USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=17 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 168 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 74 ASNHD21 : A 74 ASN ND2 : A 173 RCY C1L :(H bumps) USER MOD NoAdj-H: A 74 ASNHD22 : A 74 ASN ND2 : A 173 RCY C1L :(H bumps) USER MOD NoAdj-H: A 75 HIS H : A 75 HIS N : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 75 HIS HD1 : A 75 HIS ND1 : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YB : A 110 RCY C1Y : A 121 RCY O1J :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YA : A 110 RCY C1Y : A 121 RCY C1W :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VA : A 110 RCY C1V : A 121 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1Y : A 110 RCY C1Y : A 121 RCY O1J :(H bumps) USER MOD NoAdj-H: A 110 RCY H1V : A 110 RCY C1V : A 121 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 12 SER OG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1ZB : A 121 RCY C1Z : A 110 RCY O1J :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YB : A 121 RCY C1Y : A 110 RCY C1V :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCY H1Z : A 121 RCY C1Z : A 110 RCY N1V :(H bumps) USER MOD NoAdj-H: A 121 RCY H1Y : A 121 RCY C1Y : A 110 RCY C1V :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1CA : A 130 RCY C1C : A 160 RCY C1U :(H bumps) USER MOD NoAdj-H: A 130 RCY H1S : A 130 RCY C1S : A 160 RCY C1L :(H bumps) USER MOD NoAdj-H: A 130 RCY H1L : A 130 RCY C1L : A 160 RCY C1S :(H bumps) USER MOD NoAdj-H: A 130 RCY H1C : A 130 RCY C1C : A 160 RCY C1U :(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 RCY H1Y : A 138 RCY C1Y : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1L : A 150 RCY C1L : A 50 CYS O :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1MA : A 160 RCY C1M : A 130 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CB : A 160 RCY C1C : A 130 RCY N1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CA : A 160 RCY C1C : A 130 RCY N1V :(H bumps) USER MOD NoAdj-H: A 160 RCY H1U : A 160 RCY C1U : A 130 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCY H1S : A 160 RCY C1S : A 130 RCY C1L :(H bumps) USER MOD NoAdj-H: A 160 RCY H1M : A 160 RCY C1M : A 130 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCY H1L : A 160 RCY C1L : A 130 RCY C1S :(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 RCYH1MA : A 168 RCY C1M : A 69 PRO C :(H bumps) USER MOD NoAdj-H: A 168 RCY H1M : A 168 RCY C1M : A 69 PRO C :(H bumps) USER MOD NoAdj-H: A 168 RCY H1L : A 168 RCY C1L : A 70 TRP CB :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 75 HIS ND1 :(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 RCYH1LA : A 173 RCY C1L : A 74 ASN CG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 75 HIS N :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 74 ASN CA :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 75 HIS ND1 :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 74 ASN ND2 :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 75 HIS N :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 67 ILE C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 138 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CB : A 176 RCY C1C : A 71 GLU CB :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 71 GLU CB :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 67 ILE C :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 138 RCY C1Y :(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 35 THR OG1 : rot 70:sc= -1.19! USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.00601 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.00611 (180deg=-1.52!) USER MOD Single : A 2 ASN : amide:sc= -1.9! C(o=-1.9!,f=-8.2!) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.224) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc=-0.00179 (180deg=-0.0666) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -2.68! C(o=-2.7!,f=-4.1!) USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc=-0.00019 (180deg=-0.347) USER MOD Single : A 40 SER OG : rot -155:sc= -0.237 USER MOD Single : A 41 LYS NZ :NH3+ -107:sc= -3.32! (180deg=-6.11!) USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -0.109 (180deg=-0.595) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0533 (180deg=-0.4) USER MOD Single : A 48 GLN :FLIP amide:sc=-0.00171 F(o=-1.2!,f=-0.0017) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= 0.248 K(o=0.25,f=-0.86) USER MOD Single : A 83 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.55) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 50.584 -11.943 0.847 1.00 1.00 N ATOM 2 CA MET A 1 50.696 -13.311 0.267 1.00 1.00 C ATOM 3 C MET A 1 51.816 -14.075 0.976 1.00 1.00 C ATOM 4 O MET A 1 51.653 -15.213 1.367 1.00 1.00 O ATOM 5 CB MET A 1 51.014 -13.208 -1.226 1.00 1.00 C ATOM 6 CG MET A 1 50.048 -12.223 -1.888 1.00 1.00 C ATOM 7 SD MET A 1 50.565 -10.529 -1.514 1.00 1.00 S ATOM 8 CE MET A 1 49.135 -9.690 -2.240 1.00 1.00 C ATOM 0 H1 MET A 1 49.587 -11.737 1.060 1.00 1.00 H new ATOM 0 H2 MET A 1 51.143 -11.890 1.722 1.00 1.00 H new ATOM 0 H3 MET A 1 50.944 -11.246 0.164 1.00 1.00 H new ATOM 0 HA MET A 1 49.753 -13.841 0.401 1.00 1.00 H new ATOM 0 HB2 MET A 1 52.042 -12.875 -1.367 1.00 1.00 H new ATOM 0 HB3 MET A 1 50.929 -14.188 -1.695 1.00 1.00 H new ATOM 0 HG2 MET A 1 50.033 -12.381 -2.966 1.00 1.00 H new ATOM 0 HG3 MET A 1 49.034 -12.393 -1.527 1.00 1.00 H new ATOM 0 HE1 MET A 1 49.246 -8.612 -2.120 1.00 1.00 H new ATOM 0 HE2 MET A 1 49.071 -9.932 -3.301 1.00 1.00 H new ATOM 0 HE3 MET A 1 48.226 -10.019 -1.737 1.00 1.00 H new ATOM 17 N ASN A 2 52.954 -13.457 1.145 1.00 1.00 N ATOM 18 CA ASN A 2 54.083 -14.149 1.828 1.00 1.00 C ATOM 19 C ASN A 2 55.082 -13.110 2.342 1.00 1.00 C ATOM 20 O ASN A 2 55.786 -13.336 3.306 1.00 1.00 O ATOM 21 CB ASN A 2 54.783 -15.083 0.838 1.00 1.00 C ATOM 22 CG ASN A 2 55.110 -14.316 -0.445 1.00 1.00 C ATOM 23 OD1 ASN A 2 54.330 -13.502 -0.896 1.00 1.00 O ATOM 24 ND2 ASN A 2 56.241 -14.544 -1.056 1.00 1.00 N ATOM 0 H ASN A 2 53.150 -12.504 0.840 1.00 1.00 H new ATOM 0 HA ASN A 2 53.699 -14.730 2.666 1.00 1.00 H new ATOM 0 HB2 ASN A 2 55.697 -15.479 1.280 1.00 1.00 H new ATOM 0 HB3 ASN A 2 54.143 -15.936 0.611 1.00 1.00 H new ATOM 0 HD21 ASN A 2 56.469 -14.038 -1.912 1.00 1.00 H new ATOM 0 HD22 ASN A 2 56.896 -15.228 -0.677 1.00 1.00 H new ATOM 31 N LEU A 3 55.148 -11.972 1.707 1.00 1.00 N ATOM 32 CA LEU A 3 56.102 -10.920 2.160 1.00 1.00 C ATOM 33 C LEU A 3 55.656 -9.562 1.609 1.00 1.00 C ATOM 34 O LEU A 3 56.030 -9.169 0.522 1.00 1.00 O ATOM 35 CB LEU A 3 57.509 -11.255 1.646 1.00 1.00 C ATOM 36 CG LEU A 3 58.557 -10.621 2.562 1.00 1.00 C ATOM 37 CD1 LEU A 3 58.263 -9.128 2.719 1.00 1.00 C ATOM 38 CD2 LEU A 3 58.509 -11.296 3.934 1.00 1.00 C ATOM 0 H LEU A 3 54.583 -11.725 0.894 1.00 1.00 H new ATOM 0 HA LEU A 3 56.118 -10.879 3.249 1.00 1.00 H new ATOM 0 HB2 LEU A 3 57.647 -12.336 1.613 1.00 1.00 H new ATOM 0 HB3 LEU A 3 57.632 -10.887 0.627 1.00 1.00 H new ATOM 0 HG LEU A 3 59.547 -10.752 2.126 1.00 1.00 H new ATOM 0 HD11 LEU A 3 59.010 -8.677 3.372 1.00 1.00 H new ATOM 0 HD12 LEU A 3 58.296 -8.646 1.742 1.00 1.00 H new ATOM 0 HD13 LEU A 3 57.273 -8.996 3.155 1.00 1.00 H new ATOM 0 HD21 LEU A 3 59.256 -10.845 4.588 1.00 1.00 H new ATOM 0 HD22 LEU A 3 57.518 -11.165 4.370 1.00 1.00 H new ATOM 0 HD23 LEU A 3 58.719 -12.360 3.824 1.00 1.00 H new ATOM 50 N GLU A 4 54.857 -8.844 2.350 1.00 1.00 N ATOM 51 CA GLU A 4 54.386 -7.514 1.870 1.00 1.00 C ATOM 52 C GLU A 4 55.393 -6.434 2.294 1.00 1.00 C ATOM 53 O GLU A 4 55.596 -6.208 3.471 1.00 1.00 O ATOM 54 CB GLU A 4 53.023 -7.206 2.495 1.00 1.00 C ATOM 55 CG GLU A 4 52.431 -5.956 1.841 1.00 1.00 C ATOM 56 CD GLU A 4 50.952 -5.837 2.211 1.00 1.00 C ATOM 57 OE1 GLU A 4 50.253 -6.832 2.103 1.00 1.00 O ATOM 58 OE2 GLU A 4 50.542 -4.755 2.596 1.00 1.00 O ATOM 0 H GLU A 4 54.510 -9.121 3.268 1.00 1.00 H new ATOM 0 HA GLU A 4 54.298 -7.527 0.784 1.00 1.00 H new ATOM 0 HB2 GLU A 4 52.350 -8.053 2.361 1.00 1.00 H new ATOM 0 HB3 GLU A 4 53.130 -7.051 3.569 1.00 1.00 H new ATOM 0 HG2 GLU A 4 52.972 -5.069 2.172 1.00 1.00 H new ATOM 0 HG3 GLU A 4 52.542 -6.012 0.758 1.00 1.00 H new ATOM 65 N PRO A 5 56.023 -5.769 1.353 1.00 1.00 N ATOM 66 CA PRO A 5 57.018 -4.702 1.664 1.00 1.00 C ATOM 67 C PRO A 5 56.529 -3.768 2.780 1.00 1.00 C ATOM 68 O PRO A 5 55.343 -3.637 3.010 1.00 1.00 O ATOM 69 CB PRO A 5 57.152 -3.944 0.342 1.00 1.00 C ATOM 70 CG PRO A 5 56.845 -4.955 -0.714 1.00 1.00 C ATOM 71 CD PRO A 5 55.861 -5.956 -0.098 1.00 1.00 C ATOM 0 HA PRO A 5 57.961 -5.110 2.027 1.00 1.00 H new ATOM 0 HB2 PRO A 5 56.460 -3.103 0.297 1.00 1.00 H new ATOM 0 HB3 PRO A 5 58.156 -3.537 0.220 1.00 1.00 H new ATOM 0 HG2 PRO A 5 56.411 -4.477 -1.592 1.00 1.00 H new ATOM 0 HG3 PRO A 5 57.754 -5.459 -1.042 1.00 1.00 H new ATOM 0 HD2 PRO A 5 54.837 -5.755 -0.414 1.00 1.00 H new ATOM 0 HD3 PRO A 5 56.092 -6.978 -0.397 1.00 1.00 H new ATOM 79 N PRO A 6 57.436 -3.125 3.469 1.00 1.00 N ATOM 80 CA PRO A 6 57.088 -2.190 4.579 1.00 1.00 C ATOM 81 C PRO A 6 56.373 -0.932 4.072 1.00 1.00 C ATOM 82 O PRO A 6 56.407 -0.618 2.899 1.00 1.00 O ATOM 83 CB PRO A 6 58.444 -1.829 5.200 1.00 1.00 C ATOM 84 CG PRO A 6 59.450 -2.083 4.126 1.00 1.00 C ATOM 85 CD PRO A 6 58.890 -3.215 3.264 1.00 1.00 C ATOM 0 HA PRO A 6 56.398 -2.645 5.289 1.00 1.00 H new ATOM 0 HB2 PRO A 6 58.465 -0.787 5.520 1.00 1.00 H new ATOM 0 HB3 PRO A 6 58.647 -2.437 6.081 1.00 1.00 H new ATOM 0 HG2 PRO A 6 59.615 -1.186 3.529 1.00 1.00 H new ATOM 0 HG3 PRO A 6 60.413 -2.362 4.555 1.00 1.00 H new ATOM 0 HD2 PRO A 6 59.155 -3.087 2.214 1.00 1.00 H new ATOM 0 HD3 PRO A 6 59.279 -4.185 3.575 1.00 1.00 H new ATOM 93 N LYS A 7 55.727 -0.213 4.948 1.00 1.00 N ATOM 94 CA LYS A 7 55.011 1.021 4.519 1.00 1.00 C ATOM 95 C LYS A 7 56.031 2.105 4.166 1.00 1.00 C ATOM 96 O LYS A 7 55.859 3.263 4.493 1.00 1.00 O ATOM 97 CB LYS A 7 54.114 1.511 5.659 1.00 1.00 C ATOM 98 CG LYS A 7 54.856 1.371 6.990 1.00 1.00 C ATOM 99 CD LYS A 7 54.147 2.202 8.060 1.00 1.00 C ATOM 100 CE LYS A 7 54.622 1.762 9.446 1.00 1.00 C ATOM 101 NZ LYS A 7 56.097 1.949 9.549 1.00 1.00 N ATOM 0 H LYS A 7 55.664 -0.427 5.943 1.00 1.00 H new ATOM 0 HA LYS A 7 54.398 0.802 3.644 1.00 1.00 H new ATOM 0 HB2 LYS A 7 53.835 2.552 5.494 1.00 1.00 H new ATOM 0 HB3 LYS A 7 53.190 0.933 5.683 1.00 1.00 H new ATOM 0 HG2 LYS A 7 54.890 0.324 7.291 1.00 1.00 H new ATOM 0 HG3 LYS A 7 55.888 1.705 6.880 1.00 1.00 H new ATOM 0 HD2 LYS A 7 54.357 3.261 7.911 1.00 1.00 H new ATOM 0 HD3 LYS A 7 53.067 2.076 7.977 1.00 1.00 H new ATOM 0 HE2 LYS A 7 54.116 2.344 10.217 1.00 1.00 H new ATOM 0 HE3 LYS A 7 54.365 0.716 9.615 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 56.380 1.931 10.550 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 56.581 1.183 9.038 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 56.361 2.864 9.131 1.00 1.00 H new ATOM 115 N ALA A 8 57.094 1.740 3.502 1.00 1.00 N ATOM 116 CA ALA A 8 58.123 2.751 3.131 1.00 1.00 C ATOM 117 C ALA A 8 58.587 3.491 4.387 1.00 1.00 C ATOM 118 O ALA A 8 58.334 3.068 5.498 1.00 1.00 O ATOM 119 CB ALA A 8 57.521 3.754 2.144 1.00 1.00 C ATOM 0 H ALA A 8 57.294 0.786 3.201 1.00 1.00 H new ATOM 0 HA ALA A 8 58.973 2.250 2.668 1.00 1.00 H new ATOM 0 HB1 ALA A 8 58.274 4.494 1.872 1.00 1.00 H new ATOM 0 HB2 ALA A 8 57.189 3.229 1.249 1.00 1.00 H new ATOM 0 HB3 ALA A 8 56.671 4.255 2.607 1.00 1.00 H new ATOM 125 N GLU A 9 59.264 4.593 4.220 1.00 1.00 N ATOM 126 CA GLU A 9 59.743 5.360 5.404 1.00 1.00 C ATOM 127 C GLU A 9 60.096 6.786 4.975 1.00 1.00 C ATOM 128 O GLU A 9 60.514 7.022 3.858 1.00 1.00 O ATOM 129 CB GLU A 9 60.982 4.676 5.987 1.00 1.00 C ATOM 130 CG GLU A 9 61.216 5.174 7.415 1.00 1.00 C ATOM 131 CD GLU A 9 62.359 4.381 8.051 1.00 1.00 C ATOM 132 OE1 GLU A 9 62.344 3.166 7.942 1.00 1.00 O ATOM 133 