USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, 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 20 THR OG1 : rot 81:sc= 0.0799 USER MOD Set 1.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 4 THR OG1 : rot -108:sc= 0.251! USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= -1.23 USER MOD Set 3.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.208 K(o=-0.21,f=-0.99) USER MOD Single : A 6 THR OG1 : rot -144:sc= -1.8! USER MOD Single : A 12 MET CE :methyl -131:sc= -12.3! (180deg=-21.6!) USER MOD Single : A 13 THR OG1 : rot -48:sc= 0.58 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 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.664) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0384 K(o=-0.038,f=-1.2!) USER MOD Single : A 56 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.408) USER MOD Single : A 58 THR OG1 : rot 141:sc= -0.864 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -160:sc= -5.37! USER MOD Single : A 68 SER OG : rot 135:sc= -3.33! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0168 K(o=-0.017,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.227 1.983 -0.835 1.00 0.00 N ATOM 2 CA ALA A 1 -16.997 1.422 -0.205 1.00 0.00 C ATOM 3 C ALA A 1 -15.873 1.322 -1.236 1.00 0.00 C ATOM 4 O ALA A 1 -15.530 0.254 -1.689 1.00 0.00 O ATOM 5 CB ALA A 1 -17.402 0.034 0.285 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.983 2.046 -0.124 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.024 2.932 -1.209 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.533 1.363 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.626 2.048 0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.548 -0.447 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.216 0.125 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.731 -0.569 -0.561 1.00 0.00 H new ATOM 13 N THR A 2 -15.294 2.434 -1.589 1.00 0.00 N ATOM 14 CA THR A 2 -14.191 2.458 -2.567 1.00 0.00 C ATOM 15 C THR A 2 -13.314 3.656 -2.228 1.00 0.00 C ATOM 16 O THR A 2 -13.553 4.762 -2.670 1.00 0.00 O ATOM 17 CB THR A 2 -14.856 2.648 -3.921 1.00 0.00 C ATOM 18 OG1 THR A 2 -16.225 2.989 -3.743 1.00 0.00 O ATOM 19 CG2 THR A 2 -14.748 1.354 -4.722 1.00 0.00 C ATOM 0 H THR A 2 -15.553 3.351 -1.225 1.00 0.00 H new ATOM 0 HA THR A 2 -13.578 1.557 -2.562 1.00 0.00 H new ATOM 0 HB THR A 2 -14.357 3.453 -4.460 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.648 3.112 -4.618 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.224 1.487 -5.694 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.697 1.101 -4.864 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.245 0.549 -4.181 1.00 0.00 H new ATOM 27 N GLN A 3 -12.338 3.455 -1.403 1.00 0.00 N ATOM 28 CA GLN A 3 -11.480 4.604 -0.980 1.00 0.00 C ATOM 29 C GLN A 3 -10.072 4.513 -1.565 1.00 0.00 C ATOM 30 O GLN A 3 -9.673 3.510 -2.112 1.00 0.00 O ATOM 31 CB GLN A 3 -11.416 4.513 0.547 1.00 0.00 C ATOM 32 CG GLN A 3 -12.806 4.216 1.119 1.00 0.00 C ATOM 33 CD GLN A 3 -13.287 5.419 1.932 1.00 0.00 C ATOM 34 OE1 GLN A 3 -12.505 6.067 2.599 1.00 0.00 O ATOM 35 NE2 GLN A 3 -14.549 5.746 1.904 1.00 0.00 N ATOM 0 H GLN A 3 -12.090 2.552 -0.999 1.00 0.00 H new ATOM 0 HA GLN A 3 -11.895 5.548 -1.333 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -10.718 3.730 0.843 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.038 5.449 0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.507 4.005 0.311 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.770 3.328 1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.205 5.201 1.344 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.880 6.546 2.442 1.00 0.00 H new ATOM 44 N THR A 4 -9.315 5.565 -1.436 1.00 0.00 N ATOM 45 CA THR A 4 -7.925 5.560 -1.967 1.00 0.00 C ATOM 46 C THR A 4 -7.016 6.358 -1.030 1.00 0.00 C ATOM 47 O THR A 4 -7.282 7.501 -0.716 1.00 0.00 O ATOM 48 CB THR A 4 -8.021 6.244 -3.331 1.00 0.00 C ATOM 49 OG1 THR A 4 -8.995 5.578 -4.123 1.00 0.00 O ATOM 50 CG2 THR A 4 -6.663 6.190 -4.033 1.00 0.00 C ATOM 0 H THR A 4 -9.601 6.433 -0.983 1.00 0.00 H new ATOM 0 HA THR A 4 -7.509 4.556 -2.047 1.00 0.00 H new ATOM 0 HB THR A 4 -8.311 7.286 -3.195 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.549 5.073 -4.834 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.736 6.679 -5.005 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.918 6.702 -3.424 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.366 5.150 -4.171 1.00 0.00 H new ATOM 58 N VAL A 5 -5.952 5.762 -0.576 1.00 0.00 N ATOM 59 CA VAL A 5 -5.029 6.481 0.350 1.00 0.00 C ATOM 60 C VAL A 5 -3.592 6.352 -0.141 1.00 0.00 C ATOM 61 O VAL A 5 -3.287 5.571 -1.019 1.00 0.00 O ATOM 62 CB VAL A 5 -5.190 5.777 1.701 1.00 0.00 C ATOM 63 CG1 VAL A 5 -4.684 6.694 2.816 1.00 0.00 C ATOM 64 CG2 VAL A 5 -6.668 5.453 1.944 1.00 0.00 C ATOM 0 H VAL A 5 -5.679 4.806 -0.805 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.256 7.545 0.413 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.613 4.852 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.798 6.194 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.632 6.924 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.261 7.619 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.777 4.952 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.247 6.376 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.032 4.799 1.151 1.00 0.00 H new ATOM 74 N THR A 6 -2.705 7.095 0.444 1.00 0.00 N ATOM 75 CA THR A 6 -1.279 7.008 0.051 1.00 0.00 C ATOM 76 C THR A 6 -0.537 6.327 1.188 1.00 0.00 C ATOM 77 O THR A 6 -1.019 6.279 2.300 1.00 0.00 O ATOM 78 CB THR A 6 -0.813 8.455 -0.147 1.00 0.00 C ATOM 79 OG1 THR A 6 0.389 8.462 -0.904 1.00 0.00 O ATOM 80 CG2 THR A 6 -0.566 9.118 1.209 1.00 0.00 C ATOM 0 H THR A 6 -2.908 7.766 1.185 1.00 0.00 H new ATOM 0 HA THR A 6 -1.104 6.437 -0.861 1.00 0.00 H new ATOM 0 HB THR A 6 -1.586 9.010 -0.678 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.976 9.177 -0.580 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.235 10.145 1.057 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.489 9.116 1.789 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.203 8.566 1.749 1.00 0.00 H new ATOM 88 N LEU A 7 0.605 5.775 0.937 1.00 0.00 N ATOM 89 CA LEU A 7 1.306 5.082 2.043 1.00 0.00 C ATOM 90 C LEU A 7 2.776 5.469 2.097 1.00 0.00 C ATOM 91 O LEU A 7 3.391 5.796 1.102 1.00 0.00 O ATOM 92 CB LEU A 7 1.160 3.589 1.735 1.00 0.00 C ATOM 93 CG LEU A 7 0.219 2.948 2.751 1.00 0.00 C ATOM 94 CD1 LEU A 7 -1.054 3.772 2.858 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.140 1.527 2.305 1.00 0.00 C ATOM 0 H LEU A 7 1.079 5.771 0.034 1.00 0.00 H new ATOM 0 HA LEU A 7 0.884 5.350 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.771 3.452 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.135 3.103 1.770 1.00 0.00 H new ATOM 0 HG LEU A 7 0.716 2.910 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.725 3.313 3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.807 4.783 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.544 3.812 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.812 1.075 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.632 1.564 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.768 0.929 2.229 1.00 0.00 H new ATOM 107 N ALA A 8 3.338 5.408 3.263 1.00 0.00 N ATOM 108 CA ALA A 8 4.779 5.742 3.428 1.00 0.00 C ATOM 109 C ALA A 8 5.485 4.564 4.099 1.00 0.00 C ATOM 110 O ALA A 8 5.370 4.361 5.291 1.00 0.00 O ATOM 111 CB ALA A 8 4.809 6.976 4.331 1.00 0.00 C ATOM 0 H ALA A 8 2.858 5.138 4.122 1.00 0.00 H new ATOM 0 HA ALA A 8 5.281 5.936 2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.842 7.280 4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.263 7.790 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.343 6.739 5.287 1.00 0.00 H new ATOM 117 N VAL A 9 6.194 3.772 3.342 1.00 0.00 N ATOM 118 CA VAL A 9 6.884 2.593 3.945 1.00 0.00 C ATOM 119 C VAL A 9 8.408 2.793 3.947 1.00 0.00 C ATOM 120 O VAL A 9 9.077 