USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=19 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 67:sc= 0.134 USER MOD Set 1.2: A 66 TYR OH : rot 130:sc= 0 USER MOD Set 2.1: A 4 THR OG1 : rot 3:sc= 0.639 USER MOD Set 2.2: A 46 THR OG1 : rot -69:sc= -1.78! USER MOD Set 3.1: A 12 MET CE :methyl -164:sc= -0.203 (180deg=-0.82) USER MOD Set 3.2: A 14 CYS SG : rot 180:sc= -1.55! USER MOD Set 3.3: A 17 CYS SG : rot 117:sc= -1.92! USER MOD Set 4.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -3.66! C(o=-3.7!,f=-11!) USER MOD Single : A 6 THR OG1 : rot -80:sc= -1.5! USER MOD Single : A 13 THR OG1 : rot 112:sc= 0.453 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -1.47! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 68:sc= 0.155 USER MOD Single : A 55 GLN : amide:sc= -0.0829 K(o=-0.083,f=-2.3!) USER MOD Single : A 56 LYS NZ :NH3+ 141:sc= 0.488 (180deg=0.000112) USER MOD Single : A 58 THR OG1 : rot 121:sc= -1.95! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -82:sc= -2.85! USER MOD Single : A 68 SER OG : rot 160:sc= -0.642! 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= -2.81! C(o=-2.8!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.088 1.490 0.215 1.00 0.00 N ATOM 2 CA ALA A 1 17.027 0.520 -0.185 1.00 0.00 C ATOM 3 C ALA A 1 15.968 0.413 0.913 1.00 0.00 C ATOM 4 O ALA A 1 15.668 -0.658 1.391 1.00 0.00 O ATOM 5 CB ALA A 1 17.754 -0.811 -0.355 1.00 0.00 C ATOM 0 H1 ALA A 1 18.802 1.554 -0.539 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.662 2.426 0.369 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.541 1.167 1.094 1.00 0.00 H new ATOM 0 HA ALA A 1 16.512 0.824 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 1 17.040 -1.580 -0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.519 -0.712 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 1 18.222 -1.093 0.588 1.00 0.00 H new ATOM 13 N THR A 2 15.401 1.519 1.303 1.00 0.00 N ATOM 14 CA THR A 2 14.367 1.527 2.353 1.00 0.00 C ATOM 15 C THR A 2 13.500 2.761 2.138 1.00 0.00 C ATOM 16 O THR A 2 13.805 3.836 2.615 1.00 0.00 O ATOM 17 CB THR A 2 15.130 1.646 3.659 1.00 0.00 C ATOM 18 OG1 THR A 2 16.470 2.044 3.397 1.00 0.00 O ATOM 19 CG2 THR A 2 15.122 0.303 4.381 1.00 0.00 C ATOM 0 H THR A 2 15.623 2.439 0.922 1.00 0.00 H new ATOM 0 HA THR A 2 13.730 0.642 2.346 1.00 0.00 H new ATOM 0 HB THR A 2 14.651 2.395 4.289 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.959 2.122 4.242 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.671 0.391 5.319 1.00 0.00 H new ATOM 0 HG22 THR A 2 14.094 0.008 4.589 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.596 -0.451 3.752 1.00 0.00 H new ATOM 27 N GLN A 3 12.452 2.631 1.390 1.00 0.00 N ATOM 28 CA GLN A 3 11.600 3.822 1.108 1.00 0.00 C ATOM 29 C GLN A 3 10.211 3.680 1.726 1.00 0.00 C ATOM 30 O GLN A 3 9.709 2.593 1.930 1.00 0.00 O ATOM 31 CB GLN A 3 11.492 3.893 -0.419 1.00 0.00 C ATOM 32 CG GLN A 3 12.829 3.507 -1.062 1.00 0.00 C ATOM 33 CD GLN A 3 13.903 4.520 -0.664 1.00 0.00 C ATOM 34 OE1 GLN A 3 14.477 4.427 0.403 1.00 0.00 O ATOM 35 NE2 GLN A 3 14.203 5.489 -1.484 1.00 0.00 N ATOM 0 H GLN A 3 12.143 1.759 0.960 1.00 0.00 H new ATOM 0 HA GLN A 3 12.036 4.724 1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.706 3.223 -0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.210 4.901 -0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.122 2.507 -0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.727 3.478 -2.147 1.00 0.00 H new ATOM 0 HE21 GLN A 3 13.721 5.567 -2.380 1.00 0.00 H new ATOM 0 HE22 GLN A 3 14.920 6.169 -1.230 1.00 0.00 H new ATOM 44 N THR A 4 9.587 4.788 2.009 1.00 0.00 N ATOM 45 CA THR A 4 8.222 4.763 2.600 1.00 0.00 C ATOM 46 C THR A 4 7.328 5.728 1.820 1.00 0.00 C ATOM 47 O THR A 4 7.685 6.867 1.594 1.00 0.00 O ATOM 48 CB THR A 4 8.410 5.244 4.039 1.00 0.00 C ATOM 49 OG1 THR A 4 9.206 4.306 4.748 1.00 0.00 O ATOM 50 CG2 THR A 4 7.048 5.383 4.721 1.00 0.00 C ATOM 0 H THR A 4 9.970 5.721 1.854 1.00 0.00 H new ATOM 0 HA THR A 4 7.756 3.778 2.565 1.00 0.00 H new ATOM 0 HB THR A 4 8.907 6.214 4.035 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.487 3.590 4.140 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.188 5.726 5.746 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.440 6.106 4.176 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.544 4.417 4.727 1.00 0.00 H new ATOM 58 N VAL A 5 6.180 5.289 1.393 1.00 0.00 N ATOM 59 CA VAL A 5 5.290 6.196 0.617 1.00 0.00 C ATOM 60 C VAL A 5 3.863 6.103 1.134 1.00 0.00 C ATOM 61 O VAL A 5 3.529 5.245 1.918 1.00 0.00 O ATOM 62 CB VAL A 5 5.367 5.681 -0.820 1.00 0.00 C ATOM 63 CG1 VAL A 5 6.786 5.877 -1.357 1.00 0.00 C ATOM 64 CG2 VAL A 5 5.016 4.193 -0.846 1.00 0.00 C ATOM 0 H VAL A 5 5.820 4.347 1.546 1.00 0.00 H new ATOM 0 HA VAL A 5 5.591 7.240 0.699 1.00 0.00 H new ATOM 0 HB VAL A 5 4.663 6.233 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.841 5.510 -2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.039 6.937 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.490 5.324 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.070 3.824 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.721 3.642 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.006 4.051 -0.462 1.00 0.00 H new ATOM 74 N THR A 6 3.017 6.967 0.677 1.00 0.00 N ATOM 75 CA THR A 6 1.609 6.927 1.104 1.00 0.00 C ATOM 76 C THR A 6 0.817 6.382 -0.068 1.00 0.00 C ATOM 77 O THR A 6 1.283 6.392 -1.187 1.00 0.00 O ATOM 78 CB THR A 6 1.246 8.381 1.390 1.00 0.00 C ATOM 79 OG1 THR A 6 2.026 9.233 0.561 1.00 0.00 O ATOM 80 CG2 THR A 6 1.524 8.695 2.859 1.00 0.00 C ATOM 0 H THR A 6 3.247 7.709 0.016 1.00 0.00 H new ATOM 0 HA THR A 6 1.413 6.307 1.979 1.00 0.00 H new ATOM 0 HB THR A 6 0.188 8.543 1.181 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.918 9.342 0.952 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.265 9.734 3.064 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.924 8.040 3.491 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.581 8.536 3.071 1.00 0.00 H new ATOM 88 N LEU A 7 -0.346 5.872 0.158 1.00 0.00 N ATOM 89 CA LEU A 7 -1.092 5.298 -0.986 1.00 0.00 C ATOM 90 C LEU A 7 -2.562 5.709 -0.953 1.00 0.00 C ATOM 91 O LEU A 7 -3.124 5.999 0.083 1.00 0.00 O ATOM 92 CB LEU A 7 -0.934 3.780 -0.820 1.00 0.00 C ATOM 93 CG LEU A 7 -0.196 3.205 -2.031 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.135 3.924 -2.219 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.085 1.712 -1.821 1.00 0.00 C ATOM 0 H LEU A 7 -0.810 5.825 1.065 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.713 5.651 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.382 3.559 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.913 3.311 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.824 3.343 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.654 3.509 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.955 4.987 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.749 3.791 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.610 1.315 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.702 1.579 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.857 1.179 -1.692 1.00 0.00 H new ATOM 107 N ALA A 8 -3.180 5.730 -2.096 1.00 0.00 N ATOM 108 CA ALA A 8 -4.620 6.110 -2.173 1.00 0.00 C ATOM 109 C ALA A 8 -5.375 5.057 -2.986 1.00 0.00 C ATOM 110 O ALA A 8 -5.204 4.946 -4.180 1.00 0.00 O ATOM 111 CB ALA A 8 -4.638 7.462 -2.885 1.00 0.00 C ATOM 0 H ALA A 8 -2.748 5.499 -2.991 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.096 6.170 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.667 7.809 -2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.063 8.185 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.197 7.357 -3.876 1.00 0.00 H new ATOM 117 N VAL A 9 -6.191 4.267 -2.346 1.00 0.00 N ATOM 118 CA VAL A 9 -6.929 3.205 -3.091 1.00 0.00 C ATOM 119 C VAL A 9 -8.440 3.487 -3.110 1.00 0.00 C ATOM 120 O VAL A 9 -9.178 2.952 -2.305 1.00 0.00 O ATOM 121 CB VAL A 9 -6.622 1.919 -2.321 