USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, 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 61 THR OG1 : rot -122:sc= -2.12! USER MOD Set 1.2: A 68 SER OG : rot -21:sc= -4.26! USER MOD Set 2.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.029) USER MOD Single : A 4 THR OG1 : rot 65:sc= 1.1 USER MOD Single : A 6 THR OG1 : rot 180:sc= -6.42! USER MOD Single : A 12 MET CE :methyl -124:sc= -21.1! (180deg=-32.8!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 119:sc= 0.655 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 126:sc= 0.0215 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 46 THR OG1 : rot 180:sc= -2.32! USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.157) USER MOD Single : A 53 SER OG : rot 64:sc= 0.244 USER MOD Single : A 55 GLN : amide:sc= -0.0624 X(o=-0.062,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= -0.127 (180deg=-0.128) USER MOD Single : A 58 THR OG1 : rot 111:sc= -1.85! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -39:sc= -0.411 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 131:sc= -0.0608 (180deg=-0.885) USER MOD Single : A 72 GLN : amide:sc= -0.0555 K(o=-0.055,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.038 2.153 0.563 1.00 0.00 N ATOM 2 CA ALA A 1 16.894 1.293 0.142 1.00 0.00 C ATOM 3 C ALA A 1 15.827 1.262 1.237 1.00 0.00 C ATOM 4 O ALA A 1 15.505 0.224 1.769 1.00 0.00 O ATOM 5 CB ALA A 1 17.495 -0.095 -0.056 1.00 0.00 C ATOM 0 H1 ALA A 1 18.757 2.167 -0.188 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.699 3.121 0.736 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.456 1.772 1.435 1.00 0.00 H new ATOM 0 HA ALA A 1 16.411 1.662 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.714 -0.789 -0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.268 -0.051 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.933 -0.439 0.881 1.00 0.00 H new ATOM 13 N THR A 2 15.281 2.399 1.567 1.00 0.00 N ATOM 14 CA THR A 2 14.240 2.479 2.611 1.00 0.00 C ATOM 15 C THR A 2 13.372 3.700 2.316 1.00 0.00 C ATOM 16 O THR A 2 13.644 4.791 2.777 1.00 0.00 O ATOM 17 CB THR A 2 15.005 2.681 3.909 1.00 0.00 C ATOM 18 OG1 THR A 2 16.334 3.097 3.623 1.00 0.00 O ATOM 19 CG2 THR A 2 15.034 1.375 4.700 1.00 0.00 C ATOM 0 H THR A 2 15.524 3.294 1.142 1.00 0.00 H new ATOM 0 HA THR A 2 13.599 1.599 2.658 1.00 0.00 H new ATOM 0 HB THR A 2 14.508 3.449 4.502 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.823 3.228 4.462 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.583 1.525 5.629 1.00 0.00 H new ATOM 0 HG22 THR A 2 14.014 1.065 4.927 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.525 0.602 4.109 1.00 0.00 H new ATOM 27 N GLN A 3 12.358 3.543 1.521 1.00 0.00 N ATOM 28 CA GLN A 3 11.514 4.726 1.169 1.00 0.00 C ATOM 29 C GLN A 3 10.033 4.462 1.440 1.00 0.00 C ATOM 30 O GLN A 3 9.567 3.341 1.402 1.00 0.00 O ATOM 31 CB GLN A 3 11.726 4.979 -0.338 1.00 0.00 C ATOM 32 CG GLN A 3 12.906 4.158 -0.880 1.00 0.00 C ATOM 33 CD GLN A 3 13.396 4.770 -2.193 1.00 0.00 C ATOM 34 OE1 GLN A 3 13.472 4.094 -3.200 1.00 0.00 O ATOM 35 NE2 GLN A 3 13.734 6.029 -2.226 1.00 0.00 N ATOM 0 H GLN A 3 12.073 2.659 1.100 1.00 0.00 H new ATOM 0 HA GLN A 3 11.801 5.585 1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.819 4.720 -0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.909 6.040 -0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.716 4.141 -0.151 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.600 3.124 -1.041 1.00 0.00 H new ATOM 0 HE21 GLN A 3 13.670 6.596 -1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 3 14.062 6.446 -3.097 1.00 0.00 H new ATOM 44 N THR A 4 9.294 5.506 1.699 1.00 0.00 N ATOM 45 CA THR A 4 7.836 5.362 1.959 1.00 0.00 C ATOM 46 C THR A 4 7.048 6.127 0.899 1.00 0.00 C ATOM 47 O THR A 4 7.527 7.080 0.320 1.00 0.00 O ATOM 48 CB THR A 4 7.576 5.979 3.343 1.00 0.00 C ATOM 49 OG1 THR A 4 6.362 6.714 3.308 1.00 0.00 O ATOM 50 CG2 THR A 4 8.716 6.911 3.756 1.00 0.00 C ATOM 0 H THR A 4 9.644 6.463 1.742 1.00 0.00 H new ATOM 0 HA THR A 4 7.528 4.317 1.927 1.00 0.00 H new ATOM 0 HB THR A 4 7.510 5.171 4.072 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.614 6.103 3.142 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.504 7.332 4.739 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.649 6.349 3.796 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.809 7.717 3.028 1.00 0.00 H new ATOM 58 N VAL A 5 5.840 5.722 0.649 1.00 0.00 N ATOM 59 CA VAL A 5 5.013 6.429 -0.365 1.00 0.00 C ATOM 60 C VAL A 5 3.557 6.407 0.069 1.00 0.00 C ATOM 61 O VAL A 5 3.183 5.723 0.995 1.00 0.00 O ATOM 62 CB VAL A 5 5.195 5.635 -1.657 1.00 0.00 C ATOM 63 CG1 VAL A 5 6.685 5.521 -1.986 1.00 0.00 C ATOM 64 CG2 VAL A 5 4.604 4.237 -1.478 1.00 0.00 C ATOM 0 H VAL A 5 5.386 4.930 1.103 1.00 0.00 H new ATOM 0 HA VAL A 5 5.305 7.472 -0.490 1.00 0.00 H new ATOM 0 HB VAL A 5 4.685 6.147 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.812 4.954 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.107 6.518 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.199 5.010 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.732 3.667 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.116 3.727 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.542 4.318 -1.246 1.00 0.00 H new ATOM 74 N THR A 6 2.730 7.130 -0.605 1.00 0.00 N ATOM 75 CA THR A 6 1.296 7.133 -0.249 1.00 0.00 C ATOM 76 C THR A 6 0.559 6.379 -1.349 1.00 0.00 C ATOM 77 O THR A 6 1.045 6.267 -2.454 1.00 0.00 O ATOM 78 CB THR A 6 0.913 8.626 -0.183 1.00 0.00 C ATOM 79 OG1 THR A 6 0.409 8.924 1.109 1.00 0.00 O ATOM 80 CG2 THR A 6 -0.151 8.977 -1.231 1.00 0.00 C ATOM 0 H THR A 6 2.984 7.725 -1.394 1.00 0.00 H new ATOM 0 HA THR A 6 1.051 6.649 0.696 1.00 0.00 H new ATOM 0 HB THR A 6 1.806 9.216 -0.389 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.166 9.872 1.155 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.398 10.036 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.235 8.763 -2.228 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.047 8.382 -1.053 1.00 0.00 H new ATOM 88 N LEU A 7 -0.588 5.844 -1.078 1.00 0.00 N ATOM 89 CA LEU A 7 -1.281 5.097 -2.160 1.00 0.00 C ATOM 90 C LEU A 7 -2.753 5.486 -2.247 1.00 0.00 C ATOM 91 O LEU A 7 -3.393 5.802 -1.266 1.00 0.00 O ATOM 92 CB LEU A 7 -1.128 3.613 -1.807 1.00 0.00 C ATOM 93 CG LEU A 7 -0.239 2.942 -2.851 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.058 3.723 -2.988 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.091 1.508 -2.425 1.00 0.00 C ATOM 0 H LEU A 7 -1.070 5.886 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.849 5.324 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.690 3.505 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.105 3.130 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.770 2.923 -3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.694 3.245 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.837 4.744 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.575 3.741 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.725 1.041 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.615 1.524 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.832 0.937 -2.324 1.00 0.00 H new ATOM 107 N ALA A 8 -3.285 5.450 -3.431 1.00 0.00 N ATOM 108 CA ALA A 8 -4.722 5.798 -3.624 1.00 0.00 C ATOM 109 C ALA A 8 -5.466 4.572 -4.149 1.00 0.00 C ATOM 110 O ALA A 8 -5.235 4.126 -5.254 1.00 0.00 O ATOM 111 CB ALA A 8 -4.730 6.919 -4.664 1.00 0.00 C ATOM 0 H ALA A 8 -2.786 5.193 -4.282 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.209 6.111 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.757 7.228 -4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.160 7.769 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.278 6.560 -5.589 1.00 0.00 H new ATOM 117 N VAL A 9 -6.341 4.006 -3.367 1.00 0.00 N ATOM 118 CA VAL A 9 -7.067 2.790 -3.838 1.00 0.00 C ATOM 119 C VAL A 9 -8.547 3.084 -4.121 1.00 0.00 C ATOM 120 O VAL A 9 -9.405 2.658 -3.378 1.00 