USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 481 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 21 HIS : no HE2:sc= -0.201 K(o=-0.2,f=-0.99) USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -158:sc= -0.15 (180deg=-0.697) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= -0.0451 (180deg=-0.203) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 89:sc= 1.26 USER MOD Single : A 11 GLN : amide:sc= 0.785 K(o=0.78,f=-5.7!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= -0.0871 (180deg=-0.534) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 170:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -40:sc= 0.4 USER MOD Single : A 31 SER OG : rot 71:sc= 1.26 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.457 X(o=-0.46,f=0) USER MOD Single : A 43 THR OG1 : rot 71:sc= 1.09 USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= -0.0315 (180deg=-0.196) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -0.02 (180deg=-0.206) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 51 HIS : no HD1:sc= -0.199 X(o=-0.2,f=0.032) USER MOD Single : A 53 THR OG1 : rot -24:sc= 1.16 USER MOD Single : A 54 THR OG1 : rot 78:sc= 0.619 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc=-0.00612 X(o=-0.0061,f=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 65.667 16.813 -14.280 1.00 0.00 N ATOM 2 CA ALA A 1 64.305 16.277 -14.138 1.00 0.00 C ATOM 3 C ALA A 1 64.244 14.847 -14.649 1.00 0.00 C ATOM 4 O ALA A 1 64.708 14.553 -15.753 1.00 0.00 O ATOM 5 CB ALA A 1 63.313 17.152 -14.884 1.00 0.00 C ATOM 0 H1 ALA A 1 65.694 17.791 -13.927 1.00 0.00 H new ATOM 0 H2 ALA A 1 66.329 16.228 -13.731 1.00 0.00 H new ATOM 0 H3 ALA A 1 65.943 16.799 -15.283 1.00 0.00 H new ATOM 0 HA ALA A 1 64.039 16.277 -13.081 1.00 0.00 H new ATOM 0 HB1 ALA A 1 62.309 16.743 -14.770 1.00 0.00 H new ATOM 0 HB2 ALA A 1 63.341 18.163 -14.477 1.00 0.00 H new ATOM 0 HB3 ALA A 1 63.576 17.179 -15.942 1.00 0.00 H new ATOM 13 N SER A 2 63.689 13.959 -13.842 1.00 0.00 N ATOM 14 CA SER A 2 63.580 12.560 -14.205 1.00 0.00 C ATOM 15 C SER A 2 62.230 12.280 -14.867 1.00 0.00 C ATOM 16 O SER A 2 61.187 12.654 -14.336 1.00 0.00 O ATOM 17 CB SER A 2 63.745 11.689 -12.957 1.00 0.00 C ATOM 18 OG SER A 2 64.943 12.014 -12.263 1.00 0.00 O ATOM 0 H SER A 2 63.305 14.186 -12.925 1.00 0.00 H new ATOM 0 HA SER A 2 64.369 12.320 -14.918 1.00 0.00 H new ATOM 0 HB2 SER A 2 62.889 11.828 -12.297 1.00 0.00 H new ATOM 0 HB3 SER A 2 63.760 10.637 -13.243 1.00 0.00 H new ATOM 0 HG SER A 2 65.025 11.446 -11.469 1.00 0.00 H new ATOM 24 N MET A 3 62.257 11.626 -16.022 1.00 0.00 N ATOM 25 CA MET A 3 61.029 11.300 -16.754 1.00 0.00 C ATOM 26 C MET A 3 60.276 10.155 -16.082 1.00 0.00 C ATOM 27 O MET A 3 59.114 9.892 -16.393 1.00 0.00 O ATOM 28 CB MET A 3 61.344 10.925 -18.207 1.00 0.00 C ATOM 29 CG MET A 3 62.192 9.668 -18.356 1.00 0.00 C ATOM 30 SD MET A 3 62.405 9.170 -20.076 1.00 0.00 S ATOM 31 CE MET A 3 60.719 8.751 -20.517 1.00 0.00 C ATOM 0 H MET A 3 63.114 11.309 -16.476 1.00 0.00 H new ATOM 0 HA MET A 3 60.397 12.188 -16.745 1.00 0.00 H new ATOM 0 HB2 MET A 3 60.407 10.784 -18.746 1.00 0.00 H new ATOM 0 HB3 MET A 3 61.862 11.758 -18.682 1.00 0.00 H new ATOM 0 HG2 MET A 3 63.171 9.840 -17.908 1.00 0.00 H new ATOM 0 HG3 MET A 3 61.727 8.853 -17.801 1.00 0.00 H new ATOM 0 HE1 MET A 3 60.724 8.078 -21.374 1.00 0.00 H new ATOM 0 HE2 MET A 3 60.233 8.261 -19.673 1.00 0.00 H new ATOM 0 HE3 MET A 3 60.173 9.659 -20.772 1.00 0.00 H new ATOM 41 N GLY A 4 60.940 9.476 -15.174 1.00 0.00 N ATOM 42 CA GLY A 4 60.323 8.375 -14.483 1.00 0.00 C ATOM 43 C GLY A 4 61.115 7.111 -14.651 1.00 0.00 C ATOM 44 O GLY A 4 62.286 7.157 -15.026 1.00 0.00 O ATOM 0 H GLY A 4 61.903 9.668 -14.900 1.00 0.00 H new ATOM 0 HA2 GLY A 4 60.234 8.612 -13.423 1.00 0.00 H new ATOM 0 HA3 GLY A 4 59.312 8.226 -14.862 1.00 0.00 H new ATOM 48 N LYS A 5 60.496 5.986 -14.386 1.00 0.00 N ATOM 49 CA LYS A 5 61.171 4.709 -14.507 1.00 0.00 C ATOM 50 C LYS A 5 60.388 3.782 -15.414 1.00 0.00 C ATOM 51 O LYS A 5 59.209 4.025 -15.699 1.00 0.00 O ATOM 52 CB LYS A 5 61.341 4.064 -13.135 1.00 0.00 C ATOM 53 CG LYS A 5 62.103 4.921 -12.138 1.00 0.00 C ATOM 54 CD LYS A 5 62.197 4.247 -10.778 1.00 0.00 C ATOM 55 CE LYS A 5 60.818 3.995 -10.173 1.00 0.00 C ATOM 56 NZ LYS A 5 60.022 5.246 -10.048 1.00 0.00 N ATOM 0 H LYS A 5 59.524 5.925 -14.084 1.00 0.00 H new ATOM 0 HA LYS A 5 62.156 4.883 -14.941 1.00 0.00 H new ATOM 0 HB2 LYS A 5 60.356 3.839 -12.726 1.00 0.00 H new ATOM 0 HB3 LYS A 5 61.862 3.114 -13.254 1.00 0.00 H new ATOM 0 HG2 LYS A 5 63.106 5.117 -12.518 1.00 0.00 H new ATOM 0 HG3 LYS A 5 61.607 5.886 -12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 5 62.729 3.301 -10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 5 62.782 4.872 -10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 5 60.276 3.282 -10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 5 60.932 3.539 -9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 59.178 5.064 -9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 60.601 5.982 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 59.731 5.568 -10.993 1.00 0.00 H new ATOM 70 N SER A 6 61.040 2.730 -15.869 1.00 0.00 N ATOM 71 CA SER A 6 60.403 1.746 -16.716 1.00 0.00 C ATOM 72 C SER A 6 59.341 0.998 -15.914 1.00 0.00 C ATOM 73 O SER A 6 58.242 0.734 -16.404 1.00 0.00 O ATOM 74 CB SER A 6 61.450 0.774 -17.269 1.00 0.00 C ATOM 75 OG SER A 6 60.922 -0.006 -18.327 1.00 0.00 O ATOM 0 H SER A 6 62.020 2.536 -15.663 1.00 0.00 H new ATOM 0 HA SER A 6 59.922 2.244 -17.558 1.00 0.00 H new ATOM 0 HB2 SER A 6 62.316 1.333 -17.624 1.00 0.00 H new ATOM 0 HB3 SER A 6 61.798 0.119 -16.471 1.00 0.00 H new ATOM 0 HG SER A 6 61.613 -0.615 -18.661 1.00 0.00 H new ATOM 81 N LYS A 7 59.674 0.676 -14.677 1.00 0.00 N ATOM 82 CA LYS A 7 58.745 0.031 -13.785 1.00 0.00 C ATOM 83 C LYS A 7 58.658 0.835 -12.499 1.00 0.00 C ATOM 84 O LYS A 7 59.669 1.352 -12.014 1.00 0.00 O ATOM 85 CB LYS A 7 59.173 -1.411 -13.500 1.00 0.00 C ATOM 86 CG LYS A 7 58.140 -2.216 -12.722 1.00 0.00 C ATOM 87 CD LYS A 7 58.551 -3.676 -12.576 1.00 0.00 C ATOM 88 CE LYS A 7 58.612 -4.384 -13.923 1.00 0.00 C ATOM 89 NZ LYS A 7 58.875 -5.840 -13.774 1.00 0.00 N ATOM 0 H LYS A 7 60.592 0.856 -14.270 1.00 0.00 H new ATOM 0 HA LYS A 7 57.762 -0.009 -14.254 1.00 0.00 H new ATOM 0 HB2 LYS A 7 59.375 -1.914 -14.446 1.00 0.00 H new ATOM 0 HB3 LYS A 7 60.108 -1.399 -12.940 1.00 0.00 H new ATOM 0 HG2 LYS A 7 58.006 -1.776 -11.734 1.00 0.00 H new ATOM 0 HG3 LYS A 7 57.177 -2.159 -13.230 1.00 0.00 H new ATOM 0 HD2 LYS A 7 59.526 -3.732 -12.091 1.00 0.00 H new ATOM 0 HD3 LYS A 7 57.842 -4.190 -11.927 1.00 0.00 H new ATOM 0 HE2 LYS A 7 57.671 -4.238 -14.453 1.00 0.00 H new ATOM 0 HE3 LYS A 7 59.395 -3.935 -14.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 58.909 -6.285 -14.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 59.785 -5.981 -13.