1.00 0.00 C ATOM 122 CG1 VAL A 9 -7.245 1.989 -0.925 1.00 0.00 C ATOM 123 CG2 VAL A 9 -7.197 0.722 -3.075 1.00 0.00 C ATOM 0 H VAL A 9 -6.379 4.309 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.625 3.147 -4.136 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.542 1.807 -2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.023 1.071 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.831 2.840 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.325 2.106 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.978 -0.194 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.277 0.837 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.748 0.667 -4.067 1.00 0.00 H new ATOM 133 N PRO A 10 -8.856 4.316 -4.038 1.00 0.00 N ATOM 134 CA PRO A 10 -10.291 4.664 -4.169 1.00 0.00 C ATOM 135 C PRO A 10 -11.090 3.471 -4.704 1.00 0.00 C ATOM 136 O PRO A 10 -12.303 3.509 -4.774 1.00 0.00 O ATOM 137 CB PRO A 10 -10.264 5.803 -5.191 1.00 0.00 C ATOM 138 CG PRO A 10 -8.844 5.899 -5.779 1.00 0.00 C ATOM 139 CD PRO A 10 -7.923 4.955 -4.994 1.00 0.00 C ATOM 0 HA PRO A 10 -10.763 4.938 -3.225 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.990 5.619 -5.983 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.542 6.744 -4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.853 5.627 -6.835 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.477 6.924 -5.716 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.444 4.223 -5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.127 5.497 -4.483 1.00 0.00 H new ATOM 147 N GLY A 11 -10.424 2.413 -5.084 1.00 0.00 N ATOM 148 CA GLY A 11 -11.156 1.229 -5.612 1.00 0.00 C ATOM 149 C GLY A 11 -12.331 0.918 -4.690 1.00 0.00 C ATOM 150 O GLY A 11 -13.412 0.583 -5.133 1.00 0.00 O ATOM 0 H GLY A 11 -9.409 2.319 -5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.513 1.427 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.488 0.370 -5.673 1.00 0.00 H new ATOM 154 N MET A 12 -12.125 1.032 -3.407 1.00 0.00 N ATOM 155 CA MET A 12 -13.225 0.747 -2.443 1.00 0.00 C ATOM 156 C MET A 12 -12.963 1.477 -1.122 1.00 0.00 C ATOM 157 O MET A 12 -11.876 1.431 -0.581 1.00 0.00 O ATOM 158 CB MET A 12 -13.186 -0.767 -2.231 1.00 0.00 C ATOM 159 CG MET A 12 -13.721 -1.487 -3.473 1.00 0.00 C ATOM 160 SD MET A 12 -15.391 -0.897 -3.851 1.00 0.00 S ATOM 161 CE MET A 12 -16.222 -1.626 -2.418 1.00 0.00 C ATOM 0 H MET A 12 -11.240 1.311 -2.984 1.00 0.00 H new ATOM 0 HA MET A 12 -14.195 1.081 -2.810 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.164 -1.087 -2.028 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.784 -1.035 -1.360 1.00 0.00 H new ATOM 0 HG2 MET A 12 -13.061 -1.307 -4.322 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.735 -2.564 -3.303 1.00 0.00 H new ATOM 0 HE1 MET A 12 -17.299 -1.633 -2.587 1.00 0.00 H new ATOM 0 HE2 MET A 12 -15.870 -2.648 -2.274 1.00 0.00 H new ATOM 0 HE3 MET A 12 -15.998 -1.037 -1.529 1.00 0.00 H new ATOM 171 N THR A 13 -13.951 2.152 -0.604 1.00 0.00 N ATOM 172 CA THR A 13 -13.765 2.892 0.680 1.00 0.00 C ATOM 173 C THR A 13 -14.940 2.621 1.622 1.00 0.00 C ATOM 174 O THR A 13 -15.955 3.286 1.560 1.00 0.00 O ATOM 175 CB THR A 13 -13.728 4.380 0.294 1.00 0.00 C ATOM 176 OG1 THR A 13 -14.200 5.156 1.385 1.00 0.00 O ATOM 177 CG2 THR A 13 -14.621 4.638 -0.925 1.00 0.00 C ATOM 0 H THR A 13 -14.882 2.225 -1.014 1.00 0.00 H new ATOM 0 HA THR A 13 -12.857 2.583 1.198 1.00 0.00 H new ATOM 0 HB THR A 13 -12.702 4.656 0.049 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.460 5.678 1.759 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.584 5.696 -1.186 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.267 4.044 -1.768 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.648 4.358 -0.690 1.00 0.00 H new ATOM 185 N CYS A 14 -14.823 1.653 2.500 1.00 0.00 N ATOM 186 CA CYS A 14 -15.963 1.376 3.433 1.00 0.00 C ATOM 187 C CYS A 14 -15.439 0.831 4.762 1.00 0.00 C ATOM 188 O CYS A 14 -15.478 1.495 5.777 1.00 0.00 O ATOM 189 CB CYS A 14 -16.863 0.318 2.761 1.00 0.00 C ATOM 190 SG CYS A 14 -16.665 0.310 0.957 1.00 0.00 S ATOM 0 H CYS A 14 -14.005 1.053 2.611 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.519 2.292 3.635 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -16.622 -0.668 3.157 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.905 0.516 3.011 1.00 0.00 H new ATOM 0 HG CYS A 14 -17.440 -0.596 0.439 1.00 0.00 H new ATOM 195 N ALA A 15 -14.961 -0.382 4.761 1.00 0.00 N ATOM 196 CA ALA A 15 -14.442 -0.987 6.019 1.00 0.00 C ATOM 197 C ALA A 15 -13.948 -2.406 5.736 1.00 0.00 C ATOM 198 O ALA A 15 -14.302 -3.347 6.418 1.00 0.00 O ATOM 199 CB ALA A 15 -15.639 -1.013 6.969 1.00 0.00 C ATOM 0 H ALA A 15 -14.907 -0.983 3.939 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.606 -0.430 6.441 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.337 -1.447 7.922 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.998 0.004 7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.437 -1.614 6.533 1.00 0.00 H new ATOM 205 N ALA A 16 -13.138 -2.565 4.726 1.00 0.00 N ATOM 206 CA ALA A 16 -12.624 -3.919 4.386 1.00 0.00 C ATOM 207 C ALA A 16 -11.708 -3.851 3.159 1.00 0.00 C ATOM 208 O ALA A 16 -10.629 -4.404 3.157 1.00 0.00 O ATOM 209 CB ALA A 16 -13.872 -4.750 4.082 1.00 0.00 C ATOM 0 H ALA A 16 -12.810 -1.813 4.121 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.033 -4.350 5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.578 -5.767 3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.517 -4.773 4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.412 -4.303 3.247 1.00 0.00 H new ATOM 215 N CYS A 17 -12.125 -3.178 2.116 1.00 0.00 N ATOM 216 CA CYS A 17 -11.262 -3.090 0.895 1.00 0.00 C ATOM 217 C CYS A 17 -10.040 -2.192 1.149 1.00 0.00 C ATOM 218 O CYS A 17 -8.930 -2.609 0.887 1.00 0.00 O ATOM 219 CB CYS A 17 -12.134 -2.522 -0.234 1.00 0.00 C ATOM 220 SG CYS A 17 -13.812 -3.198 -0.147 1.00 0.00 S ATOM 0 H CYS A 17 -13.018 -2.689 2.055 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.878 -4.074 0.626 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -12.170 -1.435 -0.161 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -11.689 -2.762 -1.200 1.00 0.00 H new ATOM 0 HG CYS A 17 -14.657 -2.235 0.076 1.00 0.00 H new ATOM 225 N PRO A 18 -10.248 -0.994 1.664 1.00 0.00 N ATOM 226 CA PRO A 18 -9.095 -0.110 1.941 1.00 0.00 C ATOM 227 C PRO A 18 -8.157 -0.846 2.893 1.00 0.00 C ATOM 228 O PRO A 18 -6.955 -0.857 2.726 1.00 0.00 O ATOM 229 CB PRO A 18 -9.744 1.101 2.612 1.00 0.00 C ATOM 230 CG PRO A 18 -11.254 0.833 2.748 1.00 0.00 C ATOM 231 CD PRO A 18 -11.593 -0.466 2.001 1.00 0.00 C ATOM 0 HA PRO A 18 -8.508 0.177 1.069 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.300 1.274 3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.571 2.000 2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.529 0.747 3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.824 1.666 2.336 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.158 -1.159 2.625 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.192 -0.279 1.110 1.00 0.00 H new ATOM 239 N ILE A 19 -8.722 -1.481 3.881 1.00 0.00 N ATOM 240 CA ILE A 19 -7.896 -2.261 4.849 1.00 0.00 C ATOM 241 C ILE A 19 -7.186 -3.418 4.117 1.00 0.00 C ATOM 242 O ILE A 19 -6.108 -3.859 4.501 1.00 0.00 O ATOM 243 CB ILE A 19 -8.909 -2.797 5.860 1.00 0.00 C ATOM 244 CG1 ILE A 19 -9.621 -1.622 6.533 1.00 0.00 C ATOM 245 CG2 ILE A 19 -8.192 -3.633 6.919 1.00 0.00 C ATOM 246 CD1 ILE A 19 -10.768 -2.146 7.398 1.00 0.00 C ATOM 0 H ILE A 19 -9.726 -1.494 4.062 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.117 -1.665 5.325 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.638 -3.422 5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.917 -1.060 7.146 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.005 -0.936 5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.919 -4.012 7.637 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.685 -4.470 6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.460 -3.014 7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.275 -1.308 7.877 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.477 -2.689 6.773 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.371 -2.815 8.162 1.00 0.00 H new ATOM 258 N THR A 20 -7.769 -3.904 3.049 1.00 0.00 N ATOM 259 CA THR A 20 -7.115 -5.003 2.290 1.00 0.00 C ATOM 260 C THR A 20 -5.842 -4.453 1.676 1.00 0.00 C ATOM 261 O THR A 20 -4.902 -5.170 1.395 1.00 0.00 O ATOM 262 CB THR A 20 -8.105 -5.407 1.196 1.00 0.00 C ATOM 263 OG1 THR A 20 -9.357 -5.725 1.783 1.00 0.00 O ATOM 264 CG2 THR A 20 -7.563 -6.630 0.458 1.00 0.00 C ATOM 0 H THR A 20 -8.664 -3.587 2.675 1.00 0.00 H new ATOM 0 HA THR A 20 -6.862 -5.860 2.914 1.00 0.00 H new ATOM 0 HB THR A 20 -8.235 -4.582 0.495 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.756 -4.914 2.163 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.264 -6.924 -0.323 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.600 -6.387 0.009 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.438 -7.453 1.161 1.00 0.00 H new ATOM 272 N VAL A 21 -5.803 -3.165 1.492 1.00 0.00 N ATOM 273 CA VAL A 21 -4.594 -2.535 0.930 1.00 0.00 C ATOM 274 C VAL A 21 -3.493 -2.643 1.971 1.00 0.00 C ATOM 275 O VAL A 21 -2.326 -2.735 1.655 1.00 0.00 O ATOM 276 CB VAL A 21 -4.975 -1.077 0.681 1.00 0.00 C ATOM 277 CG1 VAL A 21 -3.840 -0.371 -0.060 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.247 -1.023 -0.167 1.00 0.00 C ATOM 0 H VAL A 21 -6.565 -2.523 1.710 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.243 -3.000 0.009 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.150 -0.579 1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.113 0.669 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.932 -0.411 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.664 -0.868 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.521 0.017 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.070 -1.521 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.057 -1.526 0.360 1.00 0.00 H new ATOM 288 N LYS A 22 -3.873 -2.675 3.222 1.00 0.00 N ATOM 289 CA LYS A 22 -2.867 -2.822 4.294 1.00 0.00 C ATOM 290 C LYS A 22 -2.224 -4.175 4.116 1.00 0.00 C ATOM 291 O LYS A 22 -1.020 -4.326 4.159 1.00 0.00 O ATOM 292 CB LYS A 22 -3.644 -2.787 5.608 1.00 0.00 C ATOM 293 CG LYS A 22 -2.671 -2.551 6.769 1.00 0.00 C ATOM 294 CD LYS A 22 -3.411 -2.706 8.098 1.00 0.00 C ATOM 295 CE LYS A 22 -2.409 -3.009 9.213 1.00 0.00 C ATOM 296 NZ LYS A 22 -3.000 -2.394 10.434 1.00 0.00 N ATOM 0 H LYS A 22 -4.840 -2.605 3.539 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.102 -2.046 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.392 -1.995 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.179 -3.726 5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.846 -3.261 6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.238 -1.553 6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.961 -1.793 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.144 -3.510 8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.270 -4.083 9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.430 -2.585 8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.370 -2.559 11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.114 -1.371 10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.928 -2.822 10.624 1.00 0.00 H new ATOM 310 N LYS A 23 -3.036 -5.166 3.895 1.00 0.00 N ATOM 311 CA LYS A 23 -2.479 -6.521 3.691 1.00 0.00 C ATOM 312 C LYS A 23 -1.746 -6.571 2.354 1.00 0.00 C ATOM 313 O LYS A 23 -0.898 -7.409 2.121 1.00 0.00 O ATOM 314 CB LYS A 23 -3.683 -7.464 3.699 1.00 0.00 C ATOM 315 CG LYS A 23 -4.452 -7.314 5.017 1.00 0.00 C ATOM 316 CD LYS A 23 -3.467 -7.185 6.184 1.00 0.00 C ATOM 317 CE LYS A 23 -4.161 -7.591 7.486 1.00 0.00 C ATOM 318 NZ LYS A 23 -3.561 -6.717 8.532 1.00 0.00 N ATOM 0 H LYS A 23 -4.052 -5.095 3.848 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.761 -6.801 4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.338 -7.239 2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.350 -8.495 3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.096 -6.436 4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.100 -8.177 5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.597 -7.818 6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.106 -6.159 6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.239 -7.445 7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.995 -8.645 7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.987 -6.937 9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.535 -6.883 8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.741 -5.720 8.296 1.00 0.00 H new ATOM 332 N ALA A 24 -2.068 -5.664 1.480 1.00 0.00 N ATOM 333 CA ALA A 24 -1.407 -5.626 0.153 1.00 0.00 C ATOM 334 C ALA A 24 0.030 -5.118 0.292 1.00 0.00 C ATOM 335 O ALA A 24 0.940 -5.618 -0.340 1.00 0.00 O ATOM 336 CB ALA A 24 -2.241 -4.650 -0.678 1.00 0.00 C ATOM 0 H ALA A 24 -2.770 -4.939 1.631 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.353 -6.612 -0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.815 -4.567 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.265 -5.016 -0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.238 -3.671 -0.200 1.00 0.00 H new ATOM 342 N LEU A 25 0.246 -4.131 1.121 1.00 0.00 N ATOM 343 CA LEU A 25 1.628 -3.602 1.298 1.00 0.00 C ATOM 344 C LEU A 25 2.418 -4.544 2.199 1.00 0.00 C ATOM 345 O LEU A 25 3.604 -4.736 2.032 1.00 0.00 O ATOM 346 CB LEU A 25 1.477 -2.241 1.981 1.00 0.00 C ATOM 347 CG LEU A 25 0.325 -1.453 1.364 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.617 -1.020 2.483 1.00 0.00 C ATOM 349 CD2 LEU A 25 0.875 -0.213 0.654 1.00 0.00 C ATOM 0 H LEU A 25 -0.472 -3.671 1.680 1.00 0.00 H new ATOM 0 HA LEU A 25 2.154 -3.515 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.298 -2.381 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.404 -1.675 1.885 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.207 -2.072 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.448 -0.455 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.001 -1.901 2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.076 -0.394 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.052 0.349 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.400 0.416 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.566 -0.520 -0.131 1.00 0.00 H new ATOM 361 N SER A 26 1.762 -5.138 3.153 1.00 0.00 N ATOM 362 CA SER A 26 2.465 -6.074 4.064 1.00 0.00 C ATOM 363 C SER A 26 2.808 -7.344 3.297 1.00 0.00 C ATOM 364 O SER A 26 3.700 -8.084 3.660 1.00 0.00 O ATOM 365 CB SER A 26 1.469 -6.367 5.186 1.00 0.00 C ATOM 366 OG SER A 26 2.107 -7.147 6.189 1.00 0.00 O ATOM 0 H SER A 26 0.767 -5.014 3.340 1.00 0.00 H new ATOM 0 HA SER A 26 3.395 -5.666 4.461 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.101 -5.434 5.614 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.604 -6.900 4.790 1.00 0.00 H new ATOM 0 HG SER A 26 1.471 -7.335 6.911 1.00 0.00 H new ATOM 372 N LYS A 27 2.104 -7.598 2.227 1.00 0.00 N ATOM 373 CA LYS A 27 2.392 -8.817 1.430 1.00 0.00 C ATOM 374 C LYS A 27 3.009 -8.437 0.084 1.00 0.00 C ATOM 375 O LYS A 27 3.331 -9.286 -0.723 1.00 0.00 O ATOM 376 CB LYS A 27 1.041 -9.501 1.223 1.00 0.00 C ATOM 377 CG LYS A 27 0.681 -10.309 2.468 1.00 0.00 C ATOM 378 CD LYS A 27 0.733 -9.398 3.694 1.00 0.00 C ATOM 379 CE LYS A 27 -0.245 -9.913 4.753 1.00 0.00 C ATOM 380 NZ LYS A 27 0.543 -10.876 5.570 1.00 0.00 N ATOM 0 H LYS A 27 1.345 -7.015 1.874 1.00 0.00 H new ATOM 0 HA LYS A 27 3.102 -9.472 1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.271 -8.755 1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.083 -10.155 0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.315 -10.738 2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.375 -11.141 2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.745 -9.373 4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.477 -8.377 