USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 73 CYS H : A 73 CYS N : A 173 RCY C1S :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YB : A 110 RCY C1Y : A 12 SER O :(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 12 SER C :(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 RCYH1LA : A 138 RCY C1L : A 150 RCY N1V :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CA : A 138 RCY C1C : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCY H1L : A 138 RCY C1L : A 150 RCY N1V :(H bumps) USER MOD NoAdj-H: A 138 RCY H1C : A 138 RCY C1C : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VB : A 160 RCY C1V : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1V : A 160 RCY C1V : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 160 RCY C1V :(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 RCYH1CB : A 168 RCY C1C : A 160 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 160 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 67 ILE CG2 :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 67 ILE CG2 :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 68 CYS O :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 67 ILE CG2 :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 67 ILE CB :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 69 PRO CD :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 173 RCY C1C :(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 RCY H1Z : A 176 RCY C1Z : A 69 PRO CD :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 138 RCY C1C :(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 H1Y : A 187 RCY C1Y : A 138 RCY C1C :(H bumps) USER MOD Single : A 1 MET CE :methyl -117:sc=-0.000811 (180deg=-0.116) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.37) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.184 (180deg=-1.02) USER MOD Single : A 12 SER OG : rot 180:sc= -0.455 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -1.41 (180deg=-2.05) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -110:sc= -1.76 (180deg=-4.74!) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.48 F(o=-5.2!,f=-1.5) USER MOD Single : A 34 GLN : amide:sc= -0.0802 K(o=-0.08,f=-2!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.037 USER MOD Single : A 37 GLN : amide:sc= -1.82 X(o=-1.8,f=-1.5) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -140:sc= -0.206 USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.123) USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= -2.18! (180deg=-3.64!) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= -0.0473 (180deg=-0.325) USER MOD Single : A 48 GLN :FLIP amide:sc= -3.97 F(o=-10!,f=-4) USER MOD Single : A 57 MET CE :methyl -155:sc= 0 (180deg=-1.13) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 65 THR OG1 : rot -68:sc= -8.28! USER MOD Single : A 74 ASN :FLIP amide:sc= -1.06 F(o=-5.4!,f=-1.1) USER MOD Single : A 75 HIS : no HD1:sc= -0.6 K(o=-0.6,f=-1.7) USER MOD Single : A 79 HIS : no HD1:sc= -3.37! C(o=-3.4!,f=-3.5!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 65.008 13.735 24.657 1.00 1.00 N ATOM 2 CA MET A 1 66.151 12.828 24.960 1.00 1.00 C ATOM 3 C MET A 1 66.705 12.254 23.654 1.00 1.00 C ATOM 4 O MET A 1 67.885 12.343 23.378 1.00 1.00 O ATOM 5 CB MET A 1 65.670 11.685 25.857 1.00 1.00 C ATOM 6 CG MET A 1 66.878 10.981 26.479 1.00 1.00 C ATOM 7 SD MET A 1 66.338 9.448 27.275 1.00 1.00 S ATOM 8 CE MET A 1 65.665 10.198 28.778 1.00 1.00 C ATOM 0 H1 MET A 1 64.630 14.126 25.544 1.00 1.00 H new ATOM 0 H2 MET A 1 65.334 14.512 24.047 1.00 1.00 H new ATOM 0 H3 MET A 1 64.261 13.201 24.168 1.00 1.00 H new ATOM 0 HA MET A 1 66.934 13.387 25.472 1.00 1.00 H new ATOM 0 HB2 MET A 1 65.019 12.073 26.640 1.00 1.00 H new ATOM 0 HB3 MET A 1 65.082 10.975 25.276 1.00 1.00 H new ATOM 0 HG2 MET A 1 67.620 10.763 25.711 1.00 1.00 H new ATOM 0 HG3 MET A 1 67.357 11.634 27.209 1.00 1.00 H new ATOM 0 HE1 MET A 1 66.229 9.848 29.643 1.00 1.00 H new ATOM 0 HE2 MET A 1 65.742 11.283 28.709 1.00 1.00 H new ATOM 0 HE3 MET A 1 64.618 9.915 28.889 1.00 1.00 H new ATOM 17 N ASN A 2 65.864 11.666 22.849 1.00 1.00 N ATOM 18 CA ASN A 2 66.344 11.089 21.562 1.00 1.00 C ATOM 19 C ASN A 2 65.143 10.781 20.663 1.00 1.00 C ATOM 20 O ASN A 2 64.005 10.891 21.073 1.00 1.00 O ATOM 21 CB ASN A 2 67.124 9.799 21.843 1.00 1.00 C ATOM 22 CG ASN A 2 68.123 9.550 20.712 1.00 1.00 C ATOM 23 OD1 ASN A 2 67.930 8.668 19.898 1.00 1.00 O ATOM 24 ND2 ASN A 2 69.191 10.295 20.625 1.00 1.00 N ATOM 0 H ASN A 2 64.865 11.560 23.027 1.00 1.00 H new ATOM 0 HA ASN A 2 66.996 11.804 21.060 1.00 1.00 H new ATOM 0 HB2 ASN A 2 67.649 9.879 22.795 1.00 1.00 H new ATOM 0 HB3 ASN A 2 66.437 8.957 21.927 1.00 1.00 H new ATOM 0 HD21 ASN A 2 69.863 10.137 19.874 1.00 1.00 H new ATOM 0 HD22 ASN A 2 69.353 11.035 21.308 1.00 1.00 H new ATOM 31 N LEU A 3 65.388 10.397 19.439 1.00 1.00 N ATOM 32 CA LEU A 3 64.260 10.085 18.516 1.00 1.00 C ATOM 33 C LEU A 3 63.846 8.623 18.698 1.00 1.00 C ATOM 34 O LEU A 3 64.474 7.877 19.423 1.00 1.00 O ATOM 35 CB LEU A 3 64.699 10.309 17.063 1.00 1.00 C ATOM 36 CG LEU A 3 65.358 11.683 16.928 1.00 1.00 C ATOM 37 CD1 LEU A 3 64.489 12.737 17.616 1.00 1.00 C ATOM 38 CD2 LEU A 3 66.738 11.652 17.588 1.00 1.00 C ATOM 0 H LEU A 3 66.320 10.286 19.039 1.00 1.00 H new ATOM 0 HA LEU A 3 63.418 10.739 18.744 1.00 1.00 H new ATOM 0 HB2 LEU A 3 65.397 9.529 16.760 1.00 1.00 H new ATOM 0 HB3 LEU A 3 63.838 10.241 16.398 1.00 1.00 H new ATOM 0 HG LEU A 3 65.464 11.933 15.872 1.00 1.00 H new ATOM 0 HD11 LEU A 3 64.959 13.716 17.519 1.00 1.00 H new ATOM 0 HD12 LEU A 3 63.505 12.759 17.148 1.00 1.00 H new ATOM 0 HD13 LEU A 3 64.383 12.488 18.672 1.00 1.00 H new ATOM 0 HD21 LEU A 3 67.209 12.630 17.493 1.00 1.00 H new ATOM 0 HD22 LEU A 3 66.631 11.402 18.644 1.00 1.00 H new ATOM 0 HD23 LEU A 3 67.359 10.901 17.099 1.00 1.00 H new ATOM 50 N GLU A 4 62.792 8.209 18.043 1.00 1.00 N ATOM 51 CA GLU A 4 62.330 6.794 18.171 1.00 1.00 C ATOM 52 C GLU A 4 62.133 6.199 16.770 1.00 1.00 C ATOM 53 O GLU A 4 61.587 6.842 15.895 1.00 1.00 O ATOM 54 CB GLU A 4 60.998 6.764 18.925 1.00 1.00 C ATOM 55 CG GLU A 4 61.247 7.018 20.413 1.00 1.00 C ATOM 56 CD GLU A 4 61.830 5.758 21.056 1.00 1.00 C ATOM 57 OE1 GLU A 4 63.043 5.626 21.061 1.00 1.00 O ATOM 58 OE2 GLU A 4 61.053 4.946 21.531 1.00 1.00 O ATOM 0 H GLU A 4 62.230 8.792 17.423 1.00 1.00 H new ATOM 0 HA GLU A 4 63.073 6.212 18.716 1.00 1.00 H new ATOM 0 HB2 GLU A 4 60.324 7.521 18.524 1.00 1.00 H new ATOM 0 HB3 GLU A 4 60.511 5.798 18.787 1.00 1.00 H new ATOM 0 HG2 GLU A 4 61.934 7.855 20.540 1.00 1.00 H new ATOM 0 HG3 GLU A 4 60.315 7.293 20.907 1.00 1.00 H new ATOM 65 N PRO A 5 62.569 4.981 16.552 1.00 1.00 N ATOM 66 CA PRO A 5 62.427 4.308 15.231 1.00 1.00 C ATOM 67 C PRO A 5 61.055 4.571 14.590 1.00 1.00 C ATOM 68 O PRO A 5 60.055 4.658 15.276 1.00 1.00 O ATOM 69 CB PRO A 5 62.583 2.825 15.571 1.00 1.00 C ATOM 70 CG PRO A 5 63.460 2.795 16.780 1.00 1.00 C ATOM 71 CD PRO A 5 63.239 4.112 17.534 1.00 1.00 C ATOM 0 HA PRO A 5 63.155 4.671 14.506 1.00 1.00 H new ATOM 0 HB2 PRO A 5 61.617 2.363 15.773 1.00 1.00 H new ATOM 0 HB3 PRO A 5 63.032 2.276 14.744 1.00 1.00 H new ATOM 0 HG2 PRO A 5 63.213 1.943 17.413 1.00 1.00 H new ATOM 0 HG3 PRO A 5 64.506 2.687 16.494 1.00 1.00 H new ATOM 0 HD2 PRO A 5 62.623 3.965 18.421 1.00 1.00 H new ATOM 0 HD3 PRO A 5 64.183 4.543 17.869 1.00 1.00 H new ATOM 79 N PRO A 6 61.003 4.692 13.286 1.00 1.00 N ATOM 80 CA PRO A 6 59.727 4.943 12.554 1.00 1.00 C ATOM 81 C PRO A 6 58.856 3.684 12.467 1.00 1.00 C ATOM 82 O PRO A 6 59.353 2.576 12.447 1.00 1.00 O ATOM 83 CB PRO A 6 60.194 5.368 11.160 1.00 1.00 C ATOM 84 CG PRO A 6 61.515 4.696 10.977 1.00 1.00 C ATOM 85 CD PRO A 6 62.150 4.600 12.367 1.00 1.00 C ATOM 0 HA PRO A 6 59.107 5.688 13.053 1.00 1.00 H new ATOM 0 HB2 PRO A 6 59.483 5.058 10.394 1.00 1.00 H new ATOM 0 HB3 PRO A 6 60.288 6.452 11.088 1.00 1.00 H new ATOM 0 HG2 PRO A 6 61.389 3.706 10.539 1.00 1.00 H new ATOM 0 HG3 PRO A 6 62.150 5.266 10.299 1.00 1.00 H new ATOM 0 HD2 PRO A 6 62.691 3.662 12.495 1.00 1.00 H new ATOM 0 HD3 PRO A 6 62.864 5.406 12.537 1.00 1.00 H new ATOM 93 N LYS A 7 57.563 3.846 12.411 1.00 1.00 N ATOM 94 CA LYS A 7 56.670 2.656 12.321 1.00 1.00 C ATOM 95 C LYS A 7 56.921 1.939 10.993 1.00 1.00 C ATOM 96 O LYS A 7 56.888 2.539 9.937 1.00 1.00 O ATOM 97 CB LYS A 7 55.208 3.107 12.397 1.00 1.00 C ATOM 98 CG LYS A 7 55.031 4.404 11.605 1.00 1.00 C ATOM 99 CD LYS A 7 53.546 4.621 11.306 1.00 1.00 C ATOM 100 CE LYS A 7 52.778 4.779 12.619 1.00 1.00 C ATOM 101 NZ LYS A 7 53.489 5.752 13.496 1.00 1.00 N ATOM 0 H LYS A 7 57.087 4.748 12.424 1.00 1.00 H new ATOM 0 HA LYS A 7 56.878 1.976 13.147 1.00 1.00 H new ATOM 0 HB2 LYS A 7 54.556 2.331 11.995 1.00 1.00 H new ATOM 0 HB3 LYS A 7 54.918 3.261 13.436 1.00 1.00 H new ATOM 0 HG2 LYS A 7 55.425 5.246 12.173 1.00 1.00 H new ATOM 0 HG3 LYS A 7 55.597 4.355 10.675 1.00 1.00 H new ATOM 0 HD2 LYS A 7 53.415 5.508 10.687 1.00 1.00 H new ATOM 0 HD3 LYS A 7 53.151 3.777 10.741 1.00 1.00 H new ATOM 0 HE2 LYS A 7 51.764 5.126 12.420 1.00 1.00 H new ATOM 0 HE3 LYS A 7 52.693 3.815 13.121 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 52.831 6.118 14.214 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 54.286 5.277 13.967 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 53.847 6.541 12.921 1.00 1.00 H new ATOM 115 N ALA A 8 57.177 0.659 11.036 1.00 1.00 N ATOM 116 CA ALA A 8 57.436 -0.092 9.774 1.00 1.00 C ATOM 117 C ALA A 8 56.934 -1.531 9.922 1.00 1.00 C ATOM 118 O ALA A 8 56.014 -1.950 9.247 1.00 1.00 O ATOM 119 CB ALA A 8 58.943 -0.098 9.489 1.00 1.00 C ATOM 0 H ALA A 8 57.218 0.102 11.889 1.00 1.00 H new ATOM 0 HA ALA A 8 56.911 0.388 8.948 1.00 1.00 H new ATOM 0 HB1 ALA A 8 59.137 -0.646 8.567 1.00 1.00 H new ATOM 0 HB2 ALA A 8 59.297 0.927 9.383 1.00 1.00 H new ATOM 0 HB3 ALA A 8 59.467 -0.579 10.314 1.00 1.00 H new ATOM 125 N GLU A 9 57.533 -2.293 10.796 1.00 1.00 N ATOM 126 CA GLU A 9 57.091 -3.704 10.982 1.00 1.00 C ATOM 127 C GLU A 9 57.100 -4.419 9.627 1.00 1.00 C ATOM 128 O GLU A 9 58.136 -4.832 9.144 1.00 1.00 O ATOM 129 CB GLU A 9 55.677 -3.723 11.572 1.00 1.00 C ATOM 130 CG GLU A 9 55.273 -5.165 11.887 1.00 1.00 C ATOM 131 CD GLU A 9 56.151 -5.707 13.016 1.00 1.00 C ATOM 132 OE1 GLU A 9 56.166 -5.097 14.073 1.00 1.00 O ATOM 133 OE2 GLU A 9 56.794 -6.722 12.805 1.00 1.00 O ATOM 0 H GLU A 9 58.309 -1.999 11.389 1.00 1.00 H new ATOM 0 HA GLU A 9 57.769 -4.216 11.665 1.00 1.00 H new ATOM 0 HB2 GLU A 9 55.642 -3.118 12.478 1.00 1.00 H new ATOM 0 HB3 GLU A 9 54.972 -3.282 10.867 1.00 1.00 H new ATOM 0 HG2 GLU A 9 54.223 -5.204 12.178 1.00 1.00 H new ATOM 0 HG3 GLU A 9 55.381 -5.786 10.998 1.00 1.00 H new ATOM 140 N CYS A 10 55.956 -4.567 9.011 1.00 1.00 N ATOM 141 CA CYS A 10 55.896 -5.253 7.688 1.00 1.00 C ATOM 142 C CYS A 10 55.530 -4.237 6.604 1.00 1.00 C ATOM 143 O CYS A 10 54.398 -3.808 6.499 1.00 1.00 O ATOM 144 CB CYS A 10 54.835 -6.356 7.734 1.00 1.00 C ATOM 145 SG CYS A 10 55.528 -7.828 8.526 1.00 1.00 S ATOM 0 H CYS A 10 55.058 -4.241 9.369 1.00 1.00 H new ATOM 0 HA CYS A 10 56.867 -5.692 7.461 1.00 1.00 H new ATOM 0 HB2 CYS A 10 53.960 -6.011 8.285 1.00 1.00 H new ATOM 0 HB3 CYS A 10 54.501 -6.596 6.725 1.00 1.00 H new ATOM 150 N ARG A 11 56.479 -3.848 5.796 1.00 1.00 N ATOM 151 CA ARG A 11 56.181 -2.860 4.720 1.00 1.00 C ATOM 152 C ARG A 11 55.267 -3.504 3.676 1.00 1.00 C ATOM 153 O ARG A 11 54.390 -4.280 3.999 1.00 1.00 O ATOM 154 CB ARG A 11 57.488 -2.418 4.054 1.00 1.00 C ATOM 155 CG ARG A 11 58.564 -2.218 5.123 1.00 1.00 C ATOM 156 CD ARG A 11 58.036 -1.282 6.211 1.00 1.00 C ATOM 157 NE ARG A 11 57.219 -0.204 5.586 1.00 1.00 N ATOM 158 CZ ARG A 11 57.801 0.858 5.101 1.00 1.00 C ATOM 159 NH1 ARG A 11 59.099 0.977 5.164 1.00 1.00 N