OE2 GLU A 9 63.231 5.002 8.637 1.00 1.00 O ATOM 0 H GLU A 9 59.506 4.996 3.315 1.00 1.00 H new ATOM 0 HA GLU A 9 58.959 5.393 6.161 1.00 1.00 H new ATOM 0 HB2 GLU A 9 60.848 3.594 5.985 1.00 1.00 H new ATOM 0 HB3 GLU A 9 61.854 4.890 5.368 1.00 1.00 H new ATOM 0 HG2 GLU A 9 61.458 6.237 7.406 1.00 1.00 H new ATOM 0 HG3 GLU A 9 60.307 5.059 8.005 1.00 1.00 H new ATOM 140 N CYS A 10 59.928 7.739 5.850 1.00 1.00 N ATOM 141 CA CYS A 10 60.252 9.148 5.488 1.00 1.00 C ATOM 142 C CYS A 10 60.530 9.951 6.761 1.00 1.00 C ATOM 143 O CYS A 10 61.666 10.177 7.128 1.00 1.00 O ATOM 144 CB CYS A 10 59.069 9.766 4.740 1.00 1.00 C ATOM 145 SG CYS A 10 59.154 9.305 2.992 1.00 1.00 S ATOM 0 H CYS A 10 59.581 7.603 6.799 1.00 1.00 H new ATOM 0 HA CYS A 10 61.135 9.166 4.849 1.00 1.00 H new ATOM 0 HB2 CYS A 10 58.130 9.420 5.173 1.00 1.00 H new ATOM 0 HB3 CYS A 10 59.087 10.851 4.842 1.00 1.00 H new ATOM 150 N ARG A 11 59.501 10.385 7.437 1.00 1.00 N ATOM 151 CA ARG A 11 59.709 11.174 8.683 1.00 1.00 C ATOM 152 C ARG A 11 60.682 12.321 8.402 1.00 1.00 C ATOM 153 O ARG A 11 61.147 12.988 9.305 1.00 1.00 O ATOM 154 CB ARG A 11 60.290 10.268 9.772 1.00 1.00 C ATOM 155 CG ARG A 11 59.267 9.192 10.143 1.00 1.00 C ATOM 156 CD ARG A 11 58.048 9.849 10.793 1.00 1.00 C ATOM 157 NE ARG A 11 57.033 10.157 9.747 1.00 1.00 N ATOM 158 CZ ARG A 11 56.227 9.221 9.324 1.00 1.00 C ATOM 159 NH1 ARG A 11 56.311 8.016 9.819 1.00 1.00 N ATOM 160 NH2 ARG A 11 55.338 9.490 8.408 1.00 1.00 N ATOM 0 H ARG A 11 58.527 10.227 7.180 1.00 1.00 H new ATOM 0 HA ARG A 11 58.755 11.579 9.020 1.00 1.00 H new ATOM 0 HB2 ARG A 11 61.211 9.803 9.420 1.00 1.00 H new ATOM 0 HB3 ARG A 11 60.547 10.858 10.651 1.00 1.00 H new ATOM 0 HG2 ARG A 11 58.965 8.640 9.253 1.00 1.00 H new ATOM 0 HG3 ARG A 11 59.714 8.471 10.828 1.00 1.00 H new ATOM 0 HD2 ARG A 11 57.621 9.185 11.545 1.00 1.00 H new ATOM 0 HD3 ARG A 11 58.345 10.763 11.307 1.00 1.00 H new ATOM 0 HE ARG A 11 56.968 11.099 9.361 1.00 1.00 H new ATOM 0 HH11 ARG A 11 57.006 7.806 10.536 1.00 1.00 H new ATOM 0 HH12 ARG A 11 55.682 7.284 9.489 1.00 1.00 H new ATOM 0 HH21 ARG A 11 55.272 10.432 8.022 1.00 1.00 H new ATOM 0 HH22 ARG A 11 54.709 8.758 8.078 1.00 1.00 H new ATOM 174 N SER A 12 60.992 12.555 7.152 1.00 1.00 N ATOM 175 CA SER A 12 61.935 13.658 6.799 1.00 1.00 C ATOM 176 C SER A 12 61.199 14.705 5.960 1.00 1.00 C ATOM 177 O SER A 12 61.228 15.883 6.255 1.00 1.00 O ATOM 178 CB SER A 12 63.102 13.090 5.993 1.00 1.00 C ATOM 179 OG SER A 12 62.636 12.688 4.712 1.00 1.00 O ATOM 0 H SER A 12 60.631 12.027 6.358 1.00 1.00 H new ATOM 0 HA SER A 12 62.313 14.121 7.710 1.00 1.00 H new ATOM 0 HB2 SER A 12 63.886 13.840 5.889 1.00 1.00 H new ATOM 0 HB3 SER A 12 63.541 12.240 6.516 1.00 1.00 H new ATOM 185 N ALA A 13 60.539 14.283 4.915 1.00 1.00 N ATOM 186 CA ALA A 13 59.799 15.251 4.055 1.00 1.00 C ATOM 187 C ALA A 13 60.737 16.384 3.629 1.00 1.00 C ATOM 188 O ALA A 13 61.345 16.335 2.579 1.00 1.00 O ATOM 189 CB ALA A 13 58.618 15.830 4.838 1.00 1.00 C ATOM 0 H ALA A 13 60.480 13.308 4.620 1.00 1.00 H new ATOM 0 HA ALA A 13 59.430 14.737 3.168 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.077 16.538 4.210 1.00 1.00 H new ATOM 0 HB2 ALA A 13 57.948 15.023 5.136 1.00 1.00 H new ATOM 0 HB3 ALA A 13 58.987 16.342 5.727 1.00 1.00 H new ATOM 195 N THR A 14 60.856 17.404 4.437 1.00 1.00 N ATOM 196 CA THR A 14 61.752 18.545 4.083 1.00 1.00 C ATOM 197 C THR A 14 62.587 18.934 5.305 1.00 1.00 C ATOM 198 O THR A 14 62.374 19.964 5.913 1.00 1.00 O ATOM 199 CB THR A 14 60.903 19.740 3.643 1.00 1.00 C ATOM 200 OG1 THR A 14 59.939 19.309 2.693 1.00 1.00 O ATOM 201 CG2 THR A 14 61.803 20.804 3.014 1.00 1.00 C ATOM 0 H THR A 14 60.370 17.497 5.329 1.00 1.00 H new ATOM 0 HA THR A 14 62.415 18.250 3.269 1.00 1.00 H new ATOM 0 HB THR A 14 60.395 20.164 4.509 1.00 1.00 H new ATOM 0 HG1 THR A 14 59.393 20.073 2.411 1.00 1.00 H new ATOM 0 HG21 THR A 14 61.197 21.654 2.701 1.00 1.00 H new ATOM 0 HG22 THR A 14 62.542 21.134 3.745 1.00 1.00 H new ATOM 0 HG23 THR A 14 62.313 20.383 2.147 1.00 1.00 H new ATOM 209 N ARG A 15 63.536 18.116 5.668 1.00 1.00 N ATOM 210 CA ARG A 15 64.386 18.434 6.850 1.00 1.00 C ATOM 211 C ARG A 15 65.613 17.520 6.851 1.00 1.00 C ATOM 212 O ARG A 15 66.399 17.518 7.777 1.00 1.00 O ATOM 213 CB ARG A 15 63.577 18.213 8.132 1.00 1.00 C ATOM 214 CG ARG A 15 64.241 18.959 9.291 1.00 1.00 C ATOM 215 CD ARG A 15 63.360 18.852 10.538 1.00 1.00 C ATOM 216 NE ARG A 15 63.849 19.805 11.574 1.00 1.00 N ATOM 217 CZ ARG A 15 64.874 19.491 12.318 1.00 1.00 C ATOM 218 NH1 ARG A 15 65.471 18.342 12.154 1.00 1.00 N ATOM 219 NH2 ARG A 15 65.302 20.326 13.225 1.00 1.00 N ATOM 0 H ARG A 15 63.760 17.240 5.196 1.00 1.00 H new ATOM 0 HA ARG A 15 64.709 19.474 6.802 1.00 1.00 H new ATOM 0 HB2 ARG A 15 62.555 18.568 7.995 1.00 1.00 H new ATOM 0 HB3 ARG A 15 63.517 17.148 8.358 1.00 1.00 H new ATOM 0 HG2 ARG A 15 65.226 18.538 9.492 1.00 1.00 H new ATOM 0 HG3 ARG A 15 64.389 20.006 9.026 1.00 1.00 H new ATOM 0 HD2 ARG A 15 62.323 19.074 10.284 1.00 1.00 H new ATOM 0 HD3 ARG A 15 63.382 17.834 10.926 1.00 1.00 H new ATOM 0 HE ARG A 15 63.382 20.703 11.702 1.00 1.00 H new ATOM 0 HH11 ARG A 15 65.136 17.690 11.445 1.00 1.00 H new ATOM 0 HH12 ARG A 15 66.272 18.096 12.735 1.00 1.00 H new ATOM 0 HH21 ARG A 15 64.835 21.224 13.352 1.00 1.00 H new ATOM 0 HH22 ARG A 15 66.103 20.081 13.807 1.00 1.00 H new ATOM 233 N VAL A 16 65.784 16.740 5.817 1.00 1.00 N ATOM 234 CA VAL A 16 66.959 15.826 5.760 1.00 1.00 C ATOM 235 C VAL A 16 68.243 16.649 5.621 1.00 1.00 C ATOM 236 O VAL A 16 68.665 16.985 4.533 1.00 1.00 O ATOM 237 CB VAL A 16 66.818 14.877 4.562 1.00 1.00 C ATOM 238 CG1 VAL A 16 66.581 15.692 3.289 1.00 1.00 C ATOM 239 CG2 VAL A 16 68.101 14.057 4.409 1.00 1.00 C ATOM 0 H VAL A 16 65.161 16.697 5.011 1.00 1.00 H new ATOM 0 HA VAL A 16 67.005 15.239 6.678 1.00 1.00 H new ATOM 0 HB VAL A 16 65.974 14.207 4.727 1.00 1.00 H new ATOM 0 HG11 VAL A 16 66.481 15.018 2.439 1.00 1.00 H new ATOM 0 HG12 VAL A 16 65.668 16.278 3.397 1.00 1.00 H new ATOM 0 HG13 VAL A 16 67.425 16.362 3.123 1.00 1.00 H new ATOM 0 HG21 VAL A 16 68.002 13.382 3.559 1.00 1.00 H new ATOM 0 HG22 VAL A 16 68.944 14.728 4.244 1.00 1.00 H new ATOM 0 HG23 VAL A 16 68.272 13.476 5.315 1.00 1.00 H new ATOM 249 N MET A 17 68.867 16.974 6.720 1.00 1.00 N ATOM 250 CA MET A 17 70.123 17.773 6.659 1.00 1.00 C ATOM 251 C MET A 17 70.742 17.843 8.058 1.00 1.00 C ATOM 252 O MET A 17 70.730 18.873 8.703 1.00 1.00 O ATOM 253 CB MET A 17 69.805 19.188 6.159 1.00 1.00 C ATOM 254 CG MET A 17 71.060 19.805 5.539 1.00 1.00 C ATOM 255 SD MET A 17 72.363 19.909 6.790 1.00 1.00 S ATOM 256 CE MET A 17 73.749 20.163 5.655 1.00 1.00 C ATOM 0 H MET A 17 68.560 16.720 7.659 1.00 1.00 H new ATOM 0 HA MET A 17 70.828 17.302 5.974 1.00 1.00 H new ATOM 0 HB2 MET A 17 69.002 19.153 5.422 1.00 1.00 H new ATOM 0 HB3 MET A 17 69.453 19.806 6.985 1.00 1.00 H new ATOM 0 HG2 MET A 17 71.397 19.201 4.697 1.00 1.00 H new ATOM 0 HG3 MET A 17 70.835 20.798 5.149 1.00 1.00 H new ATOM 0 HE1 MET A 17 74.674 20.255 6.225 1.00 1.00 H new ATOM 0 HE2 MET A 17 73.824 19.313 4.977 1.00 1.00 H new ATOM 0 HE3 MET A 17 73.585 21.074 5.079 1.00 1.00 H new ATOM 266 N GLY A 18 71.279 16.752 8.533 1.00 1.00 N ATOM 267 CA GLY A 18 71.894 16.752 9.892 1.00 1.00 C ATOM 268 C GLY A 18 70.836 16.367 10.927 1.00 1.00 C ATOM 269 O GLY A 18 70.276 15.290 10.879 1.00 1.00 O ATOM 0 H GLY A 18 71.319 15.860 8.039 1.00 1.00 H new ATOM 0 HA2 GLY A 18 72.726 16.049 9.927 1.00 1.00 H new ATOM 0 HA3 GLY A 18 72.300 17.738 10.120 1.00 1.00 H new ATOM 273 N GLY A 19 70.558 17.243 11.859 1.00 1.00 N ATOM 274 CA GLY A 19 69.532 16.947 12.907 1.00 1.00 C ATOM 275 C GLY A 19 69.534 15.449 13.246 1.00 1.00 C ATOM 276 O GLY A 19 70.353 14.988 14.016 1.00 1.00 O ATOM 0 H GLY A 19 71.001 18.158 11.940 1.00 1.00 H new ATOM 0 HA2 GLY A 19 69.740 17.530 13.804 1.00 1.00 H new ATOM 0 HA3 GLY A 19 68.545 17.246 12.554 1.00 1.00 H new ATOM 280 N PRO A 20 68.627 14.693 12.676 1.00 1.00 N ATOM 281 CA PRO A 20 68.533 13.230 12.924 1.00 1.00 C ATOM 282 C PRO A 20 69.910 12.579 13.087 1.00 1.00 C ATOM 283 O PRO A 20 70.132 11.794 13.987 1.00 1.00 O ATOM 284 CB PRO A 20 67.832 12.713 11.670 1.00 1.00 C ATOM 285 CG PRO A 20 66.956 13.840 11.225 1.00 1.00 C ATOM 286 CD PRO A 20 67.595 15.142 11.728 1.00 1.00 C ATOM 0 HA PRO A 20 68.005 12.999 13.849 1.00 1.00 H new ATOM 0 HB2 PRO A 20 68.552 12.444 10.897 1.00 1.00 H new ATOM 0 HB3 PRO A 20 67.247 11.819 11.885 1.00 1.00 H new ATOM 0 HG2 PRO A 20 66.866 13.851 10.139 1.00 1.00 H new ATOM 0 HG3 PRO A 20 65.949 13.726 11.627 1.00 1.00 H new ATOM 0 HD2 PRO A 20 68.029 15.715 10.909 1.00 1.00 H new ATOM 0 HD3 PRO A 20 66.861 15.785 12.213 1.00 1.00 H new ATOM 294 N CYS A 21 70.837 12.904 12.224 1.00 1.00 N ATOM 295 CA CYS A 21 72.201 12.311 12.330 1.00 1.00 C ATOM 296 C CYS A 21 73.248 13.398 12.078 1.00 1.00 C ATOM 297 O CYS A 21 73.306 13.986 11.016 1.00 1.00 O ATOM 298 CB CYS A 21 72.356 11.194 11.294 1.00 1.00 C ATOM 299 SG CYS A 21 72.436 11.914 9.635 1.00 1.00 S ATOM 0 H CYS A 21 70.707 13.555 11.450 1.00 1.00 H new ATOM 0 HA CYS A 21 72.342 11.897 13.328 1.00 1.00 H new ATOM 0 HB2 CYS A 21 73.260 10.619 11.496 1.00 1.00 H new ATOM 0 HB3 CYS A 21 71.516 10.502 11.361 1.00 1.00 H new ATOM 304 N THR A 22 74.074 13.674 13.050 1.00 1.00 N ATOM 305 CA THR A 22 75.113 14.726 12.869 1.00 1.00 C ATOM 306 C THR A 22 76.312 14.134 12.113 1.00 1.00 C ATOM 307 O THR A 22 76.877 13.147 12.537 1.00 1.00 O ATOM 308 CB THR A 22 75.576 15.220 14.242 1.00 1.00 C ATOM 309 OG1 THR A 22 76.886 15.757 14.132 1.00 1.00 O ATOM 310 CG2 THR A 22 75.581 14.053 15.231 1.00 1.00 C ATOM 0 H THR A 22 74.074 13.216 13.962 1.00 1.00 H new ATOM 0 HA THR A 22 74.696 15.557 12.300 1.00 1.00 H new ATOM 0 HB THR A 22 74.895 15.992 14.600 1.00 1.00 H new ATOM 0 HG1 THR A 22 77.184 16.075 15.010 1.00 1.00 H new ATOM 0 HG21 THR A 22 75.911 14.406 16.208 1.00 1.00 H new ATOM 0 HG22 THR A 22 74.575 13.642 15.314 1.00 1.00 H new ATOM 0 HG23 THR A 22 76.261 13.278 14.876 1.00 1.00 H new ATOM 318 N PRO A 23 76.700 14.726 11.005 1.00 1.00 N ATOM 319 CA PRO A 23 77.857 14.239 10.192 1.00 1.00 C ATOM 320 C PRO A 23 79.068 13.849 11.054 1.00 1.00 C ATOM 321 O PRO A 23 78.976 13.013 11.930 1.00 1.00 O ATOM 322 CB PRO A 23 78.189 15.439 9.301 1.00 1.00 C ATOM 323 CG PRO A 23 76.887 16.148 9.120 1.00 1.00 C ATOM 324 CD PRO A 23 76.082 15.920 10.404 1.00 1.00 C ATOM 0 HA PRO A 23 77.612 13.333 9.638 1.00 1.00 H new ATOM 0 HB2 PRO A 23 78.931 16.086 9.769 1.00 1.00 H new ATOM 0 HB3 PRO A 23 78.602 15.120 8.344 1.00 1.00 H new ATOM 0 HG2 PRO A 23 77.046 17.212 8.946 1.00 1.00 H new ATOM 0 HG3 PRO A 23 76.352 15.760 8.253 1.00 1.00 H new ATOM 0 HD2 PRO A 23 76.143 16.780 11.071 1.00 1.00 H new ATOM 0 HD3 PRO A 23 75.026 15.758 10.189 1.00 1.00 H new ATOM 332 N ARG A 24 80.205 14.442 10.810 1.00 1.00 N ATOM 333 CA ARG A 24 81.410 14.096 11.616 1.00 1.00 C ATOM 334 C ARG A 24 81.588 12.577 11.635 1.00 1.00 C ATOM 335 O ARG A 24 81.488 11.943 12.666 1.00 1.00 O ATOM 336 CB ARG A 24 81.227 14.606 13.049 1.00 1.00 C ATOM 337 CG ARG A 24 81.081 16.129 13.039 1.00 1.00 C ATOM 338 CD ARG A 24 82.443 16.775 13.301 1.00 1.00 C ATOM 339 NE ARG A 24 83.431 16.271 12.306 1.00 1.00 N ATOM 340 CZ ARG A 24 84.324 15.389 12.663 1.00 1.00 C ATOM 341 NH1 ARG A 24 84.352 14.948 13.890 1.00 1.00 N ATOM 342 NH2 ARG A 24 85.190 14.948 11.791 1.00 1.00 N ATOM 0 H ARG A 24 80.351 15.149 10.090 1.00 1.00 H new ATOM 0 HA ARG A 24 82.291 14.561 11.174 1.00 1.00 H new ATOM 0 HB2 ARG A 24 80.345 14.149 13.498 1.00 1.00 H new ATOM 0 HB3 ARG A 24 82.082 14.317 13.660 1.00 1.00 H new ATOM 0 HG2 ARG A 24 80.688 16.461 12.078 1.00 1.00 H new ATOM 0 HG3 ARG A 24 80.366 16.441 13.800 1.00 1.00 H new ATOM 0 HD2 ARG A 24 82.362 17.860 13.232 