USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 MET CE :methyl -156:sc= -0.616 (180deg=-2.51!) USER MOD Set 1.2: A 17 CYS SG : rot -119:sc= -2.15! USER MOD Set 1.3: A 20 THR OG1 : rot 162:sc= -0.822! USER MOD Set 1.4: A 66 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 4 THR OG1 : rot -126:sc= 1.03 USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= -2.18! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -66:sc= 0.185 USER MOD Single : A 3 GLN : amide:sc= -0.504 K(o=-0.5,f=-5.4!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 13 THR OG1 : rot -162:sc= -2.19! USER MOD Single : A 14 CYS SG : rot 180:sc= -1.27! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -126:sc= -2.16! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 68:sc= 0.0123 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 130:sc= -1.15 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 14:sc= -1.28 USER MOD Single : A 68 SER OG : rot -54:sc= -4.24! USER MOD Single : A 69 SER OG : rot 180:sc= -1.26 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.471 K(o=-0.47,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.185 1.417 0.847 1.00 0.00 N ATOM 2 CA ALA A 1 16.968 0.788 0.259 1.00 0.00 C ATOM 3 C ALA A 1 15.802 0.862 1.245 1.00 0.00 C ATOM 4 O ALA A 1 15.457 -0.109 1.879 1.00 0.00 O ATOM 5 CB ALA A 1 17.358 -0.667 0.003 1.00 0.00 C ATOM 0 H1 ALA A 1 18.969 1.359 0.166 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.989 2.415 1.066 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.447 0.916 1.720 1.00 0.00 H new ATOM 0 HA ALA A 1 16.645 1.292 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.512 -1.199 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.201 -0.702 -0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.639 -1.139 0.944 1.00 0.00 H new ATOM 13 N THR A 2 15.189 2.006 1.357 1.00 0.00 N ATOM 14 CA THR A 2 14.045 2.180 2.273 1.00 0.00 C ATOM 15 C THR A 2 13.210 3.348 1.777 1.00 0.00 C ATOM 16 O THR A 2 13.483 4.496 2.064 1.00 0.00 O ATOM 17 CB THR A 2 14.637 2.480 3.642 1.00 0.00 C ATOM 18 OG1 THR A 2 13.692 3.208 4.414 1.00 0.00 O ATOM 19 CG2 THR A 2 15.926 3.297 3.507 1.00 0.00 C ATOM 0 H THR A 2 15.445 2.845 0.836 1.00 0.00 H new ATOM 0 HA THR A 2 13.406 1.298 2.322 1.00 0.00 H new ATOM 0 HB THR A 2 14.873 1.538 4.136 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.554 4.092 4.014 1.00 0.00 H new ATOM 0 HG21 THR A 2 16.333 3.501 4.497 1.00 0.00 H new ATOM 0 HG22 THR A 2 16.655 2.734 2.924 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.709 4.239 3.003 1.00 0.00 H new ATOM 27 N GLN A 3 12.216 3.058 1.008 1.00 0.00 N ATOM 28 CA GLN A 3 11.370 4.148 0.447 1.00 0.00 C ATOM 29 C GLN A 3 9.971 4.132 1.061 1.00 0.00 C ATOM 30 O GLN A 3 9.450 3.099 1.432 1.00 0.00 O ATOM 31 CB GLN A 3 11.288 3.863 -1.057 1.00 0.00 C ATOM 32 CG GLN A 3 12.666 3.465 -1.598 1.00 0.00 C ATOM 33 CD GLN A 3 13.546 4.710 -1.733 1.00 0.00 C ATOM 34 OE1 GLN A 3 13.424 5.641 -0.963 1.00 0.00 O ATOM 35 NE2 GLN A 3 14.433 4.766 -2.690 1.00 0.00 N ATOM 0 H GLN A 3 11.944 2.113 0.737 1.00 0.00 H new ATOM 0 HA GLN A 3 11.794 5.129 0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.571 3.063 -1.244 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.925 4.746 -1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.137 2.746 -0.928 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.560 2.976 -2.566 1.00 0.00 H new ATOM 0 HE21 GLN A 3 14.535 3.984 -3.337 1.00 0.00 H new ATOM 0 HE22 GLN A 3 15.023 5.592 -2.791 1.00 0.00 H new ATOM 44 N THR A 4 9.356 5.277 1.151 1.00 0.00 N ATOM 45 CA THR A 4 7.983 5.352 1.719 1.00 0.00 C ATOM 46 C THR A 4 7.086 6.137 0.759 1.00 0.00 C ATOM 47 O THR A 4 7.348 7.281 0.443 1.00 0.00 O ATOM 48 CB THR A 4 8.137 6.097 3.046 1.00 0.00 C ATOM 49 OG1 THR A 4 9.118 5.448 3.843 1.00 0.00 O ATOM 50 CG2 THR A 4 6.800 6.107 3.788 1.00 0.00 C ATOM 0 H THR A 4 9.749 6.170 0.853 1.00 0.00 H new ATOM 0 HA THR A 4 7.531 4.371 1.865 1.00 0.00 H new ATOM 0 HB THR A 4 8.449 7.123 2.850 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.737 5.232 4.720 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.912 6.638 4.733 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.049 6.608 3.177 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.485 5.082 3.983 1.00 0.00 H new ATOM 58 N VAL A 5 6.039 5.528 0.282 1.00 0.00 N ATOM 59 CA VAL A 5 5.133 6.229 -0.671 1.00 0.00 C ATOM 60 C VAL A 5 3.692 6.149 -0.191 1.00 0.00 C ATOM 61 O VAL A 5 3.364 5.417 0.716 1.00 0.00 O ATOM 62 CB VAL A 5 5.290 5.468 -1.987 1.00 0.00 C ATOM 63 CG1 VAL A 5 6.747 5.535 -2.444 1.00 0.00 C ATOM 64 CG2 VAL A 5 4.889 4.005 -1.780 1.00 0.00 C ATOM 0 H VAL A 5 5.769 4.571 0.511 1.00 0.00 H new ATOM 0 HA VAL A 5 5.378 7.287 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 5 4.650 5.918 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.859 4.992 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.035 6.576 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.387 5.084 -1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.000 3.461 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.530 3.556 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.850 3.955 -1.453 1.00 0.00 H new ATOM 74 N THR A 6 2.832 6.877 -0.823 1.00 0.00 N ATOM 75 CA THR A 6 1.401 6.835 -0.451 1.00 0.00 C ATOM 76 C THR A 6 0.676 6.100 -1.566 1.00 0.00 C ATOM 77 O THR A 6 1.170 6.011 -2.673 1.00 0.00 O ATOM 78 CB THR A 6 0.955 8.294 -0.364 1.00 0.00 C ATOM 79 OG1 THR A 6 -0.359 8.354 0.170 1.00 0.00 O ATOM 80 CG2 THR A 6 0.970 8.916 -1.759 1.00 0.00 C ATOM 0 H THR A 6 3.060 7.508 -1.591 1.00 0.00 H new ATOM 0 HA THR A 6 1.199 6.327 0.492 1.00 0.00 H new ATOM 0 HB THR A 6 1.636 8.845 0.284 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.646 9.289 0.228 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.652 9.957 -1.697 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.979 8.869 -2.168 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.289 8.367 -2.410 1.00 0.00 H new ATOM 88 N LEU A 7 -0.463 5.550 -1.302 1.00 0.00 N ATOM 89 CA LEU A 7 -1.153 4.801 -2.380 1.00 0.00 C ATOM 90 C LEU A 7 -2.619 5.199 -2.472 1.00 0.00 C ATOM 91 O LEU A 7 -3.238 5.600 -1.507 1.00 0.00 O ATOM 92 CB LEU A 7 -1.017 3.325 -1.987 1.00 0.00 C ATOM 93 CG LEU A 7 -0.171 2.590 -3.023 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.151 3.318 -3.224 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.121 1.165 -2.543 1.00 0.00 C ATOM 0 H LEU A 7 -0.944 5.582 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.719 5.009 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.556 3.242 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.003 2.865 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.722 2.558 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.749 2.788 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.958 4.333 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.693 3.356 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.725 0.647 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.664 1.203 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.818 0.629 -2.401 1.00 0.00 H new ATOM 107 N ALA A 8 -3.175 5.076 -3.636 1.00 0.00 N ATOM 108 CA ALA A 8 -4.609 5.425 -3.822 1.00 0.00 C ATOM 109 C ALA A 8 -5.360 4.194 -4.325 1.00 0.00 C ATOM 110 O ALA A 8 -5.183 3.765 -5.446 1.00 0.00 O ATOM 111 CB ALA A 8 -4.619 6.535 -4.873 1.00 0.00 C ATOM 0 H ALA A 8 -2.698 4.747 -4.475 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.091 5.750 -2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.646 6.846 -5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.044 7.386 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.174 6.165 -5.797 1.00 0.00 H new ATOM 117 N VAL A 9 -6.186 3.608 -3.506 1.00 0.00 N ATOM 118 CA VAL A 9 -6.925 2.385 -3.948 1.00 0.00 C ATOM 119 C VAL A 9 -8.432 2.655 -4.103 1.00 0.00 C ATOM 120 O VAL A 9 -9.218 2.214 -3.289 1.00 0.00 O ATOM 121 CB VAL A 9 -6.680 1.377 -2.826 1.00 0.00 C ATOM 122 CG1 VAL A 9 -7.138 -0.009 -3.273 1.00 0.00 C ATOM 123 CG2 VAL A 9 -5.186 1.332 -2.491 1.00 0.00 C ATOM 0 H VAL A 9 -6.384 3.917 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.584 2.035 -4.922 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.243 1.680 -1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.962 -0.726 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.202 0.018 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.577 -0.310 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.014 0.612 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.624 1.032 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.856 2.319 -2.168 1.00 0.00 H new ATOM 133 N PRO A 10 -8.797 3.359 -5.151 1.00 0.00 N ATOM 134 CA PRO A 10 -10.227 3.672 -5.402 1.00 0.00 C ATOM 135 C PRO A 10 -11.025 2.407 -5.744 1.00 0.00 C ATOM 136 O PRO A 10 -12.234 2.443 -5.851 1.00 0.00 O ATOM 137 CB PRO A 10 -10.155 4.606 -6.612 1.00 0.00 C ATOM 138 CG PRO A 10 -8.712 4.607 -7.144 1.00 0.00 C ATOM 139 CD PRO A 10 -7.817 3.881 -6.133 1.00 0.00 C ATOM 0 HA PRO A 10 -10.728 4.107 -4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.844 4.274 -7.388 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.455 5.615 -6.330 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.666 4.112 -8.114 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.364 5.629 -7.291 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.245 3.079 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.099 4.557 -5.669 1.00 0.00 H new ATOM 147 N GLY A 11 -10.369 1.289 -5.921 1.00 0.00 N ATOM 148 CA GLY A 11 -11.117 0.044 -6.258 1.00 0.00 C ATOM 149 C GLY A 11 -12.266 -0.132 -5.268 1.00 0.00 C ATOM 150 O GLY A 11 -13.372 -0.477 -5.632 1.00 0.00 O ATOM 0 H GLY A 11 -9.357 1.186 -5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.503 0.101 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.451 -0.818 -6.218 1.00 0.00 H new ATOM 154 N MET A 12 -12.009 0.114 -4.015 1.00 0.00 N ATOM 155 CA MET A 12 -13.077 -0.024 -2.987 1.00 0.00 C ATOM 156 C MET A 12 -12.779 0.924 -1.824 1.00 0.00 C ATOM 157 O MET A 12 -11.676 1.416 -1.689 1.00 0.00 O ATOM 158 CB MET A 12 -13.004 -1.481 -2.537 1.00 0.00 C ATOM 159 CG MET A 12 -13.485 -2.395 -3.666 1.00 0.00 C ATOM 160 SD MET A 12 -15.166 -1.929 -4.151 1.00 0.00 S ATOM 161 CE MET A 12 -15.865 -1.833 -2.485 1.00 0.00 C ATOM 0 H MET A 12 -11.100 0.406 -3.656 1.00 0.00 H new ATOM 0 HA MET A 12 -14.069 0.226 -3.364 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.981 -1.736 -2.261 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.619 -1.629 -1.650 1.00 0.00 H new ATOM 0 HG2 MET A 12 -12.814 -2.317 -4.521 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.465 -3.435 -3.339 1.00 0.00 H new ATOM 0 HE1 MET A 12 -16.944 -1.980 -2.534 1.00 0.00 H new ATOM 0 HE2 MET A 12 -15.421 -2.607 -1.859 1.00 0.00 H new ATOM 0 HE3 MET A 12 -15.652 -0.854 -2.057 1.00 0.00 H new ATOM 171 N THR A 13 -13.742 1.199 -0.988 1.00 0.00 N ATOM 172 CA THR A 13 -13.476 2.132 0.144 1.00 0.00 C ATOM 173 C THR A 13 -14.678 2.213 1.088 1.00 0.00 C ATOM 174 O THR A 13 -15.693 2.797 0.764 1.00 0.00 O ATOM 175 CB THR A 13 -13.236 3.486 -0.526 1.00 0.00 C ATOM 176 OG1 THR A 13 -13.186 4.500 0.465 1.00 0.00 O ATOM 177 CG2 THR A 13 -14.374 3.785 -1.505 1.00 0.00 C ATOM 0 H THR A 13 -14.689 0.824 -1.037 1.00 0.00 H new ATOM 0 HA THR A 13 -12.632 1.805 0.751 1.00 0.00 H new ATOM 0 HB THR A 13 -12.291 3.459 -1.069 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.320 5.375 0.045 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.200 4.750 -1.981 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.412 3.006 -2.267 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.321 3.812 -0.965 1.00 0.00 H new ATOM 185 N CYS A 14 -14.568 1.651 2.262 1.00 0.00 N ATOM 186 CA CYS A 14 -15.704 1.723 3.225 1.00 0.00 C ATOM 187 C CYS A 14 -15.247 1.285 4.623 1.00 0.00 C ATOM 188 O CYS A 14 -15.559 1.918 5.611 1.00 0.00 O ATOM 189 CB CYS A 14 -16.795 0.798 2.646 1.00 0.00 C ATOM 190 SG CYS A 14 -16.577 -0.917 3.202 1.00 0.00 S ATOM 0 H CYS A 14 -13.745 1.148 2.594 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.087 2.736 3.345 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.778 1.158 2.950 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.765 0.835 1.557 1.00 0.00 H new ATOM 0 HG CYS A 14 -17.515 -1.660 2.695 1.00 0.00 H new ATOM 195 N ALA A 15 -14.505 0.217 4.715 1.00 0.00 N ATOM 196 CA ALA A 15 -14.028 -0.241 6.053 1.00 0.00 C ATOM 197 C ALA A 15 -13.235 -1.547 5.929 1.00 0.00 C ATOM 198 O ALA A 15 -12.413 -1.865 6.766 1.00 0.00 O ATOM 199 CB ALA A 15 -15.299 -0.458 6.876 1.00 0.00 C ATOM 0 H ALA A 15 -14.208 -0.358 3.926 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.359 0.484 6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.031 -0.797 7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.852 0.479 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.921 -1.211 6.393 1.00 0.00 H new ATOM 205 N ALA A 16 -13.485 -2.314 4.902 1.00 0.00 N ATOM 206 CA ALA A 16 -12.758 -3.603 4.741 1.00 0.00 C ATOM 207 C ALA A 16 -12.041 -3.665 3.387 1.00 0.00 C ATOM 208 O ALA A 16 -11.738 -4.731 2.891 1.00 0.00 O ATOM 209 CB ALA A 16 -13.848 -4.673 4.819 1.00 0.00 C ATOM 0 H ALA A 16 -14.161 -2.102 4.168 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.988 -3.735 5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.398 -5.660 4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.352 -4.609 5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.572 -4.514 4.020 1.00 0.00 H new ATOM 215 N CYS A 17 -11.754 -2.538 2.789 1.00 0.00 N ATOM 216 CA CYS A 17 -11.041 -2.564 1.476 1.00 0.00 C ATOM 217 C CYS A 17 -9.708 -1.785 1.575 1.00 0.00 C ATOM 218 O CYS A 17 -8.666 -2.406 1.521 1.00 0.00 O ATOM 219 CB CYS A 17 -12.023 -1.987 0.448 1.00 0.00 C ATOM 220 SG CYS A 17 -13.508 -3.015 0.403 1.00 0.00 S ATOM 0 H CYS A 17 -11.979 -1.610 3.147 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.754 -3.570 1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -12.284 -0.962 0.712 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -11.559 -1.954 -0.538 1.00 0.00 H new ATOM 0 HG CYS A 17 -13.655 -3.513 -0.789 1.00 0.00 H new ATOM 225 N PRO A 18 -9.732 -0.474 1.766 1.00 0.00 N ATOM 226 CA PRO A 18 -8.454 0.252 1.927 1.00 0.00 C ATOM 227 C PRO A 18 -7.661 -0.440 3.031 1.00 0.00 C ATOM 228 O PRO A 18 -6.461 -0.606 2.952 1.00 0.00 O ATOM 229 CB PRO A 18 -8.904 1.646 2.358 1.00 0.00 C ATOM 230 CG PRO A 18 -10.440 1.717 2.252 1.00 0.00 C ATOM 231 CD PRO A 18 -10.966 0.342 1.822 1.00 0.00 C ATOM 0 HA PRO A 18 -7.822 0.283 1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.585 1.848 3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.445 2.405 1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.872 2.004 3.210 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.734 2.478 1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.685 -0.059 2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.468 0.384 0.855 1.00 0.00 H new ATOM 239 N ILE A 19 -8.353 -0.861 4.056 1.00 0.00 N ATOM 240 CA ILE A 19 -7.686 -1.581 5.181 1.00 0.00 C ATOM 241 C ILE A 19 -7.047 -2.876 4.645 1.00 0.00 C ATOM 242 O ILE A 19 -5.962 -3.265 5.041 1.00 0.00 O ATOM 243 CB ILE A 19 -8.834 -1.864 6.174 1.00 0.00 C ATOM 244 CG1 ILE A 19 -8.488 -1.272 7.539 1.00 0.00 C ATOM 245 CG2 ILE A 19 -9.083 -3.370 6.333 1.00 0.00 C ATOM 246 CD1 ILE A 19 -9.752 -1.221 8.399 1.00 0.00 C ATOM 0 H ILE A 19 -9.360 -0.736 4.163 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.882 -1.019 5.656 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.739 -1.404 5.777 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.725 -1.877 8.028 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.074 -0.271 7.420 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.898 -3.532 7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.350 -3.799 5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.179 -3.851 6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.511 -0.799 9.375 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.500 -0.598 7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.146 -2.229 8.527 1.00 0.00 H new ATOM 258 N THR A 20 -7.715 -3.533 3.732 1.00 0.00 N ATOM 259 CA THR A 20 -7.162 -4.782 3.147 1.00 0.00 C ATOM 260 C THR A 20 -5.856 -4.446 2.450 1.00 0.00 C ATOM 261 O THR A 20 -5.003 -5.286 2.243 1.00 0.00 O ATOM 262 CB THR A 20 -8.209 -5.242 2.129 1.00 0.00 C ATOM 263 OG1 THR A 20 -9.485 -5.266 2.749 1.00 0.00 O ATOM 264 CG2 THR A 20 -7.858 -6.644 1.629 1.00 0.00 C ATOM 0 H THR A 20 -8.625 -3.253 3.367 1.00 0.00 H new ATOM 0 HA THR A 20 -6.963 -5.555 3.889 1.00 0.00 H new ATOM 0 HB THR A 20 -8.224 -4.552 1.285 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.183 -5.275 2.061 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.605 -6.969 0.905 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.876 -6.626 1.155 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.843 -7.337 2.470 1.00 0.00 H new ATOM 272 N VAL A 21 -5.698 -3.205 2.099 1.00 0.00 N ATOM 273 CA VAL A 21 -4.456 -2.780 1.428 1.00 0.00 C ATOM 274 C VAL A 21 -3.350 -2.659 2.466 1.00 0.00 C ATOM 275 O VAL A 21 -2.196 -2.902 2.191 1.00 0.00 O ATOM 276 CB VAL A 21 -4.773 -1.414 0.824 1.00 0.00 C ATOM 277 CG1 VAL A 21 -3.656 -1.009 -0.138 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.099 -1.489 0.067 1.00 0.00 C ATOM 0 H VAL A 21 -6.384 -2.465 2.251 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.124 -3.485 0.666 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.850 -0.673 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.883 -0.034 -0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.711 -0.956 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.576 -1.748 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.327 -0.515 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.022 -2.230 -0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.895 -1.776 0.754 1.00 0.00 H new ATOM 288 N LYS A 22 -3.706 -2.303 3.670 1.00 0.00 N ATOM 289 CA LYS A 22 -2.688 -2.178 4.738 1.00 0.00 C ATOM 290 C LYS A 22 -2.107 -3.551 5.010 1.00 0.00 C ATOM 291 O LYS A 22 -0.929 -3.707 5.264 1.00 0.00 O ATOM 292 CB LYS A 22 -3.444 -1.658 5.960 1.00 0.00 C ATOM 293 CG LYS A 22 -2.499 -0.824 6.829 1.00 0.00 C ATOM 294 CD LYS A 22 -1.803 -1.730 7.846 1.00 0.00 C ATOM 295 CE LYS A 22 -2.026 -1.178 9.255 1.00 0.00 C ATOM 296 NZ LYS A 22 -0.931 -1.765 10.075 1.00 0.00 N ATOM 0 H LYS A 22 -4.663 -2.094 3.956 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.868 -1.511 4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.294 -1.053 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.843 -2.493 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.758 -0.326 6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.057 -0.043 7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.196 -2.744 7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.736 -1.785 7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.985 -0.089 9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.005 -1.463 9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.016 -1.433 11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.999 -2.803 10.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.012 -1.471 9.688 1.00 0.00 H new ATOM 310 N LYS A 23 -2.931 -4.556 4.944 1.00 0.00 N ATOM 311 CA LYS A 23 -2.425 -5.926 5.185 1.00 0.00 C ATOM 312 C LYS A 23 -1.612 -6.390 3.978 1.00 0.00 C ATOM 313 O LYS A 23 -0.643 -7.117 4.094 1.00 0.00 O ATOM 314 CB LYS A 23 -3.671 -6.793 5.367 1.00 0.00 C ATOM 315 CG LYS A 23 -3.290 -8.268 5.234 1.00 0.00 C ATOM 316 CD LYS A 23 -3.871 -8.828 3.936 1.00 0.00 C ATOM 317 CE LYS A 23 -3.713 -10.349 3.926 1.00 0.00 C ATOM 318 NZ LYS A 23 -5.095 -10.882 4.085 1.00 0.00 N ATOM 0 H LYS A 23 -3.927 -4.486 4.735 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.772 -5.983 6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.116 -6.608 6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.421 -6.531 4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.205 -8.376 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.668 -8.831 6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.924 -8.560 3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.360 -8.392 3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.262 -10.693 2.995 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.065 -10.684 4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.068 -11.922 4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.496 -10.544 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.687 -10.553 3.296 1.00 0.00 H new ATOM 332 N ALA A 24 -2.013 -5.966 2.819 1.00 0.00 N ATOM 333 CA ALA A 24 -1.300 -6.357 1.576 1.00 0.00 C ATOM 334 C ALA A 24 0.142 -5.843 1.592 1.00 0.00 C ATOM 335 O ALA A 24 1.072 -6.581 1.341 1.00 0.00 O ATOM 336 CB ALA A 24 -2.090 -5.699 0.444 1.00 0.00 C ATOM 0 H ALA A 24 -2.817 -5.355 2.676 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.242 -7.440 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.626 -5.941 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.115 -6.069 0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.093 -4.618 0.583 1.00 0.00 H new ATOM 342 N LEU A 25 0.336 -4.583 1.882 1.00 0.00 N ATOM 343 CA LEU A 25 1.723 -4.030 1.907 1.00 0.00 C ATOM 344 C LEU A 25 2.521 -4.681 3.035 1.00 0.00 C ATOM 345 O LEU A 25 3.638 -5.119 2.852 1.00 0.00 O ATOM 346 CB LEU A 25 1.571 -2.531 2.176 1.00 0.00 C ATOM 347 CG LEU A 25 0.501 -1.931 1.264 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.447 -1.081 2.109 1.00 0.00 C ATOM 349 CD2 LEU A 25 1.166 -1.050 0.203 1.00 0.00 C ATOM 0 H LEU A 25 -0.403 -3.915 2.102 1.00 0.00 H new ATOM 0 HA LEU A 25 2.250 -4.221 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.301 -2.368 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.523 -2.027 2.010 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.054 -2.729 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.215 -0.647 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.917 -1.706 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.115 -0.282 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.402 -0.623 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.718 -0.247 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.852 -1.652 -0.392 1.00 0.00 H new ATOM 361 N SER A 26 1.951 -4.758 4.201 1.00 0.00 N ATOM 362 CA SER A 26 2.673 -5.388 5.334 1.00 0.00 C ATOM 363 C SER A 26 2.968 -6.838 4.978 1.00 0.00 C ATOM 364 O SER A 26 3.808 -7.481 5.576 1.00 0.00 O ATOM 365 CB SER A 26 1.714 -5.301 6.522 1.00 0.00 C ATOM 366 OG SER A 26 2.140 -6.201 7.536 1.00 0.00 O ATOM 0 H SER A 26 1.016 -4.412 4.418 1.00 0.00 H new ATOM 0 HA SER A 26 3.622 -4.902 5.562 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.689 -4.283 6.910 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.700 -5.546 6.205 1.00 0.00 H new ATOM 0 HG SER A 26 1.528 -6.147 8.300 1.00 0.00 H new ATOM 372 N LYS A 27 2.279 -7.357 3.999 1.00 0.00 N ATOM 373 CA LYS A 27 2.518 -8.765 3.601 1.00 0.00 C ATOM 374 C LYS A 27 3.338 -8.824 2.318 1.00 0.00 C ATOM 375 O LYS A 27 3.856 -9.857 1.942 1.00 0.00 O ATOM 376 CB LYS A 27 1.131 -9.369 3.390 1.00 0.00 C ATOM 377 CG LYS A 27 0.618 -9.927 4.718 1.00 0.00 C ATOM 378 CD LYS A 27 0.899 -8.920 5.835 1.00 0.00 C ATOM 379 CE LYS A 27 -0.065 -9.166 6.997 1.00 0.00 C ATOM 380 NZ LYS A 27 0.600 -10.200 7.837 1.00 0.00 N ATOM 0 H LYS A 27 1.564 -6.866 3.462 1.00 0.00 H new ATOM 0 HA LYS A 27 3.082 -9.312 4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.445 -8.611 3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.176 -10.161 2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.452 -10.125 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.105 -10.877 4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.930 -9.017 6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.782 -7.903 5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.242 -8.252 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.035 -9.512 6.