USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=16 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 37 GLN H : A 37 GLN N : A 138 RCY O1G :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YA : A 110 RCY C1Y : A 14 THR OG1 :(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 14 THR CB :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1MA : A 138 RCY C1M : A 62 THR CG2 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1LA : A 138 RCY C1L : A 37 GLN C :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CB : A 138 RCY C1C : A 35 THR OG1 :(H bumps) USER MOD NoAdj-H: A 138 RCY H1U : A 138 RCY C1U : A 62 THR CG2 :(H bumps) USER MOD NoAdj-H: A 138 RCY H1M : A 138 RCY C1M : A 62 THR CG2 :(H bumps) USER MOD NoAdj-H: A 138 RCY H1C : A 138 RCY C1C : A 35 THR OG1 :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 71 GLU OE2 :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1LA : A 168 RCY C1L : A 71 GLU CB :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 176 RCY C1C :(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 RCY H1Y : A 173 RCY C1Y : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 187 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 187 RCY C1Q :(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 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 187 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 187 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 176 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 176 RCY O1J :(H bumps) USER MOD Set 1.1: A 74 ASN :FLIP amide:sc= -3.03! C(o=-14!,f=-7.4!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -4.34! C(o=-7.4!,f=-7.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0.203 (180deg=-0.0616!) USER MOD Single : A 2 ASN :FLIP amide:sc= -3.55! C(o=-4.7!,f=-3.6!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -166:sc= -32.9! (180deg=-35!) USER MOD Single : A 22 THR OG1 : rot 48:sc= 0.355 USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -0.027 (180deg=-0.424) USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= 0.297 (180deg=-0.949) USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= -0.376 (180deg=-1.25!) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.519 F(o=-1.2,f=-0.52) USER MOD Single : A 34 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= -1.93! C(o=-1.9!,f=-3.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 48:sc= 0.893 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -148:sc= -0.336 (180deg=-1.27!) USER MOD Single : A 48 GLN : amide:sc= -0.406 X(o=-0.41,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.656 F(o=-2.6,f=-0.66) USER MOD Single : A 83 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.044) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 79.241 -19.074 -9.390 1.00 1.00 N ATOM 2 CA MET A 1 77.889 -18.455 -9.477 1.00 1.00 C ATOM 3 C MET A 1 76.828 -19.495 -9.108 1.00 1.00 C ATOM 4 O MET A 1 76.735 -19.925 -7.976 1.00 1.00 O ATOM 5 CB MET A 1 77.646 -17.958 -10.905 1.00 1.00 C ATOM 6 CG MET A 1 78.404 -16.647 -11.125 1.00 1.00 C ATOM 7 SD MET A 1 80.164 -16.904 -10.789 1.00 1.00 S ATOM 8 CE MET A 1 80.651 -17.364 -12.471 1.00 1.00 C ATOM 0 H1 MET A 1 79.952 -18.407 -9.753 1.00 1.00 H new ATOM 0 H2 MET A 1 79.455 -19.302 -8.398 1.00 1.00 H new ATOM 0 H3 MET A 1 79.261 -19.945 -9.958 1.00 1.00 H new ATOM 0 HA MET A 1 77.828 -17.614 -8.786 1.00 1.00 H new ATOM 0 HB2 MET A 1 77.978 -18.707 -11.624 1.00 1.00 H new ATOM 0 HB3 MET A 1 76.580 -17.806 -11.072 1.00 1.00 H new ATOM 0 HG2 MET A 1 78.265 -16.302 -12.149 1.00 1.00 H new ATOM 0 HG3 MET A 1 78.007 -15.871 -10.470 1.00 1.00 H new ATOM 0 HE1 MET A 1 81.721 -17.571 -12.496 1.00 1.00 H new ATOM 0 HE2 MET A 1 80.102 -18.254 -12.778 1.00 1.00 H new ATOM 0 HE3 MET A 1 80.423 -16.544 -13.153 1.00 1.00 H new ATOM 17 N ASN A 2 76.027 -19.902 -10.055 1.00 1.00 N ATOM 18 CA ASN A 2 74.974 -20.914 -9.756 1.00 1.00 C ATOM 19 C ASN A 2 74.527 -21.584 -11.056 1.00 1.00 C ATOM 20 O ASN A 2 74.083 -22.715 -11.062 1.00 1.00 O ATOM 21 CB ASN A 2 73.776 -20.224 -9.099 1.00 1.00 C ATOM 22 CG ASN A 2 74.139 -19.821 -7.668 1.00 1.00 C ATOM 23 OD1 ASN A 2 74.677 -18.653 -7.449 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 73.931 -20.577 -6.741 1.00 1.00 N flip ATOM 0 H ASN A 2 76.056 -19.578 -11.022 1.00 1.00 H new ATOM 0 HA ASN A 2 75.376 -21.668 -9.079 1.00 1.00 H new ATOM 0 HB2 ASN A 2 73.490 -19.344 -9.674 1.00 1.00 H new ATOM 0 HB3 ASN A 2 72.916 -20.894 -9.092 1.00 1.00 H new ATOM 0 HD21 ASN A 2 73.510 -21.490 -6.912 1.00 1.00 H new ATOM 0 HD22 ASN A 2 74.177 -20.299 -5.791 1.00 1.00 H new ATOM 31 N LEU A 3 74.639 -20.895 -12.159 1.00 1.00 N ATOM 32 CA LEU A 3 74.221 -21.494 -13.458 1.00 1.00 C ATOM 33 C LEU A 3 72.770 -21.971 -13.357 1.00 1.00 C ATOM 34 O LEU A 3 72.475 -23.131 -13.567 1.00 1.00 O ATOM 35 CB LEU A 3 75.126 -22.683 -13.788 1.00 1.00 C ATOM 36 CG LEU A 3 76.587 -22.292 -13.561 1.00 1.00 C ATOM 37 CD1 LEU A 3 77.494 -23.471 -13.919 1.00 1.00 C ATOM 38 CD2 LEU A 3 76.937 -21.094 -14.446 1.00 1.00 C ATOM 0 H LEU A 3 75.002 -19.943 -12.217 1.00 1.00 H new ATOM 0 HA LEU A 3 74.304 -20.745 -14.246 1.00 1.00 H new ATOM 0 HB2 LEU A 3 74.866 -23.536 -13.162 1.00 1.00 H new ATOM 0 HB3 LEU A 3 74.977 -22.990 -14.823 1.00 1.00 H new ATOM 0 HG LEU A 3 76.733 -22.027 -12.514 1.00 1.00 H new ATOM 0 HD11 LEU A 3 78.535 -23.192 -13.757 1.00 1.00 H new ATOM 0 HD12 LEU A 3 77.245 -24.325 -13.290 1.00 1.00 H new ATOM 0 HD13 LEU A 3 77.349 -23.737 -14.966 1.00 1.00 H new ATOM 0 HD21 LEU A 3 77.978 -20.815 -14.285 1.00 1.00 H new ATOM 0 HD22 LEU A 3 76.790 -21.360 -15.493 1.00 1.00 H new ATOM 0 HD23 LEU A 3 76.292 -20.253 -14.192 1.00 1.00 H new ATOM 50 N GLU A 4 71.863 -21.085 -13.036 1.00 1.00 N ATOM 51 CA GLU A 4 70.428 -21.483 -12.921 1.00 1.00 C ATOM 52 C GLU A 4 69.565 -20.517 -13.747 1.00 1.00 C ATOM 53 O GLU A 4 69.777 -19.321 -13.723 1.00 1.00 O ATOM 54 CB GLU A 4 70.002 -21.419 -11.451 1.00 1.00 C ATOM 55 CG GLU A 4 70.173 -19.991 -10.929 1.00 1.00 C ATOM 56 CD GLU A 4 68.933 -19.167 -11.281 1.00 1.00 C ATOM 57 OE1 GLU A 4 67.838 -19.639 -11.019 1.00 1.00 O ATOM 58 OE2 GLU A 4 69.099 -18.078 -11.805 1.00 1.00 O ATOM 0 H GLU A 4 72.055 -20.101 -12.848 1.00 1.00 H new ATOM 0 HA GLU A 4 70.297 -22.498 -13.295 1.00 1.00 H new ATOM 0 HB2 GLU A 4 68.963 -21.732 -11.349 1.00 1.00 H new ATOM 0 HB3 GLU A 4 70.603 -22.108 -10.857 1.00 1.00 H new ATOM 0 HG2 GLU A 4 70.321 -20.002 -9.849 1.00 1.00 H new ATOM 0 HG3 GLU A 4 71.061 -19.536 -11.367 1.00 1.00 H new ATOM 65 N PRO A 5 68.599 -21.026 -14.474 1.00 1.00 N ATOM 66 CA PRO A 5 67.700 -20.183 -15.313 1.00 1.00 C ATOM 67 C PRO A 5 67.276 -18.894 -14.594 1.00 1.00 C ATOM 68 O PRO A 5 67.273 -18.828 -13.381 1.00 1.00 O ATOM 69 CB PRO A 5 66.490 -21.087 -15.551 1.00 1.00 C ATOM 70 CG PRO A 5 67.026 -22.481 -15.491 1.00 1.00 C ATOM 71 CD PRO A 5 68.255 -22.454 -14.575 1.00 1.00 C ATOM 0 HA PRO A 5 68.187 -19.851 -16.230 1.00 1.00 H new ATOM 0 HB2 PRO A 5 65.723 -20.927 -14.793 1.00 1.00 H new ATOM 0 HB3 PRO A 5 66.030 -20.883 -16.518 1.00 1.00 H new ATOM 0 HG2 PRO A 5 66.272 -23.167 -15.104 1.00 1.00 H new ATOM 0 HG3 PRO A 5 67.296 -22.833 -16.487 1.00 1.00 H new ATOM 0 HD2 PRO A 5 68.032 -22.880 -13.597 1.00 1.00 H new ATOM 0 HD3 PRO A 5 69.077 -23.033 -14.995 1.00 1.00 H new ATOM 79 N PRO A 6 66.913 -17.880 -15.339 1.00 1.00 N ATOM 80 CA PRO A 6 66.472 -16.576 -14.761 1.00 1.00 C ATOM 81 C PRO A 6 65.102 -16.684 -14.083 1.00 1.00 C ATOM 82 O PRO A 6 64.380 -17.643 -14.274 1.00 1.00 O ATOM 83 CB PRO A 6 66.403 -15.643 -15.975 1.00 1.00 C ATOM 84 CG PRO A 6 66.194 -16.542 -17.149 1.00 1.00 C ATOM 85 CD PRO A 6 66.880 -17.867 -16.810 1.00 1.00 C ATOM 0 HA PRO A 6 67.150 -16.223 -13.984 1.00 1.00 H new ATOM 0 HB2 PRO A 6 65.586 -14.928 -15.876 1.00 1.00 H new ATOM 0 HB3 PRO A 6 67.321 -15.065 -16.080 1.00 1.00 H new ATOM 0 HG2 PRO A 6 65.131 -16.693 -17.338 1.00 1.00 H new ATOM 0 HG3 PRO A 6 66.619 -16.105 -18.053 1.00 1.00 H new ATOM 0 HD2 PRO A 6 66.324 -18.717 -17.205 1.00 1.00 H new ATOM 0 HD3 PRO A 6 67.883 -17.918 -17.233 1.00 1.00 H new ATOM 93 N LYS A 7 64.740 -15.709 -13.290 1.00 1.00 N ATOM 94 CA LYS A 7 63.418 -15.754 -12.595 1.00 1.00 C ATOM 95 C LYS A 7 62.702 -14.411 -12.768 1.00 1.00 C ATOM 96 O LYS A 7 61.962 -13.977 -11.908 1.00 1.00 O ATOM 97 CB LYS A 7 63.636 -16.034 -11.104 1.00 1.00 C ATOM 98 CG LYS A 7 64.893 -15.305 -10.624 1.00 1.00 C ATOM 99 CD LYS A 7 65.062 -15.515 -9.119 1.00 1.00 C ATOM 100 CE LYS A 7 66.494 -15.160 -8.711 1.00 1.00 C ATOM 101 NZ LYS A 7 66.700 -15.501 -7.275 1.00 1.00 N ATOM 0 H LYS A 7 65.304 -14.882 -13.093 1.00 1.00 H new ATOM 0 HA LYS A 7 62.806 -16.546 -13.027 1.00 1.00 H new ATOM 0 HB2 LYS A 7 62.770 -15.703 -10.531 1.00 1.00 H new ATOM 0 HB3 LYS A 7 63.738 -17.106 -10.936 1.00 1.00 H new ATOM 0 HG2 LYS A 7 65.768 -15.680 -11.155 1.00 1.00 H new ATOM 0 HG3 LYS A 7 64.816 -14.241 -10.847 1.00 1.00 H new ATOM 0 HD2 LYS A 7 64.352 -14.894 -8.573 1.00 1.00 H new ATOM 0 HD3 LYS A 7 64.845 -16.551 -8.859 1.00 1.00 H new ATOM 0 HE2 LYS A 7 67.206 -15.705 -9.331 1.00 1.00 H new ATOM 0 HE3 LYS A 7 66.677 -14.098 -8.874 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 67.673 -15.260 -6.997 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 66.029 -14.962 -6.691 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 66.542 -16.519 -7.134 1.00 1.00 H new ATOM 115 N ALA A 8 62.911 -13.754 -13.877 1.00 1.00 N ATOM 116 CA ALA A 8 62.238 -12.443 -14.109 1.00 1.00 C ATOM 117 C ALA A 8 62.743 -11.414 -13.093 1.00 1.00 C ATOM 118 O ALA A 8 63.419 -10.467 -13.441 1.00 1.00 O ATOM 119 CB ALA A 8 60.722 -12.613 -13.959 1.00 1.00 C ATOM 0 H ALA A 8 63.519 -14.069 -14.633 1.00 1.00 H new ATOM 0 HA ALA A 8 62.467 -12.094 -15.116 1.00 1.00 H new ATOM 0 HB1 ALA A 8 60.230 -11.655 -14.128 1.00 1.00 H new ATOM 0 HB2 ALA A 8 60.363 -13.339 -14.688 1.00 1.00 H new ATOM 0 HB3 ALA A 8 60.493 -12.966 -12.953 1.00 1.00 H new ATOM 125 N GLU A 9 62.415 -11.592 -11.841 1.00 1.00 N ATOM 126 CA GLU A 9 62.870 -10.627 -10.797 1.00 1.00 C ATOM 127 C GLU A 9 62.030 -9.348 -10.881 1.00 1.00 C ATOM 128 O GLU A 9 62.417 -8.309 -10.385 1.00 1.00 O ATOM 129 CB GLU A 9 64.352 -10.290 -11.015 1.00 1.00 C ATOM 130 CG GLU A 9 65.008 -9.976 -9.669 1.00 1.00 C ATOM 131 CD GLU A 9 66.398 -9.383 -9.904 1.00 1.00 C ATOM 132 OE1 GLU A 9 66.488 -8.175 -10.053 1.00 1.00 O ATOM 133 OE2 GLU A 9 67.350 -10.146 -9.931 1.00 1.00 O ATOM 0 H GLU A 9 61.849 -12.367 -11.495 1.00 1.00 H new ATOM 0 HA GLU A 9 62.746 -11.075 -9.811 1.00 1.00 H new ATOM 0 HB2 GLU A 9 64.860 -11.128 -11.492 1.00 1.00 H new ATOM 0 HB3 GLU A 9 64.447 -9.436 -11.686 1.00 1.00 H new ATOM 0 HG2 GLU A 9 64.392 -9.274 -9.107 1.00 1.00 H new ATOM 0 HG3 GLU A 9 65.085 -10.883 -9.070 1.00 1.00 H new ATOM 140 N CYS A 10 60.883 -9.419 -11.503 1.00 1.00 N ATOM 141 CA CYS A 10 60.014 -8.211 -11.619 1.00 1.00 C ATOM 142 C CYS A 10 58.856 -8.321 -10.624 1.00 1.00 C ATOM 143 O CYS A 10 58.956 -8.986 -9.612 1.00 1.00 O ATOM 144 CB CYS A 10 59.459 -8.118 -13.042 1.00 1.00 C ATOM 145 SG CYS A 10 58.819 -6.450 -13.332 1.00 1.00 S ATOM 0 H CYS A 10 60.510 -10.263 -11.937 1.00 1.00 H new ATOM 0 HA CYS A 10 60.599 -7.318 -11.399 1.00 1.00 H new ATOM 0 HB2 CYS A 10 60.241 -8.350 -13.765 1.00 1.00 H new ATOM 0 HB3 CYS A 10 58.667 -8.853 -13.183 1.00 1.00 H new ATOM 150 N ARG A 11 57.757 -7.672 -10.900 1.00 1.00 N ATOM 151 CA ARG A 11 56.595 -7.739 -9.967 1.00 1.00 C ATOM 152 C ARG A 11 56.333 -9.194 -9.576 1.00 1.00 C ATOM 153 O ARG A 11 56.733 -10.114 -10.262 1.00 1.00 O ATOM 154 CB ARG A 11 55.348 -7.154 -10.645 1.00 1.00 C ATOM 155 CG ARG A 11 55.189 -7.752 -12.044 1.00 1.00 C ATOM 156 CD ARG A 11 54.276 -8.977 -11.976 1.00 1.00 C ATOM 157 NE ARG A 11 52.984 -8.599 -11.338 