1.00 1.00 H new ATOM 0 HD3 ARG A 24 82.779 16.544 14.312 1.00 1.00 H new ATOM 0 HE ARG A 24 83.409 16.615 11.346 1.00 1.00 H new ATOM 0 HH11 ARG A 24 83.676 15.292 14.571 1.00 1.00 H new ATOM 0 HH12 ARG A 24 85.050 14.259 14.168 1.00 1.00 H new ATOM 0 HH21 ARG A 24 85.168 15.293 10.831 1.00 1.00 H new ATOM 0 HH22 ARG A 24 85.888 14.259 12.069 1.00 1.00 H new ATOM 356 N LYS A 25 81.849 11.986 10.500 1.00 1.00 N ATOM 357 CA LYS A 25 82.031 10.508 10.454 1.00 1.00 C ATOM 358 C LYS A 25 83.087 10.088 11.479 1.00 1.00 C ATOM 359 O LYS A 25 84.135 10.693 11.589 1.00 1.00 O ATOM 360 CB LYS A 25 82.483 10.089 9.050 1.00 1.00 C ATOM 361 CG LYS A 25 81.780 10.956 8.004 1.00 1.00 C ATOM 362 CD LYS A 25 82.680 12.135 7.628 1.00 1.00 C ATOM 363 CE LYS A 25 83.648 11.707 6.523 1.00 1.00 C ATOM 364 NZ LYS A 25 84.685 12.761 6.337 1.00 1.00 N ATOM 0 H LYS A 25 81.944 12.463 9.604 1.00 1.00 H new ATOM 0 HA LYS A 25 81.085 10.021 10.690 1.00 1.00 H new ATOM 0 HB2 LYS A 25 83.564 10.195 8.958 1.00 1.00 H new ATOM 0 HB3 LYS A 25 82.251 9.038 8.881 1.00 1.00 H new ATOM 0 HG2 LYS A 25 81.552 10.363 7.119 1.00 1.00 H new ATOM 0 HG3 LYS A 25 80.831 11.320 8.397 1.00 1.00 H new ATOM 0 HD2 LYS A 25 82.074 12.975 7.290 1.00 1.00 H new ATOM 0 HD3 LYS A 25 83.236 12.475 8.502 1.00 1.00 H new ATOM 0 HE2 LYS A 25 84.120 10.760 6.784 1.00 1.00 H new ATOM 0 HE3 LYS A 25 83.106 11.547 5.591 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 85.344 12.471 5.586 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 84.227 13.655 6.069 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 85.209 12.893 7.225 1.00 1.00 H new ATOM 378 N GLY A 26 82.819 9.055 12.229 1.00 1.00 N ATOM 379 CA GLY A 26 83.808 8.595 13.246 1.00 1.00 C ATOM 380 C GLY A 26 83.134 7.612 14.206 1.00 1.00 C ATOM 381 O GLY A 26 83.540 6.473 14.326 1.00 1.00 O ATOM 0 H GLY A 26 81.959 8.509 12.182 1.00 1.00 H new ATOM 0 HA2 GLY A 26 84.655 8.117 12.754 1.00 1.00 H new ATOM 0 HA3 GLY A 26 84.201 9.448 13.799 1.00 1.00 H new ATOM 385 N PRO A 27 82.108 8.054 14.885 1.00 1.00 N ATOM 386 CA PRO A 27 81.357 7.204 15.854 1.00 1.00 C ATOM 387 C PRO A 27 80.965 5.846 15.247 1.00 1.00 C ATOM 388 O PRO A 27 80.285 5.793 14.242 1.00 1.00 O ATOM 389 CB PRO A 27 80.105 8.030 16.165 1.00 1.00 C ATOM 390 CG PRO A 27 80.493 9.447 15.905 1.00 1.00 C ATOM 391 CD PRO A 27 81.554 9.415 14.803 1.00 1.00 C ATOM 0 HA PRO A 27 81.953 6.967 16.735 1.00 1.00 H new ATOM 0 HB2 PRO A 27 79.269 7.729 15.534 1.00 1.00 H new ATOM 0 HB3 PRO A 27 79.790 7.892 17.199 1.00 1.00 H new ATOM 0 HG2 PRO A 27 79.629 10.034 15.594 1.00 1.00 H new ATOM 0 HG3 PRO A 27 80.887 9.913 16.808 1.00 1.00 H new ATOM 0 HD2 PRO A 27 81.118 9.611 13.823 1.00 1.00 H new ATOM 0 HD3 PRO A 27 82.323 10.170 14.967 1.00 1.00 H new ATOM 399 N PRO A 28 81.384 4.755 15.844 1.00 1.00 N ATOM 400 CA PRO A 28 81.056 3.394 15.334 1.00 1.00 C ATOM 401 C PRO A 28 79.584 3.267 14.924 1.00 1.00 C ATOM 402 O PRO A 28 78.690 3.612 15.670 1.00 1.00 O ATOM 403 CB PRO A 28 81.367 2.482 16.522 1.00 1.00 C ATOM 404 CG PRO A 28 82.433 3.196 17.287 1.00 1.00 C ATOM 405 CD PRO A 28 82.210 4.696 17.061 1.00 1.00 C ATOM 0 HA PRO A 28 81.622 3.147 14.436 1.00 1.00 H new ATOM 0 HB2 PRO A 28 80.482 2.319 17.137 1.00 1.00 H new ATOM 0 HB3 PRO A 28 81.709 1.502 16.189 1.00 1.00 H new ATOM 0 HG2 PRO A 28 82.377 2.952 18.348 1.00 1.00 H new ATOM 0 HG3 PRO A 28 83.423 2.896 16.943 1.00 1.00 H new ATOM 0 HD2 PRO A 28 81.704 5.156 17.909 1.00 1.00 H new ATOM 0 HD3 PRO A 28 83.154 5.224 16.928 1.00 1.00 H new ATOM 413 N LYS A 29 79.329 2.774 13.743 1.00 1.00 N ATOM 414 CA LYS A 29 77.919 2.624 13.284 1.00 1.00 C ATOM 415 C LYS A 29 77.889 1.797 11.998 1.00 1.00 C ATOM 416 O LYS A 29 76.856 1.626 11.382 1.00 1.00 O ATOM 417 CB LYS A 29 77.318 4.008 13.014 1.00 1.00 C ATOM 418 CG LYS A 29 75.798 3.894 12.880 1.00 1.00 C ATOM 419 CD LYS A 29 75.345 4.585 11.592 1.00 1.00 C ATOM 420 CE LYS A 29 75.470 6.101 11.754 1.00 1.00 C ATOM 421 NZ LYS A 29 74.915 6.777 10.548 1.00 1.00 N ATOM 0 H LYS A 29 80.037 2.468 13.075 1.00 1.00 H new ATOM 0 HA LYS A 29 77.337 2.120 14.056 1.00 1.00 H new ATOM 0 HB2 LYS A 29 77.571 4.689 13.826 1.00 1.00 H new ATOM 0 HB3 LYS A 29 77.743 4.428 12.102 1.00 1.00 H new ATOM 0 HG2 LYS A 29 75.501 2.845 12.866 1.00 1.00 H new ATOM 0 HG3 LYS A 29 75.311 4.352 13.741 1.00 1.00 H new ATOM 0 HD2 LYS A 29 75.953 4.247 10.753 1.00 1.00 H new ATOM 0 HD3 LYS A 29 74.313 4.317 11.367 1.00 1.00 H new ATOM 0 HE2 LYS A 29 74.935 6.427 12.646 1.00 1.00 H new ATOM 0 HE3 LYS A 29 76.515 6.378 11.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 75.000 7.808 10.658 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 75.444 6.474 9.706 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 73.913 6.522 10.437 1.00 1.00 H new ATOM 435 N CYS A 30 79.018 1.283 11.588 1.00 1.00 N ATOM 436 CA CYS A 30 79.063 0.466 10.341 1.00 1.00 C ATOM 437 C CYS A 30 79.985 -0.736 10.555 1.00 1.00 C ATOM 438 O CYS A 30 80.131 -1.579 9.693 1.00 1.00 O ATOM 439 CB CYS A 30 79.599 1.320 9.191 1.00 1.00 C ATOM 440 SG CYS A 30 78.672 2.872 9.108 1.00 1.00 S ATOM 0 H CYS A 30 79.913 1.394 12.064 1.00 1.00 H new ATOM 0 HA CYS A 30 78.059 0.117 10.097 1.00 1.00 H new ATOM 0 HB2 CYS A 30 80.659 1.525 9.340 1.00 1.00 H new ATOM 0 HB3 CYS A 30 79.508 0.779 8.249 1.00 1.00 H new ATOM 445 N LYS A 31 80.608 -0.817 11.701 1.00 1.00 N ATOM 446 CA LYS A 31 81.521 -1.954 11.987 1.00 1.00 C ATOM 447 C LYS A 31 81.142 -2.554 13.348 1.00 1.00 C ATOM 448 O LYS A 31 81.945 -2.628 14.257 1.00 1.00 O ATOM 449 CB LYS A 31 82.970 -1.434 12.009 1.00 1.00 C ATOM 450 CG LYS A 31 83.870 -2.395 11.230 1.00 1.00 C ATOM 451 CD LYS A 31 83.668 -3.820 11.749 1.00 1.00 C ATOM 452 CE LYS A 31 85.020 -4.529 11.837 1.00 1.00 C ATOM 453 NZ LYS A 31 85.770 -4.024 13.022 1.00 1.00 N ATOM 0 H LYS A 31 80.520 -0.136 12.455 1.00 1.00 H new ATOM 0 HA LYS A 31 81.435 -2.724 11.221 1.00 1.00 H new ATOM 0 HB2 LYS A 31 83.017 -0.438 11.569 1.00 1.00 H new ATOM 0 HB3 LYS A 31 83.320 -1.345 13.037 1.00 1.00 H new ATOM 0 HG2 LYS A 31 83.636 -2.348 10.167 1.00 1.00 H new ATOM 0 HG3 LYS A 31 84.914 -2.102 11.340 1.00 1.00 H new ATOM 0 HD2 LYS A 31 83.193 -3.797 12.730 1.00 1.00 H new ATOM 0 HD3 LYS A 31 83.000 -4.369 11.085 1.00 1.00 H new ATOM 0 HE2 LYS A 31 84.873 -5.606 11.918 1.00 1.00 H new ATOM 0 HE3 LYS A 31 85.595 -4.353 10.928 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 86.539 -4.685 13.254 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 86.170 -3.089 12.807 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 85.125 -3.946 13.834 1.00 1.00 H new ATOM 467 N GLN A 32 79.917 -2.982 13.492 1.00 1.00 N ATOM 468 CA GLN A 32 79.480 -3.573 14.787 1.00 1.00 C ATOM 469 C GLN A 32 78.082 -4.174 14.624 1.00 1.00 C ATOM 470 O GLN A 32 77.614 -4.920 15.461 1.00 1.00 O ATOM 471 CB GLN A 32 79.444 -2.482 15.860 1.00 1.00 C ATOM 472 CG GLN A 32 79.069 -3.102 17.207 1.00 1.00 C ATOM 473 CD GLN A 32 79.315 -2.085 18.324 1.00 1.00 C ATOM 474 OE1 GLN A 32 80.006 -2.373 19.281 1.00 1.00 O ATOM 475 NE2 GLN A 32 78.776 -0.900 18.241 1.00 1.00 N ATOM 0 H GLN A 32 79.200 -2.947 12.767 1.00 1.00 H new ATOM 0 HA GLN A 32 80.180 -4.353 15.086 1.00 1.00 H new ATOM 0 HB2 GLN A 32 80.416 -1.994 15.930 1.00 1.00 H new ATOM 0 HB3 GLN A 32 78.721 -1.713 15.588 1.00 1.00 H new ATOM 0 HG2 GLN A 32 78.022 -3.405 17.201 1.00 1.00 H new ATOM 0 HG3 GLN A 32 79.660 -4.001 17.383 1.00 1.00 H new ATOM 0 HE21 GLN A 32 78.196 -0.659 17.437 1.00 1.00 H new ATOM 0 HE22 GLN A 32 78.935 -0.215 18.980 1.00 1.00 H new ATOM 484 N ARG A 33 77.411 -3.853 13.551 1.00 1.00 N ATOM 485 CA ARG A 33 76.044 -4.404 13.333 1.00 1.00 C ATOM 486 C ARG A 33 76.127 -5.919 13.134 1.00 1.00 C ATOM 487 O ARG A 33 76.913 -6.597 13.766 1.00 1.00 O ATOM 488 CB ARG A 33 75.428 -3.757 12.088 1.00 1.00 C ATOM 489 CG ARG A 33 75.318 -2.245 12.296 1.00 1.00 C ATOM 490 CD ARG A 33 74.038 -1.928 13.071 1.00 1.00 C ATOM 491 NE ARG A 33 73.800 -0.457 13.056 1.00 1.00 N ATOM 492 CZ ARG A 33 72.787 0.047 13.706 1.00 1.00 C ATOM 493 NH1 ARG A 33 71.982 -0.737 14.369 1.00 1.00 N ATOM 494 NH2 ARG A 33 72.578 1.335 13.692 1.00 1.00 N ATOM 0 H ARG A 33 77.751 -3.233 12.816 1.00 1.00 H new ATOM 0 HA ARG A 33 75.422 -4.188 14.202 1.00 1.00 H new ATOM 0 HB2 ARG A 33 76.043 -3.970 11.213 1.00 1.00 H new ATOM 0 HB3 ARG A 33 74.442 -4.180 11.896 1.00 1.00 H new ATOM 0 HG2 ARG A 33 76.187 -1.878 12.843 1.00 1.00 H new ATOM 0 HG3 ARG A 33 75.308 -1.735 11.333 1.00 1.00 H new ATOM 0 HD2 ARG A 33 73.191 -2.449 12.624 1.00 1.00 H new ATOM 0 HD3 ARG A 33 74.125 -2.283 14.098 1.00 1.00 H new ATOM 0 HE ARG A 33 74.429 0.156 12.538 1.00 1.00 H new ATOM 0 HH11 ARG A 33 72.145 -1.744 14.379 1.00 1.00 H new ATOM 0 HH12 ARG A 33 71.190 -0.343 14.877 1.00 1.00 H new ATOM 0 HH21 ARG A 33 73.207 1.948 13.173 1.00 1.00 H new ATOM 0 HH22 ARG A 33 71.786 1.729 14.200 1.00 1.00 H new ATOM 508 N GLN A 34 75.320 -6.456 12.259 1.00 1.00 N ATOM 509 CA GLN A 34 75.348 -7.925 12.016 1.00 1.00 C ATOM 510 C GLN A 34 74.445 -8.250 10.823 1.00 1.00 C ATOM 511 O GLN A 34 73.713 -9.220 10.829 1.00 1.00 O ATOM 512 CB GLN A 34 74.843 -8.659 13.269 1.00 1.00 C ATOM 513 CG GLN A 34 75.667 -9.929 13.486 1.00 1.00 C ATOM 514 CD GLN A 34 75.690 -10.751 12.196 1.00 1.00 C ATOM 515 OE1 GLN A 34 74.658 -11.165 11.707 1.00 1.00 O ATOM 516 NE2 GLN A 34 76.833 -11.006 11.619 1.00 1.00 N ATOM 0 H GLN A 34 74.641 -5.938 11.701 1.00 1.00 H new ATOM 0 HA GLN A 34 76.366 -8.248 11.800 1.00 1.00 H new ATOM 0 HB2 GLN A 34 74.922 -8.009 14.140 1.00 1.00 H new ATOM 0 HB3 GLN A 34 73.789 -8.912 13.155 1.00 1.00 H new ATOM 0 HG2 GLN A 34 76.683 -9.669 13.782 1.00 1.00 H new ATOM 0 HG3 GLN A 34 75.239 -10.518 14.297 1.00 1.00 H new ATOM 0 HE21 GLN A 34 77.700 -10.659 12.029 1.00 1.00 H new ATOM 0 HE22 GLN A 34 76.859 -11.553 10.758 1.00 1.00 H new ATOM 525 N THR A 35 74.488 -7.438 9.801 1.00 1.00 N ATOM 526 CA THR A 35 73.633 -7.686 8.606 1.00 1.00 C ATOM 527 C THR A 35 73.744 -9.153 8.184 1.00 1.00 C ATOM 528 O THR A 35 73.098 -10.020 8.737 1.00 1.00 O ATOM 529 CB THR A 35 74.097 -6.789 7.455 1.00 1.00 C ATOM 530 OG1 THR A 35 73.709 -7.370 6.218 1.00 1.00 O ATOM 531 CG2 THR A 35 75.619 -6.645 7.499 1.00 1.00 C ATOM 0 H THR A 35 75.081 -6.610 9.743 1.00 1.00 H new ATOM 0 HA THR A 35 72.595 -7.461 8.852 1.00 1.00 H new ATOM 0 HB THR A 35 73.639 -5.805 7.554 1.00 1.00 H new ATOM 0 HG1 THR A 35 72.735 -7.315 6.122 1.00 1.00 H new ATOM 0 HG21 THR A 35 75.948 -6.006 6.679 1.00 1.00 H new ATOM 0 HG22 THR A 35 75.915 -6.198 8.448 1.00 1.00 H new ATOM 0 HG23 THR A 35 76.080 -7.628 7.401 1.00 1.00 H new ATOM 539 N ARG A 36 74.555 -9.436 7.202 1.00 1.00 N ATOM 540 CA ARG A 36 74.705 -10.845 6.743 1.00 1.00 C ATOM 541 C ARG A 36 75.961 -10.961 5.875 1.00 1.00 C ATOM 542 O ARG A 36 76.027 -11.757 4.960 1.00 1.00 O ATOM 543 CB ARG A 36 73.470 -11.246 5.927 1.00 1.00 C ATOM 544 CG ARG A 36 73.384 -12.771 5.835 1.00 1.00 C ATOM 545 CD ARG A 36 73.028 -13.346 7.207 1.00 1.00 C ATOM 546 NE ARG A 36 72.039 -12.456 7.877 1.00 1.00 N ATOM 547 CZ ARG A 36 71.902 -12.493 9.175 1.00 1.00 C ATOM 548 NH1 ARG A 36 72.631 -13.310 9.885 1.00 1.00 N ATOM 549 NH2 ARG A 36 71.036 -11.713 9.762 1.00 1.00 N ATOM 0 H ARG A 36 75.120 -8.752 6.698 1.00 1.00 H new ATOM 0 HA ARG A 36 74.798 -11.507 7.604 1.00 1.00 H new ATOM 0 HB2 ARG A 36 72.569 -10.849 6.395 1.00 1.00 H new ATOM 0 HB3 ARG A 36 73.527 -10.815 4.928 1.00 1.00 H new ATOM 0 HG2 ARG A 36 72.631 -13.060 5.102 1.00 1.00 H new ATOM 0 HG3 ARG A 36 74.335 -13.179 5.493 1.00 1.00 H new ATOM 0 HD2 ARG A 36 72.615 -14.349 7.097 1.00 1.00 H new ATOM 0 HD3 ARG A 36 73.925 -13.436 7.819 1.00 1.00 H new ATOM 0 HE ARG A 36 71.469 -11.818 7.322 1.00 1.00 H new ATOM 0 HH11 ARG A 36 73.308 -13.920 9.426 1.00 1.00 H new ATOM 0 HH12 ARG A 36 72.524 -13.339 10.899 1.00 1.00 H new