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.002 -10.422 8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.750 -11.061 7.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.517 -9.840 8.169 1.00 0.00 H new ATOM 394 N VAL A 28 3.465 -7.720 1.648 1.00 0.00 N ATOM 395 CA VAL A 28 4.259 -7.701 0.392 1.00 0.00 C ATOM 396 C VAL A 28 5.596 -8.405 0.620 1.00 0.00 C ATOM 397 O VAL A 28 5.917 -9.364 -0.050 1.00 0.00 O ATOM 398 CB VAL A 28 4.472 -6.215 0.077 1.00 0.00 C ATOM 399 CG1 VAL A 28 5.736 -6.030 -0.771 1.00 0.00 C ATOM 400 CG2 VAL A 28 3.265 -5.686 -0.698 1.00 0.00 C ATOM 0 H VAL A 28 3.053 -6.826 1.915 1.00 0.00 H new ATOM 0 HA VAL A 28 3.760 -8.216 -0.429 1.00 0.00 H new ATOM 0 HB VAL A 28 4.586 -5.666 1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.877 -4.971 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.600 -6.406 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.631 -6.581 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.412 -4.630 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.156 -6.244 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.365 -5.806 -0.095 1.00 0.00 H new ATOM 410 N GLU A 29 6.364 -7.925 1.572 1.00 0.00 N ATOM 411 CA GLU A 29 7.701 -8.532 1.889 1.00 0.00 C ATOM 412 C GLU A 29 8.617 -7.489 2.531 1.00 0.00 C ATOM 413 O GLU A 29 8.809 -7.462 3.730 1.00 0.00 O ATOM 414 CB GLU A 29 8.309 -8.971 0.555 1.00 0.00 C ATOM 415 CG GLU A 29 8.154 -10.481 0.405 1.00 0.00 C ATOM 416 CD GLU A 29 9.532 -11.146 0.433 1.00 0.00 C ATOM 417 OE1 GLU A 29 10.480 -10.519 -0.010 1.00 0.00 O ATOM 418 OE2 GLU A 29 9.616 -12.270 0.900 1.00 0.00 O ATOM 0 H GLU A 29 6.117 -7.124 2.153 1.00 0.00 H new ATOM 0 HA GLU A 29 7.590 -9.367 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.814 -8.459 -0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.363 -8.696 0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.533 -10.874 1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.646 -10.713 -0.531 1.00 0.00 H new ATOM 425 N GLY A 30 9.199 -6.642 1.725 1.00 0.00 N ATOM 426 CA GLY A 30 10.128 -5.605 2.261 1.00 0.00 C ATOM 427 C GLY A 30 9.367 -4.587 3.105 1.00 0.00 C ATOM 428 O GLY A 30 9.936 -3.925 3.949 1.00 0.00 O ATOM 0 H GLY A 30 9.070 -6.624 0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.902 -6.079 2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.631 -5.099 1.437 1.00 0.00 H new ATOM 432 N VAL A 31 8.092 -4.458 2.889 1.00 0.00 N ATOM 433 CA VAL A 31 7.300 -3.480 3.692 1.00 0.00 C ATOM 434 C VAL A 31 7.718 -3.558 5.153 1.00 0.00 C ATOM 435 O VAL A 31 7.648 -4.593 5.785 1.00 0.00 O ATOM 436 CB VAL A 31 5.843 -3.887 3.504 1.00 0.00 C ATOM 437 CG1 VAL A 31 4.983 -3.234 4.588 1.00 0.00 C ATOM 438 CG2 VAL A 31 5.374 -3.417 2.124 1.00 0.00 C ATOM 0 H VAL A 31 7.561 -4.984 2.194 1.00 0.00 H new ATOM 0 HA VAL A 31 7.459 -2.449 3.375 1.00 0.00 H new ATOM 0 HB VAL A 31 5.748 -4.970 3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.942 -3.526 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.326 -3.560 5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.068 -2.150 4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.332 -3.702 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.466 -2.333 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.989 -3.881 1.353 1.00 0.00 H new ATOM 448 N SER A 32 8.168 -2.463 5.684 1.00 0.00 N ATOM 449 CA SER A 32 8.614 -2.452 7.103 1.00 0.00 C ATOM 450 C SER A 32 7.628 -1.660 7.946 1.00 0.00 C ATOM 451 O SER A 32 7.624 -1.735 9.159 1.00 0.00 O ATOM 452 CB SER A 32 9.982 -1.770 7.090 1.00 0.00 C ATOM 453 OG SER A 32 10.536 -1.849 5.783 1.00 0.00 O ATOM 0 H SER A 32 8.248 -1.570 5.197 1.00 0.00 H new ATOM 0 HA SER A 32 8.670 -3.454 7.529 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.884 -0.728 7.393 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.647 -2.250 7.808 1.00 0.00 H new ATOM 0 HG SER A 32 11.428 -2.252 5.830 1.00 0.00 H new ATOM 459 N LYS A 33 6.785 -0.907 7.309 1.00 0.00 N ATOM 460 CA LYS A 33 5.787 -0.110 8.074 1.00 0.00 C ATOM 461 C LYS A 33 4.566 0.158 7.193 1.00 0.00 C ATOM 462 O LYS A 33 4.651 0.141 5.983 1.00 0.00 O ATOM 463 CB LYS A 33 6.525 1.182 8.448 1.00 0.00 C ATOM 464 CG LYS A 33 5.547 2.359 8.518 1.00 0.00 C ATOM 465 CD LYS A 33 6.136 3.457 9.406 1.00 0.00 C ATOM 466 CE LYS A 33 5.123 4.594 9.555 1.00 0.00 C ATOM 467 NZ LYS A 33 5.735 5.528 10.543 1.00 0.00 N ATOM 0 H LYS A 33 6.741 -0.806 6.295 1.00 0.00 H new ATOM 0 HA LYS A 33 5.416 -0.617 8.964 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.023 1.058 9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.301 1.390 7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.357 2.748 7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.589 2.027 8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.388 3.050 10.385 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.061 3.835 8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.943 5.090 8.601 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.161 4.222 9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.098 6.335 10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.888 5.030 11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.646 5.871 10.178 1.00 0.00 H new ATOM 481 N VAL A 34 3.430 0.395 7.788 1.00 0.00 N ATOM 482 CA VAL A 34 2.212 0.649 6.973 1.00 0.00 C ATOM 483 C VAL A 34 1.258 1.593 7.705 1.00 0.00 C ATOM 484 O VAL A 34 1.238 1.667 8.918 1.00 0.00 O ATOM 485 CB VAL A 34 1.561 -0.722 6.788 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.544 -0.649 5.648 1.00 0.00 C ATOM 487 CG2 VAL A 34 2.631 -1.760 6.442 1.00 0.00 C ATOM 0 H VAL A 34 3.294 0.424 8.798 1.00 0.00 H new ATOM 0 HA VAL A 34 2.455 1.122 6.021 1.00 0.00 H new ATOM 0 HB VAL A 34 1.061 -1.011 7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.078 -1.625 5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.221 0.088 5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.050 -0.358 4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.163 -2.736 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.133 -1.471 5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.361 -1.813 7.250 1.00 0.00 H new ATOM 497 N ASP A 35 0.462 2.306 6.963 1.00 0.00 N ATOM 498 CA ASP A 35 -0.513 3.249 7.570 1.00 0.00 C ATOM 499 C ASP A 35 -1.438 3.736 6.463 1.00 0.00 C ATOM 500 O ASP A 35 -1.111 4.650 5.736 1.00 0.00 O ATOM 501 CB ASP A 35 0.324 4.401 8.128 1.00 0.00 C ATOM 502 CG ASP A 35 0.225 4.415 9.655 1.00 0.00 C ATOM 503 OD1 ASP A 35 -0.564 3.651 10.186 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.938 5.192 10.268 1.00 0.00 O ATOM 0 H ASP A 35 0.446 2.274 5.944 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.121 2.802 8.356 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.364 4.290 7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.028 5.349 7.722 1.00 0.00 H new ATOM 509 N VAL A 36 -2.568 3.111 6.297 1.00 0.00 N ATOM 510 CA VAL A 36 -3.476 3.519 5.191 1.00 0.00 C ATOM 511 C VAL A 36 -4.707 4.250 5.712 1.00 0.00 C ATOM 512 O VAL A 36 -4.688 4.884 6.748 1.00 0.00 O ATOM 513 CB VAL A 36 -3.894 2.203 4.532 1.00 0.00 C ATOM 514 CG1 VAL A 36 -2.661 1.329 4.304 1.00 0.00 C ATOM 515 CG2 VAL A 36 -4.876 1.459 5.441 1.00 0.00 C ATOM 0 H VAL A 36 -2.901 2.340 6.875 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.982 4.206 4.504 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.373 2.419 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.961 0.392 3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.959 1.852 3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.182 1.119 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.171 0.522 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.398 1.248 6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.759 2.077 5.605 1.00 0.00 H new ATOM 525 N GLY A 37 -5.778 4.161 4.980 1.00 0.00 N ATOM 526 CA GLY A 37 -7.030 4.836 5.388 1.00 0.00 C ATOM 527 C GLY