3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.629 -9.097 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.106 -10.398 4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.061 -11.272 6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.890 -11.645 4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.352 -10.385 6.002 1.00 0.00 H new ATOM 394 N VAL A 28 3.177 -7.168 -0.167 1.00 0.00 N ATOM 395 CA VAL A 28 3.773 -6.747 -1.465 1.00 0.00 C ATOM 396 C VAL A 28 5.049 -7.548 -1.737 1.00 0.00 C ATOM 397 O VAL A 28 5.248 -8.042 -2.827 1.00 0.00 O ATOM 398 CB VAL A 28 4.088 -5.259 -1.302 1.00 0.00 C ATOM 399 CG1 VAL A 28 5.116 -5.070 -0.189 1.00 0.00 C ATOM 400 CG2 VAL A 28 4.656 -4.711 -2.614 1.00 0.00 C ATOM 0 H VAL A 28 2.929 -6.408 0.467 1.00 0.00 H new ATOM 0 HA VAL A 28 3.102 -6.922 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 28 3.174 -4.723 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.338 -4.009 -0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.715 -5.459 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.030 -5.607 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.881 -3.651 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.569 -5.250 -2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.923 -4.842 -3.410 1.00 0.00 H new ATOM 410 N GLU A 29 5.901 -7.694 -0.745 1.00 0.00 N ATOM 411 CA GLU A 29 7.165 -8.476 -0.920 1.00 0.00 C ATOM 412 C GLU A 29 8.189 -8.130 0.169 1.00 0.00 C ATOM 413 O GLU A 29 8.324 -8.830 1.153 1.00 0.00 O ATOM 414 CB GLU A 29 7.723 -8.087 -2.286 1.00 0.00 C ATOM 415 CG GLU A 29 7.606 -9.290 -3.214 1.00 0.00 C ATOM 416 CD GLU A 29 8.284 -8.981 -4.550 1.00 0.00 C ATOM 417 OE1 GLU A 29 7.897 -8.008 -5.176 1.00 0.00 O ATOM 418 OE2 GLU A 29 9.178 -9.722 -4.925 1.00 0.00 O ATOM 0 H GLU A 29 5.770 -7.299 0.186 1.00 0.00 H new ATOM 0 HA GLU A 29 6.964 -9.545 -0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.172 -7.239 -2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.764 -7.777 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.070 -10.163 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.556 -9.535 -3.376 1.00 0.00 H new ATOM 425 N GLY A 30 8.933 -7.072 -0.018 1.00 0.00 N ATOM 426 CA GLY A 30 9.973 -6.700 0.985 1.00 0.00 C ATOM 427 C GLY A 30 9.426 -5.685 1.988 1.00 0.00 C ATOM 428 O GLY A 30 10.157 -5.160 2.803 1.00 0.00 O ATOM 0 H GLY A 30 8.865 -6.449 -0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.311 -7.592 1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.842 -6.282 0.476 1.00 0.00 H new ATOM 432 N VAL A 31 8.154 -5.404 1.942 1.00 0.00 N ATOM 433 CA VAL A 31 7.577 -4.422 2.908 1.00 0.00 C ATOM 434 C VAL A 31 8.170 -4.634 4.294 1.00 0.00 C ATOM 435 O VAL A 31 8.273 -5.740 4.786 1.00 0.00 O ATOM 436 CB VAL A 31 6.079 -4.698 2.925 1.00 0.00 C ATOM 437 CG1 VAL A 31 5.836 -6.180 3.207 1.00 0.00 C ATOM 438 CG2 VAL A 31 5.423 -3.856 4.020 1.00 0.00 C ATOM 0 H VAL A 31 7.490 -5.808 1.282 1.00 0.00 H new ATOM 0 HA VAL A 31 7.795 -3.394 2.619 1.00 0.00 H new ATOM 0 HB VAL A 31 5.649 -4.439 1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.764 -6.377 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.307 -6.780 2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.264 -6.441 4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.351 -4.051 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.853 -4.117 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.597 -2.799 3.819 1.00 0.00 H new ATOM 448 N SER A 32 8.550 -3.568 4.922 1.00 0.00 N ATOM 449 CA SER A 32 9.133 -3.664 6.287 1.00 0.00 C ATOM 450 C SER A 32 8.141 -3.087 7.289 1.00 0.00 C ATOM 451 O SER A 32 8.246 -3.288 8.482 1.00 0.00 O ATOM 452 CB SER A 32 10.408 -2.823 6.237 1.00 0.00 C ATOM 453 OG SER A 32 11.380 -3.395 7.102 1.00 0.00 O ATOM 0 H SER A 32 8.483 -2.621 4.548 1.00 0.00 H new ATOM 0 HA SER A 32 9.348 -4.689 6.589 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.791 -2.782 5.217 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.194 -1.798 6.539 1.00 0.00 H new ATOM 0 HG SER A 32 12.200 -2.860 7.072 1.00 0.00 H new ATOM 459 N LYS A 33 7.170 -2.376 6.797 1.00 0.00 N ATOM 460 CA LYS A 33 6.143 -1.779 7.696 1.00 0.00 C ATOM 461 C LYS A 33 4.909 -1.418 6.864 1.00 0.00 C ATOM 462 O LYS A 33 4.985 -1.277 5.660 1.00 0.00 O ATOM 463 CB LYS A 33 6.828 -0.542 8.305 1.00 0.00 C ATOM 464 CG LYS A 33 5.858 0.645 8.379 1.00 0.00 C ATOM 465 CD LYS A 33 6.617 1.896 8.828 1.00 0.00 C ATOM 466 CE LYS A 33 5.618 2.986 9.225 1.00 0.00 C ATOM 467 NZ LYS A 33 5.539 2.910 10.709 1.00 0.00 N ATOM 0 H LYS A 33 7.041 -2.180 5.804 1.00 0.00 H new ATOM 0 HA LYS A 33 5.798 -2.449 8.484 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.194 -0.780 9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.696 -0.270 7.704 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.399 0.815 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.051 0.426 9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.265 1.658 9.671 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.259 2.253 8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.955 3.969 8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.643 2.814 8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.872 3.628 11.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.209 1.965 10.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.480 3.084 11.116 1.00 0.00 H new ATOM 481 N VAL A 34 3.770 -1.286 7.483 1.00 0.00 N ATOM 482 CA VAL A 34 2.549 -0.954 6.698 1.00 0.00 C ATOM 483 C VAL A 34 1.555 -0.149 7.536 1.00 0.00 C ATOM 484 O VAL A 34 1.615 -0.123 8.749 1.00 0.00 O ATOM 485 CB VAL A 34 1.951 -2.308 6.317 1.00 0.00 C ATOM 486 CG1 VAL A 34 1.462 -3.025 7.577 1.00 0.00 C ATOM 487 CG2 VAL A 34 0.772 -2.094 5.366 1.00 0.00 C ATOM 0 H VAL A 34 3.632 -1.392 8.488 1.00 0.00 H new ATOM 0 HA VAL A 34 2.782 -0.340 5.828 1.00 0.00 H new ATOM 0 HB VAL A 34 2.712 -2.914 5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.036 -3.990 7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.300 -3.178 8.257 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.701 -2.419 8.069 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.345 -3.059 5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.013 -1.487 5.859 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.118 -1.583 4.467 1.00 0.00 H new ATOM 497 N ASP A 35 0.633 0.498 6.883 1.00 0.00 N ATOM 498 CA ASP A 35 -0.391 1.302 7.595 1.00 0.00 C ATOM 499 C ASP A 35 -1.602 1.430 6.680 1.00 0.00 C ATOM 500 O ASP A 35 -1.472 1.384 5.473 1.00 0.00 O ATOM 501 CB ASP A 35 0.260 2.665 7.833 1.00 0.00 C ATOM 502 CG ASP A 35 -0.108 3.168 9.229 1.00 0.00 C ATOM 503 OD1 ASP A 35 -0.250 2.343 10.116 1.00 0.00 O ATOM 504 OD2 ASP A 35 -0.242 4.370 9.388 1.00 0.00 O ATOM 0 H ASP A 35 0.546 0.502 5.867 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.718 0.861 8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.343 2.585 7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.075 3.377 7.078 1.00 0.00 H new ATOM 509 N VAL A 36 -2.777 1.570 7.213 1.00 0.00 N ATOM 510 CA VAL A 36 -3.949 1.676 6.309 1.00 0.00 C ATOM 511 C VAL A 36 -5.099 2.429 6.955 1.00 0.00 C ATOM 512 O VAL A 36 -5.180 2.573 8.158 1.00 0.00 O ATOM 513 CB VAL A 36 -4.351 0.231 6.012 1.00 0.00 C ATOM 514 CG1 VAL A 36 -5.255 -0.309 7.126 1.00 0.00 C ATOM 515 CG2 VAL A 36 -5.102 0.178 4.680 1.00 0.00 C ATOM 0 H VAL A 36 -2.976 1.615 8.212 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.702 2.235 5.407 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.452 -0.383 5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.534 -1.339 6.902 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.721 -0.276 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.154 0.303 7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.390 -0.851 4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.995 0.800 4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.456 0.548 3.883 1.00 0.00 H new ATOM 525 N GLY A 37 -6.000 2.886 6.144 1.00 0.00 N ATOM 