ATOM 0 HH21 ARG A 36 70.466 -11.075 9.207 1.00 1.00 H new ATOM 0 HH22 ARG A 36 70.929 -11.742 10.776 1.00 1.00 H new ATOM 563 N GLN A 37 76.960 -10.171 6.157 1.00 1.00 N ATOM 564 CA GLN A 37 78.211 -10.234 5.351 1.00 1.00 C ATOM 565 C GLN A 37 77.880 -10.025 3.872 1.00 1.00 C ATOM 566 O GLN A 37 76.732 -10.052 3.473 1.00 1.00 O ATOM 567 CB GLN A 37 78.869 -11.603 5.541 1.00 1.00 C ATOM 568 CG GLN A 37 78.825 -11.990 7.021 1.00 1.00 C ATOM 569 CD GLN A 37 79.755 -13.179 7.266 1.00 1.00 C ATOM 570 OE1 GLN A 37 80.100 -13.940 6.263 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 80.173 -13.419 8.381 1.00 1.00 N flip ATOM 0 H GLN A 37 76.964 -9.484 6.911 1.00 1.00 H new ATOM 0 HA GLN A 37 78.895 -9.452 5.680 1.00 1.00 H new ATOM 0 HB2 GLN A 37 78.352 -12.353 4.943 1.00 1.00 H new ATOM 0 HB3 GLN A 37 79.901 -11.574 5.192 1.00 1.00 H new ATOM 0 HG2 GLN A 37 79.129 -11.144 7.638 1.00 1.00 H new ATOM 0 HG3 GLN A 37 77.806 -12.246 7.311 1.00 1.00 H new ATOM 0 HE21 GLN A 37 79.904 -12.825 9.165 1.00 1.00 H new ATOM 0 HE22 GLN A 37 80.793 -14.215 8.533 1.00 1.00 H new ATOM 580 N CYS A 38 78.876 -9.817 3.055 1.00 1.00 N ATOM 581 CA CYS A 38 78.618 -9.606 1.603 1.00 1.00 C ATOM 582 C CYS A 38 78.200 -10.931 0.960 1.00 1.00 C ATOM 583 O CYS A 38 79.028 -11.725 0.559 1.00 1.00 O ATOM 584 CB CYS A 38 79.892 -9.090 0.929 1.00 1.00 C ATOM 585 SG CYS A 38 79.463 -8.280 -0.632 1.00 1.00 S ATOM 0 H CYS A 38 79.858 -9.784 3.331 1.00 1.00 H new ATOM 0 HA CYS A 38 77.819 -8.875 1.478 1.00 1.00 H new ATOM 0 HB2 CYS A 38 80.405 -8.388 1.586 1.00 1.00 H new ATOM 0 HB3 CYS A 38 80.579 -9.916 0.746 1.00 1.00 H new ATOM 590 N LYS A 39 76.919 -11.175 0.861 1.00 1.00 N ATOM 591 CA LYS A 39 76.437 -12.448 0.245 1.00 1.00 C ATOM 592 C LYS A 39 75.724 -12.133 -1.073 1.00 1.00 C ATOM 593 O LYS A 39 75.475 -13.008 -1.879 1.00 1.00 O ATOM 594 CB LYS A 39 75.462 -13.142 1.211 1.00 1.00 C ATOM 595 CG LYS A 39 76.133 -14.375 1.819 1.00 1.00 C ATOM 596 CD LYS A 39 77.261 -13.935 2.754 1.00 1.00 C ATOM 597 CE LYS A 39 78.203 -15.112 3.009 1.00 1.00 C ATOM 598 NZ LYS A 39 77.418 -16.282 3.494 1.00 1.00 N ATOM 0 H LYS A 39 76.183 -10.545 1.181 1.00 1.00 H new ATOM 0 HA LYS A 39 77.282 -13.108 0.050 1.00 1.00 H new ATOM 0 HB2 LYS A 39 75.163 -12.452 2.000 1.00 1.00 H new ATOM 0 HB3 LYS A 39 74.555 -13.433 0.681 1.00 1.00 H new ATOM 0 HG2 LYS A 39 75.401 -14.966 2.369 1.00 1.00 H new ATOM 0 HG3 LYS A 39 76.529 -15.013 1.029 1.00 1.00 H new ATOM 0 HD2 LYS A 39 77.811 -13.105 2.311 1.00 1.00 H new ATOM 0 HD3 LYS A 39 76.847 -13.576 3.696 1.00 1.00 H new ATOM 0 HE2 LYS A 39 78.734 -15.371 2.093 1.00 1.00 H new ATOM 0 HE3 LYS A 39 78.956 -14.835 3.747 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 78.052 -16.948 3.980 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 76.684 -15.957 4.155 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 76.970 -16.758 2.686 1.00 1.00 H new ATOM 612 N SER A 40 75.393 -10.891 -1.300 1.00 1.00 N ATOM 613 CA SER A 40 74.697 -10.526 -2.567 1.00 1.00 C ATOM 614 C SER A 40 75.421 -11.173 -3.749 1.00 1.00 C ATOM 615 O SER A 40 76.629 -11.114 -3.857 1.00 1.00 O ATOM 616 CB SER A 40 74.707 -9.006 -2.734 1.00 1.00 C ATOM 617 OG SER A 40 73.875 -8.420 -1.743 1.00 1.00 O ATOM 0 H SER A 40 75.574 -10.114 -0.664 1.00 1.00 H new ATOM 0 HA SER A 40 73.667 -10.881 -2.532 1.00 1.00 H new ATOM 0 HB2 SER A 40 75.724 -8.625 -2.643 1.00 1.00 H new ATOM 0 HB3 SER A 40 74.353 -8.735 -3.729 1.00 1.00 H new ATOM 0 HG SER A 40 73.557 -7.548 -2.057 1.00 1.00 H new ATOM 623 N LYS A 41 74.692 -11.791 -4.638 1.00 1.00 N ATOM 624 CA LYS A 41 75.342 -12.440 -5.810 1.00 1.00 C ATOM 625 C LYS A 41 76.192 -11.403 -6.554 1.00 1.00 C ATOM 626 O LYS A 41 75.842 -10.241 -6.617 1.00 1.00 O ATOM 627 CB LYS A 41 74.266 -12.988 -6.750 1.00 1.00 C ATOM 628 CG LYS A 41 73.409 -11.834 -7.274 1.00 1.00 C ATOM 629 CD LYS A 41 72.102 -12.388 -7.847 1.00 1.00 C ATOM 630 CE LYS A 41 72.416 -13.435 -8.917 1.00 1.00 C ATOM 631 NZ LYS A 41 72.756 -14.729 -8.261 1.00 1.00 N ATOM 0 H LYS A 41 73.676 -11.874 -4.603 1.00 1.00 H new ATOM 0 HA LYS A 41 75.977 -13.258 -5.471 1.00 1.00 H new ATOM 0 HB2 LYS A 41 74.730 -13.517 -7.582 1.00 1.00 H new ATOM 0 HB3 LYS A 41 73.641 -13.709 -6.223 1.00 1.00 H new ATOM 0 HG2 LYS A 41 73.196 -11.130 -6.469 1.00 1.00 H new ATOM 0 HG3 LYS A 41 73.951 -11.284 -8.043 1.00 1.00 H new ATOM 0 HD2 LYS A 41 71.504 -12.833 -7.052 1.00 1.00 H new ATOM 0 HD3 LYS A 41 71.510 -11.580 -8.277 1.00 1.00 H new ATOM 0 HE2 LYS A 41 71.559 -13.564 -9.577 1.00 1.00 H new ATOM 0 HE3 LYS A 41 73.248 -13.099 -9.536 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 73.778 -14.902 -8.343 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 72.492 -14.689 -7.256 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 72.236 -15.501 -8.725 1.00 1.00 H new ATOM 645 N PRO A 42 77.301 -11.816 -7.116 1.00 1.00 N ATOM 646 CA PRO A 42 78.208 -10.899 -7.868 1.00 1.00 C ATOM 647 C PRO A 42 77.612 -10.481 -9.219 1.00 1.00 C ATOM 648 O PRO A 42 76.719 -11.124 -9.734 1.00 1.00 O ATOM 649 CB PRO A 42 79.476 -11.734 -8.075 1.00 1.00 C ATOM 650 CG PRO A 42 79.014 -13.153 -8.044 1.00 1.00 C ATOM 651 CD PRO A 42 77.809 -13.197 -7.101 1.00 1.00 C ATOM 0 HA PRO A 42 78.385 -9.967 -7.330 1.00 1.00 H new ATOM 0 HB2 PRO A 42 79.955 -11.496 -9.025 1.00 1.00 H new ATOM 0 HB3 PRO A 42 80.208 -11.540 -7.291 1.00 1.00 H new ATOM 0 HG2 PRO A 42 78.738 -13.493 -9.042 1.00 1.00 H new ATOM 0 HG3 PRO A 42 79.807 -13.812 -7.691 1.00 1.00 H new ATOM 0 HD2 PRO A 42 77.055 -13.904 -7.448 1.00 1.00 H new ATOM 0 HD3 PRO A 42 78.098 -13.506 -6.097 1.00 1.00 H new ATOM 659 N PRO A 43 78.108 -9.414 -9.788 1.00 1.00 N ATOM 660 CA PRO A 43 77.621 -8.904 -11.103 1.00 1.00 C ATOM 661 C PRO A 43 78.052 -9.809 -12.262 1.00 1.00 C ATOM 662 O PRO A 43 78.924 -10.643 -12.119 1.00 1.00 O ATOM 663 CB PRO A 43 78.273 -7.523 -11.223 1.00 1.00 C ATOM 664 CG PRO A 43 79.499 -7.595 -10.375 1.00 1.00 C ATOM 665 CD PRO A 43 79.190 -8.578 -9.243 1.00 1.00 C ATOM 0 HA PRO A 43 76.533 -8.871 -11.152 1.00 1.00 H new ATOM 0 HB2 PRO A 43 78.523 -7.294 -12.259 1.00 1.00 H new ATOM 0 HB3 PRO A 43 77.600 -6.738 -10.877 1.00 1.00 H new ATOM 0 HG2 PRO A 43 80.355 -7.933 -10.959 1.00 1.00 H new ATOM 0 HG3 PRO A 43 79.753 -6.613 -9.977 1.00 1.00 H new ATOM 0 HD2 PRO A 43 80.064 -9.175 -8.982 1.00 1.00 H new ATOM 0 HD3 PRO A 43 78.877 -8.059 -8.337 1.00 1.00 H new ATOM 673 N LYS A 44 77.451 -9.652 -13.409 1.00 1.00 N ATOM 674 CA LYS A 44 77.831 -10.504 -14.570 1.00 1.00 C ATOM 675 C LYS A 44 79.241 -10.128 -15.033 1.00 1.00 C ATOM 676 O LYS A 44 79.959 -10.935 -15.589 1.00 1.00 O ATOM 677 CB LYS A 44 76.836 -10.286 -15.717 1.00 1.00 C ATOM 678 CG LYS A 44 76.371 -8.829 -15.724 1.00 1.00 C ATOM 679 CD LYS A 44 75.100 -8.694 -14.882 1.00 1.00 C ATOM 680 CE LYS A 44 73.878 -9.005 -15.748 1.00 1.00 C ATOM 681 NZ LYS A 44 73.681 -7.910 -16.740 1.00 1.00 N ATOM 0 H LYS A 44 76.714 -8.971 -13.592 1.00 1.00 H new ATOM 0 HA LYS A 44 77.812 -11.553 -14.274 1.00 1.00 H new ATOM 0 HB2 LYS A 44 77.304 -10.533 -16.670 1.00 1.00 H new ATOM 0 HB3 LYS A 44 75.980 -10.951 -15.600 1.00 1.00 H new ATOM 0 HG2 LYS A 44 77.154 -8.184 -15.325 1.00 1.00 H new ATOM 0 HG3 LYS A 44 76.179 -8.502 -16.746 1.00 1.00 H new ATOM 0 HD2 LYS A 44 75.140 -9.376 -14.033 1.00 1.00 H new ATOM 0 HD3 LYS A 44 75.025 -7.685 -14.477 1.00 1.00 H new ATOM 0 HE2 LYS A 44 74.016 -9.956 -16.263 1.00 1.00 H new ATOM 0 HE3 LYS A 44 72.992 -9.107 -15.122 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 72.682 -7.876 -17.026 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 73.949 -7.001 -16.312 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 74.274 -8.088 -17.576 1.00 1.00 H new ATOM 695 N LYS A 45 79.641 -8.907 -14.807 1.00 1.00 N ATOM 696 CA LYS A 45 81.003 -8.477 -15.233 1.00 1.00 C ATOM 697 C LYS A 45 81.291 -7.079 -14.682 1.00 1.00 C ATOM 698 O LYS A 45 81.970 -6.285 -15.303 1.00 1.00 O ATOM 699 CB LYS A 45 81.070 -8.444 -16.761 1.00 1.00 C ATOM 700 CG LYS A 45 80.049 -7.437 -17.295 1.00 1.00 C ATOM 701 CD LYS A 45 79.938 -7.578 -18.814 1.00 1.00 C ATOM 702 CE LYS A 45 78.805 -6.689 -19.328 1.00 1.00 C ATOM 703 NZ LYS A 45 79.105 -5.266 -19.007 1.00 1.00 N ATOM 0 H LYS A 45 79.084 -8.188 -14.346 1.00 1.00 H new ATOM 0 HA LYS A 45 81.743 -9.179 -14.850 1.00 1.00 H new ATOM 0 HB2 LYS A 45 82.073 -8.168 -17.086 1.00 1.00 H new ATOM 0 HB3 LYS A 45 80.865 -9.435 -17.166 1.00 1.00 H new ATOM 0 HG2 LYS A 45 79.077 -7.608 -16.832 1.00 1.00 H new ATOM 0 HG3 LYS A 45 80.352 -6.423 -17.035 1.00 1.00 H new ATOM 0 HD2 LYS A 45 80.879 -7.295 -19.286 1.00 1.00 H new ATOM 0 HD3 LYS A 45 79.748 -8.618 -19.080 1.00 1.00 H new ATOM 0 HE2 LYS A 45 78.691 -6.814 -20.405 1.00 1.00 H new ATOM 0 HE3 LYS A 45 77.861 -6.985 -18.871 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 78.483 -4.646 -19.564 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 78.944 -5.097 -17.993 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 80.098 -5.060 -19.239 1.00 1.00 H new ATOM 717 N GLY A 46 80.778 -6.770 -13.522 1.00 1.00 N ATOM 718 CA GLY A 46 81.020 -5.421 -12.933 1.00 1.00 C ATOM 719 C GLY A 46 82.306 -5.443 -12.105 1.00 1.00 C ATOM 720 O GLY A 46 82.839 -4.413 -11.742 1.00 1.00 O ATOM 0 H GLY A 46 80.202 -7.393 -12.956 1.00 1.00 H new ATOM 0 HA2 GLY A 46 81.099 -4.677 -13.725 1.00 1.00 H new ATOM 0 HA3 GLY A 46 80.177 -5.131 -12.306 1.00 1.00 H new ATOM 724 N VAL A 47 82.810 -6.608 -11.800 1.00 1.00 N ATOM 725 CA VAL A 47 84.061 -6.688 -10.993 1.00 1.00 C ATOM 726 C VAL A 47 85.230 -6.126 -11.806 1.00 1.00 C ATOM 727 O VAL A 47 85.278 -4.949 -12.106 1.00 1.00 O ATOM 728 CB VAL A 47 84.338 -8.149 -10.626 1.00 1.00 C ATOM 729 CG1 VAL A 47 85.429 -8.209 -9.555 1.00 1.00 C ATOM 730 CG2 VAL A 47 83.058 -8.789 -10.085 1.00 1.00 C ATOM 0 H VAL A 47 82.411 -7.506 -12.074 1.00 1.00 H new ATOM 0 HA VAL A 47 83.945 -6.104 -10.080 1.00 1.00 H new ATOM 0 HB VAL A 47 84.670 -8.690 -11.513 1.00 1.00 H new ATOM 0 HG11 VAL A 47 85.626 -9.249 -9.294 1.00 1.00 H new ATOM 0 HG12 VAL A 47 86.341 -7.752 -9.939 1.00 1.00 H new ATOM 0 HG13 VAL A 47 85.098 -7.669 -8.668 1.00 1.00 H new ATOM 0 HG21 VAL A 47 83.254 -9.829 -9.823 1.00 1.00 H new ATOM 0 HG22 VAL A 47 82.727 -8.248 -9.199 1.00 1.00 H new ATOM 0 HG23 VAL A 47 82.280 -8.747 -10.847 1.00 1.00 H new ATOM 740 N GLN A 48 86.175 -6.953 -12.164 1.00 1.00 N ATOM 741 CA GLN A 48 87.338 -6.460 -12.956 1.00 1.00 C ATOM 742 C GLN A 48 87.953 -5.246 -12.256 1.00 1.00 C ATOM 743 O GLN A 48 87.777 -4.120 -12.677 1.00 1.00 O ATOM 744 CB GLN A 48 86.870 -6.060 -14.357 1.00 1.00 C ATOM 745 CG GLN A 48 86.565 -7.318 -15.172 1.00 1.00 C ATOM 746 CD GLN A 48 85.767 -6.938 -16.420 1.00 1.00 C ATOM 747 OE1 GLN A 48 85.625 -5.678 -16.730 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 85.267 -7.795 -17.121 1.00 1.00 N flip ATOM 0 H GLN A 48 86.192 -7.948 -11.942 1.00 1.00 H new ATOM 0 HA GLN A 48 88.085 -7.250 -13.036 1.00 1.00 H new ATOM 0 HB2 GLN A 48 85.981 -5.433 -14.290 1.00 1.00 H new ATOM 0 HB3 GLN A 48 87.640 -5.469 -14.854 1.00 1.00 H new ATOM 0 HG2 GLN A 48 87.493 -7.813 -15.458 1.00 1.00 H new ATOM 0 HG3 GLN A 48 85.999 -8.027 -14.568 1.00 1.00 H new ATOM 0 HE21 GLN A 48 85.377 -8.780 -16.880 1.00 1.00 H new ATOM 0 HE22 GLN A 48 84.737 -7.530 -17.951 1.00 1.00 H new ATOM 757 N GLY A 49 88.674 -5.466 -11.191 1.00 1.00 N ATOM 758 CA GLY A 49 89.301 -4.325 -10.465 1.00 1.00 C ATOM 759 C GLY A 49 90.199 -4.861 -9.349 1.00 1.00 C ATOM 760 O GLY A 49 91.352 -5.177 -9.565 1.00 1.00 O ATOM 0 H GLY A 49 88.856 -6.387 -10.792 1.00 1.00 H new ATOM 0 HA2 GLY A 49 89.885 -3.718 -11.156 1.00 1.00 H new ATOM 0 HA3 GLY A 49 88.530 -3.679 -10.046 1.00 1.00 H new ATOM 764 N CYS A 50 89.680 -4.965 -8.155 1.00 1.00 N ATOM 765 CA CYS A 50 90.504 -5.480 -7.025 1.00 1.00 C ATOM 766 C CYS A 50 