ATOM 160 NH2 ARG A 11 57.085 1.802 4.553 1.00 1.00 N ATOM 0 H ARG A 11 57.446 -4.171 5.834 1.00 1.00 H new ATOM 0 HA ARG A 11 55.684 -1.992 5.152 1.00 1.00 H new ATOM 0 HB2 ARG A 11 57.812 -3.168 3.332 1.00 1.00 H new ATOM 0 HB3 ARG A 11 57.332 -1.491 3.502 1.00 1.00 H new ATOM 0 HG2 ARG A 11 58.842 -3.178 5.558 1.00 1.00 H new ATOM 0 HG3 ARG A 11 59.464 -1.799 4.674 1.00 1.00 H new ATOM 0 HD2 ARG A 11 57.433 -1.842 6.926 1.00 1.00 H new ATOM 0 HD3 ARG A 11 58.867 -0.847 6.766 1.00 1.00 H new ATOM 0 HE ARG A 11 56.204 -0.296 5.537 1.00 1.00 H new ATOM 0 HH11 ARG A 11 59.659 0.240 5.592 1.00 1.00 H new ATOM 0 HH12 ARG A 11 59.554 1.807 4.785 1.00 1.00 H new ATOM 0 HH21 ARG A 11 56.070 1.709 4.504 1.00 1.00 H new ATOM 0 HH22 ARG A 11 57.540 2.632 4.174 1.00 1.00 H new ATOM 174 N SER A 12 55.467 -3.190 2.425 1.00 1.00 N ATOM 175 CA SER A 12 54.609 -3.786 1.362 1.00 1.00 C ATOM 176 C SER A 12 54.665 -5.312 1.460 1.00 1.00 C ATOM 177 O SER A 12 55.315 -5.865 2.324 1.00 1.00 O ATOM 178 CB SER A 12 55.118 -3.342 -0.010 1.00 1.00 C ATOM 179 OG SER A 12 54.112 -3.584 -0.984 1.00 1.00 O ATOM 0 H SER A 12 56.186 -2.547 2.093 1.00 1.00 H new ATOM 0 HA SER A 12 53.580 -3.452 1.493 1.00 1.00 H new ATOM 0 HB2 SER A 12 55.374 -2.283 0.010 1.00 1.00 H new ATOM 0 HB3 SER A 12 56.027 -3.885 -0.267 1.00 1.00 H new ATOM 0 HG SER A 12 54.434 -3.299 -1.865 1.00 1.00 H new ATOM 185 N ALA A 13 53.987 -5.997 0.578 1.00 1.00 N ATOM 186 CA ALA A 13 53.999 -7.488 0.616 1.00 1.00 C ATOM 187 C ALA A 13 53.987 -8.032 -0.813 1.00 1.00 C ATOM 188 O ALA A 13 53.005 -8.583 -1.269 1.00 1.00 O ATOM 189 CB ALA A 13 52.761 -7.989 1.362 1.00 1.00 C ATOM 0 H ALA A 13 53.425 -5.588 -0.168 1.00 1.00 H new ATOM 0 HA ALA A 13 54.897 -7.832 1.130 1.00 1.00 H new ATOM 0 HB1 ALA A 13 52.769 -9.079 1.390 1.00 1.00 H new ATOM 0 HB2 ALA A 13 52.767 -7.600 2.380 1.00 1.00 H new ATOM 0 HB3 ALA A 13 51.863 -7.646 0.848 1.00 1.00 H new ATOM 195 N THR A 14 55.071 -7.876 -1.524 1.00 1.00 N ATOM 196 CA THR A 14 55.127 -8.378 -2.926 1.00 1.00 C ATOM 197 C THR A 14 54.189 -7.542 -3.796 1.00 1.00 C ATOM 198 O THR A 14 53.273 -8.054 -4.409 1.00 1.00 O ATOM 199 CB THR A 14 54.701 -9.851 -2.967 1.00 1.00 C ATOM 200 OG1 THR A 14 55.146 -10.504 -1.787 1.00 1.00 O ATOM 201 CG2 THR A 14 55.318 -10.529 -4.192 1.00 1.00 C ATOM 0 H THR A 14 55.922 -7.421 -1.193 1.00 1.00 H new ATOM 0 HA THR A 14 56.146 -8.294 -3.304 1.00 1.00 H new ATOM 0 HB THR A 14 53.615 -9.914 -3.029 1.00 1.00 H new ATOM 0 HG1 THR A 14 54.873 -11.445 -1.811 1.00 1.00 H new ATOM 0 HG21 THR A 14 55.015 -11.576 -4.220 1.00 1.00 H new ATOM 0 HG22 THR A 14 54.975 -10.027 -5.097 1.00 1.00 H new ATOM 0 HG23 THR A 14 56.405 -10.468 -4.133 1.00 1.00 H new ATOM 209 N ARG A 15 54.411 -6.256 -3.849 1.00 1.00 N ATOM 210 CA ARG A 15 53.537 -5.373 -4.674 1.00 1.00 C ATOM 211 C ARG A 15 54.411 -4.532 -5.610 1.00 1.00 C ATOM 212 O ARG A 15 53.930 -3.662 -6.309 1.00 1.00 O ATOM 213 CB ARG A 15 52.730 -4.452 -3.744 1.00 1.00 C ATOM 214 CG ARG A 15 51.234 -4.644 -4.004 1.00 1.00 C ATOM 215 CD ARG A 15 50.777 -5.973 -3.400 1.00 1.00 C ATOM 216 NE ARG A 15 49.560 -6.450 -4.114 1.00 1.00 N ATOM 217 CZ ARG A 15 48.429 -5.815 -3.972 1.00 1.00 C ATOM 218 NH1 ARG A 15 48.364 -4.762 -3.204 1.00 1.00 N ATOM 219 NH2 ARG A 15 47.363 -6.233 -4.597 1.00 1.00 N ATOM 0 H ARG A 15 55.163 -5.777 -3.354 1.00 1.00 H new ATOM 0 HA ARG A 15 52.851 -5.977 -5.268 1.00 1.00 H new ATOM 0 HB2 ARG A 15 52.960 -4.677 -2.703 1.00 1.00 H new ATOM 0 HB3 ARG A 15 53.009 -3.412 -3.914 1.00 1.00 H new ATOM 0 HG2 ARG A 15 50.670 -3.820 -3.567 1.00 1.00 H new ATOM 0 HG3 ARG A 15 51.036 -4.632 -5.076 1.00 1.00 H new ATOM 0 HD2 ARG A 15 51.573 -6.714 -3.480 1.00 1.00 H new ATOM 0 HD3 ARG A 15 50.563 -5.848 -2.338 1.00 1.00 H new ATOM 0 HE ARG A 15 49.611 -7.273 -4.714 1.00 1.00 H new ATOM 0 HH11 ARG A 15 49.197 -4.435 -2.715 1.00 1.00 H new ATOM 0 HH12 ARG A 15 47.480 -4.266 -3.093 1.00 1.00 H new ATOM 0 HH21 ARG A 15 47.413 -7.056 -5.197 1.00 1.00 H new ATOM 0 HH22 ARG A 15 46.479 -5.736 -4.486 1.00 1.00 H new ATOM 233 N VAL A 16 55.691 -4.784 -5.627 1.00 1.00 N ATOM 234 CA VAL A 16 56.594 -3.999 -6.515 1.00 1.00 C ATOM 235 C VAL A 16 56.219 -4.253 -7.977 1.00 1.00 C ATOM 236 O VAL A 16 55.062 -4.213 -8.346 1.00 1.00 O ATOM 237 CB VAL A 16 58.044 -4.427 -6.272 1.00 1.00 C ATOM 238 CG1 VAL A 16 58.990 -3.326 -6.756 1.00 1.00 C ATOM 239 CG2 VAL A 16 58.261 -4.662 -4.776 1.00 1.00 C ATOM 0 H VAL A 16 56.151 -5.500 -5.064 1.00 1.00 H new ATOM 0 HA VAL A 16 56.489 -2.936 -6.296 1.00 1.00 H new ATOM 0 HB VAL A 16 58.247 -5.347 -6.819 1.00 1.00 H new ATOM 0 HG11 VAL A 16 60.022 -3.631 -6.583 1.00 1.00 H new ATOM 0 HG12 VAL A 16 58.836 -3.156 -7.822 1.00 1.00 H new ATOM 0 HG13 VAL A 16 58.787 -2.405 -6.209 1.00 1.00 H new ATOM 0 HG21 VAL A 16 59.293 -4.967 -4.601 1.00 1.00 H new ATOM 0 HG22 VAL A 16 58.057 -3.741 -4.230 1.00 1.00 H new ATOM 0 HG23 VAL A 16 57.588 -5.446 -4.429 1.00 1.00 H new ATOM 249 N MET A 17 57.186 -4.513 -8.813 1.00 1.00 N ATOM 250 CA MET A 17 56.881 -4.768 -10.249 1.00 1.00 C ATOM 251 C MET A 17 58.069 -5.476 -10.905 1.00 1.00 C ATOM 252 O MET A 17 58.108 -5.663 -12.105 1.00 1.00 O ATOM 253 CB MET A 17 56.621 -3.433 -10.956 1.00 1.00 C ATOM 254 CG MET A 17 55.790 -3.675 -12.218 1.00 1.00 C ATOM 255 SD MET A 17 54.061 -3.948 -11.758 1.00 1.00 S ATOM 256 CE MET A 17 53.316 -3.227 -13.241 1.00 1.00 C ATOM 0 H MET A 17 58.174 -4.560 -8.564 1.00 1.00 H new ATOM 0 HA MET A 17 55.997 -5.400 -10.330 1.00 1.00 H new ATOM 0 HB2 MET A 17 56.095 -2.752 -10.287 1.00 1.00 H new ATOM 0 HB3 MET A 17 57.567 -2.957 -11.216 1.00 1.00 H new ATOM 0 HG2 MET A 17 55.868 -2.819 -12.888 1.00 1.00 H new ATOM 0 HG3 MET A 17 56.174 -4.539 -12.759 1.00 1.00 H new ATOM 0 HE1 MET A 17 52.230 -3.290 -13.170 1.00 1.00 H new ATOM 0 HE2 MET A 17 53.614 -2.182 -13.327 1.00 1.00 H new ATOM 0 HE3 MET A 17 53.654 -3.774 -14.121 1.00 1.00 H new ATOM 266 N GLY A 18 59.040 -5.870 -10.128 1.00 1.00 N ATOM 267 CA GLY A 18 60.224 -6.564 -10.707 1.00 1.00 C ATOM 268 C GLY A 18 59.885 -8.034 -10.960 1.00 1.00 C ATOM 269 O GLY A 18 60.370 -8.917 -10.280 1.00 1.00 O ATOM 0 H GLY A 18 59.064 -5.741 -9.116 1.00 1.00 H new ATOM 0 HA2 GLY A 18 60.520 -6.083 -11.639 1.00 1.00 H new ATOM 0 HA3 GLY A 18 61.072 -6.488 -10.026 1.00 1.00 H new ATOM 273 N GLY A 19 59.060 -8.305 -11.934 1.00 1.00 N ATOM 274 CA GLY A 19 58.695 -9.720 -12.229 1.00 1.00 C ATOM 275 C GLY A 19 59.967 -10.518 -12.528 1.00 1.00 C ATOM 276 O GLY A 19 61.060 -10.095 -12.209 1.00 1.00 O ATOM 0 H GLY A 19 58.623 -7.609 -12.538 1.00 1.00 H new ATOM 0 HA2 GLY A 19 58.169 -10.157 -11.380 1.00 1.00 H new ATOM 0 HA3 GLY A 19 58.016 -9.763 -13.081 1.00 1.00 H new ATOM 280 N PRO A 20 59.825 -11.665 -13.138 1.00 1.00 N ATOM 281 CA PRO A 20 60.983 -12.538 -13.487 1.00 1.00 C ATOM 282 C PRO A 20 62.126 -11.748 -14.133 1.00 1.00 C ATOM 283 O PRO A 20 62.250 -11.686 -15.341 1.00 1.00 O ATOM 284 CB PRO A 20 60.387 -13.546 -14.473 1.00 1.00 C ATOM 285 CG PRO A 20 58.942 -13.634 -14.108 1.00 1.00 C ATOM 286 CD PRO A 20 58.546 -12.260 -13.561 1.00 1.00 C ATOM 0 HA PRO A 20 61.427 -13.006 -12.608 1.00 1.00 H new ATOM 0 HB2 PRO A 20 60.514 -13.213 -15.503 1.00 1.00 H new ATOM 0 HB3 PRO A 20 60.875 -14.517 -14.389 1.00 1.00 H new ATOM 0 HG2 PRO A 20 58.338 -13.894 -14.977 1.00 1.00 H new ATOM 0 HG3 PRO A 20 58.777 -14.411 -13.361 1.00 1.00 H new ATOM 0 HD2 PRO A 20 58.055 -11.653 -14.322 1.00 1.00 H new ATOM 0 HD3 PRO A 20 57.851 -12.348 -12.726 1.00 1.00 H new ATOM 294 N CYS A 21 62.959 -11.140 -13.335 1.00 1.00 N ATOM 295 CA CYS A 21 64.091 -10.350 -13.895 1.00 1.00 C ATOM 296 C CYS A 21 65.143 -11.300 -14.471 1.00 1.00 C ATOM 297 O CYS A 21 65.148 -12.482 -14.188 1.00 1.00 O ATOM 298 CB CYS A 21 64.724 -9.508 -12.786 1.00 1.00 C ATOM 299 SG CYS A 21 63.443 -8.529 -11.963 1.00 1.00 S ATOM 0 H CYS A 21 62.904 -11.156 -12.317 1.00 1.00 H new ATOM 0 HA CYS A 21 63.719 -9.696 -14.684 1.00 1.00 H new ATOM 0 HB2 CYS A 21 65.222 -10.155 -12.064 1.00 1.00 H new ATOM 0 HB3 CYS A 21 65.486 -8.851 -13.204 1.00 1.00 H new ATOM 304 N THR A 22 66.037 -10.789 -15.274 1.00 1.00 N ATOM 305 CA THR A 22 67.097 -11.653 -15.867 1.00 1.00 C ATOM 306 C THR A 22 68.407 -10.857 -15.941 1.00 1.00 C ATOM 307 O THR A 22 68.398 -9.671 -16.206 1.00 1.00 O ATOM 308 CB THR A 22 66.674 -12.079 -17.277 1.00 1.00 C ATOM 309 OG1 THR A 22 67.603 -13.028 -17.781 1.00 1.00 O ATOM 310 CG2 THR A 22 66.643 -10.855 -18.194 1.00 1.00 C ATOM 0 H THR A 22 66.079 -9.807 -15.545 1.00 1.00 H new ATOM 0 HA THR A 22 67.241 -12.540 -15.250 1.00 1.00 H new ATOM 0 HB THR A 22 65.681 -12.527 -17.240 1.00 1.00 H new ATOM 0 HG1 THR A 22 67.333 -13.303 -18.682 1.00 1.00 H new ATOM 0 HG21 THR A 22 66.342 -11.159 -19.197 1.00 1.00 H new ATOM 0 HG22 THR A 22 65.930 -10.128 -17.806 1.00 1.00 H new ATOM 0 HG23 THR A 22 67.635 -10.405 -18.234 1.00 1.00 H new ATOM 318 N PRO A 23 69.527 -11.497 -15.708 1.00 1.00 N ATOM 319 CA PRO A 23 70.855 -10.828 -15.752 1.00 1.00 C ATOM 320 C PRO A 23 70.942 -9.787 -16.874 1.00 1.00 C ATOM 321 O PRO A 23 70.424 -9.982 -17.956 1.00 1.00 O ATOM 322 CB PRO A 23 71.819 -11.986 -16.007 1.00 1.00 C ATOM 323 CG PRO A 23 71.169 -13.177 -15.379 1.00 1.00 C ATOM 324 CD PRO A 23 69.656 -12.927 -15.383 1.00 1.00 C ATOM 0 HA PRO A 23 71.070 -10.273 -14.839 1.00 1.00 H new ATOM 0 HB2 PRO A 23 71.977 -12.140 -17.074 1.00 1.00 H new ATOM 0 HB3 PRO A 23 72.796 -11.791 -15.565 1.00 1.00 H new ATOM 0 HG2 PRO A 23 71.410 -14.083 -15.934 1.00 1.00 H new ATOM 0 HG3 PRO A 23 71.532 -13.321 -14.361 1.00 1.00 H new ATOM 0 HD2 PRO A 23 69.151 -13.550 -16.121 1.00 1.00 H new ATOM 0 HD3 PRO A 23 69.212 -13.157 -14.415 1.00 1.00 H new ATOM 332 N ARG A 24 71.591 -8.681 -16.625 1.00 1.00 N ATOM 333 CA ARG A 24 71.705 -7.632 -17.678 1.00 1.00 C ATOM 334 C ARG A 24 72.778 -6.615 -17.280 1.00 1.00 C ATOM 335 O ARG A 24 72.478 -5.508 -16.879 1.00 1.00 O ATOM 336 CB ARG A 24 70.360 -6.915 -17.830 1.00 1.00 C ATOM 337 CG ARG A 24 69.801 -6.575 -16.447 1.00 1.00 C ATOM 338 CD ARG A 24 68.935 -5.317 -16.541 1.00 1.00 C ATOM 339 NE ARG A 24 68.118 -5.368 -17.785 1.00 1.00 N ATOM 340 CZ ARG A 24 67.352 -4.361 -18.105 1.00 1.00 C ATOM 341 NH1 ARG A 24 67.303 -3.309 -17.334 1.00 1.00 N ATOM 342 NH2 ARG A 24 66.636 -4.406 -19.195 1.00 1.00 N ATOM 0 H ARG A 24 72.046 -8.459 -15.740 1.00 1.00 H new ATOM 0 HA ARG A 24 71.982 -8.099 -18.623 1.00 1.00 H new ATOM 0 HB2 ARG A 24 70.486 -6.005 -18.416 1.00 1.00 H new ATOM 0 HB3 ARG A 24 69.658 -7.549 -18.372 1.00 1.00 H new ATOM 0 HG2 ARG A 24 69.210 -7.408 -16.067 1.00 1.00 H new ATOM 0 HG3 ARG A 24 70.617 -6.416 -15.742 1.00 1.00 H new ATOM 0 HD2 ARG A 24 68.285 -5.244 -15.669 1.00 1.00 H new ATOM 0 HD3 ARG A 24 69.566 -4.428 -16.544 1.00 1.00 H new ATOM 0 HE ARG A 24 68.157 -6.190 -18.387 1.00 1.00 H new ATOM 0 HH11 ARG A 24 67.863 -3.274 -16.482 1.00 1.00 H new ATOM 0 HH12 ARG A 24 66.705 -2.521 -17.583 1.00 1.00 H new ATOM 0 HH21 ARG A 24 66.675 -5.228 -19.797 1.00 1.00 H new ATOM 0 HH22 ARG A 24 66.037 -3.619 -19.445 1.00 1.00 H new ATOM 356 N LYS A 25 74.027 -6.977 -17.393 1.00 1.00 N ATOM 357 CA LYS A 25 75.116 -6.026 -17.025 1.00 1.00 C ATOM 358 C LYS A 25 75.426 -5.138 -18.230 1.00 1.00 C ATOM 359 O LYS A 25 76.499 -4.582 -18.351 1.00 1.00 O ATOM 360 CB LYS A 25 76.369 -6.813 -16.626 1.00 1.00 C ATOM 361 CG LYS A 25 75.956 -8.118 -15.942 1.00 1.00 C ATOM 362 CD LYS A 25 75.040 -7.805 -14.757 1.00 1.00 C ATOM 363 CE LYS A 25 75.787 -6.928 -13.751 1.00 1.00 C ATOM 364 NZ LYS A 25 77.216 -7.348 -13.690 1.00 1.00 N ATOM 0 H LYS A 25 74.341 -7.889 -17.724 1.00 1.00 H new ATOM 0 HA LYS A 25 74.801 -5.408 -16.185 1.00 1.00 H new ATOM 0 HB2 LYS A 25 76.973 -7.027 -17.508 1.00 1.00 H new ATOM 0 HB3 LYS A 25 76.987 -6.217 -15.954 1.00 1.00 H new ATOM 0 HG2 LYS A 