2.440 2.997 1.00 0.00 O ATOM 121 CB VAL A 9 6.486 1.411 3.056 1.00 0.00 C ATOM 122 CG1 VAL A 9 6.705 1.770 1.587 1.00 0.00 C ATOM 123 CG2 VAL A 9 7.333 0.189 3.416 1.00 0.00 C ATOM 0 H VAL A 9 6.326 3.888 2.337 1.00 0.00 H new ATOM 0 HA VAL A 9 6.599 2.436 4.985 1.00 0.00 H new ATOM 0 HB VAL A 9 5.432 1.182 3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.420 0.925 0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.095 2.636 1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.757 2.006 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.048 -0.651 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.387 0.419 3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.168 -0.073 4.461 1.00 0.00 H new ATOM 133 N PRO A 10 8.911 3.349 5.026 1.00 0.00 N ATOM 134 CA PRO A 10 10.368 3.588 5.159 1.00 0.00 C ATOM 135 C PRO A 10 11.121 2.256 5.228 1.00 0.00 C ATOM 136 O PRO A 10 12.332 2.211 5.138 1.00 0.00 O ATOM 137 CB PRO A 10 10.467 4.337 6.490 1.00 0.00 C ATOM 138 CG PRO A 10 9.073 4.361 7.145 1.00 0.00 C ATOM 139 CD PRO A 10 8.057 3.771 6.160 1.00 0.00 C ATOM 0 HA PRO A 10 10.800 4.137 4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.185 3.847 7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.826 5.353 6.327 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.080 3.785 8.070 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.796 5.382 7.407 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.514 2.931 6.593 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.314 4.508 5.855 1.00 0.00 H new ATOM 147 N GLY A 11 10.412 1.170 5.386 1.00 0.00 N ATOM 148 CA GLY A 11 11.085 -0.155 5.458 1.00 0.00 C ATOM 149 C GLY A 11 11.687 -0.495 4.095 1.00 0.00 C ATOM 150 O GLY A 11 12.394 -1.471 3.944 1.00 0.00 O ATOM 0 H GLY A 11 9.396 1.145 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.866 -0.137 6.218 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.370 -0.923 5.753 1.00 0.00 H new ATOM 154 N MET A 12 11.415 0.305 3.099 1.00 0.00 N ATOM 155 CA MET A 12 11.978 0.025 1.750 1.00 0.00 C ATOM 156 C MET A 12 12.503 1.313 1.108 1.00 0.00 C ATOM 157 O MET A 12 12.109 2.408 1.459 1.00 0.00 O ATOM 158 CB MET A 12 10.815 -0.550 0.936 1.00 0.00 C ATOM 159 CG MET A 12 9.573 0.328 1.105 1.00 0.00 C ATOM 160 SD MET A 12 9.768 1.849 0.142 1.00 0.00 S ATOM 161 CE MET A 12 8.279 1.679 -0.868 1.00 0.00 C ATOM 0 H MET A 12 10.829 1.137 3.162 1.00 0.00 H new ATOM 0 HA MET A 12 12.819 -0.667 1.797 1.00 0.00 H new ATOM 0 HB2 MET A 12 11.090 -0.606 -0.117 1.00 0.00 H new ATOM 0 HB3 MET A 12 10.599 -1.567 1.264 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.686 -0.212 0.775 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.426 0.569 2.158 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.531 1.834 -1.917 1.00 0.00 H new ATOM 0 HE2 MET A 12 7.864 0.680 -0.739 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.543 2.421 -0.558 1.00 0.00 H new ATOM 171 N THR A 13 13.388 1.175 0.166 1.00 0.00 N ATOM 172 CA THR A 13 13.966 2.359 -0.533 1.00 0.00 C ATOM 173 C THR A 13 14.983 1.881 -1.575 1.00 0.00 C ATOM 174 O THR A 13 15.984 2.521 -1.827 1.00 0.00 O ATOM 175 CB THR A 13 14.658 3.169 0.564 1.00 0.00 C ATOM 176 OG1 THR A 13 15.159 4.378 0.013 1.00 0.00 O ATOM 177 CG2 THR A 13 15.812 2.353 1.146 1.00 0.00 C ATOM 0 H THR A 13 13.744 0.276 -0.158 1.00 0.00 H new ATOM 0 HA THR A 13 13.215 2.953 -1.055 1.00 0.00 H new ATOM 0 HB THR A 13 13.944 3.400 1.354 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.644 4.183 -0.816 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.307 2.929 1.928 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.425 1.425 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.528 2.122 0.358 1.00 0.00 H new ATOM 185 N CYS A 14 14.730 0.746 -2.170 1.00 0.00 N ATOM 186 CA CYS A 14 15.669 0.193 -3.186 1.00 0.00 C ATOM 187 C CYS A 14 14.927 -0.844 -4.038 1.00 0.00 C ATOM 188 O CYS A 14 14.330 -1.747 -3.508 1.00 0.00 O ATOM 189 CB CYS A 14 16.805 -0.433 -2.346 1.00 0.00 C ATOM 190 SG CYS A 14 16.830 -2.249 -2.473 1.00 0.00 S ATOM 0 H CYS A 14 13.904 0.174 -1.993 1.00 0.00 H new ATOM 0 HA CYS A 14 16.063 0.932 -3.883 1.00 0.00 H new ATOM 0 HB2 CYS A 14 17.763 -0.034 -2.678 1.00 0.00 H new ATOM 0 HB3 CYS A 14 16.684 -0.145 -1.302 1.00 0.00 H new ATOM 195 N ALA A 15 14.958 -0.712 -5.341 1.00 0.00 N ATOM 196 CA ALA A 15 14.242 -1.689 -6.231 1.00 0.00 C ATOM 197 C ALA A 15 14.296 -3.118 -5.663 1.00 0.00 C ATOM 198 O ALA A 15 15.133 -3.916 -6.036 1.00 0.00 O ATOM 199 CB ALA A 15 14.985 -1.615 -7.565 1.00 0.00 C ATOM 0 H ALA A 15 15.450 0.034 -5.833 1.00 0.00 H new ATOM 0 HA ALA A 15 13.184 -1.445 -6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.525 -2.301 -8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.932 -0.599 -7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.028 -1.893 -7.416 1.00 0.00 H new ATOM 205 N ALA A 16 13.405 -3.435 -4.762 1.00 0.00 N ATOM 206 CA ALA A 16 13.381 -4.795 -4.152 1.00 0.00 C ATOM 207 C ALA A 16 12.269 -4.855 -3.097 1.00 0.00 C ATOM 208 O ALA A 16 11.277 -5.538 -3.256 1.00 0.00 O ATOM 209 CB ALA A 16 14.754 -4.965 -3.501 1.00 0.00 C ATOM 0 H ALA A 16 12.684 -2.801 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 16 13.186 -5.582 -4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.814 -5.946 -3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 16 15.530 -4.880 -4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.898 -4.190 -2.748 1.00 0.00 H new ATOM 215 N CYS A 17 12.435 -4.124 -2.025 1.00 0.00 N ATOM 216 CA CYS A 17 11.401 -4.103 -0.945 1.00 0.00 C ATOM 217 C CYS A 17 10.260 -3.129 -1.294 1.00 0.00 C ATOM 218 O CYS A 17 9.107 -3.462 -1.120 1.00 0.00 O ATOM 219 CB CYS A 17 12.128 -3.638 0.328 1.00 0.00 C ATOM 220 SG CYS A 17 13.798 -4.348 0.403 1.00 0.00 S ATOM 0 H CYS A 17 13.249 -3.535 -1.849 1.00 0.00 H new ATOM 0 HA CYS A 17 10.949 -5.086 -0.816 1.00 0.00 H new ATOM 0 HB2 CYS A 17 12.188 -2.550 0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.559 -3.937 1.208 1.00 0.00 H new ATOM 225 N PRO A 18 10.598 -1.956 -1.779 1.00 0.00 N ATOM 226 CA PRO A 18 9.558 -0.964 -2.144 1.00 0.00 C ATOM 227 C PRO A 18 8.563 -1.597 -3.109 1.00 0.00 C ATOM 228 O PRO A 18 7.375 -1.624 -2.873 1.00 0.00 O ATOM 229 CB PRO A 18 10.381 0.111 -2.837 1.00 0.00 C ATOM 230 CG PRO A 18 11.842 -0.102 -2.470 1.00 0.00 C ATOM 231 CD PRO A 18 12.004 -1.547 -2.001 1.00 0.00 C ATOM 0 HA PRO A 18 8.972 -0.588 -1.306 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.248 0.055 -3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.051 1.102 -2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.483 0.094 -3.329 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.142 0.590 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.496 -2.167 -2.750 1.00 0.00 H new ATOM 0 HD3 PRO A 18 12.598 -1.616 -1.090 1.00 0.00 H new ATOM 239 N ILE A 19 9.053 -2.107 -4.197 1.00 0.00 N ATOM 240 CA ILE A 19 8.157 -2.768 -5.188 1.00 0.00 C ATOM 241 C ILE A 19 7.321 -3.854 -4.492 1.00 0.00 C ATOM 242 O ILE A 19 6.223 -4.168 -4.909 1.00 0.00 O ATOM 243 CB ILE A 19 9.104 -3.411 -6.200 1.00 0.00 C ATOM 244 CG1 ILE A 19 9.702 -2.334 -7.106 1.00 0.00 C ATOM 245 CG2 ILE A 19 8.335 -4.422 -7.051 1.00 0.00 C ATOM 246 CD1 ILE A 19 10.679 -2.981 -8.089 1.00 0.00 C ATOM 0 H ILE A 19 10.042 -2.097 -4.448 1.00 0.00 H new ATOM 0 HA ILE A 19 7.464 -2.068 -5.654 1.00 0.00 H new ATOM 0 HB ILE A 19 9.907 -3.920 -5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.910 -1.820 -7.650 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.216 -1.583 -6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.012 -4.880 -7.772 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.914 -5.194 -6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.530 -3.914 -7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.106 -2.214 -8.735 1.00 0.00 H new ATOM 0 HD12 ILE A 19 11.478 -3.475 -7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.151 -3.715 -8.697 1.00 0.00 H new ATOM 258 N THR A 20 7.833 -4.424 -3.428 1.00 0.00 N ATOM 259 CA THR A 20 7.074 -5.481 -2.705 1.00 0.00 C ATOM 260 C THR A 20 5.870 -4.849 -2.026 1.00 0.00 C ATOM 261 O THR A 20 4.831 -5.458 -1.875 1.00 0.00 O ATOM 262 CB THR A 20 8.051 -6.041 -1.668 1.00 0.00 C ATOM 263 OG1 THR A 20 9.279 -6.370 -2.305 1.00 0.00 O ATOM 264 CG2 THR A 20 7.451 -7.296 -1.032 1.00 0.00 C ATOM 0 H THR A 20 8.746 -4.199 -3.032 1.00 0.00 H new ATOM 0 HA THR A 20 6.706 -6.267 -3.365 1.00 0.00 H new ATOM 0 HB THR A 20 8.233 -5.294 -0.895 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.817 -5.558 -2.418 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.145 -7.697 -0.293 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.509 -7.043 -0.545 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.271 -8.044 -1.804 1.00 0.00 H new ATOM 272 N VAL A 21 6.002 -3.618 -1.635 1.00 0.00 N ATOM 273 CA VAL A 21 4.875 -2.919 -0.991 1.00 0.00 C ATOM 274 C VAL A 21 3.765 -2.757 -2.018 1.00 0.00 C ATOM 275 O VAL A 21 2.593 -2.805 -1.702 1.00 0.00 O ATOM 276 CB VAL A 21 5.423 -1.550 -0.579 1.00 0.00 C ATOM 277 CG1 VAL A 21 4.269 -0.650 -0.133 1.00 0.00 C ATOM 278 CG2 VAL A 21 6.411 -1.717 0.575 1.00 0.00 C ATOM 0 H VAL A 21 6.853 -3.065 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 21 4.475 -3.456 -0.131 1.00 0.00 H new ATOM 0 HB VAL A 21 5.932 -1.096 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.660 0.324 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.565 -0.526 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.759 -1.106 0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.799 -0.741 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.904 -2.174 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.236 -2.356 0.258 1.00 0.00 H new ATOM 288 N LYS A 22 4.137 -2.585 -3.259 1.00 0.00 N ATOM 289 CA LYS A 22 3.116 -2.434 -4.317 1.00 0.00 C ATOM 290 C LYS A 22 2.424 -3.772 -4.512 1.00 0.00 C ATOM 291 O LYS A 22 1.247 -3.843 -4.805 1.00 0.00 O ATOM 292 CB LYS A 22 3.881 -2.026 -5.578 1.00 0.00 C ATOM 293 CG LYS A 22 2.919 -1.991 -6.768 1.00 0.00 C ATOM 294 CD LYS A 22 3.236 -0.779 -7.647 1.00 0.00 C ATOM 295 CE LYS A 22 2.348 -0.807 -8.894 1.00 0.00 C ATOM 296 NZ LYS A 22 3.285 -0.632 -10.038 1.00 0.00 N ATOM 0 H LYS A 22 5.105 -2.544 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 22 2.355 -1.693 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.339 -1.047 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.689 -2.731 -5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.010 -2.909 -7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.889 -1.938 -6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.069 0.142 -7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.287 -0.790 -7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.804 -1.748 -8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.605 -0.010 -8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.750 -0.641 -10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.784 0.276 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.977 -1.409 -10.042 1.00 0.00 H new ATOM 310 N LYS A 23 3.150 -4.840 -4.334 1.00 0.00 N ATOM 311 CA LYS A 23 2.532 -6.177 -4.491 1.00 0.00 C ATOM 312 C LYS A 23 1.649 -6.467 -3.285 1.00 0.00 C ATOM 313 O LYS A 23 0.667 -7.177 -3.368 1.00 0.00 O ATOM 314 CB LYS A 23 3.702 -7.164 -4.563 1.00 0.00 C ATOM 315 CG LYS A 23 4.661 -6.761 -5.689 1.00 0.00 C ATOM 316 CD LYS A 23 3.867 -6.237 -6.888 1.00 0.00 C ATOM 317 CE LYS A 23 4.747 -6.275 -8.140 1.00 0.00 C ATOM 318 NZ LYS A 23 4.275 -7.461 -8.906 1.00 0.00 N ATOM 0 H LYS A 23 4.140 -4.841 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 23 1.905 -6.248 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.233 -7.181 -3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.327 -8.173 -4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.350 -5.994 -5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.265 -7.618 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.974 -6.844 -7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.531 -5.218 -6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.642 -5.361 -8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.801 -6.368 -7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.831 -7.554 -9.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.393 -8.317 -8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.270 -7.342 -9.147 1.00 0.00 H new ATOM 332 N ALA A 24 1.999 -5.905 -2.168 1.00 0.00 N ATOM 333 CA ALA A 24 1.207 -6.112 -0.930 1.00 0.00 C ATOM 334 C ALA A 24 -0.201 -5.552 -1.117 1.00 0.00 C ATOM 335 O ALA A 24 -1.183 -6.194 -0.802 1.00 0.00 O ATOM 336 CB ALA A 24 1.956 -5.334 0.152 1.00 0.00 C ATOM 0 H ALA A 24 2.814 -5.301 -2.058 1.00 0.00 H new ATOM 0 HA ALA A 24 1.102 -7.166 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.432 -5.437 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.967 -5.729 0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.003 -4.281 -0.124 1.00 0.00 H new ATOM 342 N LEU A 25 -0.309 -4.362 -1.644 1.00 0.00 N ATOM 343 CA LEU A 25 -1.662 -3.777 -1.864 1.00 0.00 C ATOM 344 C LEU A 25 -2.324 -4.499 -3.031 1.00 0.00 C ATOM 345 O LEU A 25 -3.519 -4.706 -3.058 1.00 0.00 O ATOM 346 CB LEU A 25 -1.429 -2.307 -2.217 1.00 0.00 C ATOM 347 CG LEU A 25 -0.391 -1.699 -1.277 1.00 0.00 C ATOM 348 CD1 LEU A 25 0.741 -1.113 -2.113 1.00 0.00 C ATOM 349 CD2 LEU A 25 -1.038 -0.590 -0.443 1.00 0.00 C ATOM 0 H LEU A 25 0.474 -3.774 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.306 -3.874 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.090 -2.222 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.366 -1.754 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.002 -2.467 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.491 -0.675 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.199 -1.902 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.344 -0.343 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.295 -0.158 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.424 0.185 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.857 -1.007 0.144 1.00 0.00 H new ATOM 361 N SER A 26 -1.542 -4.903 -3.989 1.00 0.00 N ATOM 362 CA SER A 26 -2.104 -5.629 -5.151 1.00 0.00 C ATOM 363 C SER A 26 -2.677 -6.951 -4.666 1.00 0.00 C ATOM 364 O SER A 26 -3.480 -7.577 -5.329 1.00 0.00 O ATOM 365 CB SER A 26 -0.919 -5.862 -6.087 1.00 0.00 C ATOM 366 OG SER A 26 -1.389 -6.404 -7.314 1.00 0.00 O ATOM 0 H SER A 26 -0.532 -4.759 -4.015 1.00 0.00 H new ATOM 0 HA SER A 26 -2.902 -5.084 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.394 -4.924 -6.268 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.205 -6.543 -5.625 1.00 0.00 H new ATOM 0 HG SER A 26 -0.631 -6.553 -7.917 1.00 0.00 H new ATOM 372 N LYS A 27 -2.269 -7.381 -3.502 1.00 0.00 N ATOM 373 CA LYS A 27 -2.793 -8.659 -2.975 1.00 0.00 C ATOM 374 C LYS A 27 -3.348 -8.476 -1.558 1.00 0.00 C ATOM 375 O LYS A 27 -3.671 -9.436 -0.885 1.00 0.00 O ATOM 376 CB LYS A 27 -1.591 -9.603 -2.963 1.00 0.00 C ATOM 377 CG LYS A 27 -0.575 -9.116 -1.928 1.00 0.00 C ATOM 378 CD LYS A 27 -0.997 -9.587 -0.537 1.00 0.00 C ATOM 379 CE LYS A 27 0.201 -10.210 0.182 1.00 0.00 C ATOM 380 NZ LYS A 27 -0.264 -11.562 0.599 1.00 0.00 N ATOM 0 H LYS A 27 -1.599 -6.901 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.613 -9.045 -3.581 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.913 -10.617 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.132 -9.638 -3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.417 -9.500 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.510 -8.028 -1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.383 -8.747 0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.804 -10.316 -0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.067 -10.276 -0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.500 -9.612 1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.503 -12.054 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.085 -11.467 1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.536 -12.110 -0.242 1.00 0.00 H new ATOM 394 N VAL A 28 -3.451 -7.261 -1.087 1.00 0.00 N ATOM 395 CA VAL A 28 -3.974 -7.051 0.295 1.00 0.00 C ATOM 396 C VAL A 28 -5.281 -7.831 0.500 1.00 0.00 C ATOM 397 O VAL A 28 -5.399 -8.598 1.432 1.00 0.00 O ATOM 398 CB VAL A 28 -4.185 -5.536 0.441 1.00 0.00 C ATOM 399 CG1 VAL A 28 -5.260 -5.047 -0.529 1.00 0.00 C ATOM 400 CG2 VAL A 28 -4.621 -5.221 1.873 1.00 0.00 C ATOM 0 H VAL A 28 -3.198 -6.413 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.281 -7.417 1.053 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.247 -5.029 0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.395 -3.972 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.953 -5.264 -1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.200 -5.556 -0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.771 -4.147 1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.553 -5.741 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.849 -5.550 2.569 1.00 0.00 H new ATOM 410 N GLU A 29 -6.253 -7.659 -0.367 1.00 0.00 N ATOM 411 CA GLU A 29 -7.542 -8.404 -0.222 1.00 0.00 C ATOM 412 C GLU A 29 -8.630 -7.783 -1.106 1.00 0.00 C ATOM 413 O GLU A 29 -9.328 -8.475 -1.820 1.00 0.00 O ATOM 414 CB GLU A 29 -7.946 -8.288 1.251 1.00 0.00 C ATOM 415 CG GLU A 29 -7.774 -6.847 1.742 1.00 0.00 C ATOM 416 CD GLU A 29 -7.524 -6.854 3.252 1.00 0.00 C ATOM 417 OE1 GLU A 29 -8.396 -7.306 3.975 1.00 0.00 O ATOM 418 OE2 GLU A 29 -6.464 -6.407 3.659 1.00 0.00 O ATOM 0 H GLU A 29 -6.207 -7.032 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.423 -9.443 -0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.983 -8.600 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.337 -8.960 1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.940 -6.372 1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.665 -6.263 1.512 1.00 0.00 H new ATOM 425 N GLY A 30 -8.794 -6.487 -1.054 1.00 0.00 N ATOM 426 CA GLY A 30 -9.855 -5.844 -1.882 1.00 0.00 C ATOM 427 C GLY A 30 -9.262 -4.742 -2.762 1.00 0.00 C ATOM 428 O GLY A 30 -9.974 -4.076 -3.486 1.00 0.00 O ATOM 0 H GLY A 30 -8.243 -5.850 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.340 -6.594 -2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.624 -5.424 -1.234 1.00 0.00 H new ATOM 432 N VAL A 31 -7.972 -4.541 -2.717 1.00 0.00 N ATOM 433 CA VAL A 31 -7.361 -3.477 -3.569 1.00 0.00 C ATOM 434 C VAL A 31 -7.979 -3.522 -4.965 1.00 0.00 C ATOM 435 O VAL A 31 -8.059 -4.558 -5.595 1.00 0.00 O ATOM 436 CB VAL A 31 -5.852 -3.787 -3.589 1.00 0.00 C ATOM 437 CG1 VAL A 31 -5.299 -3.775 -5.022 1.00 0.00 C ATOM 438 CG2 VAL A 31 -5.119 -2.725 -2.765 1.00 0.00 C ATOM 0 H VAL A 31 -7.319 -5.062 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.538 -2.471 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.697 -4.781 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.232 -3.997 -5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.815 -4.528 -5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.457 -2.791 -5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.049 -2.934 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.299 -1.741 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.486 -2.743 -1.739 1.00 0.00 H new ATOM 448 N SER A 32 -8.403 -2.397 -5.446 1.00 0.00 N ATOM 449 CA SER A 32 -9.007 -2.345 -6.798 1.00 0.00 C ATOM 450 C SER A 32 -8.051 -1.623 -7.735 1.00 0.00 C ATOM 451 O SER A 32 -8.188 -1.664 -8.942 1.00 0.00 O ATOM 452 CB SER A 32 -10.304 -1.558 -6.627 1.00 0.00 C ATOM 453 OG SER A 32 -11.379 -2.465 -6.417 1.00 0.00 O ATOM 0 H SER A 32 -8.357 -1.503 -4.958 1.00 0.00 H new ATOM 0 HA SER A 32 -9.200 -3.331 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.219 -0.874 -5.782 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.493 -0.950 -7.512 1.00 0.00 H new ATOM 0 HG SER A 32 -12.213 -1.963 -6.305 1.00 0.00 H new ATOM 459 N LYS A 33 -7.073 -0.969 -7.180 1.00 0.00 N ATOM 460 CA LYS A 33 -6.089 -0.247 -8.034 1.00 0.00 C ATOM 461 C LYS A 33 -4.844 0.084 -7.209 1.00 0.00 C ATOM 462 O LYS A 33 -4.862 0.015 -5.998 1.00 0.00 O ATOM 463 CB LYS A 33 -6.829 1.016 -8.495 1.00 0.00 C ATOM 464 CG LYS A 33 -5.839 2.143 -8.804 1.00 0.00 C ATOM 465 CD LYS A 33 -5.125 1.851 -10.126 1.00 0.00 C ATOM 466 CE LYS A 33 -5.525 2.899 -11.167 1.00 0.00 C ATOM 467 NZ LYS A 33 -5.958 2.113 -12.356 1.00 0.00 N ATOM 0 H LYS A 33 -6.911 -0.902 -6.175 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.743 -0.830 -8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.421 0.793 -9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.525 1.339 -7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.365 3.096 -8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.111 2.232 -7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.045 1.864 -9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.387 0.854 -10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.331 3.534 -10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.688 3.554 -11.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.248 2.763 -13.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.169 1.523 -12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.760 1.504 -12.096 1.00 0.00 H new ATOM 481 N VAL A 34 -3.759 0.427 -7.847 1.00 0.00 N ATOM 482 CA VAL A 34 -2.525 0.743 -7.075 1.00 0.00 C ATOM 483 C VAL A 34 -1.627 1.718 -7.842 1.00 0.00 C ATOM 484 O VAL A 34 -1.751 1.893 -9.038 1.00 0.00 O ATOM 485 CB VAL A 34 -1.820 -0.601 -6.897 1.00 0.00 C ATOM 486 CG1 VAL A 34 -1.536 -1.215 -8.269 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.501 -0.387 -6.153 1.00 0.00 C ATOM 0 H VAL A 34 -3.673 0.502 -8.861 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.756 1.223 -6.124 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.458 -1.273 -6.324 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.033 -2.174 -8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.475 -1.366 -8.802 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.897 -0.544 -8.843 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.004 -1.344 -6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.136 0.285 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.702 0.051 -5.175 1.00 0.00 H new ATOM 497 N ASP A 35 -0.718 2.347 -7.148 1.00 0.00 N ATOM 498 CA ASP A 35 0.211 3.310 -7.797 1.00 0.00 C ATOM 499 C ASP A 35 1.313 3.650 -6.798 1.00 0.00 C ATOM 500 O ASP A 35 1.268 4.659 -6.124 1.00 0.00 O ATOM 501 CB ASP A 35 -0.638 4.542 -8.113 1.00 0.00 C ATOM 502 CG ASP A 35 -1.277 4.383 -9.494 1.00 0.00 C ATOM 503 OD1 ASP A 35 -0.572 4.555 -10.475 1.00 0.00 O ATOM 504 OD2 ASP A 35 -2.462 4.094 -9.548 1.00 0.00 O ATOM 0 H ASP A 35 -0.579 2.231 -6.144 1.00 0.00 H new ATOM 0 HA ASP A 35 0.679 2.921 -8.701 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.411 4.667 -7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.019 5.439 -8.088 1.00 0.00 H new ATOM 509 N VAL A 36 2.284 2.791 -6.671 1.00 0.00 N ATOM 510 CA VAL A 36 3.367 3.034 -5.680 1.00 0.00 C ATOM 511 C VAL A 36 4.680 3.406 -6.364 1.00 0.00 C ATOM 512 O VAL A 36 4.866 3.207 -7.547 1.00 0.00 O ATOM 513 CB VAL A 36 3.520 1.697 -4.955 1.00 0.00 C ATOM 514 CG1 VAL A 36 4.509 1.846 -3.798 1.00 0.00 C ATOM 515 CG2 VAL A 36 2.160 1.250 -4.415 1.00 0.00 C ATOM 0 H VAL A 36 2.374 1.930 -7.211 1.00 0.00 H new ATOM 0 HA VAL A 36 3.125 3.862 -5.013 1.00 0.00 H new ATOM 0 HB VAL A 36 3.896 0.949 -5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.615 0.890 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.478 2.159 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.140 2.595 -3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.269 0.297 -3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.781 1.999 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.460 1.136 -5.242 1.00 0.00 H new ATOM 525 N GLY A 37 5.597 3.928 -5.601 1.00 0.00 N ATOM 526 CA GLY A 37 6.919 4.306 -6.149 1.00 0.00 C ATOM 527 C GLY A 