1.00 1.00 N ATOM 158 CZ ARG A 11 52.006 -9.461 -11.283 1.00 1.00 C ATOM 159 NH1 ARG A 11 52.160 -10.655 -11.786 1.00 1.00 N ATOM 160 NH2 ARG A 11 50.874 -9.130 -10.724 1.00 1.00 N ATOM 0 H ARG A 11 57.613 -7.098 -11.731 1.00 1.00 H new ATOM 0 HA ARG A 11 56.821 -7.159 -9.072 1.00 1.00 H new ATOM 0 HB2 ARG A 11 54.463 -7.368 -10.046 1.00 1.00 H new ATOM 0 HB3 ARG A 11 55.434 -6.069 -10.711 1.00 1.00 H new ATOM 0 HG2 ARG A 11 54.769 -7.010 -12.722 1.00 1.00 H new ATOM 0 HG3 ARG A 11 56.163 -8.033 -12.443 1.00 1.00 H new ATOM 0 HD2 ARG A 11 54.098 -9.367 -12.978 1.00 1.00 H new ATOM 0 HD3 ARG A 11 54.757 -9.771 -11.405 1.00 1.00 H new ATOM 0 HE ARG A 11 52.864 -7.666 -10.944 1.00 1.00 H new ATOM 0 HH11 ARG A 11 53.045 -10.914 -12.222 1.00 1.00 H new ATOM 0 HH12 ARG A 11 51.396 -11.329 -11.743 1.00 1.00 H new ATOM 0 HH21 ARG A 11 50.753 -8.197 -10.330 1.00 1.00 H new ATOM 0 HH22 ARG A 11 50.110 -9.804 -10.681 1.00 1.00 H new ATOM 174 N SER A 12 55.662 -9.409 -8.477 1.00 1.00 N ATOM 175 CA SER A 12 55.372 -10.804 -8.040 1.00 1.00 C ATOM 176 C SER A 12 54.743 -10.777 -6.645 1.00 1.00 C ATOM 177 O SER A 12 53.781 -11.468 -6.374 1.00 1.00 O ATOM 178 CB SER A 12 56.674 -11.606 -7.996 1.00 1.00 C ATOM 179 OG SER A 12 56.567 -12.621 -7.007 1.00 1.00 O ATOM 0 H SER A 12 55.302 -8.678 -7.863 1.00 1.00 H new ATOM 0 HA SER A 12 54.682 -11.271 -8.743 1.00 1.00 H new ATOM 0 HB2 SER A 12 56.873 -12.051 -8.971 1.00 1.00 H new ATOM 0 HB3 SER A 12 57.513 -10.948 -7.769 1.00 1.00 H new ATOM 0 HG SER A 12 57.399 -13.138 -6.977 1.00 1.00 H new ATOM 185 N ALA A 13 55.278 -9.983 -5.759 1.00 1.00 N ATOM 186 CA ALA A 13 54.712 -9.910 -4.382 1.00 1.00 C ATOM 187 C ALA A 13 55.063 -8.557 -3.760 1.00 1.00 C ATOM 188 O ALA A 13 55.439 -8.471 -2.607 1.00 1.00 O ATOM 189 CB ALA A 13 55.304 -11.033 -3.527 1.00 1.00 C ATOM 0 H ALA A 13 56.084 -9.381 -5.929 1.00 1.00 H new ATOM 0 HA ALA A 13 53.629 -10.021 -4.427 1.00 1.00 H new ATOM 0 HB1 ALA A 13 54.890 -10.980 -2.520 1.00 1.00 H new ATOM 0 HB2 ALA A 13 55.056 -11.997 -3.971 1.00 1.00 H new ATOM 0 HB3 ALA A 13 56.387 -10.922 -3.481 1.00 1.00 H new ATOM 195 N THR A 14 54.944 -7.498 -4.514 1.00 1.00 N ATOM 196 CA THR A 14 55.271 -6.150 -3.967 1.00 1.00 C ATOM 197 C THR A 14 54.510 -5.081 -4.754 1.00 1.00 C ATOM 198 O THR A 14 55.075 -4.100 -5.194 1.00 1.00 O ATOM 199 CB THR A 14 56.777 -5.902 -4.093 1.00 1.00 C ATOM 200 OG1 THR A 14 57.481 -7.075 -3.712 1.00 1.00 O ATOM 201 CG2 THR A 14 57.183 -4.742 -3.183 1.00 1.00 C ATOM 0 H THR A 14 54.634 -7.508 -5.486 1.00 1.00 H new ATOM 0 HA THR A 14 54.980 -6.103 -2.917 1.00 1.00 H new ATOM 0 HB THR A 14 57.020 -5.652 -5.126 1.00 1.00 H new ATOM 0 HG21 THR A 14 58.255 -4.567 -3.274 1.00 1.00 H new ATOM 0 HG22 THR A 14 56.642 -3.843 -3.477 1.00 1.00 H new ATOM 0 HG23 THR A 14 56.942 -4.989 -2.149 1.00 1.00 H new ATOM 209 N ARG A 15 53.230 -5.264 -4.937 1.00 1.00 N ATOM 210 CA ARG A 15 52.436 -4.257 -5.697 1.00 1.00 C ATOM 211 C ARG A 15 52.750 -2.854 -5.170 1.00 1.00 C ATOM 212 O ARG A 15 53.048 -1.951 -5.926 1.00 1.00 O ATOM 213 CB ARG A 15 50.939 -4.551 -5.530 1.00 1.00 C ATOM 214 CG ARG A 15 50.678 -5.099 -4.126 1.00 1.00 C ATOM 215 CD ARG A 15 49.171 -5.241 -3.904 1.00 1.00 C ATOM 216 NE ARG A 15 48.922 -6.161 -2.759 1.00 1.00 N ATOM 217 CZ ARG A 15 47.705 -6.538 -2.477 1.00 1.00 C ATOM 218 NH1 ARG A 15 46.706 -6.108 -3.198 1.00 1.00 N ATOM 219 NH2 ARG A 15 47.487 -7.344 -1.474 1.00 1.00 N ATOM 0 H ARG A 15 52.701 -6.066 -4.594 1.00 1.00 H new ATOM 0 HA ARG A 15 52.697 -4.311 -6.754 1.00 1.00 H new ATOM 0 HB2 ARG A 15 50.359 -3.642 -5.690 1.00 1.00 H new ATOM 0 HB3 ARG A 15 50.614 -5.273 -6.279 1.00 1.00 H new ATOM 0 HG2 ARG A 15 51.167 -6.066 -4.005 1.00 1.00 H new ATOM 0 HG3 ARG A 15 51.105 -4.431 -3.378 1.00 1.00 H new ATOM 0 HD2 ARG A 15 48.729 -4.265 -3.703 1.00 1.00 H new ATOM 0 HD3 ARG A 15 48.695 -5.627 -4.805 1.00 1.00 H new ATOM 0 HE ARG A 15 49.703 -6.496 -2.195 1.00 1.00 H new ATOM 0 HH11 ARG A 15 46.877 -5.478 -3.981 1.00 1.00 H new ATOM 0 HH12 ARG A 15 45.754 -6.402 -2.978 1.00 1.00 H new ATOM 0 HH21 ARG A 15 48.268 -7.679 -0.910 1.00 1.00 H new ATOM 0 HH22 ARG A 15 46.536 -7.638 -1.254 1.00 1.00 H new ATOM 233 N VAL A 16 52.689 -2.665 -3.880 1.00 1.00 N ATOM 234 CA VAL A 16 52.987 -1.321 -3.306 1.00 1.00 C ATOM 235 C VAL A 16 53.484 -1.487 -1.868 1.00 1.00 C ATOM 236 O VAL A 16 53.012 -2.331 -1.132 1.00 1.00 O ATOM 237 CB VAL A 16 51.716 -0.466 -3.308 1.00 1.00 C ATOM 238 CG1 VAL A 16 51.993 0.864 -2.605 1.00 1.00 C ATOM 239 CG2 VAL A 16 51.286 -0.198 -4.752 1.00 1.00 C ATOM 0 H VAL A 16 52.446 -3.383 -3.198 1.00 1.00 H new ATOM 0 HA VAL A 16 53.753 -0.831 -3.907 1.00 1.00 H new ATOM 0 HB VAL A 16 50.921 -0.996 -2.782 1.00 1.00 H new ATOM 0 HG11 VAL A 16 51.088 1.472 -2.607 1.00 1.00 H new ATOM 0 HG12 VAL A 16 52.301 0.675 -1.577 1.00 1.00 H new ATOM 0 HG13 VAL A 16 52.787 1.394 -3.130 1.00 1.00 H new ATOM 0 HG21 VAL A 16 50.382 0.410 -4.755 1.00 1.00 H new ATOM 0 HG22 VAL A 16 52.082 0.332 -5.276 1.00 1.00 H new ATOM 0 HG23 VAL A 16 51.088 -1.145 -5.254 1.00 1.00 H new ATOM 249 N MET A 17 54.433 -0.690 -1.462 1.00 1.00 N ATOM 250 CA MET A 17 54.958 -0.805 -0.072 1.00 1.00 C ATOM 251 C MET A 17 53.839 -0.492 0.925 1.00 1.00 C ATOM 252 O MET A 17 52.878 -1.226 1.044 1.00 1.00 O ATOM 253 CB MET A 17 56.111 0.188 0.123 1.00 1.00 C ATOM 254 CG MET A 17 55.656 1.592 -0.279 1.00 1.00 C ATOM 255 SD MET A 17 56.779 2.254 -1.535 1.00 1.00 S ATOM 256 CE MET A 17 58.265 2.310 -0.504 1.00 1.00 C ATOM 0 H MET A 17 54.868 0.036 -2.032 1.00 1.00 H new ATOM 0 HA MET A 17 55.320 -1.819 0.097 1.00 1.00 H new ATOM 0 HB2 MET A 17 56.435 0.184 1.164 1.00 1.00 H new ATOM 0 HB3 MET A 17 56.969 -0.113 -0.479 1.00 1.00 H new ATOM 0 HG2 MET A 17 54.638 1.559 -0.667 1.00 1.00 H new ATOM 0 HG3 MET A 17 55.643 2.245 0.593 1.00 1.00 H new ATOM 0 HE1 MET A 17 59.026 2.916 -0.995 1.00 1.00 H new ATOM 0 HE2 MET A 17 58.020 2.749 0.463 1.00 1.00 H new ATOM 0 HE3 MET A 17 58.645 1.299 -0.358 1.00 1.00 H new ATOM 266 N GLY A 18 53.955 0.594 1.640 1.00 1.00 N ATOM 267 CA GLY A 18 52.900 0.959 2.630 1.00 1.00 C ATOM 268 C GLY A 18 52.744 2.481 2.667 1.00 1.00 C ATOM 269 O GLY A 18 53.713 3.213 2.693 1.00 1.00 O ATOM 0 H GLY A 18 54.737 1.246 1.581 1.00 1.00 H new ATOM 0 HA2 GLY A 18 51.953 0.492 2.359 1.00 1.00 H new ATOM 0 HA3 GLY A 18 53.168 0.586 3.618 1.00 1.00 H new ATOM 273 N GLY A 19 51.531 2.962 2.669 1.00 1.00 N ATOM 274 CA GLY A 19 51.313 4.436 2.703 1.00 1.00 C ATOM 275 C GLY A 19 51.942 5.074 1.461 1.00 1.00 C ATOM 276 O GLY A 19 52.754 4.471 0.789 1.00 1.00 O ATOM 0 H GLY A 19 50.681 2.398 2.649 1.00 1.00 H new ATOM 0 HA2 GLY A 19 50.246 4.656 2.737 1.00 1.00 H new ATOM 0 HA3 GLY A 19 51.755 4.859 3.605 1.00 1.00 H new ATOM 280 N PRO A 20 51.565 6.289 1.164 1.00 1.00 N ATOM 281 CA PRO A 20 52.096 7.033 -0.017 1.00 1.00 C ATOM 282 C PRO A 20 53.570 7.415 0.159 1.00 1.00 C ATOM 283 O PRO A 20 54.130 7.282 1.230 1.00 1.00 O ATOM 284 CB PRO A 20 51.215 8.286 -0.089 1.00 1.00 C ATOM 285 CG PRO A 20 50.689 8.480 1.295 1.00 1.00 C ATOM 286 CD PRO A 20 50.591 7.089 1.924 1.00 1.00 C ATOM 0 HA PRO A 20 52.063 6.432 -0.926 1.00 1.00 H new ATOM 0 HB2 PRO A 20 51.790 9.152 -0.416 1.00 1.00 H new ATOM 0 HB3 PRO A 20 50.402 8.155 -0.803 1.00 1.00 H new ATOM 0 HG2 PRO A 20 51.352 9.122 1.875 1.00 1.00 H new ATOM 0 HG3 PRO A 20 49.713 8.966 1.274 1.00 1.00 H new ATOM 0 HD2 PRO A 20 50.835 7.112 2.986 1.00 1.00 H new ATOM 0 HD3 PRO A 20 49.584 6.681 1.837 1.00 1.00 H new ATOM 294 N CYS A 21 54.202 7.885 -0.884 1.00 1.00 N ATOM 295 CA CYS A 21 55.639 8.273 -0.781 1.00 1.00 C ATOM 296 C CYS A 21 55.867 9.591 -1.525 1.00 1.00 C ATOM 297 O CYS A 21 55.632 9.693 -2.712 1.00 1.00 O ATOM 298 CB CYS A 21 56.506 7.178 -1.406 1.00 1.00 C ATOM 299 SG CYS A 21 58.252 7.626 -1.246 1.00 1.00 S ATOM 0 H CYS A 21 53.784 8.017 -1.805 1.00 1.00 H new ATOM 0 HA CYS A 21 55.908 8.398 0.268 1.00 1.00 H new ATOM 0 HB2 CYS A 21 56.318 6.224 -0.913 1.00 1.00 H new ATOM 0 HB3 CYS A 21 56.247 7.050 -2.457 1.00 1.00 H new ATOM 304 N THR A 22 56.326 10.601 -0.833 1.00 1.00 N ATOM 305 CA THR A 22 56.576 11.918 -1.491 1.00 1.00 C ATOM 306 C THR A 22 58.088 12.102 -1.696 1.00 1.00 C ATOM 307 O THR A 22 58.815 12.324 -0.750 1.00 1.00 O ATOM 308 CB THR A 22 56.051 13.039 -0.589 1.00 1.00 C ATOM 309 OG1 THR A 22 56.461 12.798 0.749 1.00 1.00 O ATOM 310 CG2 THR A 22 54.523 13.079 -0.658 1.00 1.00 C ATOM 0 H THR A 22 56.539 10.570 0.164 1.00 1.00 H new ATOM 0 HA THR A 22 56.067 11.951 -2.454 1.00 1.00 H new ATOM 0 HB THR A 22 56.452 13.995 -0.926 1.00 1.00 H new ATOM 0 HG1 THR A 22 57.415 12.576 0.764 1.00 1.00 H new ATOM 0 HG21 THR A 22 54.151 13.877 -0.016 1.00 1.00 H new ATOM 0 HG22 THR A 22 54.210 13.264 -1.686 1.00 1.00 H new ATOM 0 HG23 THR A 22 54.118 12.124 -0.322 1.00 1.00 H new ATOM 318 N PRO A 23 58.562 12.006 -2.918 1.00 1.00 N ATOM 319 CA PRO A 23 60.015 12.166 -3.231 1.00 1.00 C ATOM 320 C PRO A 23 60.624 13.430 -2.610 1.00 1.00 C ATOM 321 O PRO A 23 60.152 13.936 -1.612 1.00 1.00 O ATOM 322 CB PRO A 23 60.053 12.253 -4.760 1.00 1.00 C ATOM 323 CG PRO A 23 58.826 11.537 -5.220 1.00 1.00 C ATOM 324 CD PRO A 23 57.771 11.732 -4.129 1.00 1.00 C ATOM 0 HA PRO A 23 60.601 11.343 -2.822 1.00 1.00 H new ATOM 0 HB2 PRO A 23 60.054 13.290 -5.096 1.00 1.00 H new ATOM 0 HB3 PRO A 23 60.954 11.788 -5.159 1.00 1.00 H new ATOM 0 HG2 PRO A 23 58.478 11.938 -6.172 1.00 1.00 H new ATOM 0 HG3 PRO A 23 59.031 10.478 -5.376 1.00 1.00 H new ATOM 0 HD2 PRO A 23 57.101 12.559 -4.364 1.00 1.00 H new ATOM 0 HD3 PRO A 23 57.151 10.843 -4.009 1.00 1.00 H new ATOM 332 N ARG A 24 61.674 13.938 -3.198 1.00 1.00 N ATOM 333 CA ARG A 24 62.329 15.164 -2.656 1.00 1.00 C ATOM 334 C ARG A 24 63.154 14.797 -1.419 1.00 1.00 C ATOM 335 O ARG A 24 63.592 13.674 -1.264 1.00 1.00 O ATOM 336 CB ARG A 24 61.264 16.203 -2.275 1.00 1.00 C ATOM 337 CG ARG A 24 61.829 17.611 -2.471 1.00 1.00 C ATOM 338 CD ARG A 24 61.148 18.575 -1.499 1.00 1.00 C ATOM 339 NE ARG A 24 59.680 18.321 -1.493 1.00 1.00 N ATOM 340 CZ ARG A 24 59.131 17.686 -0.494 1.00 1.00 C ATOM 341 NH1 ARG A 24 59.869 17.273 0.500 1.00 1.00 N ATOM 342 NH2 ARG A 24 57.846 17.463 -0.490 1.00 1.00 N ATOM 0 H ARG A 24 62.109 13.553 -4.037 1.00 1.00 H new ATOM 0 HA ARG A 24 62.983 15.588 -3.418 1.00 1.00 H new ATOM 0 HB2 ARG A 24 60.374 16.068 -2.889 1.00 1.00 H new ATOM 0 HB3 ARG A 24 60.960 16.063 -1.238 1.00 1.00 H new ATOM 0 HG2 ARG A 24 62.906 17.609 -2.303 1.00 1.00 H new ATOM 0 HG3 ARG A 24 61.668 17.939 -3.498 1.00 1.00 H new ATOM 0 HD2 ARG A 24 61.554 18.444 -0.496 1.00 1.00 H new ATOM 0 HD3 ARG A 24 61.348 19.606 -1.792 1.00 1.00 H new ATOM 0 HE ARG A 24 59.104 18.644 -2.270 1.00 1.00 H new ATOM 0 HH11 ARG A 24 60.874 17.447 0.496 1.00 1.00 H new ATOM 0 HH12 ARG A 24 59.441 16.777 1.281 1.00 1.00 H new ATOM 0 HH21 ARG A 24 57.270 17.785 -1.268 1.00 1.00 H new ATOM 0 HH22 ARG A 24 57.417 16.967 0.291 1.00 1.00 H new ATOM 356 N LYS A 25 63.370 15.736 -0.539 1.00 1.00 N ATOM 357 CA LYS A 25 64.163 15.448 0.680 1.00 1.00 C ATOM 358 C LYS A 25 65.488 14.794 0.276 1.00 1.00 C ATOM 359 O LYS A 25 65.881 13.777 0.812 1.00 1.00 O ATOM 360 CB LYS A 25 63.366 14.507 1.598 1.00 1.00 C ATOM 361 CG LYS A 25 63.601 14.896 3.059 1.00 1.00 C ATOM 362 CD LYS A 25 65.104 14.959 3.336 1.00 1.00 C ATOM 363 CE LYS A 25 65.338 15.277 4.814 1.00 1.00 C ATOM 364 NZ LYS A 25 64.890 14.125 5.646 1.00 1.00 N ATOM 0 H LYS A 25 63.028 16.694 -0.616 1.00 1.00 H new ATOM 0 HA LYS A 25 64.370 16.374 1.216 1.00 1.00 H new ATOM 0 HB2 LYS A 25 62.304 14.566 1.362 1.00 1.00 H new ATOM 0 HB3 LYS A 25 63.673 13.474 1.432 1.00 1.00 H new ATOM 0 HG2 LYS A 25 63.141 15.862 3.267 1.00 1.00 H new ATOM 0 HG3 LYS A 25 63.129 14.169 3.720 1.00 1.00 H new ATOM 0 HD2 LYS A 25 65.572 14.009 3.079 