USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -125:sc= 1.17 (180deg=-0.0372) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 65:sc= 0.0298 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 12 MET CE :methyl 156:sc= -15.8! (180deg=-18.8!) USER MOD Single : A 13 THR OG1 : rot -59:sc= 0.63 USER MOD Single : A 20 THR OG1 : rot 69:sc= -1.95! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -84:sc= -1.33 USER MOD Single : A 27 LYS NZ :NH3+ 159:sc=-0.00661 (180deg=-0.685) USER MOD Single : A 32 SER OG : rot 144:sc= 0.613 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 141:sc= 0 (180deg=-0.0222) USER MOD Single : A 46 THR OG1 : rot 180:sc= -2.22! USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 64:sc= 0.105 USER MOD Single : A 55 GLN : amide:sc= -0.0794 K(o=-0.079,f=-0.81) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -93:sc= -2.44! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -100:sc= -4.78! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 140:sc= -6.04! USER MOD Single : A 69 SER OG : rot 34:sc= 0.0227 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.291 K(o=-0.29,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.464 2.127 0.378 1.00 0.00 N ATOM 2 CA ALA A 1 16.763 3.287 0.999 1.00 0.00 C ATOM 3 C ALA A 1 15.636 2.799 1.912 1.00 0.00 C ATOM 4 O ALA A 1 15.394 1.619 2.031 1.00 0.00 O ATOM 5 CB ALA A 1 16.194 4.085 -0.174 1.00 0.00 C ATOM 0 H1 ALA A 1 18.482 2.187 0.581 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.084 1.242 0.770 1.00 0.00 H new ATOM 0 H3 ALA A 1 17.315 2.142 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 1 17.432 3.889 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.662 4.958 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 1 17.008 4.409 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.506 3.458 -0.741 1.00 0.00 H new ATOM 13 N THR A 2 14.943 3.710 2.541 1.00 0.00 N ATOM 14 CA THR A 2 13.828 3.359 3.442 1.00 0.00 C ATOM 15 C THR A 2 12.811 4.487 3.360 1.00 0.00 C ATOM 16 O THR A 2 12.885 5.460 4.085 1.00 0.00 O ATOM 17 CB THR A 2 14.440 3.305 4.833 1.00 0.00 C ATOM 18 OG1 THR A 2 15.725 3.912 4.814 1.00 0.00 O ATOM 19 CG2 THR A 2 14.563 1.852 5.283 1.00 0.00 C ATOM 0 H THR A 2 15.116 4.712 2.459 1.00 0.00 H new ATOM 0 HA THR A 2 13.340 2.417 3.192 1.00 0.00 H new ATOM 0 HB THR A 2 13.799 3.844 5.530 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.116 3.877 5.712 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.002 1.816 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.575 1.393 5.305 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.201 1.308 4.586 1.00 0.00 H new ATOM 27 N GLN A 3 11.897 4.392 2.453 1.00 0.00 N ATOM 28 CA GLN A 3 10.907 5.498 2.285 1.00 0.00 C ATOM 29 C GLN A 3 9.470 4.995 2.374 1.00 0.00 C ATOM 30 O GLN A 3 9.166 3.862 2.062 1.00 0.00 O ATOM 31 CB GLN A 3 11.165 6.096 0.888 1.00 0.00 C ATOM 32 CG GLN A 3 11.935 5.108 0.000 1.00 0.00 C ATOM 33 CD GLN A 3 12.086 5.693 -1.406 1.00 0.00 C ATOM 34 OE1 GLN A 3 11.116 5.845 -2.121 1.00 0.00 O ATOM 35 NE2 GLN A 3 13.272 6.032 -1.835 1.00 0.00 N ATOM 0 H GLN A 3 11.784 3.603 1.817 1.00 0.00 H new ATOM 0 HA GLN A 3 11.028 6.235 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.216 6.351 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.732 7.022 0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.917 4.907 0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.406 4.156 -0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 3 14.087 5.905 -1.235 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.383 6.424 -2.770 1.00 0.00 H new ATOM 44 N THR A 4 8.584 5.855 2.794 1.00 0.00 N ATOM 45 CA THR A 4 7.154 5.479 2.909 1.00 0.00 C ATOM 46 C THR A 4 6.304 6.397 2.034 1.00 0.00 C ATOM 47 O THR A 4 6.654 7.532 1.779 1.00 0.00 O ATOM 48 CB THR A 4 6.777 5.675 4.385 1.00 0.00 C ATOM 49 OG1 THR A 4 5.476 6.239 4.464 1.00 0.00 O ATOM 50 CG2 THR A 4 7.772 6.602 5.088 1.00 0.00 C ATOM 0 H THR A 4 8.797 6.815 3.065 1.00 0.00 H new ATOM 0 HA THR A 4 6.985 4.452 2.585 1.00 0.00 H new ATOM 0 HB THR A 4 6.800 4.704 4.880 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.821 5.602 4.110 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.481 6.723 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.771 6.169 5.038 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.773 7.575 4.596 1.00 0.00 H new ATOM 58 N VAL A 5 5.185 5.916 1.586 1.00 0.00 N ATOM 59 CA VAL A 5 4.294 6.750 0.740 1.00 0.00 C ATOM 60 C VAL A 5 2.853 6.443 1.107 1.00 0.00 C ATOM 61 O VAL A 5 2.579 5.549 1.873 1.00 0.00 O ATOM 62 CB VAL A 5 4.589 6.319 -0.697 1.00 0.00 C ATOM 63 CG1 VAL A 5 5.989 6.789 -1.094 1.00 0.00 C ATOM 64 CG2 VAL A 5 4.515 4.793 -0.798 1.00 0.00 C ATOM 0 H VAL A 5 4.845 4.972 1.771 1.00 0.00 H new ATOM 0 HA VAL A 5 4.454 7.820 0.871 1.00 0.00 H new ATOM 0 HB VAL A 5 3.853 6.764 -1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.199 6.482 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.042 7.875 -1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.725 6.345 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.725 4.486 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.250 4.348 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.517 4.458 -0.516 1.00 0.00 H new ATOM 74 N THR A 6 1.928 7.152 0.556 1.00 0.00 N ATOM 75 CA THR A 6 0.511 6.861 0.866 1.00 0.00 C ATOM 76 C THR A 6 -0.099 6.223 -0.370 1.00 0.00 C ATOM 77 O THR A 6 0.445 6.323 -1.451 1.00 0.00 O ATOM 78 CB THR A 6 -0.134 8.213 1.172 1.00 0.00 C ATOM 79 OG1 THR A 6 -1.415 8.002 1.749 1.00 0.00 O ATOM 80 CG2 THR A 6 -0.280 9.017 -0.121 1.00 0.00 C ATOM 0 H THR A 6 2.087 7.921 -0.096 1.00 0.00 H new ATOM 0 HA THR A 6 0.373 6.184 1.709 1.00 0.00 H new ATOM 0 HB THR A 6 0.494 8.767 1.870 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.831 8.867 1.948 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.740 9.980 0.099 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.703 9.177 -0.563 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.908 8.467 -0.822 1.00 0.00 H new ATOM 88 N LEU A 7 -1.195 5.546 -0.244 1.00 0.00 N ATOM 89 CA LEU A 7 -1.758 4.905 -1.458 1.00 0.00 C ATOM 90 C LEU A 7 -3.238 5.212 -1.621 1.00 0.00 C ATOM 91 O LEU A 7 -3.996 5.252 -0.673 1.00 0.00 O ATOM 92 CB LEU A 7 -1.533 3.404 -1.268 1.00 0.00 C ATOM 93 CG LEU A 7 -0.476 2.937 -2.262 1.00 0.00 C ATOM 94 CD1 LEU A 7 0.749 3.832 -2.148 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.069 1.491 -1.964 1.00 0.00 C ATOM 0 H LEU A 7 -1.717 5.408 0.621 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.275 5.280 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.210 3.197 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.465 2.860 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.889 2.991 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.508 3.502 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.469 4.862 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.149 3.774 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.686 1.170 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.339 1.428 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.942 0.844 -2.043 1.00 0.00 H new ATOM 107 N ALA A 8 -3.645 5.414 -2.836 1.00 0.00 N ATOM 108 CA ALA A 8 -5.079 5.707 -3.111 1.00 0.00 C ATOM 109 C ALA A 8 -5.710 4.517 -3.834 1.00 0.00 C ATOM 110 O ALA A 8 -5.526 4.333 -5.020 1.00 0.00 O ATOM 111 CB ALA A 8 -5.070 6.944 -4.009 1.00 0.00 C ATOM 0 H ALA A 8 -3.044 5.389 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.656 5.879 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.095 7.222 -4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.586 7.769 -3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.523 6.724 -4.926 1.00 0.00 H new ATOM 117 N VAL A 9 -6.440 3.700 -3.129 1.00 0.00 N ATOM 118 CA VAL A 9 -7.067 2.512 -3.786 1.00 0.00 C ATOM 119 C VAL A 9 -8.598 2.647 -3.826 1.00 0.00 C ATOM 120 O VAL A 9 -9.288 2.062 -3.017 1.00 0.00 O ATOM 121 CB VAL A 9 -6.651 1.321 -2.921 1.00 0.00 