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 58.115 -6.274 -13.213 1.00 0.00 H new ATOM 103 N GLU A 8 57.464 0.954 -11.962 1.00 0.00 N ATOM 104 CA GLU A 8 57.242 1.750 -10.768 1.00 0.00 C ATOM 105 C GLU A 8 57.701 1.041 -9.502 1.00 0.00 C ATOM 106 O GLU A 8 58.182 -0.097 -9.539 1.00 0.00 O ATOM 107 CB GLU A 8 55.755 2.151 -10.652 1.00 0.00 C ATOM 108 CG GLU A 8 54.749 0.991 -10.772 1.00 0.00 C ATOM 109 CD GLU A 8 54.892 -0.060 -9.679 1.00 0.00 C ATOM 110 OE1 GLU A 8 54.590 0.241 -8.507 1.00 0.00 O ATOM 111 OE2 GLU A 8 55.319 -1.184 -9.990 1.00 0.00 O ATOM 0 H GLU A 8 56.625 0.508 -12.333 1.00 0.00 H new ATOM 0 HA GLU A 8 57.848 2.650 -10.869 1.00 0.00 H new ATOM 0 HB2 GLU A 8 55.603 2.644 -9.692 1.00 0.00 H new ATOM 0 HB3 GLU A 8 55.532 2.885 -11.426 1.00 0.00 H new ATOM 0 HG2 GLU A 8 53.737 1.395 -10.745 1.00 0.00 H new ATOM 0 HG3 GLU A 8 54.875 0.512 -11.743 1.00 0.00 H new ATOM 118 N ILE A 9 57.557 1.729 -8.393 1.00 0.00 N ATOM 119 CA ILE A 9 57.856 1.181 -7.097 1.00 0.00 C ATOM 120 C ILE A 9 56.870 1.755 -6.068 1.00 0.00 C ATOM 121 O ILE A 9 57.178 2.677 -5.311 1.00 0.00 O ATOM 122 CB ILE A 9 59.345 1.425 -6.682 1.00 0.00 C ATOM 123 CG1 ILE A 9 59.625 0.873 -5.274 1.00 0.00 C ATOM 124 CG2 ILE A 9 59.718 2.902 -6.780 1.00 0.00 C ATOM 125 CD1 ILE A 9 61.067 1.023 -4.830 1.00 0.00 C ATOM 0 H ILE A 9 57.226 2.693 -8.369 1.00 0.00 H new ATOM 0 HA ILE A 9 57.735 0.099 -7.137 1.00 0.00 H new ATOM 0 HB ILE A 9 59.975 0.881 -7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 9 58.980 1.384 -4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 9 59.355 -0.183 -5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 9 60.759 3.035 -6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 9 59.586 3.243 -7.807 1.00 0.00 H new ATOM 0 HG23 ILE A 9 59.076 3.484 -6.119 1.00 0.00 H new ATOM 0 HD11 ILE A 9 61.184 0.610 -3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 9 61.718 0.488 -5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 9 61.337 2.079 -4.821 1.00 0.00 H new ATOM 137 N SER A 10 55.659 1.224 -6.089 1.00 0.00 N ATOM 138 CA SER A 10 54.592 1.684 -5.208 1.00 0.00 C ATOM 139 C SER A 10 54.732 1.119 -3.791 1.00 0.00 C ATOM 140 O SER A 10 53.763 1.080 -3.039 1.00 0.00 O ATOM 141 CB SER A 10 53.231 1.301 -5.795 1.00 0.00 C ATOM 142 OG SER A 10 53.079 1.821 -7.111 1.00 0.00 O ATOM 0 H SER A 10 55.386 0.465 -6.713 1.00 0.00 H new ATOM 0 HA SER A 10 54.669 2.769 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 10 53.132 0.216 -5.815 1.00 0.00 H new ATOM 0 HB3 SER A 10 52.435 1.682 -5.155 1.00 0.00 H new ATOM 0 HG SER A 10 53.427 1.175 -7.760 1.00 0.00 H new ATOM 148 N GLN A 11 55.940 0.710 -3.430 1.00 0.00 N ATOM 149 CA GLN A 11 56.204 0.168 -2.102 1.00 0.00 C ATOM 150 C GLN A 11 55.870 1.189 -1.025 1.00 0.00 C ATOM 151 O GLN A 11 55.190 0.878 -0.052 1.00 0.00 O ATOM 152 CB GLN A 11 57.664 -0.266 -1.980 1.00 0.00 C ATOM 153 CG GLN A 11 58.025 -1.459 -2.846 1.00 0.00 C ATOM 154 CD GLN A 11 57.194 -2.677 -2.514 1.00 0.00 C ATOM 155 OE1 GLN A 11 56.139 -2.904 -3.102 1.00 0.00 O ATOM 156 NE2 GLN A 11 57.651 -3.456 -1.560 1.00 0.00 N ATOM 0 H GLN A 11 56.757 0.743 -4.040 1.00 0.00 H new ATOM 0 HA GLN A 11 55.566 -0.704 -1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 11 58.306 0.573 -2.248 1.00 0.00 H new ATOM 0 HB3 GLN A 11 57.875 -0.508 -0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 11 57.884 -1.200 -3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 11 59.081 -1.695 -2.715 1.00 0.00 H new ATOM 0 HE21 GLN A 11 58.532 -3.232 -1.097 1.00 0.00 H new ATOM 0 HE22 GLN A 11 57.125 -4.285 -1.283 1.00 0.00 H new ATOM 165 N ASP A 12 56.335 2.416 -1.220 1.00 0.00 N ATOM 166 CA ASP A 12 56.077 3.495 -0.269 1.00 0.00 C ATOM 167 C ASP A 12 54.585 3.764 -0.157 1.00 0.00 C ATOM 168 O ASP A 12 54.064 3.987 0.931 1.00 0.00 O ATOM 169 CB ASP A 12 56.802 4.776 -0.696 1.00 0.00 C ATOM 170 CG ASP A 12 58.307 4.631 -0.677 1.00 0.00 C ATOM 171 OD1 ASP A 12 58.874 4.111 -1.664 1.00 0.00 O ATOM 172 OD2 ASP A 12 58.936 5.041 0.316 1.00 0.00 O ATOM 0 H ASP A 12 56.893 2.691 -2.028 1.00 0.00 H new ATOM 0 HA ASP A 12 56.455 3.183 0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 12 56.481 5.052 -1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 12 56.512 5.591 -0.033 1.00 0.00 H new ATOM 177 N LEU A 13 53.901 3.711 -1.290 1.00 0.00 N ATOM 178 CA LEU A 13 52.469 3.966 -1.341 1.00 0.00 C ATOM 179 C LEU A 13 51.696 2.830 -0.658 1.00 0.00 C ATOM 180 O LEU A 13 50.766 3.077 0.108 1.00 0.00 O ATOM 181 CB LEU A 13 52.020 4.140 -2.814 1.00 0.00 C ATOM 182 CG LEU A 13 50.629 4.775 -3.067 1.00 0.00 C ATOM 183 CD1 LEU A 13 49.497 3.808 -2.741 1.00 0.00 C ATOM 184 CD2 LEU A 13 50.473 6.067 -2.275 1.00 0.00 C ATOM 0 H LEU A 13 54.319 3.492 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 13 52.251 4.888 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 13 52.766 4.750 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 13 52.033 3.159 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 13 50.567 5.007 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 13 48.539 4.292 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 13 49.586 2.920 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 13 49.555 3.520 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 13 49.489 6.495 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 13 50.575 5.856 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 13 51.243 6.776 -2.579 1.00 0.00 H new ATOM 196 N ARG A 14 52.095 1.593 -0.927 1.00 0.00 N ATOM 197 CA ARG A 14 51.424 0.434 -0.352 1.00 0.00 C ATOM 198 C ARG A 14 51.613 0.372 1.162 1.00 0.00 C ATOM 199 O ARG A 14 50.693 0.018 1.895 1.00 0.00 O ATOM 200 CB ARG A 14 51.888 -0.861 -1.028 1.00 0.00 C ATOM 201 CG ARG A 14 51.337 -2.129 -0.386 1.00 0.00 C ATOM 202 CD ARG A 14 51.318 -3.292 -1.367 1.00 0.00 C ATOM 203 NE ARG A 14 52.601 -3.471 -2.053 1.00 0.00 N ATOM 204 CZ ARG A 14 52.756 -4.201 -3.160 1.00 0.00 C ATOM 205 NH1 ARG A 14 51.722 -4.860 -3.672 1.00 0.00 N ATOM 206 NH2 ARG A 14 53.943 -4.280 -3.750 1.00 0.00 N ATOM 0 H ARG A 14 52.879 1.367 -1.539 1.00 0.00 H new ATOM 0 HA ARG A 14 50.356 0.543 -0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 14 51.590 -0.838 -2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 14 52.977 -0.899 -1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 14 51.945 -2.393 0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 14 50.327 -1.943 -0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 14 51.064 -4.208 -0.834 1.00 0.00 H new ATOM 0 HD3 ARG A 14 50.535 -3.126 -2.107 1.00 0.00 H new ATOM 0 HE ARG A 14 53.423 -3.011 -1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 14 50.809 -4.808 -3.219 1.00 0.00 H new ATOM 0 HH12 ARG A 14 51.841 -5.418 -4.518 1.00 0.00 H new ATOM 0 HH21 ARG A 14 54.742 -3.782 -3.358 1.00 0.00 H new ATOM 0 HH22 ARG A 14 54.056 -4.839 -4.596 1.00 0.00 H new ATOM 220 N LYS A 15 52.793 0.729 1.634 1.00 0.00 N ATOM 221 CA LYS A 