1.00 1.00 H new ATOM 0 HD3 LYS A 25 65.568 15.722 2.711 1.00 1.00 H new ATOM 0 HE2 LYS A 25 66.395 15.478 4.991 1.00 1.00 H new ATOM 0 HE3 LYS A 25 64.791 16.177 5.095 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 65.353 14.168 6.576 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 63.858 14.167 5.770 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 65.146 13.235 5.173 1.00 1.00 H new ATOM 378 N GLY A 26 66.178 15.368 -0.672 1.00 1.00 N ATOM 379 CA GLY A 26 67.472 14.776 -1.113 1.00 1.00 C ATOM 380 C GLY A 26 68.456 14.753 0.065 1.00 1.00 C ATOM 381 O GLY A 26 68.497 15.674 0.857 1.00 1.00 O ATOM 0 H GLY A 26 65.901 16.220 -1.159 1.00 1.00 H new ATOM 0 HA2 GLY A 26 67.312 13.764 -1.486 1.00 1.00 H new ATOM 0 HA3 GLY A 26 67.888 15.357 -1.936 1.00 1.00 H new ATOM 385 N PRO A 27 69.248 13.714 0.181 1.00 1.00 N ATOM 386 CA PRO A 27 70.248 13.589 1.283 1.00 1.00 C ATOM 387 C PRO A 27 71.072 14.872 1.459 1.00 1.00 C ATOM 388 O PRO A 27 71.150 15.690 0.563 1.00 1.00 O ATOM 389 CB PRO A 27 71.147 12.434 0.828 1.00 1.00 C ATOM 390 CG PRO A 27 70.297 11.607 -0.079 1.00 1.00 C ATOM 391 CD PRO A 27 69.277 12.552 -0.721 1.00 1.00 C ATOM 0 HA PRO A 27 69.772 13.415 2.248 1.00 1.00 H new ATOM 0 HB2 PRO A 27 72.031 12.805 0.309 1.00 1.00 H new ATOM 0 HB3 PRO A 27 71.498 11.850 1.679 1.00 1.00 H new ATOM 0 HG2 PRO A 27 70.906 11.121 -0.841 1.00 1.00 H new ATOM 0 HG3 PRO A 27 69.794 10.817 0.478 1.00 1.00 H new ATOM 0 HD2 PRO A 27 69.577 12.837 -1.729 1.00 1.00 H new ATOM 0 HD3 PRO A 27 68.296 12.085 -0.801 1.00 1.00 H new ATOM 399 N PRO A 28 71.688 15.045 2.601 1.00 1.00 N ATOM 400 CA PRO A 28 72.523 16.242 2.889 1.00 1.00 C ATOM 401 C PRO A 28 73.357 16.669 1.676 1.00 1.00 C ATOM 402 O PRO A 28 73.504 15.930 0.723 1.00 1.00 O ATOM 403 CB PRO A 28 73.424 15.773 4.030 1.00 1.00 C ATOM 404 CG PRO A 28 72.618 14.750 4.762 1.00 1.00 C ATOM 405 CD PRO A 28 71.661 14.118 3.745 1.00 1.00 C ATOM 0 HA PRO A 28 71.922 17.116 3.139 1.00 1.00 H new ATOM 0 HB2 PRO A 28 74.352 15.346 3.650 1.00 1.00 H new ATOM 0 HB3 PRO A 28 73.698 16.602 4.683 1.00 1.00 H new ATOM 0 HG2 PRO A 28 73.266 13.993 5.203 1.00 1.00 H new ATOM 0 HG3 PRO A 28 72.063 15.210 5.579 1.00 1.00 H new ATOM 0 HD2 PRO A 28 71.989 13.119 3.456 1.00 1.00 H new ATOM 0 HD3 PRO A 28 70.655 14.018 4.153 1.00 1.00 H new ATOM 413 N LYS A 29 73.900 17.856 1.703 1.00 1.00 N ATOM 414 CA LYS A 29 74.719 18.328 0.550 1.00 1.00 C ATOM 415 C LYS A 29 75.677 17.217 0.108 1.00 1.00 C ATOM 416 O LYS A 29 76.758 17.064 0.639 1.00 1.00 O ATOM 417 CB LYS A 29 75.522 19.568 0.964 1.00 1.00 C ATOM 418 CG LYS A 29 76.379 19.245 2.190 1.00 1.00 C ATOM 419 CD LYS A 29 77.859 19.396 1.832 1.00 1.00 C ATOM 420 CE LYS A 29 78.716 18.740 2.916 1.00 1.00 C ATOM 421 NZ LYS A 29 78.483 17.268 2.911 1.00 1.00 N ATOM 0 H LYS A 29 73.812 18.519 2.473 1.00 1.00 H new ATOM 0 HA LYS A 29 74.060 18.585 -0.280 1.00 1.00 H new ATOM 0 HB2 LYS A 29 76.157 19.893 0.140 1.00 1.00 H new ATOM 0 HB3 LYS A 29 74.845 20.392 1.189 1.00 1.00 H new ATOM 0 HG2 LYS A 29 76.123 19.913 3.012 1.00 1.00 H new ATOM 0 HG3 LYS A 29 76.178 18.229 2.530 1.00 1.00 H new ATOM 0 HD2 LYS A 29 78.059 18.933 0.866 1.00 1.00 H new ATOM 0 HD3 LYS A 29 78.116 20.451 1.740 1.00 1.00 H new ATOM 0 HE2 LYS A 29 79.770 18.953 2.739 1.00 1.00 H new ATOM 0 HE3 LYS A 29 78.467 19.155 3.893 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 79.321 16.783 3.290 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 77.657 17.045 3.502 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 78.309 16.947 1.937 1.00 1.00 H new ATOM 435 N CYS A 30 75.286 16.439 -0.865 1.00 1.00 N ATOM 436 CA CYS A 30 76.173 15.340 -1.342 1.00 1.00 C ATOM 437 C CYS A 30 77.100 15.873 -2.436 1.00 1.00 C ATOM 438 O CYS A 30 76.657 16.320 -3.475 1.00 1.00 O ATOM 439 CB CYS A 30 75.317 14.204 -1.908 1.00 1.00 C ATOM 440 SG CYS A 30 74.236 14.852 -3.207 1.00 1.00 S ATOM 0 H CYS A 30 74.392 16.517 -1.350 1.00 1.00 H new ATOM 0 HA CYS A 30 76.769 14.966 -0.510 1.00 1.00 H new ATOM 0 HB2 CYS A 30 75.956 13.418 -2.311 1.00 1.00 H new ATOM 0 HB3 CYS A 30 74.720 13.754 -1.115 1.00 1.00 H new ATOM 445 N LYS A 31 78.387 15.832 -2.210 1.00 1.00 N ATOM 446 CA LYS A 31 79.344 16.339 -3.236 1.00 1.00 C ATOM 447 C LYS A 31 79.828 15.174 -4.102 1.00 1.00 C ATOM 448 O LYS A 31 80.839 15.264 -4.771 1.00 1.00 O ATOM 449 CB LYS A 31 80.545 16.990 -2.541 1.00 1.00 C ATOM 450 CG LYS A 31 81.092 16.047 -1.467 1.00 1.00 C ATOM 451 CD LYS A 31 80.507 16.429 -0.106 1.00 1.00 C ATOM 452 CE LYS A 31 80.797 15.319 0.905 1.00 1.00 C ATOM 453 NZ LYS A 31 80.207 14.039 0.421 1.00 1.00 N ATOM 0 H LYS A 31 78.816 15.469 -1.359 1.00 1.00 H new ATOM 0 HA LYS A 31 78.844 17.077 -3.863 1.00 1.00 H new ATOM 0 HB2 LYS A 31 81.322 17.215 -3.271 1.00 1.00 H new ATOM 0 HB3 LYS A 31 80.247 17.937 -2.090 1.00 1.00 H new ATOM 0 HG2 LYS A 31 80.835 15.016 -1.709 1.00 1.00 H new ATOM 0 HG3 LYS A 31 82.180 16.106 -1.436 1.00 1.00 H new ATOM 0 HD2 LYS A 31 80.939 17.369 0.236 1.00 1.00 H new ATOM 0 HD3 LYS A 31 79.432 16.585 -0.192 1.00 1.00 H new ATOM 0 HE2 LYS A 31 81.873 15.208 1.040 1.00 1.00 H new ATOM 0 HE3 LYS A 31 80.379 15.580 1.877 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 80.082 13.389 1.223 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 79.284 14.227 -0.019 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 80.843 13.607 -0.279 1.00 1.00 H new ATOM 467 N GLN A 32 79.115 14.081 -4.096 1.00 1.00 N ATOM 468 CA GLN A 32 79.535 12.913 -4.920 1.00 1.00 C ATOM 469 C GLN A 32 79.114 13.139 -6.375 1.00 1.00 C ATOM 470 O GLN A 32 78.498 14.132 -6.706 1.00 1.00 O ATOM 471 CB GLN A 32 78.867 11.641 -4.380 1.00 1.00 C ATOM 472 CG GLN A 32 79.774 10.991 -3.333 1.00 1.00 C ATOM 473 CD GLN A 32 80.934 10.281 -4.032 1.00 1.00 C ATOM 474 OE1 GLN A 32 80.711 9.627 -5.139 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 82.055 10.321 -3.566 1.00 1.00 N flip ATOM 0 H GLN A 32 78.260 13.947 -3.556 1.00 1.00 H new ATOM 0 HA GLN A 32 80.618 12.801 -4.871 1.00 1.00 H new ATOM 0 HB2 GLN A 32 77.901 11.885 -3.938 1.00 1.00 H new ATOM 0 HB3 GLN A 32 78.677 10.943 -5.196 1.00 1.00 H new ATOM 0 HG2 GLN A 32 80.157 11.748 -2.648 1.00 1.00 H new ATOM 0 HG3 GLN A 32 79.205 10.279 -2.735 1.00 1.00 H new ATOM 0 HE21 GLN A 32 82.230 10.832 -2.701 1.00 1.00 H new ATOM 0 HE22 GLN A 32 82.822 9.844 -4.040 1.00 1.00 H new ATOM 484 N ARG A 33 79.443 12.223 -7.244 1.00 1.00 N ATOM 485 CA ARG A 33 79.064 12.383 -8.677 1.00 1.00 C ATOM 486 C ARG A 33 79.073 11.010 -9.356 1.00 1.00 C ATOM 487 O ARG A 33 78.668 10.866 -10.493 1.00 1.00 O ATOM 488 CB ARG A 33 80.072 13.316 -9.368 1.00 1.00 C ATOM 489 CG ARG A 33 79.363 14.598 -9.809 1.00 1.00 C ATOM 490 CD ARG A 33 80.403 15.636 -10.237 1.00 1.00 C ATOM 491 NE ARG A 33 80.635 16.596 -9.122 1.00 1.00 N ATOM 492 CZ ARG A 33 79.812 17.592 -8.936 1.00 1.00 C ATOM 493 NH1 ARG A 33 78.787 17.747 -9.728 1.00 1.00 N ATOM 494 NH2 ARG A 33 80.016 18.433 -7.959 1.00 1.00 N ATOM 0 H ARG A 33 79.958 11.370 -7.024 1.00 1.00 H new ATOM 0 HA ARG A 33 78.066 12.815 -8.752 1.00 1.00 H new ATOM 0 HB2 ARG A 33 80.888 13.555 -8.686 1.00 1.00 H new ATOM 0 HB3 ARG A 33 80.513 12.817 -10.231 1.00 1.00 H new ATOM 0 HG2 ARG A 33 78.685 14.385 -10.635 1.00 1.00 H new ATOM 0 HG3 ARG A 33 78.757 14.990 -8.992 1.00 1.00 H new ATOM 0 HD2 ARG A 33 81.337 15.142 -10.506 1.00 1.00 H new ATOM 0 HD3 ARG A 33 80.058 16.168 -11.123 1.00 1.00 H new ATOM 0 HE ARG A 33 81.437 16.475 -8.504 1.00 1.00 H new ATOM 0 HH11 ARG A 33 78.629 17.090 -10.492 1.00 1.00 H new ATOM 0 HH12 ARG A 33 78.144 18.525 -9.583 1.00 1.00 H new ATOM 0 HH21 ARG A 33 80.818 18.312 -7.341 1.00 1.00 H new ATOM 0 HH22 ARG A 33 79.373 19.211 -7.813 1.00 1.00 H new ATOM 508 N GLN A 34 79.532 10.000 -8.668 1.00 1.00 N ATOM 509 CA GLN A 34 79.567 8.639 -9.274 1.00 1.00 C ATOM 510 C GLN A 34 80.026 7.626 -8.223 1.00 1.00 C ATOM 511 O GLN A 34 79.266 7.212 -7.371 1.00 1.00 O ATOM 512 CB GLN A 34 80.541 8.631 -10.456 1.00 1.00 C ATOM 513 CG GLN A 34 81.759 9.494 -10.122 1.00 1.00 C ATOM 514 CD GLN A 34 82.931 9.094 -11.020 1.00 1.00 C ATOM 515 OE1 GLN A 34 83.158 7.924 -11.257 1.00 1.00 O ATOM 516 NE2 GLN A 34 83.691 10.022 -11.533 1.00 1.00 N ATOM 0 H GLN A 34 79.884 10.059 -7.713 1.00 1.00 H new ATOM 0 HA GLN A 34 78.571 8.370 -9.625 1.00 1.00 H new ATOM 0 HB2 GLN A 34 80.855 7.610 -10.675 1.00 1.00 H new ATOM 0 HB3 GLN A 34 80.047 9.011 -11.350 1.00 1.00 H new ATOM 0 HG2 GLN A 34 81.521 10.548 -10.265 1.00 1.00 H new ATOM 0 HG3 GLN A 34 82.031 9.368 -9.074 1.00 1.00 H new ATOM 0 HE21 GLN A 34 83.501 11.004 -11.334 1.00 1.00 H new ATOM 0 HE22 GLN A 34 84.475 9.765 -12.133 1.00 1.00 H new ATOM 525 N THR A 35 81.266 7.223 -8.277 1.00 1.00 N ATOM 526 CA THR A 35 81.776 6.237 -7.283 1.00 1.00 C ATOM 527 C THR A 35 83.306 6.232 -7.314 1.00 1.00 C ATOM 528 O THR A 35 83.935 7.258 -7.478 1.00 1.00 O ATOM 529 CB THR A 35 81.251 4.842 -7.634 1.00 1.00 C ATOM 530 OG1 THR A 35 81.779 3.895 -6.716 1.00 1.00 O ATOM 531 CG2 THR A 35 81.683 4.474 -9.055 1.00 1.00 C ATOM 0 H THR A 35 81.949 7.535 -8.968 1.00 1.00 H new ATOM 0 HA THR A 35 81.433 6.512 -6.285 1.00 1.00 H new ATOM 0 HB THR A 35 80.163 4.838 -7.576 1.00 1.00 H new ATOM 0 HG21 THR A 35 81.309 3.481 -9.303 1.00 1.00 H new ATOM 0 HG22 THR A 35 81.277 5.201 -9.758 1.00 1.00 H new ATOM 0 HG23 THR A 35 82.771 4.477 -9.117 1.00 1.00 H new ATOM 539 N ARG A 36 83.910 5.086 -7.161 1.00 1.00 N ATOM 540 CA ARG A 36 85.398 5.021 -7.186 1.00 1.00 C ATOM 541 C ARG A 36 85.970 6.017 -6.174 1.00 1.00 C ATOM 542 O ARG A 36 86.978 6.652 -6.415 1.00 1.00 O ATOM 543 CB ARG A 36 85.895 5.372 -8.592 1.00 1.00 C ATOM 544 CG ARG A 36 87.319 4.845 -8.779 1.00 1.00 C ATOM 545 CD ARG A 36 87.900 5.394 -10.084 1.00 1.00 C ATOM 546 NE ARG A 36 89.337 5.015 -10.186 1.00 1.00 N ATOM 547 CZ ARG A 36 90.121 5.646 -11.018 1.00 1.00 C ATOM 548 NH1 ARG A 36 89.645 6.608 -11.759 1.00 1.00 N ATOM 549 NH2 ARG A 36 91.379 5.314 -11.107 1.00 1.00 N ATOM 0 H ARG A 36 83.438 4.193 -7.020 1.00 1.00 H new ATOM 0 HA ARG A 36 85.726 4.015 -6.925 1.00 1.00 H new ATOM 0 HB2 ARG A 36 85.234 4.937 -9.342 1.00 1.00 H new ATOM 0 HB3 ARG A 36 85.874 6.452 -8.737 1.00 1.00 H new ATOM 0 HG2 ARG A 36 87.942 5.145 -7.937 1.00 1.00 H new ATOM 0 HG3 ARG A 36 87.315 3.755 -8.801 1.00 1.00 H new ATOM 0 HD2 ARG A 36 87.347 4.998 -10.936 1.00 1.00 H new ATOM 0 HD3 ARG A 36 87.796 6.479 -10.113 1.00 1.00 H new ATOM 0 HE ARG A 36 89.708 4.263 -9.606 1.00 1.00 H new ATOM 0 HH11 ARG A 36 88.661 6.867 -11.688 1.00 1.00 H new ATOM 0 HH12 ARG A 36 90.257 7.101 -12.409 1.00 1.00 H new ATOM 0 HH21 ARG A 36 91.750 4.562 -10.527 1.00 1.00 H new ATOM 0 HH22 ARG A 36 91.992 5.807 -11.757 1.00 1.00 H new ATOM 563 N GLN A 37 85.335 6.159 -5.042 1.00 1.00 N ATOM 564 CA GLN A 37 85.844 7.115 -4.014 1.00 1.00 C ATOM 565 C GLN A 37 85.477 6.601 -2.618 1.00 1.00 C ATOM 566 O GLN A 37 84.933 5.526 -2.465 1.00 1.00 O ATOM 567 CB GLN A 37 85.211 8.495 -4.246 1.00 1.00 C ATOM 568 CG GLN A 37 86.213 9.589 -3.871 1.00 1.00 C ATOM 569 CD GLN A 37 87.202 9.793 -5.020 1.00 1.00 C ATOM 570 OE1 GLN A 37 87.390 8.914 -5.838 1.00 1.00 O ATOM 571 NE2 GLN A 37 87.846 10.923 -5.117 1.00 1.00 N ATOM 0 HA GLN A 37 86.928 7.199 -4.092 1.00 1.00 H new ATOM 0 HB2 GLN A 37 84.916 8.600 -5.290 1.00 1.00 H new ATOM 0 HB3 GLN A 37 84.306 8.596 -3.647 1.00 1.00 H new ATOM 0 HG2 GLN A 37 85.688 10.521 -3.660 1.00 1.00 H new ATOM 0 HG3 GLN A 37 86.747 9.311 -2.963 1.00 1.00 H new ATOM 0 HE21 GLN A 37 87.688 11.661 -4.430 1.00 1.00 H new ATOM 0 HE22 GLN A 37 88.508 11.069 -5.879 1.00 1.00 H new ATOM 580 N CYS A 38 85.772 7.362 -1.598 1.00 1.00 N ATOM 581 CA CYS A 38 85.443 6.916 -0.214 1.00 1.00 C ATOM 582 C CYS A 38 86.262 5.668 0.126 1.00 1.00 C ATOM 583 O CYS A 38 85.769 