USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=22 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 6 THR OG1 : rot 180:sc=-0.00925 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 THR OG1 : rot 76:sc= -0.0214! USER MOD Set 2.2: A 66 TYR OH : rot 130:sc= 0 USER MOD Set 3.1: A 4 THR OG1 : rot -117:sc= 0.628 USER MOD Set 3.2: A 46 THR OG1 : rot 180:sc= -2.07! 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= -0.235 K(o=-0.24,f=-2.3!) USER MOD Single : A 12 MET CE :methyl 167:sc= -4.54! (180deg=-5.04!) USER MOD Single : A 13 THR OG1 : rot 33:sc= 0.293 USER MOD Single : A 14 CYS SG : rot 180:sc= -1.22 USER MOD Single : A 17 CYS SG : rot -162:sc= 0.721 USER MOD Single : A 22 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0549) USER MOD Single : A 23 LYS NZ :NH3+ -121:sc= -0.0038 (180deg=-0.139) 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+ -144:sc= -0.0473 (180deg=-0.517) USER MOD Single : A 40 LYS NZ :NH3+ -157:sc= -0.972 (180deg=-2.66!) USER MOD Single : A 50 THR OG1 : rot 177:sc= -1.53! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 66:sc= 0.12 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -92:sc= -1.32! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -170:sc= -3.54! USER MOD Single : A 68 SER OG : rot 135:sc= -6.98! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -4.24! C(o=-4.2!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.015 2.402 0.095 1.00 0.00 N ATOM 2 CA ALA A 1 16.955 1.426 -0.288 1.00 0.00 C ATOM 3 C ALA A 1 15.889 1.346 0.804 1.00 0.00 C ATOM 4 O ALA A 1 15.583 0.287 1.306 1.00 0.00 O ATOM 5 CB ALA A 1 17.683 0.094 -0.418 1.00 0.00 C ATOM 0 H1 ALA A 1 18.733 2.447 -0.656 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.590 3.343 0.225 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.462 2.098 0.984 1.00 0.00 H new ATOM 0 HA ALA A 1 16.445 1.709 -1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.972 -0.683 -0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.454 0.174 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 1 18.144 -0.163 0.536 1.00 0.00 H new ATOM 13 N THR A 2 15.319 2.460 1.161 1.00 0.00 N ATOM 14 CA THR A 2 14.277 2.497 2.198 1.00 0.00 C ATOM 15 C THR A 2 13.439 3.743 1.950 1.00 0.00 C ATOM 16 O THR A 2 13.782 4.829 2.374 1.00 0.00 O ATOM 17 CB THR A 2 15.024 2.619 3.512 1.00 0.00 C ATOM 18 OG1 THR A 2 16.358 3.044 3.267 1.00 0.00 O ATOM 19 CG2 THR A 2 15.035 1.270 4.225 1.00 0.00 C ATOM 0 H THR A 2 15.546 3.370 0.759 1.00 0.00 H new ATOM 0 HA THR A 2 13.626 1.623 2.200 1.00 0.00 H new ATOM 0 HB THR A 2 14.524 3.354 4.143 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.837 3.124 4.118 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.573 1.362 5.169 1.00 0.00 H new ATOM 0 HG22 THR A 2 14.010 0.953 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.530 0.530 3.596 1.00 0.00 H new ATOM 27 N GLN A 3 12.378 3.610 1.225 1.00 0.00 N ATOM 28 CA GLN A 3 11.556 4.816 0.902 1.00 0.00 C ATOM 29 C GLN A 3 10.174 4.757 1.548 1.00 0.00 C ATOM 30 O GLN A 3 9.881 3.903 2.358 1.00 0.00 O ATOM 31 CB GLN A 3 11.424 4.812 -0.624 1.00 0.00 C ATOM 32 CG GLN A 3 12.761 4.423 -1.262 1.00 0.00 C ATOM 33 CD GLN A 3 13.167 5.479 -2.290 1.00 0.00 C ATOM 34 OE1 GLN A 3 12.340 6.235 -2.761 1.00 0.00 O ATOM 35 NE2 GLN A 3 14.415 5.563 -2.662 1.00 0.00 N ATOM 0 H GLN A 3 12.037 2.730 0.839 1.00 0.00 H new ATOM 0 HA GLN A 3 12.028 5.722 1.283 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.648 4.110 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.117 5.798 -0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.529 4.335 -0.494 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.676 3.448 -1.742 1.00 0.00 H new ATOM 0 HE21 GLN A 3 15.109 4.928 -2.267 1.00 0.00 H new ATOM 0 HE22 GLN A 3 14.697 6.263 -3.348 1.00 0.00 H new ATOM 44 N THR A 4 9.324 5.676 1.181 1.00 0.00 N ATOM 45 CA THR A 4 7.948 5.707 1.747 1.00 0.00 C ATOM 46 C THR A 4 7.002 6.369 0.741 1.00 0.00 C ATOM 47 O THR A 4 7.422 7.117 -0.119 1.00 0.00 O ATOM 48 CB THR A 4 8.058 6.549 3.021 1.00 0.00 C ATOM 49 OG1 THR A 4 9.143 6.075 3.807 1.00 0.00 O ATOM 50 CG2 THR A 4 6.760 6.441 3.823 1.00 0.00 C ATOM 0 H THR A 4 9.527 6.414 0.506 1.00 0.00 H new ATOM 0 HA THR A 4 7.556 4.712 1.959 1.00 0.00 H new ATOM 0 HB THR A 4 8.230 7.592 2.753 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.805 5.747 4.667 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.841 7.041 4.729 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.928 6.805 3.220 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.584 5.400 4.092 1.00 0.00 H new ATOM 58 N VAL A 5 5.734 6.089 0.831 1.00 0.00 N ATOM 59 CA VAL A 5 4.764 6.689 -0.132 1.00 0.00 C ATOM 60 C VAL A 5 3.341 6.409 0.310 1.00 0.00 C ATOM 61 O VAL A 5 3.080 5.614 1.190 1.00 0.00 O ATOM 62 CB VAL A 5 5.058 6.020 -1.481 1.00 0.00 C ATOM 63 CG1 VAL A 5 5.469 4.562 -1.275 1.00 0.00 C ATOM 64 CG2 VAL A 5 3.819 6.067 -2.380 1.00 0.00 C ATOM 0 H VAL A 5 5.324 5.470 1.530 1.00 0.00 H new ATOM 0 HA VAL A 5 4.867 7.772 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 5 5.874 6.563 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.674 4.102 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.365 4.521 -0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.661 4.023 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.043 5.589 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.997 5.541 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.534 7.105 -2.553 1.00 0.00 H new ATOM 74 N THR A 6 2.425 7.051 -0.329 1.00 0.00 N ATOM 75 CA THR A 6 0.996 6.840 -0.010 1.00 0.00 C ATOM 76 C THR A 6 0.369 6.097 -1.178 1.00 0.00 C ATOM 77 O THR A 6 0.953 6.008 -2.238 1.00 0.00 O ATOM 78 CB THR A 6 0.397 8.237 0.148 1.00 0.00 C ATOM 79 OG1 THR A 6 -1.011 8.132 0.311 1.00 0.00 O ATOM 80 CG2 THR A 6 0.711 9.068 -1.094 1.00 0.00 C ATOM 0 H THR A 6 2.604 7.726 -1.073 1.00 0.00 H new ATOM 0 HA THR A 6 0.830 6.256 0.895 1.00 0.00 H new ATOM 0 HB THR A 6 0.827 8.722 1.025 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.396 9.027 0.414 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.284 10.065 -0.982 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.791 9.147 -1.215 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.282 8.586 -1.972 1.00 0.00 H new ATOM 88 N LEU A 7 -0.790 5.548 -1.007 1.00 0.00 N ATOM 89 CA LEU A 7 -1.396 4.796 -2.138 1.00 0.00 C ATOM 90 C LEU A 7 -2.857 5.168 -2.341 1.00 0.00 C ATOM 91 O LEU A 7 -3.588 5.428 -1.407 1.00 0.00 O ATOM 92 CB LEU A 7 -1.268 3.322 -1.751 1.00 0.00 C ATOM 93 CG LEU A 7 -0.249 2.650 -2.669 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.012 3.503 -2.739 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.109 1.262 -2.128 1.00 0.00 C ATOM 0 H LEU A 7 -1.341 5.583 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.895 5.024 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.954 3.232 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.235 2.826 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.681 2.547 -3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.740 3.024 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.763 4.489 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.436 3.608 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.836 0.790 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.536 1.360 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.790 0.647 -2.080 1.00 0.00 H new ATOM 107 N ALA A 8 -3.283 5.170 -3.568 1.00 0.00 N ATOM 108 CA ALA A 8 -4.706 5.499 -3.868 1.00 0.00 C ATOM 109 C ALA A 8 -5.415 4.235 -4.352 1.00 0.00 C ATOM 110 O ALA A 8 -5.276 3.837 -5.491 1.00 0.00 O ATOM 111 CB ALA A 8 -4.651 6.549 -4.978 1.00 0.00 C ATOM 0 H ALA A 8 -2.707 4.957 -4.383 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.249 5.872 -3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.664 6.841 -5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.104 7.423 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.145 6.132 -5.849 1.00 0.00 H new ATOM 117 N VAL A 9 -6.154 