C ATOM 122 CG1 VAL A 9 -7.273 1.447 -1.529 1.00 0.00 C ATOM 123 CG2 VAL A 9 -7.136 0.030 -3.575 1.00 0.00 C ATOM 0 H VAL A 9 -6.631 3.799 -2.132 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.745 2.402 -4.822 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.565 1.304 -2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.973 0.596 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.931 2.369 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.359 1.466 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.842 -0.822 -2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.222 0.054 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.691 -0.065 -4.566 1.00 0.00 H new ATOM 133 N PRO A 10 -9.080 3.418 -4.776 1.00 0.00 N ATOM 134 CA PRO A 10 -10.542 3.635 -4.927 1.00 0.00 C ATOM 135 C PRO A 10 -11.245 2.350 -5.378 1.00 0.00 C ATOM 136 O PRO A 10 -12.453 2.306 -5.502 1.00 0.00 O ATOM 137 CB PRO A 10 -10.609 4.697 -6.028 1.00 0.00 C ATOM 138 CG PRO A 10 -9.196 4.895 -6.607 1.00 0.00 C ATOM 139 CD PRO A 10 -8.198 4.118 -5.740 1.00 0.00 C ATOM 0 HA PRO A 10 -11.032 3.931 -3.999 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.299 4.386 -6.812 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.988 5.636 -5.625 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.157 4.542 -7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.939 5.954 -6.623 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.608 3.418 -6.331 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.495 4.782 -5.237 1.00 0.00 H new ATOM 147 N GLY A 11 -10.506 1.303 -5.628 1.00 0.00 N ATOM 148 CA GLY A 11 -11.148 0.035 -6.072 1.00 0.00 C ATOM 149 C GLY A 11 -12.191 -0.393 -5.040 1.00 0.00 C ATOM 150 O GLY A 11 -13.051 -1.209 -5.311 1.00 0.00 O ATOM 0 H GLY A 11 -9.490 1.272 -5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.619 0.174 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.396 -0.745 -6.190 1.00 0.00 H new ATOM 154 N MET A 12 -12.119 0.149 -3.855 1.00 0.00 N ATOM 155 CA MET A 12 -13.101 -0.225 -2.796 1.00 0.00 C ATOM 156 C MET A 12 -13.245 0.919 -1.786 1.00 0.00 C ATOM 157 O MET A 12 -12.734 2.003 -1.987 1.00 0.00 O ATOM 158 CB MET A 12 -12.549 -1.481 -2.089 1.00 0.00 C ATOM 159 CG MET A 12 -11.202 -1.946 -2.682 1.00 0.00 C ATOM 160 SD MET A 12 -9.899 -0.714 -2.390 1.00 0.00 S ATOM 161 CE MET A 12 -10.387 -0.211 -0.725 1.00 0.00 C ATOM 0 H MET A 12 -11.421 0.837 -3.573 1.00 0.00 H new ATOM 0 HA MET A 12 -14.082 -0.420 -3.229 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.422 -1.271 -1.027 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.276 -2.289 -2.169 1.00 0.00 H new ATOM 0 HG2 MET A 12 -10.914 -2.898 -2.236 1.00 0.00 H new ATOM 0 HG3 MET A 12 -11.312 -2.117 -3.753 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.523 0.198 -0.201 1.00 0.00 H new ATOM 0 HE2 MET A 12 -11.166 0.548 -0.788 1.00 0.00 H new ATOM 0 HE3 MET A 12 -10.766 -1.076 -0.180 1.00 0.00 H new ATOM 171 N THR A 13 -13.935 0.684 -0.700 1.00 0.00 N ATOM 172 CA THR A 13 -14.107 1.760 0.323 1.00 0.00 C ATOM 173 C THR A 13 -14.949 1.257 1.501 1.00 0.00 C ATOM 174 O THR A 13 -15.980 1.816 1.816 1.00 0.00 O ATOM 175 CB THR A 13 -14.841 2.887 -0.403 1.00 0.00 C ATOM 176 OG1 THR A 13 -15.084 3.952 0.506 1.00 0.00 O ATOM 177 CG2 THR A 13 -16.171 2.361 -0.945 1.00 0.00 C ATOM 0 H THR A 13 -14.386 -0.203 -0.477 1.00 0.00 H new ATOM 0 HA THR A 13 -13.150 2.085 0.732 1.00 0.00 H new ATOM 0 HB THR A 13 -14.231 3.248 -1.231 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.624 3.625 1.256 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.696 3.164 -1.463 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.983 1.543 -1.640 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.784 2.001 -0.119 1.00 0.00 H new ATOM 185 N CYS A 14 -14.520 0.216 2.160 1.00 0.00 N ATOM 186 CA CYS A 14 -15.305 -0.305 3.321 1.00 0.00 C ATOM 187 C CYS A 14 -14.398 -1.167 4.198 1.00 0.00 C ATOM 188 O CYS A 14 -13.270 -1.428 3.856 1.00 0.00 O ATOM 189 CB CYS A 14 -16.471 -1.151 2.758 1.00 0.00 C ATOM 190 SG CYS A 14 -16.414 -1.276 0.944 1.00 0.00 S ATOM 0 H CYS A 14 -13.664 -0.296 1.948 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.696 0.512 3.928 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -16.435 -2.151 3.191 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.419 -0.707 3.061 1.00 0.00 H new ATOM 195 N ALA A 15 -14.874 -1.606 5.327 1.00 0.00 N ATOM 196 CA ALA A 15 -14.015 -2.444 6.213 1.00 0.00 C ATOM 197 C ALA A 15 -13.862 -3.855 5.637 1.00 0.00 C ATOM 198 O ALA A 15 -14.506 -4.785 6.080 1.00 0.00 O ATOM 199 CB ALA A 15 -14.755 -2.492 7.549 1.00 0.00 C ATOM 0 H ALA A 15 -15.815 -1.424 5.676 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.010 -2.035 6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.186 -3.092 8.259 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.869 -1.480 7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.739 -2.938 7.404 1.00 0.00 H new ATOM 205 N ALA A 16 -13.014 -4.031 4.657 1.00 0.00 N ATOM 206 CA ALA A 16 -12.837 -5.391 4.076 1.00 0.00 C ATOM 207 C ALA A 16 -11.817 -5.376 2.930 1.00 0.00 C ATOM 208 O ALA A 16 -10.889 -6.156 2.913 1.00 0.00 O ATOM 209 CB ALA A 16 -14.220 -5.780 3.554 1.00 0.00 C ATOM 0 H ALA A 16 -12.442 -3.298 4.238 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.458 -6.098 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.174 -6.774 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.932 -5.784 4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.541 -5.060 2.802 1.00 0.00 H new ATOM 215 N CYS A 17 -11.996 -4.518 1.959 1.00 0.00 N ATOM 216 CA CYS A 17 -11.046 -4.490 0.800 1.00 0.00 C ATOM 217 C CYS A 17 -9.890 -3.501 1.017 1.00 0.00 C ATOM 218 O CYS A 17 -8.758 -3.836 0.741 1.00 0.00 O ATOM 219 CB CYS A 17 -11.874 -4.073 -0.423 1.00 0.00 C ATOM 220 SG CYS A 17 -13.560 -4.736 -0.317 1.00 0.00 S ATOM 0 H CYS A 17 -12.754 -3.837 1.916 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.586 -5.470 0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -11.910 -2.986 -0.490 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -11.394 -4.433 -1.333 1.00 0.00 H new ATOM 225 N PRO A 18 -10.176 -2.312 1.493 1.00 0.00 N ATOM 226 CA PRO A 18 -9.088 -1.336 1.705 1.00 0.00 C ATOM 227 C PRO A 18 -8.116 -1.931 2.719 1.00 0.00 C ATOM 228 O PRO A 18 -6.919 -1.907 2.533 1.00 0.00 O ATOM 229 CB PRO A 18 -9.822 -0.109 2.232 1.00 0.00 C ATOM 230 CG PRO A 18 -11.331 -0.422 2.270 1.00 0.00 C ATOM 231 CD PRO A 18 -11.545 -1.888 1.854 1.00 0.00 C ATOM 0 HA PRO A 18 -8.497 -1.086 0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.463 0.148 3.229 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.629 0.752 1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.726 -0.253 3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.871 0.244 1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.956 -2.486 2.667 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.234 -1.977 1.014 1.00 0.00 H new ATOM 239 N ILE A 19 -8.626 -2.501 3.775 1.00 0.00 N ATOM 240 CA ILE A 19 -7.715 -3.154 4.763 1.00 0.00 C ATOM 241 C ILE A 19 -6.885 -4.236 4.041 1.00 0.00 C ATOM 242 O ILE A 19 -5.755 -4.529 4.405 1.00 0.00 O ATOM 243 CB ILE A 19 -8.638 -3.812 5.792 1.00 0.00 C ATOM 244 CG1 ILE A 19 -9.504 -2.747 6.462 1.00 0.00 C ATOM 245 CG2 ILE A 19 -7.797 -4.524 6.853 1.00 0.00 C ATOM 246 CD1 ILE A 19 -10.610 -3.423 7.275 1.00 0.00 C ATOM 0 H ILE A 19 -9.621 -2.545 3.997 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.028 -2.447 5.228 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.279 -4.536 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.892 -2.121 7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.941 -2.092 5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.455 -4.992 7.585 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.182 -5.288 6.377 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.154 -3.800 7.354 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.227 -2.662 