A 37 -8.209 3.982 4.935 1.00 0.00 C ATOM 528 O GLY A 37 -8.489 3.881 3.745 1.00 0.00 O ATOM 0 H GLY A 37 -5.837 3.641 4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.053 4.970 6.469 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.088 5.829 4.942 1.00 0.00 H new ATOM 532 N PHE A 38 -8.875 3.363 5.885 1.00 0.00 N ATOM 533 CA PHE A 38 -10.046 2.485 5.586 1.00 0.00 C ATOM 534 C PHE A 38 -11.317 3.320 5.400 1.00 0.00 C ATOM 535 O PHE A 38 -12.274 3.193 6.137 1.00 0.00 O ATOM 536 CB PHE A 38 -10.168 1.572 6.813 1.00 0.00 C ATOM 537 CG PHE A 38 -10.745 2.326 8.000 1.00 0.00 C ATOM 538 CD1 PHE A 38 -10.669 3.727 8.072 1.00 0.00 C ATOM 539 CD2 PHE A 38 -11.357 1.611 9.038 1.00 0.00 C ATOM 540 CE1 PHE A 38 -11.204 4.402 9.175 1.00 0.00 C ATOM 541 CE2 PHE A 38 -11.891 2.289 10.140 1.00 0.00 C ATOM 542 CZ PHE A 38 -11.815 3.684 10.208 1.00 0.00 C ATOM 0 H PHE A 38 -8.647 3.434 6.877 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.914 1.920 4.663 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.805 0.720 6.575 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.187 1.174 7.073 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.197 4.283 7.276 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.417 0.534 8.988 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.145 5.479 9.229 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -12.362 1.735 10.938 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.228 4.207 11.058 1.00 0.00 H new ATOM 552 N GLU A 39 -11.330 4.170 4.418 1.00 0.00 N ATOM 553 CA GLU A 39 -12.531 5.020 4.172 1.00 0.00 C ATOM 554 C GLU A 39 -12.267 5.931 2.976 1.00 0.00 C ATOM 555 O GLU A 39 -13.104 6.111 2.116 1.00 0.00 O ATOM 556 CB GLU A 39 -12.715 5.844 5.446 1.00 0.00 C ATOM 557 CG GLU A 39 -13.779 6.917 5.205 1.00 0.00 C ATOM 558 CD GLU A 39 -15.013 6.277 4.565 1.00 0.00 C ATOM 559 OE1 GLU A 39 -15.594 5.404 5.188 1.00 0.00 O ATOM 560 OE2 GLU A 39 -15.354 6.669 3.461 1.00 0.00 O ATOM 0 H GLU A 39 -10.557 4.317 3.768 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.421 4.432 3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.014 5.197 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.771 6.309 5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.050 7.393 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.383 7.698 4.556 1.00 0.00 H new ATOM 567 N LYS A 40 -11.093 6.490 2.912 1.00 0.00 N ATOM 568 CA LYS A 40 -10.742 7.371 1.767 1.00 0.00 C ATOM 569 C LYS A 40 -9.681 6.668 0.924 1.00 0.00 C ATOM 570 O LYS A 40 -8.735 7.276 0.466 1.00 0.00 O ATOM 571 CB LYS A 40 -10.184 8.648 2.393 1.00 0.00 C ATOM 572 CG LYS A 40 -11.265 9.728 2.389 1.00 0.00 C ATOM 573 CD LYS A 40 -10.743 10.970 1.667 1.00 0.00 C ATOM 574 CE LYS A 40 -9.729 11.687 2.559 1.00 0.00 C ATOM 575 NZ LYS A 40 -8.515 11.849 1.710 1.00 0.00 N ATOM 0 H LYS A 40 -10.357 6.373 3.608 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.591 7.595 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.854 8.452 3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.312 8.989 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.163 9.357 1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.546 9.980 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.277 10.687 0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.569 11.639 1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.110 12.653 2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.510 11.105 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.773 12.334 2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.171 10.913 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.752 12.413 0.869 1.00 0.00 H new ATOM 589 N ARG A 41 -9.846 5.378 0.748 1.00 0.00 N ATOM 590 CA ARG A 41 -8.876 4.555 -0.041 1.00 0.00 C ATOM 591 C ARG A 41 -7.486 5.178 -0.061 1.00 0.00 C ATOM 592 O ARG A 41 -7.093 5.802 -1.027 1.00 0.00 O ATOM 593 CB ARG A 41 -9.448 4.478 -1.457 1.00 0.00 C ATOM 594 CG ARG A 41 -9.433 5.856 -2.126 1.00 0.00 C ATOM 595 CD ARG A 41 -8.526 5.810 -3.359 1.00 0.00 C ATOM 596 NE ARG A 41 -7.815 7.129 -3.372 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.474 8.256 -3.343 1.00 0.00 C ATOM 598 NH1 ARG A 41 -9.770 8.268 -3.496 1.00 0.00 N ATOM 599 NH2 ARG A 41 -7.827 9.383 -3.222 1.00 0.00 N ATOM 0 H ARG A 41 -10.632 4.850 1.128 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.757 3.568 0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.866 3.774 -2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.469 4.097 -1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.444 6.144 -2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.075 6.610 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.819 4.982 -3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.107 5.667 -4.270 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.796 7.147 -3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.275 7.393 -3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.278 9.152 -3.472 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.810 9.382 -3.150 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.339 10.265 -3.199 1.00 0.00 H new ATOM 613 N GLU A 42 -6.727 5.016 0.988 1.00 0.00 N ATOM 614 CA GLU A 42 -5.356 5.618 0.977 1.00 0.00 C ATOM 615 C GLU A 42 -4.358 4.748 1.745 1.00 0.00 C ATOM 616 O GLU A 42 -4.444 4.613 2.946 1.00 0.00 O ATOM 617 CB GLU A 42 -5.516 6.974 1.665 1.00 0.00 C ATOM 618 CG GLU A 42 -4.234 7.790 1.487 1.00 0.00 C ATOM 619 CD GLU A 42 -4.323 8.602 0.194 1.00 0.00 C ATOM 620 OE1 GLU A 42 -5.197 9.448 0.108 1.00 0.00 O ATOM 621 OE2 GLU A 42 -3.515 8.362 -0.688 1.00 0.00 O ATOM 0 H GLU A 42 -6.984 4.507 1.834 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.967 5.706 -0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.364 7.512 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.726 6.833 2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.093 8.456 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.370 7.127 1.454 1.00 0.00 H new ATOM 628 N ALA A 43 -3.400 4.161 1.073 1.00 0.00 N ATOM 629 CA ALA A 43 -2.416 3.313 1.802 1.00 0.00 C ATOM 630 C ALA A 43 -1.024 3.951 1.785 1.00 0.00 C ATOM 631 O ALA A 43 -0.397 4.070 0.763 1.00 0.00 O ATOM 632 CB ALA A 43 -2.410 1.983 1.052 1.00 0.00 C ATOM 0 H ALA A 43 -3.259 4.232 0.065 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.683 3.191 2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.707 1.300 1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.409 1.549 1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.109 2.150 0.018 1.00 0.00 H new ATOM 638 N VAL A 44 -0.521 4.332 2.919 1.00 0.00 N ATOM 639 CA VAL A 44 0.840 4.934 2.956 1.00 0.00 C ATOM 640 C VAL A 44 1.776 3.925 3.603 1.00 0.00 C ATOM 641 O VAL A 44 1.539 3.467 4.701 1.00 0.00 O ATOM 642 CB VAL A 44 0.698 6.203 3.798 1.00 0.00 C ATOM 643 CG1 VAL A 44 2.052 6.582 4.405 1.00 0.00 C ATOM 644 CG2 VAL A 44 0.206 7.346 2.907 1.00 0.00 C ATOM 0 H VAL A 44 -0.989 4.254 3.822 1.00 0.00 H new ATOM 0 HA VAL A 44 1.244 5.180 1.974 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.017 6.023 4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.942 7.487 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.407 5.769 5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.772 6.760 3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.103 8.253 3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.924 7.518 2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.761 7.082 2.478 1.00 0.00 H new ATOM 654 N VAL A 45 2.807 3.524 2.918 1.00 0.00 N ATOM 655 CA VAL A 45 3.689 2.485 3.513 1.00 0.00 C ATOM 656 C VAL A 45 5.180 2.777 3.322 1.00 0.00 C ATOM 657 O VAL A 45 5.601 3.433 2.389 1.00 0.00 O ATOM 658 CB VAL A 45 3.295 1.209 2.765 1.00 0.00 C ATOM 659 CG1 VAL A 45 4.251 0.071 3.124 1.00 0.00 C ATOM 660 CG2 VAL A 45 1.869 0.817 3.155 1.00 0.00 C ATOM 0 H VAL A 45 3.074 3.861 1.993 1.00 0.00 H new ATOM 0 HA VAL A 45 3.558 2.426 4.593 1.00 0.00 H new ATOM 0 HB VAL A 45 3.350 1.392 