3.583 -3.497 1.00 0.00 N ATOM 118 CA VAL A 9 -6.837 2.326 -3.928 1.00 0.00 C ATOM 119 C VAL A 9 -8.362 2.491 -3.981 1.00 0.00 C ATOM 120 O VAL A 9 -9.059 2.056 -3.087 1.00 0.00 O ATOM 121 CB VAL A 9 -6.443 1.291 -2.875 1.00 0.00 C ATOM 122 CG1 VAL A 9 -6.738 1.837 -1.477 1.00 0.00 C ATOM 123 CG2 VAL A 9 -7.244 0.012 -3.100 1.00 0.00 C ATOM 0 H VAL A 9 -6.315 3.860 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.539 2.036 -4.936 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.378 1.077 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.455 1.096 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.167 2.751 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.802 2.054 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.965 -0.729 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.309 0.230 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.031 -0.380 -4.094 1.00 0.00 H new ATOM 133 N PRO A 10 -8.838 3.096 -5.045 1.00 0.00 N ATOM 134 CA PRO A 10 -10.296 3.297 -5.223 1.00 0.00 C ATOM 135 C PRO A 10 -11.013 1.956 -5.426 1.00 0.00 C ATOM 136 O PRO A 10 -12.223 1.902 -5.512 1.00 0.00 O ATOM 137 CB PRO A 10 -10.364 4.143 -6.497 1.00 0.00 C ATOM 138 CG PRO A 10 -8.949 4.245 -7.097 1.00 0.00 C ATOM 139 CD PRO A 10 -7.953 3.613 -6.116 1.00 0.00 C ATOM 0 HA PRO A 10 -10.777 3.763 -4.363 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.047 3.690 -7.215 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.751 5.136 -6.271 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.908 3.734 -8.059 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.690 5.288 -7.279 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.374 2.816 -6.583 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.240 4.344 -5.735 1.00 0.00 H new ATOM 147 N GLY A 11 -10.278 0.875 -5.510 1.00 0.00 N ATOM 148 CA GLY A 11 -10.924 -0.455 -5.712 1.00 0.00 C ATOM 149 C GLY A 11 -12.166 -0.555 -4.828 1.00 0.00 C ATOM 150 O GLY A 11 -13.210 -1.010 -5.252 1.00 0.00 O ATOM 0 H GLY A 11 -9.260 0.858 -5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.198 -0.583 -6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.224 -1.253 -5.466 1.00 0.00 H new ATOM 154 N MET A 12 -12.062 -0.124 -3.603 1.00 0.00 N ATOM 155 CA MET A 12 -13.234 -0.181 -2.686 1.00 0.00 C ATOM 156 C MET A 12 -13.300 1.103 -1.857 1.00 0.00 C ATOM 157 O MET A 12 -12.741 2.116 -2.228 1.00 0.00 O ATOM 158 CB MET A 12 -12.979 -1.393 -1.792 1.00 0.00 C ATOM 159 CG MET A 12 -13.218 -2.675 -2.591 1.00 0.00 C ATOM 160 SD MET A 12 -14.869 -3.321 -2.224 1.00 0.00 S ATOM 161 CE MET A 12 -15.775 -1.767 -2.413 1.00 0.00 C ATOM 0 H MET A 12 -11.213 0.267 -3.195 1.00 0.00 H new ATOM 0 HA MET A 12 -14.181 -0.269 -3.218 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.956 -1.372 -1.415 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.639 -1.364 -0.925 1.00 0.00 H new ATOM 0 HG2 MET A 12 -13.124 -2.473 -3.658 1.00 0.00 H new ATOM 0 HG3 MET A 12 -12.462 -3.418 -2.340 1.00 0.00 H new ATOM 0 HE1 MET A 12 -16.845 -1.972 -2.457 1.00 0.00 H new ATOM 0 HE2 MET A 12 -15.565 -1.118 -1.563 1.00 0.00 H new ATOM 0 HE3 MET A 12 -15.462 -1.273 -3.333 1.00 0.00 H new ATOM 171 N THR A 13 -13.973 1.077 -0.740 1.00 0.00 N ATOM 172 CA THR A 13 -14.059 2.309 0.097 1.00 0.00 C ATOM 173 C THR A 13 -14.874 2.043 1.367 1.00 0.00 C ATOM 174 O THR A 13 -16.034 2.392 1.455 1.00 0.00 O ATOM 175 CB THR A 13 -14.766 3.337 -0.787 1.00 0.00 C ATOM 176 OG1 THR A 13 -15.029 4.511 -0.031 1.00 0.00 O ATOM 177 CG2 THR A 13 -16.081 2.751 -1.300 1.00 0.00 C ATOM 0 H THR A 13 -14.464 0.263 -0.372 1.00 0.00 H new ATOM 0 HA THR A 13 -13.077 2.652 0.422 1.00 0.00 H new ATOM 0 HB THR A 13 -14.128 3.588 -1.634 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.311 4.647 0.622 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.585 3.484 -1.930 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.876 1.852 -1.882 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.721 2.498 -0.455 1.00 0.00 H new ATOM 185 N CYS A 14 -14.273 1.434 2.353 1.00 0.00 N ATOM 186 CA CYS A 14 -15.012 1.156 3.617 1.00 0.00 C ATOM 187 C CYS A 14 -14.073 0.469 4.616 1.00 0.00 C ATOM 188 O CYS A 14 -12.908 0.275 4.348 1.00 0.00 O ATOM 189 CB CYS A 14 -16.202 0.267 3.190 1.00 0.00 C ATOM 190 SG CYS A 14 -16.015 -1.446 3.766 1.00 0.00 S ATOM 0 H CYS A 14 -13.303 1.117 2.338 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.374 2.051 4.123 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.127 0.684 3.588 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.290 0.276 2.104 1.00 0.00 H new ATOM 0 HG CYS A 14 -17.040 -2.147 3.383 1.00 0.00 H new ATOM 195 N ALA A 15 -14.567 0.104 5.764 1.00 0.00 N ATOM 196 CA ALA A 15 -13.687 -0.564 6.765 1.00 0.00 C ATOM 197 C ALA A 15 -13.550 -2.054 6.441 1.00 0.00 C ATOM 198 O ALA A 15 -14.074 -2.898 7.140 1.00 0.00 O ATOM 199 CB ALA A 15 -14.396 -0.370 8.106 1.00 0.00 C ATOM 0 H ALA A 15 -15.536 0.237 6.053 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.680 -0.148 6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.810 -0.835 8.898 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.502 0.695 8.311 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.383 -0.832 8.066 1.00 0.00 H new ATOM 205 N ALA A 16 -12.848 -2.388 5.389 1.00 0.00 N ATOM 206 CA ALA A 16 -12.689 -3.829 5.042 1.00 0.00 C ATOM 207 C ALA A 16 -11.781 -4.021 3.819 1.00 0.00 C ATOM 208 O ALA A 16 -10.940 -4.891 3.808 1.00 0.00 O ATOM 209 CB ALA A 16 -14.104 -4.317 4.731 1.00 0.00 C ATOM 0 H ALA A 16 -12.383 -1.732 4.762 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.221 -4.383 5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.074 -5.374 4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.737 -4.181 5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.511 -3.745 3.898 1.00 0.00 H new ATOM 215 N CYS A 17 -11.958 -3.246 2.778 1.00 0.00 N ATOM 216 CA CYS A 17 -11.107 -3.441 1.558 1.00 0.00 C ATOM 217 C CYS A 17 -9.866 -2.532 1.550 1.00 0.00 C ATOM 218 O CYS A 17 -8.793 -2.993 1.212 1.00 0.00 O ATOM 219 CB CYS A 17 -12.015 -3.127 0.367 1.00 0.00 C ATOM 220 SG CYS A 17 -13.632 -3.903 0.610 1.00 0.00 S ATOM 0 H CYS A 17 -12.645 -2.495 2.717 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.718 -4.459 1.525 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -12.131 -2.048 0.260 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -11.561 -3.491 -0.555 1.00 0.00 H new ATOM 0 HG CYS A 17 -14.258 -3.967 -0.528 1.00 0.00 H new ATOM 225 N PRO A 18 -10.017 -1.277 1.907 1.00 0.00 N ATOM 226 CA PRO A 18 -8.848 -0.372 1.906 1.00 0.00 C ATOM 227 C PRO A 18 -7.864 -0.848 2.970 1.00 0.00 C ATOM 228 O PRO A 18 -6.665 -0.824 2.785 1.00 0.00 O ATOM 229 CB PRO A 18 -9.462 0.983 2.258 1.00 0.00 C ATOM 230 CG PRO A 18 -10.967 0.785 2.519 1.00 0.00 C ATOM 231 CD PRO A 18 -11.313 -0.702 2.334 1.00 0.00 C ATOM 0 HA PRO A 18 -8.295 -0.334 0.968 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.977 1.401 3.140 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.309 1.691 1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.220 1.108 3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.552 1.397 1.832 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.673 -1.154 3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.090 -0.848 1.584 1.00 0.00 H new ATOM 239 N ILE A 19 -8.376 -1.309 4.075 1.00 0.00 N ATOM 240 CA ILE A 19 -7.491 -1.832 5.157 1.00 0.00 C ATOM 241 C ILE A 19 -6.769 -3.088 4.648 1.00 0.00 C ATOM 242 O ILE A 19 -5.630 -3.360 4.988 1.00 0.00 O ATOM 243 CB ILE A 19 -8.459 -2.156 6.307 1.00 0.00 C ATOM 244 CG1 ILE A 19 -7.863 -1.675 7.632 1.00 0.00 C ATOM 245 CG2 ILE A 19 -8.735 -3.663 6.395 1.00 0.00 C ATOM 246 CD1 ILE A 19 -8.851 -1.955 8.767 1.00 0.00 C ATOM 0 H ILE A 19 -9.375 -1.347 4.279 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.717 -1.134 5.475 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.401 -1.643 6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.918 -2.184 7.824 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.646 -0.608 7.579 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.423 -3.860 7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.179 -4.007 5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.800 -4.195 6.569 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.427 -1.613 9.711 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.785 -1.426 8.575 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.046 -3.026 8.824 1.00 0.00 H new ATOM 258 N THR A 20 -7.433 -3.846 3.818 1.00 0.00 N ATOM 259 CA THR A 20 -6.805 -5.071 3.263 1.00 0.00 C ATOM 260 C THR A 20 -5.572 -4.664 2.484 1.00 0.00 C ATOM 261 O THR A 20 -4.675 -5.449 2.249 1.00 0.00 O ATOM 262 CB THR A 20 -7.848 -5.670 2.323 1.00 0.00 C ATOM 263 OG1 THR A 20 -9.046 -5.908 3.042 1.00 0.00 O ATOM 264 CG2 THR A 20 -7.324 -6.991 1.761 1.00 0.00 C ATOM 0 H THR A 20 -8.386 -3.666 3.502 1.00 0.00 H new ATOM 0 HA THR A 20 -6.508 -5.784 4.032 1.00 0.00 H new ATOM 0 HB THR A 20 -8.044 -4.977 1.505 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.514 -5.059 3.188 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.067 -7.421 1.089 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.399 -6.812 1.212 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.131 -7.684 2.580 1.00 0.00 H new ATOM 272 N VAL A 21 -5.516 -3.424 2.097 1.00 0.00 N ATOM 273 CA VAL A 21 -4.339 -2.949 1.351 1.00 0.00 C ATOM 274 C VAL A 21 -3.191 -2.797 2.335 1.00 0.00 C ATOM 275 O VAL A 21 -2.052 -3.083 2.034 1.00 0.00 O ATOM 276 CB VAL A 21 -4.737 -1.591 0.772 1.00 0.00 C ATOM 277 CG1 VAL A 21 -3.569 -1.014 -0.027 1.00 0.00 C ATOM 278 CG2 VAL A 21 -5.948 -1.758 -0.147 1.00 0.00 C ATOM 0 H VAL A 21 -6.238 -2.724 2.268 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.028 -3.629 0.558 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.992 -0.913 1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.853 -0.046 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.706 -0.890 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.313 -1.694 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.229 -0.788 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.696 -2.438 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.783 -2.167 0.422 1.00 0.00 H new ATOM 288 N LYS A 22 -3.502 -2.377 3.529 1.00 0.00 N ATOM 289 CA LYS A 22 -2.450 -2.224 4.556 1.00 0.00 C ATOM 290 C LYS A 22 -1.819 -3.586 4.779 1.00 0.00 C ATOM 291 O LYS A 22 -0.638 -3.712 5.033 1.00 0.00 O ATOM 292 CB LYS A 22 -3.181 -1.701 5.809 1.00 0.00 C ATOM 293 CG LYS A 22 -3.444 -2.832 6.814 1.00 0.00 C ATOM 294 CD LYS A 22 -2.151 -3.162 7.561 1.00 0.00 C ATOM 295 CE LYS A 22 -2.105 -2.381 8.876 1.00 0.00 C ATOM 296 NZ LYS A 22 -2.941 -3.171 9.823 1.00 0.00 N ATOM 0 H LYS A 22 -4.445 -2.134 3.833 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.650 -1.536 4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.583 -0.922 6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.126 -1.244 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.218 -2.532 7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.812 -3.717 6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.097 -4.232 7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.288 -2.908 6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.083 -2.282 9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.498 -1.372 8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.546 -2.527 10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.537 -3.835 9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.324 -3.703 10.470 1.00 0.00 H new ATOM 310 N LYS A 23 -2.610 -4.611 4.669 1.00 0.00 N ATOM 311 CA LYS A 23 -2.064 -5.972 4.856 1.00 0.00 C ATOM 312 C LYS A 23 -1.123 -6.305 3.704 1.00 0.00 C ATOM 313 O LYS A 23 -0.028 -6.794 3.892 1.00 0.00 O ATOM 314 CB LYS A 23 -3.279 -6.901 4.853 1.00 0.00 C ATOM 315 CG LYS A 23 -2.825 -8.336 5.125 1.00 0.00 C ATOM 316 CD LYS A 23 -2.716 -9.098 3.802 1.00 0.00 C ATOM 317 CE LYS A 23 -3.901 -10.056 3.663 1.00 0.00 C ATOM 318 NZ LYS A 23 -3.581 -11.198 4.565 1.00 0.00 N ATOM 0 H LYS A 23 -3.607 -4.563 4.458 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.493 -6.071 5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.994 -6.584 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.790 -6.846 3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.862 -8.333 5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.535 -8.834 5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.702 -8.397 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.779 -9.654 3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.835 -9.574 3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.021 -10.389 2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.550 -12.079 4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.656 -11.038 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.313 -11.276 5.300 1.00 0.00 H new ATOM 332 N ALA A 24 -1.560 -6.032 2.514 1.00 0.00 N ATOM 333 CA ALA A 24 -0.734 -6.313 1.307 1.00 0.00 C ATOM 334 C ALA A 24 0.660 -5.689 1.433 1.00 0.00 C ATOM 335 O ALA A 24 1.664 -6.370 1.351 1.00 0.00 O ATOM 336 CB ALA A 24 -1.499 -5.668 0.153 1.00 0.00 C ATOM 0 H ALA A 24 -2.472 -5.618 2.319 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.581 -7.383 1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.956 -5.829 -0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.490 -6.116 0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.598 -4.598 0.335 1.00 0.00 H new ATOM 342 N LEU A 25 0.735 -4.400 1.626 1.00 0.00 N ATOM 343 CA LEU A 25 2.072 -3.751 1.748 1.00 0.00 C ATOM 344 C LEU A 25 2.771 -4.254 3.007 1.00 0.00 C ATOM 345 O LEU A 25 3.977 -4.375 3.054 1.00 0.00 O ATOM 346 CB LEU A 25 1.806 -2.249 1.863 1.00 0.00 C ATOM 347 CG LEU A 25 0.723 -1.824 0.872 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.429 -1.187 1.643 1.00 0.00 C ATOM 349 CD2 LEU A 25 1.302 -0.803 -0.108 1.00 0.00 C ATOM 0 H LEU A 25 -0.065 -3.772 1.704 1.00 0.00 H new ATOM 0 HA LEU A 25 2.711 -3.977 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.495 -2.005 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.724 -1.694 1.669 1.00 0.00 H new ATOM 0 HG LEU A 25 0.365 -2.693 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.208 -0.880 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.838 -1.910 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.065 -0.315 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.530 -0.499 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.654 0.070 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.135 -1.251 -0.650 1.00 0.00 H new ATOM 361 N SER A 26 2.018 -4.561 4.023 1.00 0.00 N ATOM 362 CA SER A 26 2.634 -5.067 5.276 1.00 0.00 C ATOM 363 C SER A 26 3.321 -6.392 4.982 1.00 0.00 C ATOM 364 O SER A 26 4.189 -6.833 5.708 1.00 0.00 O ATOM 365 CB SER A 26 1.472 -5.263 6.248 1.00 0.00 C ATOM 366 OG SER A 26 1.890 -6.108 7.313 1.00 0.00 O ATOM 0 H SER A 26 1.001 -4.483 4.039 1.00 0.00 H new ATOM 0 HA SER A 26 3.380 -4.388 5.689 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.143 -4.300 6.639 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.620 -5.704 5.731 1.00 0.00 H new ATOM 0 HG SER A 26 1.148 -6.235 7.940 1.00 0.00 H new ATOM 372 N LYS A 27 2.938 -7.028 3.911 1.00 0.00 N ATOM 373 CA LYS A 27 3.572 -8.320 3.564 1.00 0.00 C ATOM 374 C LYS A 27 4.038 -8.317 2.104 1.00 0.00 C ATOM 375 O LYS A 27 4.304 -9.352 1.527 1.00 0.00 O ATOM 376 CB LYS A 27 2.485 -9.373 3.784 1.00 0.00 C ATOM 377 CG LYS A 27 1.309 -9.096 2.845 1.00 0.00 C ATOM 378 CD LYS A 27 1.613 -9.672 1.463 1.00 0.00 C ATOM 379 CE LYS A 27 0.301 -10.028 0.761 1.00 0.00 C ATOM 380 NZ LYS A 27 0.625 -11.217 -0.074 1.00 0.00 N ATOM 0 H LYS A 27 2.216 -6.707 3.266 1.00 0.00 H new ATOM 0 HA LYS A 27 4.455 -8.517 4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.886 -10.369 3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.149 -9.353 4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.398 -9.542 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.133 -8.023 