4.558 0.084 1.00 1.00 O ATOM 584 CB CYS A 38 83.947 6.599 -0.121 1.00 1.00 C ATOM 585 SG CYS A 38 83.027 7.709 -1.215 1.00 1.00 S ATOM 0 H CYS A 38 86.226 8.273 -1.664 1.00 1.00 H new ATOM 0 HA CYS A 38 85.685 7.709 0.494 1.00 1.00 H new ATOM 0 HB2 CYS A 38 83.766 5.562 -0.402 1.00 1.00 H new ATOM 0 HB3 CYS A 38 83.603 6.716 0.907 1.00 1.00 H new ATOM 590 N LYS A 39 87.513 5.842 0.459 1.00 1.00 N ATOM 591 CA LYS A 39 88.369 4.669 0.798 1.00 1.00 C ATOM 592 C LYS A 39 89.434 5.090 1.814 1.00 1.00 C ATOM 593 O LYS A 39 90.157 6.045 1.610 1.00 1.00 O ATOM 594 CB LYS A 39 89.050 4.153 -0.474 1.00 1.00 C ATOM 595 CG LYS A 39 89.495 5.339 -1.333 1.00 1.00 C ATOM 596 CD LYS A 39 90.315 4.831 -2.520 1.00 1.00 C ATOM 597 CE LYS A 39 91.005 6.011 -3.206 1.00 1.00 C ATOM 598 NZ LYS A 39 91.711 5.531 -4.428 1.00 1.00 N ATOM 0 H LYS A 39 87.980 6.748 0.511 1.00 1.00 H new ATOM 0 HA LYS A 39 87.752 3.879 1.227 1.00 1.00 H new ATOM 0 HB2 LYS A 39 89.910 3.536 -0.214 1.00 1.00 H new ATOM 0 HB3 LYS A 39 88.363 3.521 -1.036 1.00 1.00 H new ATOM 0 HG2 LYS A 39 88.625 5.891 -1.688 1.00 1.00 H new ATOM 0 HG3 LYS A 39 90.089 6.031 -0.736 1.00 1.00 H new ATOM 0 HD2 LYS A 39 91.058 4.109 -2.180 1.00 1.00 H new ATOM 0 HD3 LYS A 39 89.668 4.313 -3.228 1.00 1.00 H new ATOM 0 HE2 LYS A 39 90.270 6.771 -3.472 1.00 1.00 H new ATOM 0 HE3 LYS A 39 91.714 6.479 -2.523 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 92.181 6.333 -4.895 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 92.422 4.821 -4.161 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 91.023 5.104 -5.081 1.00 1.00 H new ATOM 612 N SER A 40 89.537 4.383 2.906 1.00 1.00 N ATOM 613 CA SER A 40 90.555 4.739 3.936 1.00 1.00 C ATOM 614 C SER A 40 90.280 3.945 5.216 1.00 1.00 C ATOM 615 O SER A 40 91.011 3.040 5.566 1.00 1.00 O ATOM 616 CB SER A 40 90.480 6.240 4.232 1.00 1.00 C ATOM 617 OG SER A 40 91.402 6.928 3.398 1.00 1.00 O ATOM 0 H SER A 40 88.959 3.573 3.130 1.00 1.00 H new ATOM 0 HA SER A 40 91.551 4.496 3.566 1.00 1.00 H new ATOM 0 HB2 SER A 40 89.469 6.607 4.057 1.00 1.00 H new ATOM 0 HB3 SER A 40 90.710 6.428 5.281 1.00 1.00 H new ATOM 0 HG SER A 40 91.306 6.613 2.475 1.00 1.00 H new ATOM 623 N LYS A 41 89.230 4.276 5.917 1.00 1.00 N ATOM 624 CA LYS A 41 88.909 3.540 7.173 1.00 1.00 C ATOM 625 C LYS A 41 88.695 2.054 6.849 1.00 1.00 C ATOM 626 O LYS A 41 87.793 1.707 6.112 1.00 1.00 O ATOM 627 CB LYS A 41 87.628 4.114 7.783 1.00 1.00 C ATOM 628 CG LYS A 41 87.698 5.642 7.777 1.00 1.00 C ATOM 629 CD LYS A 41 88.991 6.098 8.455 1.00 1.00 C ATOM 630 CE LYS A 41 88.877 7.575 8.835 1.00 1.00 C ATOM 631 NZ LYS A 41 90.231 8.115 9.144 1.00 1.00 N ATOM 0 H LYS A 41 88.581 5.024 5.674 1.00 1.00 H new ATOM 0 HA LYS A 41 89.731 3.647 7.881 1.00 1.00 H new ATOM 0 HB2 LYS A 41 86.760 3.777 7.216 1.00 1.00 H new ATOM 0 HB3 LYS A 41 87.503 3.749 8.803 1.00 1.00 H new ATOM 0 HG2 LYS A 41 87.661 6.014 6.753 1.00 1.00 H new ATOM 0 HG3 LYS A 41 86.836 6.058 8.298 1.00 1.00 H new ATOM 0 HD2 LYS A 41 89.179 5.497 9.344 1.00 1.00 H new ATOM 0 HD3 LYS A 41 89.837 5.949 7.785 1.00 1.00 H new ATOM 0 HE2 LYS A 41 88.427 8.138 8.017 1.00 1.00 H new ATOM 0 HE3 LYS A 41 88.222 7.690 9.699 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 90.154 9.119 9.402 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 90.644 7.584 9.937 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 90.842 8.019 8.308 1.00 1.00 H new ATOM 645 N PRO A 42 89.511 1.177 7.387 1.00 1.00 N ATOM 646 CA PRO A 42 89.385 -0.287 7.131 1.00 1.00 C ATOM 647 C PRO A 42 88.259 -0.924 7.957 1.00 1.00 C ATOM 648 O PRO A 42 87.826 -0.377 8.951 1.00 1.00 O ATOM 649 CB PRO A 42 90.747 -0.840 7.555 1.00 1.00 C ATOM 650 CG PRO A 42 91.232 0.101 8.609 1.00 1.00 C ATOM 651 CD PRO A 42 90.635 1.477 8.289 1.00 1.00 C ATOM 0 HA PRO A 42 89.131 -0.503 6.093 1.00 1.00 H new ATOM 0 HB2 PRO A 42 90.658 -1.855 7.942 1.00 1.00 H new ATOM 0 HB3 PRO A 42 91.437 -0.879 6.712 1.00 1.00 H new ATOM 0 HG2 PRO A 42 90.921 -0.234 9.598 1.00 1.00 H new ATOM 0 HG3 PRO A 42 92.321 0.145 8.616 1.00 1.00 H new ATOM 0 HD2 PRO A 42 90.297 1.985 9.192 1.00 1.00 H new ATOM 0 HD3 PRO A 42 91.367 2.128 7.812 1.00 1.00 H new ATOM 659 N PRO A 43 87.792 -2.075 7.544 1.00 1.00 N ATOM 660 CA PRO A 43 86.700 -2.804 8.254 1.00 1.00 C ATOM 661 C PRO A 43 87.183 -3.446 9.560 1.00 1.00 C ATOM 662 O PRO A 43 88.367 -3.577 9.796 1.00 1.00 O ATOM 663 CB PRO A 43 86.278 -3.881 7.250 1.00 1.00 C ATOM 664 CG PRO A 43 87.494 -4.135 6.422 1.00 1.00 C ATOM 665 CD PRO A 43 88.257 -2.810 6.356 1.00 1.00 C ATOM 0 HA PRO A 43 85.889 -2.138 8.548 1.00 1.00 H new ATOM 0 HB2 PRO A 43 85.950 -4.788 7.758 1.00 1.00 H new ATOM 0 HB3 PRO A 43 85.445 -3.542 6.634 1.00 1.00 H new ATOM 0 HG2 PRO A 43 88.110 -4.916 6.867 1.00 1.00 H new ATOM 0 HG3 PRO A 43 87.220 -4.475 5.423 1.00 1.00 H new ATOM 0 HD2 PRO A 43 89.335 -2.968 6.380 1.00 1.00 H new ATOM 0 HD3 PRO A 43 88.035 -2.266 5.438 1.00 1.00 H new ATOM 673 N LYS A 44 86.271 -3.849 10.404 1.00 1.00 N ATOM 674 CA LYS A 44 86.669 -4.488 11.693 1.00 1.00 C ATOM 675 C LYS A 44 87.328 -3.451 12.604 1.00 1.00 C ATOM 676 O LYS A 44 88.458 -3.604 13.025 1.00 1.00 O ATOM 677 CB LYS A 44 87.654 -5.626 11.418 1.00 1.00 C ATOM 678 CG LYS A 44 87.575 -6.654 12.548 1.00 1.00 C ATOM 679 CD LYS A 44 88.705 -7.673 12.392 1.00 1.00 C ATOM 680 CE LYS A 44 88.593 -8.734 13.489 1.00 1.00 C ATOM 681 NZ LYS A 44 89.500 -9.873 13.173 1.00 1.00 N ATOM 0 H LYS A 44 85.265 -3.763 10.256 1.00 1.00 H new ATOM 0 HA LYS A 44 85.781 -4.886 12.185 1.00 1.00 H new ATOM 0 HB2 LYS A 44 87.422 -6.100 10.464 1.00 1.00 H new ATOM 0 HB3 LYS A 44 88.668 -5.233 11.340 1.00 1.00 H new ATOM 0 HG2 LYS A 44 87.652 -6.155 13.514 1.00 1.00 H new ATOM 0 HG3 LYS A 44 86.610 -7.160 12.527 1.00 1.00 H new ATOM 0 HD2 LYS A 44 88.651 -8.143 11.410 1.00 1.00 H new ATOM 0 HD3 LYS A 44 89.671 -7.172 12.453 1.00 1.00 H new ATOM 0 HE2 LYS A 44 88.856 -8.303 14.455 1.00 1.00 H new ATOM 0 HE3 LYS A 44 87.564 -9.085 13.566 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 89.424 -10.594 13.918 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 89.229 -10.289 12.259 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 90.481 -9.531 13.120 1.00 1.00 H new ATOM 695 N LYS A 45 86.627 -2.400 12.915 1.00 1.00 N ATOM 696 CA LYS A 45 87.204 -1.352 13.803 1.00 1.00 C ATOM 697 C LYS A 45 86.076 -0.479 14.358 1.00 1.00 C ATOM 698 O LYS A 45 85.650 -0.640 15.484 1.00 1.00 O ATOM 699 CB LYS A 45 88.181 -0.484 13.004 1.00 1.00 C ATOM 700 CG LYS A 45 88.578 0.737 13.835 1.00 1.00 C ATOM 701 CD LYS A 45 89.864 1.344 13.270 1.00 1.00 C ATOM 702 CE LYS A 45 91.075 0.683 13.932 1.00 1.00 C ATOM 703 NZ LYS A 45 91.050 0.955 15.397 1.00 1.00 N ATOM 0 H LYS A 45 85.676 -2.219 12.593 1.00 1.00 H new ATOM 0 HA LYS A 45 87.736 -1.826 14.628 1.00 1.00 H new ATOM 0 HB2 LYS A 45 89.067 -1.062 12.742 1.00 1.00 H new ATOM 0 HB3 LYS A 45 87.720 -0.166 12.069 1.00 1.00 H new ATOM 0 HG2 LYS A 45 87.777 1.476 13.820 1.00 1.00 H new ATOM 0 HG3 LYS A 45 88.726 0.449 14.876 1.00 1.00 H new ATOM 0 HD2 LYS A 45 89.903 1.200 12.190 1.00 1.00 H new ATOM 0 HD3 LYS A 45 89.880 2.419 13.449 1.00 1.00 H new ATOM 0 HE2 LYS A 45 91.061 -0.392 13.750 1.00 1.00 H new ATOM 0 HE3 LYS A 45 91.997 1.068 13.495 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 92.024 1.017 15.755 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 90.558 1.854 15.575 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 90.550 0.184 15.885 1.00 1.00 H new ATOM 717 N GLY A 46 85.589 0.445 13.576 1.00 1.00 N ATOM 718 CA GLY A 46 84.489 1.326 14.060 1.00 1.00 C ATOM 719 C GLY A 46 85.023 2.258 15.149 1.00 1.00 C ATOM 720 O GLY A 46 85.336 1.835 16.244 1.00 1.00 O ATOM 0 H GLY A 46 85.905 0.628 12.624 1.00 1.00 H new ATOM 0 HA2 GLY A 46 84.086 1.910 13.233 1.00 1.00 H new ATOM 0 HA3 GLY A 46 83.671 0.722 14.453 1.00 1.00 H new ATOM 724 N VAL A 47 85.130 3.526 14.857 1.00 1.00 N ATOM 725 CA VAL A 47 85.644 4.484 15.876 1.00 1.00 C ATOM 726 C VAL A 47 84.690 4.522 17.070 1.00 1.00 C ATOM 727 O VAL A 47 84.908 5.235 18.029 1.00 1.00 O ATOM 728 CB VAL A 47 85.742 5.880 15.258 1.00 1.00 C ATOM 729 CG1 VAL A 47 86.962 5.947 14.337 1.00 1.00 C ATOM 730 CG2 VAL A 47 84.476 6.167 14.447 1.00 1.00 C ATOM 0 H VAL A 47 84.884 3.939 13.958 1.00 1.00 H new ATOM 0 HA VAL A 47 86.630 4.163 16.210 1.00 1.00 H new ATOM 0 HB VAL A 47 85.844 6.622 16.050 1.00 1.00 H new ATOM 0 HG11 VAL A 47 87.031 6.942 13.897 1.00 1.00 H new ATOM 0 HG12 VAL A 47 87.864 5.741 14.913 1.00 1.00 H new ATOM 0 HG13 VAL A 47 86.861 5.206 13.544 1.00 1.00 H new ATOM 0 HG21 VAL A 47 84.544 7.161 14.006 1.00 1.00 H new ATOM 0 HG22 VAL A 47 84.375 5.425 13.655 1.00 1.00 H new ATOM 0 HG23 VAL A 47 83.606 6.119 15.102 1.00 1.00 H new ATOM 740 N GLN A 48 83.631 3.760 17.021 1.00 1.00 N ATOM 741 CA GLN A 48 82.665 3.756 18.154 1.00 1.00 C ATOM 742 C GLN A 48 82.125 5.172 18.364 1.00 1.00 C ATOM 743 O GLN A 48 81.715 5.537 19.448 1.00 1.00 O ATOM 744 CB GLN A 48 83.374 3.280 19.427 1.00 1.00 C ATOM 745 CG GLN A 48 82.339 2.753 20.423 1.00 1.00 C ATOM 746 CD GLN A 48 82.985 2.606 21.802 1.00 1.00 C ATOM 747 OE1 GLN A 48 82.344 2.818 22.812 1.00 1.00 O ATOM 748 NE2 GLN A 48 84.238 2.250 21.887 1.00 1.00 N ATOM 0 H GLN A 48 83.394 3.141 16.246 1.00 1.00 H new ATOM 0 HA GLN A 48 81.838 3.083 17.929 1.00 1.00 H new ATOM 0 HB2 GLN A 48 84.092 2.497 19.184 1.00 1.00 H new ATOM 0 HB3 GLN A 48 83.936 4.101 19.871 1.00 1.00 H new ATOM 0 HG2 GLN A 48 81.491 3.436 20.478 1.00 1.00 H new ATOM 0 HG3 GLN A 48 81.952 1.791 20.087 1.00 1.00 H new ATOM 0 HE21 GLN A 48 84.776 2.072 21.039 1.00 1.00 H new ATOM 0 HE22 GLN A 48 84.679 2.150 22.801 1.00 1.00 H new ATOM 757 N GLY A 49 82.122 5.972 17.330 1.00 1.00 N ATOM 758 CA GLY A 49 81.610 7.369 17.455 1.00 1.00 C ATOM 759 C GLY A 49 80.636 7.652 16.311 1.00 1.00 C ATOM 760 O GLY A 49 79.461 7.353 16.400 1.00 1.00 O ATOM 0 H GLY A 49 82.454 5.717 16.400 1.00 1.00 H new ATOM 0 HA2 GLY A 49 81.111 7.501 18.415 1.00 1.00 H new ATOM 0 HA3 GLY A 49 82.439 8.077 17.426 1.00 1.00 H new ATOM 764 N CYS A 50 81.118 8.221 15.235 1.00 1.00 N ATOM 765 CA CYS A 50 80.231 8.524 14.074 1.00 1.00 C ATOM 766 C CYS A 50 78.845 8.936 14.577 1.00 1.00 C ATOM 767 O CYS A 50 78.635 10.055 15.001 1.00 1.00 O ATOM 768 CB CYS A 50 80.105 7.282 13.187 1.00 1.00 C ATOM 769 SG CYS A 50 79.926 5.812 14.228 1.00 1.00 S ATOM 0 H CYS A 50 82.094 8.490 15.112 1.00 1.00 H new ATOM 0 HA CYS A 50 80.662 9.341 13.496 1.00 1.00 H new ATOM 0 HB2 CYS A 50 79.244 7.380 12.526 1.00 1.00 H new ATOM 0 HB3 CYS A 50 80.985 7.185 12.551 1.00 1.00 H new ATOM 774 N GLY A 51 77.903 8.035 14.537 1.00 1.00 N ATOM 775 CA GLY A 51 76.529 8.362 15.016 1.00 1.00 C ATOM 776 C GLY A 51 76.020 9.626 14.318 1.00 1.00 C ATOM 777 O GLY A 51 75.296 9.559 13.344 1.00 1.00 O ATOM 0 H GLY A 51 78.025 7.083 14.192 1.00 1.00 H new ATOM 0 HA2 GLY A 51 75.856 7.529 14.814 1.00 1.00 H new ATOM 0 HA3 GLY A 51 76.537 8.511 16.096 1.00 1.00 H new ATOM 781 N ASP A 52 76.388 10.777 14.814 1.00 1.00 N ATOM 782 CA ASP A 52 75.926 12.051 14.188 1.00 1.00 C ATOM 783 C ASP A 52 76.015 11.943 12.663 1.00 1.00 C ATOM 784 O ASP A 52 76.786 11.172 12.129 1.00 1.00 O ATOM 785 CB ASP A 52 76.813 13.202 14.670 1.00 1.00 C ATOM 786 CG ASP A 52 76.111 14.535 14.403 1.00 1.00 C ATOM 787 OD1 ASP A 52 75.491 14.656 13.359 1.00 1.00 O ATOM 788 OD2 ASP A 52 76.205 15.411 15.246 1.00 1.00 O ATOM 0 H ASP A 52 76.991 10.891 15.629 1.00 1.00 H new ATOM 0 HA ASP A 52 74.891 12.239 14.474 1.00 1.00 H new ATOM 0 HB2 ASP A 52 77.019 13.095 15.735 1.00 1.00 H new ATOM 0 HB3 ASP A 52 77.773 13.175 14.155 1.00 1.00 H new ATOM 793 N ASP A 53 75.229 12.712 11.960 1.00 1.00 N ATOM 794 CA ASP A 53 75.265 12.656 10.471 1.00 1.00 C ATOM 795 C ASP A 53 