1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.961 -0.831 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.268 0.348 2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.207 -0.116 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.583 -0.092 2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.821 0.640 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.185 1.623 2.889 1.00 0.00 H new ATOM 670 N THR A 46 5.972 2.234 4.205 1.00 0.00 N ATOM 671 CA THR A 46 7.451 2.380 4.134 1.00 0.00 C ATOM 672 C THR A 46 8.021 0.988 3.909 1.00 0.00 C ATOM 673 O THR A 46 7.374 0.006 4.217 1.00 0.00 O ATOM 674 CB THR A 46 7.866 2.920 5.505 1.00 0.00 C ATOM 675 OG1 THR A 46 7.723 4.334 5.520 1.00 0.00 O ATOM 676 CG2 THR A 46 9.324 2.544 5.794 1.00 0.00 C ATOM 0 H THR A 46 5.644 1.679 4.995 1.00 0.00 H new ATOM 0 HA THR A 46 7.799 3.040 3.339 1.00 0.00 H new ATOM 0 HB THR A 46 7.228 2.483 6.273 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.988 4.680 6.398 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.613 2.931 6.771 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.428 1.459 5.789 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.969 2.974 5.028 1.00 0.00 H new ATOM 684 N PHE A 47 9.198 0.861 3.376 1.00 0.00 N ATOM 685 CA PHE A 47 9.715 -0.506 3.160 1.00 0.00 C ATOM 686 C PHE A 47 11.148 -0.474 2.702 1.00 0.00 C ATOM 687 O PHE A 47 11.716 0.570 2.494 1.00 0.00 O ATOM 688 CB PHE A 47 8.828 -1.086 2.063 1.00 0.00 C ATOM 689 CG PHE A 47 9.078 -0.342 0.775 1.00 0.00 C ATOM 690 CD1 PHE A 47 10.094 -0.761 -0.099 1.00 0.00 C ATOM 691 CD2 PHE A 47 8.287 0.769 0.449 1.00 0.00 C ATOM 692 CE1 PHE A 47 10.314 -0.069 -1.292 1.00 0.00 C ATOM 693 CE2 PHE A 47 8.508 1.456 -0.748 1.00 0.00 C ATOM 694 CZ PHE A 47 9.521 1.038 -1.617 1.00 0.00 C ATOM 0 H PHE A 47 9.810 1.625 3.088 1.00 0.00 H new ATOM 0 HA PHE A 47 9.693 -1.097 4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.040 -2.147 1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.779 -1.004 2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.704 -1.617 0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.508 1.094 1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.097 -0.388 -1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.897 2.309 -1.002 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.692 1.570 -2.541 1.00 0.00 H new ATOM 704 N ASP A 48 11.714 -1.621 2.503 1.00 0.00 N ATOM 705 CA ASP A 48 13.105 -1.683 2.015 1.00 0.00 C ATOM 706 C ASP A 48 13.057 -2.118 0.559 1.00 0.00 C ATOM 707 O ASP A 48 12.530 -3.162 0.230 1.00 0.00 O ATOM 708 CB ASP A 48 13.800 -2.732 2.885 1.00 0.00 C ATOM 709 CG ASP A 48 13.833 -2.254 4.337 1.00 0.00 C ATOM 710 OD1 ASP A 48 14.261 -1.133 4.562 1.00 0.00 O ATOM 711 OD2 ASP A 48 13.431 -3.017 5.201 1.00 0.00 O ATOM 0 H ASP A 48 11.268 -2.525 2.659 1.00 0.00 H new ATOM 0 HA ASP A 48 13.636 -0.733 2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.272 -3.683 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.814 -2.904 2.525 1.00 0.00 H new ATOM 716 N ASP A 49 13.566 -1.312 -0.325 1.00 0.00 N ATOM 717 CA ASP A 49 13.498 -1.676 -1.767 1.00 0.00 C ATOM 718 C ASP A 49 14.283 -2.966 -2.038 1.00 0.00 C ATOM 719 O ASP A 49 14.230 -3.523 -3.116 1.00 0.00 O ATOM 720 CB ASP A 49 14.084 -0.467 -2.518 1.00 0.00 C ATOM 721 CG ASP A 49 15.568 -0.690 -2.837 1.00 0.00 C ATOM 722 OD1 ASP A 49 15.857 -1.574 -3.627 1.00 0.00 O ATOM 723 OD2 ASP A 49 16.386 0.027 -2.289 1.00 0.00 O ATOM 0 H ASP A 49 14.023 -0.424 -0.117 1.00 0.00 H new ATOM 0 HA ASP A 49 12.480 -1.881 -2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.529 -0.304 -3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.969 0.433 -1.914 1.00 0.00 H new ATOM 728 N THR A 50 15.007 -3.447 -1.067 1.00 0.00 N ATOM 729 CA THR A 50 15.787 -4.699 -1.268 1.00 0.00 C ATOM 730 C THR A 50 14.844 -5.895 -1.451 1.00 0.00 C ATOM 731 O THR A 50 15.190 -6.874 -2.082 1.00 0.00 O ATOM 732 CB THR A 50 16.606 -4.857 0.013 1.00 0.00 C ATOM 733 OG1 THR A 50 15.813 -4.468 1.126 1.00 0.00 O ATOM 734 CG2 THR A 50 17.854 -3.975 -0.059 1.00 0.00 C ATOM 0 H THR A 50 15.092 -3.027 -0.142 1.00 0.00 H new ATOM 0 HA THR A 50 16.415 -4.655 -2.158 1.00 0.00 H new ATOM 0 HB THR A 50 16.910 -5.898 0.124 1.00 0.00 H new ATOM 0 HG1 THR A 50 16.334 -4.569 1.950 1.00 0.00 H new ATOM 0 HG21 THR A 50 18.435 -4.091 0.856 1.00 0.00 H new ATOM 0 HG22 THR A 50 18.461 -4.273 -0.914 1.00 0.00 H new ATOM 0 HG23 THR A 50 17.557 -2.932 -0.170 1.00 0.00 H new ATOM 742 N LYS A 51 13.659 -5.833 -0.899 1.00 0.00 N ATOM 743 CA LYS A 51 12.711 -6.979 -1.044 1.00 0.00 C ATOM 744 C LYS A 51 11.347 -6.506 -1.560 1.00 0.00 C ATOM 745 O LYS A 51 10.490 -7.300 -1.894 1.00 0.00 O ATOM 746 CB LYS A 51 12.582 -7.566 0.363 1.00 0.00 C ATOM 747 CG LYS A 51 13.510 -8.775 0.499 1.00 0.00 C ATOM 748 CD LYS A 51 14.335 -8.644 1.781 1.00 0.00 C ATOM 749 CE LYS A 51 13.418 -8.810 2.996 1.00 0.00 C ATOM 750 NZ LYS A 51 14.338 -8.984 4.155 1.00 0.00 N ATOM 0 H LYS A 51 13.308 -5.043 -0.357 1.00 0.00 H new ATOM 0 HA LYS A 51 13.071 -7.713 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.838 -6.812 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.550 -7.863 0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.925 -9.695 0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.170 -8.839 -0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.121 -9.399 1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.826 -7.671 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.777 -7.938 3.129 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.762 -9.673 2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.781 -9.104 5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.931 -9.825 4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.945 -8.145 4.245 1.00 0.00 H new ATOM 764 N ALA A 52 11.143 -5.222 -1.634 1.00 0.00 N ATOM 765 CA ALA A 52 9.838 -4.697 -2.134 1.00 0.00 C ATOM 766 C ALA A 52 10.058 -3.397 -2.904 1.00 0.00 C ATOM 767 O ALA A 52 11.170 -3.040 -3.239 1.00 0.00 O ATOM 768 CB ALA A 52 8.998 -4.439 -0.884 1.00 0.00 C ATOM 0 H ALA A 52 11.824 -4.510 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 52 9.348 -5.396 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.022 -4.051 -1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.868 -5.371 -0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.504 -3.711 -0.250 1.00 0.00 H new ATOM 774 N SER A 53 9.005 -2.688 -3.191 1.00 0.00 N ATOM 775 CA SER A 53 9.149 -1.412 -3.942 1.00 0.00 C ATOM 776 C SER A 53 7.784 -0.750 -4.115 1.00 0.00 C ATOM 777 O SER A 53 6.762 -1.403 -4.087 1.00 0.00 O ATOM 778 CB SER A 53 9.725 -1.818 -5.299 1.00 0.00 C ATOM 779 OG SER A 53 10.948 -1.126 -5.516 1.00 0.00 O ATOM 0 H SER A 53 8.049 -2.937 -2.938 1.00 0.00 H new ATOM 0 HA SER A 53 9.788 -0.695 -3.426 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.893 -2.895 -5.328 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.016 -1.584 -6.093 1.00 0.00 H new ATOM 0 HG SER A 53 11.623 -1.449 -4.883 1.00 0.00 H new ATOM 785 N VAL A 54 7.757 0.540 -4.293 1.00 0.00 N ATOM 786 CA VAL A 54 6.454 1.235 -4.476 1.00 0.00 C ATOM 787 C VAL A 54 5.573 0.420 -5.418 1.00 0.00 C ATOM 788 O VAL A 54 4.383 0.284 -5.213 1.00 0.00 O ATOM 789 CB VAL A 54 6.807 2.580 -5.107 1.00 0.00 C ATOM 790 CG1 VAL A 54 5.553 3.448 -5.183 1.00 0.00 C ATOM 791 CG2 VAL A 54 7.863 3.282 -4.252 1.00 0.00 C ATOM 0 H VAL A 54 8.580 1.143 -4.320 1.00 0.00 H new ATOM 0 HA VAL A 54 5.908 1.359 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 54 7.201 2.420 -6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.802 4.409 -5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.800 2.947 -5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.160 3.609 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.116 4.242 -4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.470 3.444 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.757 2.661 -4.196 1.00 0.00 H new ATOM 801 N GLN A 55 6.155 -0.134 -6.444 1.00 0.00 N ATOM 802 CA GLN