25 75.442 -8.766 -16.652 1.00 1.00 H new ATOM 0 HG3 LYS A 25 76.839 -8.657 -15.600 1.00 1.00 H new ATOM 0 HD2 LYS A 25 74.141 -7.294 -15.103 1.00 1.00 H new ATOM 0 HD3 LYS A 25 74.717 -8.730 -14.279 1.00 1.00 H new ATOM 0 HE2 LYS A 25 75.717 -5.880 -14.043 1.00 1.00 H new ATOM 0 HE3 LYS A 25 75.329 -7.015 -12.766 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 77.644 -6.996 -12.810 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 77.274 -8.386 -13.713 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 77.728 -6.955 -14.505 1.00 1.00 H new ATOM 378 N GLY A 26 74.486 -5.007 -19.122 1.00 1.00 N ATOM 379 CA GLY A 26 74.707 -4.163 -20.330 1.00 1.00 C ATOM 380 C GLY A 26 75.207 -2.777 -19.913 1.00 1.00 C ATOM 381 O GLY A 26 76.306 -2.381 -20.245 1.00 1.00 O ATOM 0 H GLY A 26 73.569 -5.450 -19.067 1.00 1.00 H new ATOM 0 HA2 GLY A 26 75.434 -4.638 -20.989 1.00 1.00 H new ATOM 0 HA3 GLY A 26 73.779 -4.070 -20.894 1.00 1.00 H new ATOM 385 N PRO A 27 74.398 -2.045 -19.195 1.00 1.00 N ATOM 386 CA PRO A 27 74.752 -0.676 -18.727 1.00 1.00 C ATOM 387 C PRO A 27 76.196 -0.595 -18.204 1.00 1.00 C ATOM 388 O PRO A 27 76.639 -1.459 -17.473 1.00 1.00 O ATOM 389 CB PRO A 27 73.753 -0.420 -17.597 1.00 1.00 C ATOM 390 CG PRO A 27 72.554 -1.241 -17.941 1.00 1.00 C ATOM 391 CD PRO A 27 73.053 -2.444 -18.748 1.00 1.00 C ATOM 0 HA PRO A 27 74.701 0.059 -19.531 1.00 1.00 H new ATOM 0 HB2 PRO A 27 74.167 -0.712 -16.632 1.00 1.00 H new ATOM 0 HB3 PRO A 27 73.499 0.638 -17.528 1.00 1.00 H new ATOM 0 HG2 PRO A 27 72.039 -1.569 -17.038 1.00 1.00 H new ATOM 0 HG3 PRO A 27 71.840 -0.657 -18.521 1.00 1.00 H new ATOM 0 HD2 PRO A 27 73.087 -3.347 -18.138 1.00 1.00 H new ATOM 0 HD3 PRO A 27 72.399 -2.656 -19.594 1.00 1.00 H new ATOM 399 N PRO A 28 76.927 0.432 -18.571 1.00 1.00 N ATOM 400 CA PRO A 28 78.336 0.611 -18.124 1.00 1.00 C ATOM 401 C PRO A 28 78.530 0.249 -16.648 1.00 1.00 C ATOM 402 O PRO A 28 77.770 0.659 -15.793 1.00 1.00 O ATOM 403 CB PRO A 28 78.591 2.102 -18.348 1.00 1.00 C ATOM 404 CG PRO A 28 77.696 2.483 -19.482 1.00 1.00 C ATOM 405 CD PRO A 28 76.492 1.533 -19.446 1.00 1.00 C ATOM 0 HA PRO A 28 79.022 -0.039 -18.667 1.00 1.00 H new ATOM 0 HB2 PRO A 28 78.361 2.680 -17.453 1.00 1.00 H new ATOM 0 HB3 PRO A 28 79.637 2.291 -18.590 1.00 1.00 H new ATOM 0 HG2 PRO A 28 77.372 3.519 -19.385 1.00 1.00 H new ATOM 0 HG3 PRO A 28 78.223 2.401 -20.433 1.00 1.00 H new ATOM 0 HD2 PRO A 28 75.605 2.029 -19.051 1.00 1.00 H new ATOM 0 HD3 PRO A 28 76.239 1.173 -20.443 1.00 1.00 H new ATOM 413 N LYS A 29 79.546 -0.511 -16.342 1.00 1.00 N ATOM 414 CA LYS A 29 79.788 -0.890 -14.922 1.00 1.00 C ATOM 415 C LYS A 29 80.413 0.296 -14.187 1.00 1.00 C ATOM 416 O LYS A 29 81.188 0.131 -13.267 1.00 1.00 O ATOM 417 CB LYS A 29 80.743 -2.085 -14.865 1.00 1.00 C ATOM 418 CG LYS A 29 82.106 -1.678 -15.429 1.00 1.00 C ATOM 419 CD LYS A 29 82.906 -2.931 -15.787 1.00 1.00 C ATOM 420 CE LYS A 29 83.003 -3.843 -14.562 1.00 1.00 C ATOM 421 NZ LYS A 29 84.101 -4.831 -14.764 1.00 1.00 N ATOM 0 H LYS A 29 80.217 -0.885 -17.013 1.00 1.00 H new ATOM 0 HA LYS A 29 78.844 -1.161 -14.450 1.00 1.00 H new ATOM 0 HB2 LYS A 29 80.851 -2.428 -13.836 1.00 1.00 H new ATOM 0 HB3 LYS A 29 80.335 -2.918 -15.438 1.00 1.00 H new ATOM 0 HG2 LYS A 29 81.974 -1.054 -16.313 1.00 1.00 H new ATOM 0 HG3 LYS A 29 82.651 -1.083 -14.697 1.00 1.00 H new ATOM 0 HD2 LYS A 29 82.425 -3.460 -16.610 1.00 1.00 H new ATOM 0 HD3 LYS A 29 83.904 -2.653 -16.127 1.00 1.00 H new ATOM 0 HE2 LYS A 29 83.193 -3.250 -13.668 1.00 1.00 H new ATOM 0 HE3 LYS A 29 82.057 -4.361 -14.405 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 84.167 -5.451 -13.932 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 83.901 -5.405 -15.608 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 85.002 -4.327 -14.893 1.00 1.00 H new ATOM 435 N CYS A 30 80.084 1.493 -14.591 1.00 1.00 N ATOM 436 CA CYS A 30 80.659 2.692 -13.919 1.00 1.00 C ATOM 437 C CYS A 30 82.183 2.661 -14.034 1.00 1.00 C ATOM 438 O CYS A 30 82.889 2.623 -13.046 1.00 1.00 O ATOM 439 CB CYS A 30 80.258 2.692 -12.442 1.00 1.00 C ATOM 440 SG CYS A 30 80.525 4.341 -11.744 1.00 1.00 S ATOM 0 H CYS A 30 79.441 1.692 -15.358 1.00 1.00 H new ATOM 0 HA CYS A 30 80.278 3.594 -14.398 1.00 1.00 H new ATOM 0 HB2 CYS A 30 79.211 2.407 -12.338 1.00 1.00 H new ATOM 0 HB3 CYS A 30 80.845 1.954 -11.895 1.00 1.00 H new ATOM 445 N LYS A 31 82.699 2.681 -15.234 1.00 1.00 N ATOM 446 CA LYS A 31 84.178 2.659 -15.408 1.00 1.00 C ATOM 447 C LYS A 31 84.808 3.706 -14.487 1.00 1.00 C ATOM 448 O LYS A 31 84.444 4.865 -14.511 1.00 1.00 O ATOM 449 CB LYS A 31 84.524 2.984 -16.863 1.00 1.00 C ATOM 450 CG LYS A 31 83.602 2.198 -17.797 1.00 1.00 C ATOM 451 CD LYS A 31 84.134 2.279 -19.229 1.00 1.00 C ATOM 452 CE LYS A 31 83.879 3.680 -19.790 1.00 1.00 C ATOM 453 NZ LYS A 31 84.922 4.616 -19.283 1.00 1.00 N ATOM 0 H LYS A 31 82.160 2.712 -16.099 1.00 1.00 H new ATOM 0 HA LYS A 31 84.563 1.671 -15.157 1.00 1.00 H new ATOM 0 HB2 LYS A 31 84.415 4.053 -17.043 1.00 1.00 H new ATOM 0 HB3 LYS A 31 85.565 2.731 -17.065 1.00 1.00 H new ATOM 0 HG2 LYS A 31 83.545 1.157 -17.478 1.00 1.00 H new ATOM 0 HG3 LYS A 31 82.590 2.601 -17.750 1.00 1.00 H new ATOM 0 HD2 LYS A 31 85.201 2.058 -19.245 1.00 1.00 H new ATOM 0 HD3 LYS A 31 83.644 1.531 -19.853 1.00 1.00 H new ATOM 0 HE2 LYS A 31 83.896 3.656 -20.880 1.00 1.00 H new ATOM 0 HE3 LYS A 31 82.889 4.027 -19.494 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 84.493 5.280 -18.607 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 85.673 4.075 -18.808 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 85.329 5.147 -20.079 1.00 1.00 H new ATOM 467 N GLN A 32 85.747 3.309 -13.672 1.00 1.00 N ATOM 468 CA GLN A 32 86.394 4.284 -12.748 1.00 1.00 C ATOM 469 C GLN A 32 87.445 3.560 -11.904 1.00 1.00 C ATOM 470 O GLN A 32 88.421 4.144 -11.474 1.00 1.00 O ATOM 471 CB GLN A 32 85.327 4.911 -11.833 1.00 1.00 C ATOM 472 CG GLN A 32 85.340 6.432 -11.999 1.00 1.00 C ATOM 473 CD GLN A 32 86.660 6.993 -11.467 1.00 1.00 C ATOM 474 OE1 GLN A 32 87.416 6.244 -10.712 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 87.007 8.125 -11.741 1.00 1.00 N flip ATOM 0 H GLN A 32 86.094 2.352 -13.606 1.00 1.00 H new ATOM 0 HA GLN A 32 86.877 5.073 -13.325 1.00 1.00 H new ATOM 0 HB2 GLN A 32 84.342 4.516 -12.082 1.00 1.00 H new ATOM 0 HB3 GLN A 32 85.523 4.647 -10.794 1.00 1.00 H new ATOM 0 HG2 GLN A 32 85.218 6.695 -13.050 1.00 1.00 H new ATOM 0 HG3 GLN A 32 84.502 6.874 -11.461 1.00 1.00 H new ATOM 0 HE21 GLN A 32 86.416 8.711 -12.331 1.00 1.00 H new ATOM 0 HE22 GLN A 32 87.889 8.489 -11.381 1.00 1.00 H new ATOM 484 N ARG A 33 87.252 2.291 -11.668 1.00 1.00 N ATOM 485 CA ARG A 33 88.237 1.513 -10.856 1.00 1.00 C ATOM 486 C ARG A 33 88.722 0.315 -11.677 1.00 1.00 C ATOM 487 O ARG A 33 87.944 -0.369 -12.311 1.00 1.00 O ATOM 488 CB ARG A 33 87.576 1.012 -9.558 1.00 1.00 C ATOM 489 CG ARG A 33 86.369 1.890 -9.221 1.00 1.00 C ATOM 490 CD ARG A 33 85.108 1.285 -9.842 1.00 1.00 C ATOM 491 NE ARG A 33 85.478 0.504 -11.056 1.00 1.00 N ATOM 492 CZ ARG A 33 84.705 -0.462 -11.470 1.00 1.00 C ATOM 493 NH1 ARG A 33 83.608 -0.744 -10.821 1.00 1.00 N ATOM 494 NH2 ARG A 33 85.028 -1.146 -12.533 1.00 1.00 N ATOM 0 H ARG A 33 86.451 1.755 -12.003 1.00 1.00 H new ATOM 0 HA ARG A 33 89.079 2.154 -10.597 1.00 1.00 H new ATOM 0 HB2 ARG A 33 87.262 -0.025 -9.675 1.00 1.00 H new ATOM 0 HB3 ARG A 33 88.295 1.036 -8.739 1.00 1.00 H new ATOM 0 HG2 ARG A 33 86.253 1.968 -8.140 1.00 1.00 H new ATOM 0 HG3 ARG A 33 86.524 2.901 -9.599 1.00 1.00 H new ATOM 0 HD2 ARG A 33 84.608 0.640 -9.120 1.00 1.00 H new ATOM 0 HD3 ARG A 33 84.404 2.075 -10.105 1.00 1.00 H new ATOM 0 HE ARG A 33 86.335 0.725 -11.563 1.00 1.00 H new ATOM 0 HH11 ARG A 33 83.355 -0.209 -9.990 1.00 1.00 H new ATOM 0 HH12 ARG A 33 83.004 -1.499 -11.145 1.00 1.00 H new ATOM 0 HH21 ARG A 33 85.885 -0.926 -13.040 1.00 1.00 H new ATOM 0 HH22 ARG A 33 84.424 -1.901 -12.857 1.00 1.00 H new ATOM 508 N GLN A 34 90.000 0.053 -11.670 1.00 1.00 N ATOM 509 CA GLN A 34 90.524 -1.103 -12.451 1.00 1.00 C ATOM 510 C GLN A 34 89.699 -2.347 -12.123 1.00 1.00 C ATOM 511 O GLN A 34 88.961 -2.851 -12.946 1.00 1.00 O ATOM 512 CB GLN A 34 91.990 -1.349 -12.086 1.00 1.00 C ATOM 513 CG GLN A 34 92.715 -0.009 -11.948 1.00 1.00 C ATOM 514 CD GLN A 34 94.227 -0.242 -11.954 1.00 1.00 C ATOM 515 OE1 GLN A 34 94.700 -1.217 -12.504 1.00 1.00 O ATOM 516 NE2 GLN A 34 95.010 0.617 -11.361 1.00 1.00 N ATOM 0 H GLN A 34 90.702 0.588 -11.159 1.00 1.00 H new ATOM 0 HA GLN A 34 90.452 -0.886 -13.517 1.00 1.00 H new ATOM 0 HB2 GLN A 34 92.054 -1.907 -11.152 1.00 1.00 H new ATOM 0 HB3 GLN A 34 92.470 -1.956 -12.854 1.00 1.00 H new ATOM 0 HG2 GLN A 34 92.435 0.653 -12.767 1.00 1.00 H new ATOM 0 HG3 GLN A 34 92.416 0.484 -11.023 1.00 1.00 H new ATOM 0 HE21 GLN A 34 94.613 1.435 -10.899 1.00 1.00 H new ATOM 0 HE22 GLN A 34 96.019 0.470 -11.359 1.00 1.00 H new ATOM 525 N THR A 35 89.818 -2.839 -10.922 1.00 1.00 N ATOM 526 CA THR A 35 89.042 -4.050 -10.518 1.00 1.00 C ATOM 527 C THR A 35 88.252 -3.737 -9.245 1.00 1.00 C ATOM 528 O THR A 35 87.042 -3.834 -9.216 1.00 1.00 O ATOM 529 CB THR A 35 90.005 -5.210 -10.250 1.00 1.00 C ATOM 530 OG1 THR A 35 91.078 -4.754 -9.439 1.00 1.00 O ATOM 531 CG2 THR A 35 90.553 -5.738 -11.577 1.00 1.00 C ATOM 0 H THR A 35 90.423 -2.454 -10.197 1.00 1.00 H new ATOM 0 HA THR A 35 88.356 -4.330 -11.317 1.00 1.00 H new ATOM 0 HB THR A 35 89.475 -6.011 -9.735 1.00 1.00 H new ATOM 0 HG1 THR A 35 91.695 -5.496 -9.265 1.00 1.00 H new ATOM 0 HG21 THR A 35 91.238 -6.564 -11.385 1.00 1.00 H new ATOM 0 HG22 THR A 35 89.728 -6.088 -12.198 1.00 1.00 H new ATOM 0 HG23 THR A 35 91.084 -4.939 -12.095 1.00 1.00 H new ATOM 539 N ARG A 36 88.928 -3.359 -8.194 1.00 1.00 N ATOM 540 CA ARG A 36 88.216 -3.034 -6.924 1.00 1.00 C ATOM 541 C ARG A 36 89.237 -2.592 -5.869 1.00 1.00 C ATOM 542 O ARG A 36 88.969 -2.617 -4.684 1.00 1.00 O ATOM 543 CB ARG A 36 87.455 -4.276 -6.428 1.00 1.00 C ATOM 544 CG ARG A 36 85.982 -3.921 -6.213 1.00 1.00 C ATOM 545 CD ARG A 36 85.288 -5.056 -5.458 1.00 1.00 C ATOM 546 NE ARG A 36 84.889 -4.580 -4.104 1.00 1.00 N ATOM 547 CZ ARG A 36 85.717 -4.694 -3.102 1.00 1.00 C ATOM 548 NH1 ARG A 36 86.895 -5.224 -3.286 1.00 1.00 N ATOM 549 NH2 ARG A 36 85.367 -4.277 -1.916 1.00 1.00 N ATOM 0 H ARG A 36 89.943 -3.261 -8.160 1.00 1.00 H new ATOM 0 HA ARG A 36 87.505 -2.226 -7.098 1.00 1.00 H new ATOM 0 HB2 ARG A 36 87.543 -5.084 -7.155 1.00 1.00 H new ATOM 0 HB3 ARG A 36 87.893 -4.636 -5.497 1.00 1.00 H new ATOM 0 HG2 ARG A 36 85.900 -2.992 -5.650 1.00 1.00 H new ATOM 0 HG3 ARG A 36 85.493 -3.756 -7.173 1.00 1.00 H new ATOM 0 HD2 ARG A 36 84.410 -5.391 -6.011 1.00 1.00 H new ATOM 0 HD3 ARG A 36 85.957 -5.912 -5.372 1.00 1.00 H new ATOM 0 HE ARG A 36 83.968 -4.165 -3.960 1.00 1.00 H new ATOM 0 HH11 ARG A 36 87.169 -5.549 -4.213 1.00 1.00 H new ATOM 0 HH12 ARG A 36 87.542 -5.313 -2.503 1.00 1.00 H new ATOM 0 HH21 ARG A 36 84.446 -3.862 -1.772 1.00 1.00 H new ATOM 0 HH22 ARG A 36 86.014 -4.366 -1.133 1.00 1.00 H new ATOM 563 N GLN A 37 90.404 -2.188 -6.291 1.00 1.00 N ATOM 564 CA GLN A 37 91.437 -1.744 -5.313 1.00 1.00 C ATOM 565 C GLN A 37 90.867 -0.612 -4.458 1.00 1.00 C ATOM 566 O GLN A 37 90.055 0.170 -4.912 1.00 1.00 O ATOM 567 CB GLN A 37 92.673 -1.249 -6.072 1.00 1.00 C ATOM 568 CG GLN A 37 93.685 -0.669 -5.082 1.00 1.00 C ATOM 569 CD GLN A 37 94.010 -1.713 -4.012 1.00 1.00 C ATOM 570 OE1 GLN A 37 94.201 -1.379 -2.860 1.00 1.00 O ATOM 571 NE2 GLN A 37 94.081 -2.972 -4.347 1.00 1.00 N ATOM 0 H GLN A 37 90.687 -2.146 -7.270 1.00 1.00 H new ATOM 0 HA GLN A 37 91.719 -2.577 -4.669 1.00 1.00 H new ATOM 0 HB2 GLN A 37 93.124 -2.071 -6.629 1.00 1.00 H new ATOM 0 HB3 GLN A 37 92.386 -0.490 -6.800 1.00 1.00 H new ATOM 0 HG2 GLN A 