89.585 -6.052 -5.944 1.00 1.00 C ATOM 767 O CYS A 50 89.817 -5.881 -4.764 1.00 1.00 O ATOM 768 CB CYS A 50 91.335 -4.337 -6.439 1.00 1.00 C ATOM 769 SG CYS A 50 90.328 -2.835 -6.367 1.00 1.00 S ATOM 0 H CYS A 50 88.721 -4.715 -7.914 1.00 1.00 H new ATOM 0 HA CYS A 50 91.170 -6.264 -7.386 1.00 1.00 H new ATOM 0 HB2 CYS A 50 91.684 -4.602 -5.441 1.00 1.00 H new ATOM 0 HB3 CYS A 50 92.220 -4.165 -7.052 1.00 1.00 H new ATOM 774 N GLY A 51 88.543 -6.732 -6.338 1.00 1.00 N ATOM 775 CA GLY A 51 87.610 -7.314 -5.333 1.00 1.00 C ATOM 776 C GLY A 51 88.247 -8.552 -4.700 1.00 1.00 C ATOM 777 O GLY A 51 87.809 -9.665 -4.912 1.00 1.00 O ATOM 0 H GLY A 51 88.298 -6.909 -7.312 1.00 1.00 H new ATOM 0 HA2 GLY A 51 87.381 -6.576 -4.564 1.00 1.00 H new ATOM 0 HA3 GLY A 51 86.667 -7.581 -5.809 1.00 1.00 H new ATOM 781 N ASP A 52 89.281 -8.368 -3.923 1.00 1.00 N ATOM 782 CA ASP A 52 89.946 -9.536 -3.277 1.00 1.00 C ATOM 783 C ASP A 52 90.594 -9.092 -1.964 1.00 1.00 C ATOM 784 O ASP A 52 91.660 -9.549 -1.601 1.00 1.00 O ATOM 785 CB ASP A 52 91.022 -10.092 -4.213 1.00 1.00 C ATOM 786 CG ASP A 52 90.408 -10.378 -5.585 1.00 1.00 C ATOM 787 OD1 ASP A 52 89.851 -11.451 -5.751 1.00 1.00 O ATOM 788 OD2 ASP A 52 90.505 -9.519 -6.446 1.00 1.00 O ATOM 0 H ASP A 52 89.693 -7.460 -3.708 1.00 1.00 H new ATOM 0 HA ASP A 52 89.205 -10.309 -3.074 1.00 1.00 H new ATOM 0 HB2 ASP A 52 91.839 -9.377 -4.310 1.00 1.00 H new ATOM 0 HB3 ASP A 52 91.446 -11.005 -3.795 1.00 1.00 H new ATOM 793 N ASP A 53 89.960 -8.204 -1.248 1.00 1.00 N ATOM 794 CA ASP A 53 90.540 -7.731 0.041 1.00 1.00 C ATOM 795 C ASP A 53 89.423 -7.191 0.936 1.00 1.00 C ATOM 796 O ASP A 53 89.509 -6.100 1.461 1.00 1.00 O ATOM 797 CB ASP A 53 91.555 -6.620 -0.234 1.00 1.00 C ATOM 798 CG ASP A 53 92.596 -7.116 -1.240 1.00 1.00 C ATOM 799 OD1 ASP A 53 92.339 -7.010 -2.428 1.00 1.00 O ATOM 800 OD2 ASP A 53 93.631 -7.592 -0.805 1.00 1.00 O ATOM 0 H ASP A 53 89.065 -7.785 -1.500 1.00 1.00 H new ATOM 0 HA ASP A 53 91.037 -8.562 0.542 1.00 1.00 H new ATOM 0 HB2 ASP A 53 91.048 -5.738 -0.625 1.00 1.00 H new ATOM 0 HB3 ASP A 53 92.044 -6.322 0.694 1.00 1.00 H new ATOM 805 N ILE A 54 88.374 -7.948 1.113 1.00 1.00 N ATOM 806 CA ILE A 54 87.248 -7.482 1.973 1.00 1.00 C ATOM 807 C ILE A 54 87.808 -6.906 3.285 1.00 1.00 C ATOM 808 O ILE A 54 88.296 -7.637 4.123 1.00 1.00 O ATOM 809 CB ILE A 54 86.333 -8.671 2.289 1.00 1.00 C ATOM 810 CG1 ILE A 54 87.181 -9.933 2.465 1.00 1.00 C ATOM 811 CG2 ILE A 54 85.347 -8.878 1.138 1.00 1.00 C ATOM 812 CD1 ILE A 54 86.332 -11.034 3.103 1.00 1.00 C ATOM 0 H ILE A 54 88.248 -8.871 0.698 1.00 1.00 H new ATOM 0 HA ILE A 54 86.683 -6.710 1.451 1.00 1.00 H new ATOM 0 HB ILE A 54 85.782 -8.470 3.208 1.00 1.00 H new ATOM 0 HG12 ILE A 54 87.561 -10.266 1.499 1.00 1.00 H new ATOM 0 HG13 ILE A 54 88.047 -9.718 3.091 1.00 1.00 H new ATOM 0 HG21 ILE A 54 84.697 -9.723 1.363 1.00 1.00 H new ATOM 0 HG22 ILE A 54 84.743 -7.980 1.010 1.00 1.00 H new ATOM 0 HG23 ILE A 54 85.898 -9.079 0.219 1.00 1.00 H new ATOM 0 HD11 ILE A 54 86.936 -11.933 3.228 1.00 1.00 H new ATOM 0 HD12 ILE A 54 85.974 -10.699 4.076 1.00 1.00 H new ATOM 0 HD13 ILE A 54 85.481 -11.256 2.460 1.00 1.00 H new ATOM 824 N PRO A 55 87.745 -5.606 3.466 1.00 1.00 N ATOM 825 CA PRO A 55 88.261 -4.946 4.698 1.00 1.00 C ATOM 826 C PRO A 55 87.259 -5.012 5.857 1.00 1.00 C ATOM 827 O PRO A 55 87.629 -5.173 7.003 1.00 1.00 O ATOM 828 CB PRO A 55 88.478 -3.500 4.254 1.00 1.00 C ATOM 829 CG PRO A 55 87.453 -3.269 3.191 1.00 1.00 C ATOM 830 CD PRO A 55 87.183 -4.624 2.524 1.00 1.00 C ATOM 0 HA PRO A 55 89.161 -5.429 5.078 1.00 1.00 H new ATOM 0 HB2 PRO A 55 88.349 -2.807 5.086 1.00 1.00 H new ATOM 0 HB3 PRO A 55 89.487 -3.351 3.869 1.00 1.00 H new ATOM 0 HG2 PRO A 55 86.538 -2.862 3.620 1.00 1.00 H new ATOM 0 HG3 PRO A 55 87.812 -2.544 2.460 1.00 1.00 H new ATOM 0 HD2 PRO A 55 86.116 -4.786 2.368 1.00 1.00 H new ATOM 0 HD3 PRO A 55 87.662 -4.690 1.547 1.00 1.00 H new ATOM 838 N GLY A 56 85.992 -4.886 5.566 1.00 1.00 N ATOM 839 CA GLY A 56 84.968 -4.939 6.649 1.00 1.00 C ATOM 840 C GLY A 56 83.620 -5.346 6.055 1.00 1.00 C ATOM 841 O GLY A 56 82.611 -4.713 6.292 1.00 1.00 O ATOM 0 H GLY A 56 85.622 -4.749 4.625 1.00 1.00 H new ATOM 0 HA2 GLY A 56 85.270 -5.653 7.415 1.00 1.00 H new ATOM 0 HA3 GLY A 56 84.885 -3.966 7.134 1.00 1.00 H new ATOM 845 N MET A 57 83.595 -6.396 5.284 1.00 1.00 N ATOM 846 CA MET A 57 82.311 -6.840 4.676 1.00 1.00 C ATOM 847 C MET A 57 81.631 -5.648 3.999 1.00 1.00 C ATOM 848 O MET A 57 82.243 -4.917 3.247 1.00 1.00 O ATOM 849 CB MET A 57 81.394 -7.398 5.767 1.00 1.00 C ATOM 850 CG MET A 57 82.134 -8.484 6.551 1.00 1.00 C ATOM 851 SD MET A 57 81.133 -8.990 7.971 1.00 1.00 S ATOM 852 CE MET A 57 82.318 -10.161 8.678 1.00 1.00 C ATOM 0 H MET A 57 84.408 -6.966 5.049 1.00 1.00 H new ATOM 0 HA MET A 57 82.508 -7.616 3.937 1.00 1.00 H new ATOM 0 HB2 MET A 57 81.082 -6.598 6.439 1.00 1.00 H new ATOM 0 HB3 MET A 57 80.489 -7.810 5.320 1.00 1.00 H new ATOM 0 HG2 MET A 57 82.332 -9.341 5.908 1.00 1.00 H new ATOM 0 HG3 MET A 57 83.100 -8.109 6.889 1.00 1.00 H new ATOM 0 HE1 MET A 57 81.898 -10.602 9.582 1.00 1.00 H new ATOM 0 HE2 MET A 57 82.528 -10.948 7.954 1.00 1.00 H new ATOM 0 HE3 MET A 57 83.243 -9.639 8.924 1.00 1.00 H new ATOM 862 N GLU A 58 80.369 -5.448 4.266 1.00 1.00 N ATOM 863 CA GLU A 58 79.638 -4.306 3.643 1.00 1.00 C ATOM 864 C GLU A 58 78.189 -4.308 4.136 1.00 1.00 C ATOM 865 O GLU A 58 77.485 -5.291 4.011 1.00 1.00 O ATOM 866 CB GLU A 58 79.657 -4.454 2.117 1.00 1.00 C ATOM 867 CG GLU A 58 78.702 -3.434 1.493 1.00 1.00 C ATOM 868 CD GLU A 58 78.973 -3.333 -0.009 1.00 1.00 C ATOM 869 OE1 GLU A 58 80.071 -2.939 -0.368 1.00 1.00 O ATOM 870 OE2 GLU A 58 78.079 -3.652 -0.775 1.00 1.00 O ATOM 0 H GLU A 58 79.810 -6.028 4.891 1.00 1.00 H new ATOM 0 HA GLU A 58 80.121 -3.369 3.921 1.00 1.00 H new ATOM 0 HB2 GLU A 58 80.668 -4.301 1.739 1.00 1.00 H new ATOM 0 HB3 GLU A 58 79.361 -5.465 1.835 1.00 1.00 H new ATOM 0 HG2 GLU A 58 77.669 -3.734 1.667 1.00 1.00 H new ATOM 0 HG3 GLU A 58 78.835 -2.460 1.964 1.00 1.00 H new ATOM 877 N GLY A 59 77.735 -3.219 4.695 1.00 1.00 N ATOM 878 CA GLY A 59 76.330 -3.171 5.190 1.00 1.00 C ATOM 879 C GLY A 59 76.143 -1.956 6.101 1.00 1.00 C ATOM 880 O GLY A 59 76.948 -1.046 6.116 1.00 1.00 O ATOM 0 H GLY A 59 78.274 -2.364 4.830 1.00 1.00 H new ATOM 0 HA2 GLY A 59 75.640 -3.116 4.348 1.00 1.00 H new ATOM 0 HA3 GLY A 59 76.095 -4.085 5.735 1.00 1.00 H new ATOM 884 N CYS A 60 75.082 -1.936 6.861 1.00 1.00 N ATOM 885 CA CYS A 60 74.834 -0.783 7.772 1.00 1.00 C ATOM 886 C CYS A 60 73.798 -1.182 8.825 1.00 1.00 C ATOM 887 O CYS A 60 73.923 -2.198 9.477 1.00 1.00 O ATOM 888 CB CYS A 60 74.311 0.404 6.960 1.00 1.00 C ATOM 889 SG CYS A 60 74.359 1.901 7.977 1.00 1.00 S ATOM 0 H CYS A 60 74.375 -2.670 6.890 1.00 1.00 H new ATOM 0 HA CYS A 60 75.763 -0.501 8.267 1.00 1.00 H new ATOM 0 HB2 CYS A 60 74.917 0.541 6.064 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.291 0.210 6.628 1.00 1.00 H new ATOM 894 N GLY A 61 72.771 -0.393 8.995 1.00 1.00 N ATOM 895 CA GLY A 61 71.728 -0.734 10.005 1.00 1.00 C ATOM 896 C GLY A 61 70.623 -1.552 9.337 1.00 1.00 C ATOM 897 O GLY A 61 70.605 -2.764 9.408 1.00 1.00 O ATOM 0 H GLY A 61 72.609 0.472 8.479 1.00 1.00 H new ATOM 0 HA2 GLY A 61 72.171 -1.301 10.824 1.00 1.00 H new ATOM 0 HA3 GLY A 61 71.312 0.177 10.436 1.00 1.00 H new ATOM 901 N THR A 62 69.700 -0.896 8.687 1.00 1.00 N ATOM 902 CA THR A 62 68.593 -1.631 8.010 1.00 1.00 C ATOM 903 C THR A 62 68.201 -0.894 6.728 1.00 1.00 C ATOM 904 O THR A 62 67.097 -1.024 6.239 1.00 1.00 O ATOM 905 CB THR A 62 67.385 -1.702 8.946 1.00 1.00 C ATOM 906 OG1 THR A 62 66.737 -0.438 8.976 1.00 1.00 O ATOM 907 CG2 THR A 62 67.850 -2.073 10.355 1.00 1.00 C ATOM 0 H THR A 62 69.665 0.119 8.595 1.00 1.00 H new ATOM 0 HA THR A 62 68.923 -2.640 7.762 1.00 1.00 H new ATOM 0 HB THR A 62 66.689 -2.459 8.585 1.00 1.00 H new ATOM 0 HG1 THR A 62 65.962 -0.482 9.574 1.00 1.00 H new ATOM 0 HG21 THR A 62 66.989 -2.123 11.021 1.00 1.00 H new ATOM 0 HG22 THR A 62 68.347 -3.043 10.331 1.00 1.00 H new ATOM 0 HG23 THR A 62 68.546 -1.318 10.719 1.00 1.00 H new ATOM 915 N ASP A 63 69.099 -0.122 6.179 1.00 1.00 N ATOM 916 CA ASP A 63 68.779 0.618 4.927 1.00 1.00 C ATOM 917 C ASP A 63 68.674 -0.373 3.766 1.00 1.00 C ATOM 918 O ASP A 63 69.151 -0.123 2.678 1.00 1.00 O ATOM 919 CB ASP A 63 69.888 1.632 4.635 1.00 1.00 C ATOM 920 CG ASP A 63 70.163 2.463 5.890 1.00 1.00 C ATOM 921 OD1 ASP A 63 70.824 1.954 6.780 1.00 1.00 O ATOM 922 OD2 ASP A 63 69.709 3.594 5.939 1.00 1.00 O ATOM 0 H ASP A 63 70.040 0.028 6.544 1.00 1.00 H new ATOM 0 HA ASP A 63 67.831 1.143 5.045 1.00 1.00 H new ATOM 0 HB2 ASP A 63 70.795 1.115 4.322 1.00 1.00 H new ATOM 0 HB3 ASP A 63 69.593 2.283 3.812 1.00 1.00 H new ATOM 927 N ILE A 64 68.054 -1.499 3.996 1.00 1.00 N ATOM 928 CA ILE A 64 67.914 -2.517 2.914 1.00 1.00 C ATOM 929 C ILE A 64 69.287 -2.961 2.433 1.00 1.00 C ATOM 930 O ILE A 64 69.803 -2.467 1.454 1.00 1.00 O ATOM 931 CB ILE A 64 67.135 -1.940 1.734 1.00 1.00 C ATOM 932 CG1 ILE A 64 65.865 -1.257 2.248 1.00 1.00 C ATOM 933 CG2 ILE A 64 66.753 -3.068 0.773 1.00 1.00 C ATOM 934 CD1 ILE A 64 64.840 -2.320 2.649 1.00 1.00 C ATOM 0 H ILE A 64 67.637 -1.759 4.890 1.00 1.00 H new ATOM 0 HA ILE A 64 67.373 -3.372 3.319 1.00 1.00 H new ATOM 0 HB ILE A 64 67.755 -1.212 1.211 1.00 1.00 H new ATOM 0 HG12 ILE A 64 66.101 -0.623 3.103 1.00 1.00 H new ATOM 0 HG13 ILE A 64 65.450 -0.609 1.476 1.00 1.00 H new ATOM 0 HG21 ILE A 64 66.197 -2.656 -0.069 1.00 1.00 H new ATOM 0 HG22 ILE A 64 67.656 -3.556 0.407 1.00 1.00 H new ATOM 0 HG23 ILE A 64 66.133 -3.797 1.295 1.00 1.00 H new ATOM 0 HD11 ILE A 64 63.936 -1.834 3.015 1.00 1.00 H new ATOM 0 HD12 ILE A 64 64.596 -2.935 1.783 1.00 1.00 H new ATOM 0 HD13 ILE A 64 65.257 -2.949 3.435 1.00 1.00 H new ATOM 946 N THR A 65 69.875 -3.910 3.097 1.00 1.00 N ATOM 947 CA THR A 65 71.201 -4.395 2.650 1.00 1.00 C ATOM 948 C THR A 65 71.019 -5.125 1.324 1.00 1.00 C ATOM 949 O THR A 65 70.359 -4.634 0.430 1.00 1.00 O ATOM 950 CB THR A 65 71.785 -5.351 3.694 1.00 1.00 C ATOM 951 OG1 THR A 65 71.514 -4.851 4.995 1.00 1.00 O ATOM 952 CG2 THR A 65 73.297 -5.466 3.494 1.00 1.00 C ATOM 0 H THR A 65 69.496 -4.368 3.926 1.00 1.00 H new ATOM 0 HA THR A 65 71.886 -3.556 2.527 1.00 1.00 H new ATOM 0 HB THR A 65 71.330 -6.335 3.581 1.00 1.00 H new ATOM 0 HG1 THR A 65 71.886 -5.463 5.664 1.00 1.00 H new ATOM 0 HG21 THR A 65 73.712 -6.147 4.238 1.00 1.00 H new ATOM 0 HG22 THR A 65 73.504 -5.850 2.495 1.00 1.00 H new ATOM 0 HG23 THR A 65 73.755 -4.483 3.607 1.00 1.00 H new ATOM 960 N VAL A 66 71.585 -6.294 1.189 1.00 1.00 N ATOM 961 CA VAL A 66 71.433 -7.058 -0.083 1.00 1.00 C ATOM 962 C VAL A 66 71.436 -6.088 -1.267 1.00 1.00 C ATOM 963 O VAL A 66 72.475 -5.740 -1.791 1.00 1.00 O ATOM 964 CB VAL A 66 70.115 -7.834 -0.054 1.00 1.00 C ATOM 965 CG1 VAL A 66 70.015 -8.718 -1.299 1.00 1.00 C ATOM 966 CG2 VAL A 66 70.069 -8.712 1.198 1.00 1.00 C ATOM 0 H VAL A 66 72.147 -6.754 1.906 1.00 1.00 H new ATOM 0 HA VAL A 66 72.262 -7.757 -0.190 1.00 1.00 H new ATOM 0 HB VAL A 66 69.281 -7.133 -0.039 1.00 1.00 H new ATOM 0 HG11 VAL A 66 69.076 -9.271 -1.278 1.00 1.00 H new ATOM 0 HG12 VAL A 66 70.049 -8.094 -2.192 1.00 1.00 H new ATOM 0 HG13 VAL A 66 70.849 -9.420 -1.315 1.00 1.00 H new ATOM 0 HG21 VAL A 66 69.130 -9.266 1.220 1.00 1.00 H new ATOM 0 HG22 VAL A 66 70.903 -9.413 1.182 1.00 1.00 H new ATOM 0 HG23 VAL A 66 70.141 -8.084 2.086 1.00 1.00 H new ATOM 976 N ILE A 67 70.279 -5.640 -1.688 1.00 1.00 N ATOM 977 CA ILE A 67 70.221 -4.683 -2.832 1.00 1.00 C ATOM 978 C ILE A 67 69.235 -3.548 -2.522 1.00 1.00 C ATOM 979 O ILE A 67 68.065 -3.625 -2.843 1.00 1.00 O ATOM 980 CB ILE A 67 69.762 -5.423 -4.094 1.00 1.00 C ATOM 981 CG1 ILE A 67 70.864 -6.381 -4.551 1.00 1.00 C ATOM 982 CG2 ILE A 