37 7.981 3.627 -5.297 1.00 0.00 C ATOM 528 O GLY A 37 8.192 3.985 -4.150 1.00 0.00 O ATOM 0 H GLY A 37 5.480 4.110 -4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.006 3.994 -7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.047 5.388 -6.129 1.00 0.00 H new ATOM 532 N PHE A 38 8.619 2.622 -5.827 1.00 0.00 N ATOM 533 CA PHE A 38 9.638 1.893 -5.046 1.00 0.00 C ATOM 534 C PHE A 38 10.685 2.844 -4.448 1.00 0.00 C ATOM 535 O PHE A 38 10.431 3.494 -3.458 1.00 0.00 O ATOM 536 CB PHE A 38 10.271 0.907 -6.037 1.00 0.00 C ATOM 537 CG PHE A 38 10.505 1.559 -7.391 1.00 0.00 C ATOM 538 CD1 PHE A 38 10.600 2.954 -7.514 1.00 0.00 C ATOM 539 CD2 PHE A 38 10.633 0.753 -8.529 1.00 0.00 C ATOM 540 CE1 PHE A 38 10.821 3.536 -8.769 1.00 0.00 C ATOM 541 CE2 PHE A 38 10.855 1.336 -9.784 1.00 0.00 C ATOM 542 CZ PHE A 38 10.949 2.727 -9.903 1.00 0.00 C ATOM 0 H PHE A 38 8.472 2.277 -6.776 1.00 0.00 H new ATOM 0 HA PHE A 38 9.198 1.380 -4.191 1.00 0.00 H new ATOM 0 HB2 PHE A 38 11.218 0.544 -5.637 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.621 0.040 -6.156 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.503 3.580 -6.639 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.560 -0.321 -8.439 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.893 4.610 -8.861 1.00 0.00 H new ATOM 0 HE2 PHE A 38 10.954 0.711 -10.660 1.00 0.00 H new ATOM 0 HZ PHE A 38 11.120 3.176 -10.870 1.00 0.00 H new ATOM 552 N GLU A 39 11.862 2.903 -5.033 1.00 0.00 N ATOM 553 CA GLU A 39 12.958 3.789 -4.513 1.00 0.00 C ATOM 554 C GLU A 39 12.416 4.947 -3.662 1.00 0.00 C ATOM 555 O GLU A 39 12.647 5.007 -2.471 1.00 0.00 O ATOM 556 CB GLU A 39 13.647 4.329 -5.766 1.00 0.00 C ATOM 557 CG GLU A 39 14.570 3.255 -6.344 1.00 0.00 C ATOM 558 CD GLU A 39 14.833 3.549 -7.823 1.00 0.00 C ATOM 559 OE1 GLU A 39 14.144 4.393 -8.370 1.00 0.00 O ATOM 560 OE2 GLU A 39 15.719 2.924 -8.383 1.00 0.00 O ATOM 0 H GLU A 39 12.113 2.365 -5.863 1.00 0.00 H new ATOM 0 HA GLU A 39 13.633 3.236 -3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.902 4.620 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.220 5.223 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.511 3.234 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.114 2.271 -6.233 1.00 0.00 H new ATOM 567 N LYS A 40 11.705 5.868 -4.258 1.00 0.00 N ATOM 568 CA LYS A 40 11.161 7.016 -3.470 1.00 0.00 C ATOM 569 C LYS A 40 10.612 6.524 -2.127 1.00 0.00 C ATOM 570 O LYS A 40 11.016 7.000 -1.089 1.00 0.00 O ATOM 571 CB LYS A 40 10.038 7.599 -4.330 1.00 0.00 C ATOM 572 CG LYS A 40 9.645 8.978 -3.795 1.00 0.00 C ATOM 573 CD LYS A 40 10.901 9.833 -3.608 1.00 0.00 C ATOM 574 CE LYS A 40 10.535 11.313 -3.734 1.00 0.00 C ATOM 575 NZ LYS A 40 9.487 11.539 -2.699 1.00 0.00 N ATOM 0 H LYS A 40 11.478 5.876 -5.252 1.00 0.00 H new ATOM 0 HA LYS A 40 11.926 7.760 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.365 7.680 -5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.175 6.934 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.960 9.467 -4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.118 8.875 -2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.344 9.639 -2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.649 9.568 -4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.403 11.950 -3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.161 11.544 -4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.448 12.550 -2.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.563 11.235 -3.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.717 10.989 -1.847 1.00 0.00 H new ATOM 589 N ARG A 41 9.700 5.571 -2.175 1.00 0.00 N ATOM 590 CA ARG A 41 9.061 4.965 -0.946 1.00 0.00 C ATOM 591 C ARG A 41 7.688 5.582 -0.688 1.00 0.00 C ATOM 592 O ARG A 41 7.515 6.402 0.191 1.00 0.00 O ATOM 593 CB ARG A 41 9.988 5.210 0.249 1.00 0.00 C ATOM 594 CG ARG A 41 9.441 4.486 1.483 1.00 0.00 C ATOM 595 CD ARG A 41 8.915 5.505 2.506 1.00 0.00 C ATOM 596 NE ARG A 41 9.986 6.535 2.616 1.00 0.00 N ATOM 597 CZ ARG A 41 9.744 7.670 3.217 1.00 0.00 C ATOM 598 NH1 ARG A 41 8.562 7.911 3.714 1.00 0.00 N ATOM 599 NH2 ARG A 41 10.686 8.567 3.317 1.00 0.00 N ATOM 0 H ARG A 41 9.359 5.173 -3.050 1.00 0.00 H new ATOM 0 HA ARG A 41 8.918 3.895 -1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.993 4.853 0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.067 6.279 0.448 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.640 3.807 1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.225 3.878 1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.976 5.947 2.174 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.722 5.033 3.469 1.00 0.00 H new ATOM 0 HE ARG A 41 10.909 6.354 2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.823 7.212 3.634 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.377 8.798 4.182 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.610 8.382 2.926 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.499 9.453 3.786 1.00 0.00 H new ATOM 613 N GLU A 42 6.708 5.183 -1.447 1.00 0.00 N ATOM 614 CA GLU A 42 5.331 5.736 -1.240 1.00 0.00 C ATOM 615 C GLU A 42 4.306 4.935 -2.048 1.00 0.00 C ATOM 616 O GLU A 42 4.337 4.932 -3.255 1.00 0.00 O ATOM 617 CB GLU A 42 5.407 7.172 -1.751 1.00 0.00 C ATOM 618 CG GLU A 42 4.542 8.066 -0.867 1.00 0.00 C ATOM 619 CD GLU A 42 3.384 8.631 -1.690 1.00 0.00 C ATOM 620 OE1 GLU A 42 3.087 8.062 -2.727 1.00 0.00 O ATOM 621 OE2 GLU A 42 2.813 9.623 -1.268 1.00 0.00 O ATOM 0 H GLU A 42 6.794 4.501 -2.200 1.00 0.00 H new ATOM 0 HA GLU A 42 5.019 5.685 -0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.440 7.520 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.064 7.221 -2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.157 7.496 -0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.141 8.879 -0.457 1.00 0.00 H new ATOM 628 N ALA A 43 3.393 4.253 -1.402 1.00 0.00 N ATOM 629 CA ALA A 43 2.399 3.451 -2.175 1.00 0.00 C ATOM 630 C ALA A 43 1.009 4.087 -2.130 1.00 0.00 C ATOM 631 O ALA A 43 0.410 4.229 -1.090 1.00 0.00 O ATOM 632 CB ALA A 43 2.377 2.091 -1.480 1.00 0.00 C ATOM 0 H ALA A 43 3.294 4.217 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 43 2.670 3.385 -3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.669 1.435 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.372 1.648 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.075 2.218 -0.441 1.00 0.00 H new ATOM 638 N VAL A 44 0.473 4.436 -3.263 1.00 0.00 N ATOM 639 CA VAL A 44 -0.889 5.029 -3.285 1.00 0.00 C ATOM 640 C VAL A 44 -1.832 3.999 -3.884 1.00 0.00 C ATOM 641 O VAL A 44 -1.652 3.555 -4.999 1.00 0.00 O ATOM 642 CB VAL A 44 -0.774 6.284 -4.154 1.00 0.00 C ATOM 643 CG1 VAL A 44 -2.124 6.601 -4.804 1.00 0.00 C ATOM 644 CG2 VAL A 44 -0.348 7.464 -3.276 1.00 0.00 C ATOM 0 H VAL A 44 0.919 4.336 -4.175 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.275 5.296 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.034 6.112 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.030 7.496 -5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.434 5.762 -5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.870 6.771 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.264 8.362 -3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.093 7.625 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.616 7.246 -2.817 1.00 0.00 H new ATOM 654 N VAL A 45 -2.803 3.569 -3.136 1.00 0.00 N ATOM 655 CA VAL A 45 -3.699 2.510 -3.671 1.00 0.00 C ATOM 656 C VAL A 45 -5.177 2.815 -3.437 1.00 0.00 C ATOM 657 O VAL A 45 -5.558 3.532 -2.534 1.00 0.00 O ATOM 658 CB VAL A 45 -3.277 1.256 -2.897 1.00 0.00 C ATOM 659 CG1 VAL A 45 -4.386 0.199 -2.944 1.00 0.00 C ATOM 660 CG2 VAL A 45 -2.003 0.683 -3.521 1.00 0.00 C ATOM 0 H VAL A 45 -3.015 3.897 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.604 2.410 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.094 1.527 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.070 -0.685 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.293 