15 53.035 0.757 3.067 1.00 0.00 C ATOM 222 C LYS A 15 52.260 1.908 3.702 1.00 0.00 C ATOM 223 O LYS A 15 51.887 1.855 4.876 1.00 0.00 O ATOM 224 CB LYS A 15 54.529 0.895 3.376 1.00 0.00 C ATOM 225 CG LYS A 15 55.377 -0.270 2.877 1.00 0.00 C ATOM 226 CD LYS A 15 56.821 -0.163 3.359 1.00 0.00 C ATOM 227 CE LYS A 15 57.491 1.117 2.872 1.00 0.00 C ATOM 228 NZ LYS A 15 58.875 1.249 3.393 1.00 0.00 N ATOM 0 H LYS A 15 53.589 1.000 1.057 1.00 0.00 H new ATOM 0 HA LYS A 15 52.691 -0.187 3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 15 54.898 1.818 2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 15 54.659 0.990 4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 15 54.946 -1.209 3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 15 55.358 -0.294 1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 15 56.843 -0.192 4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 15 57.386 -1.025 3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 15 57.511 1.125 1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 15 56.901 1.978 3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 59.296 2.132 3.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 58.854 1.267 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 59.445 0.441 3.072 1.00 0.00 H new ATOM 242 N LYS A 16 52.005 2.938 2.906 1.00 0.00 N ATOM 243 CA LYS A 16 51.289 4.111 3.364 1.00 0.00 C ATOM 244 C LYS A 16 49.786 3.842 3.471 1.00 0.00 C ATOM 245 O LYS A 16 49.158 4.217 4.454 1.00 0.00 O ATOM 246 CB LYS A 16 51.548 5.292 2.429 1.00 0.00 C ATOM 247 CG LYS A 16 50.974 6.603 2.926 1.00 0.00 C ATOM 248 CD LYS A 16 51.315 7.746 1.992 1.00 0.00 C ATOM 249 CE LYS A 16 50.927 9.082 2.599 1.00 0.00 C ATOM 250 NZ LYS A 16 51.681 9.360 3.849 1.00 0.00 N ATOM 0 H LYS A 16 52.290 2.980 1.927 1.00 0.00 H new ATOM 0 HA LYS A 16 51.658 4.358 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 16 52.623 5.406 2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 16 51.124 5.068 1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 16 49.891 6.516 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 16 51.362 6.817 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 16 52.384 7.737 1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 16 50.797 7.610 1.042 1.00 0.00 H new ATOM 0 HE2 LYS A 16 51.114 9.877 1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 16 49.858 9.088 2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 51.686 10.384 4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 51.227 8.869 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 52.659 9.022 3.747 1.00 0.00 H new ATOM 264 N ILE A 17 49.215 3.184 2.460 1.00 0.00 N ATOM 265 CA ILE A 17 47.781 2.884 2.471 1.00 0.00 C ATOM 266 C ILE A 17 47.418 2.013 3.681 1.00 0.00 C ATOM 267 O ILE A 17 46.378 2.208 4.311 1.00 0.00 O ATOM 268 CB ILE A 17 47.296 2.214 1.138 1.00 0.00 C ATOM 269 CG1 ILE A 17 45.774 2.030 1.133 1.00 0.00 C ATOM 270 CG2 ILE A 17 47.983 0.884 0.899 1.00 0.00 C ATOM 271 CD1 ILE A 17 44.998 3.326 1.127 1.00 0.00 C ATOM 0 H ILE A 17 49.714 2.853 1.635 1.00 0.00 H new ATOM 0 HA ILE A 17 47.259 3.837 2.554 1.00 0.00 H new ATOM 0 HB ILE A 17 47.568 2.887 0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 17 45.492 1.446 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 17 45.486 1.450 2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 17 47.622 0.450 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 17 49.060 1.037 0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 17 47.762 0.207 1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 17 43.930 3.110 1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 17 45.249 3.904 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 17 45.255 3.900 0.237 1.00 0.00 H new ATOM 283 N VAL A 18 48.299 1.076 4.022 1.00 0.00 N ATOM 284 CA VAL A 18 48.090 0.227 5.184 1.00 0.00 C ATOM 285 C VAL A 18 48.235 1.053 6.461 1.00 0.00 C ATOM 286 O VAL A 18 47.488 0.873 7.425 1.00 0.00 O ATOM 287 CB VAL A 18 49.090 -0.955 5.218 1.00 0.00 C ATOM 288 CG1 VAL A 18 48.829 -1.848 6.421 1.00 0.00 C ATOM 289 CG2 VAL A 18 49.009 -1.759 3.930 1.00 0.00 C ATOM 0 H VAL A 18 49.161 0.888 3.510 1.00 0.00 H new ATOM 0 HA VAL A 18 47.083 -0.184 5.117 1.00 0.00 H new ATOM 0 HB VAL A 18 50.097 -0.547 5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 18 49.543 -2.672 6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 18 48.941 -1.267 7.336 1.00 0.00 H new ATOM 0 HG13 VAL A 18 47.816 -2.246 6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 18 49.719 -2.585 3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 18 48.000 -2.153 3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 18 49.250 -1.116 3.084 1.00 0.00 H new ATOM 299 N ASP A 19 49.186 1.979 6.441 1.00 0.00 N ATOM 300 CA ASP A 19 49.438 2.867 7.574 1.00 0.00 C ATOM 301 C ASP A 19 48.208 3.715 7.875 1.00 0.00 C ATOM 302 O ASP A 19 47.806 3.865 9.034 1.00 0.00 O ATOM 303 CB ASP A 19 50.640 3.767 7.283 1.00 0.00 C ATOM 304 CG ASP A 19 50.911 4.757 8.390 1.00 0.00 C ATOM 305 OD1 ASP A 19 51.439 4.349 9.438 1.00 0.00 O ATOM 306 OD2 ASP A 19 50.608 5.951 8.212 1.00 0.00 O ATOM 0 H ASP A 19 49.803 2.137 5.644 1.00 0.00 H new ATOM 0 HA ASP A 19 49.659 2.255 8.449 1.00 0.00 H new ATOM 0 HB2 ASP A 19 51.524 3.147 7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 19 50.466 4.308 6.353 1.00 0.00 H new ATOM 311 N LEU A 20 47.601 4.251 6.825 1.00 0.00 N ATOM 312 CA LEU A 20 46.397 5.063 6.962 1.00 0.00 C ATOM 313 C LEU A 20 45.210 4.217 7.412 1.00 0.00 C ATOM 314 O LEU A 20 44.272 4.729 8.028 1.00 0.00 O ATOM 315 CB LEU A 20 46.068 5.800 5.657 1.00 0.00 C ATOM 316 CG LEU A 20 46.730 7.179 5.464 1.00 0.00 C ATOM 317 CD1 LEU A 20 46.271 8.153 6.535 1.00 0.00 C ATOM 318 CD2 LEU A 20 48.244 7.067 5.461 1.00 0.00 C ATOM 0 H LEU A 20 47.924 4.138 5.864 1.00 0.00 H new ATOM 0 HA LEU A 20 46.595 5.810 7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 20 46.357 5.162 4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 20 44.987 5.929 5.600 1.00 0.00 H new ATOM 0 HG LEU A 20 46.418 7.562 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 20 46.751 9.119 6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 20 45.189 8.272 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 20 46.543 7.768 7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 20 48.682 8.056 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 20 48.580 6.651 6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 20 48.559 6.414 4.647 1.00 0.00 H new ATOM 330 N HIS A 21 45.250 2.921 7.115 1.00 0.00 N ATOM 331 CA HIS A 21 44.198 2.018 7.566 1.00 0.00 C ATOM 332 C HIS A 21 44.286 1.816 9.066 1.00 0.00 C ATOM 333 O HIS A 21 43.292 1.522 9.721 1.00 0.00 O ATOM 334 CB HIS A 21 44.239 0.675 6.832 1.00 0.00 C ATOM 335 CG HIS A 21 43.433 0.668 5.569 1.00 0.00 C ATOM 336 ND1 HIS A 21 42.057 0.760 5.561 1.00 0.00 N ATOM 337 CD2 HIS A 21 43.807 0.609 4.271 1.00 0.00 C ATOM 