7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.229 -4.030 6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.163 -4.059 8.039 1.00 0.00 H new ATOM 258 N THR A 20 -7.439 -4.824 3.004 1.00 0.00 N ATOM 259 CA THR A 20 -6.698 -5.872 2.246 1.00 0.00 C ATOM 260 C THR A 20 -5.494 -5.231 1.580 1.00 0.00 C ATOM 261 O THR A 20 -4.475 -5.853 1.360 1.00 0.00 O ATOM 262 CB THR A 20 -7.687 -6.390 1.192 1.00 0.00 C ATOM 263 OG1 THR A 20 -8.932 -6.670 1.812 1.00 0.00 O ATOM 264 CG2 THR A 20 -7.135 -7.667 0.560 1.00 0.00 C ATOM 0 H THR A 20 -8.375 -4.619 2.654 1.00 0.00 H new ATOM 0 HA THR A 20 -6.340 -6.683 2.881 1.00 0.00 H new ATOM 0 HB THR A 20 -7.826 -5.633 0.420 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.354 -5.831 2.093 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.837 -8.035 -0.188 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.177 -7.453 0.085 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.997 -8.424 1.332 1.00 0.00 H new ATOM 272 N VAL A 21 -5.611 -3.974 1.278 1.00 0.00 N ATOM 273 CA VAL A 21 -4.489 -3.254 0.647 1.00 0.00 C ATOM 274 C VAL A 21 -3.360 -3.128 1.661 1.00 0.00 C ATOM 275 O VAL A 21 -2.196 -3.069 1.310 1.00 0.00 O ATOM 276 CB VAL A 21 -5.049 -1.879 0.280 1.00 0.00 C ATOM 277 CG1 VAL A 21 -3.946 -1.028 -0.351 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.197 -2.046 -0.718 1.00 0.00 C ATOM 0 H VAL A 21 -6.446 -3.412 1.445 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.092 -3.762 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.417 -1.386 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.347 -0.048 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.128 -0.908 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.576 -1.520 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.597 -1.066 -0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.829 -2.540 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.985 -2.651 -0.269 1.00 0.00 H new ATOM 288 N LYS A 22 -3.692 -3.116 2.927 1.00 0.00 N ATOM 289 CA LYS A 22 -2.630 -3.020 3.950 1.00 0.00 C ATOM 290 C LYS A 22 -1.863 -4.330 3.949 1.00 0.00 C ATOM 291 O LYS A 22 -0.649 -4.360 3.994 1.00 0.00 O ATOM 292 CB LYS A 22 -3.344 -2.795 5.289 1.00 0.00 C ATOM 293 CG LYS A 22 -2.464 -3.301 6.443 1.00 0.00 C ATOM 294 CD LYS A 22 -2.521 -2.316 7.613 1.00 0.00 C ATOM 295 CE LYS A 22 -1.350 -2.574 8.562 1.00 0.00 C ATOM 296 NZ LYS A 22 -1.828 -2.110 9.895 1.00 0.00 N ATOM 0 H LYS A 22 -4.645 -3.168 3.286 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.926 -2.209 3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.560 -1.735 5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.300 -3.318 5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.805 -4.284 6.767 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.435 -3.416 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.481 -1.292 7.241 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.465 -2.425 8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.084 -3.631 8.583 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.460 -2.028 8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.079 -2.254 10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.067 -1.099 9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.672 -2.652 10.169 1.00 0.00 H new ATOM 310 N LYS A 23 -2.569 -5.420 3.878 1.00 0.00 N ATOM 311 CA LYS A 23 -1.874 -6.730 3.854 1.00 0.00 C ATOM 312 C LYS A 23 -1.047 -6.841 2.574 1.00 0.00 C ATOM 313 O LYS A 23 -0.069 -7.559 2.501 1.00 0.00 O ATOM 314 CB LYS A 23 -2.987 -7.777 3.883 1.00 0.00 C ATOM 315 CG LYS A 23 -3.195 -8.265 5.320 1.00 0.00 C ATOM 316 CD LYS A 23 -3.235 -7.062 6.266 1.00 0.00 C ATOM 317 CE LYS A 23 -3.767 -7.502 7.633 1.00 0.00 C ATOM 318 NZ LYS A 23 -4.213 -6.244 8.296 1.00 0.00 N ATOM 0 H LYS A 23 -3.587 -5.460 3.836 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.189 -6.861 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.912 -7.350 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.728 -8.616 3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.124 -8.830 5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.389 -8.940 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.237 -6.637 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.872 -6.281 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.592 -8.206 7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.993 -8.002 8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.591 -6.464 9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.405 -5.595 8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.954 -5.793 7.723 1.00 0.00 H new ATOM 332 N ALA A 24 -1.444 -6.123 1.569 1.00 0.00 N ATOM 333 CA ALA A 24 -0.714 -6.156 0.278 1.00 0.00 C ATOM 334 C ALA A 24 0.667 -5.509 0.421 1.00 0.00 C ATOM 335 O ALA A 24 1.653 -6.015 -0.079 1.00 0.00 O ATOM 336 CB ALA A 24 -1.585 -5.352 -0.687 1.00 0.00 C ATOM 0 H ALA A 24 -2.255 -5.505 1.587 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.546 -7.175 -0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.113 -5.328 -1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.566 -5.820 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.697 -4.334 -0.314 1.00 0.00 H new ATOM 342 N LEU A 25 0.751 -4.393 1.098 1.00 0.00 N ATOM 343 CA LEU A 25 2.081 -3.730 1.260 1.00 0.00 C ATOM 344 C LEU A 25 2.968 -4.575 2.171 1.00 0.00 C ATOM 345 O LEU A 25 4.141 -4.763 1.917 1.00 0.00 O ATOM 346 CB LEU A 25 1.805 -2.379 1.918 1.00 0.00 C ATOM 347 CG LEU A 25 0.621 -1.691 1.245 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.366 -1.261 2.324 1.00 0.00 C ATOM 349 CD2 LEU A 25 1.114 -0.458 0.484 1.00 0.00 C ATOM 0 H LEU A 25 -0.034 -3.916 1.542 1.00 0.00 H new ATOM 0 HA LEU A 25 2.590 -3.613 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.597 -2.520 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.689 -1.746 1.848 1.00 0.00 H new ATOM 0 HG LEU A 25 0.138 -2.374 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.220 -0.767 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.709 -2.138 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.124 -0.571 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.269 0.034 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.589 0.234 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.836 -0.763 -0.274 1.00 0.00 H new ATOM 361 N SER A 26 2.407 -5.095 3.226 1.00 0.00 N ATOM 362 CA SER A 26 3.205 -5.939 4.150 1.00 0.00 C ATOM 363 C SER A 26 3.588 -7.222 3.429 1.00 0.00 C ATOM 364 O SER A 26 4.493 -7.931 3.824 1.00 0.00 O ATOM 365 CB SER A 26 2.277 -6.237 5.328 1.00 0.00 C ATOM 366 OG SER A 26 0.960 -6.464 4.842 1.00 0.00 O ATOM 0 H SER A 26 1.429 -4.970 3.487 1.00 0.00 H new ATOM 0 HA SER A 26 4.123 -5.456 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.632 -7.112 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.280 -5.402 6.029 1.00 0.00 H new ATOM 0 HG SER A 26 0.500 -5.606 4.730 1.00 0.00 H new ATOM 372 N LYS A 27 2.897 -7.525 2.366 1.00 0.00 N ATOM 373 CA LYS A 27 3.211 -8.760 1.612 1.00 0.00 C ATOM 374 C LYS A 27 4.058 -8.421 0.390 1.00 0.00 C ATOM 375 O LYS A 27 4.592 -9.288 -0.272 1.00 0.00 O ATOM 376 CB LYS A 27 1.852 -9.332 1.207 1.00 0.00 C ATOM 377 CG LYS A 27 1.255 -10.132 2.374 1.00 0.00 C ATOM 378 CD LYS A 27 1.621 -9.471 3.709 1.00 0.00 C ATOM 379 CE LYS A 27 0.753 -10.056 4.824 1.00 0.00 C ATOM 380 NZ LYS A 27 1.084 -11.508 4.849 1.00 0.00 N ATOM 0 H LYS A 27 2.129 -6.968 1.990 1.00 0.00 H new ATOM 0 HA LYS A 27 3.785 -9.478 2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.177 -8.524 0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.963 -9.974 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.171 -10.186 2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.629 -11.156 2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.676 -9.635 3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.472 -8.393 3.646 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.971 -9.585 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.307 -9.896 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.825 -11.907 5.