USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 612 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 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -157:sc= -0.0306 (180deg=-0.241) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.47 USER MOD Single : A 30 ASN : amide:sc= -1.04 K(o=-1,f=-1.9!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 38 THR OG1 : rot 81:sc= 1.3 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -73:sc= 0.355 USER MOD Single : A 43 MET CE :methyl -103:sc= -0.111 (180deg=-0.475) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= -1.62 (180deg=-2.52) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 145:sc= 0.0862 USER MOD Single : A 51 THR OG1 : rot 140:sc= -0.346 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 76:sc= 1.22 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -140:sc= 0.0857 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 2.820 1.227 -3.025 1.00 4.14 N ATOM 2 CA MET A 9 2.833 0.148 -2.043 1.00 51.52 C ATOM 3 C MET A 9 2.474 -1.183 -2.695 1.00 33.35 C ATOM 4 O MET A 9 3.320 -2.066 -2.834 1.00 63.33 O ATOM 5 CB MET A 9 1.856 0.453 -0.906 1.00 51.31 C ATOM 6 CG MET A 9 2.540 0.818 0.402 1.00 60.34 C ATOM 7 SD MET A 9 1.661 2.102 1.311 1.00 14.41 S ATOM 8 CE MET A 9 1.536 1.346 2.930 1.00 2.40 C ATOM 0 HA MET A 9 3.841 0.073 -1.635 1.00 51.52 H new ATOM 0 HB2 MET A 9 1.205 1.274 -1.208 1.00 51.31 H new ATOM 0 HB3 MET A 9 1.218 -0.416 -0.743 1.00 51.31 H new ATOM 0 HG2 MET A 9 2.621 -0.072 1.026 1.00 60.34 H new ATOM 0 HG3 MET A 9 3.555 1.156 0.195 1.00 60.34 H new ATOM 0 HE1 MET A 9 1.014 2.022 3.608 1.00 2.40 H new ATOM 0 HE2 MET A 9 0.982 0.410 2.853 1.00 2.40 H new ATOM 0 HE3 MET A 9 2.535 1.146 3.316 1.00 2.40 H new ATOM 18 N LYS A 10 1.213 -1.322 -3.091 1.00 42.22 N ATOM 19 CA LYS A 10 0.741 -2.545 -3.729 1.00 23.32 C ATOM 20 C LYS A 10 0.006 -2.233 -5.028 1.00 52.11 C ATOM 21 O LYS A 10 -0.778 -1.285 -5.096 1.00 62.41 O ATOM 22 CB LYS A 10 -0.181 -3.316 -2.781 1.00 3.20 C ATOM 23 CG LYS A 10 0.373 -4.666 -2.358 1.00 54.41 C ATOM 24 CD LYS A 10 -0.735 -5.690 -2.175 1.00 41.22 C ATOM 25 CE LYS A 10 -0.827 -6.160 -0.732 1.00 2.45 C ATOM 26 NZ LYS A 10 0.411 -6.865 -0.298 1.00 71.10 N ATOM 0 H LYS A 10 0.499 -0.602 -2.981 1.00 42.22 H new ATOM 0 HA LYS A 10 1.609 -3.161 -3.963 1.00 23.32 H new ATOM 0 HB2 LYS A 10 -0.361 -2.712 -1.892 1.00 3.20 H new ATOM 0 HB3 LYS A 10 -1.146 -3.464 -3.267 1.00 3.20 H new ATOM 0 HG2 LYS A 10 1.079 -5.022 -3.108 1.00 54.41 H new ATOM 0 HG3 LYS A 10 0.927 -4.557 -1.426 1.00 54.41 H new ATOM 0 HD2 LYS A 10 -1.687 -5.255 -2.478 1.00 41.22 H new ATOM 0 HD3 LYS A 10 -0.553 -6.545 -2.826 1.00 41.22 H new ATOM 0 HE2 LYS A 10 -1.004 -5.303 -0.082 1.00 2.45 H new ATOM 0 HE3 LYS A 10 -1.682 -6.827 -0.621 1.00 2.45 H new ATOM 0 HZ1 LYS A 10 0.191 -7.491 0.503 1.00 71.10 H new ATOM 0 HZ2 LYS A 10 0.784 -7.430 -1.088 1.00 71.10 H new ATOM 0 HZ3 LYS A 10 1.124 -6.167 -0.005 1.00 71.10 H new ATOM 40 N ILE A 11 0.262 -3.036 -6.055 1.00 42.54 N ATOM 41 CA ILE A 11 -0.378 -2.845 -7.351 1.00 61.41 C ATOM 42 C ILE A 11 -0.787 -4.181 -7.963 1.00 52.32 C ATOM 43 O ILE A 11 -0.090 -5.184 -7.815 1.00 21.53 O ATOM 44 CB ILE A 11 0.549 -2.106 -8.334 1.00 11.53 C ATOM 45 CG1 ILE A 11 1.869 -2.863 -8.492 1.00 1.41 C ATOM 46 CG2 ILE A 11 0.802 -0.684 -7.855 1.00 55.31 C ATOM 47 CD1 ILE A 11 2.301 -3.029 -9.932 1.00 24.11 C ATOM 0 H ILE A 11 0.908 -3.825 -6.015 1.00 42.54 H new ATOM 0 HA ILE A 11 -1.267 -2.239 -7.178 