338 CE1 HIS A 21 41.623 0.764 4.321 1.00 0.00 C ATOM 339 NE2 HIS A 21 42.663 0.674 3.516 1.00 0.00 N ATOM 0 H HIS A 21 45.990 2.478 6.571 1.00 0.00 H new ATOM 0 HA HIS A 21 43.241 2.482 7.328 1.00 0.00 H new ATOM 0 HB2 HIS A 21 45.274 0.429 6.596 1.00 0.00 H new ATOM 0 HB3 HIS A 21 43.869 -0.106 7.496 1.00 0.00 H new ATOM 0 HD1 HIS A 21 41.467 0.816 6.391 1.00 0.00 H new ATOM 0 HD2 HIS A 21 44.817 0.526 3.898 1.00 0.00 H new ATOM 0 HE1 HIS A 21 40.590 0.830 4.013 1.00 0.00 H new ATOM 347 N LYS A 22 45.482 1.988 9.606 1.00 0.00 N ATOM 348 CA LYS A 22 45.687 1.905 11.042 1.00 0.00 C ATOM 349 C LYS A 22 45.279 3.223 11.692 1.00 0.00 C ATOM 350 O LYS A 22 45.118 3.314 12.909 1.00 0.00 O ATOM 351 CB LYS A 22 47.146 1.578 11.364 1.00 0.00 C ATOM 352 CG LYS A 22 47.612 0.227 10.839 1.00 0.00 C ATOM 353 CD LYS A 22 46.793 -0.913 11.428 1.00 0.00 C ATOM 354 CE LYS A 22 47.327 -2.266 10.988 1.00 0.00 C ATOM 355 NZ LYS A 22 46.511 -3.381 11.529 1.00 0.00 N ATOM 0 H LYS A 22 46.327 2.186 9.070 1.00 0.00 H new ATOM 0 HA LYS A 22 45.068 1.102 11.441 1.00 0.00 H new ATOM 0 HB2 LYS A 22 47.783 2.357 10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 22 47.282 1.602 12.445 1.00 0.00 H new ATOM 0 HG2 LYS A 22 47.532 0.210 9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 22 48.665 0.084 11.083 1.00 0.00 H new ATOM 0 HD2 LYS A 22 46.810 -0.850 12.516 1.00 0.00 H new ATOM 0 HD3 LYS A 22 45.753 -0.813 11.119 1.00 0.00 H new ATOM 0 HE2 LYS A 22 47.336 -2.317 9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 22 48.359 -2.376 11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 46.906 -4.288 11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 46.523 -3.347 12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 45.532 -3.290 11.191 1.00 0.00 H new ATOM 369 N SER A 23 45.128 4.245 10.864 1.00 0.00 N ATOM 370 CA SER A 23 44.673 5.541 11.315 1.00 0.00 C ATOM 371 C SER A 23 43.144 5.530 11.378 1.00 0.00 C ATOM 372 O SER A 23 42.542 5.952 12.369 1.00 0.00 O ATOM 373 CB SER A 23 45.179 6.638 10.362 1.00 0.00 C ATOM 374 OG SER A 23 44.808 7.930 10.806 1.00 0.00 O ATOM 0 H SER A 23 45.318 4.195 9.863 1.00 0.00 H new ATOM 0 HA SER A 23 45.070 5.754 12.308 1.00 0.00 H new ATOM 0 HB2 SER A 23 46.264 6.578 10.282 1.00 0.00 H new ATOM 0 HB3 SER A 23 44.776 6.467 9.364 1.00 0.00 H new ATOM 0 HG SER A 23 45.277 8.606 10.273 1.00 0.00 H new ATOM 380 N GLY A 24 42.524 5.033 10.311 1.00 0.00 N ATOM 381 CA GLY A 24 41.083 4.886 10.279 1.00 0.00 C ATOM 382 C GLY A 24 40.347 6.158 9.914 1.00 0.00 C ATOM 383 O GLY A 24 39.774 6.261 8.831 1.00 0.00 O ATOM 0 H GLY A 24 43.001 4.728 9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 24 40.822 4.108 9.562 1.00 0.00 H new ATOM 0 HA3 GLY A 24 40.740 4.546 11.256 1.00 0.00 H new ATOM 387 N SER A 25 40.376 7.130 10.803 1.00 0.00 N ATOM 388 CA SER A 25 39.635 8.372 10.613 1.00 0.00 C ATOM 389 C SER A 25 40.228 9.248 9.497 1.00 0.00 C ATOM 390 O SER A 25 39.578 10.171 9.015 1.00 0.00 O ATOM 391 CB SER A 25 39.578 9.143 11.928 1.00 0.00 C ATOM 392 OG SER A 25 39.037 8.329 12.963 1.00 0.00 O ATOM 0 H SER A 25 40.908 7.088 11.673 1.00 0.00 H new ATOM 0 HA SER A 25 38.625 8.108 10.299 1.00 0.00 H new ATOM 0 HB2 SER A 25 40.579 9.475 12.205 1.00 0.00 H new ATOM 0 HB3 SER A 25 38.968 10.038 11.805 1.00 0.00 H new ATOM 0 HG SER A 25 39.009 8.839 13.799 1.00 0.00 H new ATOM 398 N SER A 26 41.448 8.943 9.082 1.00 0.00 N ATOM 399 CA SER A 26 42.104 9.714 8.034 1.00 0.00 C ATOM 400 C SER A 26 41.970 9.007 6.674 1.00 0.00 C ATOM 401 O SER A 26 42.582 9.420 5.674 1.00 0.00 O ATOM 402 CB SER A 26 43.580 9.927 8.391 1.00 0.00 C ATOM 403 OG SER A 26 44.196 10.863 7.520 1.00 0.00 O ATOM 0 H SER A 26 42.003 8.171 9.452 1.00 0.00 H new ATOM 0 HA SER A 26 41.617 10.686 7.956 1.00 0.00 H new ATOM 0 HB2 SER A 26 43.660 10.279 9.420 1.00 0.00 H new ATOM 0 HB3 SER A 26 44.109 8.976 8.338 1.00 0.00 H new ATOM 0 HG SER A 26 43.881 10.714 6.604 1.00 0.00 H new ATOM 409 N LEU A 27 41.151 7.961 6.639 1.00 0.00 N ATOM 410 CA LEU A 27 40.949 7.181 5.424 1.00 0.00 C ATOM 411 C LEU A 27 40.208 8.008 4.373 1.00 0.00 C ATOM 412 O LEU A 27 40.516 7.936 3.186 1.00 0.00 O ATOM 413 CB LEU A 27 40.163 5.898 5.745 1.00 0.00 C ATOM 414 CG LEU A 27 40.619 4.611 5.032 1.00 0.00 C ATOM 415 CD1 LEU A 27 40.444 4.718 3.526 1.00 0.00 C ATOM 416 CD2 LEU A 27 42.063 4.289 5.381 1.00 0.00 C ATOM 0 H LEU A 27 40.614 7.633 7.442 1.00 0.00 H new ATOM 0 HA LEU A 27 41.924 6.906 5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 27 40.214 5.728 6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 27 39.115 6.070 5.499 1.00 0.00 H new ATOM 0 HG LEU A 27 39.986 3.796 5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 27 40.775 3.793 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 27 39.393 4.888 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 27 41.038 5.550 3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 27 42.367 3.377 4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 27 42.705 5.112 5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 27 42.154 4.147 6.458 1.00 0.00 H new ATOM 428 N GLY A 28 39.245 8.802 4.822 1.00 0.00 N ATOM 429 CA GLY A 28 38.472 9.627 3.910 1.00 0.00 C ATOM 430 C GLY A 28 39.334 10.613 3.153 1.00 0.00 C ATOM 431 O GLY A 28 39.130 10.834 1.956 1.00 0.00 O ATOM 0 H GLY A 28 38.984 8.891 5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 28 37.948 8.987 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 28 37.711 10.170 4.471 1.00 0.00 H new ATOM 435 N ALA A 29 40.309 11.186 3.848 1.00 0.00 N ATOM 436 CA ALA A 29 41.224 12.149 3.257 1.00 0.00 C ATOM 437 C ALA A 29 41.897 11.580 2.019 1.00 0.00 C ATOM 438 O ALA A 29 41.802 12.151 0.932 1.00 0.00 O ATOM 439 CB ALA A 29 42.272 12.574 4.275 1.00 0.00 C ATOM 0 H ALA A 29 40.486 10.996 4.834 1.00 0.00 H new ATOM 0 HA ALA A 29 40.645 13.022 2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 29 42.951 13.295 3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 29 41.781 13.031 5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 29 42.837 11.701 4.602 1.00 0.00 H new ATOM 445 N ILE A 30 42.554 10.436 2.174 1.00 0.00 N ATOM 446 CA ILE A 30 43.258 9.817 1.056 1.00 0.00 C ATOM 447 C ILE A 30 42.286 9.286 -0.002 1.00 0.00 C ATOM 448 O ILE A 30 42.600 9.293 -1.196 1.00 0.00 O ATOM 449 CB ILE A 30 44.201 8.679 1.513 1.00 0.00 C ATOM 450 CG1 ILE A 30 43.426 7.606 2.283 1.00 0.00 C ATOM 451 CG2 ILE A 30 45.336 9.242 2.361 1.00 0.00 C ATOM 452 CD1 ILE A 30 44.252 6.400 2.651 1.00 0.00 C ATOM 0 H ILE A 30 42.614 9.922 3.053 1.00 0.00 H new ATOM 0 HA ILE A 30 43.866 10.605 0.612 1.00 0.00 H new ATOM 0 HB ILE A 30 44.631 8.210 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 30 43.021 8.048 3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 30 42.577 7.282 1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 30 45.992 8.430 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 30 45.906 9.962 