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.554 -11.998 4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.104 -11.634 4.691 1.00 0.00 H new ATOM 394 N VAL A 28 4.197 -7.161 0.098 1.00 0.00 N ATOM 395 CA VAL A 28 5.026 -6.760 -1.067 1.00 0.00 C ATOM 396 C VAL A 28 6.332 -7.553 -1.046 1.00 0.00 C ATOM 397 O VAL A 28 6.604 -8.339 -1.933 1.00 0.00 O ATOM 398 CB VAL A 28 5.281 -5.259 -0.870 1.00 0.00 C ATOM 399 CG1 VAL A 28 6.595 -4.848 -1.546 1.00 0.00 C ATOM 400 CG2 VAL A 28 4.129 -4.463 -1.487 1.00 0.00 C ATOM 0 H VAL A 28 3.772 -6.392 0.616 1.00 0.00 H new ATOM 0 HA VAL A 28 4.547 -6.955 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 28 5.349 -5.051 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.762 -3.781 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.421 -5.409 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.537 -5.061 -2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.308 -3.397 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.063 -4.684 -2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.194 -4.740 -1.001 1.00 0.00 H new ATOM 410 N GLU A 29 7.135 -7.353 -0.026 1.00 0.00 N ATOM 411 CA GLU A 29 8.434 -8.081 0.091 1.00 0.00 C ATOM 412 C GLU A 29 9.366 -7.331 1.059 1.00 0.00 C ATOM 413 O GLU A 29 9.734 -7.836 2.101 1.00 0.00 O ATOM 414 CB GLU A 29 9.024 -8.102 -1.331 1.00 0.00 C ATOM 415 CG GLU A 29 10.544 -7.977 -1.275 1.00 0.00 C ATOM 416 CD GLU A 29 11.165 -8.711 -2.464 1.00 0.00 C ATOM 417 OE1 GLU A 29 10.503 -8.814 -3.484 1.00 0.00 O ATOM 418 OE2 GLU A 29 12.292 -9.161 -2.334 1.00 0.00 O ATOM 0 H GLU A 29 6.940 -6.707 0.739 1.00 0.00 H new ATOM 0 HA GLU A 29 8.309 -9.090 0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.747 -9.029 -1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.606 -7.284 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.833 -6.926 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.919 -8.395 -0.341 1.00 0.00 H new ATOM 425 N GLY A 30 9.766 -6.137 0.702 1.00 0.00 N ATOM 426 CA GLY A 30 10.692 -5.364 1.579 1.00 0.00 C ATOM 427 C GLY A 30 9.905 -4.445 2.513 1.00 0.00 C ATOM 428 O GLY A 30 10.465 -3.827 3.397 1.00 0.00 O ATOM 0 H GLY A 30 9.490 -5.665 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.304 -6.050 2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.373 -4.773 0.967 1.00 0.00 H new ATOM 432 N VAL A 31 8.616 -4.352 2.335 1.00 0.00 N ATOM 433 CA VAL A 31 7.804 -3.476 3.230 1.00 0.00 C ATOM 434 C VAL A 31 8.273 -3.636 4.669 1.00 0.00 C ATOM 435 O VAL A 31 8.395 -4.731 5.182 1.00 0.00 O ATOM 436 CB VAL A 31 6.366 -3.968 3.076 1.00 0.00 C ATOM 437 CG1 VAL A 31 6.259 -5.395 3.613 1.00 0.00 C ATOM 438 CG2 VAL A 31 5.426 -3.054 3.866 1.00 0.00 C ATOM 0 H VAL A 31 8.090 -4.842 1.612 1.00 0.00 H new ATOM 0 HA VAL A 31 7.897 -2.420 2.975 1.00 0.00 H new ATOM 0 HB VAL A 31 6.086 -3.952 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.234 -5.749 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.929 -6.046 3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.538 -5.409 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.400 -3.405 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.704 -3.070 4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.504 -2.036 3.485 1.00 0.00 H new ATOM 448 N SER A 32 8.537 -2.546 5.320 1.00 0.00 N ATOM 449 CA SER A 32 9.003 -2.615 6.730 1.00 0.00 C ATOM 450 C SER A 32 7.891 -2.133 7.654 1.00 0.00 C ATOM 451 O SER A 32 7.952 -2.289 8.857 1.00 0.00 O ATOM 452 CB SER A 32 10.209 -1.681 6.796 1.00 0.00 C ATOM 453 OG SER A 32 11.296 -2.271 6.097 1.00 0.00 O ATOM 0 H SER A 32 8.451 -1.604 4.937 1.00 0.00 H new ATOM 0 HA SER A 32 9.266 -3.626 7.040 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.960 -0.715 6.357 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.485 -1.497 7.834 1.00 0.00 H new ATOM 0 HG SER A 32 11.811 -1.572 5.643 1.00 0.00 H new ATOM 459 N LYS A 33 6.867 -1.560 7.092 1.00 0.00 N ATOM 460 CA LYS A 33 5.732 -1.077 7.931 1.00 0.00 C ATOM 461 C LYS A 33 4.521 -0.798 7.033 1.00 0.00 C ATOM 462 O LYS A 33 4.654 -0.635 5.837 1.00 0.00 O ATOM 463 CB LYS A 33 6.271 0.190 8.624 1.00 0.00 C ATOM 464 CG LYS A 33 5.235 1.322 8.602 1.00 0.00 C ATOM 465 CD LYS A 33 4.100 0.992 9.573 1.00 0.00 C ATOM 466 CE LYS A 33 3.970 2.112 10.608 1.00 0.00 C ATOM 467 NZ LYS A 33 2.600 1.960 11.177 1.00 0.00 N ATOM 0 H LYS A 33 6.764 -1.404 6.089 1.00 0.00 H new ATOM 0 HA LYS A 33 5.391 -1.799 8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.537 -0.042 9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.183 0.519 8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.705 2.265 8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.840 1.449 7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.163 0.876 9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.298 0.043 10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.731 2.022 11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.099 3.091 10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.439 2.695 11.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.896 2.057 10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.508 1.022 11.616 1.00 0.00 H new ATOM 481 N VAL A 34 3.338 -0.764 7.586 1.00 0.00 N ATOM 482 CA VAL A 34 2.144 -0.517 6.730 1.00 0.00 C ATOM 483 C VAL A 34 1.059 0.254 7.486 1.00 0.00 C ATOM 484 O VAL A 34 1.014 0.274 8.701 1.00 0.00 O ATOM 485 CB VAL A 34 1.635 -1.910 6.360 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.414 -1.780 5.449 1.00 0.00 C ATOM 487 CG2 VAL A 34 2.736 -2.678 5.627 1.00 0.00 C ATOM 0 H VAL A 34 3.149 -0.895 8.580 1.00 0.00 H new ATOM 0 HA VAL A 34 2.397 0.087 5.859 1.00 0.00 H new ATOM 0 HB VAL A 34 1.358 -2.448 7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.050 -2.773 5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.372 -1.232 5.970 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.692 -1.242 4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.373 -3.671 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.013 -2.140 4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.608 -2.771 6.274 1.00 0.00 H new ATOM 497 N ASP A 35 0.168 0.865 6.756 1.00 0.00 N ATOM 498 CA ASP A 35 -0.952 1.622 7.382 1.00 0.00 C ATOM 499 C ASP A 35 -2.232 1.298 6.616 1.00 0.00 C ATOM 500 O ASP A 35 -2.236 1.253 5.401 1.00 0.00 O ATOM 501 CB ASP A 35 -0.593 3.100 7.234 1.00 0.00 C ATOM 502 CG ASP A 35 -1.659 3.951 7.929 1.00 0.00 C ATOM 503 OD1 ASP A 35 -2.805 3.886 7.513 1.00 0.00 O ATOM 504 OD2 ASP A 35 -1.313 4.649 8.866 1.00 0.00 O ATOM 0 H ASP A 35 0.169 0.872 5.736 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.105 1.368 8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.386 3.294 7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.529 3.367 6.179 1.00 0.00 H new ATOM 509 N VAL A 36 -3.313 1.047 7.298 1.00 0.00 N ATOM 510 CA VAL A 36 -4.563 0.697 6.568 1.00 0.00 C ATOM 511 C VAL A 36 -5.603 1.811 6.645 1.00 0.00 C ATOM 512 O VAL A 36 -5.990 2.251 7.710 1.00 0.00 O ATOM 513 CB VAL A 36 -5.098 -0.565 7.254 1.00 0.00 C ATOM 514 CG1 VAL A 36 -5.009 -0.408 8.773 1.00 0.00 C ATOM 515 CG2 VAL A 36 -6.559 -0.789 6.853 1.00 0.00 C ATOM 0 H VAL A 36 -3.387 1.068 8.315 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.358 0.545 5.508 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.498 -1.420 6.943 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.391 -1.308 9.255 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.969 -0.254 9.063 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.603 0.451 9.085 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.937 -1.687 7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.156 0.070 7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.625 -0.910 5.772 1.00 0.00 H new ATOM 525 N GLY A 37 -6.097 2.223 5.513 1.00 0.00 N ATOM 526 CA GLY A 37 -7.159 3.253 5.487 1.00 0.00 C ATOM 527 C GLY A 37 -8.425 2.530 5.052 1.00 0.00 C ATOM 528 O GLY A 37 -8.999 2.829 