67 69.476 -4.411 -5.205 1.00 1.00 C ATOM 983 CD1 ILE A 67 70.292 -7.370 -5.569 1.00 1.00 C ATOM 0 H ILE A 67 69.376 -5.896 -1.289 1.00 1.00 H new ATOM 0 HA ILE A 67 71.213 -4.261 -2.992 1.00 1.00 H new ATOM 0 HB ILE A 67 68.856 -5.987 -3.874 1.00 1.00 H new ATOM 0 HG12 ILE A 67 71.686 -5.820 -4.995 1.00 1.00 H new ATOM 0 HG13 ILE A 67 71.271 -6.919 -3.695 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.150 -4.938 -6.102 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.692 -3.727 -4.881 1.00 1.00 H new ATOM 0 HG23 ILE A 67 70.382 -3.847 -5.425 1.00 1.00 H new ATOM 0 HD11 ILE A 67 71.077 -8.052 -5.894 1.00 1.00 H new ATOM 0 HD12 ILE A 67 69.484 -7.939 -5.109 1.00 1.00 H new ATOM 0 HD13 ILE A 67 69.906 -6.824 -6.430 1.00 1.00 H new ATOM 995 N CYS A 68 69.700 -2.487 -1.918 1.00 1.00 N ATOM 996 CA CYS A 68 68.797 -1.342 -1.612 1.00 1.00 C ATOM 997 C CYS A 68 68.322 -0.710 -2.923 1.00 1.00 C ATOM 998 O CYS A 68 69.021 -0.732 -3.916 1.00 1.00 O ATOM 999 CB CYS A 68 69.564 -0.300 -0.795 1.00 1.00 C ATOM 1000 SG CYS A 68 70.848 0.449 -1.828 1.00 1.00 S ATOM 0 H CYS A 68 70.669 -2.365 -1.623 1.00 1.00 H new ATOM 0 HA CYS A 68 67.937 -1.693 -1.042 1.00 1.00 H new ATOM 0 HB2 CYS A 68 68.881 0.468 -0.431 1.00 1.00 H new ATOM 0 HB3 CYS A 68 70.014 -0.768 0.081 1.00 1.00 H new ATOM 1005 N PRO A 69 67.140 -0.142 -2.934 1.00 1.00 N ATOM 1006 CA PRO A 69 66.581 0.508 -4.156 1.00 1.00 C ATOM 1007 C PRO A 69 67.471 1.655 -4.647 1.00 1.00 C ATOM 1008 O PRO A 69 67.261 2.207 -5.709 1.00 1.00 O ATOM 1009 CB PRO A 69 65.205 1.033 -3.713 1.00 1.00 C ATOM 1010 CG PRO A 69 65.234 1.040 -2.219 1.00 1.00 C ATOM 1011 CD PRO A 69 66.217 -0.052 -1.794 1.00 1.00 C ATOM 0 HA PRO A 69 66.517 -0.188 -4.992 1.00 1.00 H new ATOM 0 HB2 PRO A 69 65.023 2.034 -4.105 1.00 1.00 H new ATOM 0 HB3 PRO A 69 64.404 0.394 -4.086 1.00 1.00 H new ATOM 0 HG2 PRO A 69 65.550 2.013 -1.843 1.00 1.00 H new ATOM 0 HG3 PRO A 69 64.242 0.847 -1.812 1.00 1.00 H new ATOM 0 HD2 PRO A 69 66.739 0.213 -0.874 1.00 1.00 H new ATOM 0 HD3 PRO A 69 65.710 -1.000 -1.611 1.00 1.00 H new ATOM 1019 N TRP A 70 68.467 2.009 -3.882 1.00 1.00 N ATOM 1020 CA TRP A 70 69.378 3.112 -4.301 1.00 1.00 C ATOM 1021 C TRP A 70 70.385 2.562 -5.317 1.00 1.00 C ATOM 1022 O TRP A 70 71.092 3.298 -5.975 1.00 1.00 O ATOM 1023 CB TRP A 70 70.123 3.642 -3.068 1.00 1.00 C ATOM 1024 CG TRP A 70 70.523 5.065 -3.293 1.00 1.00 C ATOM 1025 CD1 TRP A 70 70.570 5.678 -4.498 1.00 1.00 C ATOM 1026 CD2 TRP A 70 70.932 6.062 -2.310 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.981 6.985 -4.319 1.00 1.00 N ATOM 1028 CE2 TRP A 70 71.217 7.271 -2.990 1.00 1.00 C ATOM 1029 CE3 TRP A 70 71.082 6.035 -0.913 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 71.636 8.414 -2.303 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 71.502 7.180 -0.221 1.00 1.00 C ATOM 1032 CH2 TRP A 70 71.779 8.367 -0.913 1.00 1.00 C ATOM 0 HA TRP A 70 68.807 3.922 -4.754 1.00 1.00 H new ATOM 0 HB2 TRP A 70 69.486 3.568 -2.187 1.00 1.00 H new ATOM 0 HB3 TRP A 70 71.006 3.032 -2.875 1.00 1.00 H new ATOM 0 HD1 TRP A 70 70.326 5.220 -5.445 1.00 1.00 H new ATOM 0 HE1 TRP A 70 71.096 7.657 -5.078 1.00 1.00 H new ATOM 0 HE3 TRP A 70 70.872 5.126 -0.369 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 71.848 9.326 -2.842 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 71.613 7.147 0.853 1.00 1.00 H new ATOM 0 HH2 TRP A 70 72.103 9.245 -0.373 1.00 1.00 H new ATOM 1043 N GLU A 71 70.455 1.265 -5.445 1.00 1.00 N ATOM 1044 CA GLU A 71 71.414 0.659 -6.411 1.00 1.00 C ATOM 1045 C GLU A 71 70.727 0.479 -7.768 1.00 1.00 C ATOM 1046 O GLU A 71 71.369 0.442 -8.799 1.00 1.00 O ATOM 1047 CB GLU A 71 71.868 -0.704 -5.881 1.00 1.00 C ATOM 1048 CG GLU A 71 72.897 -0.501 -4.768 1.00 1.00 C ATOM 1049 CD GLU A 71 74.215 -0.013 -5.373 1.00 1.00 C ATOM 1050 OE1 GLU A 71 74.760 -0.720 -6.205 1.00 1.00 O ATOM 1051 OE2 GLU A 71 74.657 1.059 -4.993 1.00 1.00 O ATOM 0 H GLU A 71 69.888 0.598 -4.921 1.00 1.00 H new ATOM 0 HA GLU A 71 72.279 1.312 -6.529 1.00 1.00 H new ATOM 0 HB2 GLU A 71 71.012 -1.262 -5.502 1.00 1.00 H new ATOM 0 HB3 GLU A 71 72.301 -1.294 -6.688 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.527 0.225 -4.044 1.00 1.00 H new ATOM 0 HG3 GLU A 71 73.056 -1.436 -4.230 1.00 1.00 H new ATOM 1058 N ALA A 72 69.427 0.366 -7.776 1.00 1.00 N ATOM 1059 CA ALA A 72 68.703 0.188 -9.067 1.00 1.00 C ATOM 1060 C ALA A 72 68.984 1.383 -9.980 1.00 1.00 C ATOM 1061 O ALA A 72 68.591 1.404 -11.129 1.00 1.00 O ATOM 1062 CB ALA A 72 67.199 0.093 -8.799 1.00 1.00 C ATOM 0 H ALA A 72 68.835 0.389 -6.946 1.00 1.00 H new ATOM 0 HA ALA A 72 69.045 -0.727 -9.552 1.00 1.00 H new ATOM 0 HB1 ALA A 72 66.669 -0.037 -9.742 1.00 1.00 H new ATOM 0 HB2 ALA A 72 66.998 -0.759 -8.149 1.00 1.00 H new ATOM 0 HB3 ALA A 72 66.857 1.007 -8.314 1.00 1.00 H new ATOM 1068 N CYS A 73 69.661 2.379 -9.478 1.00 1.00 N ATOM 1069 CA CYS A 73 69.967 3.571 -10.318 1.00 1.00 C ATOM 1070 C CYS A 73 71.048 3.212 -11.339 1.00 1.00 C ATOM 1071 O CYS A 73 70.972 3.584 -12.493 1.00 1.00 O ATOM 1072 CB CYS A 73 70.464 4.709 -9.424 1.00 1.00 C ATOM 1073 SG CYS A 73 70.942 6.122 -10.450 1.00 1.00 S ATOM 0 H CYS A 73 70.015 2.419 -8.522 1.00 1.00 H new ATOM 0 HA CYS A 73 69.066 3.888 -10.842 1.00 1.00 H new ATOM 0 HB2 CYS A 73 69.682 5.003 -8.724 1.00 1.00 H new ATOM 0 HB3 CYS A 73 71.314 4.374 -8.830 1.00 1.00 H new ATOM 1078 N ASN A 74 72.054 2.490 -10.921 1.00 1.00 N ATOM 1079 CA ASN A 74 73.147 2.100 -11.861 1.00 1.00 C ATOM 1080 C ASN A 74 73.481 0.620 -11.660 1.00 1.00 C ATOM 1081 O ASN A 74 73.302 0.074 -10.589 1.00 1.00 O ATOM 1082 CB ASN A 74 74.393 2.947 -11.573 1.00 1.00 C ATOM 1083 CG ASN A 74 74.256 4.310 -12.255 1.00 1.00 C ATOM 1084 OD1 ASN A 74 75.151 5.128 -12.188 1.00 1.00 O ATOM 1085 ND2 ASN A 74 73.164 4.589 -12.913 1.00 1.00 N ATOM 0 H ASN A 74 72.166 2.152 -9.965 1.00 1.00 H new ATOM 0 HA ASN A 74 72.823 2.266 -12.888 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.516 3.078 -10.498 1.00 1.00 H new ATOM 0 HB3 ASN A 74 75.285 2.436 -11.936 1.00 1.00 H new ATOM 1092 N HIS A 75 73.968 -0.033 -12.680 1.00 1.00 N ATOM 1093 CA HIS A 75 74.316 -1.475 -12.544 1.00 1.00 C ATOM 1094 C HIS A 75 75.564 -1.615 -11.671 1.00 1.00 C ATOM 1095 O HIS A 75 76.362 -2.513 -11.854 1.00 1.00 O ATOM 1096 CB HIS A 75 74.596 -2.064 -13.929 1.00 1.00 C ATOM 1097 CG HIS A 75 73.302 -2.219 -14.680 1.00 1.00 C ATOM 1098 ND1 HIS A 75 72.234 -1.353 -14.500 1.00 1.00 N ATOM 1099 CD2 HIS A 75 72.889 -3.135 -15.618 1.00 1.00 C ATOM 1100 CE1 HIS A 75 71.240 -1.759 -15.309 1.00 1.00 C ATOM 1101 NE2 HIS A 75 71.587 -2.840 -16.010 1.00 1.00 N ATOM 0 HA HIS A 75 73.485 -2.009 -12.082 1.00 1.00 H new ATOM 0 HB2 HIS A 75 75.274 -1.414 -14.482 1.00 1.00 H new ATOM 0 HB3 HIS A 75 75.090 -3.031 -13.832 1.00 1.00 H new ATOM 0 HD2 HIS A 75 73.483 -3.956 -15.992 1.00 1.00 H new ATOM 0 HE1 HIS A 75 70.280 -1.271 -15.382 1.00 1.00 H new ATOM 0 HE2 HIS A 75 71.018 -3.344 -16.690 1.00 1.00 H new ATOM 1110 N CYS A 76 75.743 -0.732 -10.727 1.00 1.00 N ATOM 1111 CA CYS A 76 76.943 -0.813 -9.849 1.00 1.00 C ATOM 1112 C CYS A 76 78.206 -0.713 -10.707 1.00 1.00 C ATOM 1113 O CYS A 76 79.313 -0.805 -10.215 1.00 1.00 O ATOM 1114 CB CYS A 76 76.934 -2.148 -9.095 1.00 1.00 C ATOM 1115 SG CYS A 76 77.177 -1.844 -7.327 1.00 1.00 S ATOM 0 H CYS A 76 75.110 0.042 -10.526 1.00 1.00 H new ATOM 0 HA CYS A 76 76.928 0.006 -9.130 1.00 1.00 H new ATOM 0 HB2 CYS A 76 75.988 -2.664 -9.259 1.00 1.00 H new ATOM 0 HB3 CYS A 76 77.722 -2.798 -9.475 1.00 1.00 H new ATOM 1120 N GLU A 77 78.046 -0.523 -11.989 1.00 1.00 N ATOM 1121 CA GLU A 77 79.233 -0.415 -12.881 1.00 1.00 C ATOM 1122 C GLU A 77 80.118 0.741 -12.409 1.00 1.00 C ATOM 1123 O GLU A 77 79.753 1.497 -11.530 1.00 1.00 O ATOM 1124 CB GLU A 77 78.764 -0.159 -14.323 1.00 1.00 C ATOM 1125 CG GLU A 77 79.343 -1.232 -15.248 1.00 1.00 C ATOM 1126 CD GLU A 77 78.658 -2.571 -14.967 1.00 1.00 C ATOM 1127 OE1 GLU A 77 79.059 -3.233 -14.025 1.00 1.00 O ATOM 1128 OE2 GLU A 77 77.744 -2.912 -15.700 1.00 1.00 O ATOM 0 H GLU A 77 77.143 -0.438 -12.456 1.00 1.00 H new ATOM 0 HA GLU A 77 79.805 -1.342 -12.848 1.00 1.00 H new ATOM 0 HB2 GLU A 77 77.675 -0.173 -14.370 1.00 1.00 H new ATOM 0 HB3 GLU A 77 79.085 0.830 -14.651 1.00 1.00 H new ATOM 0 HG2 GLU A 77 79.195 -0.947 -16.290 1.00 1.00 H new ATOM 0 HG3 GLU A 77 80.418 -1.321 -15.091 1.00 1.00 H new ATOM 1135 N LEU A 78 81.278 0.884 -12.987 1.00 1.00 N ATOM 1136 CA LEU A 78 82.188 1.990 -12.576 1.00 1.00 C ATOM 1137 C LEU A 78 83.081 2.373 -13.759 1.00 1.00 C ATOM 1138 O LEU A 78 83.993 3.166 -13.629 1.00 1.00 O ATOM 1139 CB LEU A 78 83.055 1.530 -11.398 1.00 1.00 C ATOM 1140 CG LEU A 78 83.363 0.038 -11.540 1.00 1.00 C ATOM 1141 CD1 LEU A 78 84.041 -0.218 -12.887 1.00 1.00 C ATOM 1142 CD2 LEU A 78 84.296 -0.398 -10.409 1.00 1.00 C ATOM 0 H LEU A 78 81.636 0.281 -13.728 1.00 1.00 H new ATOM 0 HA LEU A 78 81.600 2.855 -12.270 1.00 1.00 H new ATOM 0 HB2 LEU A 78 83.982 2.102 -11.371 1.00 1.00 H new ATOM 0 HB3 LEU A 78 82.537 1.717 -10.457 1.00 1.00 H new ATOM 0 HG LEU A 78 82.435 -0.531 -11.487 1.00 1.00 H new ATOM 0 HD11 LEU A 78 84.260 -1.281 -12.988 1.00 1.00 H new ATOM 0 HD12 LEU A 78 83.377 0.094 -13.693 1.00 1.00 H new ATOM 0 HD13 LEU A 78 84.969 0.351 -12.941 1.00 1.00 H new ATOM 0 HD21 LEU A 78 84.517 -1.461 -10.509 1.00 1.00 H new ATOM 0 HD22 LEU A 78 85.224 0.172 -10.463 1.00 1.00 H new ATOM 0 HD23 LEU A 78 83.813 -0.216 -9.449 1.00 1.00 H new ATOM 1154 N HIS A 79 82.824 1.812 -14.912 1.00 1.00 N ATOM 1155 CA HIS A 79 83.651 2.135 -16.112 1.00 1.00 C ATOM 1156 C HIS A 79 82.815 2.957 -17.098 1.00 1.00 C ATOM 1157 O HIS A 79 83.304 3.874 -17.727 1.00 1.00 O ATOM 1158 CB HIS A 79 84.099 0.831 -16.783 1.00 1.00 C ATOM 1159 CG HIS A 79 85.346 1.082 -17.586 1.00 1.00 C ATOM 1160 ND1 HIS A 79 85.338 1.114 -18.972 1.00 1.00 N ATOM 1161 CD2 HIS A 79 86.647 1.314 -17.211 1.00 1.00 C ATOM 1162 CE1 HIS A 79 86.596 1.357 -19.381 1.00 1.00 C ATOM 1163 NE2 HIS A 79 87.432 1.487 -18.348 1.00 1.00 N ATOM 0 H HIS A 79 82.073 1.141 -15.074 1.00 1.00 H new ATOM 0 HA HIS A 79 84.527 2.710 -15.811 1.00 1.00 H new ATOM 0 HB2 HIS A 79 84.287 0.067 -16.028 1.00 1.00 H new ATOM 0 HB3 HIS A 79 83.308 0.452 -17.430 1.00 1.00 H new ATOM 0 HD1 HIS A 79 84.525 0.978 -19.573 1.00 1.00 H new ATOM 0 HD2 HIS A 79 87.005 1.356 -16.193 1.00 1.00 H new ATOM 0 HE1 HIS A 79 86.893 1.437 -20.416 1.00 1.00 H new ATOM 1172 N GLU A 80 81.555 2.633 -17.235 1.00 1.00 N ATOM 1173 CA GLU A 80 80.683 3.393 -18.179 1.00 1.00 C ATOM 1174 C GLU A 80 79.873 4.433 -17.401 1.00 1.00 C ATOM 1175 O GLU A 80 79.876 5.604 -17.725 1.00 1.00 O ATOM 1176 CB GLU A 80 79.726 2.425 -18.881 1.00 1.00 C ATOM 1177 CG GLU A 80 80.491 1.625 -19.937 1.00 1.00 C ATOM 1178 CD GLU A 80 81.441 0.645 -19.247 1.00 1.00 C ATOM 1179 OE1 GLU A 80 81.100 0.177 -18.173 1.00 1.00 O ATOM 1180 OE2 GLU A 80 82.494 0.379 -19.803 1.00 1.00 O ATOM 0 H GLU A 80 81.092 1.875 -16.734 1.00 1.00 H new ATOM 0 HA GLU A 80 81.303 3.895 -18.921 1.00 1.00 H new ATOM 0 HB2 GLU A 80 79.277 1.750 -18.153 1.00 1.00 H new ATOM 0 HB3 GLU A 80 78.911 2.978 -19.348 1.00 1.00 H new ATOM 0 HG2 GLU A 80 79.792 1.083 -20.574 1.00 1.00 H new ATOM 0 HG3 GLU A 80 81.054 2.300 -20.582 1.00 1.00 H new ATOM 1187 N LEU A 81 79.178 4.016 -16.377 1.00 1.00 N ATOM 1188 CA LEU A 81 78.367 4.981 -15.581 1.00 1.00 C ATOM 1189 C LEU A 81 79.265 5.699 -14.572 1.00 1.00 C ATOM 1190 O LEU A 81 78.811 6.166 -13.547 1.00 1.00 O ATOM 1191 CB LEU A 81 77.259 4.234 -14.835 1.00 1.00 C ATOM 1192 CG LEU A 81 76.569 3.257 -15.788 1.00 1.00 C ATOM 1193 CD1 LEU A 81 75.340 2.656 -15.104 1.00 1.00 C ATOM 1194 CD2 LEU A 81 76.135 4.001 -17.053 1.00 1.00 C ATOM 0 H LEU A 81 79.137 3.048 -16.057 1.00 1.00 H new ATOM 0 HA LEU A 81 77.920 5.712 -16.254 1.00 1.00 H new ATOM 0 HB2 LEU A 81 