2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.171 -8.948 0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.241 -10.558 1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.485 -10.254 1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.057 -9.200 0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.226 -11.522 -0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.371 -10.970 -0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.956 -11.990 0.537 1.00 0.00 H new ATOM 394 N VAL A 28 4.131 -7.163 1.497 1.00 0.00 N ATOM 395 CA VAL A 28 4.572 -7.108 0.072 1.00 0.00 C ATOM 396 C VAL A 28 5.929 -7.810 -0.108 1.00 0.00 C ATOM 397 O VAL A 28 6.048 -8.729 -0.891 1.00 0.00 O ATOM 398 CB VAL A 28 4.658 -5.614 -0.273 1.00 0.00 C ATOM 399 CG1 VAL A 28 5.547 -4.886 0.735 1.00 0.00 C ATOM 400 CG2 VAL A 28 5.243 -5.447 -1.677 1.00 0.00 C ATOM 0 H VAL A 28 3.922 -6.260 1.924 1.00 0.00 H new ATOM 0 HA VAL A 28 3.878 -7.626 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 28 3.656 -5.186 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.598 -3.828 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.128 -4.996 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.549 -5.314 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.304 -4.387 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.241 -5.885 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.602 -5.950 -2.401 1.00 0.00 H new ATOM 410 N GLU A 29 6.948 -7.400 0.611 1.00 0.00 N ATOM 411 CA GLU A 29 8.281 -8.060 0.472 1.00 0.00 C ATOM 412 C GLU A 29 9.357 -7.274 1.233 1.00 0.00 C ATOM 413 O GLU A 29 10.115 -7.831 2.002 1.00 0.00 O ATOM 414 CB GLU A 29 8.593 -8.060 -1.027 1.00 0.00 C ATOM 415 CG GLU A 29 8.280 -6.689 -1.631 1.00 0.00 C ATOM 416 CD GLU A 29 8.140 -6.822 -3.149 1.00 0.00 C ATOM 417 OE1 GLU A 29 7.547 -7.795 -3.585 1.00 0.00 O ATOM 418 OE2 GLU A 29 8.628 -5.950 -3.848 1.00 0.00 O ATOM 0 H GLU A 29 6.912 -6.637 1.287 1.00 0.00 H new ATOM 0 HA GLU A 29 8.268 -9.069 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.643 -8.305 -1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.006 -8.829 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.359 -6.293 -1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.074 -5.983 -1.388 1.00 0.00 H new ATOM 425 N GLY A 30 9.439 -5.988 1.017 1.00 0.00 N ATOM 426 CA GLY A 30 10.477 -5.180 1.723 1.00 0.00 C ATOM 427 C GLY A 30 9.807 -4.130 2.612 1.00 0.00 C ATOM 428 O GLY A 30 10.464 -3.316 3.231 1.00 0.00 O ATOM 0 H GLY A 30 8.835 -5.463 0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.108 -5.832 2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.127 -4.692 0.996 1.00 0.00 H new ATOM 432 N VAL A 31 8.507 -4.140 2.681 1.00 0.00 N ATOM 433 CA VAL A 31 7.796 -3.142 3.529 1.00 0.00 C ATOM 434 C VAL A 31 8.387 -3.106 4.934 1.00 0.00 C ATOM 435 O VAL A 31 8.608 -4.123 5.561 1.00 0.00 O ATOM 436 CB VAL A 31 6.348 -3.622 3.580 1.00 0.00 C ATOM 437 CG1 VAL A 31 6.308 -5.089 4.016 1.00 0.00 C ATOM 438 CG2 VAL A 31 5.566 -2.771 4.584 1.00 0.00 C ATOM 0 H VAL A 31 7.904 -4.797 2.186 1.00 0.00 H new ATOM 0 HA VAL A 31 7.884 -2.134 3.124 1.00 0.00 H new ATOM 0 HB VAL A 31 5.899 -3.526 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.273 -5.430 4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.865 -5.696 3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.757 -5.187 5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.531 -3.112 4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.017 -2.868 5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.592 -1.726 4.274 1.00 0.00 H new ATOM 448 N SER A 32 8.616 -1.932 5.440 1.00 0.00 N ATOM 449 CA SER A 32 9.155 -1.798 6.811 1.00 0.00 C ATOM 450 C SER A 32 8.113 -1.082 7.660 1.00 0.00 C ATOM 451 O SER A 32 8.232 -0.987 8.866 1.00 0.00 O ATOM 452 CB SER A 32 10.423 -0.957 6.670 1.00 0.00 C ATOM 453 OG SER A 32 11.553 -1.755 6.996 1.00 0.00 O ATOM 0 H SER A 32 8.450 -1.050 4.955 1.00 0.00 H new ATOM 0 HA SER A 32 9.380 -2.753 7.285 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.512 -0.579 5.651 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.373 -0.090 7.328 1.00 0.00 H new ATOM 0 HG SER A 32 12.369 -1.220 6.905 1.00 0.00 H new ATOM 459 N LYS A 33 7.080 -0.583 7.031 1.00 0.00 N ATOM 460 CA LYS A 33 6.018 0.118 7.797 1.00 0.00 C ATOM 461 C LYS A 33 4.692 0.075 7.044 1.00 0.00 C ATOM 462 O LYS A 33 4.647 -0.148 5.850 1.00 0.00 O ATOM 463 CB LYS A 33 6.494 1.556 7.930 1.00 0.00 C ATOM 464 CG LYS A 33 5.957 2.119 9.234 1.00 0.00 C ATOM 465 CD LYS A 33 6.520 3.522 9.467 1.00 0.00 C ATOM 466 CE LYS A 33 7.933 3.417 10.045 1.00 0.00 C ATOM 467 NZ LYS A 33 7.735 3.055 11.476 1.00 0.00 N ATOM 0 H LYS A 33 6.930 -0.633 6.023 1.00 0.00 H new ATOM 0 HA LYS A 33 5.851 -0.351 8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.583 1.598 7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.143 2.151 7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.868 2.155 9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.231 1.466 10.062 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.540 4.077 8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.876 4.074 10.151 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.518 2.660 9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.471 4.360 9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.459 3.525 12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.791 3.363 11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.817 2.024 11.588 1.00 0.00 H new ATOM 481 N VAL A 34 3.614 0.298 7.740 1.00 0.00 N ATOM 482 CA VAL A 34 2.279 0.276 7.085 1.00 0.00 C ATOM 483 C VAL A 34 1.301 1.177 7.841 1.00 0.00 C ATOM 484 O VAL A 34 1.252 1.183 9.055 1.00 0.00 O ATOM 485 CB VAL A 34 1.826 -1.181 7.162 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.355 -1.274 6.759 1.00 0.00 C ATOM 487 CG2 VAL A 34 2.669 -2.030 6.209 1.00 0.00 C ATOM 0 H VAL A 34 3.601 0.496 8.741 1.00 0.00 H new ATOM 0 HA VAL A 34 2.319 0.641 6.059 1.00 0.00 H new ATOM 0 HB VAL A 34 1.951 -1.548 8.181 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.028 -2.312 6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.247 -0.669 7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.233 -0.907 5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.345 -3.069 6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.544 -1.665 5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.719 -1.961 6.493 1.00 0.00 H new ATOM 497 N ASP A 35 0.518 1.932 7.127 1.00 0.00 N ATOM 498 CA ASP A 35 -0.469 2.833 7.781 1.00 0.00 C ATOM 499 C ASP A 35 -1.426 3.347 6.711 1.00 0.00 C ATOM 500 O ASP A 35 -1.155 4.325 6.047 1.00 0.00 O ATOM 501 CB ASP A 35 0.357 3.978 8.368 1.00 0.00 C ATOM 502 CG ASP A 35 0.465 3.805 9.885 1.00 0.00 C ATOM 503 OD1 ASP A 35 -0.350 3.086 10.439 1.00 0.00 O ATOM 504 OD2 ASP A 35 1.361 4.395 10.466 1.00 0.00 O ATOM 0 H ASP A 35 0.519 1.964 6.108 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.058 2.342 8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.351 3.990 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.109 4.935 8.133 1.00 0.00 H new ATOM 509 N VAL A 36 -2.526 2.678 6.509 1.00 0.00 N ATOM 510 CA VAL A 36 -3.467 3.114 5.441 1.00 0.00 C ATOM 511 C VAL A 36 -4.734 3.736 6.020 1.00 0.00 C ATOM 512 O VAL A 36 -4.745 4.273 7.110 1.00 0.00 O ATOM 513 CB VAL A 36 -3.816 1.827 4.689 1.00 0.00 C ATOM 514 CG1 VAL A 36 -2.536 1.041 4.399 1.00 0.00 C ATOM 515 CG2 VAL A 36 -4.754 0.968 5.541 1.00 0.00 C ATOM 0 H VAL A 36 -2.813 1.852 7.034 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.019 3.877 4.804 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.310 2.083 3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.785 0.125 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.867 1.648 3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.043 0.790 5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.000 0.053 5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.263 0.715 6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.669 