526 CA GLY A 37 -7.177 3.610 6.664 1.00 0.00 C ATOM 527 C GLY A 37 -8.398 3.132 5.894 1.00 0.00 C ATOM 528 O GLY A 37 -8.523 3.394 4.706 1.00 0.00 O ATOM 0 H GLY A 37 -5.969 2.787 5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.301 3.421 7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.047 4.686 6.544 1.00 0.00 H new ATOM 532 N PHE A 38 -9.285 2.422 6.557 1.00 0.00 N ATOM 533 CA PHE A 38 -10.511 1.919 5.881 1.00 0.00 C ATOM 534 C PHE A 38 -11.229 3.098 5.235 1.00 0.00 C ATOM 535 O PHE A 38 -10.611 4.081 4.956 1.00 0.00 O ATOM 536 CB PHE A 38 -11.356 1.293 6.994 1.00 0.00 C ATOM 537 CG PHE A 38 -11.963 2.374 7.855 1.00 0.00 C ATOM 538 CD1 PHE A 38 -11.191 3.001 8.840 1.00 0.00 C ATOM 539 CD2 PHE A 38 -13.302 2.743 7.675 1.00 0.00 C ATOM 540 CE1 PHE A 38 -11.756 3.999 9.643 1.00 0.00 C ATOM 541 CE2 PHE A 38 -13.867 3.740 8.479 1.00 0.00 C ATOM 542 CZ PHE A 38 -13.094 4.368 9.463 1.00 0.00 C ATOM 0 H PHE A 38 -9.205 2.172 7.543 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.305 1.191 5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -12.144 0.677 6.560 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -10.737 0.635 7.605 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.159 2.715 8.981 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -13.898 2.259 6.916 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.159 4.484 10.401 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -14.899 4.025 8.340 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.530 5.137 10.083 1.00 0.00 H new ATOM 552 N GLU A 39 -12.516 2.998 5.015 1.00 0.00 N ATOM 553 CA GLU A 39 -13.309 4.110 4.361 1.00 0.00 C ATOM 554 C GLU A 39 -12.433 5.283 3.861 1.00 0.00 C ATOM 555 O GLU A 39 -12.326 5.509 2.673 1.00 0.00 O ATOM 556 CB GLU A 39 -14.255 4.595 5.459 1.00 0.00 C ATOM 557 CG GLU A 39 -15.063 5.790 4.948 1.00 0.00 C ATOM 558 CD GLU A 39 -16.101 6.189 5.999 1.00 0.00 C ATOM 559 OE1 GLU A 39 -16.867 5.330 6.402 1.00 0.00 O ATOM 560 OE2 GLU A 39 -16.111 7.347 6.382 1.00 0.00 O ATOM 0 H GLU A 39 -13.071 2.179 5.263 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.817 3.742 3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.926 3.790 5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.686 4.879 6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.399 6.629 4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.558 5.534 4.011 1.00 0.00 H new ATOM 567 N LYS A 40 -11.806 6.025 4.737 1.00 0.00 N ATOM 568 CA LYS A 40 -10.945 7.169 4.281 1.00 0.00 C ATOM 569 C LYS A 40 -10.151 6.814 3.003 1.00 0.00 C ATOM 570 O LYS A 40 -9.775 7.683 2.242 1.00 0.00 O ATOM 571 CB LYS A 40 -9.990 7.426 5.448 1.00 0.00 C ATOM 572 CG LYS A 40 -10.377 8.733 6.144 1.00 0.00 C ATOM 573 CD LYS A 40 -9.119 9.561 6.415 1.00 0.00 C ATOM 574 CE LYS A 40 -8.812 9.547 7.915 1.00 0.00 C ATOM 575 NZ LYS A 40 -7.332 9.406 8.002 1.00 0.00 N ATOM 0 H LYS A 40 -11.850 5.892 5.747 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.545 8.043 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.032 6.598 6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.963 7.484 5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.069 9.298 5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.893 8.520 7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.276 9.154 5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.264 10.585 6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.150 10.465 8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.318 8.720 8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.043 9.389 9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.040 8.520 7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.878 10.211 7.524 1.00 0.00 H new ATOM 589 N ARG A 41 -9.902 5.551 2.764 1.00 0.00 N ATOM 590 CA ARG A 41 -9.149 5.124 1.548 1.00 0.00 C ATOM 591 C ARG A 41 -7.726 5.676 1.553 1.00 0.00 C ATOM 592 O ARG A 41 -7.409 6.618 0.854 1.00 0.00 O ATOM 593 CB ARG A 41 -9.939 5.683 0.371 1.00 0.00 C ATOM 594 CG ARG A 41 -9.342 5.168 -0.939 1.00 0.00 C ATOM 595 CD ARG A 41 -8.795 6.344 -1.752 1.00 0.00 C ATOM 596 NE ARG A 41 -9.931 7.305 -1.853 1.00 0.00 N ATOM 597 CZ ARG A 41 -9.730 8.513 -2.312 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.535 8.886 -2.679 1.00 0.00 N ATOM 599 NH2 ARG A 41 -10.728 9.349 -2.405 1.00 0.00 N ATOM 0 H ARG A 41 -10.194 4.786 3.372 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.052 4.039 1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.985 5.385 0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.916 6.773 0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.545 4.454 -0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.102 4.638 -1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.936 6.799 -1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.462 6.021 -2.738 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.866 7.020 -1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.753 8.235 -2.608 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.382 9.829 -3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.664 9.060 -2.120 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.572 10.291 -2.763 1.00 0.00 H new ATOM 613 N GLU A 42 -6.862 5.086 2.328 1.00 0.00 N ATOM 614 CA GLU A 42 -5.446 5.573 2.363 1.00 0.00 C ATOM 615 C GLU A 42 -4.527 4.547 3.038 1.00 0.00 C ATOM 616 O GLU A 42 -4.775 4.124 4.147 1.00 0.00 O ATOM 617 CB GLU A 42 -5.498 6.862 3.182 1.00 0.00 C ATOM 618 CG GLU A 42 -4.124 7.532 3.169 1.00 0.00 C ATOM 619 CD GLU A 42 -4.151 8.775 4.061 1.00 0.00 C ATOM 620 OE1 GLU A 42 -5.190 9.412 4.123 1.00 0.00 O ATOM 621 OE2 GLU A 42 -3.134 9.067 4.666 1.00 0.00 O ATOM 0 H GLU A 42 -7.067 4.293 2.936 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.046 5.731 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.247 7.537 2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.797 6.642 4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.365 6.835 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.853 7.809 2.150 1.00 0.00 H new ATOM 628 N ALA A 43 -3.458 4.145 2.388 1.00 0.00 N ATOM 629 CA ALA A 43 -2.542 3.154 3.021 1.00 0.00 C ATOM 630 C ALA A 43 -1.112 3.692 3.039 1.00 0.00 C ATOM 631 O ALA A 43 -0.584 4.102 2.034 1.00 0.00 O ATOM 632 CB ALA A 43 -2.639 1.904 2.146 1.00 0.00 C ATOM 0 H ALA A 43 -3.186 4.459 1.456 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.813 2.945 4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.990 1.126 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.669 1.547 2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.327 2.146 1.130 1.00 0.00 H new ATOM 638 N VAL A 44 -0.473 3.683 4.171 1.00 0.00 N ATOM 639 CA VAL A 44 0.928 4.191 4.232 1.00 0.00 C ATOM 640 C VAL A 44 1.861 3.001 4.442 1.00 0.00 C ATOM 641 O VAL A 44 1.535 2.080 5.154 1.00 0.00 O ATOM 642 CB VAL A 44 0.933 5.171 5.416 1.00 0.00 C ATOM 643 CG1 VAL A 44 2.182 4.980 6.286 1.00 0.00 C ATOM 644 CG2 VAL A 44 0.912 6.603 4.879 1.00 0.00 C ATOM 0 H VAL A 44 -0.855 3.348 5.055 1.00 0.00 H new ATOM 0 HA VAL A 44 1.267 4.695 3.327 1.00 0.00 H new ATOM 0 HB VAL A 44 0.052 4.979 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.159 5.686 7.116 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.202 3.962 6.676 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.074 5.155 5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.915 7.305 5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.792 6.772 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.013 6.754 4.281 1.00 0.00 H new ATOM 654 N VAL A 45 2.995 2.978 3.803 1.00 0.00 N ATOM 655 CA VAL A 45 3.875 1.788 3.971 1.00 0.00 C ATOM 656 C VAL A 45 5.365 2.112 3.851 1.00 0.00 C ATOM 657 O VAL A 45 5.774 3.054 3.203 1.00 0.00 O ATOM 658 CB VAL A 45 3.460 0.870 2.825 1.00 0.00 C ATOM 659 CG1 VAL A 45 4.008 1.419 1.507 1.00 0.00 C ATOM 660 CG2 VAL A 45 4.016 -0.535 3.064 1.00 0.00 C ATOM 0 H VAL A 45 3.346 3.711 3.186 1.00 0.00 H new ATOM 0 HA VAL A 45 3.757 1.356 4.965 1.00 0.00 H new ATOM 0 HB VAL A 45 