1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 30 44.923 9.736 3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 30 43.632 5.686 3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 30 44.636 5.932 1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 30 45.086 6.709 3.281 1.00 0.00 H new ATOM 464 N SER A 31 41.105 8.851 0.435 1.00 0.00 N ATOM 465 CA SER A 31 40.099 8.319 -0.480 1.00 0.00 C ATOM 466 C SER A 31 39.610 9.395 -1.447 1.00 0.00 C ATOM 467 O SER A 31 39.384 9.126 -2.624 1.00 0.00 O ATOM 468 CB SER A 31 38.916 7.737 0.297 1.00 0.00 C ATOM 469 OG SER A 31 39.332 6.684 1.151 1.00 0.00 O ATOM 0 H SER A 31 40.823 8.857 1.415 1.00 0.00 H new ATOM 0 HA SER A 31 40.566 7.523 -1.059 1.00 0.00 H new ATOM 0 HB2 SER A 31 38.443 8.522 0.887 1.00 0.00 H new ATOM 0 HB3 SER A 31 38.165 7.367 -0.401 1.00 0.00 H new ATOM 0 HG SER A 31 39.854 7.052 1.894 1.00 0.00 H new ATOM 475 N LYS A 32 39.459 10.609 -0.946 1.00 0.00 N ATOM 476 CA LYS A 32 39.007 11.723 -1.762 1.00 0.00 C ATOM 477 C LYS A 32 40.174 12.337 -2.533 1.00 0.00 C ATOM 478 O LYS A 32 40.055 12.648 -3.720 1.00 0.00 O ATOM 479 CB LYS A 32 38.309 12.778 -0.869 1.00 0.00 C ATOM 480 CG LYS A 32 37.813 14.034 -1.602 1.00 0.00 C ATOM 481 CD LYS A 32 38.893 15.117 -1.700 1.00 0.00 C ATOM 482 CE LYS A 32 39.252 15.680 -0.329 1.00 0.00 C ATOM 483 NZ LYS A 32 40.327 16.699 -0.406 1.00 0.00 N ATOM 0 H LYS A 32 39.644 10.849 0.028 1.00 0.00 H new ATOM 0 HA LYS A 32 38.286 11.357 -2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 32 37.460 12.307 -0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 32 39.003 13.084 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 32 37.484 13.760 -2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 32 36.945 14.437 -1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 32 39.785 14.700 -2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 32 38.543 15.923 -2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 32 38.365 16.123 0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 32 39.570 14.867 0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 40.538 17.054 0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.183 16.271 -0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 40.015 17.488 -1.007 1.00 0.00 H new ATOM 497 N ARG A 33 41.299 12.490 -1.857 1.00 0.00 N ATOM 498 CA ARG A 33 42.477 13.111 -2.446 1.00 0.00 C ATOM 499 C ARG A 33 43.032 12.304 -3.617 1.00 0.00 C ATOM 500 O ARG A 33 43.097 12.800 -4.738 1.00 0.00 O ATOM 501 CB ARG A 33 43.551 13.313 -1.387 1.00 0.00 C ATOM 502 CG ARG A 33 44.833 13.928 -1.911 1.00 0.00 C ATOM 503 CD ARG A 33 45.822 14.144 -0.791 1.00 0.00 C ATOM 504 NE ARG A 33 47.127 14.561 -1.284 1.00 0.00 N ATOM 505 CZ ARG A 33 48.053 15.150 -0.534 1.00 0.00 C ATOM 506 NH1 ARG A 33 47.792 15.454 0.730 1.00 0.00 N ATOM 507 NH2 ARG A 33 49.237 15.454 -1.054 1.00 0.00 N ATOM 0 H ARG A 33 41.424 12.190 -0.890 1.00 0.00 H new ATOM 0 HA ARG A 33 42.170 14.080 -2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 33 43.152 13.950 -0.598 1.00 0.00 H new ATOM 0 HB3 ARG A 33 43.783 12.350 -0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 33 45.271 13.277 -2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 33 44.613 14.879 -2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 33 45.435 14.900 -0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 33 45.929 13.222 -0.220 1.00 0.00 H new ATOM 0 HE ARG A 33 47.344 14.391 -2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 33 46.879 15.236 1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 33 48.504 15.906 1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 33 49.437 15.235 -2.030 1.00 0.00 H new ATOM 0 HH22 ARG A 33 49.946 15.906 -0.477 1.00 0.00 H new ATOM 521 N LEU A 34 43.420 11.065 -3.360 1.00 0.00 N ATOM 522 CA LEU A 34 44.008 10.228 -4.403 1.00 0.00 C ATOM 523 C LEU A 34 42.929 9.535 -5.211 1.00 0.00 C ATOM 524 O LEU A 34 43.208 8.966 -6.270 1.00 0.00 O ATOM 525 CB LEU A 34 44.966 9.174 -3.810 1.00 0.00 C ATOM 526 CG LEU A 34 46.279 9.697 -3.199 1.00 0.00 C ATOM 527 CD1 LEU A 34 46.040 10.351 -1.847 1.00 0.00 C ATOM 528 CD2 LEU A 34 47.291 8.568 -3.074 1.00 0.00 C ATOM 0 H LEU A 34 43.341 10.616 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 34 44.580 10.885 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 34 44.429 8.622 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 34 45.217 8.462 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 34 46.681 10.457 -3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 34 46.987 10.709 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 34 45.355 11.191 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 34 45.606 9.622 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 34 48.214 8.953 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 34 46.887 7.786 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 34 47.499 8.154 -4.061 1.00 0.00 H new ATOM 540 N LYS A 35 41.698 9.607 -4.710 1.00 0.00 N ATOM 541 CA LYS A 35 40.549 8.950 -5.322 1.00 0.00 C ATOM 542 C LYS A 35 40.792 7.451 -5.433 1.00 0.00 C ATOM 543 O LYS A 35 41.119 6.931 -6.505 1.00 0.00 O ATOM 544 CB LYS A 35 40.200 9.547 -6.693 1.00 0.00 C ATOM 545 CG LYS A 35 38.922 8.975 -7.286 1.00 0.00 C ATOM 546 CD LYS A 35 38.690 9.451 -8.705 1.00 0.00 C ATOM 547 CE LYS A 35 37.428 8.835 -9.278 1.00 0.00 C ATOM 548 NZ LYS A 35 37.209 9.210 -10.696 1.00 0.00 N ATOM 0 H LYS A 35 41.470 10.127 -3.862 1.00 0.00 H new ATOM 0 HA LYS A 35 39.691 9.123 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 35 40.096 10.628 -6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 35 41.025 9.367 -7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 35 38.972 7.886 -7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 35 38.074 9.262 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 35 38.609 10.538 -8.721 1.00 0.00 H new ATOM 0 HD3 LYS A 35 39.545 9.186 -9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 35 37.488 7.750 -9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 35 36.570 9.152 -8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 36.335 8.765 -11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 37.125 10.244 -10.