1.00 61.41 H new ATOM 0 HB ILE A 11 0.060 -2.060 -9.307 1.00 11.53 H new ATOM 0 HG12 ILE A 11 2.650 -2.334 -7.946 1.00 1.41 H new ATOM 0 HG13 ILE A 11 1.771 -3.848 -8.035 1.00 1.41 H new ATOM 0 HG21 ILE A 11 1.459 -0.174 -8.560 1.00 55.31 H new ATOM 0 HG22 ILE A 11 -0.145 -0.148 -7.789 1.00 55.31 H new ATOM 0 HG23 ILE A 11 1.274 -0.709 -6.873 1.00 55.31 H new ATOM 0 HD11 ILE A 11 3.244 -3.574 -9.968 1.00 24.11 H new ATOM 0 HD12 ILE A 11 1.539 -3.585 -10.479 1.00 24.11 H new ATOM 0 HD13 ILE A 11 2.432 -2.048 -10.388 1.00 24.11 H new ATOM 59 N LYS A 12 -1.922 -4.185 -8.654 1.00 72.31 N ATOM 60 CA LYS A 12 -2.425 -5.396 -9.293 1.00 3.12 C ATOM 61 C LYS A 12 -2.514 -5.216 -10.805 1.00 24.50 C ATOM 62 O LYS A 12 -3.195 -4.315 -11.293 1.00 52.41 O ATOM 63 CB LYS A 12 -3.800 -5.761 -8.730 1.00 52.21 C ATOM 64 CG LYS A 12 -3.900 -7.199 -8.253 1.00 31.31 C ATOM 65 CD LYS A 12 -5.234 -7.472 -7.579 1.00 14.11 C ATOM 66 CE LYS A 12 -5.072 -8.374 -6.365 1.00 4.41 C ATOM 67 NZ LYS A 12 -6.326 -8.462 -5.568 1.00 33.43 N ATOM 0 H LYS A 12 -2.511 -3.363 -8.786 1.00 72.31 H new ATOM 0 HA LYS A 12 -1.726 -6.206 -9.082 1.00 3.12 H new ATOM 0 HB2 LYS A 12 -4.032 -5.095 -7.899 1.00 52.21 H new ATOM 0 HB3 LYS A 12 -4.555 -5.588 -9.497 1.00 52.21 H new ATOM 0 HG2 LYS A 12 -3.775 -7.874 -9.100 1.00 31.31 H new ATOM 0 HG3 LYS A 12 -3.089 -7.409 -7.555 1.00 31.31 H new ATOM 0 HD2 LYS A 12 -5.689 -6.529 -7.275 1.00 14.11 H new ATOM 0 HD3 LYS A 12 -5.914 -7.938 -8.292 1.00 14.11 H new ATOM 0 HE2 LYS A 12 -4.778 -9.372 -6.691 1.00 4.41 H new ATOM 0 HE3 LYS A 12 -4.267 -7.994 -5.735 1.00 4.41 H new ATOM 0 HZ1 LYS A 12 -6.174 -9.086 -4.750 1.00 33.43 H new ATOM 0 HZ2 LYS A 12 -6.593 -7.514 -5.235 1.00 33.43 H new ATOM 0 HZ3 LYS A 12 -7.088 -8.848 -6.161 1.00 33.43 H new ATOM 81 N ILE A 13 -1.823 -6.081 -11.540 1.00 44.24 N ATOM 82 CA ILE A 13 -1.826 -6.018 -12.997 1.00 35.43 C ATOM 83 C ILE A 13 -2.544 -7.223 -13.597 1.00 4.04 C ATOM 84 O ILE A 13 -2.212 -8.370 -13.296 1.00 41.20 O ATOM 85 CB ILE A 13 -0.395 -5.954 -13.561 1.00 50.22 C ATOM 86 CG1 ILE A 13 -0.429 -5.870 -15.089 1.00 11.14 C ATOM 87 CG2 ILE A 13 0.408 -7.165 -13.110 1.00 14.35 C ATOM 88 CD1 ILE A 13 0.421 -4.753 -15.652 1.00 3.35 C ATOM 0 H ILE A 13 -1.254 -6.833 -11.151 1.00 44.24 H new ATOM 0 HA ILE A 13 -2.357 -5.107 -13.273 1.00 35.43 H new ATOM 0 HB ILE A 13 0.091 -5.057 -13.177 1.00 50.22 H new ATOM 0 HG12 ILE A 13 -0.089 -6.819 -15.505 1.00 11.14 H new ATOM 0 HG13 ILE A 13 -1.460 -5.730 -15.414 1.00 11.14 H new ATOM 0 HG21 ILE A 13 1.417 -7.105 -13.517 1.00 14.35 H new ATOM 0 HG22 ILE A 13 0.457 -7.184 -12.021 1.00 14.35 H new ATOM 0 HG23 ILE A 13 -0.074 -8.075 -13.468 1.00 14.35 H new ATOM 0 HD11 ILE A 13 0.349 -4.754 -16.740 1.00 3.35 H new ATOM 0 HD12 ILE A 13 0.068 -3.797 -15.265 1.00 3.35 H new ATOM 0 HD13 ILE A 13 1.460 -4.902 -15.357 1.00 3.35 H new ATOM 100 N VAL A 14 -3.528 -6.955 -14.449 1.00 11.24 N ATOM 101 CA VAL A 14 -4.291 -8.017 -15.094 1.00 50.50 C ATOM 102 C VAL A 14 -3.806 -8.253 -16.520 1.00 23.23 C ATOM 103 O VAL A 14 -4.036 -7.448 -17.422 1.00 42.31 O ATOM 104 CB VAL A 14 -5.796 -7.688 -15.123 1.00 64.34 C ATOM 105 CG1 VAL A 14 -6.602 -8.915 -15.521 1.00 33.23 C ATOM 106 CG2 VAL A 14 -6.251 -7.155 -13.773 1.00 64.23 C ATOM 0 H VAL A 14 -3.816 -6.012 -14.709 1.00 11.24 H new ATOM 0 HA VAL A 14 -4.135 -8.921 -14.506 1.00 50.50 H new ATOM 0 HB VAL A 14 -5.967 -6.912 -15.870 1.00 64.34 H new ATOM 0 HG11 VAL A 14 -7.663 -8.664 -15.536 1.00 