37 94.594 -0.375 -5.606 1.00 1.00 H new ATOM 0 HG3 GLN A 37 93.280 0.230 -4.617 1.00 1.00 H new ATOM 0 HE21 GLN A 37 93.921 -3.252 -5.315 1.00 1.00 H new ATOM 0 HE22 GLN A 37 94.297 -3.676 -3.641 1.00 1.00 H new ATOM 580 N CYS A 38 91.282 -0.517 -3.222 1.00 1.00 N ATOM 581 CA CYS A 38 90.755 0.564 -2.341 1.00 1.00 C ATOM 582 C CYS A 38 91.489 0.530 -0.998 1.00 1.00 C ATOM 583 O CYS A 38 92.702 0.553 -0.943 1.00 1.00 O ATOM 584 CB CYS A 38 89.257 0.347 -2.110 1.00 1.00 C ATOM 585 SG CYS A 38 88.509 1.885 -1.517 1.00 1.00 S ATOM 0 H CYS A 38 91.962 -1.140 -2.786 1.00 1.00 H new ATOM 0 HA CYS A 38 90.913 1.532 -2.817 1.00 1.00 H new ATOM 0 HB2 CYS A 38 88.777 0.030 -3.036 1.00 1.00 H new ATOM 0 HB3 CYS A 38 89.102 -0.450 -1.382 1.00 1.00 H new ATOM 590 N LYS A 39 90.760 0.468 0.086 1.00 1.00 N ATOM 591 CA LYS A 39 91.405 0.425 1.428 1.00 1.00 C ATOM 592 C LYS A 39 92.296 1.656 1.613 1.00 1.00 C ATOM 593 O LYS A 39 93.253 1.856 0.893 1.00 1.00 O ATOM 594 CB LYS A 39 92.250 -0.847 1.538 1.00 1.00 C ATOM 595 CG LYS A 39 92.690 -1.048 2.990 1.00 1.00 C ATOM 596 CD LYS A 39 93.032 -2.522 3.220 1.00 1.00 C ATOM 597 CE LYS A 39 93.908 -3.028 2.073 1.00 1.00 C ATOM 598 NZ LYS A 39 94.722 -4.185 2.543 1.00 1.00 N ATOM 0 H LYS A 39 89.740 0.445 0.097 1.00 1.00 H new ATOM 0 HA LYS A 39 90.638 0.423 2.203 1.00 1.00 H new ATOM 0 HB2 LYS A 39 91.674 -1.708 1.199 1.00 1.00 H new ATOM 0 HB3 LYS A 39 93.123 -0.773 0.890 1.00 1.00 H new ATOM 0 HG2 LYS A 39 93.557 -0.424 3.208 1.00 1.00 H new ATOM 0 HG3 LYS A 39 91.895 -0.738 3.668 1.00 1.00 H new ATOM 0 HD2 LYS A 39 93.553 -2.641 4.170 1.00 1.00 H new ATOM 0 HD3 LYS A 39 92.118 -3.113 3.282 1.00 1.00 H new ATOM 0 HE2 LYS A 39 93.285 -3.326 1.230 1.00 1.00 H new ATOM 0 HE3 LYS A 39 94.561 -2.230 1.720 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 95.318 -4.530 1.763 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 95.326 -3.886 3.335 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 94.090 -4.948 2.859 1.00 1.00 H new ATOM 612 N SER A 40 91.988 2.486 2.576 1.00 1.00 N ATOM 613 CA SER A 40 92.817 3.705 2.804 1.00 1.00 C ATOM 614 C SER A 40 92.885 4.014 4.302 1.00 1.00 C ATOM 615 O SER A 40 93.625 3.394 5.039 1.00 1.00 O ATOM 616 CB SER A 40 92.194 4.890 2.066 1.00 1.00 C ATOM 617 OG SER A 40 90.843 5.042 2.479 1.00 1.00 O ATOM 0 H SER A 40 91.199 2.372 3.213 1.00 1.00 H new ATOM 0 HA SER A 40 93.825 3.530 2.428 1.00 1.00 H new ATOM 0 HB2 SER A 40 92.755 5.800 2.277 1.00 1.00 H new ATOM 0 HB3 SER A 40 92.241 4.728 0.989 1.00 1.00 H new ATOM 0 HG SER A 40 90.288 5.270 1.704 1.00 1.00 H new ATOM 623 N LYS A 41 92.127 4.976 4.758 1.00 1.00 N ATOM 624 CA LYS A 41 92.159 5.328 6.207 1.00 1.00 C ATOM 625 C LYS A 41 91.361 4.290 7.009 1.00 1.00 C ATOM 626 O LYS A 41 90.558 3.563 6.458 1.00 1.00 O ATOM 627 CB LYS A 41 91.541 6.717 6.407 1.00 1.00 C ATOM 628 CG LYS A 41 90.349 6.890 5.464 1.00 1.00 C ATOM 629 CD LYS A 41 90.785 7.683 4.230 1.00 1.00 C ATOM 630 CE LYS A 41 89.645 7.707 3.209 1.00 1.00 C ATOM 631 NZ LYS A 41 88.527 8.540 3.733 1.00 1.00 N ATOM 0 H LYS A 41 91.488 5.532 4.190 1.00 1.00 H new ATOM 0 HA LYS A 41 93.192 5.335 6.556 1.00 1.00 H new ATOM 0 HB2 LYS A 41 91.219 6.837 7.442 1.00 1.00 H new ATOM 0 HB3 LYS A 41 92.286 7.489 6.213 1.00 1.00 H new ATOM 0 HG2 LYS A 41 89.964 5.915 5.165 1.00 1.00 H new ATOM 0 HG3 LYS A 41 89.539 7.410 5.976 1.00 1.00 H new ATOM 0 HD2 LYS A 41 91.054 8.700 4.515 1.00 1.00 H new ATOM 0 HD3 LYS A 41 91.673 7.230 3.789 1.00 1.00 H new ATOM 0 HE2 LYS A 41 90.000 8.111 2.261 1.00 1.00 H new ATOM 0 HE3 LYS A 41 89.296 6.693 3.013 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 87.837 8.711 2.974 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 88.062 8.042 4.519 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 88.901 9.449 4.072 1.00 1.00 H new ATOM 645 N PRO A 42 91.574 4.222 8.304 1.00 1.00 N ATOM 646 CA PRO A 42 90.853 3.256 9.186 1.00 1.00 C ATOM 647 C PRO A 42 89.376 3.638 9.364 1.00 1.00 C ATOM 648 O PRO A 42 88.938 4.673 8.902 1.00 1.00 O ATOM 649 CB PRO A 42 91.598 3.335 10.534 1.00 1.00 C ATOM 650 CG PRO A 42 92.805 4.189 10.302 1.00 1.00 C ATOM 651 CD PRO A 42 92.521 5.044 9.066 1.00 1.00 C ATOM 0 HA PRO A 42 90.849 2.252 8.762 1.00 1.00 H new ATOM 0 HB2 PRO A 42 90.960 3.766 11.305 1.00 1.00 H new ATOM 0 HB3 PRO A 42 91.886 2.341 10.877 1.00 1.00 H new ATOM 0 HG2 PRO A 42 93.003 4.819 11.169 1.00 1.00 H new ATOM 0 HG3 PRO A 42 93.690 3.571 10.148 1.00 1.00 H new ATOM 0 HD2 PRO A 42 92.092 6.010 9.334 1.00 1.00 H new ATOM 0 HD3 PRO A 42 93.429 5.245 8.497 1.00 1.00 H new ATOM 659 N PRO A 43 88.616 2.806 10.030 1.00 1.00 N ATOM 660 CA PRO A 43 87.168 3.055 10.275 1.00 1.00 C ATOM 661 C PRO A 43 86.932 3.997 11.462 1.00 1.00 C ATOM 662 O PRO A 43 87.561 3.878 12.495 1.00 1.00 O ATOM 663 CB PRO A 43 86.623 1.660 10.580 1.00 1.00 C ATOM 664 CG PRO A 43 87.767 0.928 11.202 1.00 1.00 C ATOM 665 CD PRO A 43 89.052 1.531 10.623 1.00 1.00 C ATOM 0 HA PRO A 43 86.685 3.542 9.428 1.00 1.00 H new ATOM 0 HB2 PRO A 43 85.770 1.708 11.257 1.00 1.00 H new ATOM 0 HB3 PRO A 43 86.282 1.162 9.672 1.00 1.00 H new ATOM 0 HG2 PRO A 43 87.747 1.032 12.287 1.00 1.00 H new ATOM 0 HG3 PRO A 43 87.708 -0.138 10.982 1.00 1.00 H new ATOM 0 HD2 PRO A 43 89.803 1.688 11.398 1.00 1.00 H new ATOM 0 HD3 PRO A 43 89.498 0.875 9.875 1.00 1.00 H new ATOM 673 N LYS A 44 86.027 4.929 11.324 1.00 1.00 N ATOM 674 CA LYS A 44 85.747 5.875 12.444 1.00 1.00 C ATOM 675 C LYS A 44 84.551 5.366 13.252 1.00 1.00 C ATOM 676 O LYS A 44 84.677 4.473 14.065 1.00 1.00 O ATOM 677 CB LYS A 44 85.429 7.264 11.876 1.00 1.00 C ATOM 678 CG LYS A 44 86.725 7.962 11.458 1.00 1.00 C ATOM 679 CD LYS A 44 86.746 9.382 12.027 1.00 1.00 C ATOM 680 CE LYS A 44 86.948 9.323 13.543 1.00 1.00 C ATOM 681 NZ LYS A 44 87.846 8.183 13.880 1.00 1.00 N ATOM 0 H LYS A 44 85.469 5.076 10.483 1.00 1.00 H new ATOM 0 HA LYS A 44 86.622 5.941 13.091 1.00 1.00 H new ATOM 0 HB2 LYS A 44 84.762 7.173 11.019 1.00 1.00 H new ATOM 0 HB3 LYS A 44 84.908 7.862 12.623 1.00 1.00 H new ATOM 0 HG2 LYS A 44 87.586 7.401 11.821 1.00 1.00 H new ATOM 0 HG3 LYS A 44 86.800 7.993 10.371 1.00 1.00 H new ATOM 0 HD2 LYS A 44 87.548 9.958 11.565 1.00 1.00 H new ATOM 0 HD3 LYS A 44 85.811 9.892 11.794 1.00 1.00 H new ATOM 0 HE2 LYS A 44 87.380 10.258 13.900 1.00 1.00 H new ATOM 0 HE3 LYS A 44 85.987 9.204 14.044 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 88.307 8.363 14.795 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 87.288 7.307 13.939 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 88.571 8.082 13.141 1.00 1.00 H new ATOM 695 N LYS A 45 83.390 5.927 13.039 1.00 1.00 N ATOM 696 CA LYS A 45 82.197 5.465 13.805 1.00 1.00 C ATOM 697 C LYS A 45 80.922 6.070 13.209 1.00 1.00 C ATOM 698 O LYS A 45 80.450 7.100 13.645 1.00 1.00 O ATOM 699 CB LYS A 45 82.333 5.902 15.265 1.00 1.00 C ATOM 700 CG LYS A 45 81.072 5.507 16.036 1.00 1.00 C ATOM 701 CD LYS A 45 81.326 5.651 17.538 1.00 1.00 C ATOM 702 CE LYS A 45 79.989 5.754 18.275 1.00 1.00 C ATOM 703 NZ LYS A 45 79.390 7.097 18.032 1.00 1.00 N ATOM 0 H LYS A 45 83.217 6.680 12.373 1.00 1.00 H new ATOM 0 HA LYS A 45 82.135 4.378 13.749 1.00 1.00 H new ATOM 0 HB2 LYS A 45 83.209 5.435 15.715 1.00 1.00 H new ATOM 0 HB3 LYS A 45 82.483 6.980 15.320 1.00 1.00 H new ATOM 0 HG2 LYS A 45 80.236 6.139 15.736 1.00 1.00 H new ATOM 0 HG3 LYS A 45 80.796 4.479 15.800 1.00 1.00 H new ATOM 0 HD2 LYS A 45 81.891 4.794 17.906 1.00 1.00 H new ATOM 0 HD3 LYS A 45 81.929 6.538 17.732 1.00 1.00 H new ATOM 0 HE2 LYS A 45 79.311 4.974 17.930 1.00 1.00 H new ATOM 0 HE3 LYS A 45 80.138 5.598 19.344 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 78.723 7.323 18.797 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 80.143 7.814 18.006 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 78.885 7.092 17.123 1.00 1.00 H new ATOM 717 N GLY A 46 80.353 5.427 12.225 1.00 1.00 N ATOM 718 CA GLY A 46 79.098 5.951 11.611 1.00 1.00 C ATOM 719 C GLY A 46 79.361 7.286 10.910 1.00 1.00 C ATOM 720 O GLY A 46 79.185 7.411 9.715 1.00 1.00 O ATOM 0 H GLY A 46 80.704 4.560 11.819 1.00 1.00 H new ATOM 0 HA2 GLY A 46 78.707 5.228 10.895 1.00 1.00 H new ATOM 0 HA3 GLY A 46 78.337 6.081 12.380 1.00 1.00 H new ATOM 724 N VAL A 47 79.767 8.288 11.648 1.00 1.00 N ATOM 725 CA VAL A 47 80.029 9.624 11.035 1.00 1.00 C ATOM 726 C VAL A 47 80.636 9.457 9.638 1.00 1.00 C ATOM 727 O VAL A 47 81.647 8.807 9.461 1.00 1.00 O ATOM 728 CB VAL A 47 80.994 10.409 11.927 1.00 1.00 C ATOM 729 CG1 VAL A 47 82.399 9.817 11.805 1.00 1.00 C ATOM 730 CG2 VAL A 47 81.019 11.873 11.484 1.00 1.00 C ATOM 0 H VAL A 47 79.929 8.237 12.654 1.00 1.00 H new ATOM 0 HA VAL A 47 79.088 10.167 10.945 1.00 1.00 H new ATOM 0 HB VAL A 47 80.662 10.347 12.963 1.00 1.00 H new ATOM 0 HG11 VAL A 47 83.086 10.376 12.440 1.00 1.00 H new ATOM 0 HG12 VAL A 47 82.383 8.773 12.119 1.00 1.00 H new ATOM 0 HG13 VAL A 47 82.731 9.879 10.769 1.00 1.00 H new ATOM 0 HG21 VAL A 47 81.706 12.433 12.118 1.00 1.00 H new ATOM 0 HG22 VAL A 47 81.351 11.934 10.447 1.00 1.00 H new ATOM 0 HG23 VAL A 47 80.018 12.296 11.570 1.00 1.00 H new ATOM 740 N GLN A 48 80.022 10.041 8.645 1.00 1.00 N ATOM 741 CA GLN A 48 80.556 9.920 7.261 1.00 1.00 C ATOM 742 C GLN A 48 82.038 10.302 7.250 1.00 1.00 C ATOM 743 O GLN A 48 82.418 11.365 7.699 1.00 1.00 O ATOM 744 CB GLN A 48 79.776 10.854 6.330 1.00 1.00 C ATOM 745 CG GLN A 48 79.862 12.291 6.849 1.00 1.00 C ATOM 746 CD GLN A 48 80.887 13.071 6.024 1.00 1.00 C ATOM 747 OE1 GLN A 48 80.783 13.089 4.723 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 81.792 13.672 6.569 1.00 1.00 N flip ATOM 0 H GLN A 48 79.172 10.598 8.734 1.00 1.00 H new ATOM 0 HA GLN A 48 80.446 8.892 6.917 1.00 1.00 H new ATOM 0 HB2 GLN A 48 80.181 10.797 5.320 1.00 1.00 H new ATOM 0 HB3 GLN A 48 78.734 10.539 6.274 1.00 1.00 H new ATOM 0 HG2 GLN A 48 78.886 12.771 6.784 1.00 1.00 H new ATOM 0 HG3 GLN A 48 80.149 12.293 7.901 1.00 1.00 H new ATOM 0 HE21 GLN A 48 81.874 13.658 7.586 1.00 1.00 H new ATOM 0 HE22 GLN A 48 82.470 14.190 6.010 1.00 1.00 H new ATOM 757 N GLY A 49 82.878 9.439 6.745 1.00 1.00 N ATOM 758 CA GLY A 49 84.337 9.747 6.707 1.00 1.00 C ATOM 759 C GLY A 49 84.690 10.412 5.376 1.00 1.00 C ATOM 760 O GLY A 49 85.591 11.224 5.297 1.00 1.00 O ATOM 0 H GLY A 49 82.617 8.533 6.357 1.00 1.00 H new ATOM 0 HA2 GLY A 49 84.601 10.405 7.535 1.00 1.00 H new ATOM 0 HA3 GLY A 49 84.915 8.831 6.831 1.00 1.00 H new ATOM 764 N CYS A 50 83.990 10.075 4.326 1.00 1.00 N ATOM 765 CA CYS A 50 84.292 10.688 3.002 1.00 1.00 C ATOM 766 C CYS A 50 83.895 12.167 3.021 1.00 1.00 C ATOM 767 O CYS A 50 84.503 12.974 3.695 1.00 1.00 O ATOM 768 CB CYS A 50 83.501 9.963 1.910 1.00 1.00 C ATOM 769 SG CYS A 50 83.968 10.619 0.289 1.00 1.00 S ATOM 0 H CYS A 50 83.223 9.402 4.329 1.00 1.00 H new ATOM 0 HA CYS A 50 85.359 10.600 2.797 1.00 1.00 H new ATOM 0 HB2 CYS A 50 83.700 8.892 1.952 1.00 1.00 H new ATOM 0 HB3 CYS A 50 82.431 10.095 2.073 1.00 1.00 H new ATOM 774 N GLY A 51 82.880 12.528 2.283 1.00 1.00 N ATOM 775 CA GLY A 51 82.444 13.954 2.254 1.00 1.00 C ATOM 776 C GLY A 51 80.947 14.024 1.944 1.00 1.00 C ATOM 777 O GLY A 51 80.446 15.029 1.479 1.00 1.00 O ATOM 0 H GLY A 51 82.333 11.896 1.698 1.00 1.00 H new ATOM 0 HA2 GLY A 51 82.650 14.428 3.214 1.00 1.00 H new ATOM 0 HA3 GLY A 51 83.008 14.503 1.500 1.00 1.00 H new ATOM 781 N ASP A 52 80.228 12.963 2.196 1.00 1.00 N ATOM 782 CA ASP A 52 78.764 12.970 1.913 1.00 1.00 C ATOM 783 C ASP A 52 78.023 13.632 3.076 1.00 1.00 C ATOM 784 O ASP A 52 78.624 14.101 4.022 1.00 1.00 O ATOM 785 CB ASP A 52 78.270 11.531 1.746 1.00 1.00 C ATOM 786 CG ASP A 52 79.073 10.840 0.642 1.00 1.00 C ATOM 787 OD1 ASP A 52 79.042 11.325 -0.477 1.00 1.00 O ATOM 788 OD2 ASP A 52 79.705 9.839 0.935 