0.00 O ATOM 121 CB VAL A 9 -6.940 1.798 -2.681 1.00 0.00 C ATOM 122 CG1 VAL A 9 -7.665 0.499 -3.037 1.00 0.00 C ATOM 123 CG2 VAL A 9 -5.461 1.502 -2.423 1.00 0.00 C ATOM 0 H VAL A 9 -6.585 4.327 -2.430 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.652 2.413 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.387 2.228 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.573 -0.207 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.719 0.709 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.220 0.068 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.370 0.795 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.014 1.073 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.944 2.427 -2.167 1.00 0.00 H new ATOM 133 N PRO A 10 -8.807 3.777 -5.206 1.00 0.00 N ATOM 134 CA PRO A 10 -10.203 4.093 -5.589 1.00 0.00 C ATOM 135 C PRO A 10 -11.004 2.800 -5.770 1.00 0.00 C ATOM 136 O PRO A 10 -12.217 2.813 -5.843 1.00 0.00 O ATOM 137 CB PRO A 10 -10.031 4.824 -6.923 1.00 0.00 C ATOM 138 CG PRO A 10 -8.532 4.859 -7.275 1.00 0.00 C ATOM 139 CD PRO A 10 -7.738 4.275 -6.099 1.00 0.00 C ATOM 0 HA PRO A 10 -10.743 4.682 -4.847 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.592 4.316 -7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.427 5.837 -6.853 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.343 4.284 -8.181 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.214 5.882 -7.475 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.070 3.475 -6.418 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.121 5.030 -5.611 1.00 0.00 H new ATOM 147 N GLY A 11 -10.331 1.681 -5.840 1.00 0.00 N ATOM 148 CA GLY A 11 -11.049 0.388 -6.010 1.00 0.00 C ATOM 149 C GLY A 11 -11.544 -0.110 -4.648 1.00 0.00 C ATOM 150 O GLY A 11 -11.922 -1.255 -4.497 1.00 0.00 O ATOM 0 H GLY A 11 -9.315 1.609 -5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.892 0.515 -6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.386 -0.351 -6.459 1.00 0.00 H new ATOM 154 N MET A 12 -11.559 0.743 -3.657 1.00 0.00 N ATOM 155 CA MET A 12 -12.046 0.314 -2.316 1.00 0.00 C ATOM 156 C MET A 12 -13.509 0.713 -2.156 1.00 0.00 C ATOM 157 O MET A 12 -14.174 1.039 -3.118 1.00 0.00 O ATOM 158 CB MET A 12 -11.164 1.028 -1.282 1.00 0.00 C ATOM 159 CG MET A 12 -11.262 2.553 -1.428 1.00 0.00 C ATOM 160 SD MET A 12 -12.771 3.165 -0.638 1.00 0.00 S ATOM 161 CE MET A 12 -12.032 3.612 0.950 1.00 0.00 C ATOM 0 H MET A 12 -11.256 1.715 -3.719 1.00 0.00 H new ATOM 0 HA MET A 12 -11.984 -0.767 -2.186 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.468 0.736 -0.277 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.128 0.714 -1.405 1.00 0.00 H new ATOM 0 HG2 MET A 12 -10.390 3.025 -0.976 1.00 0.00 H new ATOM 0 HG3 MET A 12 -11.260 2.825 -2.484 1.00 0.00 H new ATOM 0 HE1 MET A 12 -12.558 3.098 1.754 1.00 0.00 H new ATOM 0 HE2 MET A 12 -10.982 3.319 0.958 1.00 0.00 H new ATOM 0 HE3 MET A 12 -12.109 4.689 1.097 1.00 0.00 H new ATOM 171 N THR A 13 -14.021 0.699 -0.957 1.00 0.00 N ATOM 172 CA THR A 13 -15.448 1.086 -0.776 1.00 0.00 C ATOM 173 C THR A 13 -15.888 0.976 0.691 1.00 0.00 C ATOM 174 O THR A 13 -16.825 1.628 1.105 1.00 0.00 O ATOM 175 CB THR A 13 -16.223 0.101 -1.647 1.00 0.00 C ATOM 176 OG1 THR A 13 -17.608 0.187 -1.345 1.00 0.00 O ATOM 177 CG2 THR A 13 -15.724 -1.318 -1.376 1.00 0.00 C ATOM 0 H THR A 13 -13.522 0.440 -0.106 1.00 0.00 H new ATOM 0 HA THR A 13 -15.622 2.125 -1.056 1.00 0.00 H new ATOM 0 HB THR A 13 -16.069 0.344 -2.698 1.00 0.00 H new ATOM 0 HG1 THR A 13 -18.105 -0.445 -1.906 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.277 -2.023 -1.997 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.662 -1.381 -1.612 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.877 -1.563 -0.325 1.00 0.00 H new ATOM 185 N CYS A 14 -15.244 0.159 1.485 1.00 0.00 N ATOM 186 CA CYS A 14 -15.677 0.040 2.907 1.00 0.00 C ATOM 187 C CYS A 14 -14.542 -0.510 3.773 1.00 0.00 C ATOM 188 O CYS A 14 -13.383 -0.365 3.457 1.00 0.00 O ATOM 189 CB CYS A 14 -16.875 -0.924 2.874 1.00 0.00 C ATOM 190 SG CYS A 14 -16.314 -2.652 2.900 1.00 0.00 S ATOM 0 H CYS A 14 -14.450 -0.422 1.215 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.946 1.003 3.341 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.524 -0.735 3.729 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.468 -0.743 1.978 1.00 0.00 H new ATOM 195 N ALA A 15 -14.871 -1.143 4.863 1.00 0.00 N ATOM 196 CA ALA A 15 -13.810 -1.706 5.743 1.00 0.00 C ATOM 197 C ALA A 15 -13.397 -3.092 5.242 1.00 0.00 C ATOM 198 O ALA A 15 -13.220 -4.013 6.013 1.00 0.00 O ATOM 199 CB ALA A 15 -14.456 -1.807 7.125 1.00 0.00 C ATOM 0 H ALA A 15 -15.828 -1.295 5.183 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.911 -1.089 5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.736 -2.215 7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.768 -0.816 7.454 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.325 -2.462 7.073 1.00 0.00 H new ATOM 205 N ALA A 16 -13.249 -3.250 3.953 1.00 0.00 N ATOM 206 CA ALA A 16 -12.854 -4.581 3.412 1.00 0.00 C ATOM 207 C ALA A 16 -11.959 -4.426 2.179 1.00 0.00 C ATOM 208 O ALA A 16 -11.051 -5.200 1.968 1.00 0.00 O ATOM 209 CB ALA A 16 -14.171 -5.261 3.032 1.00 0.00 C ATOM 0 H ALA A 16 -13.384 -2.518 3.255 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.284 -5.160 4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.965 -6.250 2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.799 -5.357 3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.688 -4.660 2.284 1.00 0.00 H new ATOM 215 N CYS A 17 -12.211 -3.449 1.351 1.00 0.00 N ATOM 216 CA CYS A 17 -11.365 -3.289 0.131 1.00 0.00 C ATOM 217 C CYS A 17 -10.151 -2.382 0.394 1.00 0.00 C ATOM 218 O CYS A 17 -9.055 -2.717 -0.008 1.00 0.00 O ATOM 219 CB CYS A 17 -12.291 -2.698 -0.937 1.00 0.00 C ATOM 220 SG CYS A 17 -13.856 -3.609 -0.947 1.00 0.00 S ATOM 0 H CYS A 17 -12.956 -2.762 1.463 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.946 -4.243 -0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -12.473 -1.643 -0.733 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -11.817 -2.756 -1.917 1.00 0.00 H new ATOM 225 N PRO A 18 -10.352 -1.273 1.070 1.00 0.00 N ATOM 226 CA PRO A 18 -9.219 -0.369 1.373 1.00 0.00 C ATOM 227 C PRO A 18 -8.409 -0.995 2.508 1.00 0.00 C ATOM 228 O PRO A 18 -7.200 -1.045 2.475 1.00 0.00 O ATOM 229 CB PRO A 18 -9.928 0.903 1.810 1.00 0.00 C ATOM 230 CG PRO A 18 -11.393 0.547 2.125 1.00 0.00 C ATOM 231 CD PRO A 18 -11.682 -0.856 1.571 1.00 0.00 C ATOM 0 HA PRO A 18 -8.523 -0.187 0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.442 1.328 2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.879 1.656 1.023 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.566 0.573 3.201 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.066 1.278 1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.056 -1.529 2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.428 -0.835 0.777 1.00 0.00 H new ATOM 239 N ILE A 19 -9.090 -1.493 3.504 1.00 0.00 N ATOM 240 CA ILE A 19 -8.397 -2.173 4.639 1.00 0.00 C ATOM 241 C ILE A 19 -7.516 -3.311 4.099 1.00 0.00 C ATOM 242 O ILE A 19 -6.423 -3.561 4.576 1.00 0.00 O ATOM 243 CB ILE A 19 -9.551 -2.736 5.478 1.00 0.00 C ATOM 244 CG1 ILE A 19 -9.161 -2.762 6.958 1.00 0.00 C ATOM 245 CG2 ILE A 19 -9.914 -4.158 5.026 1.00 0.00 C ATOM 246 CD1 ILE A 19 -10.245 -3.485 7.761 1.00 0.00 C ATOM 0 H ILE A 19 -10.106 -1.458 3.582 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.745 -1.512 5.211 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.417 -2.089 5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.203 -3.267 7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.036 -1.745 7.330 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.735 -4.535 5.636 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.218 -4.141 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.047 -4.809 5.141 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.966 -3.503 