33.23 H new ATOM 0 HG12 VAL A 14 -6.293 -9.247 -16.512 1.00 33.23 H new ATOM 0 HG13 VAL A 14 -6.428 -9.714 -14.800 1.00 33.23 H new ATOM 0 HG21 VAL A 14 -7.316 -6.928 -13.812 1.00 64.23 H new ATOM 0 HG22 VAL A 14 -6.068 -7.906 -13.005 1.00 64.23 H new ATOM 0 HG23 VAL A 14 -5.695 -6.248 -13.534 1.00 64.23 H new ATOM 116 N PRO A 15 -3.118 -9.385 -16.730 1.00 64.13 N ATOM 117 CA PRO A 15 -2.586 -9.755 -18.045 1.00 61.33 C ATOM 118 C PRO A 15 -3.687 -10.126 -19.033 1.00 14.44 C ATOM 119 O PRO A 15 -4.603 -10.878 -18.702 1.00 30.21 O ATOM 120 CB PRO A 15 -1.708 -10.972 -17.743 1.00 4.00 C ATOM 121 CG PRO A 15 -2.282 -11.554 -16.497 1.00 42.35 C ATOM 122 CD PRO A 15 -2.806 -10.391 -15.701 1.00 32.00 C ATOM 0 HA PRO A 15 -2.049 -8.930 -18.514 1.00 61.33 H new ATOM 0 HB2 PRO A 15 -1.731 -11.690 -18.563 1.00 4.00 H new ATOM 0 HB3 PRO A 15 -0.666 -10.683 -17.602 1.00 4.00 H new ATOM 0 HG2 PRO A 15 -3.080 -12.260 -16.727 1.00 42.35 H new ATOM 0 HG3 PRO A 15 -1.524 -12.101 -15.936 1.00 42.35 H new ATOM 0 HD2 PRO A 15 -3.690 -10.664 -15.125 1.00 32.00 H new ATOM 0 HD3 PRO A 15 -2.065 -10.023 -14.991 1.00 32.00 H new ATOM 130 N ALA A 16 -3.592 -9.592 -20.246 1.00 62.11 N ATOM 131 CA ALA A 16 -4.579 -9.869 -21.282 1.00 41.22 C ATOM 132 C ALA A 16 -4.124 -11.013 -22.182 1.00 50.54 C ATOM 133 O ALA A 16 -4.031 -10.858 -23.400 1.00 70.13 O ATOM 134 CB ALA A 16 -4.843 -8.618 -22.107 1.00 61.03 C ATOM 0 H ALA A 16 -2.841 -8.965 -20.535 1.00 62.11 H new ATOM 0 HA ALA A 16 -5.506 -10.172 -20.795 1.00 41.22 H new ATOM 0 HB1 ALA A 16 -5.582 -8.839 -22.877 1.00 61.03 H new ATOM 0 HB2 ALA A 16 -5.220 -7.827 -21.458 1.00 61.03 H new ATOM 0 HB3 ALA A 16 -3.916 -8.290 -22.577 1.00 61.03 H new ATOM 140 N VAL A 17 -3.841 -12.161 -21.575 1.00 43.34 N ATOM 141 CA VAL A 17 -3.396 -13.331 -22.322 1.00 44.14 C ATOM 142 C VAL A 17 -4.506 -14.370 -22.429 1.00 11.00 C ATOM 143 O VAL A 17 -4.563 -15.315 -21.644 1.00 34.41 O ATOM 144 CB VAL A 17 -2.162 -13.980 -21.667 1.00 1.52 C ATOM 145 CG1 VAL A 17 -2.408 -14.218 -20.185 1.00 32.40 C ATOM 146 CG2 VAL A 17 -1.805 -15.279 -22.373 1.00 13.12 C ATOM 0 H VAL A 17 -3.912 -12.306 -20.568 1.00 43.34 H new ATOM 0 HA VAL A 17 -3.128 -12.985 -23.320 1.00 44.14 H new ATOM 0 HB VAL A 17 -1.318 -13.297 -21.765 1.00 1.52 H new ATOM 0 HG11 VAL A 17 -1.526 -14.677 -19.739 1.00 32.40 H new ATOM 0 HG12 VAL A 17 -2.611 -13.267 -19.692 1.00 32.40 H new ATOM 0 HG13 VAL A 17 -3.264 -14.881 -20.060 1.00 32.40 H new ATOM 0 HG21 VAL A 17 -0.931 -15.724 -21.897 1.00 13.12 H new ATOM 0 HG22 VAL A 17 -2.645 -15.971 -22.308 1.00 13.12 H new ATOM 0 HG23 VAL A 17 -1.583 -15.075 -23.420 1.00 13.12 H new ATOM 156 N GLY A 18 -5.388 -14.188 -23.407 1.00 41.34 N ATOM 157 CA GLY A 18 -6.485 -15.117 -23.599 1.00 75.55 C ATOM 158 C GLY A 18 -7.231 -15.409 -22.312 1.00 5.00 C ATOM 159 O GLY A 18 -7.413 -16.568 -21.941 1.00 54.40 O ATOM 0 H GLY A 18 -5.362 -13.413 -24.070 1.00 41.34 H new ATOM 0 HA2 GLY A 18 -7.179 -14.707 -24.333 1.00 75.55 H new ATOM 0 HA3 GLY A 18 -6.099 -16.049 -24.011 1.00 75.55 H new ATOM 163 N GLY A 19 -7.661 -14.354 -21.627 1.00 2.31 N ATOM 164 CA GLY A 19 -8.383 -14.523 -20.380 1.00 34.22 C ATOM 165 C GLY A 19 -7.468 -14.870 -19.222 1.00 75.42 C ATOM 166 O GLY A 19 -7.809 -15.701 -18.380 1.00 45.45 O ATOM 0 H GLY A 19 -7.522 -13.385 -21.914 1.00 2.31 H new ATOM 0 HA2 GLY A 19 -8.923 -13.605 -20.149 1.00 34.22 H new ATOM 0 HA3 GLY A 19 -9.128 -15.310 -20.499 1.00 34.22 H new ATOM 170 N GLY A 20 -6.302 -14.234 -19.180 1.00 42.12 N ATOM 171 CA GLY A 20 -5.352 -14.495 -18.114 1.00 53.03 C ATOM 172 C GLY A 20 -5.917 -14.177 -16.744 1.00 71.20 C ATOM 173 O GLY A 20 -7.119 -13.955 -16.597 1.00 21.23 O ATOM 0 H GLY A 20 -5.998 -13.542 -19.865 1.00 42.12 H new ATOM 0 HA2 GLY A 20 -5.053 -15.543 -18.146 1.00 53.03 H new ATOM 0 HA3 GLY A 20 -4.453 -13.902 -18.280 1.00 53.03 H new ATOM 177 N SER A 21 -5.049 -14.157 -15.738 1.00 2.31 N ATOM 178 CA SER A 21 -5.469 -13.869 -14.371 1.00 62.24 C ATOM 179 C SER A 21 -4.617 -12.759 -13.764 1.00 14.35 C ATOM 180 O SER A 21 -3.422 -12.639 -14.034 1.00 31.45 O ATOM 181 CB SER A 21 -5.373 -15.130 -13.510 1.00 73.11 C ATOM 182 OG SER A 21 -6.526 -15.282 -12.699 1.00 65.44 O ATOM 0 H SER A 21 -4.051 -14.337 -15.843 1.00 2.31 H new ATOM 0 HA SER A 21 -6.506 -13.534 -14.398 1.00 62.24 H new ATOM 0 HB2 SER A 21 -5.257 -16.004 -14.151 1.00 73.11 H new ATOM 0 HB3 SER A 21 -4.485 -15.077 -12.880 1.00 73.11 H new ATOM 0 HG SER A 21 -6.442 -16.096 -12.159 1.00 65.44 H new ATOM 188 N PRO A 22 -5.247 -11.925 -12.922 1.00 62.11 N ATOM 189 CA PRO A 22 -4.567 -10.809 -12.257 1.00 71.33 C ATOM 190 C PRO A 22 -3.574 -11.282 -11.202 1.00 5.14 C ATOM 191 O PRO A 22 -3.797 -12.291 -10.531 1.00 51.14 O ATOM 192 CB PRO A 22 -5.714 -10.034 -11.604 1.00 21.35 C ATOM 193 CG PRO A 22 -6.790 -11.045 -11.405 1.00 62.43 C ATOM 194 CD PRO A 22 -6.670 -12.008 -12.554 1.00 53.04 C ATOM 0 HA PRO A 22 -3.977 -10.216 -12.956 1.00 71.33 H new ATOM 0 HB2 PRO A 22 -5.405 -9.593 -10.656 1.00 21.35 H new ATOM 0 HB3 PRO A 22 -6.052 -9.216 -12.241 1.00 21.35 H new ATOM 0 HG2 PRO A 22 -6.671 -11.559 -10.451 1.00 62.43 H new ATOM 0 HG3 PRO A 22 -7.772 -10.573 -11.393 1.00 62.43 H new ATOM 0 HD2 PRO A 22 -6.951 -13.020 -12.261 1.00 53.04 H new ATOM 0 HD3 PRO A 22 -7.317 -11.725 -13.384 1.00 53.04 H new ATOM 202 N LEU A 23 -2.476 -10.547 -11.058 1.00 32.14 N ATOM 203 CA LEU A 23 -1.448 -10.891 -10.082 1.00 3.00 C ATOM 204 C LEU A 23 -1.106 -9.691 -9.205 1.00 45.53 C ATOM 205 O LEU A 23 -1.026 -8.561 -9.687 1.00 64.24 O ATOM 206 CB LEU A 23 -0.190 -11.393 -10.793 1.00 43.41 C ATOM 207 CG LEU A 23 0.487 -12.617 -10.176 1.00 2.12 C ATOM 208 CD1 LEU A 23 1.792 -12.925 -10.894 1.00 53.35 C ATOM 209 CD2 LEU A 23 0.733 -12.398 -8.690 1.00 45.22 C ATOM 0 H LEU A 23 -2.275 -9.710 -11.605 1.00 32.14 H new ATOM 0 HA LEU A 23 -1.838 -11.684 -9.444 1.00 3.00 H new ATOM 0 HB2 LEU A 23 -0.450 -11.628 -11.825 1.00 43.41 H new ATOM 0 HB3 LEU A 23 0.535 -10.579 -10.824 1.00 43.41 H new ATOM 0 HG LEU A 23 -0.178 -13.473 -10.292 1.00 2.12 H new ATOM 0 HD11 LEU A 23 2.259 -13.799 -10.441 1.00 53.35 H new ATOM 0 HD12 LEU A 23 1.590 -13.126 -11.946 1.00 53.35 H new ATOM 0 HD13 LEU A 23 2.464 -12.071 -10.811 1.00 53.35 H new ATOM 0 HD21 LEU A 23 1.215 -13.279 -8.267 1.00 45.22 H new ATOM 0 HD22 LEU A 23 1.378 -11.530 -8.552 1.00 45.22 H new ATOM 0 HD23 LEU A 23 -0.218 -12.228 -8.185 1.00 45.22 H new ATOM 221 N GLU A 24 -0.903 -9.944 -7.916 1.00 63.22 N ATOM 222 CA GLU A 24 -0.568 -8.884 -6.973 1.00 44.42 C ATOM 223 C GLU A 24 0.926 -8.885 -6.661 1.00 21.20 C ATOM 224 O GLU A 24 1.503 -9.924 -6.337 1.00 63.23 O ATOM 225 CB GLU A 24 -1.370 -9.048 -5.681 1.00 11.42 C ATOM 226 CG GLU A 24 -0.958 -10.256 -4.857 1.00 64.14 C ATOM 227 CD GLU A 24 -2.146 -11.013 -4.297 1.00 21.04 C ATOM 228 OE1 GLU A 24 -3.013 -10.372 -3.666 1.00 62.20 O ATOM 229 OE2 GLU A 24 -2.209 -12.245 -4.488 1.00 20.33 O ATOM 0 H GLU A 24 -0.965 -10.874 -7.501 1.00 63.22 H new