A 55 5.359 -0.955 -7.393 1.00 0.00 C ATOM 803 C GLN A 55 4.747 -2.142 -6.649 1.00 0.00 C ATOM 804 O GLN A 55 3.582 -2.446 -6.801 1.00 0.00 O ATOM 805 CB GLN A 55 6.361 -1.434 -8.445 1.00 0.00 C ATOM 806 CG GLN A 55 5.617 -1.771 -9.739 1.00 0.00 C ATOM 807 CD GLN A 55 6.159 -3.079 -10.317 1.00 0.00 C ATOM 808 OE1 GLN A 55 6.024 -4.125 -9.714 1.00 0.00 O ATOM 809 NE2 GLN A 55 6.770 -3.065 -11.470 1.00 0.00 N ATOM 0 H GLN A 55 7.147 -0.053 -6.665 1.00 0.00 H new ATOM 0 HA GLN A 55 4.539 -0.398 -7.847 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.106 -0.661 -8.632 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.896 -2.311 -8.081 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.549 -1.864 -9.543 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.740 -0.964 -10.461 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.883 -2.187 -11.976 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.134 -3.932 -11.865 1.00 0.00 H new ATOM 818 N LYS A 56 5.527 -2.815 -5.846 1.00 0.00 N ATOM 819 CA LYS A 56 4.991 -3.983 -5.091 1.00 0.00 C ATOM 820 C LYS A 56 3.957 -3.538 -4.051 1.00 0.00 C ATOM 821 O LYS A 56 3.123 -4.317 -3.637 1.00 0.00 O ATOM 822 CB LYS A 56 6.206 -4.613 -4.410 1.00 0.00 C ATOM 823 CG LYS A 56 6.613 -5.881 -5.163 1.00 0.00 C ATOM 824 CD LYS A 56 8.125 -5.873 -5.392 1.00 0.00 C ATOM 825 CE LYS A 56 8.432 -6.370 -6.806 1.00 0.00 C ATOM 826 NZ LYS A 56 9.152 -7.659 -6.612 1.00 0.00 N ATOM 0 H LYS A 56 6.512 -2.606 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 56 4.481 -4.687 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.035 -3.905 -4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.971 -4.853 -3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.325 -6.764 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.090 -5.934 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.518 -4.866 -5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.618 -6.509 -4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.518 -6.511 -7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.045 -5.653 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.397 -8.063 -7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.021 -7.492 -6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.541 -8.324 -6.095 1.00 0.00 H new ATOM 840 N LEU A 57 3.979 -2.298 -3.631 1.00 0.00 N ATOM 841 CA LEU A 57 2.960 -1.856 -2.636 1.00 0.00 C ATOM 842 C LEU A 57 1.619 -1.714 -3.353 1.00 0.00 C ATOM 843 O LEU A 57 0.637 -2.341 -3.002 1.00 0.00 O ATOM 844 CB LEU A 57 3.436 -0.497 -2.118 1.00 0.00 C ATOM 845 CG LEU A 57 4.898 -0.576 -1.672 1.00 0.00 C ATOM 846 CD1 LEU A 57 5.390 0.833 -1.352 1.00 0.00 C ATOM 847 CD2 LEU A 57 5.018 -1.449 -0.419 1.00 0.00 C ATOM 0 H LEU A 57 4.646 -1.586 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 57 2.840 -2.561 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.328 0.255 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.811 -0.180 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 57 5.498 -1.014 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.431 0.791 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.308 1.458 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.782 1.258 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.062 -1.499 -0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.422 -1.017 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.656 -2.453 -0.639 1.00 0.00 H new ATOM 859 N THR A 58 1.586 -0.908 -4.379 1.00 0.00 N ATOM 860 CA THR A 58 0.330 -0.733 -5.155 1.00 0.00 C ATOM 861 C THR A 58 -0.011 -2.058 -5.826 1.00 0.00 C ATOM 862 O THR A 58 -1.139 -2.312 -6.196 1.00 0.00 O ATOM 863 CB THR A 58 0.654 0.329 -6.205 1.00 0.00 C ATOM 864 OG1 THR A 58 1.487 1.325 -5.630 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.640 0.970 -6.707 1.00 0.00 C ATOM 0 H THR A 58 2.380 -0.362 -4.713 1.00 0.00 H new ATOM 0 HA THR A 58 -0.518 -0.435 -4.539 1.00 0.00 H new ATOM 0 HB THR A 58 1.172 -0.138 -7.043 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.263 1.477 -6.209 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.405 1.727 -7.455 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.276 0.205 -7.152 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.163 1.436 -5.872 1.00 0.00 H new ATOM 873 N LYS A 59 0.966 -2.912 -5.971 1.00 0.00 N ATOM 874 CA LYS A 59 0.713 -4.230 -6.599 1.00 0.00 C ATOM 875 C LYS A 59 0.134 -5.169 -5.547 1.00 0.00 C ATOM 876 O LYS A 59 -0.622 -6.069 -5.853 1.00 0.00 O ATOM 877 CB LYS A 59 2.081 -4.720 -7.074 1.00 0.00 C ATOM 878 CG LYS A 59 1.917 -6.048 -7.813 1.00 0.00 C ATOM 879 CD LYS A 59 2.428 -5.901 -9.248 1.00 0.00 C ATOM 880 CE LYS A 59 1.435 -5.070 -10.063 1.00 0.00 C ATOM 881 NZ LYS A 59 0.583 -6.070 -10.766 1.00 0.00 N ATOM 0 H LYS A 59 1.930 -2.748 -5.679 1.00 0.00 H new ATOM 0 HA LYS A 59 0.006 -4.182 -7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.537 -3.979 -7.731 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.750 -4.845 -6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.470 -6.834 -7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.869 -6.346 -7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.407 -5.421 -9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.555 -6.884 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.837 -4.425 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.951 -4.422 -10.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.124 -5.576 -11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.178 -6.665 -11.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.100 -6.668 -10.066 1.00 0.00 H new ATOM 895 N ALA A 60 0.468 -4.955 -4.298 1.00 0.00 N ATOM 896 CA ALA A 60 -0.091 -5.830 -3.233 1.00 0.00 C ATOM 897 C ALA A 60 -1.587 -5.562 -3.108 1.00 0.00 C ATOM 898 O ALA A 60 -2.384 -6.472 -3.002 1.00 0.00 O ATOM 899 CB ALA A 60 0.649 -5.440 -1.954 1.00 0.00 C ATOM 0 H ALA A 60 1.097 -4.219 -3.977 1.00 0.00 H new ATOM 0 HA ALA A 60 0.035 -6.892 -3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.287 -6.047 -1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.718 -5.608 -2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.471 -4.387 -1.738 1.00 0.00 H new ATOM 905 N THR A 61 -1.980 -4.319 -3.162 1.00 0.00 N ATOM 906 CA THR A 61 -3.433 -4.006 -3.093 1.00 0.00 C ATOM 907 C THR A 61 -4.042 -4.369 -4.437 1.00 0.00 C ATOM 908 O THR A 61 -5.142 -4.883 -4.529 1.00 0.00 O ATOM 909 CB THR A 61 -3.510 -2.505 -2.842 1.00 0.00 C ATOM 910 OG1 THR A 61 -4.867 -2.126 -2.656 1.00 0.00 O ATOM 911 CG2 THR A 61 -2.920 -1.748 -4.032 1.00 0.00 C ATOM 0 H THR A 61 -1.362 -3.512 -3.250 1.00 0.00 H new ATOM 0 HA THR A 61 -3.967 -4.551 -2.314 1.00 0.00 H new ATOM 0 HB THR A 61 -2.939 -2.259 -1.947 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.413 -2.927 -2.510 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.978 -0.676 -3.846 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.878 -2.037 -4.166 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.483 -1.991 -4.933 1.00 0.00 H new ATOM 919 N ALA A 62 -3.303 -4.138 -5.486 1.00 0.00 N ATOM 920 CA ALA A 62 -3.805 -4.504 -6.828 1.00 0.00 C ATOM 921 C ALA A 62 -4.046 -6.009 -6.843 1.00 0.00 C ATOM 922 O ALA A 62 -4.887 -6.512 -7.561 1.00 0.00 O ATOM 923 CB ALA A 62 -2.691 -4.116 -7.800 1.00 0.00 C ATOM 0 H ALA A 62 -2.376 -3.712 -5.467 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.737 -4.006 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.995 -4.360 -8.818 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.499 -3.046 -7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.783 -4.666 -7.551 1.00 0.00 H new ATOM 929 N ASP A 63 -3.320 -6.731 -6.027 1.00 0.00 N ATOM 930 CA ASP A 63 -3.516 -8.200 -5.963 1.00 0.00 C ATOM 931 C ASP A 63 -4.569 -8.515 -4.903 1.00 0.00 C ATOM 932 O ASP A 63 -5.177 -9.566 -4.907 1.00 0.00 O ATOM 933 CB ASP A 63 -2.155 -8.777 -5.571 1.00 0.00 C ATOM 934 CG ASP A 63 -2.134 -10.280 -5.856 1.00 0.00 C ATOM 935 OD1 ASP A 63 -2.935 -10.987 -5.266 1.00 0.00 O ATOM 936 