2.372 0.824 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.712 0.763 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.608 2.418 1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.096 1.468 1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.718 -1.189 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.104 -0.492 3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.623 -0.927 4.002 1.00 0.00 H new ATOM 670 N THR A 46 6.170 1.277 4.447 1.00 0.00 N ATOM 671 CA THR A 46 7.648 1.422 4.375 1.00 0.00 C ATOM 672 C THR A 46 8.202 0.101 3.863 1.00 0.00 C ATOM 673 O THR A 46 7.561 -0.922 3.986 1.00 0.00 O ATOM 674 CB THR A 46 8.097 1.666 5.814 1.00 0.00 C ATOM 675 OG1 THR A 46 7.890 3.030 6.155 1.00 0.00 O ATOM 676 CG2 THR A 46 9.580 1.313 5.953 1.00 0.00 C ATOM 0 H THR A 46 5.853 0.478 4.996 1.00 0.00 H new ATOM 0 HA THR A 46 7.983 2.227 3.721 1.00 0.00 H new ATOM 0 HB THR A 46 7.514 1.038 6.488 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.517 3.591 5.653 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.901 1.487 6.980 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.730 0.264 5.699 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.167 1.937 5.279 1.00 0.00 H new ATOM 684 N PHE A 47 9.364 0.090 3.285 1.00 0.00 N ATOM 685 CA PHE A 47 9.892 -1.201 2.782 1.00 0.00 C ATOM 686 C PHE A 47 11.317 -1.050 2.309 1.00 0.00 C ATOM 687 O PHE A 47 11.882 0.021 2.327 1.00 0.00 O ATOM 688 CB PHE A 47 8.993 -1.559 1.603 1.00 0.00 C ATOM 689 CG PHE A 47 9.204 -0.550 0.499 1.00 0.00 C ATOM 690 CD1 PHE A 47 10.205 -0.753 -0.465 1.00 0.00 C ATOM 691 CD2 PHE A 47 8.397 0.595 0.439 1.00 0.00 C ATOM 692 CE1 PHE A 47 10.395 0.187 -1.481 1.00 0.00 C ATOM 693 CE2 PHE A 47 8.590 1.533 -0.580 1.00 0.00 C ATOM 694 CZ PHE A 47 9.588 1.329 -1.540 1.00 0.00 C ATOM 0 H PHE A 47 9.963 0.903 3.140 1.00 0.00 H new ATOM 0 HA PHE A 47 9.893 -1.966 3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.224 -2.562 1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.948 -1.564 1.914 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.827 -1.635 -0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.627 0.752 1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.166 0.032 -2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.969 2.415 -0.626 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.735 2.054 -2.327 1.00 0.00 H new ATOM 704 N ASP A 48 11.878 -2.117 1.840 1.00 0.00 N ATOM 705 CA ASP A 48 13.254 -2.059 1.308 1.00 0.00 C ATOM 706 C ASP A 48 13.155 -2.173 -0.207 1.00 0.00 C ATOM 707 O ASP A 48 12.569 -3.099 -0.729 1.00 0.00 O ATOM 708 CB ASP A 48 13.982 -3.263 1.906 1.00 0.00 C ATOM 709 CG ASP A 48 15.011 -2.780 2.929 1.00 0.00 C ATOM 710 OD1 ASP A 48 14.611 -2.456 4.036 1.00 0.00 O ATOM 711 OD2 ASP A 48 16.182 -2.740 2.589 1.00 0.00 O ATOM 0 H ASP A 48 11.438 -3.036 1.802 1.00 0.00 H new ATOM 0 HA ASP A 48 13.785 -1.140 1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.267 -3.934 2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.476 -3.831 1.118 1.00 0.00 H new ATOM 716 N ASP A 49 13.681 -1.223 -0.920 1.00 0.00 N ATOM 717 CA ASP A 49 13.557 -1.279 -2.403 1.00 0.00 C ATOM 718 C ASP A 49 14.322 -2.486 -2.971 1.00 0.00 C ATOM 719 O ASP A 49 14.258 -2.770 -4.150 1.00 0.00 O ATOM 720 CB ASP A 49 14.112 0.068 -2.905 1.00 0.00 C ATOM 721 CG ASP A 49 15.476 -0.112 -3.584 1.00 0.00 C ATOM 722 OD1 ASP A 49 16.445 -0.323 -2.876 1.00 0.00 O ATOM 723 OD2 ASP A 49 15.524 -0.038 -4.801 1.00 0.00 O ATOM 0 H ASP A 49 14.186 -0.418 -0.549 1.00 0.00 H new ATOM 0 HA ASP A 49 12.527 -1.418 -2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.409 0.515 -3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.208 0.759 -2.068 1.00 0.00 H new ATOM 728 N THR A 50 15.036 -3.199 -2.145 1.00 0.00 N ATOM 729 CA THR A 50 15.787 -4.384 -2.648 1.00 0.00 C ATOM 730 C THR A 50 14.814 -5.431 -3.199 1.00 0.00 C ATOM 731 O THR A 50 15.086 -6.087 -4.185 1.00 0.00 O ATOM 732 CB THR A 50 16.529 -4.931 -1.427 1.00 0.00 C ATOM 733 OG1 THR A 50 15.660 -4.917 -0.303 1.00 0.00 O ATOM 734 CG2 THR A 50 17.755 -4.063 -1.141 1.00 0.00 C ATOM 0 H THR A 50 15.132 -3.014 -1.147 1.00 0.00 H new ATOM 0 HA THR A 50 16.470 -4.127 -3.458 1.00 0.00 H new ATOM 0 HB THR A 50 16.851 -5.953 -1.624 1.00 0.00 H new ATOM 0 HG1 THR A 50 16.133 -5.269 0.480 1.00 0.00 H new ATOM 0 HG21 THR A 50 18.283 -4.454 -0.271 1.00 0.00 H new ATOM 0 HG22 THR A 50 18.420 -4.076 -2.005 1.00 0.00 H new ATOM 0 HG23 THR A 50 17.438 -3.039 -0.943 1.00 0.00 H new ATOM 742 N LYS A 51 13.681 -5.596 -2.569 1.00 0.00 N ATOM 743 CA LYS A 51 12.697 -6.604 -3.061 1.00 0.00 C ATOM 744 C LYS A 51 11.310 -5.970 -3.215 1.00 0.00 C ATOM 745 O LYS A 51 10.303 -6.649 -3.198 1.00 0.00 O ATOM 746 CB LYS A 51 12.674 -7.692 -1.988 1.00 0.00 C ATOM 747 CG LYS A 51 13.506 -8.887 -2.457 1.00 0.00 C ATOM 748 CD LYS A 51 12.909 -10.178 -1.893 1.00 0.00 C ATOM 749 CE LYS A 51 11.896 -10.750 -2.887 1.00 0.00 C ATOM 750 NZ LYS A 51 12.683 -11.679 -3.745 1.00 0.00 N ATOM 0 H LYS A 51 13.395 -5.078 -1.738 1.00 0.00 H new ATOM 0 HA LYS A 51 12.970 -7.000 -4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.073 -7.303 -1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.648 -8.004 -1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.523 -8.927 -3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.539 -8.777 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.699 -10.905 -1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.424 -9.980 -0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.091 -11.274 -2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.435 -9.960 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.057 -12.112 -4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.438 -11.151 -4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.104 -12.424 -3.154 1.00 0.00 H new ATOM 764 N ALA A 52 11.251 -4.676 -3.373 1.00 0.00 N ATOM 765 CA ALA A 52 9.929 -4.002 -3.537 1.00 0.00 C ATOM 766 C ALA A 52 10.128 -2.547 -3.961 1.00 0.00 C ATOM 767 O ALA A 52 11.225 -2.122 -4.267 1.00 0.00 O ATOM 768 CB ALA A 52 9.265 -4.066 -2.162 1.00 0.00 C ATOM 0 H ALA A 52 12.060 -4.055 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 52 9.321 -4.482 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.286 -3.588 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.146 -5.108 -1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.888 -3.548 -1.433 1.00 0.00 H new ATOM 774 N SER A 53 9.074 -1.780 -3.982 1.00 0.00 N ATOM 775 CA SER A 53 9.200 -0.354 -4.387 1.00 0.00 C ATOM 776 C SER A 53 7.830 0.321 -4.343 1.00 0.00 C ATOM 777 O SER A 53 6.808 -0.323 -4.454 1.00 0.00 O ATOM 778 CB SER A 53 9.734 -0.396 -5.818 1.00 0.00 C ATOM 779 OG SER A 53 11.002 0.244 -5.866 1.00 0.00 O ATOM 0 H SER A 53 8.131 -2.080 -3.736 1.00 0.00 H new ATOM 0 HA SER A 53 9.857 0.212 -3.726 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.822 -1.429 -6.155 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.037 0.101 -6.493 1.00 0.00 H new ATOM 0 HG SER A 53 11.657 -0.289 -5.368 1.00 0.00 H new ATOM 785 N VAL A 54 7.801 1.612 -4.186 1.00 0.00 N ATOM 786 CA VAL A 54 6.495 2.326 -4.147 1.00 0.00 C ATOM 787 C VAL A 54 5.582 1.782 -5.246 1.00 0.00 C ATOM 788 O VAL A 54 4.384 1.671 -5.073 1.00 0.00 O ATOM 789 CB VAL A 54 6.844 3.791 -4.400 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.642 3.914 -5.699 1.00 0.00 C ATOM 791 CG2 VAL A 54 5.557 4.605 -4.515 1.00 0.00 C ATOM 0 H VAL A 54 8.624 2.205 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 54 5.967 2.197 -3.202 1.00 0.00 H new ATOM 0 HB VAL A 54 7.444 4.168 -3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.889 4.961 -5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.561 3.333 -5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.046 3.536 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.803 5.651 -4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.959 4.225 -5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.989 4.521 -3.588 1.00 0.00 H new ATOM 