1.00 1.00 O ATOM 0 H ASP A 52 80.591 12.093 2.585 1.00 1.00 H new ATOM 0 HA ASP A 52 78.574 13.528 0.996 1.00 1.00 H new ATOM 0 HB2 ASP A 52 78.379 10.987 2.684 1.00 1.00 H new ATOM 0 HB3 ASP A 52 77.209 11.526 1.496 1.00 1.00 H new ATOM 793 N ASP A 53 76.719 13.675 3.014 1.00 1.00 N ATOM 794 CA ASP A 53 75.942 14.309 4.116 1.00 1.00 C ATOM 795 C ASP A 53 74.446 14.082 3.884 1.00 1.00 C ATOM 796 O ASP A 53 73.682 13.930 4.816 1.00 1.00 O ATOM 797 CB ASP A 53 76.233 15.812 4.145 1.00 1.00 C ATOM 798 CG ASP A 53 75.281 16.499 5.127 1.00 1.00 C ATOM 799 OD1 ASP A 53 74.834 15.837 6.049 1.00 1.00 O ATOM 800 OD2 ASP A 53 75.016 17.675 4.939 1.00 1.00 O ATOM 0 H ASP A 53 76.160 13.299 2.249 1.00 1.00 H new ATOM 0 HA ASP A 53 76.232 13.864 5.068 1.00 1.00 H new ATOM 0 HB2 ASP A 53 77.267 15.987 4.442 1.00 1.00 H new ATOM 0 HB3 ASP A 53 76.112 16.236 3.148 1.00 1.00 H new ATOM 805 N ILE A 54 74.023 14.063 2.647 1.00 1.00 N ATOM 806 CA ILE A 54 72.575 13.851 2.348 1.00 1.00 C ATOM 807 C ILE A 54 72.421 12.691 1.358 1.00 1.00 C ATOM 808 O ILE A 54 72.231 12.897 0.176 1.00 1.00 O ATOM 809 CB ILE A 54 71.989 15.128 1.732 1.00 1.00 C ATOM 810 CG1 ILE A 54 72.568 16.350 2.448 1.00 1.00 C ATOM 811 CG2 ILE A 54 70.467 15.120 1.890 1.00 1.00 C ATOM 812 CD1 ILE A 54 73.785 16.866 1.676 1.00 1.00 C ATOM 0 H ILE A 54 74.619 14.185 1.829 1.00 1.00 H new ATOM 0 HA ILE A 54 72.045 13.614 3.270 1.00 1.00 H new ATOM 0 HB ILE A 54 72.244 15.170 0.673 1.00 1.00 H new ATOM 0 HG12 ILE A 54 71.813 17.133 2.522 1.00 1.00 H new ATOM 0 HG13 ILE A 54 72.855 16.086 3.466 1.00 1.00 H new ATOM 0 HG21 ILE A 54 70.051 16.027 1.452 1.00 1.00 H new ATOM 0 HG22 ILE A 54 70.053 14.249 1.382 1.00 1.00 H new ATOM 0 HG23 ILE A 54 70.211 15.078 2.949 1.00 1.00 H new ATOM 0 HD11 ILE A 54 74.197 17.737 2.186 1.00 1.00 H new ATOM 0 HD12 ILE A 54 74.542 16.083 1.625 1.00 1.00 H new ATOM 0 HD13 ILE A 54 73.484 17.146 0.667 1.00 1.00 H new ATOM 824 N PRO A 55 72.501 11.479 1.841 1.00 1.00 N ATOM 825 CA PRO A 55 72.370 10.263 0.994 1.00 1.00 C ATOM 826 C PRO A 55 70.906 9.873 0.760 1.00 1.00 C ATOM 827 O PRO A 55 70.026 10.241 1.512 1.00 1.00 O ATOM 828 CB PRO A 55 73.088 9.194 1.815 1.00 1.00 C ATOM 829 CG PRO A 55 72.898 9.605 3.239 1.00 1.00 C ATOM 830 CD PRO A 55 72.730 11.129 3.252 1.00 1.00 C ATOM 0 HA PRO A 55 72.785 10.406 -0.004 1.00 1.00 H new ATOM 0 HB2 PRO A 55 72.667 8.206 1.630 1.00 1.00 H new ATOM 0 HB3 PRO A 55 74.146 9.143 1.557 1.00 1.00 H new ATOM 0 HG2 PRO A 55 72.022 9.118 3.667 1.00 1.00 H new ATOM 0 HG3 PRO A 55 73.755 9.307 3.843 1.00 1.00 H new ATOM 0 HD2 PRO A 55 71.891 11.432 3.879 1.00 1.00 H new ATOM 0 HD3 PRO A 55 73.617 11.624 3.646 1.00 1.00 H new ATOM 838 N GLY A 56 70.641 9.126 -0.278 1.00 1.00 N ATOM 839 CA GLY A 56 69.237 8.708 -0.559 1.00 1.00 C ATOM 840 C GLY A 56 68.463 9.878 -1.169 1.00 1.00 C ATOM 841 O GLY A 56 67.254 9.950 -1.072 1.00 1.00 O ATOM 0 H GLY A 56 71.336 8.787 -0.943 1.00 1.00 H new ATOM 0 HA2 GLY A 56 69.230 7.859 -1.243 1.00 1.00 H new ATOM 0 HA3 GLY A 56 68.754 8.380 0.361 1.00 1.00 H new ATOM 845 N MET A 57 69.148 10.795 -1.799 1.00 1.00 N ATOM 846 CA MET A 57 68.450 11.960 -2.417 1.00 1.00 C ATOM 847 C MET A 57 68.218 11.686 -3.906 1.00 1.00 C ATOM 848 O MET A 57 67.364 12.285 -4.529 1.00 1.00 O ATOM 849 CB MET A 57 69.314 13.216 -2.256 1.00 1.00 C ATOM 850 CG MET A 57 68.977 13.901 -0.930 1.00 1.00 C ATOM 851 SD MET A 57 67.412 14.795 -1.093 1.00 1.00 S ATOM 852 CE MET A 57 67.274 15.327 0.631 1.00 1.00 C ATOM 0 H MET A 57 70.162 10.788 -1.912 1.00 1.00 H new ATOM 0 HA MET A 57 67.490 12.113 -1.923 1.00 1.00 H new ATOM 0 HB2 MET A 57 70.371 12.949 -2.281 1.00 1.00 H new ATOM 0 HB3 MET A 57 69.138 13.900 -3.086 1.00 1.00 H new ATOM 0 HG2 MET A 57 68.904 13.160 -0.134 1.00 1.00 H new ATOM 0 HG3 MET A 57 69.774 14.590 -0.651 1.00 1.00 H new ATOM 0 HE1 MET A 57 66.226 15.499 0.876 1.00 1.00 H new ATOM 0 HE2 MET A 57 67.677 14.553 1.284 1.00 1.00 H new ATOM 0 HE3 MET A 57 67.836 16.250 0.773 1.00 1.00 H new ATOM 862 N GLU A 58 68.970 10.788 -4.482 1.00 1.00 N ATOM 863 CA GLU A 58 68.786 10.486 -5.930 1.00 1.00 C ATOM 864 C GLU A 58 69.631 9.269 -6.321 1.00 1.00 C ATOM 865 O GLU A 58 70.373 9.303 -7.283 1.00 1.00 O ATOM 866 CB GLU A 58 69.225 11.695 -6.761 1.00 1.00 C ATOM 867 CG GLU A 58 68.648 11.581 -8.173 1.00 1.00 C ATOM 868 CD GLU A 58 69.111 12.773 -9.013 1.00 1.00 C ATOM 869 OE1 GLU A 58 69.887 13.565 -8.503 1.00 1.00 O ATOM 870 OE2 GLU A 58 68.683 12.873 -10.151 1.00 1.00 O ATOM 0 H GLU A 58 69.701 10.252 -4.015 1.00 1.00 H new ATOM 0 HA GLU A 58 67.735 10.270 -6.120 1.00 1.00 H new ATOM 0 HB2 GLU A 58 68.883 12.617 -6.290 1.00 1.00 H new ATOM 0 HB3 GLU A 58 70.313 11.744 -6.804 1.00 1.00 H new ATOM 0 HG2 GLU A 58 68.973 10.649 -8.636 1.00 1.00 H new ATOM 0 HG3 GLU A 58 67.559 11.554 -8.131 1.00 1.00 H new ATOM 877 N GLY A 59 69.522 8.194 -5.590 1.00 1.00 N ATOM 878 CA GLY A 59 70.317 6.979 -5.933 1.00 1.00 C ATOM 879 C GLY A 59 69.582 6.185 -7.013 1.00 1.00 C ATOM 880 O GLY A 59 69.968 6.176 -8.165 1.00 1.00 O ATOM 0 H GLY A 59 68.919 8.103 -4.772 1.00 1.00 H new ATOM 0 HA2 GLY A 59 71.307 7.266 -6.286 1.00 1.00 H new ATOM 0 HA3 GLY A 59 70.461 6.362 -5.046 1.00 1.00 H new ATOM 884 N CYS A 60 68.517 5.524 -6.650 1.00 1.00 N ATOM 885 CA CYS A 60 67.743 4.735 -7.649 1.00 1.00 C ATOM 886 C CYS A 60 66.267 4.721 -7.243 1.00 1.00 C ATOM 887 O CYS A 60 65.487 3.924 -7.725 1.00 1.00 O ATOM 888 CB CYS A 60 68.279 3.300 -7.696 1.00 1.00 C ATOM 889 SG CYS A 60 69.539 3.169 -8.988 1.00 1.00 S ATOM 0 H CYS A 60 68.148 5.497 -5.699 1.00 1.00 H new ATOM 0 HA CYS A 60 67.846 5.188 -8.635 1.00 1.00 H new ATOM 0 HB2 CYS A 60 68.704 3.027 -6.730 1.00 1.00 H new ATOM 0 HB3 CYS A 60 67.465 2.603 -7.895 1.00 1.00 H new ATOM 894 N GLY A 61 65.883 5.600 -6.358 1.00 1.00 N ATOM 895 CA GLY A 61 64.463 5.647 -5.914 1.00 1.00 C ATOM 896 C GLY A 61 64.337 6.640 -4.760 1.00 1.00 C ATOM 897 O GLY A 61 63.255 7.060 -4.402 1.00 1.00 O ATOM 0 H GLY A 61 66.495 6.290 -5.922 1.00 1.00 H new ATOM 0 HA2 GLY A 61 63.819 5.947 -6.741 1.00 1.00 H new ATOM 0 HA3 GLY A 61 64.134 4.657 -5.597 1.00 1.00 H new ATOM 901 N THR A 62 65.444 7.020 -4.180 1.00 1.00 N ATOM 902 CA THR A 62 65.407 7.989 -3.050 1.00 1.00 C ATOM 903 C THR A 62 64.832 7.307 -1.808 1.00 1.00 C ATOM 904 O THR A 62 65.387 7.388 -0.730 1.00 1.00 O ATOM 905 CB THR A 62 64.536 9.191 -3.433 1.00 1.00 C ATOM 906 OG1 THR A 62 64.632 9.416 -4.832 1.00 1.00 O ATOM 907 CG2 THR A 62 65.016 10.433 -2.680 1.00 1.00 C ATOM 0 H THR A 62 66.376 6.699 -4.443 1.00 1.00 H new ATOM 0 HA THR A 62 66.418 8.333 -2.834 1.00 1.00 H new ATOM 0 HB THR A 62 63.499 8.987 -3.168 1.00 1.00 H new ATOM 0 HG1 THR A 62 64.074 10.183 -5.079 1.00 1.00 H new ATOM 0 HG21 THR A 62 64.396 11.287 -2.953 1.00 1.00 H new ATOM 0 HG22 THR A 62 64.941 10.259 -1.607 1.00 1.00 H new ATOM 0 HG23 THR A 62 66.054 10.639 -2.943 1.00 1.00 H new ATOM 915 N ASP A 63 63.727 6.630 -1.949 1.00 1.00 N ATOM 916 CA ASP A 63 63.123 5.941 -0.777 1.00 1.00 C ATOM 917 C ASP A 63 64.057 4.822 -0.317 1.00 1.00 C ATOM 918 O ASP A 63 63.980 3.706 -0.791 1.00 1.00 O ATOM 919 CB ASP A 63 61.773 5.345 -1.179 1.00 1.00 C ATOM 920 CG ASP A 63 60.819 6.470 -1.586 1.00 1.00 C ATOM 921 OD1 ASP A 63 61.227 7.618 -1.523 1.00 1.00 O ATOM 922 OD2 ASP A 63 59.696 6.163 -1.953 1.00 1.00 O ATOM 0 H ASP A 63 63.216 6.524 -2.826 1.00 1.00 H new ATOM 0 HA ASP A 63 62.977 6.654 0.035 1.00 1.00 H new ATOM 0 HB2 ASP A 63 61.903 4.647 -2.006 1.00 1.00 H new ATOM 0 HB3 ASP A 63 61.351 4.779 -0.348 1.00 1.00 H new ATOM 927 N ILE A 64 64.946 5.109 0.597 1.00 1.00 N ATOM 928 CA ILE A 64 65.883 4.054 1.075 1.00 1.00 C ATOM 929 C ILE A 64 66.647 3.500 -0.131 1.00 1.00 C ATOM 930 O ILE A 64 67.432 2.581 -0.021 1.00 1.00 O ATOM 931 CB ILE A 64 65.071 2.935 1.761 1.00 1.00 C ATOM 932 CG1 ILE A 64 65.009 3.202 3.267 1.00 1.00 C ATOM 933 CG2 ILE A 64 65.747 1.586 1.512 1.00 1.00 C ATOM 934 CD1 ILE A 64 64.286 4.526 3.521 1.00 1.00 C ATOM 0 H ILE A 64 65.063 6.025 1.031 1.00 1.00 H new ATOM 0 HA ILE A 64 66.593 4.464 1.793 1.00 1.00 H new ATOM 0 HB ILE A 64 64.061 2.916 1.351 1.00 1.00 H new ATOM 0 HG12 ILE A 64 64.487 2.388 3.770 1.00 1.00 H new ATOM 0 HG13 ILE A 64 66.016 3.240 3.682 1.00 1.00 H new ATOM 0 HG21 ILE A 64 65.173 0.796 1.997 1.00 1.00 H new ATOM 0 HG22 ILE A 64 65.794 1.395 0.440 1.00 1.00 H new ATOM 0 HG23 ILE A 64 66.757 1.604 1.922 1.00 1.00 H new ATOM 0 HD11 ILE A 64 64.242 4.716 4.593 1.00 1.00 H new ATOM 0 HD12 ILE A 64 64.827 5.336 3.031 1.00 1.00 H new ATOM 0 HD13 ILE A 64 63.274 4.471 3.120 1.00 1.00 H new ATOM 946 N THR A 65 66.416 4.051 -1.286 1.00 1.00 N ATOM 947 CA THR A 65 67.115 3.549 -2.498 1.00 1.00 C ATOM 948 C THR A 65 67.124 2.022 -2.468 1.00 1.00 C ATOM 949 O THR A 65 68.145 1.388 -2.637 1.00 1.00 O ATOM 950 CB THR A 65 68.552 4.081 -2.534 1.00 1.00 C ATOM 951 OG1 THR A 65 68.528 5.495 -2.663 1.00 1.00 O ATOM 952 CG2 THR A 65 69.295 3.471 -3.724 1.00 1.00 C ATOM 0 H THR A 65 65.774 4.827 -1.444 1.00 1.00 H new ATOM 0 HA THR A 65 66.594 3.896 -3.391 1.00 1.00 H new ATOM 0 HB THR A 65 69.064 3.808 -1.611 1.00 1.00 H new ATOM 0 HG1 THR A 65 68.186 5.737 -3.549 1.00 1.00 H new ATOM 0 HG21 THR A 65 70.317 3.850 -3.748 1.00 1.00 H new ATOM 0 HG22 THR A 65 69.313 2.386 -3.624 1.00 1.00 H new ATOM 0 HG23 THR A 65 68.785 3.742 -4.649 1.00 1.00 H new ATOM 960 N VAL A 66 65.980 1.435 -2.246 1.00 1.00 N ATOM 961 CA VAL A 66 65.884 -0.049 -2.193 1.00 1.00 C ATOM 962 C VAL A 66 66.557 -0.572 -0.922 1.00 1.00 C ATOM 963 O VAL A 66 65.913 -1.142 -0.064 1.00 1.00 O ATOM 964 CB VAL A 66 66.559 -0.667 -3.425 1.00 1.00 C ATOM 965 CG1 VAL A 66 66.034 -2.088 -3.637 1.00 1.00 C ATOM 966 CG2 VAL A 66 66.241 0.182 -4.658 1.00 1.00 C ATOM 0 H VAL A 66 65.099 1.927 -2.098 1.00 1.00 H new ATOM 0 HA VAL A 66 64.831 -0.331 -2.184 1.00 1.00 H new ATOM 0 HB VAL A 66 67.638 -0.698 -3.271 1.00 1.00 H new ATOM 0 HG11 VAL A 66 66.514 -2.526 -4.512 1.00 1.00 H new ATOM 0 HG12 VAL A 66 66.258 -2.694 -2.759 1.00 1.00 H new ATOM 0 HG13 VAL A 66 64.955 -2.058 -3.791 1.00 1.00 H new ATOM 0 HG21 VAL A 66 66.720 -0.255 -5.534 1.00 1.00 H new ATOM 0 HG22 VAL A 66 65.162 0.212 -4.811 1.00 1.00 H new ATOM 0 HG23 VAL A 66 66.614 1.195 -4.508 1.00 1.00 H new ATOM 976 N ILE A 67 67.847 -0.394 -0.794 1.00 1.00 N ATOM 977 CA ILE A 67 68.552 -0.897 0.425 1.00 1.00 C ATOM 978 C ILE A 67 69.538 0.152 0.953 1.00 1.00 C ATOM 979 O ILE A 67 70.639 0.282 0.455 1.00 1.00 O ATOM 980 CB ILE A 67 69.325 -2.175 0.079 1.00 1.00 C ATOM 981 CG1 ILE A 67 68.335 -3.291 -0.264 1.00 1.00 C ATOM 982 CG2 ILE A 67 70.174 -2.600 1.279 1.00 1.00 C ATOM 983 CD1 ILE A 67 67.857 -3.963 1.024 1.00 1.00 C ATOM 0 H ILE A 67 68.441 0.076 -1.477 1.00 1.00 H new ATOM 0 HA ILE A 67 67.807 -1.103 1.193 1.00 1.00 H new ATOM 0 HB ILE A 67 69.974 -1.986 -0.776 1.00 1.00 H new ATOM 0 HG12 ILE A 67 67.485 -2.882 -0.810 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.810 -4.025 -0.915 1.00 1.00 H new ATOM 0 HG21 ILE A 67 70.723 -3.509 1.033 1.00 1.00 H new ATOM 0 HG22 ILE A 67 70.878 -1.806 1.526 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.526 -2.789 2.135 1.00 1.00 H new ATOM 0 HD11 ILE A 67 67.152 -4.758 0.780 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.711 -4.386 1.553 1.00 1.00 H new ATOM 0 HD13 ILE A 67 67.366 -3.225 1.659 1.00 1.00 H new ATOM 995 N CYS A 68 69.169 0.871 1.981 1.00 1.00 N ATOM 996 CA CYS A 68 70.100 1.878 2.572 1.00 1.00 C ATOM 997 C CYS A 68 70.483 1.421 3.983 1.00 1.00 C ATOM 998 O CYS A 68 69.735 0.721 4.635 1.00 1.00 O ATOM 999 CB CYS A 68 69.409 3.245 2.652 1.00 1.00 C ATOM 1000 SG CYS A 68 69.312 3.976 0.999 1.00 1.00 S ATOM 0 H CYS A 68 68.260 0.804 2.438 1.00 1.00 H new ATOM 0 HA CYS A 68 70.990 1.966 1.948 1.00 1.00 H new ATOM 0 HB2 CYS A 68 68.409 3.134 