4.032 1.00 0.00 O ATOM 0 H GLY A 37 -5.804 1.884 4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.286 3.709 6.469 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.909 4.056 4.793 1.00 0.00 H new ATOM 532 N PHE A 38 -8.813 1.541 5.821 1.00 0.00 N ATOM 533 CA PHE A 38 -10.015 0.702 5.504 1.00 0.00 C ATOM 534 C PHE A 38 -11.081 1.477 4.701 1.00 0.00 C ATOM 535 O PHE A 38 -10.908 1.765 3.539 1.00 0.00 O ATOM 536 CB PHE A 38 -10.549 0.248 6.877 1.00 0.00 C ATOM 537 CG PHE A 38 -10.339 1.323 7.926 1.00 0.00 C ATOM 538 CD1 PHE A 38 -10.642 2.663 7.647 1.00 0.00 C ATOM 539 CD2 PHE A 38 -9.839 0.967 9.186 1.00 0.00 C ATOM 540 CE1 PHE A 38 -10.445 3.643 8.628 1.00 0.00 C ATOM 541 CE2 PHE A 38 -9.642 1.947 10.165 1.00 0.00 C ATOM 542 CZ PHE A 38 -9.944 3.285 9.886 1.00 0.00 C ATOM 0 H PHE A 38 -8.333 1.272 6.680 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.756 -0.142 4.864 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -11.611 0.014 6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -10.043 -0.667 7.183 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -11.027 2.939 6.677 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.605 -0.065 9.402 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.680 4.675 8.414 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.257 1.671 11.136 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.791 4.042 10.641 1.00 0.00 H new ATOM 552 N GLU A 39 -12.196 1.772 5.295 1.00 0.00 N ATOM 553 CA GLU A 39 -13.283 2.498 4.562 1.00 0.00 C ATOM 554 C GLU A 39 -12.763 3.768 3.862 1.00 0.00 C ATOM 555 O GLU A 39 -13.027 3.990 2.698 1.00 0.00 O ATOM 556 CB GLU A 39 -14.297 2.875 5.643 1.00 0.00 C ATOM 557 CG GLU A 39 -15.608 3.308 4.985 1.00 0.00 C ATOM 558 CD GLU A 39 -16.656 3.582 6.065 1.00 0.00 C ATOM 559 OE1 GLU A 39 -16.422 3.199 7.199 1.00 0.00 O ATOM 560 OE2 GLU A 39 -17.675 4.170 5.739 1.00 0.00 O ATOM 0 H GLU A 39 -12.411 1.543 6.265 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.708 1.875 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.473 2.026 6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.903 3.683 6.260 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.447 4.203 4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.962 2.530 4.309 1.00 0.00 H new ATOM 567 N LYS A 40 -12.048 4.616 4.561 1.00 0.00 N ATOM 568 CA LYS A 40 -11.544 5.881 3.927 1.00 0.00 C ATOM 569 C LYS A 40 -10.730 5.589 2.657 1.00 0.00 C ATOM 570 O LYS A 40 -10.457 6.471 1.868 1.00 0.00 O ATOM 571 CB LYS A 40 -10.658 6.534 4.988 1.00 0.00 C ATOM 572 CG LYS A 40 -10.285 7.949 4.538 1.00 0.00 C ATOM 573 CD LYS A 40 -8.798 7.997 4.182 1.00 0.00 C ATOM 574 CE LYS A 40 -7.963 7.718 5.435 1.00 0.00 C ATOM 575 NZ LYS A 40 -7.859 9.031 6.132 1.00 0.00 N ATOM 0 H LYS A 40 -11.791 4.490 5.540 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.368 6.525 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.182 6.570 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.757 5.940 5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.886 8.238 3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.503 8.664 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.574 7.260 3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.543 8.974 3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.441 6.972 6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.978 7.331 5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.934 8.886 7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.943 9.470 5.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.628 9.655 5.814 1.00 0.00 H new ATOM 589 N ARG A 41 -10.350 4.362 2.460 1.00 0.00 N ATOM 590 CA ARG A 41 -9.560 3.987 1.246 1.00 0.00 C ATOM 591 C ARG A 41 -8.224 4.724 1.207 1.00 0.00 C ATOM 592 O ARG A 41 -8.079 5.744 0.563 1.00 0.00 O ATOM 593 CB ARG A 41 -10.426 4.404 0.062 1.00 0.00 C ATOM 594 CG ARG A 41 -9.799 3.904 -1.247 1.00 0.00 C ATOM 595 CD ARG A 41 -9.092 5.059 -1.972 1.00 0.00 C ATOM 596 NE ARG A 41 -10.068 6.185 -1.952 1.00 0.00 N ATOM 597 CZ ARG A 41 -9.690 7.387 -2.295 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.453 7.612 -2.648 1.00 0.00 N ATOM 599 NH2 ARG A 41 -10.550 8.368 -2.279 1.00 0.00 N ATOM 0 H ARG A 41 -10.553 3.589 3.093 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.327 2.922 1.236 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.430 3.995 0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.524 5.489 0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.086 3.107 -1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.571 3.480 -1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.165 5.332 -1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.830 4.782 -2.993 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.034 6.016 -1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.778 6.847 -2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.162 8.552 -2.915 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.515 8.195 -1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.257 9.308 -2.547 1.00 0.00 H new ATOM 613 N GLU A 42 -7.243 4.206 1.880 1.00 0.00 N ATOM 614 CA GLU A 42 -5.903 4.862 1.866 1.00 0.00 C ATOM 615 C GLU A 42 -4.865 3.971 2.556 1.00 0.00 C ATOM 616 O GLU A 42 -5.000 3.644 3.718 1.00 0.00 O ATOM 617 CB GLU A 42 -6.087 6.169 2.639 1.00 0.00 C ATOM 618 CG GLU A 42 -4.908 7.102 2.355 1.00 0.00 C ATOM 619 CD GLU A 42 -5.401 8.332 1.590 1.00 0.00 C ATOM 620 OE1 GLU A 42 -5.697 8.194 0.414 1.00 0.00 O ATOM 621 OE2 GLU A 42 -5.473 9.391 2.192 1.00 0.00 O ATOM 0 H GLU A 42 -7.306 3.357 2.441 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.545 5.037 0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.022 6.648 2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.154 5.965 3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.439 7.407 3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.149 6.579 1.773 1.00 0.00 H new ATOM 628 N ALA A 43 -3.828 3.577 1.861 1.00 0.00 N ATOM 629 CA ALA A 43 -2.800 2.714 2.510 1.00 0.00 C ATOM 630 C ALA A 43 -1.467 3.460 2.622 1.00 0.00 C ATOM 631 O ALA A 43 -0.870 3.841 1.641 1.00 0.00 O ATOM 632 CB ALA A 43 -2.661 1.501 1.591 1.00 0.00 C ATOM 0 H ALA A 43 -3.651 3.813 0.884 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.085 2.428 3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.919 0.816 2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.621 0.992 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.343 1.829 0.601 1.00 0.00 H new ATOM 638 N VAL A 44 -0.982 3.650 3.813 1.00 0.00 N ATOM 639 CA VAL A 44 0.324 4.354 3.978 1.00 0.00 C ATOM 640 C VAL A 44 1.366 3.315 4.383 1.00 0.00 C ATOM 641 O VAL A 44 1.185 2.579 5.330 1.00 0.00 O ATOM 642 CB VAL A 44 0.074 5.398 5.079 1.00 0.00 C ATOM 643 CG1 VAL A 44 1.279 5.495 6.024 1.00 0.00 C ATOM 644 CG2 VAL A 44 -0.161 6.762 4.429 1.00 0.00 C ATOM 0 H VAL A 44 -1.429 3.351 4.680 1.00 0.00 H new ATOM 0 HA VAL A 44 0.691 4.844 3.076 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.799 5.094 5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.078 6.240 6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.453 4.526 6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.163 5.788 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.339 7.508 5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.717 7.044 3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.029 6.707 3.772 1.00 0.00 H new ATOM 654 N VAL A 45 2.428 3.200 3.639 1.00 0.00 N ATOM 655 CA VAL A 45 3.421 2.140 3.970 1.00 0.00 C ATOM 656 C VAL A 45 4.872 2.628 3.955 1.00 0.00 C ATOM 657 O VAL A 45 5.247 3.515 3.220 1.00 0.00 O ATOM 658 CB VAL A 45 3.218 1.114 2.860 1.00 0.00 C ATOM 659 CG1 VAL A 45 3.573 1.748 1.514 1.00 0.00 C ATOM 660 CG2 VAL A 45 4.115 -0.099 3.106 1.00 0.00 C ATOM 0 H VAL A 45 2.651 3.781 2.831 1.00 0.00 H new ATOM 0 HA VAL A 45 3.265 1.763 4.981 1.00 0.00 H new ATOM 0 HB VAL A 45 2.176 0.793 2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.429 1.017 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.929 