801 N GLN A 55 6.142 1.421 -6.367 1.00 0.00 N ATOM 802 CA GLN A 55 5.308 0.861 -7.465 1.00 0.00 C ATOM 803 C GLN A 55 4.716 -0.474 -7.009 1.00 0.00 C ATOM 804 O GLN A 55 3.540 -0.735 -7.166 1.00 0.00 O ATOM 805 CB GLN A 55 6.277 0.650 -8.631 1.00 0.00 C ATOM 806 CG GLN A 55 5.557 0.917 -9.955 1.00 0.00 C ATOM 807 CD GLN A 55 6.587 1.050 -11.079 1.00 0.00 C ATOM 808 OE1 GLN A 55 7.775 1.096 -10.827 1.00 0.00 O ATOM 809 NE2 GLN A 55 6.181 1.116 -12.318 1.00 0.00 N ATOM 0 H GLN A 55 7.139 1.490 -6.569 1.00 0.00 H new ATOM 0 HA GLN A 55 4.480 1.512 -7.746 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.133 1.317 -8.530 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.664 -0.369 -8.615 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.866 0.104 -10.175 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.964 1.829 -9.881 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.184 1.077 -12.531 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.861 1.206 -13.073 1.00 0.00 H new ATOM 818 N LYS A 56 5.534 -1.317 -6.440 1.00 0.00 N ATOM 819 CA LYS A 56 5.042 -2.639 -5.961 1.00 0.00 C ATOM 820 C LYS A 56 4.027 -2.466 -4.824 1.00 0.00 C ATOM 821 O LYS A 56 3.186 -3.316 -4.608 1.00 0.00 O ATOM 822 CB LYS A 56 6.290 -3.368 -5.462 1.00 0.00 C ATOM 823 CG LYS A 56 6.685 -4.446 -6.474 1.00 0.00 C ATOM 824 CD LYS A 56 8.177 -4.757 -6.338 1.00 0.00 C ATOM 825 CE LYS A 56 8.740 -5.166 -7.702 1.00 0.00 C ATOM 826 NZ LYS A 56 8.994 -6.630 -7.593 1.00 0.00 N ATOM 0 H LYS A 56 6.528 -1.145 -6.286 1.00 0.00 H new ATOM 0 HA LYS A 56 4.530 -3.192 -6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.109 -2.661 -5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.097 -3.820 -4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.098 -5.349 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.465 -4.107 -7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.708 -3.883 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.328 -5.559 -5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.033 -4.947 -8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.657 -4.622 -7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.737 -7.095 -8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.002 -6.794 -7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.421 -7.025 -6.820 1.00 0.00 H new ATOM 840 N LEU A 57 4.074 -1.374 -4.103 1.00 0.00 N ATOM 841 CA LEU A 57 3.080 -1.185 -3.008 1.00 0.00 C ATOM 842 C LEU A 57 1.721 -0.898 -3.639 1.00 0.00 C ATOM 843 O LEU A 57 0.749 -1.593 -3.412 1.00 0.00 O ATOM 844 CB LEU A 57 3.559 0.027 -2.210 1.00 0.00 C ATOM 845 CG LEU A 57 5.034 -0.130 -1.829 1.00 0.00 C ATOM 846 CD1 LEU A 57 5.501 1.149 -1.143 1.00 0.00 C ATOM 847 CD2 LEU A 57 5.205 -1.309 -0.867 1.00 0.00 C ATOM 0 H LEU A 57 4.747 -0.617 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 57 2.988 -2.061 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.424 0.934 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.955 0.139 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 57 5.624 -0.316 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.551 1.051 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.383 1.991 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.904 1.320 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.257 -1.413 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.619 -1.131 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.860 -2.224 -1.348 1.00 0.00 H new ATOM 859 N THR A 58 1.663 0.113 -4.458 1.00 0.00 N ATOM 860 CA THR A 58 0.391 0.447 -5.146 1.00 0.00 C ATOM 861 C THR A 58 0.018 -0.714 -6.059 1.00 0.00 C ATOM 862 O THR A 58 -1.119 -0.872 -6.454 1.00 0.00 O ATOM 863 CB THR A 58 0.701 1.694 -5.971 1.00 0.00 C ATOM 864 OG1 THR A 58 1.693 2.467 -5.310 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.568 2.527 -6.142 1.00 0.00 C ATOM 0 H THR A 58 2.448 0.725 -4.680 1.00 0.00 H new ATOM 0 HA THR A 58 -0.437 0.620 -4.459 1.00 0.00 H new ATOM 0 HB THR A 58 1.069 1.395 -6.952 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.473 2.568 -5.895 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.343 3.416 -6.731 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.326 1.934 -6.654 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.942 2.826 -5.163 1.00 0.00 H new ATOM 873 N LYS A 59 0.980 -1.535 -6.388 1.00 0.00 N ATOM 874 CA LYS A 59 0.699 -2.702 -7.262 1.00 0.00 C ATOM 875 C LYS A 59 0.122 -3.828 -6.413 1.00 0.00 C ATOM 876 O LYS A 59 -0.616 -4.665 -6.891 1.00 0.00 O ATOM 877 CB LYS A 59 2.054 -3.100 -7.847 1.00 0.00 C ATOM 878 CG LYS A 59 1.873 -4.281 -8.802 1.00 0.00 C ATOM 879 CD LYS A 59 2.901 -4.187 -9.932 1.00 0.00 C ATOM 880 CE LYS A 59 4.009 -5.217 -9.701 1.00 0.00 C ATOM 881 NZ LYS A 59 5.275 -4.502 -10.023 1.00 0.00 N ATOM 0 H LYS A 59 1.950 -1.444 -6.086 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.021 -2.482 -8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.495 -2.255 -8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.743 -3.369 -7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.995 -5.220 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.864 -4.278 -9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.418 -4.366 -10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.325 -3.183 -9.970 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.008 -5.573 -8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.876 -6.090 -10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.081 -5.145 -9.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.250 -4.181 -11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.379 -3.680 -9.394 1.00 0.00 H new ATOM 895 N ALA A 60 0.442 -3.847 -5.145 1.00 0.00 N ATOM 896 CA ALA A 60 -0.110 -4.911 -4.265 1.00 0.00 C ATOM 897 C ALA A 60 -1.593 -4.641 -4.025 1.00 0.00 C ATOM 898 O ALA A 60 -2.412 -5.537 -4.074 1.00 0.00 O ATOM 899 CB ALA A 60 0.686 -4.817 -2.964 1.00 0.00 C ATOM 0 H ALA A 60 1.058 -3.175 -4.686 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.027 -5.907 -4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.332 -5.575 -2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.743 -4.981 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.551 -3.828 -2.526 1.00 0.00 H new ATOM 905 N THR A 61 -1.954 -3.407 -3.804 1.00 0.00 N ATOM 906 CA THR A 61 -3.395 -3.093 -3.610 1.00 0.00 C ATOM 907 C THR A 61 -4.057 -3.133 -4.978 1.00 0.00 C ATOM 908 O THR A 61 -5.171 -3.600 -5.143 1.00 0.00 O ATOM 909 CB THR A 61 -3.429 -1.686 -3.020 1.00 0.00 C ATOM 910 OG1 THR A 61 -4.776 -1.318 -2.753 1.00 0.00 O ATOM 911 CG2 THR A 61 -2.813 -0.692 -4.006 1.00 0.00 C ATOM 0 H THR A 61 -1.319 -2.610 -3.750 1.00 0.00 H new ATOM 0 HA THR A 61 -3.916 -3.791 -2.954 1.00 0.00 H new ATOM 0 HB THR A 61 -2.855 -1.671 -2.093 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.196 -0.995 -3.577 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.841 0.310 -3.578 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.779 -0.972 -4.207 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.380 -0.705 -4.937 1.00 0.00 H new ATOM 919 N ALA A 62 -3.347 -2.680 -5.974 1.00 0.00 N ATOM 920 CA ALA A 62 -3.898 -2.723 -7.347 1.00 0.00 C ATOM 921 C ALA A 62 -4.173 -4.182 -7.696 1.00 0.00 C ATOM 922 O ALA A 62 -5.091 -4.500 -8.426 1.00 0.00 O ATOM 923 CB ALA A 62 -2.803 -2.143 -8.243 1.00 0.00 C ATOM 0 H ALA A 62 -2.411 -2.283 -5.892 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.826 -2.163 -7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.142 -2.144 -9.279 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.583 -1.121 -7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.902 -2.750 -8.156 1.00 0.00 H new ATOM 929 N ASP A 63 -3.389 -5.077 -7.149 1.00 0.00 N ATOM 930 CA ASP A 63 -3.609 -6.521 -7.415 1.00 0.00 C ATOM 931 C ASP A 63 -4.560 -7.077 -6.357 1.00 0.00 C ATOM 932 O ASP A 63 -5.134 -8.135 -6.514 1.00 0.00 O ATOM 933 CB ASP A 63 -2.228 -7.170 -7.305 1.00 0.00 C ATOM 934 CG ASP A 63 -2.305 -8.619 -7.788 1.00 0.00 C ATOM 935 OD1 