3.070 1.00 1.00 H new ATOM 0 HB3 CYS A 68 69.963 3.905 3.320 1.00 1.00 H new ATOM 1005 N PRO A 69 71.640 1.804 4.463 1.00 1.00 N ATOM 1006 CA PRO A 69 72.106 1.410 5.822 1.00 1.00 C ATOM 1007 C PRO A 69 71.035 1.665 6.887 1.00 1.00 C ATOM 1008 O PRO A 69 71.171 1.267 8.026 1.00 1.00 O ATOM 1009 CB PRO A 69 73.352 2.282 6.072 1.00 1.00 C ATOM 1010 CG PRO A 69 73.416 3.258 4.940 1.00 1.00 C ATOM 1011 CD PRO A 69 72.623 2.653 3.781 1.00 1.00 C ATOM 0 HA PRO A 69 72.324 0.344 5.881 1.00 1.00 H new ATOM 0 HB2 PRO A 69 73.278 2.800 7.028 1.00 1.00 H new ATOM 0 HB3 PRO A 69 74.253 1.670 6.109 1.00 1.00 H new ATOM 0 HG2 PRO A 69 72.995 4.219 5.235 1.00 1.00 H new ATOM 0 HG3 PRO A 69 74.450 3.440 4.646 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.142 3.422 3.176 1.00 1.00 H new ATOM 0 HD3 PRO A 69 73.262 2.075 3.113 1.00 1.00 H new ATOM 1019 N TRP A 70 69.969 2.322 6.519 1.00 1.00 N ATOM 1020 CA TRP A 70 68.887 2.597 7.505 1.00 1.00 C ATOM 1021 C TRP A 70 68.031 1.340 7.670 1.00 1.00 C ATOM 1022 O TRP A 70 67.470 1.091 8.719 1.00 1.00 O ATOM 1023 CB TRP A 70 68.014 3.750 7.003 1.00 1.00 C ATOM 1024 CG TRP A 70 68.840 4.991 6.887 1.00 1.00 C ATOM 1025 CD1 TRP A 70 70.166 5.068 7.141 1.00 1.00 C ATOM 1026 CD2 TRP A 70 68.420 6.330 6.493 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.588 6.367 6.928 1.00 1.00 N ATOM 1028 CE2 TRP A 70 69.550 7.184 6.528 1.00 1.00 C ATOM 1029 CE3 TRP A 70 67.184 6.882 6.113 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 69.453 8.538 6.196 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 67.084 8.240 5.780 1.00 1.00 C ATOM 1032 CH2 TRP A 70 68.215 9.067 5.821 1.00 1.00 C ATOM 0 H TRP A 70 69.801 2.680 5.579 1.00 1.00 H new ATOM 0 HA TRP A 70 69.326 2.872 8.464 1.00 1.00 H new ATOM 0 HB2 TRP A 70 67.581 3.497 6.035 1.00 1.00 H new ATOM 0 HB3 TRP A 70 67.184 3.916 7.689 1.00 1.00 H new ATOM 0 HD1 TRP A 70 70.793 4.248 7.459 1.00 1.00 H new ATOM 0 HE1 TRP A 70 71.550 6.683 7.051 1.00 1.00 H new ATOM 0 HE3 TRP A 70 66.305 6.255 6.077 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 70.328 9.171 6.229 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 66.129 8.652 5.490 1.00 1.00 H new ATOM 0 HH2 TRP A 70 68.130 10.112 5.563 1.00 1.00 H new ATOM 1043 N GLU A 71 67.932 0.539 6.641 1.00 1.00 N ATOM 1044 CA GLU A 71 67.120 -0.708 6.737 1.00 1.00 C ATOM 1045 C GLU A 71 68.039 -1.875 7.097 1.00 1.00 C ATOM 1046 O GLU A 71 67.744 -2.665 7.972 1.00 1.00 O ATOM 1047 CB GLU A 71 66.449 -0.988 5.387 1.00 1.00 C ATOM 1048 CG GLU A 71 65.169 -0.158 5.269 1.00 1.00 C ATOM 1049 CD GLU A 71 64.032 -0.864 6.008 1.00 1.00 C ATOM 1050 OE1 GLU A 71 63.764 -2.011 5.687 1.00 1.00 O ATOM 1051 OE2 GLU A 71 63.448 -0.247 6.884 1.00 1.00 O ATOM 0 H GLU A 71 68.379 0.696 5.738 1.00 1.00 H new ATOM 0 HA GLU A 71 66.354 -0.589 7.504 1.00 1.00 H new ATOM 0 HB2 GLU A 71 67.130 -0.742 4.573 1.00 1.00 H new ATOM 0 HB3 GLU A 71 66.216 -2.049 5.298 1.00 1.00 H new ATOM 0 HG2 GLU A 71 65.328 0.836 5.688 1.00 1.00 H new ATOM 0 HG3 GLU A 71 64.906 -0.023 4.220 1.00 1.00 H new ATOM 1058 N ALA A 72 69.152 -1.987 6.427 1.00 1.00 N ATOM 1059 CA ALA A 72 70.092 -3.100 6.729 1.00 1.00 C ATOM 1060 C ALA A 72 70.864 -2.777 8.009 1.00 1.00 C ATOM 1061 O ALA A 72 70.380 -2.077 8.876 1.00 1.00 O ATOM 1062 CB ALA A 72 71.075 -3.269 5.567 1.00 1.00 C ATOM 0 H ALA A 72 69.451 -1.356 5.684 1.00 1.00 H new ATOM 0 HA ALA A 72 69.531 -4.025 6.865 1.00 1.00 H new ATOM 0 HB1 ALA A 72 71.764 -4.084 5.789 1.00 1.00 H new ATOM 0 HB2 ALA A 72 70.524 -3.497 4.655 1.00 1.00 H new ATOM 0 HB3 ALA A 72 71.638 -2.346 5.430 1.00 1.00 H new ATOM 1068 N CYS A 73 72.058 -3.283 8.135 1.00 1.00 N ATOM 1069 CA CYS A 73 72.860 -3.007 9.360 1.00 1.00 C ATOM 1070 C CYS A 73 73.516 -1.628 9.243 1.00 1.00 C ATOM 1071 O CYS A 73 74.513 -1.460 8.570 1.00 1.00 O ATOM 1072 CB CYS A 73 73.945 -4.081 9.517 1.00 1.00 C ATOM 1073 SG CYS A 73 74.078 -5.032 7.983 1.00 1.00 S ATOM 0 HA CYS A 73 72.206 -3.024 10.232 1.00 1.00 H new ATOM 0 HB2 CYS A 73 74.902 -3.615 9.753 1.00 1.00 H new ATOM 0 HB3 CYS A 73 73.699 -4.743 10.348 1.00 1.00 H new ATOM 1078 N ASN A 74 72.971 -0.640 9.901 1.00 1.00 N ATOM 1079 CA ASN A 74 73.576 0.719 9.831 1.00 1.00 C ATOM 1080 C ASN A 74 75.077 0.609 10.104 1.00 1.00 C ATOM 1081 O ASN A 74 75.892 1.151 9.383 1.00 1.00 O ATOM 1082 CB ASN A 74 72.930 1.623 10.883 1.00 1.00 C ATOM 1083 CG ASN A 74 71.407 1.501 10.795 1.00 1.00 C ATOM 1084 OD1 ASN A 74 70.838 0.365 11.090 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 70.729 2.450 10.455 1.00 1.00 N flip ATOM 0 H ASN A 74 72.136 -0.716 10.482 1.00 1.00 H new ATOM 0 HA ASN A 74 73.410 1.146 8.842 1.00 1.00 H new ATOM 0 HB2 ASN A 74 73.271 1.341 11.879 1.00 1.00 H new ATOM 0 HB3 ASN A 74 73.232 2.658 10.724 1.00 1.00 H new ATOM 0 HD21 ASN A 74 71.174 3.338 10.224 1.00 1.00 H new ATOM 0 HD22 ASN A 74 69.715 2.359 10.400 1.00 1.00 H new ATOM 1092 N HIS A 75 75.448 -0.098 11.137 1.00 1.00 N ATOM 1093 CA HIS A 75 76.894 -0.256 11.453 1.00 1.00 C ATOM 1094 C HIS A 75 77.640 -0.666 10.180 1.00 1.00 C ATOM 1095 O HIS A 75 77.065 -1.235 9.273 1.00 1.00 O ATOM 1096 CB HIS A 75 77.061 -1.340 12.528 1.00 1.00 C ATOM 1097 CG HIS A 75 78.223 -0.991 13.417 1.00 1.00 C ATOM 1098 ND1 HIS A 75 78.157 0.030 14.353 1.00 1.00 N ATOM 1099 CD2 HIS A 75 79.487 -1.519 13.525 1.00 1.00 C ATOM 1100 CE1 HIS A 75 79.346 0.086 14.979 1.00 1.00 C ATOM 1101 NE2 HIS A 75 80.191 -0.835 14.511 1.00 1.00 N ATOM 0 H HIS A 75 74.810 -0.573 11.776 1.00 1.00 H new ATOM 0 HA HIS A 75 77.301 0.684 11.825 1.00 1.00 H new ATOM 0 HB2 HIS A 75 76.149 -1.424 13.120 1.00 1.00 H new ATOM 0 HB3 HIS A 75 77.227 -2.310 12.059 1.00 1.00 H new ATOM 0 HD2 HIS A 75 79.874 -2.338 12.936 1.00 1.00 H new ATOM 0 HE1 HIS A 75 79.587 0.789 15.763 1.00 1.00 H new ATOM 0 HE2 HIS A 75 81.151 -1.002 14.813 1.00 1.00 H new ATOM 1110 N CYS A 76 78.910 -0.382 10.098 1.00 1.00 N ATOM 1111 CA CYS A 76 79.672 -0.761 8.875 1.00 1.00 C ATOM 1112 C CYS A 76 81.172 -0.737 9.173 1.00 1.00 C ATOM 1113 O CYS A 76 81.915 0.037 8.602 1.00 1.00 O ATOM 1114 CB CYS A 76 79.360 0.232 7.753 1.00 1.00 C ATOM 1115 SG CYS A 76 79.951 1.878 8.221 1.00 1.00 S ATOM 0 H CYS A 76 79.451 0.093 10.820 1.00 1.00 H new ATOM 0 HA CYS A 76 79.382 -1.765 8.566 1.00 1.00 H new ATOM 0 HB2 CYS A 76 79.838 -0.088 6.827 1.00 1.00 H new ATOM 0 HB3 CYS A 76 78.287 0.259 7.565 1.00 1.00 H new ATOM 1120 N GLU A 77 81.629 -1.584 10.056 1.00 1.00 N ATOM 1121 CA GLU A 77 83.084 -1.609 10.372 1.00 1.00 C ATOM 1122 C GLU A 77 83.847 -2.110 9.144 1.00 1.00 C ATOM 1123 O GLU A 77 83.479 -3.093 8.532 1.00 1.00 O ATOM 1124 CB GLU A 77 83.338 -2.548 11.557 1.00 1.00 C ATOM 1125 CG GLU A 77 83.077 -1.801 12.867 1.00 1.00 C ATOM 1126 CD GLU A 77 83.329 -2.739 14.049 1.00 1.00 C ATOM 1127 OE1 GLU A 77 84.160 -3.622 13.913 1.00 1.00 O ATOM 1128 OE2 GLU A 77 82.686 -2.558 15.070 1.00 1.00 O ATOM 0 H GLU A 77 81.059 -2.257 10.570 1.00 1.00 H new ATOM 0 HA GLU A 77 83.423 -0.607 10.635 1.00 1.00 H new ATOM 0 HB2 GLU A 77 82.689 -3.421 11.488 1.00 1.00 H new ATOM 0 HB3 GLU A 77 84.365 -2.912 11.532 1.00 1.00 H new ATOM 0 HG2 GLU A 77 83.727 -0.929 12.936 1.00 1.00 H new ATOM 0 HG3 GLU A 77 82.050 -1.436 12.891 1.00 1.00 H new ATOM 1135 N LEU A 78 84.898 -1.436 8.768 1.00 1.00 N ATOM 1136 CA LEU A 78 85.671 -1.870 7.569 1.00 1.00 C ATOM 1137 C LEU A 78 86.456 -3.147 7.893 1.00 1.00 C ATOM 1138 O LEU A 78 87.611 -3.278 7.545 1.00 1.00 O ATOM 1139 CB LEU A 78 86.639 -0.747 7.159 1.00 1.00 C ATOM 1140 CG LEU A 78 86.735 -0.679 5.634 1.00 1.00 C ATOM 1141 CD1 LEU A 78 87.199 -2.031 5.090 1.00 1.00 C ATOM 1142 CD2 LEU A 78 85.360 -0.342 5.052 1.00 1.00 C ATOM 0 H LEU A 78 85.255 -0.604 9.238 1.00 1.00 H new ATOM 0 HA LEU A 78 84.987 -2.077 6.746 1.00 1.00 H new ATOM 0 HB2 LEU A 78 86.292 0.208 7.554 1.00 1.00 H new ATOM 0 HB3 LEU A 78 87.625 -0.929 7.587 1.00 1.00 H new ATOM 0 HG LEU A 78 87.451 0.092 5.350 1.00 1.00 H new ATOM 0 HD11 LEU A 78 87.267 -1.982 4.003 1.00 1.00 H new ATOM 0 HD12 LEU A 78 88.178 -2.274 5.504 1.00 1.00 H new ATOM 0 HD13 LEU A 78 86.483 -2.803 5.374 1.00 1.00 H new ATOM 0 HD21 LEU A 78 85.427 -0.293 3.965 1.00 1.00 H new ATOM 0 HD22 LEU A 78 84.645 -1.114 5.337 1.00 1.00 H new ATOM 0 HD23 LEU A 78 85.027 0.621 5.439 1.00 1.00 H new ATOM 1154 N HIS A 79 85.836 -4.090 8.552 1.00 1.00 N ATOM 1155 CA HIS A 79 86.547 -5.359 8.890 1.00 1.00 C ATOM 1156 C HIS A 79 85.702 -6.161 9.889 1.00 1.00 C ATOM 1157 O HIS A 79 86.041 -6.280 11.049 1.00 1.00 O ATOM 1158 CB HIS A 79 87.917 -5.032 9.510 1.00 1.00 C ATOM 1159 CG HIS A 79 88.988 -5.184 8.465 1.00 1.00 C ATOM 1160 ND1 HIS A 79 89.976 -4.229 8.275 1.00 1.00 N ATOM 1161 CD2 HIS A 79 89.240 -6.174 7.546 1.00 1.00 C ATOM 1162 CE1 HIS A 79 90.770 -4.658 7.278 1.00 1.00 C ATOM 1163 NE2 HIS A 79 90.365 -5.837 6.800 1.00 1.00 N ATOM 0 H HIS A 79 84.869 -4.037 8.871 1.00 1.00 H new ATOM 0 HA HIS A 79 86.696 -5.949 7.986 1.00 1.00 H new ATOM 0 HB2 HIS A 79 87.918 -4.015 9.902 1.00 1.00 H new ATOM 0 HB3 HIS A 79 88.116 -5.697 10.350 1.00 1.00 H new ATOM 0 HD2 HIS A 79 88.656 -7.074 7.422 1.00 1.00 H new ATOM 0 HE1 HIS A 79 91.629 -4.116 6.910 1.00 1.00 H new ATOM 0 HE2 HIS A 79 90.791 -6.377 6.047 1.00 1.00 H new ATOM 1172 N GLU A 80 84.601 -6.710 9.448 1.00 1.00 N ATOM 1173 CA GLU A 80 83.742 -7.496 10.374 1.00 1.00 C ATOM 1174 C GLU A 80 82.596 -8.144 9.593 1.00 1.00 C ATOM 1175 O GLU A 80 82.392 -9.341 9.646 1.00 1.00 O ATOM 1176 CB GLU A 80 83.166 -6.558 11.438 1.00 1.00 C ATOM 1177 CG GLU A 80 82.048 -7.270 12.202 1.00 1.00 C ATOM 1178 CD GLU A 80 80.724 -7.087 11.458 1.00 1.00 C ATOM 1179 OE1 GLU A 80 80.382 -5.952 11.168 1.00 1.00 O ATOM 1180 OE2 GLU A 80 80.073 -8.084 11.192 1.00 1.00 O ATOM 0 H GLU A 80 84.262 -6.647 8.488 1.00 1.00 H new ATOM 0 HA GLU A 80 84.337 -8.276 10.850 1.00 1.00 H new ATOM 0 HB2 GLU A 80 83.951 -6.249 12.128 1.00 1.00 H new ATOM 0 HB3 GLU A 80 82.780 -5.653 10.969 1.00 1.00 H new ATOM 0 HG2 GLU A 80 82.279 -8.331 12.300 1.00 1.00 H new ATOM 0 HG3 GLU A 80 81.969 -6.866 13.211 1.00 1.00 H new ATOM 1187 N LEU A 81 81.837 -7.359 8.879 1.00 1.00 N ATOM 1188 CA LEU A 81 80.694 -7.921 8.104 1.00 1.00 C ATOM 1189 C LEU A 81 81.185 -8.457 6.758 1.00 1.00 C ATOM 1190 O LEU A 81 80.735 -9.481 6.287 1.00 1.00 O ATOM 1191 CB LEU A 81 79.659 -6.819 7.864 1.00 1.00 C ATOM 1192 CG LEU A 81 80.320 -5.636 7.154 1.00 1.00 C ATOM 1193 CD1 LEU A 81 79.964 -5.670 5.666 1.00 1.00 C ATOM 1194 CD2 LEU A 81 79.816 -4.328 7.767 1.00 1.00 C ATOM 0 H LEU A 81 81.959 -6.350 8.798 1.00 1.00 H new ATOM 0 HA LEU A 81 80.244 -8.737 8.669 1.00 1.00 H new ATOM 0 HB2 LEU A 81 78.837 -7.204 7.261 1.00 1.00 H new ATOM 0 HB3 LEU A 81 79.233 -6.494 8.813 1.00 1.00 H new ATOM 0 HG LEU A 81 81.402 -5.701 7.271 1.00 1.00 H new ATOM 0 HD11 LEU A 81 80.435 -4.827 5.160 1.00 1.00 H new ATOM 0 HD12 LEU A 81 80.321 -6.602 5.228 1.00 1.00 H new ATOM 0 HD13 LEU A 81 78.882 -5.605 5.549 1.00 1.00 H new ATOM 0 HD21 LEU A 81 80.286 -3.484 7.262 1.00 1.00 H new ATOM 0 HD22 LEU A 81 78.734 -4.264 7.649 1.00 1.00 H new ATOM 0 HD23 LEU A 81 80.068 -4.302 8.827 1.00 1.00 H new ATOM 1206 N ALA A 82 82.099 -7.770 6.130 1.00 1.00 N ATOM 1207 CA ALA A 82 82.606 -8.244 4.813 1.00 1.00 C ATOM 1208 C ALA A 82 83.380 -9.549 5.001 1.00 1.00 C ATOM 1209 O ALA A 82 83.369 -10.139 6.062 1.00 1.00 O ATOM 1210 CB ALA A 82 83.534 -7.184 4.215 1.00 1.00 C ATOM 0 H ALA A 82 82.515 -6.904 6.471 1.00 1.00 H new ATOM 0 HA ALA A 82 81.765 -8.415 4.141 1.00 1.00 H new ATOM 0 HB1 ALA A 82 83.907 -7.529 3.250 1.00 1.00 H new ATOM 0 HB2 ALA A 82 82.983 -6.253 4.079 1.00 1.00 H new ATOM 0 HB3 ALA A 82 84.374 -7.014 4.889 1.00 1.00 H new ATOM 1216 N GLN A 83 84.055 -9.998 3.976 1.00 1.00 N ATOM 1217 CA GLN A 83 84.843 -11.262 4.082 1.00 1.00 C ATOM 1218 C GLN A 83 83.907 -12.474 4.042 1.00 1.00 C ATOM 1219 O GLN A 83 83.994 -13.359 4.869 1.00 1.00 O ATOM 1220 CB GLN A 83 85.634 -11.269 5.399 1.00 1.00 C ATOM 1221 CG GLN A 83 86.858 -12.175 5.255 1.00 1.00 C ATOM 1222 CD GLN A 83 87.390 -12.540 6.642 1.00 1.00 C ATOM 1223 OE1 GLN A 83 88.319 -11.927 7.130 1.00 1.00 O ATOM 1224 NE2 GLN A 83 86.836 -13.519 7.304 1.00 1.00 N ATOM 0 H GLN A 83 84.095 -9.541 3.065 1.00 1.00 H new ATOM 0 HA GLN A 83 85.534 -11.318 3.241 1.00 1.00 H new ATOM 0 HB2 GLN A 83 85.946 -10.256 5.653 1.00 1.00 H new ATOM 0 HB3 GLN A 83 85.001 -11.622 6.214 1.00 1.00 H new ATOM 0 HG2 GLN A 83 86.592 -13.079 4.707 1.00 1.00 H new ATOM 0 HG3 GLN A 83 87.632 -11.669 4.679 1.00 1.00 H new ATOM 0 HE21 GLN A 83 86.056 -14.034 6.895 1.00 1.00 H new ATOM 0 HE22 GLN A 83 87.183 -13.769 8.230 1.00 1.00 H new ATOM 1233 N TYR A 84 83.022 -12.533 3.083 1.00 1.00 N ATOM 1234 CA TYR A 84 82.104 -13.705 3.001 1.00 1.00 C ATOM 1235 C TYR A 84 81.311 -13.661 1.692 1.00 1.00 C ATOM 1236 O TYR A 84 81.189 -14.655 1.003 1.00 1.00 O ATOM 1237 CB TYR A 84 81.136 -13.698 4.191 1.00 1.00 C ATOM 1238 CG TYR A 84 80.762 -15.118 4.542 1.00 1.00 C ATOM 1239 CD1 TYR A 84 79.772 -15.783 3.808 1.00 1.00 C ATOM 1240 CD2 TYR A 84 81.404 -15.770 5.602 1.00 1.00 C ATOM 1241 CE1 TYR A 84 79.425 -17.100 4.134 1.00 1.00 C ATOM 1242 CE2 TYR A 84 81.057 -17.086 5.927 1.00 1.00 C ATOM 1243 CZ TYR A 84 80.068 -17.751 5.193 1.00 1.00 C ATOM 1244 OH TYR A 84 79.726 -19.049 5.514 1.00 1.00 O ATOM 0 H TYR A 84 82.896 -11.826 2.358 1.00 1.00 H new ATOM 0 HA TYR A 84 82.698 -14.618 3.028 1.00 1.00 H new ATOM 0 HB2 TYR A 84 81.600 -13.210 5.048 1.00 1.00 H new ATOM 0 HB3 TYR A 84 80.242 -13.125 3.943 1.00 1.00 H new ATOM 0 HD1 TYR A 84 79.276 -15.280 2.991 1.00 1.00 H new ATOM 0 HD2 TYR A 84 82.167 -15.257 6.169 1.00 1.00 H new ATOM 0 HE1 TYR A 84 78.661 -17.613 3.568 1.00 1.00 H new ATOM 0 HE2 TYR A 84 81.552 -17.589 6.744 1.00 1.00 H new ATOM 0 HH TYR A 84 80.268 -19.352 6.272 1.00 1.00 H new ATOM 1254 N GLY A 85 80.764 -12.528 1.338 1.00 1.00 N ATOM 1255 CA GLY A 85 79.982 -12.460 0.072 1.00 1.00 C ATOM 1256 C GLY A 85 79.810 -11.006 -0.364 1.00 1.00 C ATOM 1257 O GLY A 85 79.470 -10.732 -1.496 1.00 1.00 O ATOM 0 H GLY A 85 80.824 -11.657 1.865 1.00 1.00 H new ATOM 0 HA2 GLY A 85 80.491 -13.024 -0.709 1.00 1.00 H new ATOM 0 HA3 GLY A 85 79.005 -12.923 0.214 1.00 1.00 H new ATOM 1261 N ILE A 86 80.036 -10.073 0.519 1.00 1.00 N ATOM 1262 CA ILE A 86 79.877 -8.642 0.140 1.00 1.00 C ATOM 1263 C ILE A 86 78.439 -8.406 -0.330 1.00 1.00 C ATOM 1264 O ILE A 86 77.958 -9.050 -1.242 1.00 1.00 O ATOM 1265 CB ILE A 86 80.858 -8.299 -0.986 1.00 1.00 C ATOM 1266 CG1 ILE A 86 82.256 -8.798 -0.613 1.00 1.00 C ATOM 1267 CG2 ILE A 86 80.897 -6.783 -1.186 1.00 1.00 C ATOM 1268 CD1 ILE A 86 83.207 -8.581 -1.791 1.00 1.00 C ATOM 0 H ILE A 86 80.323 -10.239 1.484 1.00 1.00 H new ATOM 0 HA ILE A 86 80.087 -8.005 0.999 1.00 1.00 H new ATOM 0 HB ILE A 86 80.533 -8.779 -1.909 1.00 1.00 H new ATOM 0 HG12 ILE A 86 82.621 -8.266 0.265 1.00 1.00 H new ATOM 0 HG13 ILE A 86 82.219 -9.856 -0.352 1.00 1.00 H new ATOM 0 HG21 ILE A 86 81.595 -6.540 -1.987 1.00 1.00 H new ATOM 0 HG22 ILE A 86 79.902 -6.425 -1.450 1.00 1.00 H new ATOM 0 HG23 ILE A 86 81.222 -6.302 -0.263 1.00 1.00 H new ATOM 0 HD11 ILE A 86 84.203 -8.936 -1.525 1.00 1.00 H new ATOM 0 HD12 ILE A 86 82.844 -9.133 -2.658 1.00 1.00 H new ATOM 0 HD13 ILE A 86 83.253 -7.519 -2.031 1.00 1.00 H new ATOM 1280 N CYS A 87 77.744 -7.492 0.290 1.00 1.00 N ATOM 1281 CA CYS A 87 76.336 -7.224 -0.118 1.00 1.00 C ATOM 1282 C CYS A 87 76.291 -6.930 -1.619 1.00 1.00 C ATOM 1283 CB CYS A 87 75.798 -6.020 0.667 1.00 1.00 C ATOM 1284 SG CYS A 87 74.509 -5.193 -0.298 1.00 1.00 S ATOM 0 H CYS A 87 78.090 -6.920 1.060 1.00 1.00 H new ATOM 0 HA CYS A 87 75.718 -8.096 0.096 1.00 1.00 H new ATOM 0 HB2 CYS A 87 75.395 -6.348 1.625 1.00 1.00 H new ATOM 0 HB3 CYS A 87 76.608 -5.323 0.884 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 57.044 -10.235 2.561 1.00 1.00 C HETATM 1291 O1G RCY A 110 56.535 -10.755 4.424 1.00 1.00 O HETATM 1292 O1H RCY A 110 56.316 -6.326 6.049 1.00 1.00 O HETATM 1293 O1J RCY A 110 54.306 -9.305 1.719 1.00 1.00 O HETATM 1294 C1L RCY A 110 55.820 -9.786 6.554 1.00 1.00 C HETATM 1295 C1M RCY A 110 56.679 -6.579 3.001 1.00 1.00 C HETATM 1296 C1P RCY A 110 56.392 -9.758 5.131 1.00 1.00 C HETATM 1297 C1Q RCY A 110 56.491 -7.541 5.970 1.00 1.00 C HETATM 1298 N1R RCY A 110 56.761 -8.340 4.700 1.00 1.00 N HETATM 1299 C1S RCY A 110 56.478 -8.525 7.125 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.271 -7.839 3.348 1.00 1.00 C HETATM 1301 C1V RCY A 110 57.640 -8.408 0.908 1.00 1.00 C HETATM 1302 N1V RCY A 110 55.409 -8.408 2.047 1.00 1.00 N HETATM 1303 C1W RCY A 110 55.342 -6.907 2.324 1.00 1.00 C HETATM 1304 C1X RCY A 110 56.884 -8.759 2.191 1.00 1.00 C HETATM 1305 C1Y RCY A 110 55.196 -6.127 1.014 1.00 1.00 C HETATM 1306 C1Z RCY A 110 54.163 -6.622 3.255 1.00 1.00 C HETATM 0 H1ZB RCY A 110 54.254 -7.231 4.155 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 54.163 -5.567 3.529 1.00 1.00 H new HETATM 0 H1YA RCY A 110 56.009 -6.395 0.339 1.00 1.00 H new HETATM 0 H1VB RCY A 110 58.702 -8.613 1.044 1.00 1.00 H new HETATM 0 H1VA RCY A 110 57.257 -9.010 0.084 1.00 1.00 H new HETATM 0 H1MA RCY A 110 56.526 -5.963 3.887 1.00 1.00 H new HETATM 0 H1LA RCY A 110 54.731 -9.732 6.568 1.00 1.00 H new HETATM 0 H1CB RCY A 110 58.083 -10.434 2.823 1.00 1.00 H new HETATM 0 H1CA RCY A 110 56.404 -10.468 3.412 1.00 1.00 H new HETATM 0 H1Z RCY A 110 53.230 -6.865 2.746 1.00 1.00 H new HETATM 0 H1V RCY A 110 57.500 -7.351 0.681 1.00 1.00 H new HETATM 0 H1U RCY A 110 58.352 -7.783 3.472 1.00 1.00 H new HETATM 0 H1S RCY A 110 57.487 -8.731 7.481 1.00 1.00 H new HETATM 0 H1M RCY A 110 57.327 -6.016 2.330 1.00 1.00 H new HETATM 0 H1L RCY A 110 56.101 -10.687 7.099 1.00 1.00 H new HETATM 0 H1C RCY A 110 56.759 -10.856 1.712 1.00 1.00 H new HETATM 1309 C1C RCY A 121 67.736 -5.488 -9.553 1.00 1.00 C HETATM 1310 O1G RCY A 121 63.539 -3.402 -12.295 1.00 1.00 O HETATM 1311 O1H RCY A 121 65.275 -7.158 -10.019 1.00 1.00 O HETATM 1312 O1J RCY A 121 68.346 -3.360 -7.510 1.00 1.00 O HETATM 1313 C1L RCY A 121 63.052 -5.797 -12.403 1.00 1.00 C HETATM 1314 C1M RCY A 121 65.032 -2.966 -9.400 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.792 -4.544 -11.917 1.00 1.00 C HETATM 1316 C1Q RCY A 121 64.835 -6.415 -10.896 1.00 1.00 C HETATM 1317 N1R RCY A 121 64.882 -4.892 -10.904 1.00 1.00 N HETATM 1318 C1S RCY A 121 64.142 -6.850 -12.174 1.00 1.00 C HETATM 1319 C1U RCY A 121 65.792 -3.961 -10.101 1.00 1.00 C HETATM 1320 C1V RCY A 121 65.632 -5.554 -8.140 1.00 1.00 C HETATM 1321 N1V RCY A 121 67.060 -3.498 -8.189 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.922 -2.482 -8.248 1.00 1.00 C HETATM 1323 C1X RCY A 121 66.557 -4.687 -8.996 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.141 -2.476 -6.931 1.00 1.00 C HETATM 1325 C1Z RCY A 121 66.501 -1.097 -8.537 1.00 1.00 C HETATM 0 H1ZB RCY A 121 67.102 -1.136 -9.446 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 65.688 -0.383 -8.670 1.00 1.00 H new HETATM 0 H1YB RCY A 121 64.284 -1.809 -7.019 1.00 1.00 H new HETATM 0 H1YA RCY A 121 64.794 -3.485 -6.709 1.00 1.00 H new HETATM 0 H1VB RCY A 121 65.235 -6.369 -8.745 1.00 1.00 H new HETATM 0 H1VA RCY A 121 66.192 -5.965 -7.300 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.768 -2.141 -10.061 1.00 1.00 H new HETATM 0 H1LA RCY A 121 62.149 -5.999 -11.826 1.00 1.00 H new HETATM 0 H1CB RCY A 121 67.369 -6.232 -10.260 1.00 1.00 H new HETATM 0 H1CA RCY A 121 68.426 -4.814 -10.061 1.00 1.00 H new HETATM 0 H1Z RCY A 121 67.127 -0.783 -7.702 1.00 1.00 H new HETATM 0 H1Y RCY A 121 65.789 -2.130 -6.125 1.00 1.00 H new HETATM 0 H1V RCY A 121 64.809 -4.947 -7.764 1.00 1.00 H new HETATM 0 H1U RCY A 121 66.467 -3.538 -10.845 1.00 1.00 H new HETATM 0 H1S RCY A 121 64.840 -6.886 -13.010 1.00 1.00 H new HETATM 0 H1M RCY A 121 64.099 -3.383 -9.022 1.00 1.00 H new HETATM 0 H1L RCY A 121 62.753 -5.726 -13.449 1.00 1.00 H new HETATM 0 H1C RCY A 121 68.254 -5.989 -8.735 1.00 1.00 H new HETATM 1328 C1C RCY A 130 80.703 3.816 -5.193 1.00 1.00 C HETATM 1329 O1G RCY A 130 82.035 3.607 -6.888 1.00 1.00 O HETATM 1330 O1H RCY A 130 79.138 6.052 -9.704 1.00 1.00 O HETATM 1331 O1J RCY A 130 82.981 5.773 -4.967 1.00 1.00 O HETATM 1332 C1L RCY A 130 81.759 3.717 -9.317 1.00 1.00 C HETATM 1333 C1M RCY A 130 79.774 7.116 -6.585 1.00 1.00 C HETATM 1334 C1P RCY A 130 81.426 4.056 -7.858 1.00 1.00 C HETATM 1335 C1Q RCY A 130 79.818 5.150 -9.217 1.00 1.00 C HETATM 1336 N1R RCY A 130 80.245 5.020 -7.760 1.00 1.00 N HETATM 1337 C1S RCY A 130 80.388 3.956 -9.960 1.00 1.00 C HETATM 1338 C1U RCY A 130 79.640 5.689 -6.524 1.00 1.00 C HETATM 1339 C1V RCY A 130 79.571 5.741 -3.993 1.00 1.00 C HETATM 1340 N1V RCY A 130 81.626 6.138 -5.369 1.00 1.00 N HETATM 1341 C1W RCY A 130 81.164 7.439 -6.022 1.00 1.00 C HETATM 1342 C1X RCY A 130 80.358 5.306 -5.231 1.00 1.00 C HETATM 1343 C1Y RCY A 130 81.077 8.559 -4.981 1.00 1.00 C HETATM 1344 C1Z RCY A 130 82.141 7.815 -7.136 1.00 1.00 C HETATM 0 H1ZB RCY A 130 82.235 6.983 -7.834 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 81.769 8.692 -7.665 1.00 1.00 H new HETATM 0 H1YB RCY A 130 80.667 9.456 -5.445 1.00 1.00 H new HETATM 0 H1YA RCY A 130 80.429 8.245 -4.163 1.00 1.00 H new HETATM 0 H1VB RCY A 130 78.640 5.177 -3.937 1.00 1.00 H new HETATM 0 H1VA RCY A 130 80.165 5.551 -3.099 1.00 1.00 H new HETATM 0 H1MA RCY A 130 79.677 7.473 -7.610 1.00 1.00 H new HETATM 0 H1LA RCY A 130 82.533 4.364 -9.730 1.00 1.00 H new HETATM 0 H1CB RCY A 130 79.787 3.229 -5.263 1.00 1.00 H new HETATM 0 H1CA RCY A 130 81.355 3.572 -6.032 1.00 1.00 H new HETATM 0 H1Z RCY A 130 83.117 8.038 -6.704 1.00 1.00 H new HETATM 0 H1Y RCY A 130 82.073 8.774 -4.593 1.00 1.00 H new HETATM 0 H1V RCY A 130 79.346 6.806 -4.060 1.00 1.00 H new HETATM 0 H1U RCY A 130 78.602 5.357 -6.520 1.00 1.00 H new HETATM 0 H1S RCY A 130 79.745 3.082 -9.858 1.00 1.00 H new HETATM 0 H1M RCY A 130 78.994 7.606 -6.002 1.00 1.00 H new HETATM 0 H1L RCY A 130 82.104 2.690 -9.439 1.00 1.00 H new HETATM 0 H1C RCY A 130 81.212 3.584 -4.258 1.00 1.00 H new HETATM 1347 C1C RCY A 138 81.647 0.445 -0.372 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.728 1.973 0.365 1.00 1.00 O HETATM 1349 O1H RCY A 138 86.474 0.380 -3.131 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.266 -1.871 -1.715 1.00 1.00 O HETATM 1351 C1L RCY A 138 86.077 2.336 -0.218 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.836 -1.132 -2.905 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.680 1.721 -0.372 1.00 1.00 C HETATM 1354 C1Q RCY A 138 86.067 0.736 -2.027 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.618 0.755 -1.555 1.00 1.00 N HETATM 1356 C1S RCY A 138 86.921 1.239 -0.877 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.418 -0.002 -2.126 1.00 1.00 C HETATM 1358 C1V RCY A 138 83.346 -1.404 -0.019 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.681 -1.552 -1.884 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.639 -2.090 -2.946 1.00 1.00 C HETATM 1361 C1X RCY A 138 82.530 -0.610 -1.042 1.00 1.00 C HETATM 1362 C1Y RCY A 138 83.078 -3.515 -2.598 1.00 1.00 C HETATM 1363 C1Z RCY A 138 81.946 -2.056 -4.308 1.00 1.00 C HETATM 0 H1ZB RCY A 138 81.588 -1.046 -4.509 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 82.653 -2.352 -5.083 1.00 1.00 H new HETATM 0 H1YB RCY A 138 83.825 -3.852 -3.317 1.00 1.00 H new HETATM 0 H1YA RCY A 138 83.507 -3.529 -1.596 1.00 1.00 H new HETATM 0 H1VB RCY A 138 83.990 -0.724 0.539 1.00 1.00 H new HETATM 0 H1VA RCY A 138 82.671 -1.912 0.670 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.124 -0.826 -3.911 