76.450 13.476 9.956 1.00 1.00 C ATOM 796 O ASP A 53 76.288 14.393 9.176 1.00 1.00 O ATOM 797 CB ASP A 53 73.964 13.232 9.907 1.00 1.00 C ATOM 798 CG ASP A 53 72.777 12.692 10.707 1.00 1.00 C ATOM 799 OD1 ASP A 53 72.747 12.914 11.907 1.00 1.00 O ATOM 800 OD2 ASP A 53 71.919 12.066 10.107 1.00 1.00 O ATOM 0 H ASP A 53 74.563 13.377 12.353 1.00 1.00 H new ATOM 0 HA ASP A 53 75.374 11.620 10.150 1.00 1.00 H new ATOM 0 HB2 ASP A 53 73.984 14.321 9.957 1.00 1.00 H new ATOM 0 HB3 ASP A 53 73.860 12.963 8.856 1.00 1.00 H new ATOM 805 N ILE A 54 77.641 13.152 10.384 1.00 1.00 N ATOM 806 CA ILE A 54 78.835 13.915 9.916 1.00 1.00 C ATOM 807 C ILE A 54 78.756 14.092 8.390 1.00 1.00 C ATOM 808 O ILE A 54 78.908 13.145 7.647 1.00 1.00 O ATOM 809 CB ILE A 54 80.126 13.154 10.281 1.00 1.00 C ATOM 810 CG1 ILE A 54 79.797 11.678 10.514 1.00 1.00 C ATOM 811 CG2 ILE A 54 80.727 13.748 11.556 1.00 1.00 C ATOM 812 CD1 ILE A 54 79.313 11.049 9.206 1.00 1.00 C ATOM 0 H ILE A 54 77.839 12.393 11.036 1.00 1.00 H new ATOM 0 HA ILE A 54 78.851 14.891 10.401 1.00 1.00 H new ATOM 0 HB ILE A 54 80.844 13.244 9.465 1.00 1.00 H new ATOM 0 HG12 ILE A 54 80.679 11.151 10.878 1.00 1.00 H new ATOM 0 HG13 ILE A 54 79.029 11.583 11.282 1.00 1.00 H new ATOM 0 HG21 ILE A 54 81.639 13.210 11.813 1.00 1.00 H new ATOM 0 HG22 ILE A 54 80.960 14.800 11.392 1.00 1.00 H new ATOM 0 HG23 ILE A 54 80.010 13.658 12.372 1.00 1.00 H new ATOM 0 HD11 ILE A 54 79.079 9.998 9.373 1.00 1.00 H new ATOM 0 HD12 ILE A 54 78.420 11.569 8.861 1.00 1.00 H new ATOM 0 HD13 ILE A 54 80.095 11.131 8.451 1.00 1.00 H new ATOM 824 N PRO A 55 78.518 15.293 7.918 1.00 1.00 N ATOM 825 CA PRO A 55 78.419 15.566 6.457 1.00 1.00 C ATOM 826 C PRO A 55 79.797 15.663 5.794 1.00 1.00 C ATOM 827 O PRO A 55 80.239 16.727 5.409 1.00 1.00 O ATOM 828 CB PRO A 55 77.687 16.907 6.394 1.00 1.00 C ATOM 829 CG PRO A 55 78.045 17.602 7.668 1.00 1.00 C ATOM 830 CD PRO A 55 78.316 16.515 8.714 1.00 1.00 C ATOM 0 HA PRO A 55 77.905 14.767 5.922 1.00 1.00 H new ATOM 0 HB2 PRO A 55 78.000 17.487 5.526 1.00 1.00 H new ATOM 0 HB3 PRO A 55 76.609 16.765 6.311 1.00 1.00 H new ATOM 0 HG2 PRO A 55 78.924 18.231 7.530 1.00 1.00 H new ATOM 0 HG3 PRO A 55 77.234 18.254 7.992 1.00 1.00 H new ATOM 0 HD2 PRO A 55 79.195 16.750 9.314 1.00 1.00 H new ATOM 0 HD3 PRO A 55 77.479 16.408 9.404 1.00 1.00 H new ATOM 838 N GLY A 56 80.477 14.557 5.660 1.00 1.00 N ATOM 839 CA GLY A 56 81.824 14.583 5.024 1.00 1.00 C ATOM 840 C GLY A 56 82.230 13.162 4.628 1.00 1.00 C ATOM 841 O GLY A 56 82.819 12.942 3.589 1.00 1.00 O ATOM 0 H GLY A 56 80.158 13.637 5.963 1.00 1.00 H new ATOM 0 HA2 GLY A 56 81.810 15.227 4.145 1.00 1.00 H new ATOM 0 HA3 GLY A 56 82.556 15.002 5.715 1.00 1.00 H new ATOM 845 N MET A 57 81.918 12.196 5.448 1.00 1.00 N ATOM 846 CA MET A 57 82.286 10.790 5.117 1.00 1.00 C ATOM 847 C MET A 57 83.774 10.720 4.772 1.00 1.00 C ATOM 848 O MET A 57 84.617 10.605 5.640 1.00 1.00 O ATOM 849 CB MET A 57 81.462 10.315 3.918 1.00 1.00 C ATOM 850 CG MET A 57 79.976 10.324 4.282 1.00 1.00 C ATOM 851 SD MET A 57 78.993 9.930 2.815 1.00 1.00 S ATOM 852 CE MET A 57 77.402 10.524 3.441 1.00 1.00 C ATOM 0 H MET A 57 81.425 12.319 6.332 1.00 1.00 H new ATOM 0 HA MET A 57 82.081 10.150 5.975 1.00 1.00 H new ATOM 0 HB2 MET A 57 81.641 10.964 3.061 1.00 1.00 H new ATOM 0 HB3 MET A 57 81.770 9.311 3.627 1.00 1.00 H new ATOM 0 HG2 MET A 57 79.779 9.597 5.070 1.00 1.00 H new ATOM 0 HG3 MET A 57 79.692 11.302 4.671 1.00 1.00 H new ATOM 0 HE1 MET A 57 76.634 10.375 2.682 1.00 1.00 H new ATOM 0 HE2 MET A 57 77.135 9.970 4.341 1.00 1.00 H new ATOM 0 HE3 MET A 57 77.477 11.585 3.678 1.00 1.00 H new ATOM 862 N GLU A 58 84.104 10.786 3.512 1.00 1.00 N ATOM 863 CA GLU A 58 85.538 10.722 3.113 1.00 1.00 C ATOM 864 C GLU A 58 86.132 9.387 3.569 1.00 1.00 C ATOM 865 O GLU A 58 87.268 9.315 3.995 1.00 1.00 O ATOM 866 CB GLU A 58 86.301 11.879 3.768 1.00 1.00 C ATOM 867 CG GLU A 58 87.584 12.156 2.982 1.00 1.00 C ATOM 868 CD GLU A 58 87.241 12.902 1.691 1.00 1.00 C ATOM 869 OE1 GLU A 58 86.656 13.968 1.784 1.00 1.00 O ATOM 870 OE2 GLU A 58 87.570 12.395 0.631 1.00 1.00 O ATOM 0 H GLU A 58 83.443 10.881 2.741 1.00 1.00 H new ATOM 0 HA GLU A 58 85.622 10.803 2.029 1.00 1.00 H new ATOM 0 HB2 GLU A 58 85.677 12.772 3.792 1.00 1.00 H new ATOM 0 HB3 GLU A 58 86.542 11.630 4.802 1.00 1.00 H new ATOM 0 HG2 GLU A 58 88.272 12.749 3.585 1.00 1.00 H new ATOM 0 HG3 GLU A 58 88.090 11.219 2.750 1.00 1.00 H new ATOM 877 N GLY A 59 85.372 8.330 3.484 1.00 1.00 N ATOM 878 CA GLY A 59 85.890 6.999 3.913 1.00 1.00 C ATOM 879 C GLY A 59 84.716 6.051 4.163 1.00 1.00 C ATOM 880 O GLY A 59 83.787 6.373 4.878 1.00 1.00 O ATOM 0 H GLY A 59 84.413 8.330 3.136 1.00 1.00 H new ATOM 0 HA2 GLY A 59 86.546 6.588 3.146 1.00 1.00 H new ATOM 0 HA3 GLY A 59 86.486 7.104 4.820 1.00 1.00 H new ATOM 884 N CYS A 60 84.747 4.884 3.578 1.00 1.00 N ATOM 885 CA CYS A 60 83.629 3.918 3.781 1.00 1.00 C ATOM 886 C CYS A 60 84.147 2.490 3.602 1.00 1.00 C ATOM 887 O CYS A 60 84.442 1.802 4.559 1.00 1.00 O ATOM 888 CB CYS A 60 82.526 4.193 2.757 1.00 1.00 C ATOM 889 SG CYS A 60 81.658 5.718 3.200 1.00 1.00 S ATOM 0 H CYS A 60 85.497 4.558 2.969 1.00 1.00 H new ATOM 0 HA CYS A 60 83.228 4.034 4.788 1.00 1.00 H new ATOM 0 HB2 CYS A 60 82.956 4.283 1.759 1.00 1.00 H new ATOM 0 HB3 CYS A 60 81.825 3.358 2.728 1.00 1.00 H new ATOM 894 N GLY A 61 84.260 2.037 2.382 1.00 1.00 N ATOM 895 CA GLY A 61 84.758 0.651 2.142 1.00 1.00 C ATOM 896 C GLY A 61 84.176 0.113 0.832 1.00 1.00 C ATOM 897 O GLY A 61 83.409 -0.829 0.824 1.00 1.00 O ATOM 0 H GLY A 61 84.029 2.566 1.541 1.00 1.00 H new ATOM 0 HA2 GLY A 61 85.847 0.649 2.095 1.00 1.00 H new ATOM 0 HA3 GLY A 61 84.473 0.003 2.971 1.00 1.00 H new ATOM 901 N THR A 62 84.537 0.701 -0.276 1.00 1.00 N ATOM 902 CA THR A 62 84.006 0.218 -1.583 1.00 1.00 C ATOM 903 C THR A 62 84.669 -1.111 -1.939 1.00 1.00 C ATOM 904 O THR A 62 85.528 -1.176 -2.796 1.00 1.00 O ATOM 905 CB THR A 62 84.316 1.250 -2.672 1.00 1.00 C ATOM 906 OG1 THR A 62 85.606 1.800 -2.447 1.00 1.00 O ATOM 907 CG2 THR A 62 83.269 2.365 -2.634 1.00 1.00 C ATOM 0 H THR A 62 85.176 1.494 -0.333 1.00 1.00 H new ATOM 0 HA THR A 62 82.927 0.080 -1.510 1.00 1.00 H new ATOM 0 HB THR A 62 84.292 0.767 -3.649 1.00 1.00 H new ATOM 0 HG1 THR A 62 85.807 2.459 -3.144 1.00 1.00 H new ATOM 0 HG21 THR A 62 83.490 3.099 -3.409 1.00 1.00 H new ATOM 0 HG22 THR A 62 82.280 1.941 -2.807 1.00 1.00 H new ATOM 0 HG23 THR A 62 83.290 2.851 -1.658 1.00 1.00 H new ATOM 915 N ASP A 63 84.279 -2.176 -1.293 1.00 1.00 N ATOM 916 CA ASP A 63 84.893 -3.494 -1.606 1.00 1.00 C ATOM 917 C ASP A 63 84.877 -3.701 -3.122 1.00 1.00 C ATOM 918 O ASP A 63 85.876 -4.054 -3.717 1.00 1.00 O ATOM 919 CB ASP A 63 84.098 -4.607 -0.920 1.00 1.00 C ATOM 920 CG ASP A 63 84.563 -5.967 -1.444 1.00 1.00 C ATOM 921 OD1 ASP A 63 85.762 -6.189 -1.476 1.00 1.00 O ATOM 922 OD2 ASP A 63 83.712 -6.764 -1.803 1.00 1.00 O ATOM 0 H ASP A 63 83.565 -2.189 -0.565 1.00 1.00 H new ATOM 0 HA ASP A 63 85.921 -3.520 -1.244 1.00 1.00 H new ATOM 0 HB2 ASP A 63 84.237 -4.555 0.160 1.00 1.00 H new ATOM 0 HB3 ASP A 63 83.033 -4.477 -1.111 1.00 1.00 H new ATOM 927 N ILE A 64 83.756 -3.465 -3.758 1.00 1.00 N ATOM 928 CA ILE A 64 83.694 -3.630 -5.239 1.00 1.00 C ATOM 929 C ILE A 64 83.821 -2.248 -5.887 1.00 1.00 C ATOM 930 O ILE A 64 84.898 -1.826 -6.261 1.00 1.00 O ATOM 931 CB ILE A 64 82.372 -4.321 -5.640 1.00 1.00 C ATOM 932 CG1 ILE A 64 82.578 -5.837 -5.664 1.00 1.00 C ATOM 933 CG2 ILE A 64 81.947 -3.844 -7.030 1.00 1.00 C ATOM 934 CD1 ILE A 64 83.662 -6.190 -6.684 1.00 1.00 C ATOM 0 H ILE A 64 82.886 -3.167 -3.316 1.00 1.00 H new ATOM 0 HA ILE A 64 84.511 -4.262 -5.586 1.00 1.00 H new ATOM 0 HB ILE A 64 81.596 -4.069 -4.917 1.00 1.00 H new ATOM 0 HG12 ILE A 64 82.866 -6.191 -4.674 1.00 1.00 H new ATOM 0 HG13 ILE A 64 81.645 -6.337 -5.922 1.00 1.00 H new ATOM 0 HG21 ILE A 64 81.014 -4.332 -7.313 1.00 1.00 H new ATOM 0 HG22 ILE A 64 81.802 -2.764 -7.015 1.00 1.00 H new ATOM 0 HG23 ILE A 64 82.722 -4.096 -7.754 1.00 1.00 H new ATOM 0 HD11 ILE A 64 83.808 -7.270 -6.701 1.00 1.00 H new ATOM 0 HD12 ILE A 64 83.355 -5.850 -7.673 1.00 1.00 H new ATOM 0 HD13 ILE A 64 84.596 -5.702 -6.406 1.00 1.00 H new ATOM 946 N THR A 65 82.736 -1.541 -6.001 1.00 1.00 N ATOM 947 CA THR A 65 82.764 -0.178 -6.606 1.00 1.00 C ATOM 948 C THR A 65 81.327 0.335 -6.653 1.00 1.00 C ATOM 949 O THR A 65 81.047 1.480 -6.358 1.00 1.00 O ATOM 950 CB THR A 65 83.356 -0.227 -8.026 1.00 1.00 C ATOM 951 OG1 THR A 65 83.720 1.085 -8.431 1.00 1.00 O ATOM 952 CG2 THR A 65 82.316 -0.792 -8.995 1.00 1.00 C ATOM 0 H THR A 65 81.814 -1.852 -5.696 1.00 1.00 H new ATOM 0 HA THR A 65 83.390 0.486 -6.010 1.00 1.00 H new ATOM 0 HB THR A 65 84.238 -0.867 -8.030 1.00 1.00 H new ATOM 0 HG1 THR A 65 84.099 1.055 -9.334 1.00 1.00 H new ATOM 0 HG21 THR A 65 82.736 -0.826 -10.000 1.00 1.00 H new ATOM 0 HG22 THR A 65 82.038 -1.799 -8.684 1.00 1.00 H new ATOM 0 HG23 THR A 65 81.432 -0.154 -8.993 1.00 1.00 H new ATOM 960 N VAL A 66 80.413 -0.529 -6.998 1.00 1.00 N ATOM 961 CA VAL A 66 78.978 -0.145 -7.045 1.00 1.00 C ATOM 962 C VAL A 66 78.154 -1.303 -6.484 1.00 1.00 C ATOM 963 O VAL A 66 77.119 -1.101 -5.880 1.00 1.00 O ATOM 964 CB VAL A 66 78.541 0.136 -8.490 1.00 1.00 C ATOM 965 CG1 VAL A 66 79.170 1.446 -8.969 1.00 1.00 C ATOM 966 CG2 VAL A 66 79.003 -1.010 -9.393 1.00 1.00 C ATOM 0 H VAL A 66 80.604 -1.498 -7.253 1.00 1.00 H new ATOM 0 HA VAL A 66 78.824 0.759 -6.456 1.00 1.00 H new ATOM 0 HB VAL A 66 77.455 0.218 -8.531 1.00 1.00 H new ATOM 0 HG11 VAL A 66 78.860 1.645 -9.995 1.00 1.00 H new ATOM 0 HG12 VAL A 66 78.843 2.263 -8.326 1.00 1.00 H new ATOM 0 HG13 VAL A 66 80.256 1.364 -8.928 1.00 1.00 H new ATOM 0 HG21 VAL A 66 78.694 -0.812 -10.419 1.00 1.00 H new ATOM 0 HG22 VAL A 66 80.089 -1.091 -9.351 1.00 1.00 H new ATOM 0 HG23 VAL A 66 78.556 -1.944 -9.053 1.00 1.00 H new ATOM 976 N ILE A 67 78.602 -2.523 -6.680 1.00 1.00 N ATOM 977 CA ILE A 67 77.829 -3.688 -6.152 1.00 1.00 C ATOM 978 C ILE A 67 78.750 -4.720 -5.479 1.00 1.00 C ATOM 979 O ILE A 67 79.182 -5.675 -6.093 1.00 1.00 O ATOM 980 CB ILE A 67 77.092 -4.367 -7.310 1.00 1.00 C ATOM 981 CG1 ILE A 67 76.132 -3.367 -7.958 1.00 1.00 C ATOM 982 CG2 ILE A 67 76.299 -5.563 -6.780 1.00 1.00 C ATOM 983 CD1 ILE A 67 75.565 -3.964 -9.247 1.00 1.00 C ATOM 0 H ILE A 67 79.461 -2.758 -7.178 1.00 1.00 H new ATOM 0 HA ILE A 67 77.125 -3.317 -5.407 1.00 1.00 H new ATOM 0 HB ILE A 67 77.816 -4.710 -8.050 1.00 1.00 H new ATOM 0 HG12 ILE A 67 75.322 -3.126 -7.269 1.00 1.00 H new ATOM 0 HG13 ILE A 67 76.653 -2.435 -8.175 1.00 1.00 H new ATOM 0 HG21 ILE A 67 75.775 -6.046 -7.604 1.00 1.00 H new ATOM 0 HG22 ILE A 67 76.981 -6.276 -6.317 1.00 1.00 H new ATOM 0 HG23 ILE A 67 75.575 -5.221 -6.040 1.00 1.00 H new ATOM 0 HD11 ILE A 67 74.881 -3.251 -9.708 1.00 1.00 H new ATOM 0 HD12 ILE A 67 76.381 -4.182 -9.936 1.00 1.00 H new ATOM 0 HD13 ILE A 67 75.028 -4.884 -9.016 1.00 1.00 H new ATOM 995 N CYS A 68 79.014 -4.553 -4.211 1.00 1.00 N ATOM 996 CA CYS A 68 79.856 -5.534 -3.470 1.00 1.00 C ATOM 997 C CYS A 68 78.998 -6.741 -3.082 1.00 1.00 C ATOM 998 O CYS A 68 77.806 -6.619 -2.878 1.00 1.00 O ATOM 999 CB CYS A 68 80.404 -4.873 -2.203 1.00 1.00 C ATOM 1000 SG CYS A 68 79.062 -4.656 -1.008 1.00 1.00 S ATOM 0 H CYS A 68 78.678 -3.769 -3.651 1.00 1.00 H new ATOM 0 HA CYS A 68 80.684 -5.860 -4.100 1.00 1.00 H new ATOM 0 HB2 CYS A 68 81.194 -5.488 -1.771 1.00 1.00 H new ATOM 0 HB3 CYS A 68 80.848 -3.908 -2.446 1.00 1.00 H new ATOM 1005 N PRO A 69 79.589 -7.906 -2.972 1.00 1.00 N ATOM 1006 CA PRO A 69 78.843 -9.142 -2.594 1.00 1.00 C ATOM 1007 C PRO A 69 78.143 -8.989 -1.239 1.00 1.00 C ATOM 1008 O PRO A 69 77.289 -9.773 -0.877 1.00 1.00 O ATOM 1009 CB PRO A 69 79.919 -10.239 -2.537 