ASP A 63 -3.099 -9.365 -7.238 1.00 0.00 O ATOM 936 OD2 ASP A 63 -1.568 -8.960 -8.699 1.00 0.00 O ATOM 0 H ASP A 63 -2.607 -4.864 -6.530 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.052 -6.712 -8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.505 -6.614 -7.902 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.881 -7.138 -6.272 1.00 0.00 H new ATOM 941 N ALA A 64 -4.749 -6.351 -5.285 1.00 0.00 N ATOM 942 CA ALA A 64 -5.682 -6.817 -4.230 1.00 0.00 C ATOM 943 C ALA A 64 -7.104 -6.668 -4.752 1.00 0.00 C ATOM 944 O ALA A 64 -8.027 -7.304 -4.284 1.00 0.00 O ATOM 945 CB ALA A 64 -5.439 -5.887 -3.041 1.00 0.00 C ATOM 0 H ALA A 64 -4.295 -5.457 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.532 -7.859 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.095 -6.170 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.400 -5.969 -2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.648 -4.858 -3.335 1.00 0.00 H new ATOM 951 N GLY A 65 -7.277 -5.827 -5.734 1.00 0.00 N ATOM 952 CA GLY A 65 -8.630 -5.625 -6.309 1.00 0.00 C ATOM 953 C GLY A 65 -9.055 -4.175 -6.113 1.00 0.00 C ATOM 954 O GLY A 65 -10.228 -3.858 -6.098 1.00 0.00 O ATOM 0 H GLY A 65 -6.536 -5.271 -6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.626 -5.874 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.345 -6.293 -5.828 1.00 0.00 H new ATOM 958 N TYR A 66 -8.110 -3.289 -5.960 1.00 0.00 N ATOM 959 CA TYR A 66 -8.464 -1.857 -5.756 1.00 0.00 C ATOM 960 C TYR A 66 -7.512 -0.949 -6.545 1.00 0.00 C ATOM 961 O TYR A 66 -6.379 -0.760 -6.149 1.00 0.00 O ATOM 962 CB TYR A 66 -8.297 -1.629 -4.252 1.00 0.00 C ATOM 963 CG TYR A 66 -8.946 -2.764 -3.499 1.00 0.00 C ATOM 964 CD1 TYR A 66 -10.304 -3.028 -3.691 1.00 0.00 C ATOM 965 CD2 TYR A 66 -8.194 -3.553 -2.616 1.00 0.00 C ATOM 966 CE1 TYR A 66 -10.918 -4.080 -3.000 1.00 0.00 C ATOM 967 CE2 TYR A 66 -8.808 -4.603 -1.927 1.00 0.00 C ATOM 968 CZ TYR A 66 -10.169 -4.868 -2.120 1.00 0.00 C ATOM 969 OH TYR A 66 -10.773 -5.905 -1.438 1.00 0.00 O ATOM 0 H TYR A 66 -7.111 -3.494 -5.967 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.472 -1.627 -6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.239 -1.567 -3.998 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.750 -0.680 -3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.881 -2.421 -4.373 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.144 -3.350 -2.469 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.969 -4.283 -3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.232 -5.211 -1.245 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.241 -6.721 -1.545 1.00 0.00 H new ATOM 979 N PRO A 67 -8.001 -0.400 -7.634 1.00 0.00 N ATOM 980 CA PRO A 67 -7.171 0.505 -8.461 1.00 0.00 C ATOM 981 C PRO A 67 -6.683 1.672 -7.601 1.00 0.00 C ATOM 982 O PRO A 67 -7.377 2.650 -7.409 1.00 0.00 O ATOM 983 CB PRO A 67 -8.152 0.973 -9.540 1.00 0.00 C ATOM 984 CG PRO A 67 -9.502 0.260 -9.323 1.00 0.00 C ATOM 985 CD PRO A 67 -9.387 -0.648 -8.091 1.00 0.00 C ATOM 0 HA PRO A 67 -6.278 0.042 -8.882 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.283 2.054 -9.489 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.760 0.746 -10.531 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.297 0.992 -9.180 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.764 -0.328 -10.203 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.119 -0.388 -7.326 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.549 -1.696 -8.343 1.00 0.00 H new ATOM 993 N SER A 68 -5.503 1.559 -7.060 1.00 0.00 N ATOM 994 CA SER A 68 -4.976 2.643 -6.184 1.00 0.00 C ATOM 995 C SER A 68 -3.813 3.381 -6.856 1.00 0.00 C ATOM 996 O SER A 68 -3.455 3.111 -7.986 1.00 0.00 O ATOM 997 CB SER A 68 -4.501 1.908 -4.930 1.00 0.00 C ATOM 998 OG SER A 68 -3.561 2.711 -4.231 1.00 0.00 O ATOM 0 H SER A 68 -4.879 0.762 -7.186 1.00 0.00 H new ATOM 0 HA SER A 68 -5.726 3.404 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.351 1.682 -4.286 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.047 0.956 -5.205 1.00 0.00 H new ATOM 0 HG SER A 68 -3.500 2.409 -3.301 1.00 0.00 H new ATOM 1004 N SER A 69 -3.218 4.305 -6.154 1.00 0.00 N ATOM 1005 CA SER A 69 -2.075 5.069 -6.705 1.00 0.00 C ATOM 1006 C SER A 69 -1.139 5.401 -5.548 1.00 0.00 C ATOM 1007 O SER A 69 -1.356 4.974 -4.433 1.00 0.00 O ATOM 1008 CB SER A 69 -2.682 6.339 -7.297 1.00 0.00 C ATOM 1009 OG SER A 69 -1.797 6.869 -8.276 1.00 0.00 O ATOM 0 H SER A 69 -3.484 4.564 -5.204 1.00 0.00 H new ATOM 0 HA SER A 69 -1.509 4.526 -7.462 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.650 6.118 -7.746 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.856 7.074 -6.511 1.00 0.00 H new ATOM 0 HG SER A 69 -2.184 7.684 -8.660 1.00 0.00 H new ATOM 1015 N VAL A 70 -0.098 6.131 -5.784 1.00 0.00 N ATOM 1016 CA VAL A 70 0.824 6.437 -4.668 1.00 0.00 C ATOM 1017 C VAL A 70 1.219 7.910 -4.652 1.00 0.00 C ATOM 1018 O VAL A 70 1.108 8.605 -5.641 1.00 0.00 O ATOM 1019 CB VAL A 70 2.018 5.553 -4.953 1.00 0.00 C ATOM 1020 CG1 VAL A 70 2.795 6.112 -6.147 1.00 0.00 C ATOM 1021 CG2 VAL A 70 2.925 5.507 -3.724 1.00 0.00 C ATOM 0 H VAL A 70 0.155 6.526 -6.690 1.00 0.00 H new ATOM 0 HA VAL A 70 0.378 6.254 -3.690 1.00 0.00 H new ATOM 0 HB VAL A 70 1.676 4.545 -5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.655 5.475 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.147 6.139 -7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.137 7.121 -5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.785 4.870 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.268 6.514 -3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.370 5.104 -2.877 1.00 0.00 H new ATOM 1031 N LYS A 71 1.677 8.392 -3.526 1.00 0.00 N ATOM 1032 CA LYS A 71 2.074 9.830 -3.454 1.00 0.00 C ATOM 1033 C LYS A 71 3.214 10.036 -2.456 1.00 0.00 C ATOM 1034 O LYS A 71 3.179 10.938 -1.644 1.00 0.00 O ATOM 1035 CB LYS A 71 0.817 10.568 -2.992 1.00 0.00 C ATOM 1036 CG LYS A 71 0.506 10.184 -1.545 1.00 0.00 C ATOM 1037 CD LYS A 71 -1.005 10.019 -1.373 1.00 0.00 C ATOM 1038 CE LYS A 71 -1.513 11.025 -0.337 1.00 0.00 C ATOM 1039 NZ LYS A 71 -2.984 11.099 -0.560 1.00 0.00 N ATOM 0 H LYS A 71 1.792 7.860 -2.663 1.00 0.00 H new ATOM 0 HA LYS A 71 2.437 10.196 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.965 11.645 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.025 10.314 -3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.015 9.256 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.878 10.951 -0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.510 10.176 -2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.237 9.003 -1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.284 10.697 0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.044 12.000 -0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.404 11.770 0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.172 11.420 -1.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.404 10.158 -0.419 1.00 0.00 H new ATOM 1053 N GLN A 72 4.226 9.213 -2.533 1.00 0.00 N ATOM 1054 CA GLN A 72 5.398 9.346 -1.609 1.00 0.00 C ATOM 1055 C GLN A 72 4.967 9.881 -0.239 1.00 0.00 C ATOM 1056 O GLN A 72 4.707 9.074 0.637 1.00 0.00 O ATOM 1057 CB GLN A 72 6.329 10.341 -2.302 1.00 0.00 C ATOM 1058 CG GLN A 72 6.747 9.785 -3.665 1.00 0.00 C ATOM 1059 CD GLN A 72 5.615 9.997 -4.673 1.00 0.00 C ATOM 1060 OE1 GLN A 72 5.010 11.050 -4.713 1.00 0.00 O ATOM 1061 NE2 GLN A 72 5.302 9.034 -5.496 1.00 0.00 N ATOM 1062 OXT GLN A 72 4.908 11.090 -0.090 1.00 0.00 O ATOM 0 H GLN A 72 4.294 8.446 -3.202 1.00 0.00 H new ATOM 0 HA GLN A 72 5.877 8.385 -1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.826 11.300 -2.427 1.00 0.00 H new ATOM 0 HB3 GLN A 72 7.210 10.522 -1.685 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.653 10.283 -4.010 1.00 0.00 H new ATOM 0 HG3 GLN A 72 6.979 8.723 -3.581 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.809 8.150 -5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.550 9.165 -6.172 1.00 0.00 H new