77.678 3.695 -13.986 1.00 1.00 H new ATOM 0 HB3 LEU A 81 76.533 4.943 -14.436 1.00 1.00 H new ATOM 0 HG LEU A 81 77.262 2.459 -16.054 1.00 1.00 H new ATOM 0 HD11 LEU A 81 74.849 1.960 -15.784 1.00 1.00 H new ATOM 0 HD12 LEU A 81 75.648 2.126 -14.203 1.00 1.00 H new ATOM 0 HD13 LEU A 81 74.646 3.453 -14.837 1.00 1.00 H new ATOM 0 HD21 LEU A 81 75.643 3.306 -17.733 1.00 1.00 H new ATOM 0 HD22 LEU A 81 75.442 4.799 -16.786 1.00 1.00 H new ATOM 0 HD23 LEU A 81 77.010 4.429 -17.542 1.00 1.00 H new ATOM 1206 N ALA A 82 80.537 5.792 -14.854 1.00 1.00 N ATOM 1207 CA ALA A 82 81.461 6.484 -13.910 1.00 1.00 C ATOM 1208 C ALA A 82 81.061 7.958 -13.797 1.00 1.00 C ATOM 1209 O ALA A 82 81.747 8.834 -14.285 1.00 1.00 O ATOM 1210 CB ALA A 82 82.898 6.378 -14.431 1.00 1.00 C ATOM 0 H ALA A 82 80.975 5.419 -15.696 1.00 1.00 H new ATOM 0 HA ALA A 82 81.399 6.015 -12.928 1.00 1.00 H new ATOM 0 HB1 ALA A 82 83.573 6.884 -13.741 1.00 1.00 H new ATOM 0 HB2 ALA A 82 83.180 5.328 -14.510 1.00 1.00 H new ATOM 0 HB3 ALA A 82 82.965 6.847 -15.413 1.00 1.00 H new ATOM 1216 N GLN A 83 79.956 8.240 -13.154 1.00 1.00 N ATOM 1217 CA GLN A 83 79.522 9.661 -13.009 1.00 1.00 C ATOM 1218 C GLN A 83 80.735 10.507 -12.627 1.00 1.00 C ATOM 1219 O GLN A 83 81.338 11.157 -13.457 1.00 1.00 O ATOM 1220 CB GLN A 83 78.455 9.764 -11.915 1.00 1.00 C ATOM 1221 CG GLN A 83 77.885 11.184 -11.890 1.00 1.00 C ATOM 1222 CD GLN A 83 77.083 11.435 -13.168 1.00 1.00 C ATOM 1223 OE1 GLN A 83 77.597 11.981 -14.124 1.00 1.00 O ATOM 1224 NE2 GLN A 83 75.835 11.058 -13.225 1.00 1.00 N ATOM 0 H GLN A 83 79.339 7.550 -12.725 1.00 1.00 H new ATOM 0 HA GLN A 83 79.101 10.019 -13.949 1.00 1.00 H new ATOM 0 HB2 GLN A 83 77.658 9.044 -12.101 1.00 1.00 H new ATOM 0 HB3 GLN A 83 78.888 9.517 -10.946 1.00 1.00 H new ATOM 0 HG2 GLN A 83 77.247 11.316 -11.016 1.00 1.00 H new ATOM 0 HG3 GLN A 83 78.694 11.910 -11.807 1.00 1.00 H new ATOM 0 HE21 GLN A 83 75.404 10.600 -12.422 1.00 1.00 H new ATOM 0 HE22 GLN A 83 75.291 11.222 -14.072 1.00 1.00 H new ATOM 1233 N TYR A 84 81.115 10.483 -11.380 1.00 1.00 N ATOM 1234 CA TYR A 84 82.308 11.263 -10.951 1.00 1.00 C ATOM 1235 C TYR A 84 83.530 10.348 -11.056 1.00 1.00 C ATOM 1236 O TYR A 84 84.570 10.733 -11.547 1.00 1.00 O ATOM 1237 CB TYR A 84 82.130 11.741 -9.499 1.00 1.00 C ATOM 1238 CG TYR A 84 80.696 11.536 -9.074 1.00 1.00 C ATOM 1239 CD1 TYR A 84 79.735 12.514 -9.357 1.00 1.00 C ATOM 1240 CD2 TYR A 84 80.327 10.368 -8.396 1.00 1.00 C ATOM 1241 CE1 TYR A 84 78.405 12.325 -8.963 1.00 1.00 C ATOM 1242 CE2 TYR A 84 78.997 10.178 -8.002 1.00 1.00 C ATOM 1243 CZ TYR A 84 78.036 11.156 -8.285 1.00 1.00 C ATOM 1244 OH TYR A 84 76.725 10.969 -7.897 1.00 1.00 O ATOM 0 H TYR A 84 80.651 9.957 -10.640 1.00 1.00 H new ATOM 0 HA TYR A 84 82.436 12.140 -11.585 1.00 1.00 H new ATOM 0 HB2 TYR A 84 82.799 11.189 -8.839 1.00 1.00 H new ATOM 0 HB3 TYR A 84 82.398 12.794 -9.416 1.00 1.00 H new ATOM 0 HD1 TYR A 84 80.020 13.415 -9.880 1.00 1.00 H new ATOM 0 HD2 TYR A 84 81.068 9.614 -8.177 1.00 1.00 H new ATOM 0 HE1 TYR A 84 77.664 13.080 -9.182 1.00 1.00 H new ATOM 0 HE2 TYR A 84 78.712 9.277 -7.480 1.00 1.00 H new ATOM 0 HH TYR A 84 76.639 10.106 -7.440 1.00 1.00 H new ATOM 1254 N GLY A 85 83.395 9.128 -10.613 1.00 1.00 N ATOM 1255 CA GLY A 85 84.529 8.163 -10.694 1.00 1.00 C ATOM 1256 C GLY A 85 85.835 8.836 -10.270 1.00 1.00 C ATOM 1257 O GLY A 85 85.933 9.395 -9.196 1.00 1.00 O ATOM 0 H GLY A 85 82.542 8.756 -10.196 1.00 1.00 H new ATOM 0 HA2 GLY A 85 84.330 7.304 -10.053 1.00 1.00 H new ATOM 0 HA3 GLY A 85 84.621 7.786 -11.712 1.00 1.00 H new ATOM 1261 N ILE A 86 86.840 8.764 -11.109 1.00 1.00 N ATOM 1262 CA ILE A 86 88.173 9.374 -10.785 1.00 1.00 C ATOM 1263 C ILE A 86 88.330 9.544 -9.270 1.00 1.00 C ATOM 1264 O ILE A 86 88.648 10.610 -8.783 1.00 1.00 O ATOM 1265 CB ILE A 86 88.320 10.736 -11.478 1.00 1.00 C ATOM 1266 CG1 ILE A 86 87.203 11.670 -11.007 1.00 1.00 C ATOM 1267 CG2 ILE A 86 88.223 10.552 -12.994 1.00 1.00 C ATOM 1268 CD1 ILE A 86 87.797 13.029 -10.632 1.00 1.00 C ATOM 0 H ILE A 86 86.795 8.303 -12.018 1.00 1.00 H new ATOM 0 HA ILE A 86 88.953 8.705 -11.148 1.00 1.00 H new ATOM 0 HB ILE A 86 89.288 11.168 -11.226 1.00 1.00 H new ATOM 0 HG12 ILE A 86 86.460 11.791 -11.795 1.00 1.00 H new ATOM 0 HG13 ILE A 86 86.690 11.236 -10.149 1.00 1.00 H new ATOM 0 HG21 ILE A 86 88.327 11.519 -13.485 1.00 1.00 H new ATOM 0 HG22 ILE A 86 89.017 9.886 -13.331 1.00 1.00 H new ATOM 0 HG23 ILE A 86 87.255 10.119 -13.247 1.00 1.00 H new ATOM 0 HD11 ILE A 86 87.001 13.694 -10.297 1.00 1.00 H new ATOM 0 HD12 ILE A 86 88.524 12.900 -9.830 1.00 1.00 H new ATOM 0 HD13 ILE A 86 88.290 13.463 -11.502 1.00 1.00 H new ATOM 1280 N CYS A 87 88.108 8.495 -8.525 1.00 1.00 N ATOM 1281 CA CYS A 87 88.243 8.584 -7.044 1.00 1.00 C ATOM 1282 C CYS A 87 89.693 8.912 -6.684 1.00 1.00 C ATOM 1283 CB CYS A 87 87.851 7.244 -6.417 1.00 1.00 C ATOM 1284 SG CYS A 87 88.380 7.209 -4.686 1.00 1.00 S ATOM 0 H CYS A 87 87.838 7.578 -8.880 1.00 1.00 H new ATOM 0 HA CYS A 87 87.589 9.369 -6.664 1.00 1.00 H new ATOM 0 HB2 CYS A 87 86.772 7.102 -6.482 1.00 1.00 H new ATOM 0 HB3 CYS A 87 88.314 6.424 -6.966 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 62.526 11.351 6.175 1.00 1.00 C HETATM 1291 O1G RCY A 110 62.608 12.598 1.088 1.00 1.00 O HETATM 1292 O1H RCY A 110 61.182 10.309 4.964 1.00 1.00 O HETATM 1293 O1J RCY A 110 64.224 8.916 5.669 1.00 1.00 O HETATM 1294 C1L RCY A 110 60.695 11.151 1.569 1.00 1.00 C HETATM 1295 C1M RCY A 110 64.899 11.929 3.395 1.00 1.00 C HETATM 1296 C1P RCY A 110 62.007 11.881 1.886 1.00 1.00 C HETATM 1297 C1Q RCY A 110 61.444 10.591 3.796 1.00 1.00 C HETATM 1298 N1R RCY A 110 62.473 11.606 3.314 1.00 1.00 N HETATM 1299 C1S RCY A 110 60.797 9.988 2.563 1.00 1.00 C HETATM 1300 C1U RCY A 110 63.664 12.193 4.075 1.00 1.00 C HETATM 1301 C1V RCY A 110 64.853 12.348 6.305 1.00 1.00 C HETATM 1302 N1V RCY A 110 64.456 10.218 5.050 1.00 1.00 N HETATM 1303 C1W RCY A 110 65.351 10.537 3.854 1.00 1.00 C HETATM 1304 C1X RCY A 110 63.858 11.559 5.452 1.00 1.00 C HETATM 1305 C1Y RCY A 110 66.822 10.561 4.277 1.00 1.00 C HETATM 1306 C1Z RCY A 110 65.121 9.491 2.763 1.00 1.00 C HETATM 0 H1ZB RCY A 110 64.060 9.448 2.518 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 65.688 9.763 1.873 1.00 1.00 H new HETATM 0 H1VB RCY A 110 64.435 13.327 6.539 1.00 1.00 H new HETATM 0 H1MA RCY A 110 64.762 11.957 2.314 1.00 1.00 H new HETATM 0 H1LA RCY A 110 59.818 11.774 1.744 1.00 1.00 H new HETATM 0 H1CB RCY A 110 62.030 12.313 6.308 1.00 1.00 H new HETATM 0 H1CA RCY A 110 61.889 10.694 5.583 1.00 1.00 H new HETATM 0 H1Z RCY A 110 65.451 8.515 3.119 1.00 1.00 H new HETATM 0 H1S RCY A 110 61.398 9.173 2.159 1.00 1.00 H new HETATM 0 H1M RCY A 110 65.648 12.682 3.641 1.00 1.00 H new HETATM 0 H1L RCY A 110 60.645 10.813 0.534 1.00 1.00 H new HETATM 0 H1C RCY A 110 62.708 10.898 7.150 1.00 1.00 H new HETATM 1309 C1C RCY A 121 69.603 9.357 4.541 1.00 1.00 C HETATM 1310 O1G RCY A 121 69.823 7.590 8.699 1.00 1.00 O HETATM 1311 O1H RCY A 121 70.106 12.211 7.765 1.00 1.00 O HETATM 1312 O1J RCY A 121 66.906 10.033 3.383 1.00 1.00 O HETATM 1313 C1L RCY A 121 71.249 9.387 9.551 1.00 1.00 C HETATM 1314 C1M RCY A 121 67.231 10.389 7.188 1.00 1.00 C HETATM 1315 C1P RCY A 121 70.161 8.772 8.661 1.00 1.00 C HETATM 1316 C1Q RCY A 121 70.400 11.042 8.011 1.00 1.00 C HETATM 1317 N1R RCY A 121 69.550 9.811 7.722 1.00 1.00 N HETATM 1318 C1S RCY A 121 71.682 10.559 8.664 1.00 1.00 C HETATM 1319 C1U RCY A 121 68.385 9.664 6.740 1.00 1.00 C HETATM 1320 C1V RCY A 121 69.242 11.685 5.478 1.00 1.00 C HETATM 1321 N1V RCY A 121 67.288 10.288 4.769 1.00 1.00 N HETATM 1322 C1W RCY A 121 66.374 10.639 5.941 1.00 1.00 C HETATM 1323 C1X RCY A 121 68.688 10.263 5.368 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.948 12.108 5.866 1.00 1.00 C HETATM 1325 C1Z RCY A 121 65.151 9.722 5.914 1.00 1.00 C HETATM 0 H1ZA RCY A 121 64.539 9.905 6.797 1.00 1.00 H new HETATM 0 H1YA RCY A 121 66.834 12.742 5.819 1.00 1.00 H new HETATM 0 H1VB RCY A 121 70.220 11.658 5.958 1.00 1.00 H new HETATM 0 H1VA RCY A 121 69.339 12.116 4.481 1.00 1.00 H new HETATM 0 H1MA RCY A 121 66.677 9.818 7.933 1.00 1.00 H new HETATM 0 H1LA RCY A 121 70.863 9.715 10.516 1.00 1.00 H new HETATM 0 H1CB RCY A 121 70.547 9.215 5.068 1.00 1.00 H new HETATM 0 H1CA RCY A 121 69.121 8.391 4.393 1.00 1.00 H new HETATM 0 H1V RCY A 121 68.562 12.295 6.073 1.00 1.00 H new HETATM 0 H1U RCY A 121 68.217 8.589 6.680 1.00 1.00 H new HETATM 0 H1S RCY A 121 72.412 10.243 7.918 1.00 1.00 H new HETATM 0 H1M RCY A 121 67.520 11.330 7.657 1.00 1.00 H new HETATM 0 H1L RCY A 121 72.065 8.693 9.753 1.00 1.00 H new HETATM 0 H1C RCY A 121 69.794 9.819 3.573 1.00 1.00 H new HETATM 1328 C1C RCY A 130 75.061 3.893 3.735 1.00 1.00 C HETATM 1329 O1G RCY A 130 74.727 3.482 5.873 1.00 1.00 O HETATM 1330 O1H RCY A 130 79.261 2.214 6.239 1.00 1.00 O HETATM 1331 O1J RCY A 130 77.308 5.809 3.145 1.00 1.00 O HETATM 1332 C1L RCY A 130 76.324 3.492 7.727 1.00 1.00 C HETATM 1333 C1M RCY A 130 78.295 2.116 3.453 1.00 1.00 C HETATM 1334 C1P RCY A 130 75.853 3.220 6.292 1.00 1.00 C HETATM 1335 C1Q RCY A 130 78.065 2.382 6.475 1.00 1.00 C HETATM 1336 N1R RCY A 130 76.956 2.582 5.449 1.00 1.00 N HETATM 1337 C1S RCY A 130 77.421 2.428 7.848 1.00 1.00 C HETATM 1338 C1U RCY A 130 76.958 2.231 3.960 1.00 1.00 C HETATM 1339 C1V RCY A 130 76.072 2.833 1.666 1.00 1.00 C HETATM 1340 N1V RCY A 130 77.441 4.356 3.107 1.00 1.00 N HETATM 1341 C1W RCY A 130 78.730 3.537 3.071 1.00 1.00 C HETATM 1342 C1X RCY A 130 76.327 3.319 3.094 1.00 1.00 C HETATM 1343 C1Y RCY A 130 79.337 3.555 1.665 1.00 1.00 C HETATM 1344 C1Z RCY A 130 79.715 4.109 4.090 1.00 1.00 C HETATM 0 H1ZB RCY A 130 79.244 4.143 5.072 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 80.601 3.476 4.135 1.00 1.00 H new HETATM 0 H1YB RCY A 130 80.208 2.900 1.636 1.00 1.00 H new HETATM 0 H1YA RCY A 130 78.597 3.207 0.945 1.00 1.00 H new HETATM 0 H1VB RCY A 130 75.311 2.053 1.678 1.00 1.00 H new HETATM 0 H1VA RCY A 130 75.727 3.667 1.054 1.00 1.00 H new HETATM 0 H1MA RCY A 130 78.962 1.693 4.205 1.00 1.00 H new HETATM 0 H1LA RCY A 130 76.708 4.504 7.856 1.00 1.00 H new HETATM 0 H1CB RCY A 130 74.329 3.097 3.871 1.00 1.00 H new HETATM 0 H1Z RCY A 130 80.004 5.117 3.791 1.00 1.00 H new HETATM 0 H1Y RCY A 130 79.639 4.571 1.412 1.00 1.00 H new HETATM 0 H1V RCY A 130 76.996 2.433 1.247 1.00 1.00 H new HETATM 0 H1U RCY A 130 76.398 1.298 3.903 1.00 1.00 H new HETATM 0 H1M RCY A 130 78.328 1.453 2.589 1.00 1.00 H new HETATM 1347 C1C RCY A 138 78.799 -1.319 0.463 1.00 1.00 C HETATM 1348 O1G RCY A 138 80.506 -3.480 0.878 1.00 1.00 O HETATM 1349 O1H RCY A 138 78.071 -6.122 -2.187 1.00 1.00 O HETATM 1350 O1J RCY A 138 76.645 0.277 -0.909 1.00 1.00 O HETATM 1351 C1L RCY A 138 80.438 -5.884 0.423 1.00 1.00 C HETATM 1352 C1M RCY A 138 77.151 -3.301 -2.191 1.00 1.00 C HETATM 1353 C1P RCY A 138 80.019 -4.418 0.248 1.00 1.00 C HETATM 1354 C1Q RCY A 138 78.628 -5.718 -1.167 1.00 1.00 C HETATM 1355 N1R RCY A 138 78.924 -4.268 -0.806 1.00 1.00 N HETATM 1356 C1S RCY A 138 79.150 -6.580 -0.031 1.00 1.00 C HETATM 1357 C1U RCY A 138 78.281 -2.996 -1.362 1.00 1.00 C HETATM 1358 C1V RCY A 138 76.815 -2.879 0.699 1.00 1.00 C HETATM 1359 N1V RCY A 138 76.861 -1.152 -1.114 1.00 1.00 N HETATM 1360 C1W RCY A 138 76.290 -2.033 -2.224 1.00 1.00 C HETATM 1361 C1X RCY A 138 77.704 -2.097 -0.269 1.00 1.00 C HETATM 1362 C1Y RCY A 138 74.823 -2.370 -1.938 1.00 1.00 C HETATM 1363 C1Z RCY A 138 76.424 -1.304 -3.561 1.00 1.00 C HETATM 0 H1ZB RCY A 138 77.465 -1.020 -3.718 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 76.102 -1.962 -4.368 1.00 1.00 H new HETATM 0 H1YB RCY A 138 74.456 -3.066 -2.692 1.00 1.00 H new HETATM 0 H1YA RCY A 138 74.740 -2.827 -0.952 1.00 1.00 H new HETATM 0 H1VB RCY A 138 