1.00 1.00 C ATOM 1010 CG PRO A 69 81.231 -9.524 -2.502 1.00 1.00 C ATOM 1011 CD PRO A 69 81.018 -8.173 -3.187 1.00 1.00 C ATOM 0 HA PRO A 69 78.050 -9.371 -3.306 1.00 1.00 H new ATOM 0 HB2 PRO A 69 79.792 -10.865 -1.654 1.00 1.00 H new ATOM 0 HB3 PRO A 69 79.855 -10.895 -3.405 1.00 1.00 H new ATOM 0 HG2 PRO A 69 81.569 -9.387 -1.475 1.00 1.00 H new ATOM 0 HG3 PRO A 69 81.999 -10.101 -3.016 1.00 1.00 H new ATOM 0 HD2 PRO A 69 81.643 -7.396 -2.747 1.00 1.00 H new ATOM 0 HD3 PRO A 69 81.264 -8.217 -4.248 1.00 1.00 H new ATOM 1019 N TRP A 70 78.498 -7.978 -0.492 1.00 1.00 N ATOM 1020 CA TRP A 70 77.853 -7.765 0.835 1.00 1.00 C ATOM 1021 C TRP A 70 76.494 -7.087 0.624 1.00 1.00 C ATOM 1022 O TRP A 70 75.742 -6.868 1.553 1.00 1.00 O ATOM 1023 CB TRP A 70 78.753 -6.863 1.694 1.00 1.00 C ATOM 1024 CG TRP A 70 78.551 -7.179 3.141 1.00 1.00 C ATOM 1025 CD1 TRP A 70 77.470 -7.809 3.655 1.00 1.00 C ATOM 1026 CD2 TRP A 70 79.432 -6.894 4.267 1.00 1.00 C ATOM 1027 NE1 TRP A 70 77.630 -7.929 5.023 1.00 1.00 N ATOM 1028 CE2 TRP A 70 78.822 -7.380 5.449 1.00 1.00 C ATOM 1029 CE3 TRP A 70 80.686 -6.267 4.377 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 79.438 -7.248 6.697 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 81.306 -6.133 5.628 1.00 1.00 C ATOM 1032 CH2 TRP A 70 80.686 -6.622 6.785 1.00 1.00 C ATOM 0 H TRP A 70 79.208 -7.290 -0.744 1.00 1.00 H new ATOM 0 HA TRP A 70 77.711 -8.720 1.340 1.00 1.00 H new ATOM 0 HB2 TRP A 70 79.798 -7.011 1.422 1.00 1.00 H new ATOM 0 HB3 TRP A 70 78.520 -5.815 1.505 1.00 1.00 H new ATOM 0 HD1 TRP A 70 76.620 -8.161 3.089 1.00 1.00 H new ATOM 0 HE1 TRP A 70 76.950 -8.370 5.642 1.00 1.00 H new ATOM 0 HE3 TRP A 70 81.175 -5.886 3.492 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 78.955 -7.626 7.586 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 82.269 -5.649 5.700 1.00 1.00 H new ATOM 0 HH2 TRP A 70 81.171 -6.516 7.744 1.00 1.00 H new ATOM 1043 N GLU A 71 76.176 -6.749 -0.596 1.00 1.00 N ATOM 1044 CA GLU A 71 74.872 -6.082 -0.871 1.00 1.00 C ATOM 1045 C GLU A 71 73.749 -7.121 -0.826 1.00 1.00 C ATOM 1046 O GLU A 71 72.665 -6.856 -0.345 1.00 1.00 O ATOM 1047 CB GLU A 71 74.918 -5.430 -2.260 1.00 1.00 C ATOM 1048 CG GLU A 71 75.462 -4.005 -2.138 1.00 1.00 C ATOM 1049 CD GLU A 71 75.351 -3.298 -3.490 1.00 1.00 C ATOM 1050 OE1 GLU A 71 74.681 -3.828 -4.360 1.00 1.00 O ATOM 1051 OE2 GLU A 71 75.939 -2.238 -3.632 1.00 1.00 O ATOM 0 H GLU A 71 76.764 -6.906 -1.415 1.00 1.00 H new ATOM 0 HA GLU A 71 74.685 -5.317 -0.118 1.00 1.00 H new ATOM 0 HB2 GLU A 71 75.550 -6.016 -2.928 1.00 1.00 H new ATOM 0 HB3 GLU A 71 73.920 -5.413 -2.699 1.00 1.00 H new ATOM 0 HG2 GLU A 71 74.903 -3.455 -1.381 1.00 1.00 H new ATOM 0 HG3 GLU A 71 76.502 -4.028 -1.812 1.00 1.00 H new ATOM 1058 N ALA A 72 73.997 -8.301 -1.322 1.00 1.00 N ATOM 1059 CA ALA A 72 72.941 -9.352 -1.305 1.00 1.00 C ATOM 1060 C ALA A 72 72.506 -9.612 0.139 1.00 1.00 C ATOM 1061 O ALA A 72 73.292 -10.026 0.968 1.00 1.00 O ATOM 1062 CB ALA A 72 73.495 -10.642 -1.911 1.00 1.00 C ATOM 0 H ALA A 72 74.884 -8.583 -1.738 1.00 1.00 H new ATOM 0 HA ALA A 72 72.084 -9.016 -1.889 1.00 1.00 H new ATOM 0 HB1 ALA A 72 72.723 -11.411 -1.899 1.00 1.00 H new ATOM 0 HB2 ALA A 72 73.806 -10.457 -2.939 1.00 1.00 H new ATOM 0 HB3 ALA A 72 74.352 -10.979 -1.328 1.00 1.00 H new ATOM 1068 N CYS A 73 71.260 -9.371 0.446 1.00 1.00 N ATOM 1069 CA CYS A 73 70.776 -9.604 1.836 1.00 1.00 C ATOM 1070 C CYS A 73 71.131 -11.029 2.267 1.00 1.00 C ATOM 1071 O CYS A 73 70.351 -11.948 2.114 1.00 1.00 O ATOM 1072 CB CYS A 73 69.255 -9.413 1.883 1.00 1.00 C ATOM 1073 SG CYS A 73 68.869 -7.863 2.734 1.00 1.00 S ATOM 0 H CYS A 73 70.557 -9.023 -0.206 1.00 1.00 H new ATOM 0 HA CYS A 73 71.251 -8.894 2.513 1.00 1.00 H new ATOM 0 HB2 CYS A 73 68.848 -9.396 0.872 1.00 1.00 H new ATOM 0 HB3 CYS A 73 68.788 -10.251 2.401 1.00 1.00 H new ATOM 1078 N ASN A 74 72.305 -11.220 2.807 1.00 1.00 N ATOM 1079 CA ASN A 74 72.713 -12.584 3.252 1.00 1.00 C ATOM 1080 C ASN A 74 72.418 -12.735 4.746 1.00 1.00 C ATOM 1081 O ASN A 74 73.307 -12.947 5.545 1.00 1.00 O ATOM 1082 CB ASN A 74 74.213 -12.774 3.001 1.00 1.00 C ATOM 1083 CG ASN A 74 74.543 -14.268 2.975 1.00 1.00 C ATOM 1084 OD1 ASN A 74 73.613 -15.134 3.270 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 75.659 -14.650 2.683 1.00 1.00 N flip ATOM 0 H ASN A 74 73.000 -10.489 2.959 1.00 1.00 H new ATOM 0 HA ASN A 74 72.156 -13.336 2.693 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.495 -12.312 2.055 1.00 1.00 H new ATOM 0 HB3 ASN A 74 74.789 -12.277 3.782 1.00 1.00 H new ATOM 0 HD21 ASN A 74 76.386 -13.973 2.452 1.00 1.00 H new ATOM 0 HD22 ASN A 74 75.869 -15.648 2.668 1.00 1.00 H new ATOM 1092 N HIS A 75 71.174 -12.619 5.126 1.00 1.00 N ATOM 1093 CA HIS A 75 70.810 -12.748 6.567 1.00 1.00 C ATOM 1094 C HIS A 75 71.301 -11.513 7.326 1.00 1.00 C ATOM 1095 O HIS A 75 71.677 -11.589 8.479 1.00 1.00 O ATOM 1096 CB HIS A 75 71.458 -14.005 7.161 1.00 1.00 C ATOM 1097 CG HIS A 75 71.509 -15.085 6.116 1.00 1.00 C ATOM 1098 ND1 HIS A 75 70.373 -15.529 5.455 1.00 1.00 N ATOM 1099 CD2 HIS A 75 72.552 -15.821 5.606 1.00 1.00 C ATOM 1100 CE1 HIS A 75 70.753 -16.489 4.593 1.00 1.00 C ATOM 1101 NE2 HIS A 75 72.069 -16.704 4.646 1.00 1.00 N ATOM 0 H HIS A 75 70.391 -12.440 4.498 1.00 1.00 H new ATOM 0 HA HIS A 75 69.727 -12.829 6.658 1.00 1.00 H new ATOM 0 HB2 HIS A 75 72.464 -13.777 7.513 1.00 1.00 H new ATOM 0 HB3 HIS A 75 70.888 -14.347 8.025 1.00 1.00 H new ATOM 0 HD2 HIS A 75 73.586 -15.728 5.904 1.00 1.00 H new ATOM 0 HE1 HIS A 75 70.077 -17.020 3.939 1.00 1.00 H new ATOM 0 HE2 HIS A 75 72.607 -17.375 4.098 1.00 1.00 H new ATOM 1110 N CYS A 76 71.302 -10.374 6.686 1.00 1.00 N ATOM 1111 CA CYS A 76 71.770 -9.133 7.367 1.00 1.00 C ATOM 1112 C CYS A 76 70.568 -8.381 7.942 1.00 1.00 C ATOM 1113 O CYS A 76 70.715 -7.417 8.666 1.00 1.00 O ATOM 1114 CB CYS A 76 72.497 -8.243 6.356 1.00 1.00 C ATOM 1115 SG CYS A 76 73.697 -7.201 7.223 1.00 1.00 S ATOM 0 H CYS A 76 70.999 -10.250 5.720 1.00 1.00 H new ATOM 0 HA CYS A 76 72.452 -9.396 8.176 1.00 1.00 H new ATOM 0 HB2 CYS A 76 73.004 -8.858 5.612 1.00 1.00 H new ATOM 0 HB3 CYS A 76 71.779 -7.621 5.820 1.00 1.00 H new ATOM 1120 N GLU A 77 69.378 -8.812 7.623 1.00 1.00 N ATOM 1121 CA GLU A 77 68.169 -8.119 8.151 1.00 1.00 C ATOM 1122 C GLU A 77 68.017 -8.417 9.644 1.00 1.00 C ATOM 1123 O GLU A 77 67.507 -7.612 10.398 1.00 1.00 O ATOM 1124 CB GLU A 77 66.928 -8.611 7.400 1.00 1.00 C ATOM 1125 CG GLU A 77 66.989 -10.133 7.253 1.00 1.00 C ATOM 1126 CD GLU A 77 65.632 -10.654 6.775 1.00 1.00 C ATOM 1127 OE1 GLU A 77 65.116 -10.110 5.813 1.00 1.00 O ATOM 1128 OE2 GLU A 77 65.132 -11.589 7.380 1.00 1.00 O ATOM 0 H GLU A 77 69.191 -9.613 7.020 1.00 1.00 H new ATOM 0 HA GLU A 77 68.277 -7.044 8.007 1.00 1.00 H new ATOM 0 HB2 GLU A 77 66.026 -8.323 7.940 1.00 1.00 H new ATOM 0 HB3 GLU A 77 66.875 -8.142 6.417 1.00 1.00 H new ATOM 0 HG2 GLU A 77 67.768 -10.409 6.542 1.00 1.00 H new ATOM 0 HG3 GLU A 77 67.251 -10.591 8.207 1.00 1.00 H new ATOM 1135 N LEU A 78 68.457 -9.567 10.078 1.00 1.00 N ATOM 1136 CA LEU A 78 68.338 -9.913 11.524 1.00 1.00 C ATOM 1137 C LEU A 78 69.378 -9.127 12.323 1.00 1.00 C ATOM 1138 O LEU A 78 69.741 -9.495 13.422 1.00 1.00 O ATOM 1139 CB LEU A 78 68.562 -11.417 11.715 1.00 1.00 C ATOM 1140 CG LEU A 78 69.909 -11.820 11.112 1.00 1.00 C ATOM 1141 CD1 LEU A 78 71.030 -11.494 12.101 1.00 1.00 C ATOM 1142 CD2 LEU A 78 69.907 -13.322 10.822 1.00 1.00 C ATOM 0 H LEU A 78 68.893 -10.281 9.495 1.00 1.00 H new ATOM 0 HA LEU A 78 67.340 -9.654 11.879 1.00 1.00 H new ATOM 0 HB2 LEU A 78 68.539 -11.666 12.776 1.00 1.00 H new ATOM 0 HB3 LEU A 78 67.758 -11.977 11.239 1.00 1.00 H new ATOM 0 HG LEU A 78 70.071 -11.270 10.185 1.00 1.00 H new ATOM 0 HD11 LEU A 78 71.990 -11.781 11.671 1.00 1.00 H new ATOM 0 HD12 LEU A 78 71.032 -10.424 12.309 1.00 1.00 H new ATOM 0 HD13 LEU A 78 70.869 -12.044 13.028 1.00 1.00 H new ATOM 0 HD21 LEU A 78 70.866 -13.611 10.392 1.00 1.00 H new ATOM 0 HD22 LEU A 78 69.745 -13.871 11.749 1.00 1.00 H new ATOM 0 HD23 LEU A 78 69.109 -13.555 10.117 1.00 1.00 H new ATOM 1154 N HIS A 79 69.861 -8.046 11.774 1.00 1.00 N ATOM 1155 CA HIS A 79 70.881 -7.230 12.493 1.00 1.00 C ATOM 1156 C HIS A 79 70.422 -6.989 13.936 1.00 1.00 C ATOM 1157 O HIS A 79 69.329 -7.356 14.319 1.00 1.00 O ATOM 1158 CB HIS A 79 71.048 -5.887 11.768 1.00 1.00 C ATOM 1159 CG HIS A 79 72.511 -5.593 11.582 1.00 1.00 C ATOM 1160 ND1 HIS A 79 73.516 -5.330 12.481 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 73.101 -5.543 10.328 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 74.708 -5.122 11.794 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 74.405 -5.261 10.502 1.00 1.00 N flip ATOM 0 H HIS A 79 69.593 -7.692 10.856 1.00 1.00 H new ATOM 0 HA HIS A 79 71.834 -7.758 12.508 1.00 1.00 H new ATOM 0 HB2 HIS A 79 70.547 -5.920 10.800 1.00 1.00 H new ATOM 0 HB3 HIS A 79 70.577 -5.090 12.344 1.00 1.00 H new ATOM 0 HD2 HIS A 79 72.604 -5.702 9.383 1.00 1.00 H new ATOM 0 HE1 HIS A 79 75.675 -4.896 12.218 1.00 1.00 H new ATOM 0 HE2 HIS A 79 75.078 -5.165 9.741 1.00 1.00 H new ATOM 1172 N GLU A 80 71.251 -6.374 14.737 1.00 1.00 N ATOM 1173 CA GLU A 80 70.867 -6.109 16.155 1.00 1.00 C ATOM 1174 C GLU A 80 70.311 -4.688 16.281 1.00 1.00 C ATOM 1175 O GLU A 80 69.302 -4.463 16.920 1.00 1.00 O ATOM 1176 CB GLU A 80 72.098 -6.256 17.053 1.00 1.00 C ATOM 1177 CG GLU A 80 71.653 -6.423 18.507 1.00 1.00 C ATOM 1178 CD GLU A 80 71.122 -7.841 18.720 1.00 1.00 C ATOM 1179 OE1 GLU A 80 71.933 -8.741 18.866 1.00 1.00 O ATOM 1180 OE2 GLU A 80 69.913 -8.005 18.733 1.00 1.00 O ATOM 0 H GLU A 80 72.178 -6.043 14.471 1.00 1.00 H new ATOM 0 HA GLU A 80 70.104 -6.824 16.462 1.00 1.00 H new ATOM 0 HB2 GLU A 80 72.688 -7.118 16.741 1.00 1.00 H new ATOM 0 HB3 GLU A 80 72.739 -5.379 16.956 1.00 1.00 H new ATOM 0 HG2 GLU A 80 72.490 -6.232 19.179 1.00 1.00 H new ATOM 0 HG3 GLU A 80 70.879 -5.694 18.747 1.00 1.00 H new ATOM 1187 N LEU A 81 70.959 -3.725 15.681 1.00 1.00 N ATOM 1188 CA LEU A 81 70.459 -2.323 15.776 1.00 1.00 C ATOM 1189 C LEU A 81 69.326 -2.113 14.771 1.00 1.00 C ATOM 1190 O LEU A 81 68.929 -0.999 14.491 1.00 1.00 O ATOM 1191 CB LEU A 81 71.605 -1.338 15.495 1.00 1.00 C ATOM 1192 CG LEU A 81 71.951 -1.359 14.005 1.00 1.00 C ATOM 1193 CD1 LEU A 81 73.040 -0.323 13.719 1.00 1.00 C ATOM 1194 CD2 LEU A 81 72.458 -2.750 13.620 1.00 1.00 C ATOM 0 H LEU A 81 71.809 -3.848 15.131 1.00 1.00 H new ATOM 0 HA LEU A 81 70.081 -2.143 16.782 1.00 1.00 H new ATOM 0 HB2 LEU A 81 71.314 -0.332 15.796 1.00 1.00 H new ATOM 0 HB3 LEU A 81 72.481 -1.607 16.085 1.00 1.00 H new ATOM 0 HG LEU A 81 71.061 -1.121 13.422 1.00 1.00 H new ATOM 0 HD11 LEU A 81 73.287 -0.338 12.657 1.00 1.00 H new ATOM 0 HD12 LEU A 81 72.680 0.668 13.994 1.00 1.00 H new ATOM 0 HD13 LEU A 81 73.930 -0.560 14.302 1.00 1.00 H new ATOM 0 HD21 LEU A 81 72.705 -2.766 12.558 1.00 1.00 H new ATOM 0 HD22 LEU A 81 73.348 -2.987 14.203 1.00 1.00 H new ATOM 0 HD23 LEU A 81 71.683 -3.489 13.824 1.00 1.00 H new ATOM 1206 N ALA A 82 68.799 -3.176 14.228 1.00 1.00 N ATOM 1207 CA ALA A 82 67.689 -3.037 13.244 1.00 1.00 C ATOM 1208 C ALA A 82 66.530 -2.278 13.892 1.00 1.00 C ATOM 1209 O ALA A 82 65.609 -2.867 14.426 1.00 1.00 O ATOM 1210 CB ALA A 82 67.215 -4.427 12.812 1.00 1.00 C ATOM 0 H ALA A 82 69.089 -4.134 14.423 1.00 1.00 H new ATOM 0 HA ALA A 82 68.040 -2.487 12.371 1.00 1.00 H new ATOM 0 HB1 ALA A 82 66.403 -4.327 12.092 1.00 1.00 H new ATOM 0 HB2 ALA A 82 68.043 -4.967 12.353 1.00 1.00 H new ATOM 0 HB3 ALA A 82 66.861 -4.978 13.683 1.00 1.00 H new ATOM 1216 N GLN A 83 66.569 -0.973 13.854 1.00 1.00 N ATOM 1217 CA GLN A 83 65.473 -0.174 14.472 1.00 1.00 C ATOM 1218 C GLN A 83 65.346 1.167 13.743 1.00 1.00 C ATOM 1219 