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 38.013 8.885 -11.269 1.00 0.00 H new ATOM 562 N VAL A 36 40.668 6.770 -4.317 1.00 0.00 N ATOM 563 CA VAL A 36 40.885 5.339 -4.276 1.00 0.00 C ATOM 564 C VAL A 36 39.560 4.612 -4.118 1.00 0.00 C ATOM 565 O VAL A 36 38.940 4.666 -3.054 1.00 0.00 O ATOM 566 CB VAL A 36 41.831 4.939 -3.115 1.00 0.00 C ATOM 567 CG1 VAL A 36 42.162 3.453 -3.177 1.00 0.00 C ATOM 568 CG2 VAL A 36 43.103 5.775 -3.143 1.00 0.00 C ATOM 0 H VAL A 36 40.417 7.185 -3.420 1.00 0.00 H new ATOM 0 HA VAL A 36 41.355 5.052 -5.217 1.00 0.00 H new ATOM 0 HB VAL A 36 41.316 5.135 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 36 42.827 3.194 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 36 41.243 2.872 -3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 36 42.653 3.229 -4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 36 43.752 5.477 -2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 36 43.621 5.617 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 36 42.848 6.830 -3.041 1.00 0.00 H new ATOM 578 N PRO A 37 39.090 3.946 -5.186 1.00 0.00 N ATOM 579 CA PRO A 37 37.837 3.186 -5.156 1.00 0.00 C ATOM 580 C PRO A 37 37.882 2.086 -4.099 1.00 0.00 C ATOM 581 O PRO A 37 38.909 1.419 -3.930 1.00 0.00 O ATOM 582 CB PRO A 37 37.756 2.573 -6.562 1.00 0.00 C ATOM 583 CG PRO A 37 38.630 3.436 -7.402 1.00 0.00 C ATOM 584 CD PRO A 37 39.740 3.886 -6.505 1.00 0.00 C ATOM 0 HA PRO A 37 36.978 3.807 -4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.101 1.539 -6.564 1.00 0.00 H new ATOM 0 HB3 PRO A 37 36.731 2.567 -6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.018 2.884 -8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.076 4.288 -7.796 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.575 3.186 -6.513 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.135 4.856 -6.806 1.00 0.00 H new ATOM 592 N ARG A 38 36.768 1.890 -3.398 1.00 0.00 N ATOM 593 CA ARG A 38 36.698 0.895 -2.328 1.00 0.00 C ATOM 594 C ARG A 38 36.956 -0.516 -2.854 1.00 0.00 C ATOM 595 O ARG A 38 37.431 -1.379 -2.119 1.00 0.00 O ATOM 596 CB ARG A 38 35.361 0.969 -1.581 1.00 0.00 C ATOM 597 CG ARG A 38 34.145 0.731 -2.450 1.00 0.00 C ATOM 598 CD ARG A 38 32.868 0.784 -1.636 1.00 0.00 C ATOM 599 NE ARG A 38 31.689 0.536 -2.461 1.00 0.00 N ATOM 600 CZ ARG A 38 30.445 0.450 -1.994 1.00 0.00 C ATOM 601 NH1 ARG A 38 30.206 0.585 -0.693 1.00 0.00 N ATOM 602 NH2 ARG A 38 29.437 0.221 -2.829 1.00 0.00 N ATOM 0 H ARG A 38 35.901 2.406 -3.551 1.00 0.00 H new ATOM 0 HA ARG A 38 37.490 1.131 -1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 38 35.367 0.234 -0.777 1.00 0.00 H new ATOM 0 HB3 ARG A 38 35.273 1.950 -1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 38 34.107 1.482 -3.239 1.00 0.00 H new ATOM 0 HG3 ARG A 38 34.228 -0.240 -2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 38 32.915 0.044 -0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 38 32.780 1.761 -1.161 1.00 0.00 H new ATOM 0 HE ARG A 38 31.828 0.421 -3.465 1.00 0.00 H new ATOM 0 HH11 ARG A 38 30.977 0.755 -0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 38 29.251 0.518 -0.340 1.00 0.00 H new ATOM 0 HH21 ARG A 38 29.616 0.111 -3.827 1.00 0.00 H new ATOM 0 HH22 ARG A 38 28.484 0.155 -2.472 1.00 0.00 H new ATOM 616 N SER A 39 36.653 -0.741 -4.128 1.00 0.00 N ATOM 617 CA SER A 39 36.929 -2.021 -4.755 1.00 0.00 C ATOM 618 C SER A 39 38.439 -2.282 -4.756 1.00 0.00 C ATOM 619 O SER A 39 38.894 -3.409 -4.532 1.00 0.00 O ATOM 620 CB SER A 39 36.373 -2.038 -6.181 1.00 0.00 C ATOM 621 OG SER A 39 34.972 -1.790 -6.177 1.00 0.00 O ATOM 0 H SER A 39 36.217 -0.053 -4.742 1.00 0.00 H new ATOM 0 HA SER A 39 36.440 -2.814 -4.189 1.00 0.00 H new ATOM 0 HB2 SER A 39 36.879 -1.284 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 39 36.575 -3.004 -6.644 1.00 0.00 H new ATOM 0 HG SER A 39 34.635 -1.803 -7.097 1.00 0.00 H new ATOM 627 N SER A 40 39.211 -1.220 -4.975 1.00 0.00 N ATOM 628 CA SER A 40 40.656 -1.308 -4.949 1.00 0.00 C ATOM 629 C SER A 40 41.127 -1.453 -3.505 1.00 0.00 C ATOM 630 O SER A 40 42.071 -2.193 -3.216 1.00 0.00 O ATOM 631 CB SER A 40 41.281 -0.063 -5.598 1.00 0.00 C ATOM 632 OG SER A 40 42.693 -0.173 -5.675 1.00 0.00 O ATOM 0 H SER A 40 38.850 -0.287 -5.173 1.00 0.00 H new ATOM 0 HA SER A 40 40.974 -2.181 -5.519 1.00 0.00 H new ATOM 0 HB2 SER A 40 40.870 0.073 -6.598 1.00 0.00 H new ATOM 0 HB3 SER A 40 41.014 0.823 -5.021 1.00 0.00 H new ATOM 0 HG SER A 40 43.062 0.633 -6.094 1.00 0.00 H new ATOM 638 N VAL A 41 40.443 -0.751 -2.599 1.00 0.00 N ATOM 639 CA VAL A 41 40.744 -0.825 -1.175 1.00 0.00 C ATOM 640 C VAL A 41 40.591 -2.259 -0.679 1.00 0.00 C ATOM 641 O VAL A 41 41.480 -2.793 -0.020 1.00 0.00 O ATOM 642 CB VAL A 41 39.819 0.108 -0.351 1.00 0.00 C ATOM 643 CG1 VAL A 41 40.091 -0.034 1.138 1.00 0.00 C ATOM 644 CG2 VAL A 41 39.996 1.555 -0.784 1.00 0.00 C ATOM 0 H VAL A 41 39.674 -0.123 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 41 41.774 -0.497 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 41 38.787 -0.189 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 41 39.430 0.631 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 41 39.911 -1.064 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 41 41.128 0.230 1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 41 39.339 2.194 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 41 41.032 1.857 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 41 39.745 1.652 -1.840 1.00 0.00 H new ATOM 654 N GLN A 42 39.463 -2.884 -1.027 1.00 0.00 N ATOM 655 CA GLN A 42 39.189 -4.270 -0.650 1.00 0.00 C ATOM 656 C GLN A 42 40.308 -5.189 -1.131 1.00 0.00 C ATOM 657 O GLN A 42 40.706 -6.126 -0.434 1.00 0.00 O ATOM 658 CB GLN A 42 37.857 -4.735 -1.249 1.00 0.00 C ATOM 659 CG GLN A 42 37.532 -6.192 -0.946 1.00 0.00 C ATOM 660 CD GLN A 42 36.368 -6.730 -1.755 1.00 0.00 C ATOM 661 OE1 GLN A 42 36.330 -7.917 -2.083 1.00 0.00 O ATOM 662 NE2 GLN A 42 35.415 -5.879 -2.076 1.00 0.00 N ATOM 0 H GLN A 42 38.721 -2.447 -1.573 1.00 0.00 H new ATOM 0 HA GLN A 42 39.131 -4.318 0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 42 37.055 -4.104 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 42 37.884 -4.594 -2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 42 38.414 -6.802 -1.142 1.00 0.00 H new ATOM 0 HG3 GLN A 42 37.305 -6.293 0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 42 35.483 -4.904 -1.785 1.00 0.00 H new ATOM 0 HE22 GLN A 42 34.609 -6.195 -2.615 1.00 0.00 H new ATOM 671 N THR A 43 40.819 -4.894 -2.312 1.00 0.00 N ATOM 672 CA THR A 43 41.866 -5.687 -2.918 1.00 0.00 C ATOM 673 C THR A 43 43.150 -5.667 -2.069 1.00 0.00 C ATOM 674 O THR A 43 43.770 -6.714 -1.836 1.00 0.00 O ATOM 675 CB THR A 43 42.173 -5.181 -4.349 1.00 0.00 C ATOM 676 OG1 THR A 43 40.958 -5.149 -5.123 1.00 0.00 O ATOM 677 CG2 THR A 43 43.185 -6.086 -5.043 1.00 0.00 C ATOM 0 H THR A 43 40.519 -4.099 -2.875 1.00 0.00 H new ATOM 0 HA THR A 43 41.509 -6.715 -2.972 1.00 0.00 H new ATOM 0 HB THR A 43 42.595 -4.179 -4.273 1.00 0.00 H new ATOM 0 HG1 THR A 43 40.381 -4.428 -4.796 1.00 0.00 H new ATOM 0 HG21 THR A 43 43.383 -5.708 -6.046 1.00 0.00 H new ATOM 0 HG22 THR A 43 44.113 -6.100 -4.471 1.00 0.00 H new ATOM 0 HG23 THR A 43 42.784 -7.097 -5.109 1.00 0.00 H new ATOM 685 N ILE A 44 43.533 -4.489 -1.587 1.00 0.00 N ATOM 686 CA ILE A 44 44.757 -4.368 -0.812 1.00 0.00 C ATOM 687 C ILE A 44 44.567 -4.762 0.658 1.00 0.00 C ATOM 688 O ILE A 44 45.448 -5.390 1.247 1.00 0.00 O ATOM 689 CB ILE A 44 45.416 -2.954 -0.937 1.00 0.00 C ATOM 690 CG1 ILE A 44 44.459 -1.825 -0.523 1.00 0.00 C ATOM 691 CG2 ILE A 44 45.919 -2.725 -2.352 1.00 0.00 C ATOM 692 