ATOM 0 HA GLU A 24 -0.825 -7.930 -7.433 1.00 44.42 H new ATOM 0 HB2 GLU A 24 -1.254 -8.149 -5.075 1.00 11.42 H new ATOM 0 HB3 GLU A 24 -2.428 -9.132 -5.929 1.00 11.42 H new ATOM 0 HG2 GLU A 24 -0.363 -10.928 -5.476 1.00 64.14 H new ATOM 0 HG3 GLU A 24 -0.320 -9.930 -4.036 1.00 64.14 H new ATOM 236 N LEU A 25 1.546 -7.715 -6.761 1.00 4.20 N ATOM 237 CA LEU A 25 2.974 -7.580 -6.490 1.00 55.30 C ATOM 238 C LEU A 25 3.272 -6.258 -5.790 1.00 41.32 C ATOM 239 O LEU A 25 2.519 -5.293 -5.919 1.00 21.01 O ATOM 240 CB LEU A 25 3.771 -7.672 -7.792 1.00 71.11 C ATOM 241 CG LEU A 25 3.381 -8.808 -8.739 1.00 23.03 C ATOM 242 CD1 LEU A 25 2.463 -8.296 -9.837 1.00 72.04 C ATOM 243 CD2 LEU A 25 4.623 -9.454 -9.337 1.00 12.44 C ATOM 0 H LEU A 25 1.083 -6.846 -7.028 1.00 4.20 H new ATOM 0 HA LEU A 25 3.273 -8.395 -5.830 1.00 55.30 H new ATOM 0 HB2 LEU A 25 3.666 -6.728 -8.327 1.00 71.11 H new ATOM 0 HB3 LEU A 25 4.826 -7.781 -7.542 1.00 71.11 H new ATOM 0 HG LEU A 25 2.843 -9.564 -8.167 1.00 23.03 H new ATOM 0 HD11 LEU A 25 2.196 -9.118 -10.501 1.00 72.04 H new ATOM 0 HD12 LEU A 25 1.559 -7.881 -9.391 1.00 72.04 H new ATOM 0 HD13 LEU A 25 2.975 -7.521 -10.407 1.00 72.04 H new ATOM 0 HD21 LEU A 25 4.327 -10.260 -10.008 1.00 12.44 H new ATOM 0 HD22 LEU A 25 5.189 -8.707 -9.894 1.00 12.44 H new ATOM 0 HD23 LEU A 25 5.244 -9.858 -8.537 1.00 12.44 H new ATOM 255 N GLU A 26 4.377 -6.221 -5.052 1.00 32.24 N ATOM 256 CA GLU A 26 4.775 -5.016 -4.333 1.00 31.40 C ATOM 257 C GLU A 26 5.914 -4.304 -5.055 1.00 45.44 C ATOM 258 O GLU A 26 7.048 -4.783 -5.075 1.00 42.02 O ATOM 259 CB GLU A 26 5.200 -5.365 -2.905 1.00 44.31 C ATOM 260 CG GLU A 26 6.257 -6.454 -2.833 1.00 70.45 C ATOM 261 CD GLU A 26 5.735 -7.733 -2.206 1.00 42.45 C ATOM 262 OE1 GLU A 26 4.970 -8.454 -2.879 1.00 33.52 O ATOM 263 OE2 GLU A 26 6.093 -8.011 -1.043 1.00 1.13 O ATOM 0 H GLU A 26 5.012 -7.011 -4.936 1.00 32.24 H new ATOM 0 HA GLU A 26 3.917 -4.345 -4.295 1.00 31.40 H new ATOM 0 HB2 GLU A 26 5.582 -4.467 -2.419 1.00 44.31 H new ATOM 0 HB3 GLU A 26 4.323 -5.684 -2.342 1.00 44.31 H new ATOM 0 HG2 GLU A 26 6.621 -6.669 -3.838 1.00 70.45 H new ATOM 0 HG3 GLU A 26 7.108 -6.092 -2.256 1.00 70.45 H new ATOM 270 N VAL A 27 5.604 -3.155 -5.649 1.00 25.21 N ATOM 271 CA VAL A 27 6.601 -2.375 -6.372 1.00 64.14 C ATOM 272 C VAL A 27 6.422 -0.883 -6.118 1.00 11.31 C ATOM 273 O VAL A 27 5.406 -0.453 -5.572 1.00 73.54 O ATOM 274 CB VAL A 27 6.528 -2.639 -7.888 1.00 44.41 C ATOM 275 CG1 VAL A 27 6.748 -4.114 -8.185 1.00 22.21 C ATOM 276 CG2 VAL A 27 5.194 -2.167 -8.447 1.00 5.11 C ATOM 0 H VAL A 27 4.670 -2.744 -5.643 1.00 25.21 H new ATOM 0 HA VAL A 27 7.577 -2.689 -6.002 1.00 64.14 H new ATOM 0 HB VAL A 27 7.321 -2.073 -8.376 1.00 44.41 H new ATOM 0 HG11 VAL A 27 6.693 -4.281 -9.261 1.00 22.21 H new ATOM 0 HG12 VAL A 27 7.730 -4.416 -7.821 1.00 22.21 H new ATOM 0 HG13 VAL A 27 5.979 -4.704 -7.686 1.00 22.21 H new ATOM 0 HG21 VAL A 27 5.160 -2.361 -9.519 1.00 5.11 H new ATOM 0 HG22 VAL A 27 4.383 -2.704 -7.955 1.00 5.11 H new ATOM 0 HG23 VAL A 27 5.083 -1.098 -8.268 1.00 5.11 H new ATOM 286 N ALA A 28 7.416 -0.096 -6.517 1.00 71.23 N ATOM 287 CA ALA A 28 7.367 1.349 -6.335 1.00 11.10 C ATOM 288 C ALA A 28 7.501 2.076 -7.669 1.00 71.40 C ATOM 289 O ALA A 28 8.530 2.006 -8.341 1.00 23.32 O ATOM 290 CB ALA A 28 8.459 1.797 -5.376 1.00 5.44 C ATOM 0 H ALA A 28 8.265 -0.435 -6.969 1.00 71.23 H new ATOM 0 HA ALA A 28 6.397 1.604 -5.909 1.00 11.10 H new ATOM 0 HB1 ALA A 28 8.411 