O GLN A 83 64.489 1.972 14.052 1.00 1.00 O ATOM 1220 CB GLN A 83 65.797 0.075 15.949 1.00 1.00 C ATOM 1221 CG GLN A 83 64.524 0.481 16.694 1.00 1.00 C ATOM 1222 CD GLN A 83 63.935 -0.740 17.403 1.00 1.00 C ATOM 1223 OE1 GLN A 83 62.789 -1.084 17.193 1.00 1.00 O ATOM 1224 NE2 GLN A 83 64.675 -1.414 18.240 1.00 1.00 N ATOM 0 H GLN A 83 67.313 -0.426 13.421 1.00 1.00 H new ATOM 0 HA GLN A 83 64.533 -0.720 14.392 1.00 1.00 H new ATOM 0 HB2 GLN A 83 66.220 -0.825 16.395 1.00 1.00 H new ATOM 0 HB3 GLN A 83 66.549 0.859 16.039 1.00 1.00 H new ATOM 0 HG2 GLN A 83 64.748 1.263 17.420 1.00 1.00 H new ATOM 0 HG3 GLN A 83 63.797 0.894 15.995 1.00 1.00 H new ATOM 0 HE21 GLN A 83 65.637 -1.125 18.417 1.00 1.00 H new ATOM 0 HE22 GLN A 83 64.291 -2.229 18.718 1.00 1.00 H new ATOM 1233 N TYR A 84 66.195 1.414 12.778 1.00 1.00 N ATOM 1234 CA TYR A 84 66.124 2.704 12.029 1.00 1.00 C ATOM 1235 C TYR A 84 66.370 2.447 10.541 1.00 1.00 C ATOM 1236 O TYR A 84 66.960 3.257 9.851 1.00 1.00 O ATOM 1237 CB TYR A 84 67.196 3.662 12.555 1.00 1.00 C ATOM 1238 CG TYR A 84 66.890 4.024 13.989 1.00 1.00 C ATOM 1239 CD1 TYR A 84 67.381 3.229 15.031 1.00 1.00 C ATOM 1240 CD2 TYR A 84 66.117 5.156 14.275 1.00 1.00 C ATOM 1241 CE1 TYR A 84 67.097 3.565 16.361 1.00 1.00 C ATOM 1242 CE2 TYR A 84 65.834 5.492 15.604 1.00 1.00 C ATOM 1243 CZ TYR A 84 66.324 4.697 16.647 1.00 1.00 C ATOM 1244 OH TYR A 84 66.045 5.028 17.957 1.00 1.00 O ATOM 0 H TYR A 84 66.934 0.778 12.477 1.00 1.00 H new ATOM 0 HA TYR A 84 65.137 3.145 12.167 1.00 1.00 H new ATOM 0 HB2 TYR A 84 68.179 3.196 12.489 1.00 1.00 H new ATOM 0 HB3 TYR A 84 67.227 4.562 11.941 1.00 1.00 H new ATOM 0 HD1 TYR A 84 67.979 2.357 14.810 1.00 1.00 H new ATOM 0 HD2 TYR A 84 65.739 5.770 13.470 1.00 1.00 H new ATOM 0 HE1 TYR A 84 67.474 2.951 17.166 1.00 1.00 H new ATOM 0 HE2 TYR A 84 65.237 6.365 15.825 1.00 1.00 H new ATOM 0 HH TYR A 84 65.499 5.841 17.980 1.00 1.00 H new ATOM 1254 N GLY A 85 65.923 1.327 10.038 1.00 1.00 N ATOM 1255 CA GLY A 85 66.134 1.024 8.592 1.00 1.00 C ATOM 1256 C GLY A 85 66.234 -0.489 8.395 1.00 1.00 C ATOM 1257 O GLY A 85 66.552 -0.965 7.322 1.00 1.00 O ATOM 0 H GLY A 85 65.422 0.611 10.564 1.00 1.00 H new ATOM 0 HA2 GLY A 85 65.309 1.424 8.002 1.00 1.00 H new ATOM 0 HA3 GLY A 85 67.044 1.508 8.237 1.00 1.00 H new ATOM 1261 N ILE A 86 65.964 -1.249 9.425 1.00 1.00 N ATOM 1262 CA ILE A 86 66.043 -2.733 9.300 1.00 1.00 C ATOM 1263 C ILE A 86 67.316 -3.109 8.537 1.00 1.00 C ATOM 1264 O ILE A 86 67.268 -3.641 7.445 1.00 1.00 O ATOM 1265 CB ILE A 86 64.812 -3.249 8.548 1.00 1.00 C ATOM 1266 CG1 ILE A 86 63.545 -2.714 9.219 1.00 1.00 C ATOM 1267 CG2 ILE A 86 64.797 -4.778 8.580 1.00 1.00 C ATOM 1268 CD1 ILE A 86 62.983 -1.552 8.397 1.00 1.00 C ATOM 0 H ILE A 86 65.693 -0.905 10.346 1.00 1.00 H new ATOM 0 HA ILE A 86 66.070 -3.185 10.292 1.00 1.00 H new ATOM 0 HB ILE A 86 64.849 -2.908 7.513 1.00 1.00 H new ATOM 0 HG12 ILE A 86 62.802 -3.507 9.302 1.00 1.00 H new ATOM 0 HG13 ILE A 86 63.770 -2.381 10.232 1.00 1.00 H new ATOM 0 HG21 ILE A 86 63.921 -5.145 8.045 1.00 1.00 H new ATOM 0 HG22 ILE A 86 65.700 -5.161 8.104 1.00 1.00 H new ATOM 0 HG23 ILE A 86 64.760 -5.120 9.614 1.00 1.00 H new ATOM 0 HD11 ILE A 86 62.081 -1.171 8.875 1.00 1.00 H new ATOM 0 HD12 ILE A 86 63.725 -0.756 8.337 1.00 1.00 H new ATOM 0 HD13 ILE A 86 62.742 -1.900 7.392 1.00 1.00 H new ATOM 1280 N CYS A 87 68.455 -2.828 9.105 1.00 1.00 N ATOM 1281 CA CYS A 87 69.737 -3.157 8.422 1.00 1.00 C ATOM 1282 C CYS A 87 70.066 -4.637 8.634 1.00 1.00 C ATOM 1283 CB CYS A 87 70.857 -2.294 9.006 1.00 1.00 C ATOM 1284 SG CYS A 87 72.372 -2.533 8.044 1.00 1.00 S ATOM 0 H CYS A 87 68.554 -2.382 10.017 1.00 1.00 H new ATOM 0 HA CYS A 87 69.643 -2.959 7.354 1.00 1.00 H new ATOM 0 HB2 CYS A 87 70.566 -1.244 8.990 1.00 1.00 H new ATOM 0 HB3 CYS A 87 71.030 -2.561 10.048 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 60.130 -4.762 -7.671 1.00 1.00 C HETATM 1291 O1G RCY A 110 56.678 -5.293 -8.807 1.00 1.00 O HETATM 1292 O1H RCY A 110 60.076 -7.775 -10.950 1.00 1.00 O HETATM 1293 O1J RCY A 110 57.475 -4.205 -6.362 1.00 1.00 O HETATM 1294 C1L RCY A 110 57.255 -5.661 -11.156 1.00 1.00 C HETATM 1295 C1M RCY A 110 58.173 -7.873 -7.237 1.00 1.00 C HETATM 1296 C1P RCY A 110 57.433 -5.795 -9.639 1.00 1.00 C HETATM 1297 C1Q RCY A 110 59.274 -6.889 -10.659 1.00 1.00 C HETATM 1298 N1R RCY A 110 58.664 -6.629 -9.288 1.00 1.00 N HETATM 1299 C1S RCY A 110 58.708 -5.848 -11.608 1.00 1.00 C HETATM 1300 C1U RCY A 110 59.164 -7.090 -7.917 1.00 1.00 C HETATM 1301 C1V RCY A 110 60.203 -6.380 -5.720 1.00 1.00 C HETATM 1302 N1V RCY A 110 58.009 -5.544 -6.593 1.00 1.00 N HETATM 1303 C1W RCY A 110 57.260 -6.874 -6.516 1.00 1.00 C HETATM 1304 C1X RCY A 110 59.435 -5.927 -6.963 1.00 1.00 C HETATM 1305 C1Y RCY A 110 57.054 -7.289 -5.056 1.00 1.00 C HETATM 1306 C1Z RCY A 110 55.916 -6.733 -7.231 1.00 1.00 C HETATM 0 H1ZB RCY A 110 56.081 -6.379 -8.249 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 55.416 -7.701 -7.260 1.00 1.00 H new HETATM 0 H1YB RCY A 110 56.595 -8.277 -5.020 1.00 1.00 H new HETATM 0 H1VB RCY A 110 61.203 -6.704 -6.008 1.00 1.00 H new HETATM 0 H1VA RCY A 110 60.279 -5.551 -5.017 1.00 1.00 H new HETATM 0 H1MA RCY A 110 57.606 -8.480 -7.942 1.00 1.00 H new HETATM 0 H1LA RCY A 110 56.589 -6.420 -11.567 1.00 1.00 H new HETATM 0 H1CB RCY A 110 61.083 -5.100 -8.078 1.00 1.00 H new HETATM 0 H1CA RCY A 110 59.498 -4.399 -8.481 1.00 1.00 H new HETATM 0 H1Z RCY A 110 55.292 -6.018 -6.695 1.00 1.00 H new HETATM 0 H1V RCY A 110 59.675 -7.209 -5.248 1.00 1.00 H new HETATM 0 H1U RCY A 110 60.074 -7.649 -8.136 1.00 1.00 H new HETATM 0 H1S RCY A 110 59.265 -4.913 -11.549 1.00 1.00 H new HETATM 0 H1M RCY A 110 58.637 -8.558 -6.528 1.00 1.00 H new HETATM 0 H1L RCY A 110 56.850 -4.691 -11.445 1.00 1.00 H new HETATM 0 H1C RCY A 110 60.305 -3.956 -6.959 1.00 1.00 H new HETATM 1309 C1C RCY A 121 58.621 2.223 -3.246 1.00 1.00 C HETATM 1310 O1G RCY A 121 61.966 4.791 -3.385 1.00 1.00 O HETATM 1311 O1H RCY A 121 58.423 4.795 -0.263 1.00 1.00 O HETATM 1312 O1J RCY A 121 60.924 2.136 -5.185 1.00 1.00 O HETATM 1313 C1L RCY A 121 60.471 6.539 -2.551 1.00 1.00 C HETATM 1314 C1M RCY A 121 61.868 2.350 -1.474 1.00 1.00 C HETATM 1315 C1P RCY A 121 61.012 5.109 -2.676 1.00 1.00 C HETATM 1316 C1Q RCY A 121 59.114 5.018 -1.255 1.00 1.00 C HETATM 1317 N1R RCY A 121 60.220 4.130 -1.812 1.00 1.00 N HETATM 1318 C1S RCY A 121 59.021 6.236 -2.156 1.00 1.00 C HETATM 1319 C1U RCY A 121 60.465 2.640 -1.561 1.00 1.00 C HETATM 1320 C1V RCY A 121 59.960 0.278 -2.321 1.00 1.00 C HETATM 1321 N1V RCY A 121 61.069 2.022 -3.737 1.00 1.00 N HETATM 1322 C1W RCY A 121 62.351 2.140 -2.915 1.00 1.00 C HETATM 1323 C1X RCY A 121 59.977 1.758 -2.709 1.00 1.00 C HETATM 1324 C1Y RCY A 121 63.177 0.856 -3.024 1.00 1.00 C HETATM 1325 C1Z RCY A 121 63.155 3.342 -3.411 1.00 1.00 C HETATM 0 H1ZB RCY A 121 62.530 4.235 -3.381 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 64.025 3.487 -2.771 1.00 1.00 H new HETATM 0 H1YB RCY A 121 64.044 0.924 -2.367 1.00 1.00 H new HETATM 0 H1YA RCY A 121 62.565 0.004 -2.729 1.00 1.00 H new HETATM 0 H1VB RCY A 121 59.212 0.114 -1.546 1.00 1.00 H new HETATM 0 H1VA RCY A 121 59.715 -0.325 -3.196 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.406 3.170 -0.998 1.00 1.00 H new HETATM 0 H1LA RCY A 121 60.997 7.120 -1.794 1.00 1.00 H new HETATM 0 H1CB RCY A 121 57.881 2.185 -2.447 1.00 1.00 H new HETATM 0 H1CA RCY A 121 58.706 3.246 -3.613 1.00 1.00 H new HETATM 0 H1Z RCY A 121 63.483 3.163 -4.435 1.00 1.00 H new HETATM 0 H1Y RCY A 121 63.511 0.724 -4.053 1.00 1.00 H new HETATM 0 H1V RCY A 121 60.941 -0.011 -1.945 1.00 1.00 H new HETATM 0 H1U RCY A 121 59.927 2.430 -0.637 1.00 1.00 H new HETATM 0 H1S RCY A 121 58.406 6.034 -3.033 1.00 1.00 H new HETATM 0 H1M RCY A 121 62.045 1.460 -0.870 1.00 1.00 H new HETATM 0 H1L RCY A 121 60.542 7.095 -3.486 1.00 1.00 H new HETATM 0 H1C RCY A 121 58.309 1.570 -4.061 1.00 1.00 H new HETATM 1328 C1C RCY A 130 73.309 9.019 -4.111 1.00 1.00 C HETATM 1329 O1G RCY A 130 72.061 11.658 -6.594 1.00 1.00 O HETATM 1330 O1H RCY A 130 75.900 12.472 -3.966 1.00 1.00 O HETATM 1331 O1J RCY A 130 71.348 8.820 -6.388 1.00 1.00 O HETATM 1332 C1L RCY A 130 72.739 13.512 -5.148 1.00 1.00 C HETATM 1333 C1M RCY A 130 74.855 10.072 -7.304 1.00 1.00 C HETATM 1334 C1P RCY A 130 72.883 12.138 -5.815 1.00 1.00 C HETATM 1335 C1Q RCY A 130 74.735 12.408 -4.356 1.00 1.00 C HETATM 1336 N1R RCY A 130 74.174 11.440 -5.390 1.00 1.00 N HETATM 1337 C1S RCY A 130 73.586 13.284 -3.892 1.00 1.00 C HETATM 1338 C1U RCY A 130 74.762 10.112 -5.873 1.00 1.00 C HETATM 1339 C1V RCY A 130 74.611 7.588 -5.749 1.00 1.00 C HETATM 1340 N1V RCY A 130 72.773 9.085 -6.557 1.00 1.00 N HETATM 1341 C1W RCY A 130 73.486 9.596 -7.807 1.00 1.00 C HETATM 1342 C1X RCY A 130 73.880 8.913 -5.526 1.00 1.00 C HETATM 1343 C1Y RCY A 130 73.651 8.467 -8.829 1.00 1.00 C HETATM 1344 C1Z RCY A 130 72.682 10.751 -8.405 1.00 1.00 C HETATM 0 H1ZB RCY A 130 72.525 11.517 -7.645 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 73.230 11.179 -9.244 1.00 1.00 H new HETATM 0 H1YB RCY A 130 74.234 8.826 -9.677 1.00 1.00 H new HETATM 0 H1YA RCY A 130 74.168 7.628 -8.364 1.00 1.00 H new HETATM 0 H1VB RCY A 130 75.436 7.504 -5.041 1.00 1.00 H new HETATM 0 H1VA RCY A 130 73.918 6.760 -5.598 1.00 1.00 H new HETATM 0 H1MA RCY A 130 75.097 11.056 -7.706 1.00 1.00 H new HETATM 0 H1LA RCY A 130 73.124 14.320 -5.770 1.00 1.00 H new HETATM 0 H1CB RCY A 130 74.126 9.062 -3.391 1.00 1.00 H new HETATM 0 H1CA RCY A 130 72.705 9.923 -4.029 1.00 1.00 H new HETATM 0 H1Z RCY A 130 71.717 10.381 -8.752 1.00 1.00 H new HETATM 0 H1Y RCY A 130 72.669 8.142 -9.174 1.00 1.00 H new HETATM 0 H1V RCY A 130 75.001 7.554 -6.766 1.00 1.00 H new HETATM 0 H1U RCY A 130 75.733 10.052 -5.380 1.00 1.00 H new HETATM 0 H1S RCY A 130 73.008 12.796 -3.108 1.00 1.00 H new HETATM 0 H1M RCY A 130 75.645 9.393 -7.624 1.00 1.00 H new HETATM 0 H1L RCY A 130 71.703 13.756 -4.914 1.00 1.00 H new HETATM 0 H1C RCY A 130 72.688 8.148 -3.903 1.00 1.00 H new HETATM 1347 C1C RCY A 138 81.522 3.122 -6.003 1.00 1.00 C HETATM 1348 O1G RCY A 138 84.554 4.904 -5.240 1.00 1.00 O HETATM 1349 O1H RCY A 138 82.061 4.867 -1.230 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.378 0.417 -5.336 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.213 6.553 -3.465 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.319 2.154 -2.521 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.004 5.215 -4.185 1.00 1.00 C HETATM 1354 C1Q RCY A 138 82.579 5.221 -2.288 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.029 4.315 -3.428 1.00 1.00 N HETATM 1356 C1S RCY A 138 82.888 6.649 -2.700 1.00 1.00 C HETATM 1357 C1U RCY A 138 82.605 2.876 -3.728 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.204 3.657 -3.905 1.00 1.00 C HETATM 1359 N1V RCY A 138 80.975 1.318 -4.354 1.00 1.00 N HETATM 1360 C1W RCY A 138 81.409 0.988 -2.927 1.00 1.00 C HETATM 1361 C1X RCY A 138 81.304 2.794 -4.524 1.00 1.00 C HETATM 1362 C1Y RCY A 138 80.191 0.908 -2.002 1.00 1.00 C HETATM 1363 C1Z RCY A 138 82.172 -0.337 -2.929 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.999 -0.280 -3.637 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 82.562 -0.534 -1.930 1.00 1.00 H new HETATM 0 H1YB RCY A 138 80.523 0.755 -0.975 1.00 1.00 H new HETATM 0 H1YA RCY A 138 79.624 1.837 -2.066 1.00 1.00 H new HETATM 0 H1VB RCY A 138 80.479 4.709 -3.984 1.00 1.00 H new HETATM 0 H1VA RCY A 138 79.266 3.486 -4.434 1.00 1.00 H new HETATM 0 H1CA RCY A 138 82.231 2.414 -6.432 1.00 1.00 H new HETATM 0 H1Z RCY A 138 81.500 -1.144 -3.221 1.00 1.00 H new HETATM 0 H1Y RCY A 138 79.557 0.075 -2.306 1.00 1.00 H new HETATM 0 H1V RCY A 138 80.081 3.392 -2.855 1.00 