8.815 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.194 -2.961 7.646 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.348 -4.507 7.396 1.00 0.00 H new ATOM 258 N THR A 20 -8.001 -4.004 3.101 1.00 0.00 N ATOM 259 CA THR A 20 -7.216 -5.126 2.512 1.00 0.00 C ATOM 260 C THR A 20 -5.938 -4.566 1.924 1.00 0.00 C ATOM 261 O THR A 20 -4.944 -5.249 1.779 1.00 0.00 O ATOM 262 CB THR A 20 -8.089 -5.708 1.398 1.00 0.00 C ATOM 263 OG1 THR A 20 -9.138 -6.476 1.971 1.00 0.00 O ATOM 264 CG2 THR A 20 -7.232 -6.606 0.504 1.00 0.00 C ATOM 0 H THR A 20 -8.910 -3.839 2.668 1.00 0.00 H new ATOM 0 HA THR A 20 -6.957 -5.885 3.250 1.00 0.00 H new ATOM 0 HB THR A 20 -8.514 -4.898 0.805 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.002 -6.092 1.715 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.850 -7.023 -0.291 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.424 -6.019 0.066 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.811 -7.416 1.099 1.00 0.00 H new ATOM 272 N VAL A 21 -5.962 -3.313 1.595 1.00 0.00 N ATOM 273 CA VAL A 21 -4.754 -2.684 1.026 1.00 0.00 C ATOM 274 C VAL A 21 -3.708 -2.592 2.122 1.00 0.00 C ATOM 275 O VAL A 21 -2.524 -2.694 1.881 1.00 0.00 O ATOM 276 CB VAL A 21 -5.178 -1.289 0.566 1.00 0.00 C ATOM 277 CG1 VAL A 21 -4.016 -0.623 -0.173 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.382 -1.402 -0.371 1.00 0.00 C ATOM 0 H VAL A 21 -6.769 -2.697 1.696 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.334 -3.249 0.193 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.451 -0.688 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.316 0.372 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.159 -0.541 0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.743 -1.225 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.683 -0.407 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.112 -2.003 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.210 -1.877 0.156 1.00 0.00 H new ATOM 288 N LYS A 22 -4.152 -2.427 3.337 1.00 0.00 N ATOM 289 CA LYS A 22 -3.201 -2.353 4.467 1.00 0.00 C ATOM 290 C LYS A 22 -2.557 -3.713 4.631 1.00 0.00 C ATOM 291 O LYS A 22 -1.368 -3.837 4.850 1.00 0.00 O ATOM 292 CB LYS A 22 -4.047 -2.017 5.695 1.00 0.00 C ATOM 293 CG LYS A 22 -3.185 -2.119 6.954 1.00 0.00 C ATOM 294 CD LYS A 22 -3.300 -0.825 7.764 1.00 0.00 C ATOM 295 CE LYS A 22 -2.398 -0.917 8.997 1.00 0.00 C ATOM 296 NZ LYS A 22 -3.145 -0.212 10.076 1.00 0.00 N ATOM 0 H LYS A 22 -5.136 -2.341 3.591 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.416 -1.611 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.457 -1.011 5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.893 -2.701 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.506 -2.967 7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.145 -2.297 6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.011 0.028 7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.334 -0.663 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.202 -1.955 9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.431 -0.447 8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.589 -0.233 10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.311 0.776 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.058 -0.685 10.233 1.00 0.00 H new ATOM 310 N LYS A 23 -3.344 -4.742 4.515 1.00 0.00 N ATOM 311 CA LYS A 23 -2.787 -6.104 4.652 1.00 0.00 C ATOM 312 C LYS A 23 -1.859 -6.392 3.476 1.00 0.00 C ATOM 313 O LYS A 23 -0.961 -7.203 3.557 1.00 0.00 O ATOM 314 CB LYS A 23 -3.998 -7.038 4.639 1.00 0.00 C ATOM 315 CG LYS A 23 -3.539 -8.476 4.886 1.00 0.00 C ATOM 316 CD LYS A 23 -3.205 -9.143 3.550 1.00 0.00 C ATOM 317 CE LYS A 23 -3.341 -10.662 3.688 1.00 0.00 C ATOM 318 NZ LYS A 23 -1.987 -11.200 3.373 1.00 0.00 N ATOM 0 H LYS A 23 -4.346 -4.695 4.332 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.202 -6.232 5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.711 -6.736 5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.513 -6.969 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.664 -8.483 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.322 -9.036 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.874 -8.777 2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.191 -8.884 3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.652 -10.941 4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.091 -11.055 3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.000 -12.237 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.720 -10.925 2.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.295 -10.814 4.046 1.00 0.00 H new ATOM 332 N ALA A 24 -2.079 -5.721 2.386 1.00 0.00 N ATOM 333 CA ALA A 24 -1.232 -5.930 1.184 1.00 0.00 C ATOM 334 C ALA A 24 0.173 -5.364 1.407 1.00 0.00 C ATOM 335 O ALA A 24 1.159 -6.055 1.251 1.00 0.00 O ATOM 336 CB ALA A 24 -1.944 -5.175 0.062 1.00 0.00 C ATOM 0 H ALA A 24 -2.819 -5.028 2.274 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.107 -6.988 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.379 -5.281 -0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.944 -5.585 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.017 -4.119 0.323 1.00 0.00 H new ATOM 342 N LEU A 25 0.277 -4.111 1.768 1.00 0.00 N ATOM 343 CA LEU A 25 1.628 -3.514 1.995 1.00 0.00 C ATOM 344 C LEU A 25 2.354 -4.281 3.097 1.00 0.00 C ATOM 345 O LEU A 25 3.554 -4.468 3.055 1.00 0.00 O ATOM 346 CB LEU A 25 1.380 -2.075 2.444 1.00 0.00 C ATOM 347 CG LEU A 25 0.352 -1.412 1.534 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.802 -0.908 2.393 1.00 0.00 C ATOM 349 CD2 LEU A 25 1.001 -0.234 0.803 1.00 0.00 C ATOM 0 H LEU A 25 -0.510 -3.478 1.915 1.00 0.00 H new ATOM 0 HA LEU A 25 2.243 -3.556 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.026 -2.063 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.314 -1.513 2.421 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.015 -2.128 0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.547 -0.430 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.258 -1.747 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.427 -0.186 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.266 0.240 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.362 0.492 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.837 -0.594 0.204 1.00 0.00 H new ATOM 361 N SER A 26 1.630 -4.727 4.083 1.00 0.00 N ATOM 362 CA SER A 26 2.268 -5.485 5.190 1.00 0.00 C ATOM 363 C SER A 26 2.659 -6.871 4.691 1.00 0.00 C ATOM 364 O SER A 26 3.532 -7.516 5.235 1.00 0.00 O ATOM 365 CB SER A 26 1.198 -5.581 6.276 1.00 0.00 C ATOM 366 OG SER A 26 1.761 -5.197 7.524 1.00 0.00 O ATOM 0 H SER A 26 0.622 -4.599 4.169 1.00 0.00 H new ATOM 0 HA SER A 26 3.173 -5.006 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.355 -4.936 6.030 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.813 -6.599 6.335 1.00 0.00 H new ATOM 0 HG SER A 26 1.077 -5.256 8.223 1.00 0.00 H new ATOM 372 N LYS A 27 2.020 -7.333 3.651 1.00 0.00 N ATOM 373 CA LYS A 27 2.362 -8.672 3.116 1.00 0.00 C ATOM 374 C LYS A 27 3.259 -8.527 1.882 1.00 0.00 C ATOM 375 O LYS A 27 3.748 -9.498 1.339 1.00 0.00 O ATOM 376 CB LYS A 27 1.008 -9.313 2.770 1.00 0.00 C ATOM 377 CG LYS A 27 1.121 -10.172 1.506 1.00 0.00 C ATOM 378 CD LYS A 27 1.093 -9.264 0.274 1.00 0.00 C ATOM 379 CE LYS A 27 -0.176 -9.534 -0.536 1.00 0.00 C ATOM 380 NZ LYS A 27 0.128 -9.031 -1.905 1.00 0.00 N ATOM 0 H LYS A 27 1.279 -6.840 3.153 1.00 0.00 H new ATOM 0 HA LYS A 27 2.918 -9.287 3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.668 -9.927 3.604 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.259 -8.535 2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.046 -10.749 1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.300 -10.887 1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.125 -8.218 0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.974 -9.443 -0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.417 -10.597 -0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.035 -9.018 -0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.696 -9.181 -2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.347 -8.015 -1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.946 -9.545 -2.290 1.00 0.00 H new ATOM 394 N VAL A 28 3.478 -7.323 1.439 1.00 0.00 N ATOM 395 CA VAL A 28 4.342 -7.117 0.245 1.00 0.00 C ATOM 396 C VAL A 28 5.620 -7.948 0.384 1.00 0.00 C ATOM 397 O VAL A 28 5.739 -9.022 -0.171 1.00 0.00 O ATOM 398 CB VAL A 28 4.651 -5.615 0.244 1.00 0.00 C ATOM 399 CG1 VAL A 28 5.964 -5.345 -0.498 1.00 0.00 C ATOM 400 CG2 VAL A 28 3.516 -4.865 -0.456 1.00 0.00 C ATOM 0 H VAL A 28 3.096 -6.472 1.852 1.00 0.00 H new ATOM 0 HA VAL A 28 3.867 -7.428 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 28 4.746 -5.272 1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.172 -4.275 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.777 -5.876 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.878 -5.692 -1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.733 -3.797 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.425 -5.219 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.580 -5.044 0.074 1.00 0.00 H new ATOM 410 N GLU A 29 6.578 -7.454 1.119 1.00 0.00 N ATOM 411 CA GLU A 29 7.850 -8.202 1.298 1.00 0.00 C ATOM 412 C GLU A 29 8.883 -7.299 1.986 1.00 0.00 C ATOM 413 O GLU A 29 9.563 -7.705 2.907 1.00 0.00 O ATOM 414 CB GLU A 29 8.288 -8.573 -0.128 1.00 0.00 C ATOM 415 CG GLU A 29 9.814 -8.562 -0.232 1.00 0.00 C ATOM 416 CD GLU A 29 10.252 -9.329 -1.480 1.00 0.00 C ATOM 417 OE1 GLU A 29 9.537 -9.274 -2.467 1.00 0.00 O ATOM 418 OE2 GLU A 29 11.296 -9.958 -1.429 1.00 0.00 O ATOM 0 H GLU A 29 6.532 -6.559 1.605 1.00 0.00 H new ATOM 0 HA GLU A 29 7.743 -9.088 1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.906 -9.560 -0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.863 -7.868 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.177 -7.535 -0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.252 -9.015 0.657 1.00 0.00 H new ATOM 425 N GLY A 30 9.010 -6.079 1.536 1.00 0.00 N ATOM 426 CA GLY A 30 10.003 -5.159 2.157 1.00 0.00 C ATOM 427 C GLY A 30 9.293 -4.136 3.039 1.00 0.00 C ATOM 428 O GLY A 30 9.889 -3.555 3.924 1.00 0.00 O ATOM 0 H GLY A 30 8.470 -5.682 0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.717 -5.730 2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.572 -4.648 1.380 1.00 0.00 H new ATOM 432 N VAL A 31 8.029 -3.913 2.812 1.00 0.00 N ATOM 433 CA VAL A 31 7.288 -2.930 3.649 1.00 0.00 C ATOM 434 C VAL A 31 7.681 -3.098 5.112 1.00 0.00 C ATOM 435 O VAL A 31 7.607 -4.173 5.673 1.00 0.00 O ATOM 436 CB VAL A 31 5.809 -3.255 3.442 1.00 0.00 C ATOM 437 CG1 VAL A 31 4.962 -2.392 4.381 1.00 0.00 C ATOM 438 CG2 VAL A 31 5.423 -2.955 1.992 1.00 0.00 C ATOM 0 H VAL A 31 7.478 -4.368 2.084 1.00 0.00 H new ATOM 0 HA VAL A 31 7.510 -1.899 3.374 1.00 0.00 H new ATOM 0 HB VAL A 31 5.633 -4.309 3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.907 -2.623 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.239 -2.600 5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.137 -1.338 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.368 -3.186 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.598 -1.900 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.028 -3.565 1.321 1.00 0.00 H new ATOM 448 N SER A 32 8.087 -2.034 5.734 1.00 0.00 N ATOM 449 CA SER A 32 8.478 -2.102 7.162 1.00 0.00 C ATOM 450 C SER A 32 7.472 -1.300 7.972 1.00 0.00 C ATOM 451 O SER A 32 7.450 -1.339 9.186 1.00 0.00 O ATOM 452 CB SER A 32 9.867 -1.467 7.232 1.00 0.00 C ATOM 453 OG SER A 32 10.854 -2.481 7.095 1.00 0.00 O ATOM 0 H SER A 32 8.166 -1.110 5.309 1.00 0.00 H new ATOM 0 HA SER A 32 8.495 -3.118 7.557 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.980 -0.724 6.442 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.994 -0.946 8.181 1.00 0.00 H new ATOM 0 HG SER A 32 11.461 -2.249 6.362 1.00 0.00 H new ATOM 459 N LYS A 33 6.629 -0.575 7.293 1.00 0.00 N ATOM 460 CA LYS A 33 5.609 0.231 8.001 1.00 0.00 C ATOM 461 C LYS A 33 4.342 0.325 7.159 1.00 0.00 C ATOM 462 O LYS A 33 4.372 0.176 5.952 1.00 0.00 O ATOM 463 CB LYS A 33 6.237 1.603 8.174 1.00 0.00 C ATOM 464 CG LYS A 33 5.907 2.119 9.562 1.00 0.00 C ATOM 465 CD LYS A 33 7.124 2.840 10.148 1.00 0.00 C ATOM 466 CE LYS A 33 6.977 2.939 11.668 1.00 0.00 C ATOM 467 NZ LYS A 33 6.909 4.399 11.954 1.00 0.00 N ATOM 0 H LYS A 33 6.606 -0.509 6.275 1.00 0.00 H new ATOM 0 HA LYS A 33 5.326 -0.208 8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.317 1.543 8.040 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.859 2.289 7.416 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.057 2.800 9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.617 1.291 10.209 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.036 2.300 9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.213 3.836 9.715 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.078 2.427 12.012 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.822 2.476 12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.808 4.548 12.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.781 4.859 11.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.091 4.811 11.462 1.00 0.00 H new ATOM 481 N VAL A 34 3.231 0.567 7.787 1.00 0.00 N ATOM 482 CA VAL A 34 1.956 0.660 7.029 1.00 0.00 C ATOM 483 C VAL A 34 0.935 1.522 7.776 1.00 0.00 C ATOM 484 O VAL A 34 0.661 1.320 8.942 1.00 0.00 O ATOM 485 CB VAL A 34 1.463 -0.781 6.930 1.00 0.00 C ATOM 486 CG1 VAL A 34 1.367 -1.384 8.333 1.00 0.00 C ATOM 487 CG2 VAL A 34 0.083 -0.804 6.270 1.00 0.00 C ATOM 0 H VAL A 34 3.149 0.705 8.794 1.00 0.00 H new ATOM 0 HA VAL A 34 2.094 1.124 6.053 1.00 0.00 H new ATOM 0 HB VAL A 34 2.162 -1.364 6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.015 -2.413 8.263 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.350 -1.368 8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.668 -0.801 8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.269 -1.833 6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.617 -0.221 6.869 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.150 -0.374 5.271 1.00 0.00 H new ATOM 497 N ASP A 35 0.358 2.467 7.093 1.00 0.00 N ATOM 498 CA ASP A 35 -0.667 3.347 7.718 1.00 0.00 C ATOM 499 C ASP A 35 -1.631 3.793 6.624 1.00 0.00 C ATOM 500 O ASP A 35 -1.415 4.788 5.963 1.00 0.00 O ATOM 501 CB ASP A 35 0.107 4.537 8.288 1.00 0.00 C ATOM 502 CG ASP A 35 0.217 4.394 9.808 1.00 0.00 C ATOM 503 OD1 ASP A 35 0.061 3.285 10.291 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.454 5.396 10.462 1.00 0.00 O ATOM 0 H ASP A 35 0.555 2.671 6.113 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.243 2.856 8.502 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.101 4.584 7.844 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.400 5.469 8.035 1.00 0.00 H new ATOM 509 N VAL A 36 -2.671 3.043 6.398 1.00 0.00 N ATOM 510 CA VAL A 36 -3.617 3.406 5.308 1.00 0.00 C ATOM 511 C VAL A 36 -4.939 3.920 5.865 1.00 0.00 C ATOM 512 O VAL A 36 -5.043 4.322 7.007 1.00 0.00 O ATOM 513 CB VAL A 36 -3.844 2.100 4.528 1.00 0.00 C ATOM 514 CG1 VAL A 36 -2.521 1.345 4.382 1.00 0.00 C ATOM 515 CG2 VAL A 36 -4.848 1.209 5.267 1.00 0.00 C ATOM 0 H VAL A 36 -2.907 2.198 6.918 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.216 4.205 4.684 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.237 2.349 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.689 0.421 3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.805 1.966 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.125 1.110 5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.000 0.288 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.462 0.970 6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.798 1.735 5.365 1.00 0.00 H new ATOM 525 N GLY A 37 -5.953 3.892 5.051 1.00 0.00 N ATOM 526 CA GLY A 37 -7.289 4.354 5.488 1.00 0.00 C ATOM 527 C GLY A 37 -8.341 3.476 4.818 1.00 0.00 C ATOM 528 O GLY A 37 -8.534 3.535 3.615 1.00 0.00 O ATOM 0 H GLY A 37 -5.908 3.563 4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.377 4.291 6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.437 5.399 5.216 1.00 0.00 H new ATOM 532 N PHE A 38 -9.003 2.648 5.588 1.00 0.00 N ATOM 533 CA PHE A 38 -10.039 1.745 5.028 1.00 0.00 C ATOM 534 C PHE A 38 -11.055 2.557 4.211 1.00 0.00 C ATOM 535 O PHE A 38 -10.823 2.877 3.072 1.00 0.00 O ATOM 536 CB PHE A 38 -10.693 1.101 6.257 1.00 0.00 C ATOM 537 CG PHE A 38 -9.633 0.509 7.165 1.00 0.00 C ATOM 538 CD1 PHE A 38 -8.313 0.351 6.714 1.00 0.00 C ATOM 539 CD2 PHE A 38 -9.976 0.123 8.467 1.00 0.00 C ATOM 540 CE1 PHE A 38 -7.343 -0.192 7.566 1.00 0.00 C ATOM 541 CE2 PHE A 38 -9.005 -0.419 9.316 1.00 0.00 C ATOM 542 CZ PHE A 38 -7.689 -0.577 8.867 1.00 0.00 C ATOM 0 H PHE A 38 -8.863 2.563 6.595 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.631 0.994 4.351 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -11.274 1.846 6.801 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -11.388 0.323 5.942 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.046 0.648 5.711 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.991 0.244 8.816 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.327 -0.314 7.219 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.272 -0.716 10.320 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.941 -0.996 9.524 1.00 0.00 H new ATOM 552 N GLU A 39 -12.180 2.889 4.777 1.00 0.00 N ATOM 553 CA GLU A 39 -13.201 3.676 4.020 1.00 0.00 C ATOM 554 C GLU A 39 -12.605 4.976 3.445 1.00 0.00 C ATOM 555 O GLU A 39 -13.219 5.632 2.627 1.00 0.00 O ATOM 556 CB GLU A 39 -14.284 3.999 5.049 1.00 0.00 C ATOM 557 CG GLU A 39 -15.294 2.851 5.105 1.00 0.00 C ATOM 558 CD GLU A 39 -16.599 3.287 4.439 1.00 0.00 C ATOM 559 OE1 GLU A 39 -17.385 3.948 5.097 1.00 0.00 O ATOM 560 OE2 GLU A 39 -16.791 2.953 3.281 1.00 0.00 O ATOM 0 H GLU A 39 -12.441 2.650 5.734 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.583 3.117 3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.834 4.150 6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -14.788 4.928 4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.891 1.973 4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.479 2.566 6.141 1.00 0.00 H new ATOM 567 N LYS A 40 -11.429 5.365 3.870 1.00 0.00 N ATOM 568 CA LYS A 40 -10.824 6.631 3.343 1.00 0.00 C ATOM 569 C LYS A 40 -10.144 6.393 1.984 1.00 0.00 C ATOM 570 O LYS A 40 -9.987 7.301 1.193 1.00 0.00 O ATOM 571 CB LYS A 40 -9.786 7.036 4.392 1.00 0.00 C ATOM 572 CG LYS A 40 -10.496 7.566 5.640 1.00 0.00 C ATOM 573 CD LYS A 40 -10.292 6.590 6.802 1.00 0.00 C ATOM 574 CE LYS A 40 -11.405 6.782 7.836 1.00 0.00 C ATOM 575 NZ LYS A 40 -10.874 6.187 9.095 1.00 0.00 N ATOM 0 H LYS A 40 -10.863 4.865 4.555 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.577 7.403 3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.164 6.180 4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.123 7.800 3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.104 8.548 5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.560 7.691 5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.297 5.564 6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.319 6.758 7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.642 7.838 7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.324 6.286 7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.583 6.282 9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.664 5.180 8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.004 6.683 9.373 1.00 0.00 H new ATOM 589 N ARG A 41 -9.738 5.180 1.722 1.00 0.00 N ATOM 590 CA ARG A 41 -9.059 4.849 0.430 1.00 0.00 C ATOM 591 C ARG A 41 -7.684 5.506 0.361 1.00 0.00 C ATOM 592 O ARG A 41 -7.427 6.343 -0.479 1.00 0.00 O ATOM 593 CB ARG A 41 -9.962 5.396 -0.673 1.00 0.00 C ATOM 594 CG ARG A 41 -9.523 4.822 -2.028 1.00 0.00 C ATOM 595 CD ARG A 41 -8.802 5.888 -2.863 1.00 0.00 C ATOM 596 NE ARG A 41 -9.628 7.120 -2.730 1.00 0.00 N ATOM 597 CZ ARG A 41 -9.153 8.271 -3.121 1.00 0.00 C ATOM 598 NH1 ARG A 41 -7.948 8.348 -3.622 1.00 0.00 N ATOM 599 NH2 ARG A 41 -9.879 9.349 -3.006 1.00 0.00 N ATOM 0 H ARG A 41 -9.849 4.390 2.357 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.906 3.775 0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.000 5.130 -0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.910 6.485 -0.693 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.863 3.969 -1.870 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.393 4.455 -2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.788 6.053 -2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.720 5.581 -3.906 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.566 7.064 -2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.377 7.507 -3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.579 9.249 -3.927 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.818 9.292 -2.611 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.508 10.249 -3.311 1.00 0.00 H new ATOM 613 N GLU A 42 -6.793 5.137 1.233 1.00 0.00 N ATOM 614 CA GLU A 42 -5.430 5.757 1.185 1.00 0.00 C ATOM 615 C GLU A 42 -4.410 4.916 1.961 1.00 0.00 C ATOM 616 O GLU A 42 -4.489 4.794 3.166 1.00 0.00 O ATOM 617 CB GLU A 42 -5.601 7.129 1.841 1.00 0.00 C ATOM 618 CG GLU A 42 -4.325 7.952 1.651 1.00 0.00 C ATOM 619 CD GLU A 42 -4.684 9.325 1.079 1.00 0.00 C ATOM 620 OE1 GLU A 42 -5.405 9.365 0.095 1.00 0.00 O ATOM 621 OE2 GLU A 42 -4.231 10.312 1.634 1.00 0.00 O ATOM 0 H GLU A 42 -6.938 4.445 1.968 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.054 5.827 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.451 7.650 1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.815 7.011 2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.808 8.067 2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.642 7.433 0.979 1.00 0.00 H new ATOM 628 N ALA A 43 -3.444 4.339 1.286 1.00 0.00 N ATOM 629 CA ALA A 43 -2.429 3.517 2.008 1.00 0.00 C ATOM 630 C ALA A 43 -1.057 4.194 1.975 1.00 0.00 C ATOM 631 O ALA A 43 -0.438 4.320 0.946 1.00 0.00 O ATOM 632 CB ALA A 43 -2.395 2.182 1.262 1.00 0.00 C ATOM 0 H ALA A 43 -3.317 4.402 0.276 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.682 3.389 3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.669 1.520 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.382 1.721 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.109 2.352 0.224 1.00 0.00 H new ATOM 638 N VAL A 44 -0.565 4.618 3.099 1.00 0.00 N ATOM 639 CA VAL A 44 0.771 5.272 3.118 1.00 0.00 C ATOM 640 C VAL A 44 1.738 4.398 3.901 1.00 0.00 C ATOM 641 O VAL A 44 1.500 4.079 5.047 1.00 0.00 O ATOM 642 CB VAL A 44 0.542 6.605 3.818 1.00 0.00 C ATOM 643 CG1 VAL A 44 1.869 7.354 3.947 1.00 0.00 C ATOM 644 CG2 VAL A 44 -0.444 7.442 3.004 1.00 0.00 C ATOM 0 H VAL A 44 -1.027 4.542 4.005 1.00 0.00 H new ATOM 0 HA VAL A 44 1.197 5.416 2.125 1.00 0.00 H new ATOM 0 HB VAL A 44 0.133 6.427 4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.701 8.307 4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.569 6.756 4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.283 7.534 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.610 8.397 3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.036 7.619 2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.391 6.908 2.919 1.00 0.00 H new ATOM 654 N VAL A 45 2.812 3.976 3.297 1.00 0.00 N ATOM 655 CA VAL A 45 3.742 3.082 4.051 1.00 0.00 C ATOM 656 C VAL A 45 5.217 3.418 3.850 1.00 0.00 C ATOM 657 O VAL A 45 5.596 4.311 3.118 1.00 0.00 O ATOM 658 CB VAL A 45 3.485 1.680 3.498 1.00 0.00 C ATOM 659 CG1 VAL A 45 2.017 1.301 3.682 1.00 0.00 C ATOM 660 CG2 VAL A 45 3.843 1.638 2.009 1.00 0.00 C ATOM 0 H VAL A 45 3.085 4.201 2.340 1.00 0.00 H new ATOM 0 HA VAL A 45 3.554 3.187 5.119 1.00 0.00 H new ATOM 0 HB VAL A 45 4.106 0.968 4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.847 