CD1 ILE A 44 44.560 -1.433 0.937 1.00 0.00 C ATOM 0 H ILE A 44 43.020 -3.617 -1.718 1.00 0.00 H new ATOM 0 HA ILE A 44 45.450 -5.085 -1.252 1.00 0.00 H new ATOM 0 HB ILE A 44 46.260 -2.933 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 44 44.661 -0.948 -1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.436 -2.135 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 44 46.374 -1.737 -2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.660 -3.484 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 44 45.084 -2.789 -3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 44 43.853 -0.631 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 44 44.328 -2.295 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 44 45.572 -1.090 1.153 1.00 0.00 H new ATOM 704 N VAL A 45 43.408 -4.428 1.241 1.00 0.00 N ATOM 705 CA VAL A 45 43.163 -4.743 2.652 1.00 0.00 C ATOM 706 C VAL A 45 43.095 -6.236 2.894 1.00 0.00 C ATOM 707 O VAL A 45 43.625 -6.728 3.884 1.00 0.00 O ATOM 708 CB VAL A 45 41.890 -4.061 3.233 1.00 0.00 C ATOM 709 CG1 VAL A 45 42.048 -2.559 3.263 1.00 0.00 C ATOM 710 CG2 VAL A 45 40.652 -4.441 2.457 1.00 0.00 C ATOM 0 H VAL A 45 42.641 -3.950 0.768 1.00 0.00 H new ATOM 0 HA VAL A 45 44.022 -4.332 3.182 1.00 0.00 H new ATOM 0 HB VAL A 45 41.769 -4.420 4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 45 41.145 -2.106 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 45 42.902 -2.295 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 45 42.211 -2.190 2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 45 39.784 -3.946 2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 45 40.764 -4.131 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 45 40.513 -5.521 2.500 1.00 0.00 H new ATOM 720 N ARG A 46 42.462 -6.960 1.981 1.00 0.00 N ATOM 721 CA ARG A 46 42.328 -8.396 2.123 1.00 0.00 C ATOM 722 C ARG A 46 43.680 -9.073 1.996 1.00 0.00 C ATOM 723 O ARG A 46 43.975 -10.038 2.700 1.00 0.00 O ATOM 724 CB ARG A 46 41.355 -8.955 1.084 1.00 0.00 C ATOM 725 CG ARG A 46 41.100 -10.446 1.227 1.00 0.00 C ATOM 726 CD ARG A 46 40.110 -10.943 0.193 1.00 0.00 C ATOM 727 NE ARG A 46 39.820 -12.368 0.350 1.00 0.00 N ATOM 728 CZ ARG A 46 38.975 -13.053 -0.425 1.00 0.00 C ATOM 729 NH1 ARG A 46 38.339 -12.442 -1.423 1.00 0.00 N ATOM 730 NH2 ARG A 46 38.766 -14.346 -0.206 1.00 0.00 N ATOM 0 H ARG A 46 42.036 -6.575 1.138 1.00 0.00 H new ATOM 0 HA ARG A 46 41.928 -8.603 3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 46 40.407 -8.424 1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 46 41.748 -8.756 0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 46 42.040 -10.988 1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 46 40.720 -10.657 2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 46 39.184 -10.374 0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 46 40.508 -10.762 -0.806 1.00 0.00 H new ATOM 0 HE ARG A 46 40.294 -12.871 1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 46 38.497 -11.449 -1.596 1.00 0.00 H new ATOM 0 HH12 ARG A 46 37.694 -12.967 -2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 46 39.251 -14.819 0.556 1.00 0.00 H new ATOM 0 HH22 ARG A 46 38.120 -14.866 -0.800 1.00 0.00 H new ATOM 744 N LYS A 47 44.507 -8.540 1.116 1.00 0.00 N ATOM 745 CA LYS A 47 45.816 -9.103 0.867 1.00 0.00 C ATOM 746 C LYS A 47 46.738 -8.942 2.077 1.00 0.00 C ATOM 747 O LYS A 47 47.352 -9.916 2.531 1.00 0.00 O ATOM 748 CB LYS A 47 46.445 -8.461 -0.371 1.00 0.00 C ATOM 749 CG LYS A 47 47.758 -9.104 -0.798 1.00 0.00 C ATOM 750 CD LYS A 47 48.347 -8.428 -2.030 1.00 0.00 C ATOM 751 CE LYS A 47 47.425 -8.541 -3.240 1.00 0.00 C ATOM 752 NZ LYS A 47 47.108 -9.956 -3.579 1.00 0.00 N ATOM 0 H LYS A 47 44.291 -7.713 0.560 1.00 0.00 H new ATOM 0 HA LYS A 47 45.689 -10.171 0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 47 45.737 -8.519 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 47 46.617 -7.403 -0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 47 48.473 -9.049 0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 47 47.593 -10.161 -1.007 1.00 0.00 H new ATOM 0 HD2 LYS A 47 48.532 -7.376 -1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 47 49.311 -8.879 -2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 47 46.499 -8.001 -3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 47 47.895 -8.061 -4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 46.639 -9.994 -4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 47.987 -10.510 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 46.476 -10.353 -2.855 1.00 0.00 H new ATOM 766 N TYR A 48 46.826 -7.727 2.620 1.00 0.00 N ATOM 767 CA TYR A 48 47.732 -7.494 3.734 1.00 0.00 C ATOM 768 C TYR A 48 47.210 -8.097 5.032 1.00 0.00 C ATOM 769 O TYR A 48 47.993 -8.544 5.859 1.00 0.00 O ATOM 770 CB TYR A 48 48.106 -5.991 3.910 1.00 0.00 C ATOM 771 CG TYR A 48 47.076 -5.107 4.617 1.00 0.00 C ATOM 772 CD1 TYR A 48 46.875 -5.193 5.994 1.00 0.00 C ATOM 773 CD2 TYR A 48 46.334 -4.172 3.913 1.00 0.00 C ATOM 774 CE1 TYR A 48 45.963 -4.381 6.638 1.00 0.00 C ATOM 775 CE2 TYR A 48 45.419 -3.356 4.552 1.00 0.00 C ATOM 776 CZ TYR A 48 45.238 -3.464 5.913 1.00 0.00 C ATOM 777 OH TYR A 48 44.322 -2.653 6.551 1.00 0.00 O ATOM 0 H TYR A 48 46.295 -6.912 2.314 1.00 0.00 H new ATOM 0 HA TYR A 48 48.656 -8.014 3.480 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.042 -5.936 4.466 1.00 0.00 H new ATOM 0 HB3 TYR A 48 48.297 -5.569 2.923 1.00 0.00 H new ATOM 0 HD1 TYR A 48 47.444 -5.909 6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 48 46.473 -4.079 2.846 1.00 0.00 H new ATOM 0 HE1 TYR A 48 45.820 -4.465 7.705 1.00 0.00 H new ATOM 0 HE2 TYR A 48 44.848 -2.636 3.985 1.00 0.00 H new ATOM 0 HH TYR A 48 43.896 -2.062 5.896 1.00 0.00 H new ATOM 787 N LYS A 49 45.887 -8.140 5.205 1.00 0.00 N ATOM 788 CA LYS A 49 45.327 -8.675 6.441 1.00 0.00 C ATOM 789 C LYS A 49 45.494 -10.185 6.506 1.00 0.00 C ATOM 790 O LYS A 49 45.538 -10.761 7.589 1.00 0.00 O ATOM 791 CB LYS A 49 43.846 -8.279 6.623 1.00 0.00 C ATOM 792 CG LYS A 49 42.854 -9.074 5.782 1.00 0.00 C ATOM 793 CD LYS A 49 41.432 -8.552 5.971 1.00 0.00 C ATOM 794 CE LYS A 49 40.403 -9.420 5.255 1.00 0.00 C ATOM 795 NZ LYS A 49 40.340 -10.789 5.819 1.00 0.00 N ATOM 0 H LYS A 49 45.201 -7.819 4.522 1.00 0.00 H new ATOM 0 HA LYS A 49 45.886 -8.231 7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.582 -8.395 7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 49 43.737 -7.222 6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 49 43.131 -9.010 4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 49 42.898 -10.127 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 49 41.198 -8.516 7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 49 41.368 -7.531 5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 49 39.421 -8.953 5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 49 40.651 -9.476 4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 