1.00 H new HETATM 0 H1S RCY A 138 82.097 7.061 -3.327 1.00 1.00 H new HETATM 0 H1L RCY A 138 84.356 7.382 -4.158 1.00 1.00 H new HETATM 1366 C1C RCY A 150 77.119 5.205 10.049 1.00 1.00 C HETATM 1367 O1G RCY A 150 79.665 1.130 12.128 1.00 1.00 O HETATM 1368 O1H RCY A 150 78.370 5.648 11.666 1.00 1.00 O HETATM 1369 O1J RCY A 150 79.565 6.040 8.503 1.00 1.00 O HETATM 1370 C1L RCY A 150 79.925 3.101 13.554 1.00 1.00 C HETATM 1371 C1M RCY A 150 79.135 2.268 9.048 1.00 1.00 C HETATM 1372 C1P RCY A 150 79.501 2.338 12.293 1.00 1.00 C HETATM 1373 C1Q RCY A 150 79.010 4.629 11.924 1.00 1.00 C HETATM 1374 N1R RCY A 150 78.851 3.264 11.267 1.00 1.00 N HETATM 1375 C1S RCY A 150 80.110 4.503 12.963 1.00 1.00 C HETATM 1376 C1U RCY A 150 78.204 2.921 9.923 1.00 1.00 C HETATM 1377 C1V RCY A 150 76.873 3.797 7.956 1.00 1.00 C HETATM 1378 N1V RCY A 150 79.121 4.656 8.648 1.00 1.00 N HETATM 1379 C1W RCY A 150 79.909 3.385 8.338 1.00 1.00 C HETATM 1380 C1X RCY A 150 77.769 4.159 9.141 1.00 1.00 C HETATM 1381 C1Y RCY A 150 79.950 3.136 6.827 1.00 1.00 C HETATM 1382 C1Z RCY A 150 81.324 3.524 8.899 1.00 1.00 C HETATM 0 H1ZB RCY A 150 81.272 3.760 9.962 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 81.864 2.587 8.761 1.00 1.00 H new HETATM 0 H1YB RCY A 150 80.442 2.184 6.628 1.00 1.00 H new HETATM 0 H1YA RCY A 150 78.933 3.107 6.435 1.00 1.00 H new HETATM 0 H1VB RCY A 150 75.930 3.391 8.323 1.00 1.00 H new HETATM 0 H1VA RCY A 150 76.677 4.690 7.362 1.00 1.00 H new HETATM 0 H1MA RCY A 150 79.810 1.623 9.610 1.00 1.00 H new HETATM 0 H1LA RCY A 150 79.164 3.074 14.334 1.00 1.00 H new HETATM 0 H1CB RCY A 150 76.238 4.775 10.527 1.00 1.00 H new HETATM 0 H1CA RCY A 150 77.831 5.516 10.813 1.00 1.00 H new HETATM 0 H1Z RCY A 150 81.846 4.324 8.375 1.00 1.00 H new HETATM 0 H1Y RCY A 150 80.503 3.939 6.341 1.00 1.00 H new HETATM 0 H1V RCY A 150 77.372 3.052 7.337 1.00 1.00 H new HETATM 0 H1U RCY A 150 77.352 2.294 10.187 1.00 1.00 H new HETATM 0 H1S RCY A 150 81.096 4.616 12.512 1.00 1.00 H new HETATM 0 H1M RCY A 150 78.615 1.636 8.328 1.00 1.00 H new HETATM 0 H1L RCY A 150 80.843 2.708 13.991 1.00 1.00 H new HETATM 0 H1C RCY A 150 76.824 6.070 9.455 1.00 1.00 H new HETATM 1385 C1C RCY A 160 76.727 4.845 -1.841 1.00 1.00 C HETATM 1386 O1G RCY A 160 79.297 4.461 -1.187 1.00 1.00 O HETATM 1387 O1H RCY A 160 78.663 5.912 3.262 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.991 6.085 -1.621 1.00 1.00 O HETATM 1389 C1L RCY A 160 80.822 4.807 0.695 1.00 1.00 C HETATM 1390 C1M RCY A 160 76.233 6.418 1.472 1.00 1.00 C HETATM 1391 C1P RCY A 160 79.467 4.824 -0.024 1.00 1.00 C HETATM 1392 C1Q RCY A 160 79.127 5.748 2.134 1.00 1.00 C HETATM 1393 N1R RCY A 160 78.355 5.347 0.883 1.00 1.00 N HETATM 1394 C1S RCY A 160 80.582 5.909 1.733 1.00 1.00 C HETATM 1395 C1U RCY A 160 76.852 5.448 0.615 1.00 1.00 C HETATM 1396 C1V RCY A 160 77.320 7.209 -1.143 1.00 1.00 C HETATM 1397 N1V RCY A 160 75.054 6.270 -0.638 1.00 1.00 N HETATM 1398 C1W RCY A 160 74.931 6.833 0.777 1.00 1.00 C HETATM 1399 C1X RCY A 160 76.533 5.944 -0.794 1.00 1.00 C HETATM 1400 C1Y RCY A 160 74.805 8.359 0.736 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.713 6.210 1.459 1.00 1.00 C HETATM 0 H1ZB RCY A 160 73.793 5.123 1.424 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 73.670 6.538 2.498 1.00 1.00 H new HETATM 0 H1YB RCY A 160 74.803 8.751 1.753 1.00 1.00 H new HETATM 0 H1YA RCY A 160 75.648 8.779 0.187 1.00 1.00 H new HETATM 0 H1VB RCY A 160 78.383 6.973 -1.197 1.00 1.00 H new HETATM 0 H1VA RCY A 160 76.984 7.592 -2.106 1.00 1.00 H new HETATM 0 H1MA RCY A 160 76.031 5.996 2.456 1.00 1.00 H new HETATM 0 H1LA RCY A 160 81.039 3.842 1.153 1.00 1.00 H new HETATM 0 H1CB RCY A 160 77.763 4.505 -1.824 1.00 1.00 H new HETATM 0 H1CA RCY A 160 76.067 4.007 -1.616 1.00 1.00 H new HETATM 0 H1Z RCY A 160 72.806 6.524 0.942 1.00 1.00 H new HETATM 0 H1Y RCY A 160 73.875 8.634 0.239 1.00 1.00 H new HETATM 0 H1V RCY A 160 77.155 7.964 -0.374 1.00 1.00 H new HETATM 0 H1U RCY A 160 76.482 4.436 0.777 1.00 1.00 H new HETATM 0 H1S RCY A 160 80.770 6.897 1.313 1.00 1.00 H new HETATM 0 H1M RCY A 160 76.886 7.278 1.622 1.00 1.00 H new HETATM 0 H1L RCY A 160 81.652 5.037 0.027 1.00 1.00 H new HETATM 0 H1C RCY A 160 76.490 5.238 -2.830 1.00 1.00 H new HETATM 1404 C1C RCY A 168 73.039 -2.043 -3.723 1.00 1.00 C HETATM 1405 O1G RCY A 168 74.449 -4.278 -3.239 1.00 1.00 O HETATM 1406 O1H RCY A 168 77.723 -1.984 -0.727 1.00 1.00 O HETATM 1407 O1J RCY A 168 72.576 0.921 -3.994 1.00 1.00 O HETATM 1408 C1L RCY A 168 76.564 -4.966 -2.219 1.00 1.00 C HETATM 1409 C1M RCY A 168 75.737 -0.112 -2.083 1.00 1.00 C HETATM 1410 C1P RCY A 168 75.462 -3.974 -2.612 1.00 1.00 C HETATM 1411 C1Q RCY A 168 77.171 -2.733 -1.531 1.00 1.00 C HETATM 1412 N1R RCY A 168 75.780 -2.560 -2.128 1.00 1.00 N HETATM 1413 C1S RCY A 168 77.755 -4.008 -2.113 1.00 1.00 C HETATM 1414 C1U RCY A 168 74.930 -1.291 -2.216 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.244 -1.298 -4.728 1.00 1.00 C HETATM 1416 N1V RCY A 168 73.807 0.329 -3.478 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.934 1.029 -2.721 1.00 1.00 C HETATM 1418 C1X RCY A 168 74.253 -1.124 -3.575 1.00 1.00 C HETATM 1419 C1Y RCY A 168 75.812 1.829 -3.688 1.00 1.00 C HETATM 1420 C1Z RCY A 168 74.329 1.945 -1.658 1.00 1.00 C HETATM 0 H1ZB RCY A 168 73.662 1.368 -1.018 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 75.127 2.378 -1.054 1.00 1.00 H new HETATM 0 H1YB RCY A 168 76.658 2.252 -3.146 1.00 1.00 H new HETATM 0 H1YA RCY A 168 76.178 1.171 -4.476 1.00 1.00 H new HETATM 0 H1VA RCY A 168 74.750 -1.062 -5.671 1.00 1.00 H new HETATM 0 H1MA RCY A 168 75.948 0.099 -1.035 1.00 1.00 H new HETATM 0 H1CB RCY A 168 73.355 -3.082 -3.624 1.00 1.00 H new HETATM 0 H1CA RCY A 168 72.310 -1.810 -2.947 1.00 1.00 H new HETATM 0 H1Z RCY A 168 73.766 2.743 -2.143 1.00 1.00 H new HETATM 0 H1Y RCY A 168 75.225 2.634 -4.131 1.00 1.00 H new HETATM 0 H1V RCY A 168 76.091 -0.627 -4.584 1.00 1.00 H new HETATM 0 H1U RCY A 168 74.199 -1.401 -1.415 1.00 1.00 H new HETATM 0 H1S RCY A 168 78.207 -3.828 -3.088 1.00 1.00 H new HETATM 0 H1M RCY A 168 76.697 -0.239 -2.582 1.00 1.00 H new HETATM 0 H1L RCY A 168 76.717 -5.740 -2.971 1.00 1.00 H new HETATM 0 H1C RCY A 168 72.587 -1.893 -4.703 1.00 1.00 H new HETATM 1423 C1C RCY A 173 75.293 -7.560 3.447 1.00 1.00 C HETATM 1424 O1G RCY A 173 73.540 -8.894 4.610 1.00 1.00 O HETATM 1425 O1H RCY A 173 70.755 -5.529 2.813 1.00 1.00 O HETATM 1426 O1J RCY A 173 74.912 -6.310 0.734 1.00 1.00 O HETATM 1427 C1L RCY A 173 71.284 -8.916 3.663 1.00 1.00 C HETATM 1428 C1M RCY A 173 73.323 -4.436 3.679 1.00 1.00 C HETATM 1429 C1P RCY A 173 72.594 -8.270 4.131 1.00 1.00 C HETATM 1430 C1Q RCY A 173 71.160 -6.516 3.426 1.00 1.00 C HETATM 1431 N1R RCY A 173 72.578 -6.756 3.928 1.00 1.00 N HETATM 1432 C1S RCY A 173 70.332 -7.725 3.823 1.00 1.00 C HETATM 1433 C1U RCY A 173 73.693 -5.734 4.165 1.00 1.00 C HETATM 1434 C1V RCY A 173 76.153 -5.213 3.870 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.557 -5.659 1.992 1.00 1.00 N HETATM 1436 C1W RCY A 173 73.687 -4.419 2.189 1.00 1.00 C HETATM 1437 C1X RCY A 173 74.972 -6.065 3.399 1.00 1.00 C HETATM 1438 C1Y RCY A 173 74.474 -3.152 1.841 1.00 1.00 C HETATM 1439 C1Z RCY A 173 72.441 -4.537 1.311 1.00 1.00 C HETATM 0 H1ZB RCY A 173 71.928 -5.473 1.531 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 71.772 -3.700 1.514 1.00 1.00 H new HETATM 0 H1VB RCY A 173 76.404 -5.475 4.898 1.00 1.00 H new HETATM 0 H1VA RCY A 173 77.014 -5.398 3.228 1.00 1.00 H new HETATM 0 H1MA RCY A 173 72.258 -4.256 3.822 1.00 1.00 H new HETATM 0 H1LA RCY A 173 71.338 -9.272 2.634 1.00 1.00 H new HETATM 0 H1CB RCY A 173 75.425 -7.871 4.483 1.00 1.00 H new HETATM 0 H1CA RCY A 173 74.473 -8.123 3.002 1.00 1.00 H new HETATM 0 H1Z RCY A 173 72.733 -4.522 0.261 1.00 1.00 H new HETATM 0 H1V RCY A 173 75.883 -4.158 3.820 1.00 1.00 H new HETATM 0 H1U RCY A 173 73.854 -5.756 5.243 1.00 1.00 H new HETATM 0 H1S RCY A 173 69.973 -7.640 4.849 1.00 1.00 H new HETATM 0 H1M RCY A 173 73.854 -3.652 4.219 1.00 1.00 H new HETATM 0 H1L RCY A 173 70.995 -9.767 4.279 1.00 1.00 H new HETATM 0 H1C RCY A 173 76.210 -7.753 2.890 1.00 1.00 H new HETATM 1442 C1C RCY A 176 74.990 -3.306 2.571 1.00 1.00 C HETATM 1443 O1G RCY A 176 73.566 -2.389 5.427 1.00 1.00 O HETATM 1444 O1H RCY A 176 76.277 -6.204 6.056 1.00 1.00 O HETATM 1445 O1J RCY A 176 74.180 -0.618 3.660 1.00 1.00 O HETATM 1446 C1L RCY A 176 73.199 -4.540 6.533 1.00 1.00 C HETATM 1447 C1M RCY A 176 77.117 -2.329 5.436 1.00 1.00 C HETATM 1448 C1P RCY A 176 73.989 -3.506 5.721 1.00 1.00 C HETATM 1449 C1Q RCY A 176 75.315 -5.470 5.835 1.00 1.00 C HETATM 1450 N1R RCY A 176 75.365 -4.036 5.323 1.00 1.00 N HETATM 1451 C1S RCY A 176 73.852 -5.829 6.022 1.00 1.00 C HETATM 1452 C1U RCY A 176 76.507 -3.320 4.598 1.00 1.00 C HETATM 1453 C1V RCY A 176 77.203 -2.071 2.508 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.385 -1.336 4.066 1.00 1.00 N HETATM 1455 C1W RCY A 176 76.277 -1.056 5.273 1.00 1.00 C HETATM 1456 C1X RCY A 176 76.032 -2.531 3.379 1.00 1.00 C HETATM 1457 C1Y RCY A 176 77.178 0.153 5.005 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.398 -0.810 6.499 1.00 1.00 C HETATM 0 H1YB RCY A 176 77.864 0.288 5.841 1.00 1.00 H new HETATM 0 H1YA RCY A 176 77.748 -0.013 4.091 1.00 1.00 H new HETATM 0 H1VB RCY A 176 77.691 -2.940 2.066 1.00 1.00 H new HETATM 0 H1VA RCY A 176 76.833 -1.420 1.715 1.00 1.00 H new HETATM 0 H1MA RCY A 176 77.133 -2.655 6.476 1.00 1.00 H new HETATM 0 H1LA RCY A 176 73.321 -4.408 7.608 1.00 1.00 H new HETATM 0 H1V RCY A 176 77.920 -1.525 3.121 1.00 1.00 H new HETATM 0 H1U RCY A 176 77.191 -4.121 4.316 1.00 1.00 H new HETATM 0 H1S RCY A 176 73.402 -6.157 5.085 1.00 1.00 H new HETATM 0 H1L RCY A 176 72.129 -4.504 6.327 1.00 1.00 H new HETATM 1461 C1C RCY A 187 77.200 -0.219 8.054 1.00 1.00 C HETATM 1462 O1G RCY A 187 73.245 2.485 8.722 1.00 1.00 O HETATM 1463 O1H RCY A 187 75.001 -1.542 6.988 1.00 1.00 O HETATM 1464 O1J RCY A 187 76.981 -1.451 5.315 1.00 1.00 O HETATM 1465 C1L RCY A 187 72.470 0.164 8.765 1.00 1.00 C HETATM 1466 C1M RCY A 187 75.560 2.092 5.674 1.00 1.00 C HETATM 1467 C1P RCY A 187 73.410 1.314 8.382 1.00 1.00 C HETATM 1468 C1Q RCY A 187 74.229 -0.644 7.320 1.00 1.00 C HETATM 1469 N1R RCY A 187 74.577 0.825 7.525 1.00 1.00 N HETATM 1470 C1S RCY A 187 72.745 -0.797 7.603 1.00 1.00 C HETATM 1471 C1U RCY A 187 75.788 1.601 7.003 1.00 1.00 C HETATM 1472 C1V RCY A 187 78.292 1.571 6.628 1.00 1.00 C HETATM 1473 N1V RCY A 187 76.681 -0.053 5.609 1.00 1.00 N HETATM 1474 C1W RCY A 187 75.941 0.949 4.725 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.036 0.730 6.865 1.00 1.00 C HETATM 1476 C1Y RCY A 187 76.858 1.458 3.610 1.00 1.00 C HETATM 1477 C1Z RCY A 187 74.700 0.277 4.138 1.00 1.00 C HETATM 0 H1ZA RCY A 187 74.118 1.011 3.580 1.00 1.00 H new HETATM 0 H1YB RCY A 187 76.344 2.233 3.041 1.00 1.00 H new HETATM 0 H1YA RCY A 187 77.767 1.872 4.047 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.502 2.169 7.515 1.00 1.00 H new HETATM 0 H1VA RCY A 187 79.137 0.913 6.425 1.00 1.00 H new HETATM 0 H1MA RCY A 187 74.517 2.379 5.539 1.00 1.00 H new HETATM 0 H1LA RCY A 187 72.716 -0.271 9.734 1.00 1.00 H new HETATM 0 H1CB RCY A 187 77.287 0.361 8.973 1.00 1.00 H new HETATM 0 H1CA RCY A 187 76.331 -0.874 8.119 1.00 1.00 H new HETATM 0 H1Y RCY A 187 77.117 0.633 2.947 1.00 1.00 H new HETATM 0 H1V RCY A 187 78.133 2.231 5.775 1.00 1.00 H new HETATM 0 H1U RCY A 187 75.933 2.397 7.734 1.00 1.00 H new HETATM 0 H1S RCY A 187 72.147 -0.542 6.728 1.00 1.00 H new HETATM 0 H1M RCY A 187 76.163 2.979 5.478 1.00 1.00 H new HETATM 0 H1L RCY A 187 71.426 0.476 8.811 1.00 1.00 H new HETATM 0 H1C RCY A 187 78.099 -0.821 7.918 1.00 1.00 H new