OD2 ASP A 63 -1.316 -10.700 -6.659 1.00 0.00 O ATOM 0 H ASP A 63 -2.601 -6.361 -5.405 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.862 -8.623 -6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.363 -8.279 -6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.962 -8.594 -4.514 1.00 0.00 H new ATOM 941 N ALA A 64 -4.811 -7.593 -4.007 1.00 0.00 N ATOM 942 CA ALA A 64 -5.845 -7.828 -2.970 1.00 0.00 C ATOM 943 C ALA A 64 -7.215 -7.731 -3.629 1.00 0.00 C ATOM 944 O ALA A 64 -8.209 -8.201 -3.110 1.00 0.00 O ATOM 945 CB ALA A 64 -5.650 -6.709 -1.946 1.00 0.00 C ATOM 0 H ALA A 64 -4.336 -6.692 -3.953 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.768 -8.806 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.382 -6.817 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.645 -6.769 -1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.784 -5.743 -2.433 1.00 0.00 H new ATOM 951 N GLY A 65 -7.267 -7.118 -4.781 1.00 0.00 N ATOM 952 CA GLY A 65 -8.562 -6.980 -5.492 1.00 0.00 C ATOM 953 C GLY A 65 -8.941 -5.508 -5.551 1.00 0.00 C ATOM 954 O GLY A 65 -10.102 -5.158 -5.612 1.00 0.00 O ATOM 0 H GLY A 65 -6.464 -6.707 -5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.484 -7.389 -6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.337 -7.548 -4.977 1.00 0.00 H new ATOM 958 N TYR A 66 -7.970 -4.639 -5.528 1.00 0.00 N ATOM 959 CA TYR A 66 -8.287 -3.188 -5.570 1.00 0.00 C ATOM 960 C TYR A 66 -7.320 -2.444 -6.502 1.00 0.00 C ATOM 961 O TYR A 66 -6.224 -2.104 -6.104 1.00 0.00 O ATOM 962 CB TYR A 66 -8.112 -2.716 -4.125 1.00 0.00 C ATOM 963 CG TYR A 66 -8.894 -3.616 -3.195 1.00 0.00 C ATOM 964 CD1 TYR A 66 -10.252 -3.840 -3.434 1.00 0.00 C ATOM 965 CD2 TYR A 66 -8.268 -4.215 -2.088 1.00 0.00 C ATOM 966 CE1 TYR A 66 -10.991 -4.662 -2.575 1.00 0.00 C ATOM 967 CE2 TYR A 66 -9.008 -5.039 -1.230 1.00 0.00 C ATOM 968 CZ TYR A 66 -10.369 -5.260 -1.472 1.00 0.00 C ATOM 969 OH TYR A 66 -11.099 -6.070 -0.625 1.00 0.00 O ATOM 0 H TYR A 66 -6.978 -4.870 -5.482 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.289 -2.996 -5.953 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.056 -2.727 -3.854 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.456 -1.687 -4.025 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.733 -3.378 -4.283 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.219 -4.040 -1.899 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -12.040 -4.835 -2.763 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.528 -5.504 -0.381 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.512 -6.754 -0.240 1.00 0.00 H new ATOM 979 N PRO A 67 -7.761 -2.200 -7.715 1.00 0.00 N ATOM 980 CA PRO A 67 -6.921 -1.476 -8.697 1.00 0.00 C ATOM 981 C PRO A 67 -6.541 -0.105 -8.137 1.00 0.00 C ATOM 982 O PRO A 67 -7.279 0.853 -8.255 1.00 0.00 O ATOM 983 CB PRO A 67 -7.849 -1.348 -9.909 1.00 0.00 C ATOM 984 CG PRO A 67 -9.171 -2.076 -9.598 1.00 0.00 C ATOM 985 CD PRO A 67 -9.106 -2.628 -8.166 1.00 0.00 C ATOM 0 HA PRO A 67 -5.983 -1.975 -8.939 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.039 -0.298 -10.130 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.379 -1.780 -10.792 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.013 -1.391 -9.701 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.332 -2.887 -10.308 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.895 -2.216 -7.537 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.215 -3.712 -8.144 1.00 0.00 H new ATOM 993 N SER A 68 -5.403 -0.010 -7.509 1.00 0.00 N ATOM 994 CA SER A 68 -4.986 1.294 -6.918 1.00 0.00 C ATOM 995 C SER A 68 -3.838 1.920 -7.708 1.00 0.00 C ATOM 996 O SER A 68 -3.583 1.577 -8.845 1.00 0.00 O ATOM 997 CB SER A 68 -4.527 0.949 -5.505 1.00 0.00 C ATOM 998 OG SER A 68 -3.184 0.485 -5.549 1.00 0.00 O ATOM 0 H SER A 68 -4.743 -0.777 -7.379 1.00 0.00 H new ATOM 0 HA SER A 68 -5.799 2.020 -6.932 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.600 1.826 -4.862 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.175 0.184 -5.076 1.00 0.00 H new ATOM 0 HG SER A 68 -3.114 -0.255 -6.188 1.00 0.00 H new ATOM 1004 N SER A 69 -3.149 2.842 -7.100 1.00 0.00 N ATOM 1005 CA SER A 69 -2.016 3.519 -7.777 1.00 0.00 C ATOM 1006 C SER A 69 -1.080 4.080 -6.714 1.00 0.00 C ATOM 1007 O SER A 69 -1.204 3.770 -5.550 1.00 0.00 O ATOM 1008 CB SER A 69 -2.651 4.646 -8.590 1.00 0.00 C ATOM 1009 OG SER A 69 -3.452 5.450 -7.733 1.00 0.00 O ATOM 0 H SER A 69 -3.328 3.159 -6.147 1.00 0.00 H new ATOM 0 HA SER A 69 -1.436 2.852 -8.415 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.876 5.253 -9.058 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.260 4.232 -9.393 1.00 0.00 H new ATOM 0 HG SER A 69 -3.860 6.175 -8.251 1.00 0.00 H new ATOM 1015 N VAL A 70 -0.138 4.886 -7.091 1.00 0.00 N ATOM 1016 CA VAL A 70 0.796 5.427 -6.076 1.00 0.00 C ATOM 1017 C VAL A 70 1.027 6.918 -6.278 1.00 0.00 C ATOM 1018 O VAL A 70 0.802 7.453 -7.346 1.00 0.00 O ATOM 1019 CB VAL A 70 2.062 4.631 -6.317 1.00 0.00 C ATOM 1020 CG1 VAL A 70 2.762 5.142 -7.582 1.00 0.00 C ATOM 1021 CG2 VAL A 70 2.999 4.777 -5.117 1.00 0.00 C ATOM 0 H VAL A 70 0.026 5.193 -8.050 1.00 0.00 H new ATOM 0 HA VAL A 70 0.423 5.334 -5.056 1.00 0.00 H new ATOM 0 HB VAL A 70 1.805 3.580 -6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.672 4.567 -7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.096 5.028 -8.437 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.016 6.195 -7.457 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.909 4.203 -5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.254 5.828 -4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.503 4.404 -4.221 1.00 0.00 H new ATOM 1031 N LYS A 71 1.463 7.601 -5.255 1.00 0.00 N ATOM 1032 CA LYS A 71 1.686 9.066 -5.406 1.00 0.00 C ATOM 1033 C LYS A 71 2.387 9.636 -4.176 1.00 0.00 C ATOM 1034 O LYS A 71 1.989 10.645 -3.628 1.00 0.00 O ATOM 1035 CB LYS A 71 0.287 9.656 -5.538 1.00 0.00 C ATOM 1036 CG LYS A 71 -0.624 8.994 -4.506 1.00 0.00 C ATOM 1037 CD LYS A 71 -1.370 10.065 -3.719 1.00 0.00 C ATOM 1038 CE LYS A 71 -2.516 10.618 -4.568 1.00 0.00 C ATOM 1039 NZ LYS A 71 -3.447 11.248 -3.592 1.00 0.00 N ATOM 0 H LYS A 71 1.672 7.215 -4.334 1.00 0.00 H new ATOM 0 HA LYS A 71 2.320 9.298 -6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.315 10.734 -5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.099 9.491 -6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.334 8.334 -5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.034 8.376 -3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.760 9.644 -2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.688 10.869 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.154 11.345 -5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.010 9.825 -5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.261 11.651 -4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.780 10.530 -2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.951 12.003 -3.077 1.00 0.00 H new ATOM 1053 N GLN A 72 3.429 8.999 -3.743 1.00 0.00 N ATOM 1054 CA GLN A 72 4.167 9.501 -2.550 1.00 0.00 C ATOM 1055 C GLN A 72 4.379 11.015 -2.660 1.00 0.00 C ATOM 1056 O GLN A 72 4.286 11.527 -3.763 1.00 0.00 O ATOM 1057 CB GLN A 72 5.508 8.769 -2.576 1.00 0.00 C ATOM 1058 CG GLN A 72 6.383 9.342 -3.692 1.00 0.00 C ATOM 1059 CD GLN A 72 7.441 10.268 -3.090 1.00 0.00 C ATOM 1060 OE1 GLN A 72 7.342 10.660 -1.944 1.00 0.00 O ATOM 1061 NE2 GLN A 72 8.456 10.637 -3.822 1.00 0.00 N ATOM 1062 OXT GLN A 72 4.634 11.634 -1.640 1.00 0.00 O ATOM 0 H GLN A 72 3.807 8.149 -4.161 1.00 0.00 H new ATOM 0 HA GLN A 72 3.624 9.322 -1.622 1.00 0.00 H new ATOM 0 HB2 GLN A 72 6.011 8.876 -1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.349 7.703 -2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.864 8.533 -4.242 1.00 0.00 H new ATOM 0 HG3 GLN A 72 5.768 9.891 -4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.538 10.307 -4.784 1.00 0.00 H new ATOM 0 HE22 GLN A 72 9.168 11.255 -3.433 1.00 0.00 H new