0.301 3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.767 1.317 4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.388 2.015 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.659 0.637 1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.230 2.358 1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.896 1.889 1.881 1.00 0.00 H new ATOM 670 N THR A 46 6.040 2.640 4.495 1.00 0.00 N ATOM 671 CA THR A 46 7.517 2.775 4.392 1.00 0.00 C ATOM 672 C THR A 46 8.045 1.395 4.036 1.00 0.00 C ATOM 673 O THR A 46 7.376 0.408 4.267 1.00 0.00 O ATOM 674 CB THR A 46 7.985 3.179 5.794 1.00 0.00 C ATOM 675 OG1 THR A 46 7.807 4.575 5.983 1.00 0.00 O ATOM 676 CG2 THR A 46 9.463 2.822 5.963 1.00 0.00 C ATOM 0 H THR A 46 5.735 1.888 5.113 1.00 0.00 H new ATOM 0 HA THR A 46 7.853 3.501 3.652 1.00 0.00 H new ATOM 0 HB THR A 46 7.394 2.642 6.536 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.107 4.824 6.882 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.795 3.110 6.961 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.595 1.748 5.832 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.053 3.354 5.217 1.00 0.00 H new ATOM 684 N PHE A 47 9.210 1.289 3.479 1.00 0.00 N ATOM 685 CA PHE A 47 9.701 -0.068 3.137 1.00 0.00 C ATOM 686 C PHE A 47 11.145 -0.028 2.692 1.00 0.00 C ATOM 687 O PHE A 47 11.749 1.016 2.594 1.00 0.00 O ATOM 688 CB PHE A 47 8.814 -0.533 1.985 1.00 0.00 C ATOM 689 CG PHE A 47 9.072 0.327 0.772 1.00 0.00 C ATOM 690 CD1 PHE A 47 10.183 0.082 -0.053 1.00 0.00 C ATOM 691 CD2 PHE A 47 8.194 1.373 0.469 1.00 0.00 C ATOM 692 CE1 PHE A 47 10.407 0.885 -1.174 1.00 0.00 C ATOM 693 CE2 PHE A 47 8.419 2.174 -0.654 1.00 0.00 C ATOM 694 CZ PHE A 47 9.524 1.930 -1.475 1.00 0.00 C ATOM 0 H PHE A 47 9.833 2.063 3.249 1.00 0.00 H new ATOM 0 HA PHE A 47 9.656 -0.737 3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.019 -1.578 1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.764 -0.470 2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.862 -0.725 0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.341 1.562 1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.261 0.700 -1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.740 2.981 -0.887 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.697 2.549 -2.343 1.00 0.00 H new ATOM 704 N ASP A 48 11.684 -1.167 2.388 1.00 0.00 N ATOM 705 CA ASP A 48 13.083 -1.226 1.910 1.00 0.00 C ATOM 706 C ASP A 48 13.051 -1.536 0.418 1.00 0.00 C ATOM 707 O ASP A 48 12.545 -2.557 -0.004 1.00 0.00 O ATOM 708 CB ASP A 48 13.732 -2.364 2.698 1.00 0.00 C ATOM 709 CG ASP A 48 13.644 -2.061 4.195 1.00 0.00 C ATOM 710 OD1 ASP A 48 12.698 -1.401 4.591 1.00 0.00 O ATOM 711 OD2 ASP A 48 14.525 -2.494 4.920 1.00 0.00 O ATOM 0 H ASP A 48 11.210 -2.068 2.451 1.00 0.00 H new ATOM 0 HA ASP A 48 13.637 -0.298 2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.231 -3.306 2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.774 -2.479 2.400 1.00 0.00 H new ATOM 716 N ASP A 49 13.546 -0.645 -0.390 1.00 0.00 N ATOM 717 CA ASP A 49 13.491 -0.880 -1.859 1.00 0.00 C ATOM 718 C ASP A 49 14.314 -2.119 -2.249 1.00 0.00 C ATOM 719 O ASP A 49 14.275 -2.568 -3.378 1.00 0.00 O ATOM 720 CB ASP A 49 14.039 0.416 -2.490 1.00 0.00 C ATOM 721 CG ASP A 49 15.407 0.180 -3.144 1.00 0.00 C ATOM 722 OD1 ASP A 49 15.463 -0.587 -4.092 1.00 0.00 O ATOM 723 OD2 ASP A 49 16.372 0.770 -2.686 1.00 0.00 O ATOM 0 H ASP A 49 13.984 0.230 -0.102 1.00 0.00 H new ATOM 0 HA ASP A 49 12.481 -1.090 -2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.336 0.786 -3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.127 1.187 -1.725 1.00 0.00 H new ATOM 728 N THR A 50 15.059 -2.670 -1.332 1.00 0.00 N ATOM 729 CA THR A 50 15.880 -3.872 -1.666 1.00 0.00 C ATOM 730 C THR A 50 14.990 -5.116 -1.795 1.00 0.00 C ATOM 731 O THR A 50 15.320 -6.052 -2.496 1.00 0.00 O ATOM 732 CB THR A 50 16.857 -4.026 -0.498 1.00 0.00 C ATOM 733 OG1 THR A 50 17.617 -5.214 -0.669 1.00 0.00 O ATOM 734 CG2 THR A 50 16.080 -4.103 0.816 1.00 0.00 C ATOM 0 H THR A 50 15.136 -2.343 -0.369 1.00 0.00 H new ATOM 0 HA THR A 50 16.398 -3.760 -2.618 1.00 0.00 H new ATOM 0 HB THR A 50 17.526 -3.166 -0.472 1.00 0.00 H new ATOM 0 HG1 THR A 50 18.244 -5.312 0.078 1.00 0.00 H new ATOM 0 HG21 THR A 50 16.778 -4.213 1.646 1.00 0.00 H new ATOM 0 HG22 THR A 50 15.499 -3.191 0.949 1.00 0.00 H new ATOM 0 HG23 THR A 50 15.408 -4.961 0.792 1.00 0.00 H new ATOM 742 N LYS A 51 13.867 -5.137 -1.126 1.00 0.00 N ATOM 743 CA LYS A 51 12.969 -6.328 -1.219 1.00 0.00 C ATOM 744 C LYS A 51 11.588 -5.919 -1.739 1.00 0.00 C ATOM 745 O LYS A 51 10.785 -6.745 -2.125 1.00 0.00 O ATOM 746 CB LYS A 51 12.871 -6.864 0.210 1.00 0.00 C ATOM 747 CG LYS A 51 13.845 -8.031 0.387 1.00 0.00 C ATOM 748 CD LYS A 51 13.128 -9.194 1.075 1.00 0.00 C ATOM 749 CE LYS A 51 12.786 -8.802 2.514 1.00 0.00 C ATOM 750 NZ LYS A 51 14.046 -9.015 3.279 1.00 0.00 N ATOM 0 H LYS A 51 13.533 -4.386 -0.522 1.00 0.00 H new ATOM 0 HA LYS A 51 13.353 -7.078 -1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.102 -6.073 0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.852 -7.192 0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.229 -8.349 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.703 -7.716 0.981 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.219 -9.448 0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.762 -10.081 1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.458 -7.764 2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.976 -9.415 2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.848 -9.595 4.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.740 -9.503 2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.431 -8.096 3.576 1.00 0.00 H new ATOM 764 N ALA A 52 11.318 -4.648 -1.759 1.00 0.00 N ATOM 765 CA ALA A 52 9.999 -4.161 -2.259 1.00 0.00 C ATOM 766 C ALA A 52 10.176 -2.794 -2.912 1.00 0.00 C ATOM 767 O ALA A 52 11.278 -2.375 -3.203 1.00 0.00 O ATOM 768 CB ALA A 52 9.109 -4.051 -1.021 1.00 0.00 C ATOM 0 H ALA A 52 11.957 -3.916 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 52 9.565 -4.828 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.120 -3.697 -1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.019 -5.030 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.552 -3.348 -0.316 1.00 0.00 H new ATOM 774 N SER A 53 9.107 -2.095 -3.147 1.00 0.00 N ATOM 775 CA SER A 53 9.233 -0.756 -3.782 1.00 0.00 C ATOM 776 C SER A 53 7.860 -0.116 -3.978 1.00 0.00 C ATOM 777 O SER A 53 6.847 -0.782 -4.006 1.00 0.00 O ATOM 778 CB SER A 53 9.893 -1.022 -5.134 1.00 0.00 C ATOM 779 OG SER A 53 11.157 -0.372 -5.175 1.00 0.00 O ATOM 0 H SER A 53 8.155 -2.389 -2.929 1.00 0.00 H new ATOM 0 HA SER A 53 9.812 -0.068 -3.166 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.017 -2.094 -5.286 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.257 -0.657 -5.940 1.00 0.00 H new ATOM 0 HG SER A 53 11.749 -0.765 -4.500 1.00 0.00 H new ATOM 785 N VAL A 54 7.827 1.175 -4.121 1.00 0.00 N ATOM 786 CA VAL A 54 6.533 1.875 -4.334 1.00 0.00 C ATOM 787 C VAL A 54 5.687 1.101 -5.344 1.00 0.00 C ATOM 788 O VAL A 54 4.484 0.999 -5.213 1.00 0.00 O ATOM 789 CB VAL A 54 6.926 3.243 -4.890 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.669 3.066 -6.215 1.00 0.00 C ATOM 791 CG2 VAL A 54 5.671 4.077 -5.123 1.00 0.00 C ATOM 0 H VAL A 54 8.647 1.781 -4.099 1.00 0.00 H new ATOM 0 HA VAL A 54 5.940 1.960 -3.423 1.00 0.00 H new ATOM 0 HB VAL A 54 7.575 3.749 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.948 4.043 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.567 2.471 -6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.022 2.558 -6.930 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.951 5.053 -5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.023 3.568 -5.836 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.140 4.207 -4.180 1.00 0.00 H new ATOM 801 N GLN A 55 6.310 0.542 -6.344 1.00 0.00 N ATOM 802 CA GLN A 55 5.543 -0.239 -7.351 1.00 