39.482 -11.267 5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 41.179 -11.326 5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 40.314 -10.736 6.857 1.00 0.00 H new ATOM 809 N HIS A 50 45.608 -10.822 5.342 1.00 0.00 N ATOM 810 CA HIS A 50 45.772 -12.269 5.282 1.00 0.00 C ATOM 811 C HIS A 50 47.190 -12.669 5.678 1.00 0.00 C ATOM 812 O HIS A 50 47.393 -13.637 6.406 1.00 0.00 O ATOM 813 CB HIS A 50 45.439 -12.801 3.883 1.00 0.00 C ATOM 814 CG HIS A 50 45.423 -14.299 3.800 1.00 0.00 C ATOM 815 ND1 HIS A 50 46.149 -15.016 2.872 1.00 0.00 N ATOM 816 CD2 HIS A 50 44.759 -15.214 4.539 1.00 0.00 C ATOM 817 CE1 HIS A 50 45.932 -16.303 3.044 1.00 0.00 C ATOM 818 NE2 HIS A 50 45.093 -16.453 4.051 1.00 0.00 N ATOM 0 H HIS A 50 45.590 -10.360 4.433 1.00 0.00 H new ATOM 0 HA HIS A 50 45.076 -12.715 5.992 1.00 0.00 H new ATOM 0 HB2 HIS A 50 44.465 -12.418 3.580 1.00 0.00 H new ATOM 0 HB3 HIS A 50 46.169 -12.414 3.172 1.00 0.00 H new ATOM 0 HD2 HIS A 50 44.089 -15.009 5.361 1.00 0.00 H new ATOM 0 HE1 HIS A 50 46.367 -17.101 2.460 1.00 0.00 H new ATOM 0 HE2 HIS A 50 44.749 -17.344 4.409 1.00 0.00 H new ATOM 826 N HIS A 51 48.166 -11.920 5.199 1.00 0.00 N ATOM 827 CA HIS A 51 49.560 -12.195 5.530 1.00 0.00 C ATOM 828 C HIS A 51 49.902 -11.619 6.889 1.00 0.00 C ATOM 829 O HIS A 51 50.608 -12.238 7.680 1.00 0.00 O ATOM 830 CB HIS A 51 50.508 -11.619 4.468 1.00 0.00 C ATOM 831 CG HIS A 51 50.480 -12.339 3.151 1.00 0.00 C ATOM 832 ND1 HIS A 51 51.353 -13.359 2.832 1.00 0.00 N ATOM 833 CD2 HIS A 51 49.690 -12.171 2.062 1.00 0.00 C ATOM 834 CE1 HIS A 51 51.106 -13.786 1.613 1.00 0.00 C ATOM 835 NE2 HIS A 51 50.101 -13.083 1.119 1.00 0.00 N ATOM 0 H HIS A 51 48.025 -11.120 4.582 1.00 0.00 H new ATOM 0 HA HIS A 51 49.689 -13.277 5.555 1.00 0.00 H new ATOM 0 HB2 HIS A 51 50.253 -10.573 4.301 1.00 0.00 H new ATOM 0 HB3 HIS A 51 51.526 -11.641 4.858 1.00 0.00 H new ATOM 0 HD2 HIS A 51 48.888 -11.455 1.955 1.00 0.00 H new ATOM 0 HE1 HIS A 51 51.635 -14.577 1.102 1.00 0.00 H new ATOM 0 HE2 HIS A 51 49.697 -13.199 0.190 1.00 0.00 H new ATOM 843 N GLY A 52 49.363 -10.449 7.170 1.00 0.00 N ATOM 844 CA GLY A 52 49.651 -9.772 8.408 1.00 0.00 C ATOM 845 C GLY A 52 48.821 -10.257 9.575 1.00 0.00 C ATOM 846 O GLY A 52 48.658 -9.536 10.555 1.00 0.00 O ATOM 0 H GLY A 52 48.722 -9.951 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 52 50.707 -9.902 8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 52 49.484 -8.703 8.274 1.00 0.00 H new ATOM 850 N THR A 53 48.283 -11.462 9.475 1.00 0.00 N ATOM 851 CA THR A 53 47.541 -12.037 10.578 1.00 0.00 C ATOM 852 C THR A 53 48.525 -12.471 11.660 1.00 0.00 C ATOM 853 O THR A 53 48.523 -11.945 12.779 1.00 0.00 O ATOM 854 CB THR A 53 46.717 -13.267 10.129 1.00 0.00 C ATOM 855 OG1 THR A 53 46.008 -12.971 8.921 1.00 0.00 O ATOM 856 CG2 THR A 53 45.723 -13.673 11.207 1.00 0.00 C ATOM 0 H THR A 53 48.347 -12.054 8.647 1.00 0.00 H new ATOM 0 HA THR A 53 46.851 -11.283 10.956 1.00 0.00 H new ATOM 0 HB THR A 53 47.408 -14.092 9.955 1.00 0.00 H new ATOM 0 HG1 THR A 53 45.874 -12.003 8.849 1.00 0.00 H new ATOM 0 HG21 THR A 53 45.154 -14.540 10.870 1.00 0.00 H new ATOM 0 HG22 THR A 53 46.260 -13.925 12.121 1.00 0.00 H new ATOM 0 HG23 THR A 53 45.041 -12.846 11.403 1.00 0.00 H new ATOM 864 N THR A 54 49.378 -13.413 11.301 1.00 0.00 N ATOM 865 CA THR A 54 50.393 -13.923 12.197 1.00 0.00 C ATOM 866 C THR A 54 51.742 -13.944 11.474 1.00 0.00 C ATOM 867 O THR A 54 52.698 -14.568 11.938 1.00 0.00 O ATOM 868 CB THR A 54 50.040 -15.362 12.640 1.00 0.00 C ATOM 869 OG1 THR A 54 48.613 -15.535 12.631 1.00 0.00 O ATOM 870 CG2 THR A 54 50.569 -15.646 14.038 1.00 0.00 C ATOM 0 H THR A 54 49.384 -13.845 10.377 1.00 0.00 H new ATOM 0 HA THR A 54 50.446 -13.278 13.074 1.00 0.00 H new ATOM 0 HB THR A 54 50.505 -16.058 11.941 1.00 0.00 H new ATOM 0 HG1 THR A 54 48.306 -15.671 11.710 1.00 0.00 H new ATOM 0 HG21 THR A 54 50.308 -16.664 14.326 1.00 0.00 H new ATOM 0 HG22 THR A 54 51.653 -15.533 14.047 1.00 0.00 H new ATOM 0 HG23 THR A 54 50.126 -14.944 14.744 1.00 0.00 H new ATOM 878 N GLN A 55 51.795 -13.245 10.321 1.00 0.00 N ATOM 879 CA GLN A 55 52.977 -13.201 9.441 1.00 0.00 C ATOM 880 C GLN A 55 53.100 -14.507 8.670 1.00 0.00 C ATOM 881 O GLN A 55 53.127 -14.516 7.439 1.00 0.00 O ATOM 882 CB GLN A 55 54.268 -12.886 10.214 1.00 0.00 C ATOM 883 CG GLN A 55 55.504 -12.791 9.335 1.00 0.00 C ATOM 884 CD GLN A 55 56.709 -12.275 10.088 1.00 0.00 C ATOM 885 OE1 GLN A 55 57.470 -13.046 10.672 1.00 0.00 O ATOM 886 NE2 GLN A 55 56.891 -10.972 10.084 1.00 0.00 N ATOM 0 H GLN A 55 51.012 -12.692 9.974 1.00 0.00 H new ATOM 0 HA GLN A 55 52.835 -12.385 8.733 1.00 0.00 H new ATOM 0 HB2 GLN A 55 54.140 -11.944 10.747 1.00 0.00 H new ATOM 0 HB3 GLN A 55 54.427 -13.659 10.966 1.00 0.00 H new ATOM 0 HG2 GLN A 55 55.730 -13.775 8.923 1.00 0.00 H new ATOM 0 HG3 GLN A 55 55.297 -12.132 8.492 1.00 0.00 H new ATOM 0 HE21 GLN A 55 56.237 -10.367 9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 55 57.686 -10.567 10.577 1.00 0.00 H new ATOM 895 N HIS A 56 53.158 -15.602 9.392 1.00 0.00 N ATOM 896 CA HIS A 56 53.183 -16.908 8.786 1.00 0.00 C ATOM 897 C HIS A 56 51.864 -17.603 9.082 1.00 0.00 C ATOM 898 O HIS A 56 51.773 -18.403 10.010 1.00 0.00 O ATOM 899 CB HIS A 56 54.365 -17.734 9.314 1.00 0.00 C ATOM 900 CG HIS A 56 54.607 -19.013 8.566 1.00 0.00 C ATOM 901 ND1 HIS A 56 55.630 -19.170 7.658 1.00 0.00 N ATOM 902 CD2 HIS A 56 53.960 -20.202 8.604 1.00 0.00 C ATOM 903 CE1 HIS A 56 55.602 -20.392 7.171 1.00 0.00 C ATOM 904 NE2 HIS A 56 54.599 -21.040 7.729 1.00 0.00 N ATOM 0 H HIS A 56 53.189 -15.610 10.411 1.00 0.00 H new ATOM 0 HA HIS A 56 53.313 -16.809 7.708 1.00 0.00 H new ATOM 0 HB2 HIS A 56 55.268 -17.125 9.270 1.00 0.00 H new ATOM 0 HB3 HIS A 56 54.189 -17.968 10.364 1.00 0.00 H new ATOM 0 HD2 HIS A 56 53.100 -20.444 9.211 1.00 0.00 H new ATOM 0 HE1 HIS A 56 56.285 -20.796 6.438 1.00 0.00 H new ATOM 0 HE2 HIS A 56 54.341 -22.008 7.540 1.00 0.00 H new ATOM 912 N HIS A 57 50.839 -17.245 8.308 1.00 0.00 N ATOM 913 CA HIS A 57 49.485 -17.788 8.469 1.00 0.00 C ATOM 914 C HIS A 57 48.863 -17.337 9.797 1.00 0.00 C ATOM 915 O HIS A 57 48.270 -16.236 9.834 1.00 0.00 O ATOM 916 CB HIS A 57 49.475 -19.327 8.344 1.00 0.00 C ATOM 917 CG HIS A 57 48.120 -19.949 8.536 1.00 0.00 C ATOM 918 ND1 HIS A 57 47.087 -19.795 7.638 1.00 0.00 N ATOM 919 CD2 HIS A 57 47.630 -20.720 9.536 1.00 0.00 C ATOM 920 CE1 HIS A 57 46.025 -20.440 8.072 1.00 0.00 C ATOM 921 NE2 HIS A 57 46.325 -21.013 9.222 1.00 0.00 N ATOM 0 H HIS A 57 50.922 -16.569 7.549 1.00 0.00 H new ATOM 0 HA HIS A 57 48.873 -17.389 7.660 1.00 0.00 H new ATOM 0 HB2 HIS A 57 49.854 -19.603 7.360 1.00 0.00 H new ATOM 0 HB3 HIS A 57 50.162 -19.745 9.079 1.00 0.00 H new ATOM 0 HD2 HIS A 57 48.165 -21.044 10.416 1.00 0.00 H new ATOM 0 HE1 HIS A 57 45.069 -20.492 7.571 1.00 0.00 H new ATOM 0 HE2 HIS A 57 45.692 -21.580 9.786 1.00 0.00 H new TER 929 HIS A 57