2.879 -5.249 1.00 5.44 H new ATOM 0 HB2 ALA A 28 8.317 1.312 -4.410 1.00 5.44 H new ATOM 0 HB3 ALA A 28 9.433 1.522 -5.780 1.00 5.44 H new ATOM 296 N PRO A 29 6.437 2.790 -8.064 1.00 53.02 N ATOM 297 CA PRO A 29 6.411 3.543 -9.322 1.00 4.14 C ATOM 298 C PRO A 29 7.336 4.755 -9.290 1.00 43.02 C ATOM 299 O PRO A 29 7.618 5.359 -10.324 1.00 45.00 O ATOM 300 CB PRO A 29 4.951 3.988 -9.440 1.00 24.54 C ATOM 301 CG PRO A 29 4.450 4.018 -8.037 1.00 43.40 C ATOM 302 CD PRO A 29 5.176 2.918 -7.314 1.00 3.04 C ATOM 0 HA PRO A 29 6.757 2.943 -10.164 1.00 4.14 H new ATOM 0 HB2 PRO A 29 4.873 4.969 -9.909 1.00 24.54 H new ATOM 0 HB3 PRO A 29 4.374 3.295 -10.052 1.00 24.54 H new ATOM 0 HG2 PRO A 29 4.646 4.985 -7.573 1.00 43.40 H new ATOM 0 HG3 PRO A 29 3.372 3.861 -8.004 1.00 43.40 H new ATOM 0 HD2 PRO A 29 5.354 3.173 -6.269 1.00 3.04 H new ATOM 0 HD3 PRO A 29 4.607 1.988 -7.323 1.00 3.04 H new ATOM 310 N ASN A 30 7.805 5.105 -8.097 1.00 25.21 N ATOM 311 CA ASN A 30 8.699 6.245 -7.931 1.00 41.43 C ATOM 312 C ASN A 30 10.152 5.836 -8.155 1.00 34.52 C ATOM 313 O ASN A 30 11.071 6.618 -7.917 1.00 24.51 O ATOM 314 CB ASN A 30 8.537 6.848 -6.534 1.00 52.44 C ATOM 315 CG ASN A 30 8.999 5.905 -5.440 1.00 52.34 C ATOM 316 OD1 ASN A 30 8.215 5.114 -4.916 1.00 22.11 O ATOM 317 ND2 ASN A 30 10.277 5.986 -5.091 1.00 4.22 N ATOM 0 H ASN A 30 7.581 4.615 -7.231 1.00 25.21 H new ATOM 0 HA ASN A 30 8.433 6.994 -8.676 1.00 41.43 H new ATOM 0 HB2 ASN A 30 9.105 7.776 -6.474 1.00 52.44 H new ATOM 0 HB3 ASN A 30 7.490 7.104 -6.371 1.00 52.44 H new ATOM 0 HD21 ASN A 30 10.646 5.377 -4.361 1.00 4.22 H new ATOM 0 HD22 ASN A 30 10.890 6.657 -5.553 1.00 4.22 H new ATOM 324 N ALA A 31 10.349 4.604 -8.614 1.00 42.22 N ATOM 325 CA ALA A 31 11.689 4.091 -8.873 1.00 12.15 C ATOM 326 C ALA A 31 11.994 4.081 -10.367 1.00 31.44 C ATOM 327 O ALA A 31 12.703 4.951 -10.873 1.00 24.14 O ATOM 328 CB ALA A 31 11.840 2.693 -8.291 1.00 53.12 C ATOM 0 H ALA A 31 9.598 3.943 -8.814 1.00 42.22 H new ATOM 0 HA ALA A 31 12.406 4.754 -8.388 1.00 12.15 H new ATOM 0 HB1 ALA A 31 12.845 2.322 -8.492 1.00 53.12 H new ATOM 0 HB2 ALA A 31 11.674 2.727 -7.214 1.00 53.12 H new ATOM 0 HB3 ALA A 31 11.109 2.027 -8.750 1.00 53.12 H new ATOM 334 N THR A 32 11.454 3.089 -11.069 1.00 43.43 N ATOM 335 CA THR A 32 11.670 2.965 -12.505 1.00 64.42 C ATOM 336 C THR A 32 10.565 2.143 -13.158 1.00 61.42 C ATOM 337 O THR A 32 10.074 1.173 -12.580 1.00 2.13 O ATOM 338 CB THR A 32 13.031 2.311 -12.814 1.00 11.32 C ATOM 339 OG1 THR A 32 13.800 2.190 -11.612 1.00 32.41 O ATOM 340 CG2 THR A 32 13.805 3.130 -13.836 1.00 73.12 C ATOM 0 H THR A 32 10.864 2.361 -10.666 1.00 43.43 H new ATOM 0 HA THR A 32 11.659 3.975 -12.915 1.00 64.42 H new ATOM 0 HB THR A 32 12.847 1.320 -13.229 1.00 11.32 H new ATOM 0 HG1 THR A 32 14.663 1.772 -11.816 1.00 32.41 H new ATOM 0 HG21 THR A 32 14.762 2.649 -14.038 1.00 73.12 H new ATOM 0 HG22 THR A 32 13.230 3.197 -14.760 1.00 73.12 H new ATOM 0 HG23 THR A 32 13.978 4.132 -13.443 1.00 73.12 H new ATOM 348 N VAL A 33 10.177 2.536 -14.367 1.00 65.55 N ATOM 349 CA VAL A 33 9.131 1.834 -15.100 1.00 73.54 C ATOM 350 C VAL A 33 9.601 0.453 -15.543 1.00 22.41 C ATOM 351 O VAL A 33 8.897 -0.541 -15.366 1.00 4.21 O ATOM 352 CB VAL A 33 8.681 2.632 -16.339 1.00 34.45 C ATOM 353 CG1 VAL A 33 7.635 1.854 -17.124 1.00 3.41 C ATOM 354 CG2 VAL A 33 8.146 3.995 -15.927 1.00 52.15 C ATOM 0 H VAL A 33 10.572 3.337 -14.860 1.00 65.55 H new ATOM 0 HA VAL A 33 8.287 1.726 -14.419 