0.603 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.584 -0.074 -3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.699 -0.209 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.193 0.423 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.208 1.427 -3.472 1.00 0.00 H new ATOM 670 N THR A 46 -6.002 2.218 -4.247 1.00 0.00 N ATOM 671 CA THR A 46 -7.472 2.379 -4.117 1.00 0.00 C ATOM 672 C THR A 46 -8.044 1.007 -3.796 1.00 0.00 C ATOM 673 O THR A 46 -7.397 0.001 -4.019 1.00 0.00 O ATOM 674 CB THR A 46 -7.952 2.858 -5.486 1.00 0.00 C ATOM 675 OG1 THR A 46 -7.762 4.261 -5.590 1.00 0.00 O ATOM 676 CG2 THR A 46 -9.437 2.523 -5.657 1.00 0.00 C ATOM 0 H THR A 46 -5.710 1.610 -5.012 1.00 0.00 H new ATOM 0 HA THR A 46 -7.774 3.081 -3.339 1.00 0.00 H new ATOM 0 HB THR A 46 -7.380 2.357 -6.267 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.069 4.568 -6.468 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.777 2.866 -6.634 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.578 1.445 -5.581 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.014 3.020 -4.877 1.00 0.00 H new ATOM 684 N PHE A 47 -9.228 0.937 -3.273 1.00 0.00 N ATOM 685 CA PHE A 47 -9.783 -0.393 -2.943 1.00 0.00 C ATOM 686 C PHE A 47 -11.234 -0.285 -2.530 1.00 0.00 C ATOM 687 O PHE A 47 -11.818 0.776 -2.540 1.00 0.00 O ATOM 688 CB PHE A 47 -8.944 -0.870 -1.762 1.00 0.00 C ATOM 689 CG PHE A 47 -9.147 0.087 -0.612 1.00 0.00 C ATOM 690 CD1 PHE A 47 -10.202 -0.112 0.291 1.00 0.00 C ATOM 691 CD2 PHE A 47 -8.285 1.180 -0.451 1.00 0.00 C ATOM 692 CE1 PHE A 47 -10.392 0.781 1.350 1.00 0.00 C ATOM 693 CE2 PHE A 47 -8.478 2.070 0.611 1.00 0.00 C ATOM 694 CZ PHE A 47 -9.531 1.870 1.510 1.00 0.00 C ATOM 0 H PHE A 47 -9.829 1.733 -3.062 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.748 -1.073 -3.794 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.238 -1.879 -1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.890 -0.912 -2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.867 -0.954 0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.473 1.335 -1.146 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.205 0.629 2.045 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.814 2.912 0.737 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.679 2.558 2.329 1.00 0.00 H new ATOM 704 N ASP A 48 -11.796 -1.380 -2.126 1.00 0.00 N ATOM 705 CA ASP A 48 -13.202 -1.367 -1.665 1.00 0.00 C ATOM 706 C ASP A 48 -13.198 -1.518 -0.148 1.00 0.00 C ATOM 707 O ASP A 48 -12.804 -2.535 0.386 1.00 0.00 O ATOM 708 CB ASP A 48 -13.873 -2.565 -2.345 1.00 0.00 C ATOM 709 CG ASP A 48 -13.349 -3.874 -1.745 1.00 0.00 C ATOM 710 OD1 ASP A 48 -12.187 -3.916 -1.377 1.00 0.00 O ATOM 711 OD2 ASP A 48 -14.120 -4.816 -1.669 1.00 0.00 O ATOM 0 H ASP A 48 -11.338 -2.291 -2.095 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.734 -0.448 -1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.954 -2.506 -2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.675 -2.542 -3.417 1.00 0.00 H new ATOM 716 N ASP A 49 -13.591 -0.494 0.552 1.00 0.00 N ATOM 717 CA ASP A 49 -13.561 -0.564 2.040 1.00 0.00 C ATOM 718 C ASP A 49 -14.519 -1.644 2.551 1.00 0.00 C ATOM 719 O ASP A 49 -14.513 -1.989 3.716 1.00 0.00 O ATOM 720 CB ASP A 49 -13.977 0.837 2.512 1.00 0.00 C ATOM 721 CG ASP A 49 -14.640 0.760 3.893 1.00 0.00 C ATOM 722 OD1 ASP A 49 -14.029 0.206 4.791 1.00 0.00 O ATOM 723 OD2 ASP A 49 -15.747 1.255 4.025 1.00 0.00 O ATOM 0 H ASP A 49 -13.931 0.385 0.162 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.578 -0.836 2.424 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.103 1.487 2.557 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.667 1.280 1.794 1.00 0.00 H new ATOM 728 N THR A 50 -15.334 -2.188 1.695 1.00 0.00 N ATOM 729 CA THR A 50 -16.274 -3.250 2.149 1.00 0.00 C ATOM 730 C THR A 50 -15.483 -4.456 2.666 1.00 0.00 C ATOM 731 O THR A 50 -15.971 -5.238 3.458 1.00 0.00 O ATOM 732 CB THR A 50 -17.079 -3.623 0.905 1.00 0.00 C ATOM 733 OG1 THR A 50 -17.971 -4.683 1.222 1.00 0.00 O ATOM 734 CG2 THR A 50 -16.125 -4.066 -0.205 1.00 0.00 C ATOM 0 H THR A 50 -15.391 -1.946 0.706 1.00 0.00 H new ATOM 0 HA THR A 50 -16.920 -2.919 2.962 1.00 0.00 H new ATOM 0 HB THR A 50 -17.650 -2.759 0.565 1.00 0.00 H new ATOM 0 HG1 THR A 50 -18.490 -4.923 0.426 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.698 -4.332 -1.093 1.00 0.00 H new ATOM 0 HG22 THR A 50 -15.442 -3.251 -0.445 1.00 0.00 H new ATOM 0 HG23 THR A 50 -15.553 -4.931 0.131 1.00 0.00 H new ATOM 742 N LYS A 51 -14.261 -4.610 2.225 1.00 0.00 N ATOM 743 CA LYS A 51 -13.435 -5.763 2.693 1.00 0.00 C ATOM 744 C LYS A 51 -12.061 -5.280 3.149 1.00 0.00 C ATOM 745 O LYS A 51 -11.507 -5.757 4.119 1.00 0.00 O ATOM 746 CB LYS A 51 -13.303 -6.682 1.478 1.00 0.00 C ATOM 747 CG LYS A 51 -14.123 -7.951 1.707 1.00 0.00 C ATOM 748 CD LYS A 51 -14.299 -8.689 0.380 1.00 0.00 C ATOM 749 CE LYS A 51 -13.306 -9.851 0.308 1.00 0.00 C ATOM 750 NZ LYS A 51 -14.116 -11.067 0.595 1.00 0.00 N ATOM 0 H LYS A 51 -13.800 -3.988 1.561 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.890 -6.274 3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.650 -6.169 0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.256 -6.937 1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.622 -8.595 2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.097 -7.697 2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.319 -9.062 0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.136 -8.005 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.839 -9.911 -0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.503 -9.730 1.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.504 -11.907 0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.543 -10.985 1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.868 -11.160 -0.118 1.00 0.00 H new ATOM 764 N ALA A 52 -11.516 -4.334 2.452 1.00 0.00 N ATOM 765 CA ALA A 52 -10.177 -3.797 2.826 1.00 0.00 C ATOM 766 C ALA A 52 -10.323 -2.396 3.413 1.00 0.00 C ATOM 767 O ALA A 52 -11.413 -1.948 3.713 1.00 0.00 O ATOM 768 CB ALA A 52 -9.383 -3.751 1.519 1.00 0.00 C ATOM 0 H ALA A 52 -11.940 -3.902 1.631 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.681 -4.411 3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.383 -3.365 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.309 -4.756 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.891 -3.100 0.808 1.00 0.00 H new ATOM 774 N SER A 53 -9.237 -1.703 3.585 1.00 0.00 N ATOM 775 CA SER A 53 -9.314 -0.335 4.158 1.00 0.00 C ATOM 776 C SER A 53 -7.916 0.274 4.249 1.00 0.00 C ATOM 777 O SER A 53 -6.929 -0.427 4.313 1.00 0.00 O ATOM 778 CB SER A 53 -9.903 -0.532 5.554 1.00 0.00 C ATOM 779 OG SER A 53 -9.882 0.705 6.253 1.00 0.00 O ATOM 0 H SER A 53 -8.297 -2.025 3.353 1.00 0.00 H new ATOM 0 HA SER A 53 -9.916 0.340 3.550 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.925 -0.904 5.481 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.330 -1.281 6.100 1.00 0.00 H new ATOM 0 HG SER A 53 -10.261 0.581 7.148 1.00 0.00 H new ATOM 785 N VAL A 54 -7.825 1.573 4.257 1.00 0.00 N ATOM 786 CA VAL A 54 -6.490 2.223 4.357 1.00 0.00 C ATOM 787 C VAL A 54 -5.643 1.498 5.403 1.00 0.00 C ATOM 788 O VAL A 54 -4.466 1.268 5.213 1.00 0.00 O ATOM 789 CB VAL A 54 -6.782 3.656 4.795 1.00 0.00 C ATOM 790 CG1 VAL A 54 -7.600 3.641 6.087 1.00 0.00 C ATOM 791 CG2 VAL A 54 -5.463 4.385 5.037 1.00 0.00 C ATOM 0 H VAL A 54 -8.617 2.213 4.199 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.936 2.194 3.419 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.348 4.168 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.807 4.665 6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.540 3.116 5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.036 3.131 6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.665 5.409 5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.901 3.871 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.879 