2.609 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.614 2.070 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.966 -0.829 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.158 0.217 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.861 -0.551 4.065 1.00 0.00 H new ATOM 670 N THR A 46 5.695 1.986 4.740 1.00 0.00 N ATOM 671 CA THR A 46 7.150 2.307 4.778 1.00 0.00 C ATOM 672 C THR A 46 7.884 1.097 4.216 1.00 0.00 C ATOM 673 O THR A 46 7.400 -0.013 4.305 1.00 0.00 O ATOM 674 CB THR A 46 7.499 2.497 6.258 1.00 0.00 C ATOM 675 OG1 THR A 46 7.153 3.811 6.672 1.00 0.00 O ATOM 676 CG2 THR A 46 9.002 2.276 6.462 1.00 0.00 C ATOM 0 H THR A 46 5.412 1.236 5.370 1.00 0.00 H new ATOM 0 HA THR A 46 7.417 3.195 4.205 1.00 0.00 H new ATOM 0 HB THR A 46 6.939 1.775 6.853 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.377 3.925 7.619 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.250 2.411 7.515 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.266 1.264 6.154 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.560 2.995 5.862 1.00 0.00 H new ATOM 684 N PHE A 47 9.032 1.282 3.641 1.00 0.00 N ATOM 685 CA PHE A 47 9.752 0.110 3.087 1.00 0.00 C ATOM 686 C PHE A 47 11.156 0.493 2.675 1.00 0.00 C ATOM 687 O PHE A 47 11.561 1.630 2.779 1.00 0.00 O ATOM 688 CB PHE A 47 8.950 -0.310 1.854 1.00 0.00 C ATOM 689 CG PHE A 47 9.028 0.784 0.814 1.00 0.00 C ATOM 690 CD1 PHE A 47 10.146 0.882 -0.031 1.00 0.00 C ATOM 691 CD2 PHE A 47 7.983 1.709 0.698 1.00 0.00 C ATOM 692 CE1 PHE A 47 10.214 1.902 -0.984 1.00 0.00 C ATOM 693 CE2 PHE A 47 8.054 2.730 -0.256 1.00 0.00 C ATOM 694 CZ PHE A 47 9.170 2.826 -1.096 1.00 0.00 C ATOM 0 H PHE A 47 9.499 2.182 3.531 1.00 0.00 H new ATOM 0 HA PHE A 47 9.837 -0.691 3.821 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.344 -1.242 1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.911 -0.495 2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.953 0.169 0.056 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.122 1.634 1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.073 1.977 -1.634 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.248 3.444 -0.344 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.225 3.615 -1.832 1.00 0.00 H new ATOM 704 N ASP A 48 11.884 -0.452 2.173 1.00 0.00 N ATOM 705 CA ASP A 48 13.256 -0.162 1.707 1.00 0.00 C ATOM 706 C ASP A 48 13.233 -0.189 0.186 1.00 0.00 C ATOM 707 O ASP A 48 12.796 -1.148 -0.418 1.00 0.00 O ATOM 708 CB ASP A 48 14.128 -1.285 2.273 1.00 0.00 C ATOM 709 CG ASP A 48 14.273 -1.103 3.785 1.00 0.00 C ATOM 710 OD1 ASP A 48 13.418 -1.590 4.506 1.00 0.00 O ATOM 711 OD2 ASP A 48 15.239 -0.481 4.197 1.00 0.00 O ATOM 0 H ASP A 48 11.585 -1.421 2.065 1.00 0.00 H new ATOM 0 HA ASP A 48 13.638 0.807 2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.680 -2.254 2.054 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.109 -1.273 1.798 1.00 0.00 H new ATOM 716 N ASP A 49 13.645 0.870 -0.443 1.00 0.00 N ATOM 717 CA ASP A 49 13.577 0.899 -1.931 1.00 0.00 C ATOM 718 C ASP A 49 14.554 -0.111 -2.554 1.00 0.00 C ATOM 719 O ASP A 49 14.605 -0.270 -3.758 1.00 0.00 O ATOM 720 CB ASP A 49 13.902 2.350 -2.326 1.00 0.00 C ATOM 721 CG ASP A 49 15.379 2.494 -2.718 1.00 0.00 C ATOM 722 OD1 ASP A 49 16.224 2.164 -1.903 1.00 0.00 O ATOM 723 OD2 ASP A 49 15.636 2.932 -3.828 1.00 0.00 O ATOM 0 H ASP A 49 14.022 1.709 -0.001 1.00 0.00 H new ATOM 0 HA ASP A 49 12.595 0.606 -2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.269 2.654 -3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.676 3.017 -1.494 1.00 0.00 H new ATOM 728 N THR A 50 15.322 -0.800 -1.753 1.00 0.00 N ATOM 729 CA THR A 50 16.276 -1.797 -2.319 1.00 0.00 C ATOM 730 C THR A 50 15.548 -3.111 -2.623 1.00 0.00 C ATOM 731 O THR A 50 15.979 -3.894 -3.446 1.00 0.00 O ATOM 732 CB THR A 50 17.332 -2.009 -1.233 1.00 0.00 C ATOM 733 OG1 THR A 50 18.258 -2.997 -1.663 1.00 0.00 O ATOM 734 CG2 THR A 50 16.656 -2.469 0.059 1.00 0.00 C ATOM 0 H THR A 50 15.330 -0.716 -0.736 1.00 0.00 H new ATOM 0 HA THR A 50 16.721 -1.454 -3.253 1.00 0.00 H new ATOM 0 HB THR A 50 17.857 -1.072 -1.050 1.00 0.00 H new ATOM 0 HG1 THR A 50 18.937 -3.133 -0.969 1.00 0.00 H new ATOM 0 HG21 THR A 50 17.411 -2.619 0.831 1.00 0.00 H new ATOM 0 HG22 THR A 50 15.946 -1.710 0.388 1.00 0.00 H new ATOM 0 HG23 THR A 50 16.129 -3.406 -0.120 1.00 0.00 H new ATOM 742 N LYS A 51 14.445 -3.359 -1.966 1.00 0.00 N ATOM 743 CA LYS A 51 13.693 -4.624 -2.222 1.00 0.00 C ATOM 744 C LYS A 51 12.237 -4.318 -2.582 1.00 0.00 C ATOM 745 O LYS A 51 11.475 -5.195 -2.936 1.00 0.00 O ATOM 746 CB LYS A 51 13.769 -5.407 -0.911 1.00 0.00 C ATOM 747 CG LYS A 51 14.916 -6.415 -0.988 1.00 0.00 C ATOM 748 CD LYS A 51 15.609 -6.505 0.372 1.00 0.00 C ATOM 749 CE LYS A 51 14.581 -6.882 1.442 1.00 0.00 C ATOM 750 NZ LYS A 51 15.380 -7.223 2.655 1.00 0.00 N ATOM 0 H LYS A 51 14.033 -2.743 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 51 14.112 -5.186 -3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.925 -4.725 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.827 -5.924 -0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.535 -7.394 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.631 -6.111 -1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 51 16.405 -7.249 0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.075 -5.551 0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.899 -6.055 1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.972 -7.728 1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.739 -7.491 3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.015 -8.018 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.944 -6.398 2.943 1.00 0.00 H new ATOM 764 N ALA A 52 11.850 -3.078 -2.499 1.00 0.00 N ATOM 765 CA ALA A 52 10.449 -2.704 -2.841 1.00 0.00 C ATOM 766 C ALA A 52 10.400 -1.242 -3.287 1.00 0.00 C ATOM 767 O ALA A 52 11.418 -0.615 -3.498 1.00 0.00 O ATOM 768 CB ALA A 52 9.652 -2.899 -1.551 1.00 0.00 C ATOM 0 H ALA A 52 12.445 -2.303 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 52 10.046 -3.306 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.607 -2.642 -1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.721 -3.940 -1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.058 -2.255 -0.771 1.00 0.00 H new ATOM 774 N SER A 53 9.228 -0.695 -3.433 1.00 0.00 N ATOM 775 CA SER A 53 9.124 0.725 -3.867 1.00 0.00 C ATOM 776 C SER A 53 7.657 1.138 -3.974 1.00 0.00 C ATOM 777 O SER A 53 6.779 0.312 -4.104 1.00 0.00 O ATOM 778 CB SER A 53 9.791 0.768 -5.240 1.00 0.00 C ATOM 779 OG SER A 53 10.894 1.663 -5.201 1.00 0.00 O ATOM 0 H SER A 53 8.339 -1.168 -3.271 1.00 0.00 H new ATOM 0 HA SER A 53 9.597 1.408 -3.161 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.127 -0.229 -5.524 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.074 1.090 -5.995 1.00 0.00 H new ATOM 0 HG SER A 53 11.570 1.322 -4.579 1.00 0.00 H new ATOM 785 N VAL A 54 7.388 2.411 -3.926 1.00 0.00 N ATOM 786 CA VAL A 54 5.989 2.887 -4.035 1.00 0.00 C ATOM 787 C VAL A 54 5.248 2.101 -5.117 1.00 0.00 C ATOM 788 O VAL A 54 4.111 1.713 -4.945 1.00 0.00 O ATOM 789 CB VAL A 54 6.128 4.353 -4.428 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.011 5.076 -3.409 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.767 4.451 -5.816 1.00 0.00 C ATOM 0 H VAL A 54 8.086 3.146 -3.815 1.00 0.00 H new ATOM 0 HA VAL A 54 5.421 2.756 -3.114 1.00 0.00 H new ATOM 0 HB VAL A 54 5.142 4.817 -4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.109 6.124 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.557 5.008 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.997 4.612 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.867 5.499 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.752 3.985 -5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.138 3.938 -6.543 1.00 0.00 H new ATOM 801 N GLN A 55 5.885 1.852 -6.229 1.00 0.00 N ATOM 802 CA GLN A 55 5.211 1.077 -7.308 1.00 0.00 C ATOM 803 C GLN A 55 