1.00 73.54 H new ATOM 0 HB VAL A 33 9.545 2.786 -16.986 1.00 34.45 H new ATOM 0 HG11 VAL A 33 7.329 2.433 -17.995 1.00 3.41 H new ATOM 0 HG12 VAL A 33 8.057 0.903 -17.450 1.00 3.41 H new ATOM 0 HG13 VAL A 33 6.768 1.668 -16.490 1.00 3.41 H new ATOM 0 HG21 VAL A 33 7.832 4.546 -16.814 1.00 52.15 H new ATOM 0 HG22 VAL A 33 7.294 3.865 -15.260 1.00 52.15 H new ATOM 0 HG23 VAL A 33 8.928 4.552 -15.411 1.00 52.15 H new ATOM 364 N GLY A 34 10.798 0.398 -16.120 1.00 30.32 N ATOM 365 CA GLY A 34 11.343 -0.867 -16.579 1.00 11.43 C ATOM 366 C GLY A 34 11.604 -1.833 -15.440 1.00 75.03 C ATOM 367 O GLY A 34 11.470 -3.045 -15.604 1.00 21.43 O ATOM 0 H GLY A 34 11.400 1.206 -16.278 1.00 30.32 H new ATOM 0 HA2 GLY A 34 10.650 -1.323 -17.286 1.00 11.43 H new ATOM 0 HA3 GLY A 34 12.273 -0.685 -17.117 1.00 11.43 H new ATOM 371 N ALA A 35 11.978 -1.296 -14.284 1.00 11.41 N ATOM 372 CA ALA A 35 12.258 -2.119 -13.114 1.00 14.30 C ATOM 373 C ALA A 35 10.999 -2.829 -12.629 1.00 34.31 C ATOM 374 O ALA A 35 11.022 -4.025 -12.337 1.00 73.01 O ATOM 375 CB ALA A 35 12.849 -1.268 -11.999 1.00 74.24 C ATOM 0 H ALA A 35 12.094 -0.294 -14.132 1.00 11.41 H new ATOM 0 HA ALA A 35 12.985 -2.879 -13.400 1.00 14.30 H new ATOM 0 HB1 ALA A 35 13.053 -1.896 -11.132 1.00 74.24 H new ATOM 0 HB2 ALA A 35 13.777 -0.811 -12.343 1.00 74.24 H new ATOM 0 HB3 ALA A 35 12.141 -0.487 -11.723 1.00 74.24 H new ATOM 381 N VAL A 36 9.900 -2.085 -12.544 1.00 61.42 N ATOM 382 CA VAL A 36 8.631 -2.645 -12.095 1.00 11.44 C ATOM 383 C VAL A 36 8.083 -3.646 -13.105 1.00 20.21 C ATOM 384 O VAL A 36 7.642 -4.735 -12.738 1.00 32.31 O ATOM 385 CB VAL A 36 7.582 -1.541 -11.862 1.00 42.31 C ATOM 386 CG1 VAL A 36 6.247 -2.149 -11.461 1.00 12.50 C ATOM 387 CG2 VAL A 36 8.068 -0.558 -10.807 1.00 64.15 C ATOM 0 H VAL A 36 9.863 -1.093 -12.780 1.00 61.42 H new ATOM 0 HA VAL A 36 8.827 -3.156 -11.152 1.00 11.44 H new ATOM 0 HB VAL A 36 7.440 -0.996 -12.795 1.00 42.31 H new ATOM 0 HG11 VAL A 36 5.519 -1.354 -11.301 1.00 12.50 H new ATOM 0 HG12 VAL A 36 5.895 -2.809 -12.254 1.00 12.50 H new ATOM 0 HG13 VAL A 36 6.369 -2.720 -10.541 1.00 12.50 H new ATOM 0 HG21 VAL A 36 7.315 0.215 -10.655 1.00 64.15 H new ATOM 0 HG22 VAL A 36 8.240 -1.086 -9.869 1.00 64.15 H new ATOM 0 HG23 VAL A 36 8.998 -0.098 -11.140 1.00 64.15 H new ATOM 397 N ARG A 37 8.115 -3.270 -14.379 1.00 72.43 N ATOM 398 CA ARG A 37 7.621 -4.136 -15.444 1.00 13.44 C ATOM 399 C ARG A 37 8.402 -5.446 -15.486 1.00 12.31 C ATOM 400 O ARG A 37 7.829 -6.517 -15.687 1.00 70.20 O ATOM 401 CB ARG A 37 7.721 -3.426 -16.795 1.00 11.20 C ATOM 402 CG ARG A 37 7.168 -4.240 -17.953 1.00 62.22 C ATOM 403 CD ARG A 37 5.658 -4.393 -17.856 1.00 64.40 C ATOM 404 NE ARG A 37 5.276 -5.544 -17.042 1.00 63.31 N ATOM 405 CZ ARG A 37 5.453 -6.805 -17.423 1.00 11.44 C ATOM 406 NH1 ARG A 37 6.003 -7.075 -18.598 1.00 41.23 N ATOM 407 NH2 ARG A 37 5.079 -7.798 -16.626 1.00 42.02 N ATOM 0 H ARG A 37 8.478 -2.372 -14.699 1.00 72.43 H new ATOM 0 HA ARG A 37 6.575 -4.363 -15.238 1.00 13.44 H new ATOM 0 HB2 ARG A 37 7.184 -2.479 -16.739 1.00 11.20 H new ATOM 0 HB3 ARG A 37 8.766 -3.189 -16.995 1.00 11.20 H new ATOM 0 HG2 ARG A 37 7.426 -3.756 -18.895 1.00 62.22 H new ATOM 0 HG3 ARG A 37 7.635 -5.225 -17.962 1.00 62.22 H new ATOM 0 HD2 ARG A 37 5.229 -3.487 -17.428 1.00 64.40 H new ATOM 0 HD3 ARG A 37 5.240 -4.502 -18.857 1.00 64.40 H new ATOM 0 HE ARG A 37 4.850 -5.371 -16.131 1.00 63.31 H new ATOM 0 HH11 ARG A 37 6.292 -6.314 -19.213 1.00 41.23 