4.396 4.117 1.00 0.00 H new ATOM 801 N GLN A 55 -6.239 1.124 6.501 1.00 0.00 N ATOM 802 CA GLN A 55 -5.475 0.398 7.552 1.00 0.00 C ATOM 803 C GLN A 55 -4.959 -0.926 6.984 1.00 0.00 C ATOM 804 O GLN A 55 -3.819 -1.296 7.180 1.00 0.00 O ATOM 805 CB GLN A 55 -6.485 0.153 8.674 1.00 0.00 C ATOM 806 CG GLN A 55 -5.830 -0.668 9.787 1.00 0.00 C ATOM 807 CD GLN A 55 -6.898 -1.105 10.792 1.00 0.00 C ATOM 808 OE1 GLN A 55 -8.027 -1.364 10.423 1.00 0.00 O ATOM 809 NE2 GLN A 55 -6.589 -1.199 12.057 1.00 0.00 N ATOM 0 H GLN A 55 -7.222 1.290 6.715 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.608 0.955 7.908 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.840 1.104 9.071 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.356 -0.374 8.284 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.333 -1.541 9.365 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.064 -0.076 10.288 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.642 -0.982 12.368 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.294 -1.489 12.734 1.00 0.00 H new ATOM 818 N LYS A 56 -5.794 -1.641 6.278 1.00 0.00 N ATOM 819 CA LYS A 56 -5.356 -2.938 5.695 1.00 0.00 C ATOM 820 C LYS A 56 -4.300 -2.716 4.602 1.00 0.00 C ATOM 821 O LYS A 56 -3.512 -3.595 4.315 1.00 0.00 O ATOM 822 CB LYS A 56 -6.625 -3.555 5.106 1.00 0.00 C ATOM 823 CG LYS A 56 -7.606 -3.871 6.238 1.00 0.00 C ATOM 824 CD LYS A 56 -8.801 -4.649 5.682 1.00 0.00 C ATOM 825 CE LYS A 56 -9.333 -5.605 6.754 1.00 0.00 C ATOM 826 NZ LYS A 56 -9.779 -4.721 7.867 1.00 0.00 N ATOM 0 H LYS A 56 -6.760 -1.381 6.081 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.894 -3.586 6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.082 -2.867 4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.380 -4.464 4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.108 -4.455 7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.947 -2.947 6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.586 -3.959 5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.503 -5.209 4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.158 -6.207 6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.559 -6.298 7.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.485 -5.220 8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.962 -4.469 8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.202 -3.856 7.475 1.00 0.00 H new ATOM 840 N LEU A 57 -4.252 -1.552 3.998 1.00 0.00 N ATOM 841 CA LEU A 57 -3.215 -1.324 2.950 1.00 0.00 C ATOM 842 C LEU A 57 -1.850 -1.224 3.632 1.00 0.00 C ATOM 843 O LEU A 57 -0.911 -1.918 3.287 1.00 0.00 O ATOM 844 CB LEU A 57 -3.583 0.001 2.276 1.00 0.00 C ATOM 845 CG LEU A 57 -5.043 -0.026 1.810 1.00 0.00 C ATOM 846 CD1 LEU A 57 -5.441 1.370 1.335 1.00 0.00 C ATOM 847 CD2 LEU A 57 -5.211 -1.019 0.653 1.00 0.00 C ATOM 0 H LEU A 57 -4.875 -0.765 4.183 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.171 -2.129 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.432 0.825 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.926 0.179 1.425 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.678 -0.336 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.479 1.359 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.331 2.079 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.798 1.670 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.252 -1.029 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.576 -0.718 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.924 -2.017 0.985 1.00 0.00 H new ATOM 859 N THR A 58 -1.749 -0.385 4.626 1.00 0.00 N ATOM 860 CA THR A 58 -0.468 -0.254 5.367 1.00 0.00 C ATOM 861 C THR A 58 -0.185 -1.572 6.076 1.00 0.00 C ATOM 862 O THR A 58 0.934 -1.874 6.436 1.00 0.00 O ATOM 863 CB THR A 58 -0.703 0.864 6.381 1.00 0.00 C ATOM 864 OG1 THR A 58 -1.582 1.831 5.824 1.00 0.00 O ATOM 865 CG2 THR A 58 0.630 1.523 6.735 1.00 0.00 C ATOM 0 H THR A 58 -2.503 0.217 4.956 1.00 0.00 H new ATOM 0 HA THR A 58 0.381 -0.027 4.722 1.00 0.00 H new ATOM 0 HB THR A 58 -1.149 0.448 7.284 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.201 2.147 6.515 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.461 2.320 7.459 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.301 0.779 7.165 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.080 1.940 5.834 1.00 0.00 H new ATOM 873 N LYS A 59 -1.202 -2.369 6.259 1.00 0.00 N ATOM 874 CA LYS A 59 -1.008 -3.683 6.918 1.00 0.00 C ATOM 875 C LYS A 59 -0.516 -4.682 5.876 1.00 0.00 C ATOM 876 O LYS A 59 0.149 -5.648 6.190 1.00 0.00 O ATOM 877 CB LYS A 59 -2.389 -4.078 7.443 1.00 0.00 C ATOM 878 CG LYS A 59 -2.453 -3.833 8.951 1.00 0.00 C ATOM 879 CD LYS A 59 -3.889 -4.033 9.441 1.00 0.00 C ATOM 880 CE LYS A 59 -3.889 -4.985 10.638 1.00 0.00 C ATOM 881 NZ LYS A 59 -5.300 -5.009 11.113 1.00 0.00 N ATOM 0 H LYS A 59 -2.161 -2.162 5.978 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.276 -3.655 7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.161 -3.498 6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.585 -5.128 7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.782 -4.517 9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.117 -2.822 9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.325 -3.075 9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.505 -4.439 8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.553 -5.981 10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.215 -4.635 11.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.379 -5.642 11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.590 -4.049 11.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.917 -5.353 10.350 1.00 0.00 H new ATOM 895 N ALA A 60 -0.828 -4.445 4.628 1.00 0.00 N ATOM 896 CA ALA A 60 -0.362 -5.371 3.562 1.00 0.00 C ATOM 897 C ALA A 60 1.145 -5.216 3.389 1.00 0.00 C ATOM 898 O ALA A 60 1.872 -6.186 3.314 1.00 0.00 O ATOM 899 CB ALA A 60 -1.107 -4.943 2.297 1.00 0.00 C ATOM 0 H ALA A 60 -1.383 -3.653 4.305 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.558 -6.418 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.812 -5.584 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.181 -5.031 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.860 -3.908 2.062 1.00 0.00 H new ATOM 905 N THR A 61 1.631 -4.007 3.367 1.00 0.00 N ATOM 906 CA THR A 61 3.101 -3.819 3.246 1.00 0.00 C ATOM 907 C THR A 61 3.711 -4.135 4.599 1.00 0.00 C ATOM 908 O THR A 61 4.747 -4.764 4.704 1.00 0.00 O ATOM 909 CB THR A 61 3.300 -2.353 2.885 1.00 0.00 C ATOM 910 OG1 THR A 61 4.681 -2.105 2.656 1.00 0.00 O ATOM 911 CG2 THR A 61 2.800 -1.469 4.026 1.00 0.00 C ATOM 0 H THR A 61 1.081 -3.150 3.427 1.00 0.00 H new ATOM 0 HA THR A 61 3.566 -4.459 2.496 1.00 0.00 H new ATOM 0 HB THR A 61 2.736 -2.123 1.981 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.859 -1.145 2.739 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.944 -0.421 3.764 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.740 -1.658 4.195 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.359 -1.696 4.934 1.00 0.00 H new ATOM 919 N ALA A 62 3.042 -3.736 5.644 1.00 0.00 N ATOM 920 CA ALA A 62 3.551 -4.051 6.996 1.00 0.00 C ATOM 921 C ALA A 62 3.593 -5.569 7.133 1.00 0.00 C ATOM 922 O ALA A 62 4.358 -6.118 7.902 1.00 0.00 O ATOM 923 CB ALA A 62 2.542 -3.438 7.967 1.00 0.00 C ATOM 0 H ALA A 62 2.170 -3.208 5.616 1.00 0.00 H new ATOM 0 HA ALA A 62 4.550 -3.661 7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.858 -3.634 8.992 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.488 -2.362 7.804 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.560 -3.881 7.799 1.00 0.00 H new ATOM 929 N ASP A 63 2.784 -6.255 6.362 1.00 0.00 N ATOM 930 CA ASP A 63 2.787 -7.739 6.417 1.00 0.00 C ATOM 931 C ASP A 63 3.831 -8.271 5.438 1.00 0.00 C ATOM 932 O ASP A 63 4.325 -9.372 5.581 1.00 0.00 O ATOM 933 CB ASP A 63 1.380 -8.169 6.001 1.00 0.00 C ATOM 934 CG ASP A 63 0.492 -8.272 7.242 1.00 0.00 C ATOM 935 OD1 ASP A 63 