77.423 -3.590 1.258 1.00 1.00 H new HETATM 0 H1VA RCY A 138 76.336 -2.188 1.393 1.00 1.00 H new HETATM 0 H1MA RCY A 138 77.469 -3.582 -3.195 1.00 1.00 H new HETATM 0 H1LA RCY A 138 81.296 -6.150 -0.195 1.00 1.00 H new HETATM 0 H1CB RCY A 138 79.494 -2.019 0.927 1.00 1.00 H new HETATM 0 H1CA RCY A 138 79.336 -0.691 -0.248 1.00 1.00 H new HETATM 0 H1Z RCY A 138 75.801 -0.410 -3.552 1.00 1.00 H new HETATM 0 H1V RCY A 138 76.051 -3.417 0.138 1.00 1.00 H new HETATM 0 H1U RCY A 138 79.088 -2.502 -1.904 1.00 1.00 H new HETATM 0 H1S RCY A 138 78.427 -6.645 0.782 1.00 1.00 H new HETATM 0 H1M RCY A 138 76.588 -4.143 -1.788 1.00 1.00 H new HETATM 0 H1L RCY A 138 80.701 -6.123 1.454 1.00 1.00 H new HETATM 0 H1C RCY A 138 78.348 -0.692 1.232 1.00 1.00 H new HETATM 1366 C1C RCY A 150 86.813 -3.550 -0.988 1.00 1.00 C HETATM 1367 O1G RCY A 150 87.508 -5.178 -2.767 1.00 1.00 O HETATM 1368 O1H RCY A 150 88.128 -1.169 -5.185 1.00 1.00 O HETATM 1369 O1J RCY A 150 88.169 -0.905 -0.504 1.00 1.00 O HETATM 1370 C1L RCY A 150 89.189 -4.441 -4.385 1.00 1.00 C HETATM 1371 C1M RCY A 150 85.757 -1.029 -3.483 1.00 1.00 C HETATM 1372 C1P RCY A 150 87.917 -4.311 -3.538 1.00 1.00 C HETATM 1373 C1Q RCY A 150 88.070 -2.359 -4.878 1.00 1.00 C HETATM 1374 N1R RCY A 150 87.220 -2.972 -3.772 1.00 1.00 N HETATM 1375 C1S RCY A 150 88.836 -3.492 -5.536 1.00 1.00 C HETATM 1376 C1U RCY A 150 85.987 -2.387 -3.080 1.00 1.00 C HETATM 1377 C1V RCY A 150 84.814 -1.995 -0.870 1.00 1.00 C HETATM 1378 N1V RCY A 150 87.080 -1.104 -1.456 1.00 1.00 N HETATM 1379 C1W RCY A 150 86.627 -0.159 -2.567 1.00 1.00 C HETATM 1380 C1X RCY A 150 86.144 -2.300 -1.563 1.00 1.00 C HETATM 1381 C1Y RCY A 150 85.808 0.997 -1.986 1.00 1.00 C HETATM 1382 C1Z RCY A 150 87.856 0.370 -3.307 1.00 1.00 C HETATM 0 H1ZB RCY A 150 88.456 -0.468 -3.661 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 87.537 0.973 -4.157 1.00 1.00 H new HETATM 0 H1YB RCY A 150 85.423 1.614 -2.798 1.00 1.00 H new HETATM 0 H1YA RCY A 150 84.975 0.598 -1.407 1.00 1.00 H new HETATM 0 H1VB RCY A 150 84.134 -2.837 -1.001 1.00 1.00 H new HETATM 0 H1VA RCY A 150 84.987 -1.831 0.194 1.00 1.00 H new HETATM 0 H1MA RCY A 150 86.025 -0.882 -4.529 1.00 1.00 H new HETATM 0 H1LA RCY A 150 90.083 -4.128 -3.846 1.00 1.00 H new HETATM 0 H1CB RCY A 150 86.207 -4.426 -1.219 1.00 1.00 H new HETATM 0 H1CA RCY A 150 87.803 -3.668 -1.428 1.00 1.00 H new HETATM 0 H1Z RCY A 150 88.452 0.983 -2.631 1.00 1.00 H new HETATM 0 H1Y RCY A 150 86.442 1.603 -1.339 1.00 1.00 H new HETATM 0 H1V RCY A 150 84.372 -1.100 -1.308 1.00 1.00 H new HETATM 0 H1U RCY A 150 85.177 -3.059 -3.362 1.00 1.00 H new HETATM 0 H1S RCY A 150 88.231 -3.993 -6.291 1.00 1.00 H new HETATM 0 H1M RCY A 150 84.704 -0.766 -3.384 1.00 1.00 H new HETATM 0 H1C RCY A 150 86.906 -3.448 0.093 1.00 1.00 H new HETATM 1385 C1C RCY A 160 77.958 5.723 3.341 1.00 1.00 C HETATM 1386 O1G RCY A 160 78.207 3.064 4.777 1.00 1.00 O HETATM 1387 O1H RCY A 160 73.552 3.393 5.500 1.00 1.00 O HETATM 1388 O1J RCY A 160 76.542 7.492 1.357 1.00 1.00 O HETATM 1389 C1L RCY A 160 76.712 2.170 6.496 1.00 1.00 C HETATM 1390 C1M RCY A 160 74.365 4.867 3.111 1.00 1.00 C HETATM 1391 C1P RCY A 160 77.074 2.985 5.247 1.00 1.00 C HETATM 1392 C1Q RCY A 160 74.769 3.347 5.678 1.00 1.00 C HETATM 1393 N1R RCY A 160 75.850 3.687 4.660 1.00 1.00 N HETATM 1394 C1S RCY A 160 75.471 2.940 6.961 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.730 4.519 3.382 1.00 1.00 C HETATM 1396 C1V RCY A 160 76.057 6.618 4.760 1.00 1.00 C HETATM 1397 N1V RCY A 160 75.862 6.571 2.264 1.00 1.00 N HETATM 1398 C1W RCY A 160 74.410 6.099 2.200 1.00 1.00 C HETATM 1399 C1X RCY A 160 76.441 5.868 3.483 1.00 1.00 C HETATM 1400 C1Y RCY A 160 73.469 7.189 2.720 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.066 5.735 0.755 1.00 1.00 C HETATM 0 H1ZB RCY A 160 74.783 5.003 0.383 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 73.062 5.312 0.716 1.00 1.00 H new HETATM 0 H1YB RCY A 160 72.449 6.807 2.746 1.00 1.00 H new HETATM 0 H1YA RCY A 160 73.772 7.482 3.725 1.00 1.00 H new HETATM 0 H1VB RCY A 160 76.430 6.074 5.628 1.00 1.00 H new HETATM 0 H1VA RCY A 160 76.495 7.616 4.741 1.00 1.00 H new HETATM 0 H1LA RCY A 160 76.494 1.127 6.265 1.00 1.00 H new HETATM 0 H1Z RCY A 160 74.107 6.630 0.135 1.00 1.00 H new HETATM 0 H1Y RCY A 160 73.515 8.055 2.060 1.00 1.00 H new HETATM 0 H1V RCY A 160 74.972 6.699 4.822 1.00 1.00 H new HETATM 0 H1C RCY A 160 78.426 6.704 3.418 1.00 1.00 H new HETATM 1404 C1C RCY A 168 68.505 4.494 -7.141 1.00 1.00 C HETATM 1405 O1G RCY A 168 69.887 4.564 -4.752 1.00 1.00 O HETATM 1406 O1H RCY A 168 68.778 0.042 -3.964 1.00 1.00 O HETATM 1407 O1J RCY A 168 65.698 4.403 -8.229 1.00 1.00 O HETATM 1408 C1L RCY A 168 70.776 2.861 -3.236 1.00 1.00 C HETATM 1409 C1M RCY A 168 66.465 1.965 -5.369 1.00 1.00 C HETATM 1410 C1P RCY A 168 69.826 3.420 -4.303 1.00 1.00 C HETATM 1411 C1Q RCY A 168 69.099 1.218 -3.802 1.00 1.00 C HETATM 1412 N1R RCY A 168 68.794 2.381 -4.738 1.00 1.00 N HETATM 1413 C1S RCY A 168 69.877 1.780 -2.626 1.00 1.00 C HETATM 1414 C1U RCY A 168 67.725 2.473 -5.829 1.00 1.00 C HETATM 1415 C1V RCY A 168 67.152 4.803 -5.019 1.00 1.00 C HETATM 1416 N1V RCY A 168 66.131 3.702 -7.024 1.00 1.00 N HETATM 1417 C1W RCY A 168 65.396 2.593 -6.272 1.00 1.00 C HETATM 1418 C1X RCY A 168 67.416 3.913 -6.235 1.00 1.00 C HETATM 1419 C1Y RCY A 168 64.258 3.180 -5.432 1.00 1.00 C HETATM 1420 C1Z RCY A 168 64.855 1.580 -7.280 1.00 1.00 C HETATM 0 H1ZB RCY A 168 65.670 1.220 -7.907 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 64.409 0.740 -6.748 1.00 1.00 H new HETATM 0 H1YB RCY A 168 63.799 2.389 -4.839 1.00 1.00 H new HETATM 0 H1YA RCY A 168 64.655 3.948 -4.768 1.00 1.00 H new HETATM 0 H1VB RCY A 168 68.067 4.901 -4.434 1.00 1.00 H new HETATM 0 H1VA RCY A 168 66.828 5.789 -5.353 1.00 1.00 H new HETATM 0 H1LA RCY A 168 71.690 2.451 -3.665 1.00 1.00 H new HETATM 0 H1CB RCY A 168 69.460 4.484 -6.615 1.00 1.00 H new HETATM 0 H1CA RCY A 168 68.584 3.893 -8.047 1.00 1.00 H new HETATM 0 H1Z RCY A 168 64.099 2.056 -7.905 1.00 1.00 H new HETATM 0 H1Y RCY A 168 63.510 3.621 -6.091 1.00 1.00 H new HETATM 0 H1V RCY A 168 66.373 4.355 -4.402 1.00 1.00 H new HETATM 0 H1U RCY A 168 68.138 1.901 -6.660 1.00 1.00 H new HETATM 0 H1S RCY A 168 69.209 2.199 -1.873 1.00 1.00 H new HETATM 0 H1C RCY A 168 68.248 5.519 -7.407 1.00 1.00 H new HETATM 1423 C1C RCY A 173 73.722 0.916 -12.097 1.00 1.00 C HETATM 1424 O1G RCY A 173 73.996 3.831 -13.889 1.00 1.00 O HETATM 1425 O1H RCY A 173 70.184 3.303 -11.153 1.00 1.00 O HETATM 1426 O1J RCY A 173 71.612 0.214 -10.066 1.00 1.00 O HETATM 1427 C1L RCY A 173 72.938 5.249 -12.199 1.00 1.00 C HETATM 1428 C1M RCY A 173 70.324 1.292 -13.513 1.00 1.00 C HETATM 1429 C1P RCY A 173 73.076 4.009 -13.092 1.00 1.00 C HETATM 1430 C1Q RCY A 173 71.044 3.784 -11.888 1.00 1.00 C HETATM 1431 N1R RCY A 173 71.930 3.024 -12.868 1.00 1.00 N HETATM 1432 C1S RCY A 173 71.420 5.251 -11.987 1.00 1.00 C HETATM 1433 C1U RCY A 173 71.717 1.633 -13.467 1.00 1.00 C HETATM 1434 C1V RCY A 173 72.375 -0.810 -13.374 1.00 1.00 C HETATM 1435 N1V RCY A 173 71.338 0.457 -11.479 1.00 1.00 N HETATM 1436 C1W RCY A 173 69.983 0.702 -12.139 1.00 1.00 C HETATM 1437 C1X RCY A 173 72.340 0.522 -12.624 1.00 1.00 C HETATM 1438 C1Y RCY A 173 69.216 -0.614 -12.294 1.00 1.00 C HETATM 1439 C1Z RCY A 173 69.185 1.693 -11.292 1.00 1.00 C HETATM 0 H1ZB RCY A 173 69.771 2.600 -11.144 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 68.255 1.942 -11.803 1.00 1.00 H new HETATM 0 H1YB RCY A 173 68.290 -0.433 -12.840 1.00 1.00 H new HETATM 0 H1YA RCY A 173 69.828 -1.329 -12.843 1.00 1.00 H new HETATM 0 H1VA RCY A 173 72.721 -1.596 -12.703 1.00 1.00 H new HETATM 0 H1MA RCY A 173 69.715 2.171 -13.721 1.00 1.00 H new HETATM 0 H1Y RCY A 173 68.983 -1.018 -11.309 1.00 1.00 H new HETATM 0 H1U RCY A 173 72.176 1.693 -14.454 1.00 1.00 H new HETATM 0 H1S RCY A 173 70.905 5.737 -12.816 1.00 1.00 H new HETATM 0 H1M RCY A 173 70.125 0.571 -14.306 1.00 1.00 H new HETATM 1442 C1C RCY A 176 72.291 -0.273 -4.503 1.00 1.00 C HETATM 1443 O1G RCY A 176 74.822 -4.900 -3.934 1.00 1.00 O HETATM 1444 O1H RCY A 176 74.411 -0.983 -6.539 1.00 1.00 O HETATM 1445 O1J RCY A 176 69.903 -0.950 -2.799 1.00 1.00 O HETATM 1446 C1L RCY A 176 76.371 -3.686 -5.387 1.00 1.00 C HETATM 1447 C1M RCY A 176 72.131 -3.904 -3.808 1.00 1.00 C HETATM 1448 C1P RCY A 176 75.023 -3.968 -4.710 1.00 1.00 C HETATM 1449 C1Q RCY A 176 74.707 -2.114 -6.157 1.00 1.00 C HETATM 1450 N1R RCY A 176 73.963 -2.947 -5.120 1.00 1.00 N HETATM 1451 C1S RCY A 176 75.886 -2.942 -6.636 1.00 1.00 C HETATM 1452 C1U RCY A 176 72.524 -2.791 -4.624 1.00 1.00 C HETATM 1453 C1V RCY A 176 73.395 -1.538 -2.603 1.00 1.00 C HETATM 1454 N1V RCY A 176 70.970 -1.892 -3.122 1.00 1.00 N HETATM 1455 C1W RCY A 176 70.962 -3.409 -2.946 1.00 1.00 C HETATM 1456 C1X RCY A 176 72.340 -1.581 -3.710 1.00 1.00 C HETATM 1457 C1Y RCY A 176 71.183 -3.779 -1.476 1.00 1.00 C HETATM 1458 C1Z RCY A 176 69.629 -3.964 -3.446 1.00 1.00 C HETATM 0 H1ZB RCY A 176 69.463 -3.641 -4.474 1.00 1.00 H new HETATM 0 H1YB RCY A 176 71.258 -4.862 -1.381 1.00 1.00 H new HETATM 0 H1YA RCY A 176 72.104 -3.319 -1.119 1.00 1.00 H new HETATM 0 H1VA RCY A 176 73.164 -0.728 -1.911 1.00 1.00 H new HETATM 0 H1MA RCY A 176 71.829 -4.751 -4.424 1.00 1.00 H new HETATM 0 H1LA RCY A 176 77.030 -3.077 -4.768 1.00 1.00 H new HETATM 0 H1Y RCY A 176 70.344 -3.420 -0.880 1.00 1.00 H new HETATM 0 H1U RCY A 176 71.933 -2.699 -5.535 1.00 1.00 H new HETATM 0 H1S RCY A 176 75.589 -3.637 -7.421 1.00 1.00 H new HETATM 0 H1M RCY A 176 72.959 -4.242 -3.185 1.00 1.00 H new HETATM 0 H1L RCY A 176 76.915 -4.599 -5.630 1.00 1.00 H new HETATM 0 H1C RCY A 176 72.159 0.564 -3.817 1.00 1.00 H new HETATM 1461 C1C RCY A 187 85.744 7.077 0.079 1.00 1.00 C HETATM 1462 O1G RCY A 187 83.434 6.037 -3.934 1.00 1.00 O HETATM 1463 O1H RCY A 187 87.783 5.783 -2.113 1.00 1.00 O HETATM 1464 O1J RCY A 187 83.026 8.279 -0.411 1.00 1.00 O HETATM 1465 C1L RCY A 187 85.645 6.650 -4.785 1.00 1.00 C HETATM 1466 C1M RCY A 187 83.436 4.601 -1.416 1.00 1.00 C HETATM 1467 C1P RCY A 187 84.645 6.133 -3.743 1.00 1.00 C HETATM 1468 C1Q RCY A 187 86.780 6.172 -2.709 1.00 1.00 C HETATM 1469 N1R RCY A 187 85.341 5.752 -2.437 1.00 1.00 N HETATM 1470 C1S RCY A 187 86.750 7.165 -3.857 1.00 1.00 C HETATM 1471 C1U RCY A 187 84.755 5.114 -1.177 1.00 1.00 C HETATM 1472 C1V RCY A 187 84.255 5.418 1.287 1.00 1.00 C HETATM 1473 N1V RCY A 187 83.327 6.856 -0.541 1.00 1.00 N HETATM 1474 C1W RCY A 187 82.476 5.779 -1.211 1.00 1.00 C HETATM 1475 C1X RCY A 187 84.559 6.116 -0.040 1.00 1.00 C HETATM 1476 C1Y RCY A 187 81.313 5.373 -0.301 1.00 1.00 C HETATM 1477 C1Z RCY A 187 81.955 6.311 -2.546 1.00 1.00 C HETATM 0 H1ZB RCY A 187 82.793 6.650 -3.155 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 81.422 5.518 -3.071 1.00 1.00 H new HETATM 0 H1YB RCY A 187 80.766 4.547 -0.756 1.00 1.00 H new HETATM 0 H1YA RCY A 187 81.701 5.061 0.668 1.00 1.00 H new HETATM 0 H1VB RCY A 187 85.127 4.847 1.606 1.00 1.00 H new HETATM 0 H1VA RCY A 187 84.014 6.164 2.044 1.00 1.00 H new HETATM 0 H1MA RCY A 187 83.351 4.201 -2.426 1.00 1.00 H new HETATM 0 H1LA RCY A 187 85.995 5.863 -5.454 1.00 1.00 H new HETATM 0 H1CB RCY A 187 86.654 6.510 0.275 1.00 1.00 H new HETATM 0 H1CA RCY A 187 85.857 7.633 -0.852 1.00 1.00 H new HETATM 0 H1Z RCY A 187 81.277 7.145 -2.366 1.00 1.00 H new HETATM 0 H1Y RCY A 187 80.642 6.222 -0.167 1.00 1.00 H new HETATM 0 H1V RCY A 187 83.407 4.745 1.158 1.00 1.00 H new HETATM 0 H1U RCY A 187 85.474 4.339 -0.910 1.00 1.00 H new HETATM 0 H1S RCY A 187 86.533 8.173 -3.504 1.00 1.00 H new HETATM 0 H1M RCY A 187 83.205 3.786 -0.730 1.00 1.00 H new HETATM 0 H1L RCY A 187 85.225 7.437 -5.411 1.00 1.00 H new HETATM 0 H1C RCY A 187 85.567 7.774 0.898 1.00 1.00 H new