0.00 C ATOM 803 C GLN A 55 4.932 -1.469 -6.680 1.00 0.00 C ATOM 804 O GLN A 55 3.785 -1.801 -6.896 1.00 0.00 O ATOM 805 CB GLN A 55 6.576 -0.649 -8.402 1.00 0.00 C ATOM 806 CG GLN A 55 5.912 -0.715 -9.778 1.00 0.00 C ATOM 807 CD GLN A 55 6.491 0.379 -10.676 1.00 0.00 C ATOM 808 OE1 GLN A 55 5.774 1.243 -11.142 1.00 0.00 O ATOM 809 NE2 GLN A 55 7.768 0.378 -10.941 1.00 0.00 N ATOM 0 H GLN A 55 7.316 0.593 -6.506 1.00 0.00 H new ATOM 0 HA GLN A 55 4.724 0.328 -7.795 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.397 0.067 -8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.004 -1.619 -8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.077 -1.694 -10.227 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.834 -0.587 -9.680 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.369 -0.347 -10.550 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.165 1.102 -11.539 1.00 0.00 H new ATOM 818 N LYS A 56 5.696 -2.149 -5.868 1.00 0.00 N ATOM 819 CA LYS A 56 5.168 -3.358 -5.178 1.00 0.00 C ATOM 820 C LYS A 56 4.089 -2.980 -4.157 1.00 0.00 C ATOM 821 O LYS A 56 3.260 -3.793 -3.804 1.00 0.00 O ATOM 822 CB LYS A 56 6.376 -3.974 -4.477 1.00 0.00 C ATOM 823 CG LYS A 56 7.379 -4.462 -5.524 1.00 0.00 C ATOM 824 CD LYS A 56 8.292 -5.518 -4.901 1.00 0.00 C ATOM 825 CE LYS A 56 8.034 -6.870 -5.567 1.00 0.00 C ATOM 826 NZ LYS A 56 8.797 -7.852 -4.749 1.00 0.00 N ATOM 0 H LYS A 56 6.666 -1.917 -5.653 1.00 0.00 H new ATOM 0 HA LYS A 56 4.701 -4.051 -5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.845 -3.238 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.059 -4.805 -3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.852 -4.881 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.972 -3.625 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.336 -5.232 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.107 -5.587 -3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.970 -7.108 -5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.373 -6.871 -6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.739 -8.791 -5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.793 -7.557 -4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.393 -7.895 -3.792 1.00 0.00 H new ATOM 840 N LEU A 57 4.070 -1.759 -3.685 1.00 0.00 N ATOM 841 CA LEU A 57 3.011 -1.381 -2.707 1.00 0.00 C ATOM 842 C LEU A 57 1.692 -1.227 -3.460 1.00 0.00 C ATOM 843 O LEU A 57 0.723 -1.914 -3.196 1.00 0.00 O ATOM 844 CB LEU A 57 3.452 -0.045 -2.111 1.00 0.00 C ATOM 845 CG LEU A 57 4.902 -0.135 -1.626 1.00 0.00 C ATOM 846 CD1 LEU A 57 5.399 1.269 -1.311 1.00 0.00 C ATOM 847 CD2 LEU A 57 4.981 -0.996 -0.365 1.00 0.00 C ATOM 0 H LEU A 57 4.730 -1.021 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 57 2.871 -2.126 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.359 0.743 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.799 0.224 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 57 5.519 -0.588 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.431 1.220 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.347 1.884 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.775 1.710 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.016 -1.054 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.369 -0.550 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.615 -1.999 -0.586 1.00 0.00 H new ATOM 859 N THR A 58 1.664 -0.350 -4.425 1.00 0.00 N ATOM 860 CA THR A 58 0.431 -0.171 -5.230 1.00 0.00 C ATOM 861 C THR A 58 0.147 -1.478 -5.964 1.00 0.00 C ATOM 862 O THR A 58 -0.967 -1.758 -6.358 1.00 0.00 O ATOM 863 CB THR A 58 0.760 0.945 -6.222 1.00 0.00 C ATOM 864 OG1 THR A 58 1.639 1.879 -5.611 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.527 1.654 -6.644 1.00 0.00 C ATOM 0 H THR A 58 2.445 0.250 -4.689 1.00 0.00 H new ATOM 0 HA THR A 58 -0.445 0.081 -4.632 1.00 0.00 H new ATOM 0 HB THR A 58 1.240 0.516 -7.102 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.522 1.820 -6.031 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.289 2.449 -7.351 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.199 0.937 -7.116 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.011 2.082 -5.766 1.00 0.00 H new ATOM 873 N LYS A 59 1.158 -2.292 -6.130 1.00 0.00 N ATOM 874 CA LYS A 59 0.957 -3.594 -6.812 1.00 0.00 C ATOM 875 C LYS A 59 0.367 -4.583 -5.813 1.00 0.00 C ATOM 876 O LYS A 59 -0.345 -5.496 -6.176 1.00 0.00 O ATOM 877 CB LYS A 59 2.349 -4.042 -7.255 1.00 0.00 C ATOM 878 CG LYS A 59 2.273 -5.463 -7.817 1.00 0.00 C ATOM 879 CD LYS A 59 3.451 -5.705 -8.763 1.00 0.00 C ATOM 880 CE LYS A 59 2.985 -5.540 -10.212 1.00 0.00 C ATOM 881 NZ LYS A 59 4.130 -6.012 -11.040 1.00 0.00 N ATOM 0 H LYS A 59 2.112 -2.106 -5.821 1.00 0.00 H new ATOM 0 HA LYS A 59 0.278 -3.528 -7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.738 -3.361 -8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.039 -4.009 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.292 -6.188 -7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.332 -5.605 -8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.255 -5.002 -8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.853 -6.707 -8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.088 -6.127 -10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.740 -4.501 -10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.887 -5.930 -12.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.968 -5.430 -10.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.336 -7.006 -10.814 1.00 0.00 H new ATOM 895 N ALA A 60 0.650 -4.400 -4.548 1.00 0.00 N ATOM 896 CA ALA A 60 0.088 -5.328 -3.529 1.00 0.00 C ATOM 897 C ALA A 60 -1.423 -5.132 -3.447 1.00 0.00 C ATOM 898 O ALA A 60 -2.179 -6.082 -3.412 1.00 0.00 O ATOM 899 CB ALA A 60 0.763 -4.945 -2.212 1.00 0.00 C ATOM 0 H ALA A 60 1.241 -3.654 -4.182 1.00 0.00 H new ATOM 0 HA ALA A 60 0.267 -6.376 -3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.395 -5.590 -1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.842 -5.065 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.533 -3.906 -1.974 1.00 0.00 H new ATOM 905 N THR A 61 -1.875 -3.908 -3.453 1.00 0.00 N ATOM 906 CA THR A 61 -3.345 -3.678 -3.419 1.00 0.00 C ATOM 907 C THR A 61 -3.888 -4.018 -4.795 1.00 0.00 C ATOM 908 O THR A 61 -4.940 -4.610 -4.942 1.00 0.00 O ATOM 909 CB THR A 61 -3.518 -2.196 -3.109 1.00 0.00 C ATOM 910 OG1 THR A 61 -4.901 -1.900 -2.972 1.00 0.00 O ATOM 911 CG2 THR A 61 -2.920 -1.358 -4.239 1.00 0.00 C ATOM 0 H THR A 61 -1.298 -3.067 -3.480 1.00 0.00 H new ATOM 0 HA THR A 61 -3.871 -4.283 -2.680 1.00 0.00 H new ATOM 0 HB THR A 61 -3.003 -1.958 -2.178 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.154 -1.211 -3.621 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.046 -0.299 -4.013 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.858 -1.584 -4.337 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.429 -1.592 -5.174 1.00 0.00 H new ATOM 919 N ALA A 62 -3.142 -3.679 -5.809 1.00 0.00 N ATOM 920 CA ALA A 62 -3.578 -4.015 -7.182 1.00 0.00 C ATOM 921 C ALA A 62 -3.743 -5.529 -7.268 1.00 0.00 C ATOM 922 O ALA A 62 -4.538 -6.040 -8.031 1.00 0.00 O ATOM 923 CB ALA A 62 -2.450 -3.537 -8.095 1.00 0.00 C ATOM 0 H ALA A 62 -2.252 -3.185 -5.741 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.524 -3.552 -7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.705 -3.754 -9.132 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.313 -2.463 -7.972 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.526 -4.053 -7.833 1.00 0.00 H new ATOM 929 N ASP A 63 -3.003 -6.252 -6.463 1.00 0.00 N ATOM 930 CA ASP A 63 -3.127 -7.732 -6.471 1.00 0.00 C ATOM 931 C ASP A 63 -4.256 -8.143 -5.527 1.00 0.00 C ATOM 932 O ASP A 63 -4.851 -9.192 -5.673 1.00 0.00 O ATOM 933 CB ASP A 63 -1.781 -8.256 -5.971 1.00 0.00 C ATOM 934 CG ASP A 63 -1.217 -9.262 -6.976 1.00 0.00 C ATOM 935 OD1 ASP A 63 -0.783 -8.835 -8.033 1.00 0.00 O ATOM 936 OD2 ASP A 63 -1.231 -10.444 -6.671 1.00 0.00 O ATOM 0 H ASP A 63 -2.321 -5.876 -5.804 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.361 -8.131 -7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.084 -7.429 -5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.903 -8.729 -4.997 1.00 0.00 H new ATOM 941 N ALA A 64 -4.577 -7.306 -4.573 1.00 0.00 N ATOM 942 CA ALA A 64 -5.688 -7.637 -3.649 1.00 0.00 C ATOM 943 C ALA A 64 -7.002 -7.475 -4.405 1.00 0.00 C ATOM 944 O ALA A 64 -8.046 -7.924 -3.975 1.00 0.00 O ATOM 945 CB ALA A 64 -5.581 -6.620 -2.512 1.00 0.00 C ATOM 0 H ALA A 64 -4.116 -6.413 -4.399 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.644 -8.656 -3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.373 -6.802 -1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.611 -6.720 -2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.682 -5.612 -2.915 1.00 0.00 H new ATOM 951 N GLY A 65 -6.948 -6.827 -5.539 1.00 0.00 N ATOM 952 CA GLY A 65 -8.180 -6.624 -6.339 1.00 0.00 C ATOM 953 C GLY A 65 -8.590 -5.163 -6.244 1.00 0.00 C ATOM 954 O GLY A 65 -9.755 -4.828 -6.307 1.00 0.00 O ATOM 0 H GLY A 65 -6.099 -6.431 -5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.005 -6.900 -7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.980 -7.265 -5.969 1.00 0.00 H new ATOM 958 N TYR A 66 -7.634 -4.291 -6.084 1.00 0.00 N ATOM 959 CA TYR A 66 -7.956 -2.846 -5.965 1.00 0.00 C ATOM 960 C TYR A 66 -6.995 -2.010 -6.816 1.00 0.00 C ATOM 961 O TYR A 66 -5.919 -1.665 -6.370 1.00 0.00 O ATOM 962 CB TYR A 66 -7.772 -2.543 -4.476 1.00 0.00 C ATOM 963 CG TYR A 66 -8.670 -3.459 -3.679 1.00 0.00 C ATOM 964 CD1 TYR A 66 -9.996 -3.640 -4.082 1.00 0.00 C ATOM 965 CD2 TYR A 66 -8.184 -4.131 -2.546 1.00 0.00 C ATOM 966 CE1 TYR A 66 -10.841 -4.487 -3.360 1.00 0.00 C ATOM 967 CE2 TYR A 66 -9.031 -4.978 -1.825 1.00 0.00 C ATOM 968 CZ TYR A 66 -10.359 -5.157 -2.232 1.00 0.00 C ATOM 969 OH TYR A 66 -11.193 -5.994 -1.518 1.00 0.00 O ATOM 0 H TYR A 66 -6.641 -4.520 -6.031 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.960 -2.607 -6.316 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.731 -2.689 -4.187 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.017 -1.501 -4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.369 -3.124 -4.954 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.160 -3.994 -2.233 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.865 -4.624 -3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.660 -5.495 -0.952 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.088 -5.599 -1.468 1.00 0.00 H new ATOM 979 N PRO A 67 -7.417 -1.701 -8.018 1.00 0.00 N ATOM 980 CA PRO A 67 -6.579 -0.890 -8.930 1.00 0.00 C ATOM 981 C PRO A 67 -6.253 0.451 -8.276 1.00 0.00 C ATOM 982 O PRO A 67 -7.012 1.395 -8.359 1.00 0.00 O ATOM 983 CB PRO A 67 -7.487 -0.706 -10.149 1.00 0.00 C ATOM 984 CG PRO A 67 -8.805 -1.465 -9.903 1.00 0.00 C ATOM 985 CD PRO A 67 -8.738 -2.138 -8.525 1.00 0.00 C ATOM 0 HA PRO A 67 -5.621 -1.346 -9.181 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.686 0.353 -10.315 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.996 -1.083 -11.046 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.650 -0.778 -9.947 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.961 -2.212 -10.681 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.550 -1.813 -7.875 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.805 -3.223 -8.600 1.00 0.00 H new ATOM 993 N SER A 68 -5.137 0.537 -7.610 1.00 0.00 N ATOM 994 CA SER A 68 -4.779 1.816 -6.936 1.00 0.00 C ATOM 995 C SER A 68 -3.620 2.513 -7.654 1.00 0.00 C ATOM 996 O SER A 68 -3.230 2.140 -8.743 1.00 0.00 O ATOM 997 CB SER A 68 -4.362 1.410 -5.524 1.00 0.00 C ATOM 998 OG SER A 68 -4.921 0.140 -5.218 1.00 0.00 O ATOM 0 H SER A 68 -4.460 -0.218 -7.503 1.00 0.00 H new ATOM 0 HA SER A 68 -5.610 2.521 -6.939 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.275 1.369 -5.451 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.703 2.154 -4.803 1.00 0.00 H new ATOM 0 HG SER A 68 -5.684 -0.033 -5.809 1.00 0.00 H new ATOM 1004 N SER A 69 -3.070 3.524 -7.041 1.00 0.00 N ATOM 1005 CA SER A 69 -1.938 4.263 -7.655 1.00 0.00 C ATOM 1006 C SER A 69 -1.009 4.739 -6.542 1.00 0.00 C ATOM 1007 O SER A 69 -1.194 4.398 -5.391 1.00 0.00 O ATOM 1008 CB SER A 69 -2.576 5.449 -8.376 1.00 0.00 C ATOM 1009 OG SER A 69 -2.579 5.203 -9.776 1.00 0.00 O ATOM 0 H SER A 69 -3.363 3.872 -6.128 1.00 0.00 H new ATOM 0 HA SER A 69 -1.351 3.656 -8.344 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.595 5.600 -8.020 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.023 6.362 -8.157 1.00 0.00 H new ATOM 0 HG SER A 69 -2.990 5.962 -10.241 1.00 0.00 H new ATOM 1015 N VAL A 70 0.000 5.496 -6.856 1.00 0.00 N ATOM 1016 CA VAL A 70 0.920 5.935 -5.781 1.00 0.00 C ATOM 1017 C VAL A 70 1.360 7.384 -5.941 1.00 0.00 C ATOM 1018 O VAL A 70 1.461 7.908 -7.032 1.00 0.00 O ATOM 1019 CB VAL A 70 2.100 4.995 -5.927 1.00 0.00 C ATOM 1020 CG1 VAL A 70 2.961 5.425 -7.120 1.00 0.00 C ATOM 1021 CG2 VAL A 70 2.939 5.029 -4.652 1.00 0.00 C ATOM 0 H VAL A 70 0.224 5.825 -7.795 1.00 0.00 H new ATOM 0 HA VAL A 70 0.447 5.898 -4.800 1.00 0.00 H new ATOM 0 HB VAL A 70 1.735 3.982 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.808 4.746 -7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.362 5.396 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.326 6.439 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.788 4.353 -4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.301 6.043 -4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.328 4.715 -3.806 1.00 0.00 H new ATOM 1031 N LYS A 71 1.637 8.026 -4.841 1.00 0.00 N ATOM 1032 CA LYS A 71 2.089 9.434 -4.890 1.00 0.00 C ATOM 1033 C LYS A 71 3.297 9.616 -3.966 1.00 0.00 C ATOM 1034 O LYS A 71 3.186 10.133 -2.873 1.00 0.00 O ATOM 1035 CB LYS A 71 0.896 10.240 -4.393 1.00 0.00 C ATOM 1036 CG LYS A 71 1.368 11.630 -3.991 1.00 0.00 C ATOM 1037 CD LYS A 71 1.080 11.854 -2.507 1.00 0.00 C ATOM 1038 CE LYS A 71 1.585 13.239 -2.091 1.00 0.00 C ATOM 1039 NZ LYS A 71 0.701 14.204 -2.802 1.00 0.00 N ATOM 0 H LYS A 71 1.567 7.628 -3.905 1.00 0.00 H new ATOM 0 HA LYS A 71 2.400 9.748 -5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.139 10.311 -5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.432 9.740 -3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.435 11.734 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.860 12.386 -4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.010 11.774 -2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.568 11.083 -1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.526 13.372 -1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.629 13.379 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.352 14.916 -2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.238 14.676 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.106 13.695 -3.217 1.00 0.00 H new ATOM 1053 N GLN A 72 4.444 9.195 -4.402 1.00 0.00 N ATOM 1054 CA GLN A 72 5.665 9.337 -3.559 1.00 0.00 C ATOM 1055 C GLN A 72 6.454 10.582 -3.974 1.00 0.00 C ATOM 1056 O GLN A 72 5.950 11.332 -4.793 1.00 0.00 O ATOM 1057 CB GLN A 72 6.477 8.067 -3.822 1.00 0.00 C ATOM 1058 CG GLN A 72 6.963 8.054 -5.274 1.00 0.00 C ATOM 1059 CD GLN A 72 8.365 7.445 -5.334 1.00 0.00 C ATOM 1060 OE1 GLN A 72 8.711 6.609 -4.524 1.00 0.00 O ATOM 1061 NE2 GLN A 72 9.194 7.830 -6.266 1.00 0.00 N ATOM 1062 OXT GLN A 72 7.548 10.762 -3.466 1.00 0.00 O ATOM 0 H GLN A 72 4.594 8.756 -5.310 1.00 0.00 H new ATOM 0 HA GLN A 72 5.427 9.455 -2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 72 7.329 8.022 -3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.866 7.186 -3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.277 7.477 -5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 72 6.977 9.068 -5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.905 8.532 -6.947 1.00 0.00 H new ATOM 0 HE22 GLN A 72 10.131 7.429 -6.313 1.00 0.00 H new TER 1071 GLN A 72 HETATM 1072 HG HG A 73 -15.062 -3.112 0.987 1.00 0.00 HG