0.918 -8.895 8.202 1.00 0.00 O ATOM 936 OD2 ASP A 63 -0.599 -7.727 7.213 1.00 0.00 O ATOM 0 H ASP A 63 2.125 -5.846 5.700 1.00 0.00 H new ATOM 0 HA ASP A 63 3.035 -8.124 7.406 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.960 -7.448 5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.418 -9.130 5.487 1.00 0.00 H new ATOM 941 N ALA A 64 4.196 -7.484 4.457 1.00 0.00 N ATOM 942 CA ALA A 64 5.234 -7.943 3.501 1.00 0.00 C ATOM 943 C ALA A 64 6.590 -7.867 4.194 1.00 0.00 C ATOM 944 O ALA A 64 7.561 -8.458 3.766 1.00 0.00 O ATOM 945 CB ALA A 64 5.168 -6.968 2.324 1.00 0.00 C ATOM 0 H ALA A 64 3.820 -6.552 4.282 1.00 0.00 H new ATOM 0 HA ALA A 64 5.083 -8.968 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.911 -7.248 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.174 -7.003 1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.372 -5.957 2.677 1.00 0.00 H new ATOM 951 N GLY A 65 6.652 -7.134 5.274 1.00 0.00 N ATOM 952 CA GLY A 65 7.932 -7.004 6.015 1.00 0.00 C ATOM 953 C GLY A 65 8.406 -5.561 5.932 1.00 0.00 C ATOM 954 O GLY A 65 9.587 -5.281 5.986 1.00 0.00 O ATOM 0 H GLY A 65 5.867 -6.620 5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.796 -7.297 7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.682 -7.672 5.592 1.00 0.00 H new ATOM 958 N TYR A 66 7.492 -4.643 5.794 1.00 0.00 N ATOM 959 CA TYR A 66 7.885 -3.214 5.690 1.00 0.00 C ATOM 960 C TYR A 66 6.965 -2.337 6.547 1.00 0.00 C ATOM 961 O TYR A 66 5.940 -1.880 6.081 1.00 0.00 O ATOM 962 CB TYR A 66 7.724 -2.890 4.205 1.00 0.00 C ATOM 963 CG TYR A 66 8.493 -3.909 3.397 1.00 0.00 C ATOM 964 CD1 TYR A 66 9.828 -4.171 3.716 1.00 0.00 C ATOM 965 CD2 TYR A 66 7.878 -4.592 2.337 1.00 0.00 C ATOM 966 CE1 TYR A 66 10.553 -5.115 2.980 1.00 0.00 C ATOM 967 CE2 TYR A 66 8.604 -5.535 1.603 1.00 0.00 C ATOM 968 CZ TYR A 66 9.941 -5.798 1.924 1.00 0.00 C ATOM 969 OH TYR A 66 10.655 -6.729 1.199 1.00 0.00 O ATOM 0 H TYR A 66 6.489 -4.822 5.749 1.00 0.00 H new ATOM 0 HA TYR A 66 8.898 -3.028 6.048 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.670 -2.906 3.928 1.00 0.00 H new ATOM 0 HB3 TYR A 66 8.093 -1.886 3.996 1.00 0.00 H new ATOM 0 HD1 TYR A 66 10.301 -3.644 4.532 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.847 -4.390 2.089 1.00 0.00 H new ATOM 0 HE1 TYR A 66 11.585 -5.316 3.227 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.132 -6.062 0.787 1.00 0.00 H new ATOM 0 HH TYR A 66 10.081 -7.111 0.503 1.00 0.00 H new ATOM 979 N PRO A 67 7.363 -2.124 7.778 1.00 0.00 N ATOM 980 CA PRO A 67 6.565 -1.288 8.703 1.00 0.00 C ATOM 981 C PRO A 67 6.332 0.094 8.092 1.00 0.00 C ATOM 982 O PRO A 67 7.141 0.991 8.225 1.00 0.00 O ATOM 983 CB PRO A 67 7.462 -1.205 9.942 1.00 0.00 C ATOM 984 CG PRO A 67 8.704 -2.089 9.712 1.00 0.00 C ATOM 985 CD PRO A 67 8.622 -2.700 8.307 1.00 0.00 C ATOM 0 HA PRO A 67 5.575 -1.688 8.923 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.761 -0.173 10.124 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.918 -1.539 10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 67 9.613 -1.496 9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.751 -2.877 10.464 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.482 -2.427 7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.587 -3.789 8.340 1.00 0.00 H new ATOM 993 N SER A 68 5.234 0.266 7.411 1.00 0.00 N ATOM 994 CA SER A 68 4.950 1.583 6.774 1.00 0.00 C ATOM 995 C SER A 68 3.814 2.305 7.496 1.00 0.00 C ATOM 996 O SER A 68 3.450 1.971 8.606 1.00 0.00 O ATOM 997 CB SER A 68 4.535 1.242 5.347 1.00 0.00 C ATOM 998 OG SER A 68 3.153 0.909 5.329 1.00 0.00 O ATOM 0 H SER A 68 4.520 -0.448 7.268 1.00 0.00 H new ATOM 0 HA SER A 68 5.814 2.247 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.726 2.089 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.127 0.407 4.973 1.00 0.00 H new ATOM 0 HG SER A 68 2.718 1.359 4.575 1.00 0.00 H new ATOM 1004 N SER A 69 3.254 3.296 6.862 1.00 0.00 N ATOM 1005 CA SER A 69 2.141 4.058 7.481 1.00 0.00 C ATOM 1006 C SER A 69 1.227 4.582 6.379 1.00 0.00 C ATOM 1007 O SER A 69 1.353 4.207 5.232 1.00 0.00 O ATOM 1008 CB SER A 69 2.810 5.213 8.223 1.00 0.00 C ATOM 1009 OG SER A 69 1.957 5.652 9.272 1.00 0.00 O ATOM 0 H SER A 69 3.525 3.612 5.931 1.00 0.00 H new ATOM 0 HA SER A 69 1.534 3.453 8.155 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.770 4.893 8.629 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.012 6.034 7.535 1.00 0.00 H new ATOM 0 HG SER A 69 2.383 6.392 9.752 1.00 0.00 H new ATOM 1015 N VAL A 70 0.297 5.424 6.708 1.00 0.00 N ATOM 1016 CA VAL A 70 -0.620 5.931 5.664 1.00 0.00 C ATOM 1017 C VAL A 70 -0.910 7.415 5.850 1.00 0.00 C ATOM 1018 O VAL A 70 -0.736 7.964 6.919 1.00 0.00 O ATOM 1019 CB VAL A 70 -1.869 5.103 5.882 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -2.591 5.589 7.142 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -2.801 5.237 4.678 1.00 0.00 C ATOM 0 H VAL A 70 0.133 5.781 7.649 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.211 5.843 4.658 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.587 4.057 6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.490 4.993 7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.931 5.484 8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.867 6.637 7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.697 4.638 4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.082 6.282 4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.290 4.886 3.781 1.00 0.00 H new ATOM 1031 N LYS A 71 -1.358 8.069 4.815 1.00 0.00 N ATOM 1032 CA LYS A 71 -1.662 9.525 4.956 1.00 0.00 C ATOM 1033 C LYS A 71 -2.355 10.074 3.708 1.00 0.00 C ATOM 1034 O LYS A 71 -1.973 11.103 3.191 1.00 0.00 O ATOM 1035 CB LYS A 71 -0.303 10.196 5.152 1.00 0.00 C ATOM 1036 CG LYS A 71 0.604 9.872 3.963 1.00 0.00 C ATOM 1037 CD LYS A 71 2.002 9.518 4.470 1.00 0.00 C ATOM 1038 CE LYS A 71 2.541 10.665 5.329 1.00 0.00 C ATOM 1039 NZ LYS A 71 3.141 11.624 4.360 1.00 0.00 N ATOM 0 H LYS A 71 -1.525 7.669 3.892 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.342 9.713 5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.428 11.275 5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.156 9.849 6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.191 9.040 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.656 10.726 3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.966 8.598 5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.670 9.335 3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.744 11.134 5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.284 10.308 6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.532 12.439 4.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.901 11.152 3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.409 11.952 3.698 1.00 0.00 H new ATOM 1053 N GLN A 72 -3.377 9.394 3.249 1.00 0.00 N ATOM 1054 CA GLN A 72 -4.148 9.840 2.038 1.00 0.00 C ATOM 1055 C GLN A 72 -3.363 10.856 1.201 1.00 0.00 C ATOM 1056 O GLN A 72 -3.370 12.022 1.562 1.00 0.00 O ATOM 1057 CB GLN A 72 -5.418 10.483 2.595 1.00 0.00 C ATOM 1058 CG GLN A 72 -6.467 10.571 1.485 1.00 0.00 C ATOM 1059 CD GLN A 72 -7.632 11.446 1.948 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -7.521 12.161 2.924 1.00 0.00 O ATOM 1061 NE2 GLN A 72 -8.754 11.418 1.283 1.00 0.00 N ATOM 1062 OXT GLN A 72 -2.773 10.453 0.214 1.00 0.00 O ATOM 0 H GLN A 72 -3.719 8.530 3.669 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.355 9.001 1.373 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.802 9.895 3.429 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.197 11.478 2.982 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.022 10.989 0.582 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.827 9.574 1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.846 10.817 0.464 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.539 11.997 1.582 1.00 0.00 H new TER 1071 GLN A 72 HETATM 1072 HG HG A 73 15.245 -3.193 -1.031 1.00 0.00 HG