1V RCY A 176 78.966 0.974 6.319 1.00 1.00 N HETATM 1455 C1W RCY A 176 77.810 0.025 6.631 1.00 1.00 C HETATM 1456 C1X RCY A 176 79.460 0.539 4.946 1.00 1.00 C HETATM 1457 C1Y RCY A 176 78.255 -1.051 7.625 1.00 1.00 C HETATM 1458 C1Z RCY A 176 76.641 0.831 7.197 1.00 1.00 C HETATM 0 H1ZB RCY A 176 76.379 1.629 6.502 1.00 1.00 H new HETATM 0 H1YB RCY A 176 77.446 -1.767 7.773 1.00 1.00 H new HETATM 0 H1YA RCY A 176 79.131 -1.569 7.233 1.00 1.00 H new HETATM 0 H1VB RCY A 176 80.685 -1.009 4.083 1.00 1.00 H new HETATM 0 H1VA RCY A 176 81.269 -0.398 5.649 1.00 1.00 H new HETATM 0 H1MA RCY A 176 76.373 -0.587 5.116 1.00 1.00 H new HETATM 0 H1LA RCY A 176 78.577 -0.925 -0.075 1.00 1.00 H new HETATM 0 H1Z RCY A 176 76.928 1.264 8.156 1.00 1.00 H new HETATM 0 H1Y RCY A 176 78.505 -0.585 8.578 1.00 1.00 H new HETATM 0 H1V RCY A 176 79.857 -1.480 5.586 1.00 1.00 H new HETATM 0 H1M RCY A 176 77.763 -1.648 5.240 1.00 1.00 H new HETATM 0 H1L RCY A 176 80.045 -1.811 0.288 1.00 1.00 H new HETATM 0 H1C RCY A 176 81.087 1.935 4.737 1.00 1.00 H new HETATM 1461 C1C RCY A 187 75.924 -5.929 -0.398 1.00 1.00 C HETATM 1462 O1G RCY A 187 75.790 -8.338 -1.578 1.00 1.00 O HETATM 1463 O1H RCY A 187 78.835 -10.288 1.459 1.00 1.00 O HETATM 1464 O1J RCY A 187 77.140 -3.752 1.289 1.00 1.00 O HETATM 1465 C1L RCY A 187 76.836 -10.546 -1.440 1.00 1.00 C HETATM 1466 C1M RCY A 187 78.598 -7.264 1.784 1.00 1.00 C HETATM 1467 C1P RCY A 187 76.572 -9.098 -1.008 1.00 1.00 C HETATM 1468 C1Q RCY A 187 78.253 -9.962 0.426 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.400 -8.716 0.218 1.00 1.00 N HETATM 1470 C1S RCY A 187 78.252 -10.731 -0.882 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.385 -7.422 1.033 1.00 1.00 C HETATM 1472 C1V RCY A 187 78.383 -6.204 -0.951 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.679 -5.105 1.186 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.721 -5.766 2.087 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.329 -6.171 0.158 1.00 1.00 C HETATM 1476 C1Y RCY A 187 80.125 -5.260 1.743 1.00 1.00 C HETATM 1477 C1Z RCY A 187 78.383 -5.465 3.547 1.00 1.00 C HETATM 0 H1ZB RCY A 187 77.360 -5.778 3.756 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 79.068 -6.008 4.198 1.00 1.00 H new HETATM 0 H1YB RCY A 187 80.862 -5.802 2.336 1.00 1.00 H new HETATM 0 H1YA RCY A 187 80.321 -5.423 0.683 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.150 -7.007 -1.651 1.00 1.00 H new HETATM 0 H1VA RCY A 187 78.385 -5.251 -1.480 1.00 1.00 H new HETATM 0 H1MA RCY A 187 78.564 -7.846 2.705 1.00 1.00 H new HETATM 0 H1LA RCY A 187 76.122 -11.247 -1.008 1.00 1.00 H new HETATM 0 H1CB RCY A 187 75.620 -6.783 -1.003 1.00 1.00 H new HETATM 0 H1CA RCY A 187 75.223 -5.801 0.427 1.00 1.00 H new HETATM 0 H1Z RCY A 187 78.480 -4.395 3.730 1.00 1.00 H new HETATM 0 H1Y RCY A 187 80.192 -4.195 1.965 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.366 -6.378 -0.514 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.500 -7.512 1.663 1.00 1.00 H new HETATM 0 H1S RCY A 187 79.003 -10.343 -1.570 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.457 -7.618 1.215 1.00 1.00 H new HETATM 0 H1L RCY A 187 76.793 -10.673 -2.522 1.00 1.00 H new HETATM 0 H1C RCY A 187 75.927 -5.030 -1.015 1.00 1.00 H new