4.842 -0.310 -6.782 1.00 0.00 C ATOM 804 O GLN A 55 3.745 -0.791 -6.984 1.00 0.00 O ATOM 805 CB GLN A 55 6.244 0.973 -8.430 1.00 0.00 C ATOM 806 CG GLN A 55 5.525 0.858 -9.776 1.00 0.00 C ATOM 807 CD GLN A 55 5.044 2.241 -10.218 1.00 0.00 C ATOM 808 OE1 GLN A 55 5.765 3.213 -10.102 1.00 0.00 O ATOM 809 NE2 GLN A 55 3.848 2.373 -10.723 1.00 0.00 N ATOM 0 H GLN A 55 6.838 2.150 -6.436 1.00 0.00 H new ATOM 0 HA GLN A 55 4.292 1.549 -7.655 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.891 1.850 -8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.883 0.104 -8.271 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.197 0.439 -10.525 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.678 0.177 -9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.243 1.558 -10.821 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.518 3.291 -11.020 1.00 0.00 H new ATOM 818 N LYS A 56 5.753 -0.955 -6.105 1.00 0.00 N ATOM 819 CA LYS A 56 5.462 -2.310 -5.558 1.00 0.00 C ATOM 820 C LYS A 56 4.372 -2.236 -4.483 1.00 0.00 C ATOM 821 O LYS A 56 3.655 -3.190 -4.256 1.00 0.00 O ATOM 822 CB LYS A 56 6.781 -2.788 -4.951 1.00 0.00 C ATOM 823 CG LYS A 56 7.121 -4.176 -5.498 1.00 0.00 C ATOM 824 CD LYS A 56 8.565 -4.188 -6.002 1.00 0.00 C ATOM 825 CE LYS A 56 8.583 -4.555 -7.489 1.00 0.00 C ATOM 826 NZ LYS A 56 9.586 -5.650 -7.606 1.00 0.00 N ATOM 0 H LYS A 56 6.689 -0.600 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 56 5.097 -2.989 -6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.579 -2.086 -5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.702 -2.823 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.991 -4.927 -4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.440 -4.436 -6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.022 -3.210 -5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.155 -4.906 -5.432 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.600 -4.883 -7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.861 -3.698 -8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.654 -5.954 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.514 -5.307 -7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.292 -6.455 -7.017 1.00 0.00 H new ATOM 840 N LEU A 57 4.224 -1.114 -3.828 1.00 0.00 N ATOM 841 CA LEU A 57 3.158 -1.012 -2.792 1.00 0.00 C ATOM 842 C LEU A 57 1.807 -0.945 -3.498 1.00 0.00 C ATOM 843 O LEU A 57 0.931 -1.761 -3.283 1.00 0.00 O ATOM 844 CB LEU A 57 3.438 0.291 -2.038 1.00 0.00 C ATOM 845 CG LEU A 57 4.901 0.337 -1.585 1.00 0.00 C ATOM 846 CD1 LEU A 57 5.195 1.707 -0.976 1.00 0.00 C ATOM 847 CD2 LEU A 57 5.155 -0.752 -0.540 1.00 0.00 C ATOM 0 H LEU A 57 4.788 -0.275 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 57 3.145 -1.861 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.222 1.145 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.779 0.368 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 57 5.552 0.168 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.235 1.745 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.018 2.482 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.542 1.872 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.197 -0.715 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.506 -0.589 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.943 -1.729 -0.974 1.00 0.00 H new ATOM 859 N THR A 58 1.655 0.010 -4.368 1.00 0.00 N ATOM 860 CA THR A 58 0.391 0.136 -5.134 1.00 0.00 C ATOM 861 C THR A 58 0.238 -1.092 -6.020 1.00 0.00 C ATOM 862 O THR A 58 -0.835 -1.402 -6.493 1.00 0.00 O ATOM 863 CB THR A 58 0.576 1.387 -5.984 1.00 0.00 C ATOM 864 OG1 THR A 58 1.227 2.382 -5.211 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.785 1.903 -6.451 1.00 0.00 C ATOM 0 H THR A 58 2.360 0.715 -4.582 1.00 0.00 H new ATOM 0 HA THR A 58 -0.494 0.208 -4.502 1.00 0.00 H new ATOM 0 HB THR A 58 1.182 1.148 -6.858 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.557 2.957 -4.787 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.646 2.797 -7.058 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.281 1.135 -7.044 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.399 2.145 -5.584 1.00 0.00 H new ATOM 873 N LYS A 59 1.313 -1.801 -6.236 1.00 0.00 N ATOM 874 CA LYS A 59 1.241 -3.024 -7.073 1.00 0.00 C ATOM 875 C LYS A 59 0.733 -4.172 -6.209 1.00 0.00 C ATOM 876 O LYS A 59 0.104 -5.094 -6.688 1.00 0.00 O ATOM 877 CB LYS A 59 2.675 -3.280 -7.536 1.00 0.00 C ATOM 878 CG LYS A 59 2.772 -4.672 -8.162 1.00 0.00 C ATOM 879 CD LYS A 59 4.233 -4.974 -8.502 1.00 0.00 C ATOM 880 CE LYS A 59 4.556 -4.422 -9.891 1.00 0.00 C ATOM 881 NZ LYS A 59 4.744 -5.625 -10.750 1.00 0.00 N ATOM 0 H LYS A 59 2.238 -1.582 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 59 0.569 -2.925 -7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.974 -2.523 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.360 -3.202 -6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.385 -5.421 -7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.160 -4.722 -9.062 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.891 -4.525 -7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.409 -6.049 -8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.747 -3.793 -10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.455 -3.806 -9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.969 -5.327 -11.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.525 -6.201 -10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.870 -6.188 -10.755 1.00 0.00 H new ATOM 895 N ALA A 60 0.985 -4.112 -4.926 1.00 0.00 N ATOM 896 CA ALA A 60 0.491 -5.194 -4.032 1.00 0.00 C ATOM 897 C ALA A 60 -1.025 -5.077 -3.898 1.00 0.00 C ATOM 898 O ALA A 60 -1.743 -6.053 -3.991 1.00 0.00 O ATOM 899 CB ALA A 60 1.181 -4.961 -2.687 1.00 0.00 C ATOM 0 H ALA A 60 1.507 -3.367 -4.465 1.00 0.00 H new ATOM 0 HA ALA A 60 0.710 -6.191 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.862 -5.725 -1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.262 -5.016 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.911 -3.976 -2.306 1.00 0.00 H new ATOM 905 N THR A 61 -1.524 -3.885 -3.721 1.00 0.00 N ATOM 906 CA THR A 61 -2.998 -3.718 -3.630 1.00 0.00 C ATOM 907 C THR A 61 -3.564 -3.875 -5.030 1.00 0.00 C ATOM 908 O THR A 61 -4.618 -4.447 -5.236 1.00 0.00 O ATOM 909 CB THR A 61 -3.219 -2.302 -3.104 1.00 0.00 C ATOM 910 OG1 THR A 61 -4.613 -2.064 -2.966 1.00 0.00 O ATOM 911 CG2 THR A 61 -2.620 -1.284 -4.077 1.00 0.00 C ATOM 0 H THR A 61 -0.979 -3.027 -3.636 1.00 0.00 H new ATOM 0 HA THR A 61 -3.482 -4.445 -2.978 1.00 0.00 H new ATOM 0 HB THR A 61 -2.731 -2.198 -2.135 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.934 -1.547 -3.734 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.782 -0.276 -3.695 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.550 -1.465 -4.180 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.101 -1.384 -5.050 1.00 0.00 H new ATOM 919 N ALA A 62 -2.841 -3.398 -6.003 1.00 0.00 N ATOM 920 CA ALA A 62 -3.303 -3.546 -7.400 1.00 0.00 C ATOM 921 C ALA A 62 -3.413 -5.034 -7.705 1.00 0.00 C ATOM 922 O ALA A 62 -4.233 -5.464 -8.492 1.00 0.00 O ATOM 923 CB ALA A 62 -2.222 -2.892 -8.260 1.00 0.00 C ATOM 0 H ALA A 62 -1.951 -2.913 -5.887 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.273 -3.086 -7.586 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.500 -2.965 -9.311 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.122 -1.842 -7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.272 -3.401 -8.099 1.00 0.00 H new ATOM 929 N ASP A 63 -2.595 -5.829 -7.063 1.00 0.00 N ATOM 930 CA ASP A 63 -2.657 -7.293 -7.290 1.00 0.00 C ATOM 931 C ASP A 63 -3.633 -7.917 -6.294 1.00 0.00 C ATOM 932 O ASP A 63 -4.082 -9.033 -6.464 1.00 0.00 O ATOM 933 CB ASP A 63 -1.234 -7.800 -7.054 1.00 0.00 C ATOM 934 CG ASP A 63 -0.531 -7.991 -8.400 1.00 0.00 C ATOM 935 OD1 ASP A 63 -0.020 -7.014 -8.923 1.00 0.00 O ATOM 936 OD2 ASP A 63 -0.516 -9.110 -8.885 1.00 0.00 O ATOM 0 H ASP A 63 -1.890 -5.522 -6.393 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.005 -7.551 -8.290 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.680 -7.090 -6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.258 -8.743 -6.507 1.00 0.00 H new ATOM 941 N ALA A 64 -3.985 -7.192 -5.263 1.00 0.00 N ATOM 942 CA ALA A 64 -4.951 -7.738 -4.277 1.00 0.00 C ATOM 943 C ALA A 64 -6.351 -7.653 -4.871 1.00 0.00 C ATOM 944 O ALA A 64 -7.269 -8.320 -4.439 1.00 0.00 O ATOM 945 CB ALA A 64 -4.828 -6.834 -3.051 1.00 0.00 C ATOM 0 H ALA A 64 -3.645 -6.251 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.758 -8.779 -4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.514 -7.176 -2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.806 -6.871 -2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.075 -5.809 -3.328 1.00 0.00 H new ATOM 951 N GLY A 65 -6.514 -6.828 -5.869 1.00 0.00 N ATOM 952 CA GLY A 65 -7.848 -6.687 -6.506 1.00 0.00 C ATOM 953 C GLY A 65 -8.345 -5.259 -6.325 1.00 0.00 C ATOM 954 O GLY A 65 -9.529 -4.997 -6.366 1.00 0.00 O ATOM 0 H GLY A 65 -5.778 -6.246 -6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.785 -6.930 -7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.553 -7.389 -6.060 1.00 0.00 H new ATOM 958 N TYR A 66 -7.447 -4.333 -6.132 1.00 0.00 N ATOM 959 CA TYR A 66 -7.868 -2.921 -5.945 1.00 0.00 C ATOM 960 C TYR A 66 -6.876 -1.982 -6.640 1.00 0.00 C ATOM 961 O TYR A 66 -5.906 -1.560 -6.043 1.00 0.00 O ATOM 962 CB TYR A 66 -7.849 -2.702 -4.428 1.00 0.00 C ATOM 963 CG TYR A 66 -8.519 -3.867 -3.733 1.00 0.00 C ATOM 964 CD1 TYR A 66 -9.858 -4.160 -4.013 1.00 0.00 C ATOM 965 CD2 TYR A 66 -7.810 -4.650 -2.808 1.00 0.00 C ATOM 966 CE1 TYR A 66 -10.490 -5.233 -3.374 1.00 0.00 C ATOM 967 CE2 TYR A 66 -8.445 -5.724 -2.170 1.00 0.00 C ATOM 968 CZ TYR A 66 -9.783 -6.016 -2.454 1.00 0.00 C ATOM 969 OH TYR A 66 -10.407 -7.074 -1.825 1.00 0.00 O ATOM 0 H TYR A 66 -6.441 -4.495 -6.096 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.850 -2.718 -6.372 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.821 -2.601 -4.079 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.363 -1.774 -4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.405 -3.557 -4.723 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.777 -4.425 -2.589 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.524 -5.457 -3.591 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.901 -6.327 -1.458 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.775 -7.513 -1.219 1.00 0.00 H new ATOM 979 N PRO A 67 -7.149 -1.681 -7.886 1.00 0.00 N ATOM 980 CA PRO A 67 -6.265 -0.782 -8.661 1.00 0.00 C ATOM 981 C PRO A 67 -6.098 0.550 -7.929 1.00 0.00 C ATOM 982 O PRO A 67 -6.936 1.426 -8.011 1.00 0.00 O ATOM 983 CB PRO A 67 -7.031 -0.605 -9.976 1.00 0.00 C ATOM 984 CG PRO A 67 -8.284 -1.504 -9.941 1.00 0.00 C ATOM 985 CD PRO A 67 -8.345 -2.213 -8.580 1.00 0.00 C ATOM 0 HA PRO A 67 -5.257 -1.169 -8.808 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.318 0.438 -10.109 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.397 -0.872 -10.822 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.182 -0.906 -10.096 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.246 -2.237 -10.747 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.264 -1.979 -8.042 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.304 -3.297 -8.685 1.00 0.00 H new ATOM 993 N SER A 68 -5.027 0.703 -7.201 1.00 0.00 N ATOM 994 CA SER A 68 -4.818 1.976 -6.450 1.00 0.00 C ATOM 995 C SER A 68 -3.699 2.807 -7.079 1.00 0.00 C ATOM 996 O SER A 68 -3.303 2.594 -8.208 1.00 0.00 O ATOM 997 CB SER A 68 -4.423 1.539 -5.041 1.00 0.00 C ATOM 998 OG SER A 68 -3.009 1.408 -4.971 1.00 0.00 O ATOM 0 H SER A 68 -4.290 0.006 -7.093 1.00 0.00 H new ATOM 0 HA SER A 68 -5.711 2.601 -6.459 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.769 2.270 -4.310 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.901 0.591 -4.794 1.00 0.00 H new ATOM 0 HG SER A 68 -2.690 1.757 -4.112 1.00 0.00 H new ATOM 1004 N SER A 69 -3.193 3.757 -6.344 1.00 0.00 N ATOM 1005 CA SER A 69 -2.103 4.623 -6.864 1.00 0.00 C ATOM 1006 C SER A 69 -1.195 5.019 -5.704 1.00 0.00 C ATOM 1007 O SER A 69 -1.361 4.550 -4.596 1.00 0.00 O ATOM 1008 CB SER A 69 -2.807 5.849 -7.444 1.00 0.00 C ATOM 1009 OG SER A 69 -2.939 5.691 -8.850 1.00 0.00 O ATOM 0 H SER A 69 -3.493 3.972 -5.393 1.00 0.00 H new ATOM 0 HA SER A 69 -1.487 4.130 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.789 5.970 -6.986 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.237 6.751 -7.219 1.00 0.00 H new ATOM 0 HG SER A 69 -3.081 4.745 -9.061 1.00 0.00 H new ATOM 1015 N VAL A 70 -0.227 5.855 -5.935 1.00 0.00 N ATOM 1016 CA VAL A 70 0.678 6.229 -4.821 1.00 0.00 C ATOM 1017 C VAL A 70 1.029 7.711 -4.838 1.00 0.00 C ATOM 1018 O VAL A 70 1.228 8.309 -5.878 1.00 0.00 O ATOM 1019 CB VAL A 70 1.907 5.370 -5.061 1.00 0.00 C ATOM 1020 CG1 VAL A 70 2.784 6.001 -6.147 1.00 0.00 C ATOM 1021 CG2 VAL A 70 2.707 5.239 -3.763 1.00 0.00 C ATOM 0 H VAL A 70 -0.025 6.291 -6.835 1.00 0.00 H new ATOM 0 HA VAL A 70 0.222 6.064 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 70 1.590 4.381 -5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.663 5.378 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.215 6.080 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.098 6.995 -5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.588 4.622 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.018 6.228 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.085 4.774 -2.998 1.00 0.00 H new ATOM 1031 N LYS A 71 1.115 8.302 -3.680 1.00 0.00 N ATOM 1032 CA LYS A 71 1.461 9.737 -3.604 1.00 0.00 C ATOM 1033 C LYS A 71 2.568 9.944 -2.567 1.00 0.00 C ATOM 1034 O LYS A 71 2.320 10.339 -1.445 1.00 0.00 O ATOM 1035 CB LYS A 71 0.173 10.418 -3.166 1.00 0.00 C ATOM 1036 CG LYS A 71 0.490 11.831 -2.704 1.00 0.00 C ATOM 1037 CD LYS A 71 0.003 12.013 -1.269 1.00 0.00 C ATOM 1038 CE LYS A 71 -0.328 13.487 -1.028 1.00 0.00 C ATOM 1039 NZ LYS A 71 -1.815 13.560 -1.077 1.00 0.00 N ATOM 0 H LYS A 71 0.959 7.846 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 71 1.830 10.138 -4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.539 10.443 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.295 9.854 -2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.563 12.013 -2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.008 12.557 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.879 11.397 -1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.769 11.682 -0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.052 13.825 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.124 14.123 -1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.120 14.542 -0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.148 13.239 -2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.217 12.950 -0.337 1.00 0.00 H new ATOM 1053 N GLN A 72 3.787 9.679 -2.938 1.00 0.00 N ATOM 1054 CA GLN A 72 4.916 9.857 -1.981 1.00 0.00 C ATOM 1055 C GLN A 72 4.751 11.167 -1.207 1.00 0.00 C ATOM 1056 O GLN A 72 4.096 12.058 -1.721 1.00 0.00 O ATOM 1057 CB GLN A 72 6.172 9.901 -2.852 1.00 0.00 C ATOM 1058 CG GLN A 72 7.359 9.341 -2.066 1.00 0.00 C ATOM 1059 CD GLN A 72 8.611 10.164 -2.372 1.00 0.00 C ATOM 1060 OE1 GLN A 72 8.578 11.059 -3.194 1.00 0.00 O ATOM 1061 NE2 GLN A 72 9.722 9.897 -1.743 1.00 0.00 N ATOM 1062 OXT GLN A 72 5.280 11.256 -0.111 1.00 0.00 O ATOM 0 H GLN A 72 4.053 9.346 -3.865 1.00 0.00 H new ATOM 0 HA GLN A 72 4.962 9.056 -1.243 1.00 0.00 H new ATOM 0 HB2 GLN A 72 6.017 9.320 -3.761 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.378 10.926 -3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.146 9.368 -0.997 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.524 8.297 -2.332 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.750 9.146 -1.053 1.00 0.00 H new ATOM 0 HE22 GLN A 72 10.563 10.439 -1.941 1.00 0.00 H new TER 1071 GLN A 72 HETATM 1072 HG HG A 73 -15.010 -3.030 0.325 1.00 0.00 HG