1.524 5.748 1.00 0.00 H new ATOM 525 N GLY A 37 -5.803 3.659 5.280 1.00 0.00 N ATOM 526 CA GLY A 37 -7.088 4.233 5.746 1.00 0.00 C ATOM 527 C GLY A 37 -8.230 3.385 5.195 1.00 0.00 C ATOM 528 O GLY A 37 -8.467 3.356 3.991 1.00 0.00 O ATOM 0 H GLY A 37 -5.838 3.217 4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.121 4.250 6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.186 5.265 5.408 1.00 0.00 H new ATOM 532 N PHE A 38 -8.919 2.691 6.075 1.00 0.00 N ATOM 533 CA PHE A 38 -10.058 1.816 5.663 1.00 0.00 C ATOM 534 C PHE A 38 -11.335 2.644 5.489 1.00 0.00 C ATOM 535 O PHE A 38 -12.307 2.484 6.200 1.00 0.00 O ATOM 536 CB PHE A 38 -10.207 0.798 6.802 1.00 0.00 C ATOM 537 CG PHE A 38 -10.869 1.425 8.016 1.00 0.00 C ATOM 538 CD1 PHE A 38 -10.810 2.810 8.237 1.00 0.00 C ATOM 539 CD2 PHE A 38 -11.545 0.605 8.928 1.00 0.00 C ATOM 540 CE1 PHE A 38 -11.426 3.366 9.365 1.00 0.00 C ATOM 541 CE2 PHE A 38 -12.160 1.163 10.055 1.00 0.00 C ATOM 542 CZ PHE A 38 -12.101 2.543 10.273 1.00 0.00 C ATOM 0 H PHE A 38 -8.733 2.697 7.078 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.880 1.326 4.706 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.799 -0.051 6.460 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.226 0.412 7.078 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.289 3.447 7.537 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.592 -0.461 8.761 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.380 4.432 9.534 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -12.680 0.527 10.756 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.576 2.973 11.142 1.00 0.00 H new ATOM 552 N GLU A 39 -11.334 3.525 4.536 1.00 0.00 N ATOM 553 CA GLU A 39 -12.533 4.377 4.293 1.00 0.00 C ATOM 554 C GLU A 39 -12.259 5.288 3.100 1.00 0.00 C ATOM 555 O GLU A 39 -12.864 5.159 2.054 1.00 0.00 O ATOM 556 CB GLU A 39 -12.706 5.197 5.571 1.00 0.00 C ATOM 557 CG GLU A 39 -14.188 5.248 5.946 1.00 0.00 C ATOM 558 CD GLU A 39 -14.562 3.980 6.716 1.00 0.00 C ATOM 559 OE1 GLU A 39 -14.944 3.014 6.076 1.00 0.00 O ATOM 560 OE2 GLU A 39 -14.461 3.997 7.931 1.00 0.00 O ATOM 0 H GLU A 39 -10.549 3.696 3.907 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.429 3.798 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.130 4.752 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.322 6.206 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.390 6.129 6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.799 5.334 5.047 1.00 0.00 H new ATOM 567 N LYS A 40 -11.323 6.186 3.237 1.00 0.00 N ATOM 568 CA LYS A 40 -10.980 7.077 2.097 1.00 0.00 C ATOM 569 C LYS A 40 -9.882 6.405 1.270 1.00 0.00 C ATOM 570 O LYS A 40 -8.936 7.038 0.845 1.00 0.00 O ATOM 571 CB LYS A 40 -10.477 8.377 2.728 1.00 0.00 C ATOM 572 CG LYS A 40 -9.382 8.068 3.753 1.00 0.00 C ATOM 573 CD LYS A 40 -8.476 9.291 3.915 1.00 0.00 C ATOM 574 CE LYS A 40 -8.941 10.117 5.116 1.00 0.00 C ATOM 575 NZ LYS A 40 -10.333 10.530 4.781 1.00 0.00 N ATOM 0 H LYS A 40 -10.782 6.340 4.088 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.824 7.272 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.088 9.040 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -11.302 8.900 3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.830 7.804 4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.796 7.208 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.443 8.975 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.503 9.899 3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.913 9.530 6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.298 10.984 5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.582 11.382 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.399 10.736 3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.991 9.761 5.022 1.00 0.00 H new ATOM 589 N ARG A 41 -10.020 5.113 1.064 1.00 0.00 N ATOM 590 CA ARG A 41 -9.023 4.315 0.283 1.00 0.00 C ATOM 591 C ARG A 41 -7.647 4.972 0.268 1.00 0.00 C ATOM 592 O ARG A 41 -7.306 5.685 -0.654 1.00 0.00 O ATOM 593 CB ARG A 41 -9.589 4.239 -1.134 1.00 0.00 C ATOM 594 CG ARG A 41 -9.629 5.634 -1.762 1.00 0.00 C ATOM 595 CD ARG A 41 -8.753 5.657 -3.018 1.00 0.00 C ATOM 596 NE ARG A 41 -9.144 6.908 -3.729 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.424 7.350 -4.725 1.00 0.00 C ATOM 598 NH1 ARG A 41 -7.357 6.701 -5.103 1.00 0.00 N ATOM 599 NH2 ARG A 41 -8.774 8.444 -5.345 1.00 0.00 N ATOM 0 H ARG A 41 -10.806 4.566 1.416 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.879 3.331 0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.976 3.575 -1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.592 3.814 -1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.655 5.900 -2.017 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.276 6.376 -1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.694 5.662 -2.762 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.927 4.778 -3.638 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.976 7.420 -3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.083 5.845 -4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.797 7.049 -5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.608 8.952 -5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.213 8.791 -6.123 1.00 0.00 H new ATOM 613 N GLU A 42 -6.841 4.739 1.268 1.00 0.00 N ATOM 614 CA GLU A 42 -5.485 5.375 1.246 1.00 0.00 C ATOM 615 C GLU A 42 -4.452 4.519 1.987 1.00 0.00 C ATOM 616 O GLU A 42 -4.548 4.313 3.178 1.00 0.00 O ATOM 617 CB GLU A 42 -5.671 6.718 1.952 1.00 0.00 C ATOM 618 CG GLU A 42 -4.728 7.755 1.339 1.00 0.00 C ATOM 619 CD GLU A 42 -5.395 9.132 1.371 1.00 0.00 C ATOM 620 OE1 GLU A 42 -6.606 9.179 1.507 1.00 0.00 O ATOM 621 OE2 GLU A 42 -4.683 10.116 1.258 1.00 0.00 O ATOM 0 H GLU A 42 -7.049 4.155 2.078 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.111 5.486 0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.705 7.050 1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.467 6.611 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.789 7.781 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.486 7.480 0.312 1.00 0.00 H new ATOM 628 N ALA A 43 -3.457 4.021 1.296 1.00 0.00 N ATOM 629 CA ALA A 43 -2.433 3.184 1.987 1.00 0.00 C ATOM 630 C ALA A 43 -1.080 3.902 2.050 1.00 0.00 C ATOM 631 O ALA A 43 -0.458 4.172 1.046 1.00 0.00 O ATOM 632 CB ALA A 43 -2.323 1.917 1.143 1.00 0.00 C ATOM 0 H ALA A 43 -3.311 4.156 0.296 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.717 2.973 3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.587 1.247 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.292 1.419 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.012 2.179 0.132 1.00 0.00 H new ATOM 638 N VAL A 44 -0.603 4.182 3.229 1.00 0.00 N ATOM 639 CA VAL A 44 0.721 4.853 3.357 1.00 0.00 C ATOM 640 C VAL A 44 1.707 3.845 3.932 1.00 0.00 C ATOM 641 O VAL A 44 1.551 3.377 5.041 1.00 0.00 O ATOM 642 CB VAL A 44 0.474 6.044 4.296 1.00 0.00 C ATOM 643 CG1 VAL A 44 1.639 6.218 5.279 1.00 0.00 C ATOM 644 CG2 VAL A 44 0.331 7.317 3.460 1.00 0.00 C ATOM 0 H VAL A 44 -1.072 3.976 4.111 1.00 0.00 H new ATOM 0 HA VAL A 44 1.141 5.205 2.415 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.436 5.856 4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.440 7.067 5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.746 5.315 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.560 6.395 4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.155 8.167 4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.245 7.482 2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.510 7.210 2.775 1.00 0.00 H new ATOM 654 N VAL A 45 2.695 3.468 3.175 1.00 0.00 N ATOM 655 CA VAL A 45 3.644 2.440 3.695 1.00 0.00 C ATOM 656 C VAL A 45 5.101 2.770 3.365 1.00 0.00 C ATOM 657 O VAL A 45 5.413 3.367 2.354 1.00 0.00 O ATOM 658 CB VAL A 45 3.216 1.149 2.984 1.00 0.00 C ATOM 659 CG1 VAL A 45 4.237 0.033 3.233 1.00 0.00 C ATOM 660 CG2 VAL A 45 1.850 0.702 3.510 1.00 0.00 C ATOM 0 H VAL A 45 2.888 3.817 2.236 1.00 0.00 