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.276 1.207 0.089 1.00 1.00 H new HETATM 0 H1Z RCY A 138 81.102 -2.746 -4.304 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.215 -4.180 -2.632 1.00 1.00 H new HETATM 0 H1V RCY A 138 83.959 -2.142 -0.536 1.00 1.00 H new HETATM 0 H1U RCY A 138 82.882 0.746 -2.711 1.00 1.00 H new HETATM 0 H1S RCY A 138 87.149 0.438 -0.173 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.705 -1.614 -2.457 1.00 1.00 H new HETATM 1366 C1C RCY A 150 85.554 4.540 -1.649 1.00 1.00 C HETATM 1367 O1G RCY A 150 88.056 7.663 -0.688 1.00 1.00 O HETATM 1368 O1H RCY A 150 83.761 7.790 1.271 1.00 1.00 O HETATM 1369 O1J RCY A 150 85.132 2.048 -0.012 1.00 1.00 O HETATM 1370 C1L RCY A 150 86.436 9.459 -0.319 1.00 1.00 C HETATM 1371 C1M RCY A 150 85.662 5.285 1.974 1.00 1.00 C HETATM 1372 C1P RCY A 150 86.948 8.013 -0.286 1.00 1.00 C HETATM 1373 C1Q RCY A 150 84.717 7.987 0.523 1.00 1.00 C HETATM 1374 N1R RCY A 150 85.910 7.063 0.309 1.00 1.00 N HETATM 1375 C1S RCY A 150 84.926 9.202 -0.362 1.00 1.00 C HETATM 1376 C1U RCY A 150 86.027 5.569 0.616 1.00 1.00 C HETATM 1377 C1V RCY A 150 83.635 5.260 -0.156 1.00 1.00 C HETATM 1378 N1V RCY A 150 85.156 3.397 0.544 1.00 1.00 N HETATM 1379 C1W RCY A 150 85.279 3.800 2.012 1.00 1.00 C HETATM 1380 C1X RCY A 150 85.065 4.717 -0.210 1.00 1.00 C HETATM 1381 C1Y RCY A 150 83.943 3.607 2.734 1.00 1.00 C HETATM 1382 C1Z RCY A 150 86.374 2.961 2.671 1.00 1.00 C HETATM 0 H1ZB RCY A 150 87.301 3.066 2.108 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 86.530 3.305 3.693 1.00 1.00 H new HETATM 0 H1YB RCY A 150 84.025 3.977 3.756 1.00 1.00 H new HETATM 0 H1YA RCY A 150 83.163 4.159 2.210 1.00 1.00 H new HETATM 0 H1VB RCY A 150 83.595 6.230 -0.652 1.00 1.00 H new HETATM 0 H1VA RCY A 150 82.963 4.566 -0.662 1.00 1.00 H new HETATM 0 H1MA RCY A 150 86.491 5.491 2.651 1.00 1.00 H new HETATM 0 H1LA RCY A 150 86.737 10.029 0.560 1.00 1.00 H new HETATM 0 H1CB RCY A 150 85.642 5.516 -2.126 1.00 1.00 H new HETATM 0 H1CA RCY A 150 86.527 4.049 -1.645 1.00 1.00 H new HETATM 0 H1Z RCY A 150 86.072 1.914 2.683 1.00 1.00 H new HETATM 0 H1Y RCY A 150 83.688 2.547 2.751 1.00 1.00 H new HETATM 0 H1V RCY A 150 83.327 5.371 0.884 1.00 1.00 H new HETATM 0 H1U RCY A 150 87.067 5.330 0.394 1.00 1.00 H new HETATM 0 H1S RCY A 150 84.585 9.014 -1.380 1.00 1.00 H new HETATM 0 H1M RCY A 150 84.828 5.911 2.292 1.00 1.00 H new HETATM 0 H1L RCY A 150 86.791 10.008 -1.191 1.00 1.00 H new HETATM 0 H1C RCY A 150 84.842 3.928 -2.203 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.446 3.451 -4.598 1.00 1.00 C HETATM 1386 O1G RCY A 160 73.637 4.528 -6.202 1.00 1.00 O HETATM 1387 O1H RCY A 160 69.573 2.123 -6.174 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.292 5.948 -3.373 1.00 1.00 O HETATM 1389 C1L RCY A 160 71.831 4.272 -7.833 1.00 1.00 C HETATM 1390 C1M RCY A 160 71.028 2.854 -3.311 1.00 1.00 C HETATM 1391 C1P RCY A 160 72.565 4.010 -6.512 1.00 1.00 C HETATM 1392 C1Q RCY A 160 70.637 2.628 -6.529 1.00 1.00 C HETATM 1393 N1R RCY A 160 71.799 3.027 -5.629 1.00 1.00 N HETATM 1394 C1S RCY A 160 71.036 2.968 -7.954 1.00 1.00 C HETATM 1395 C1U RCY A 160 72.110 2.557 -4.206 1.00 1.00 C HETATM 1396 C1V RCY A 160 73.780 2.602 -2.303 1.00 1.00 C HETATM 1397 N1V RCY A 160 72.675 4.629 -3.276 1.00 1.00 N HETATM 1398 C1W RCY A 160 71.252 4.294 -2.834 1.00 1.00 C HETATM 1399 C1X RCY A 160 73.307 3.280 -3.591 1.00 1.00 C HETATM 1400 C1Y RCY A 160 71.129 4.382 -1.310 1.00 1.00 C HETATM 1401 C1Z RCY A 160 70.278 5.260 -3.510 1.00 1.00 C HETATM 0 H1ZB RCY A 160 70.422 5.226 -4.590 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 69.254 4.971 -3.271 1.00 1.00 H new HETATM 0 H1YB RCY A 160 70.133 4.060 -1.006 1.00 1.00 H new HETATM 0 H1YA RCY A 160 71.875 3.737 -0.847 1.00 1.00 H new HETATM 0 H1MA RCY A 160 70.067 2.756 -3.816 1.00 1.00 H new HETATM 0 H1LA RCY A 160 71.187 5.150 -7.786 1.00 1.00 H new HETATM 0 H1CB RCY A 160 74.778 2.471 -4.942 1.00 1.00 H new HETATM 0 H1CA RCY A 160 74.095 4.034 -5.449 1.00 1.00 H new HETATM 0 H1Z RCY A 160 70.462 6.273 -3.151 1.00 1.00 H new HETATM 0 H1Y RCY A 160 71.291 5.411 -0.991 1.00 1.00 H new HETATM 0 H1U RCY A 160 72.298 1.488 -4.310 1.00 1.00 H new HETATM 0 H1S RCY A 160 71.640 2.175 -8.396 1.00 1.00 H new HETATM 0 H1M RCY A 160 71.018 2.162 -2.469 1.00 1.00 H new HETATM 0 H1L RCY A 160 72.515 4.423 -8.668 1.00 1.00 H new HETATM 0 H1C RCY A 160 75.278 3.969 -4.122 1.00 1.00 H new HETATM 1404 C1C RCY A 168 74.781 2.596 -2.323 1.00 1.00 C HETATM 1405 O1G RCY A 168 74.415 3.957 1.604 1.00 1.00 O HETATM 1406 O1H RCY A 168 70.732 1.621 -0.206 1.00 1.00 O HETATM 1407 O1J RCY A 168 75.685 -0.166 -3.111 1.00 1.00 O HETATM 1408 C1L RCY A 168 71.996 4.311 1.700 1.00 1.00 C HETATM 1409 C1M RCY A 168 73.569 0.056 0.079 1.00 1.00 C HETATM 1410 C1P RCY A 168 73.286 3.609 1.261 1.00 1.00 C HETATM 1411 C1Q RCY A 168 71.486 2.519 0.164 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.996 2.422 0.343 1.00 1.00 N HETATM 1413 C1S RCY A 168 71.081 3.935 0.530 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.964 1.395 -0.249 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.570 1.355 -2.363 1.00 1.00 C HETATM 1416 N1V RCY A 168 74.719 0.107 -2.051 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.222 -0.852 -0.971 1.00 1.00 C HETATM 1418 C1X RCY A 168 73.982 1.411 -1.777 1.00 1.00 C HETATM 1419 C1Y RCY A 168 73.195 -1.828 -1.552 1.00 1.00 C HETATM 1420 C1Z RCY A 168 75.414 -1.609 -0.386 1.00 1.00 C HETATM 0 H1ZB RCY A 168 76.159 -0.897 -0.032 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 75.079 -2.227 0.447 1.00 1.00 H new HETATM 0 H1YB RCY A 168 72.789 -2.448 -0.752 1.00 1.00 H new HETATM 0 H1YA RCY A 168 72.387 -1.268 -2.023 1.00 1.00 H new HETATM 0 H1VA RCY A 168 72.630 1.255 -3.447 1.00 1.00 H new HETATM 0 H1MA RCY A 168 73.897 -0.212 1.083 1.00 1.00 H new HETATM 0 H1LA RCY A 168 71.624 3.942 2.656 1.00 1.00 H new HETATM 0 H1CA RCY A 168 75.810 2.535 -1.969 1.00 1.00 H new HETATM 0 H1Z RCY A 168 75.855 -2.244 -1.155 1.00 1.00 H new HETATM 0 H1Y RCY A 168 73.677 -2.464 -2.295 1.00 1.00 H new HETATM 0 H1V RCY A 168 72.038 0.499 -1.949 1.00 1.00 H new HETATM 0 H1U RCY A 168 74.934 1.668 0.167 1.00 1.00 H new HETATM 0 H1S RCY A 168 71.214 4.615 -0.311 1.00 1.00 H new HETATM 0 H1M RCY A 168 72.484 -0.045 0.061 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.121 5.389 1.802 1.00 1.00 H new HETATM 1423 C1C RCY A 173 73.301 -0.057 3.553 1.00 1.00 C HETATM 1424 O1G RCY A 173 71.024 -1.265 6.286 1.00 1.00 O HETATM 1425 O1H RCY A 173 74.235 -4.493 5.034 1.00 1.00 O HETATM 1426 O1J RCY A 173 71.804 0.186 0.951 1.00 1.00 O HETATM 1427 C1L RCY A 173 72.395 -2.844 7.557 1.00 1.00 C HETATM 1428 C1M RCY A 173 71.115 -2.989 2.989 1.00 1.00 C HETATM 1429 C1P RCY A 173 71.849 -2.177 6.288 1.00 1.00 C HETATM 1430 C1Q RCY A 173 73.302 -3.920 5.595 1.00 1.00 C HETATM 1431 N1R RCY A 173 72.458 -2.786 5.026 1.00 1.00 N HETATM 1432 C1S RCY A 173 72.778 -4.215 6.988 1.00 1.00 C HETATM 1433 C1U RCY A 173 72.275 -2.372 3.564 1.00 1.00 C HETATM 1434 C1V RCY A 173 70.912 -0.383 4.336 1.00 1.00 C HETATM 1435 N1V RCY A 173 71.539 -0.841 1.955 1.00 1.00 N HETATM 1436 C1W RCY A 173 70.719 -2.119 1.789 1.00 1.00 C HETATM 1437 C1X RCY A 173 72.017 -0.875 3.400 1.00 1.00 C HETATM 1438 C1Y RCY A 173 69.221 -1.803 1.825 1.00 1.00 C HETATM 1439 C1Z RCY A 173 71.097 -2.788 0.468 1.00 1.00 C HETATM 0 H1ZB RCY A 173 72.174 -2.950 0.437 1.00 1.00 H new HETATM 0 H1YA RCY A 173 68.984 -1.266 2.744 1.00 1.00 H new HETATM 0 H1VB RCY A 173 71.247 -0.465 5.370 1.00 1.00 H new HETATM 0 H1MA RCY A 173 71.332 -4.010 2.675 1.00 1.00 H new HETATM 0 H1LA RCY A 173 73.250 -2.311 7.974 1.00 1.00 H new HETATM 0 H1CA RCY A 173 74.021 -0.365 2.795 1.00 1.00 H new HETATM 0 H1V RCY A 173 70.018 -0.991 4.195 1.00 1.00 H new HETATM 0 H1U RCY A 173 73.204 -2.674 3.080 1.00 1.00 H new HETATM 0 H1S RCY A 173 71.918 -4.884 6.954 1.00 1.00 H new HETATM 0 H1M RCY A 173 70.303 -3.044 3.714 1.00 1.00 H new HETATM 1442 C1C RCY A 176 74.181 4.054 6.760 1.00 1.00 C HETATM 1443 O1G RCY A 176 77.972 4.447 4.236 1.00 1.00 O HETATM 1444 O1H RCY A 176 77.171 1.064 7.431 1.00 1.00 O HETATM 1445 O1J RCY A 176 71.847 2.548 5.596 1.00 1.00 O HETATM 1446 C1L RCY A 176 79.365 3.406 5.957 1.00 1.00 C HETATM 1447 C1M RCY A 176 75.323 1.362 4.492 1.00 1.00 C HETATM 1448 C1P RCY A 176 78.073 3.650 5.167 1.00 1.00 C HETATM 1449 C1Q RCY A 176 77.562 2.094 6.883 1.00 1.00 C HETATM 1450 N1R RCY A 176 76.926 2.781 5.681 1.00 1.00 N HETATM 1451 C1S RCY A 176 78.772 2.917 7.284 1.00 1.00 C HETATM 1452 C1U RCY A 176 75.504 2.631 5.137 1.00 1.00 C HETATM 1453 C1V RCY A 176 74.791 1.670 7.368 1.00 1.00 C HETATM 1454 N1V RCY A 176 73.240 2.133 5.457 1.00 1.00 N HETATM 1455 C1W RCY A 176 73.813 1.093 4.497 1.00 1.00 C HETATM 1456 C1X RCY A 176 74.444 2.641 6.237 1.00 1.00 C HETATM 1457 C1Y RCY A 176 73.520 -0.323 5.003 1.00 1.00 C HETATM 1458 C1Z RCY A 176 73.207 1.305 3.109 1.00 1.00 C HETATM 0 H1YA RCY A 176 73.902 -0.433 6.018 1.00 1.00 H new HETATM 0 H1VB RCY A 176 75.688 2.016 7.882 1.00 1.00 H new HETATM 0 H1VA RCY A 176 73.962 1.624 8.075 1.00 1.00 H new HETATM 0 H1MA RCY A 176 75.711 1.384 3.474 1.00 1.00 H new HETATM 0 H1LA RCY A 176 80.007 2.661 5.487 1.00 1.00 H new HETATM 0 H1CB RCY A 176 75.103 4.468 7.170 1.00 1.00 H new HETATM 0 H1CA RCY A 176 73.832 4.685 5.943 1.00 1.00 H new HETATM 0 H1V RCY A 176 74.970 0.678 6.954 1.00 1.00 H new HETATM 0 H1U RCY A 176 75.385 3.476 4.459 1.00 1.00 H new HETATM 0 H1S RCY A 176 78.488 3.753 7.923 1.00 1.00 H new HETATM 0 H1M RCY A 176 75.861 0.576 5.022 1.00 1.00 H new HETATM 0 H1L RCY A 176 79.960 4.312 6.074 1.00 1.00 H new HETATM 0 H1C RCY A 176 73.421 4.017 7.541 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.557 -3.538 2.341 1.00 1.00 C HETATM 1462 O1G RCY A 187 74.419 -0.475 1.733 1.00 1.00 O HETATM 1463 O1H RCY A 187 77.105 -4.266 0.889 1.00 1.00 O HETATM 1464 O1J RCY A 187 79.699 -2.970 -0.387 1.00 1.00 O HETATM 1465 C1L RCY A 187 73.947 -2.688 0.802 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.801 -0.078 1.268 1.00 1.00 C HETATM 1467 C1P RCY A 187 74.835 -1.575 1.375 1.00 1.00 C HETATM 1468 C1Q RCY A 187 76.262 -3.377 0.784 1.00 1.00 C HETATM 1469 N1R RCY A 187 76.299 -2.005 1.446 1.00 1.00 N HETATM 1470 C1S RCY A 187 74.985 -3.446 -0.033 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.501 -1.258 2.028 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.904 -1.441 2.806 1.00 1.00 C HETATM 1473 N1V RCY A 187 79.118 -1.953 0.484 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.701 -0.531 0.112 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.792 -2.073 1.966 1.00 1.00 C HETATM 1476 C1Y RCY A 187 79.930 0.375 -0.001 1.00 1.00 C HETATM 1477 C1Z RCY A 187 77.933 -0.565 -1.209 1.00 1.00 C HETATM 0 H1ZB RCY A 187 77.098 -1.261 -1.127 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 77.554 0.432 -1.435 1.00 1.00 H new HETATM 0 H1YB RCY A 187 79.610 1.401 -0.184 1.00 1.00 H new HETATM 0 H1VB RCY A 187 79.632 -1.484 3.861 1.00 1.00 H new HETATM 0 H1VA RCY A 187 80.834 -1.987 2.648 1.00 1.00 H new HETATM 0 H1MA RCY A 187 76.889 0.386 0.892 1.00 1.00 H new HETATM 0 H1LA RCY A 187 73.502 -3.309 1.579 1.00 1.00 H new HETATM 0 H1CB RCY A 187 78.165 -3.595 3.356 1.00 1.00 H new HETATM 0 H1CA RCY A 187 77.840 -3.980 1.649 1.00 1.00 H new HETATM 0 H1Z RCY A 187 78.599 -0.890 -2.009 1.00 1.00 H new HETATM 0 H1V RCY A 187 80.039 -0.401 2.508 1.00 1.00 H new HETATM 0 H1U RCY A 187 77.211 -1.042 3.056 1.00 1.00 H new HETATM 0 H1S RCY A 187 75.117 -2.987 -1.013 1.00 1.00 H new HETATM 0 H1M RCY A 187 78.305 0.665 1.886 1.00 1.00 H new HETATM 0 H1L RCY A 187 73.128 -2.299 0.197 1.00 1.00 H new HETATM 0 H1C RCY A 187 79.499 -4.084 2.285 1.00 1.00 H new