H new ATOM 0 HA VAL A 45 3.604 2.373 4.782 1.00 0.00 H new ATOM 0 HB VAL A 45 3.158 1.347 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.916 -0.874 2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.211 0.340 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.310 -0.161 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.548 -0.215 3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.915 0.520 4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.113 1.482 3.318 1.00 0.00 H new ATOM 670 N THR A 46 5.993 2.324 4.208 1.00 0.00 N ATOM 671 CA THR A 46 7.448 2.528 3.968 1.00 0.00 C ATOM 672 C THR A 46 8.033 1.168 3.624 1.00 0.00 C ATOM 673 O THR A 46 7.385 0.157 3.815 1.00 0.00 O ATOM 674 CB THR A 46 8.022 3.050 5.289 1.00 0.00 C ATOM 675 OG1 THR A 46 7.803 4.451 5.378 1.00 0.00 O ATOM 676 CG2 THR A 46 9.525 2.761 5.350 1.00 0.00 C ATOM 0 H THR A 46 5.770 1.819 5.066 1.00 0.00 H new ATOM 0 HA THR A 46 7.668 3.227 3.161 1.00 0.00 H new ATOM 0 HB THR A 46 7.527 2.550 6.121 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.169 4.786 6.223 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.929 3.134 6.291 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.692 1.686 5.284 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.025 3.257 4.518 1.00 0.00 H new ATOM 684 N PHE A 47 9.225 1.113 3.110 1.00 0.00 N ATOM 685 CA PHE A 47 9.788 -0.212 2.759 1.00 0.00 C ATOM 686 C PHE A 47 11.237 -0.089 2.342 1.00 0.00 C ATOM 687 O PHE A 47 11.837 0.961 2.435 1.00 0.00 O ATOM 688 CB PHE A 47 8.951 -0.679 1.575 1.00 0.00 C ATOM 689 CG PHE A 47 9.108 0.320 0.454 1.00 0.00 C ATOM 690 CD1 PHE A 47 10.149 0.179 -0.475 1.00 0.00 C ATOM 691 CD2 PHE A 47 8.215 1.394 0.347 1.00 0.00 C ATOM 692 CE1 PHE A 47 10.292 1.110 -1.507 1.00 0.00 C ATOM 693 CE2 PHE A 47 8.363 2.323 -0.687 1.00 0.00 C ATOM 694 CZ PHE A 47 9.400 2.181 -1.613 1.00 0.00 C ATOM 0 H PHE A 47 9.826 1.915 2.920 1.00 0.00 H new ATOM 0 HA PHE A 47 9.759 -0.903 3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.274 -1.668 1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.903 -0.765 1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.839 -0.648 -0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.413 1.504 1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.093 1.002 -2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.675 3.151 -0.770 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.512 2.900 -2.411 1.00 0.00 H new ATOM 704 N ASP A 48 11.782 -1.156 1.841 1.00 0.00 N ATOM 705 CA ASP A 48 13.182 -1.129 1.365 1.00 0.00 C ATOM 706 C ASP A 48 13.158 -1.166 -0.161 1.00 0.00 C ATOM 707 O ASP A 48 12.761 -2.145 -0.762 1.00 0.00 O ATOM 708 CB ASP A 48 13.829 -2.392 1.935 1.00 0.00 C ATOM 709 CG ASP A 48 15.088 -2.012 2.716 1.00 0.00 C ATOM 710 OD1 ASP A 48 14.948 -1.455 3.792 1.00 0.00 O ATOM 711 OD2 ASP A 48 16.171 -2.286 2.225 1.00 0.00 O ATOM 0 H ASP A 48 11.310 -2.055 1.741 1.00 0.00 H new ATOM 0 HA ASP A 48 13.733 -0.242 1.677 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.126 -2.911 2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.082 -3.080 1.128 1.00 0.00 H new ATOM 716 N ASP A 49 13.538 -0.094 -0.790 1.00 0.00 N ATOM 717 CA ASP A 49 13.490 -0.054 -2.279 1.00 0.00 C ATOM 718 C ASP A 49 14.417 -1.119 -2.884 1.00 0.00 C ATOM 719 O ASP A 49 14.380 -1.376 -4.072 1.00 0.00 O ATOM 720 CB ASP A 49 13.919 1.376 -2.649 1.00 0.00 C ATOM 721 CG ASP A 49 14.765 1.378 -3.929 1.00 0.00 C ATOM 722 OD1 ASP A 49 14.306 0.836 -4.921 1.00 0.00 O ATOM 723 OD2 ASP A 49 15.857 1.920 -3.891 1.00 0.00 O ATOM 0 H ASP A 49 13.880 0.756 -0.342 1.00 0.00 H new ATOM 0 HA ASP A 49 12.500 -0.281 -2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.037 2.000 -2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.490 1.812 -1.830 1.00 0.00 H new ATOM 728 N THR A 50 15.233 -1.751 -2.088 1.00 0.00 N ATOM 729 CA THR A 50 16.133 -2.804 -2.646 1.00 0.00 C ATOM 730 C THR A 50 15.329 -4.078 -2.917 1.00 0.00 C ATOM 731 O THR A 50 15.631 -4.836 -3.816 1.00 0.00 O ATOM 732 CB THR A 50 17.200 -3.061 -1.578 1.00 0.00 C ATOM 733 OG1 THR A 50 16.678 -2.757 -0.292 1.00 0.00 O ATOM 734 CG2 THR A 50 18.423 -2.185 -1.858 1.00 0.00 C ATOM 0 H THR A 50 15.317 -1.588 -1.085 1.00 0.00 H new ATOM 0 HA THR A 50 16.587 -2.493 -3.587 1.00 0.00 H new ATOM 0 HB THR A 50 17.491 -4.111 -1.605 1.00 0.00 H new ATOM 0 HG1 THR A 50 17.345 -2.975 0.392 1.00 0.00 H new ATOM 0 HG21 THR A 50 19.183 -2.367 -1.098 1.00 0.00 H new ATOM 0 HG22 THR A 50 18.827 -2.428 -2.841 1.00 0.00 H new ATOM 0 HG23 THR A 50 18.131 -1.135 -1.835 1.00 0.00 H new ATOM 742 N LYS A 51 14.302 -4.312 -2.145 1.00 0.00 N ATOM 743 CA LYS A 51 13.468 -5.532 -2.355 1.00 0.00 C ATOM 744 C LYS A 51 12.020 -5.131 -2.655 1.00 0.00 C ATOM 745 O LYS A 51 11.158 -5.968 -2.838 1.00 0.00 O ATOM 746 CB LYS A 51 13.552 -6.305 -1.038 1.00 0.00 C ATOM 747 CG LYS A 51 14.626 -7.389 -1.148 1.00 0.00 C ATOM 748 CD LYS A 51 14.052 -8.731 -0.685 1.00 0.00 C ATOM 749 CE LYS A 51 13.570 -8.610 0.762 1.00 0.00 C ATOM 750 NZ LYS A 51 14.502 -9.464 1.550 1.00 0.00 N ATOM 0 H LYS A 51 14.004 -3.711 -1.377 1.00 0.00 H new ATOM 0 HA LYS A 51 13.814 -6.131 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.789 -5.625 -0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.587 -6.757 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.974 -7.467 -2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.490 -7.122 -0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.225 -9.027 -1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.811 -9.509 -0.762 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.599 -7.575 1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.540 -8.951 0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.236 -9.433 2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.448 -10.445 1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.474 -9.112 1.438 1.00 0.00 H new ATOM 764 N ALA A 52 11.750 -3.855 -2.707 1.00 0.00 N ATOM 765 CA ALA A 52 10.363 -3.391 -2.995 1.00 0.00 C ATOM 766 C ALA A 52 10.397 -1.986 -3.602 1.00 0.00 C ATOM 767 O ALA A 52 11.439 -1.480 -3.967 1.00 0.00 O ATOM 768 CB ALA A 52 9.659 -3.371 -1.639 1.00 0.00 C ATOM 0 H ALA A 52 12.433 -3.111 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 52 9.850 -4.037 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.629 -3.039 -1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.666 -4.373 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.179 -2.687 -0.969 1.00 0.00 H new ATOM 774 N SER A 53 9.263 -1.354 -3.714 1.00 0.00 N ATOM 775 CA SER A 53 9.225 0.016 -4.297 1.00 0.00 C ATOM 776 C SER A 53 7.785 0.526 -4.324 1.00 0.00 C ATOM 777 O SER A 53 6.852 -0.245 -4.338 1.00 0.00 O ATOM 778 CB SER A 53 9.764 -0.145 -5.718 1.00 0.00 C ATOM 779 OG SER A 53 10.941 0.639 -5.865 1.00 0.00 O ATOM 0 H SER A 53 8.359 -1.728 -3.426 1.00 0.00 H new ATOM 0 HA SER A 53 9.810 0.733 -3.721 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.984 -1.193 -5.919 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.012 0.168 -6.442 1.00 0.00 H new ATOM 0 HG SER A 53 11.647 0.280 -5.288 1.00 0.00 H new ATOM 785 N VAL A 54 7.596 1.815 -4.332 1.00 0.00 N ATOM 786 CA VAL A 54 6.220 2.367 -4.365 1.00 0.00 C ATOM 787 C VAL A 54 5.364 1.573 -5.352 1.00 0.00 C ATOM 788 O VAL A 54 4.201 1.313 -5.111 1.00 0.00 O ATOM 789 CB VAL A 54 6.398 3.808 -4.834 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.434 4.514 -3.956 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.872 3.816 -6.289 1.00 0.00 C ATOM 0 H VAL A 54 8.341 2.511 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 54 5.717 2.312 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 54 5.445 4.332 -4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.558 5.543 -4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.095 4.511 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.388 3.991 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.999 4.845 -6.625 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.823 3.289 -6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.131 3.319 -6.916 1.00 0.00 H new ATOM 801 N GLN A 55 5.933 1.170 -6.454 1.00 0.00 N ATOM 802 CA GLN A 55 5.151 0.376 -7.441 1.00 0.00 C ATOM 803 C GLN A 55 4.747 -0.957 -6.807 1.00 0.00 C ATOM 804 O GLN A 55 3.608 -1.374 -6.881 1.00 0.00 O ATOM 805 CB GLN A 55 6.101 0.151 -8.617 1.00 0.00 C ATOM 806 CG GLN A 55 5.296 0.059 -9.915 1.00 0.00 C ATOM 807 CD GLN A 55 6.222 0.308 -11.106 1.00 0.00 C ATOM 808 OE1 GLN A 55 6.141 1.336 -11.748 1.00 0.00 O ATOM 809 NE2 GLN A 55 7.105 -0.596 -11.431 1.00 0.00 N ATOM 0 H GLN A 55 6.902 1.355 -6.713 1.00 0.00 H new ATOM 0 HA GLN A 55 4.237 0.878 -7.760 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.819 0.969 -8.679 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.673 -0.765 -8.466 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.833 -0.924 -10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.489 0.792 -9.908 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.173 -1.459 -10.892 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.727 -0.439 -12.224 1.00 0.00 H new ATOM 818 N LYS A 56 5.676 -1.621 -6.173 1.00 0.00 N ATOM 819 CA LYS A 56 5.352 -2.920 -5.520 1.00 0.00 C ATOM 820 C LYS A 56 4.294 -2.711 -4.433 1.00 0.00 C ATOM 821 O LYS A 56 3.494 -3.584 -4.159 1.00 0.00 O ATOM 822 CB LYS A 56 6.669 -3.393 -4.907 1.00 0.00 C ATOM 823 CG LYS A 56 7.443 -4.223 -5.934 1.00 0.00 C ATOM 824 CD LYS A 56 8.928 -3.861 -5.869 1.00 0.00 C ATOM 825 CE LYS A 56 9.441 -3.555 -7.278 1.00 0.00 C ATOM 826 NZ LYS A 56 10.263 -4.738 -7.655 1.00 0.00 N ATOM 0 H LYS A 56 6.646 -1.319 -6.080 1.00 0.00 H new ATOM 0 HA LYS A 56 4.947 -3.649 -6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.265 -2.536 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.474 -3.989 -4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.308 -5.286 -5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.056 -4.035 -6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.074 -2.997 -5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.495 -4.684 -5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.616 -3.409 -7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.035 -2.641 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.650 -4.602 -8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.045 -4.848 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.670 -5.592 -7.640 1.00 0.00 H new ATOM 840 N LEU A 57 4.268 -1.554 -3.823 1.00 0.00 N ATOM 841 CA LEU A 57 3.243 -1.296 -2.773 1.00 0.00 C ATOM 842 C LEU A 57 1.868 -1.300 -3.438 1.00 0.00 C ATOM 843 O LEU A 57 0.969 -2.025 -3.050 1.00 0.00 O ATOM 844 CB LEU A 57 3.573 0.092 -2.212 1.00 0.00 C ATOM 845 CG LEU A 57 5.034 0.146 -1.743 1.00 0.00 C ATOM 846 CD1 LEU A 57 5.352 1.559 -1.257 1.00 0.00 C ATOM 847 CD2 LEU A 57 5.252 -0.836 -0.590 1.00 0.00 C ATOM 0 H LEU A 57 4.909 -0.782 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 57 3.240 -2.044 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.401 0.850 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.908 0.322 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 57 5.686 -0.123 -2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.388 1.604 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.203 2.266 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.692 1.816 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.291 -0.790 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.599 -0.571 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.021 -1.847 -0.925 1.00 0.00 H new ATOM 859 N THR A 58 1.718 -0.515 -4.469 1.00 0.00 N ATOM 860 CA THR A 58 0.430 -0.482 -5.207 1.00 0.00 C ATOM 861 C THR A 58 0.202 -1.850 -5.841 1.00 0.00 C ATOM 862 O THR A 58 -0.899 -2.206 -6.206 1.00 0.00 O ATOM 863 CB THR A 58 0.624 0.583 -6.286 1.00 0.00 C ATOM 864 OG1 THR A 58 1.271 1.714 -5.721 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.734 0.999 -6.854 1.00 0.00 C ATOM 0 H THR A 58 2.439 0.108 -4.832 1.00 0.00 H new ATOM 0 HA THR A 58 -0.427 -0.256 -4.573 1.00 0.00 H new ATOM 0 HB THR A 58 1.237 0.175 -7.090 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.598 2.357 -5.414 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.590 1.758 -7.623 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.228 0.130 -7.290 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.354 1.405 -6.055 1.00 0.00 H new ATOM 873 N LYS A 59 1.249 -2.623 -5.961 1.00 0.00 N ATOM 874 CA LYS A 59 1.113 -3.979 -6.551 1.00 0.00 C ATOM 875 C LYS A 59 0.587 -4.932 -5.482 1.00 0.00 C ATOM 876 O LYS A 59 -0.079 -5.906 -5.774 1.00 0.00 O ATOM 877 CB LYS A 59 2.526 -4.373 -6.978 1.00 0.00 C ATOM 878 CG LYS A 59 2.452 -5.362 -8.142 1.00 0.00 C ATOM 879 CD LYS A 59 3.866 -5.792 -8.537 1.00 0.00 C ATOM 880 CE LYS A 59 4.483 -6.620 -7.406 1.00 0.00 C ATOM 881 NZ LYS A 59 5.490 -7.491 -8.073 1.00 0.00 N ATOM 0 H LYS A 59 2.194 -2.369 -5.674 1.00 0.00 H new ATOM 0 HA LYS A 59 0.422 -4.010 -7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.087 -3.487 -7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.059 -4.822 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.862 -6.233 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.949 -4.902 -8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.836 -6.377 -9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.482 -4.915 -8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.949 -5.980 -6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.726 -7.213 -6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.957 -8.090 -7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.016 -8.094 -8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.201 -6.899 -8.548 1.00 0.00 H new ATOM 895 N ALA A 60 0.870 -4.648 -4.238 1.00 0.00 N ATOM 896 CA ALA A 60 0.369 -5.531 -3.150 1.00 0.00 C ATOM 897 C ALA A 60 -1.136 -5.338 -3.011 1.00 0.00 C ATOM 898 O ALA A 60 -1.887 -6.288 -2.910 1.00 0.00 O ATOM 899 CB ALA A 60 1.102 -5.079 -1.886 1.00 0.00 C ATOM 0 H ALA A 60 1.423 -3.847 -3.932 1.00 0.00 H new ATOM 0 HA ALA A 60 0.548 -6.589 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.781 -5.689 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.177 -5.193 -2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.872 -4.032 -1.687 1.00 0.00 H new ATOM 905 N THR A 61 -1.591 -4.117 -3.049 1.00 0.00 N ATOM 906 CA THR A 61 -3.057 -3.883 -2.968 1.00 0.00 C ATOM 907 C THR A 61 -3.657 -4.300 -4.299 1.00 0.00 C ATOM 908 O THR A 61 -4.736 -4.857 -4.373 1.00 0.00 O ATOM 909 CB THR A 61 -3.215 -2.385 -2.741 1.00 0.00 C ATOM 910 OG1 THR A 61 -4.589 -2.078 -2.555 1.00 0.00 O ATOM 911 CG2 THR A 61 -2.673 -1.620 -3.949 1.00 0.00 C ATOM 0 H THR A 61 -1.016 -3.278 -3.132 1.00 0.00 H new ATOM 0 HA THR A 61 -3.552 -4.443 -2.174 1.00 0.00 H new ATOM 0 HB THR A 61 -2.655 -2.092 -1.853 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.711 -1.106 -2.567 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.788 -0.549 -3.783 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.617 -1.855 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.227 -1.910 -4.842 1.00 0.00 H new ATOM 919 N ALA A 62 -2.931 -4.064 -5.355 1.00 0.00 N ATOM 920 CA ALA A 62 -3.421 -4.475 -6.688 1.00 0.00 C ATOM 921 C ALA A 62 -3.646 -5.982 -6.663 1.00 0.00 C ATOM 922 O ALA A 62 -4.526 -6.506 -7.317 1.00 0.00 O ATOM 923 CB ALA A 62 -2.303 -4.104 -7.663 1.00 0.00 C ATOM 0 H ALA A 62 -2.021 -3.604 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.357 -3.996 -6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.597 -4.381 -8.676 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.123 -3.030 -7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.392 -4.637 -7.391 1.00 0.00 H new ATOM 929 N ASP A 63 -2.859 -6.683 -5.887 1.00 0.00 N ATOM 930 CA ASP A 63 -3.032 -8.155 -5.790 1.00 0.00 C ATOM 931 C ASP A 63 -4.000 -8.480 -4.654 1.00 0.00 C ATOM 932 O ASP A 63 -4.541 -9.565 -4.577 1.00 0.00 O ATOM 933 CB ASP A 63 -1.636 -8.704 -5.497 1.00 0.00 C ATOM 934 CG ASP A 63 -1.747 -10.152 -5.017 1.00 0.00 C ATOM 935 OD1 ASP A 63 -2.335 -10.365 -3.970 1.00 0.00 O ATOM 936 OD2 ASP A 63 -1.240 -11.023 -5.704 1.00 0.00 O ATOM 0 H ASP A 63 -2.106 -6.296 -5.319 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.446 -8.593 -6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.018 -8.653 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.146 -8.095 -4.738 1.00 0.00 H new ATOM 941 N ALA A 64 -4.242 -7.538 -3.780 1.00 0.00 N ATOM 942 CA ALA A 64 -5.196 -7.791 -2.672 1.00 0.00 C ATOM 943 C ALA A 64 -6.608 -7.789 -3.245 1.00 0.00 C ATOM 944 O ALA A 64 -7.540 -8.296 -2.651 1.00 0.00 O ATOM 945 CB ALA A 64 -5.003 -6.625 -1.701 1.00 0.00 C ATOM 0 H ALA A 64 -3.820 -6.610 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.035 -8.747 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.677 -6.743 -0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.972 -6.613 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.222 -5.687 -2.211 1.00 0.00 H new ATOM 951 N GLY A 65 -6.766 -7.216 -4.407 1.00 0.00 N ATOM 952 CA GLY A 65 -8.108 -7.171 -5.038 1.00 0.00 C ATOM 953 C GLY A 65 -8.569 -5.725 -5.120 1.00 0.00 C ATOM 954 O GLY A 65 -9.748 -5.442 -5.182 1.00 0.00 O ATOM 0 H GLY A 65 -6.019 -6.777 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.070 -7.611 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.817 -7.760 -4.456 1.00 0.00 H new ATOM 958 N TYR A 66 -7.644 -4.805 -5.119 1.00 0.00 N ATOM 959 CA TYR A 66 -8.027 -3.371 -5.185 1.00 0.00 C ATOM 960 C TYR A 66 -7.081 -2.604 -6.113 1.00 0.00 C ATOM 961 O TYR A 66 -6.046 -2.133 -5.684 1.00 0.00 O ATOM 962 CB TYR A 66 -7.896 -2.872 -3.745 1.00 0.00 C ATOM 963 CG TYR A 66 -8.579 -3.847 -2.817 1.00 0.00 C ATOM 964 CD1 TYR A 66 -9.930 -4.149 -3.013 1.00 0.00 C ATOM 965 CD2 TYR A 66 -7.871 -4.450 -1.768 1.00 0.00 C ATOM 966 CE1 TYR A 66 -10.577 -5.053 -2.165 1.00 0.00 C ATOM 967 CE2 TYR A 66 -8.519 -5.354 -0.921 1.00 0.00 C ATOM 968 CZ TYR A 66 -9.871 -5.657 -1.119 1.00 0.00 C ATOM 969 OH TYR A 66 -10.509 -6.549 -0.282 1.00 0.00 O ATOM 0 H TYR A 66 -6.641 -4.986 -5.075 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.032 -3.227 -5.582 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.844 -2.772 -3.477 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.345 -1.884 -3.648 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.475 -3.683 -3.821 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.828 -4.217 -1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.621 -5.285 -2.317 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.975 -5.819 -0.112 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.976 -7.368 -0.209 1.00 0.00 H new ATOM 979 N PRO A 67 -7.469 -2.492 -7.359 1.00 0.00 N ATOM 980 CA PRO A 67 -6.643 -1.763 -8.346 1.00 0.00 C ATOM 981 C PRO A 67 -6.363 -0.351 -7.831 1.00 0.00 C ATOM 982 O PRO A 67 -7.169 0.546 -7.979 1.00 0.00 O ATOM 983 CB PRO A 67 -7.542 -1.744 -9.587 1.00 0.00 C ATOM 984 CG PRO A 67 -8.796 -2.594 -9.299 1.00 0.00 C ATOM 985 CD PRO A 67 -8.743 -3.075 -7.843 1.00 0.00 C ATOM 0 HA PRO A 67 -5.669 -2.212 -8.543 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.827 -0.721 -9.832 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.006 -2.141 -10.449 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.698 -2.006 -9.470 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.838 -3.447 -9.977 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.597 -2.719 -7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.743 -4.163 -7.775 1.00 0.00 H new ATOM 993 N SER A 68 -5.236 -0.155 -7.206 1.00 0.00 N ATOM 994 CA SER A 68 -4.918 1.194 -6.655 1.00 0.00 C ATOM 995 C SER A 68 -3.820 1.880 -7.462 1.00 0.00 C ATOM 996 O SER A 68 -3.566 1.555 -8.605 1.00 0.00 O ATOM 997 CB SER A 68 -4.436 0.931 -5.230 1.00 0.00 C ATOM 998 OG SER A 68 -3.038 0.672 -5.249 1.00 0.00 O ATOM 0 H SER A 68 -4.522 -0.867 -7.053 1.00 0.00 H new ATOM 0 HA SER A 68 -5.784 1.855 -6.692 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.650 1.792 -4.596 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.970 0.081 -4.804 1.00 0.00 H new ATOM 0 HG SER A 68 -2.603 1.174 -4.529 1.00 0.00 H new ATOM 1004 N SER A 69 -3.175 2.836 -6.861 1.00 0.00 N ATOM 1005 CA SER A 69 -2.094 3.577 -7.553 1.00 0.00 C ATOM 1006 C SER A 69 -1.093 4.076 -6.517 1.00 0.00 C ATOM 1007 O SER A 69 -1.099 3.649 -5.381 1.00 0.00 O ATOM 1008 CB SER A 69 -2.792 4.749 -8.239 1.00 0.00 C ATOM 1009 OG SER A 69 -2.352 4.835 -9.588 1.00 0.00 O ATOM 0 H SER A 69 -3.356 3.139 -5.904 1.00 0.00 H new ATOM 0 HA SER A 69 -1.548 2.964 -8.271 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.873 4.613 -8.205 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.571 5.677 -7.713 1.00 0.00 H new ATOM 0 HG SER A 69 -2.800 5.586 -10.031 1.00 0.00 H new ATOM 1015 N VAL A 70 -0.223 4.955 -6.898 1.00 0.00 N ATOM 1016 CA VAL A 70 0.788 5.454 -5.932 1.00 0.00 C ATOM 1017 C VAL A 70 0.997 6.960 -6.096 1.00 0.00 C ATOM 1018 O VAL A 70 0.889 7.489 -7.185 1.00 0.00 O ATOM 1019 CB VAL A 70 2.020 4.656 -6.317 1.00 0.00 C ATOM 1020 CG1 VAL A 70 2.685 5.281 -7.548 1.00 0.00 C ATOM 1021 CG2 VAL A 70 3.011 4.629 -5.156 1.00 0.00 C ATOM 0 H VAL A 70 -0.165 5.352 -7.836 1.00 0.00 H new ATOM 0 HA VAL A 70 0.511 5.327 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 70 1.718 3.635 -6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.568 4.702 -7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.982 5.280 -8.381 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.978 6.306 -7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.891 4.054 -5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.308 5.648 -4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.542 4.166 -4.288 1.00 0.00 H new ATOM 1031 N LYS A 71 1.270 7.669 -5.026 1.00 0.00 N ATOM 1032 CA LYS A 71 1.446 9.144 -5.166 1.00 0.00 C ATOM 1033 C LYS A 71 2.206 9.716 -3.971 1.00 0.00 C ATOM 1034 O LYS A 71 1.792 10.681 -3.361 1.00 0.00 O ATOM 1035 CB LYS A 71 0.024 9.693 -5.208 1.00 0.00 C ATOM 1036 CG LYS A 71 -0.834 8.928 -4.200 1.00 0.00 C ATOM 1037 CD LYS A 71 -1.733 9.905 -3.454 1.00 0.00 C ATOM 1038 CE LYS A 71 -2.922 9.154 -2.848 1.00 0.00 C ATOM 1039 NZ LYS A 71 -3.337 9.973 -1.674 1.00 0.00 N ATOM 0 H LYS A 71 1.376 7.297 -4.082 1.00 0.00 H new ATOM 0 HA LYS A 71 2.023 9.409 -6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.024 10.757 -4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.390 9.589 -6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.439 8.181 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.197 8.393 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.168 10.406 -2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.088 10.679 -4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.735 9.055 -3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.639 8.146 -2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.149 9.522 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.546 10.044 -1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.607 10.925 -1.993 1.00 0.00 H new ATOM 1053 N GLN A 72 3.314 9.125 -3.644 1.00 0.00 N ATOM 1054 CA GLN A 72 4.128 9.619 -2.495 1.00 0.00 C ATOM 1055 C GLN A 72 4.131 11.151 -2.459 1.00 0.00 C ATOM 1056 O GLN A 72 4.044 11.698 -1.372 1.00 0.00 O ATOM 1057 CB GLN A 72 5.537 9.091 -2.762 1.00 0.00 C ATOM 1058 CG GLN A 72 6.141 9.827 -3.961 1.00 0.00 C ATOM 1059 CD GLN A 72 6.757 11.147 -3.495 1.00 0.00 C ATOM 1060 OE1 GLN A 72 7.153 11.278 -2.354 1.00 0.00 O ATOM 1061 NE2 GLN A 72 6.854 12.139 -4.337 1.00 0.00 N ATOM 1062 OXT GLN A 72 4.220 11.748 -3.518 1.00 0.00 O ATOM 0 H GLN A 72 3.699 8.312 -4.125 1.00 0.00 H new ATOM 0 HA GLN A 72 3.734 9.283 -1.536 1.00 0.00 H new ATOM 0 HB2 GLN A 72 6.163 9.234 -1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.504 8.019 -2.959 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.901 9.207 -4.436 1.00 0.00 H new ATOM 0 HG3 GLN A 72 5.372 10.017 -4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.522 12.029 -5.295 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.262 13.024 -4.037 1.00 0.00 H new