H new ATOM 0 HH12 ARG A 37 6.138 -8.044 -18.888 1.00 41.23 H new ATOM 0 HH21 ARG A 37 4.656 -7.594 -15.721 1.00 42.02 H new ATOM 0 HH22 ARG A 37 5.215 -8.766 -16.919 1.00 42.02 H new ATOM 421 N THR A 38 9.714 -5.353 -15.296 1.00 3.35 N ATOM 422 CA THR A 38 10.575 -6.529 -15.314 1.00 35.14 C ATOM 423 C THR A 38 10.326 -7.411 -14.095 1.00 53.14 C ATOM 424 O THR A 38 10.334 -8.638 -14.192 1.00 61.30 O ATOM 425 CB THR A 38 12.063 -6.136 -15.353 1.00 43.20 C ATOM 426 OG1 THR A 38 12.327 -5.332 -16.509 1.00 24.54 O ATOM 427 CG2 THR A 38 12.949 -7.372 -15.375 1.00 62.35 C ATOM 0 H THR A 38 10.204 -4.474 -15.128 1.00 3.35 H new ATOM 0 HA THR A 38 10.330 -7.086 -16.219 1.00 35.14 H new ATOM 0 HB THR A 38 12.289 -5.563 -14.453 1.00 43.20 H new ATOM 0 HG1 THR A 38 12.067 -4.405 -16.329 1.00 24.54 H new ATOM 0 HG21 THR A 38 13.996 -7.069 -15.402 1.00 62.35 H new ATOM 0 HG22 THR A 38 12.767 -7.966 -14.480 1.00 62.35 H new ATOM 0 HG23 THR A 38 12.720 -7.968 -16.259 1.00 62.35 H new ATOM 435 N LYS A 39 10.103 -6.778 -12.948 1.00 64.33 N ATOM 436 CA LYS A 39 9.850 -7.505 -11.710 1.00 13.21 C ATOM 437 C LYS A 39 8.564 -8.320 -11.811 1.00 1.54 C ATOM 438 O LYS A 39 8.524 -9.485 -11.417 1.00 73.43 O ATOM 439 CB LYS A 39 9.758 -6.531 -10.533 1.00 20.12 C ATOM 440 CG LYS A 39 10.369 -7.068 -9.250 1.00 71.31 C ATOM 441 CD LYS A 39 11.568 -6.242 -8.815 1.00 32.51 C ATOM 442 CE LYS A 39 12.867 -6.815 -9.361 1.00 31.44 C ATOM 443 NZ LYS A 39 13.490 -7.779 -8.412 1.00 32.24 N ATOM 0 H LYS A 39 10.092 -5.763 -12.850 1.00 64.33 H new ATOM 0 HA LYS A 39 10.681 -8.190 -11.543 1.00 13.21 H new ATOM 0 HB2 LYS A 39 10.258 -5.601 -10.802 1.00 20.12 H new ATOM 0 HB3 LYS A 39 8.710 -6.289 -10.353 1.00 20.12 H new ATOM 0 HG2 LYS A 39 9.618 -7.066 -8.460 1.00 71.31 H new ATOM 0 HG3 LYS A 39 10.674 -8.104 -9.397 1.00 71.31 H new ATOM 0 HD2 LYS A 39 11.448 -5.215 -9.160 1.00 32.51 H new ATOM 0 HD3 LYS A 39 11.613 -6.209 -7.726 1.00 32.51 H new ATOM 0 HE2 LYS A 39 12.673 -7.314 -10.311 1.00 31.44 H new ATOM 0 HE3 LYS A 39 13.565 -6.003 -9.564 1.00 31.44 H new ATOM 0 HZ1 LYS A 39 14.373 -8.147 -8.821 1.00 32.24 H new ATOM 0 HZ2 LYS A 39 13.699 -7.297 -7.514 1.00 32.24 H new ATOM 0 HZ3 LYS A 39 12.834 -8.567 -8.237 1.00 32.24 H new ATOM 457 N VAL A 40 7.515 -7.699 -12.341 1.00 43.34 N ATOM 458 CA VAL A 40 6.229 -8.367 -12.496 1.00 71.24 C ATOM 459 C VAL A 40 6.305 -9.468 -13.549 1.00 12.33 C ATOM 460 O VAL A 40 5.831 -10.583 -13.330 1.00 74.24 O ATOM 461 CB VAL A 40 5.122 -7.371 -12.890 1.00 44.21 C ATOM 462 CG1 VAL A 40 3.794 -8.090 -13.065 1.00 74.04 C ATOM 463 CG2 VAL A 40 5.007 -6.266 -11.851 1.00 51.42 C ATOM 0 H VAL A 40 7.531 -6.734 -12.670 1.00 43.34 H new ATOM 0 HA VAL A 40 5.983 -8.808 -11.530 1.00 71.24 H new ATOM 0 HB VAL A 40 5.389 -6.916 -13.844 1.00 44.21 H new ATOM 0 HG11 VAL A 40 3.024 -7.370 -13.343 1.00 74.04 H new ATOM 0 HG12 VAL A 40 3.888 -8.842 -13.849 1.00 74.04 H new ATOM 0 HG13 VAL A 40 3.516 -8.574 -12.129 1.00 74.04 H new ATOM 0 HG21 VAL A 40 4.220 -5.571 -12.145 1.00 51.42 H new ATOM 0 HG22 VAL A 40 4.763 -6.702 -10.882 1.00 51.42 H new ATOM 0 HG23 VAL A 40 5.955 -5.733 -11.781 1.00 51.42 H new ATOM 473 N CYS A 41 6.904 -9.147 -14.690 1.00 1.21 N ATOM 474 CA CYS A 41 7.042 -10.109 -15.778 1.00 2.42 C ATOM 475 C CYS A 41 7.766 -11.365 -15.304 1.00 41.23 C ATOM 476 O CYS A 41 7.342 -12.483 -15.592 1.00 35.42 O ATOM 477 CB CYS A 41 7.799 -9.480 -16.949 1.00 32.11 C ATOM 478 SG CYS A 41 7.611 -10.370 -18.512 1.00 22.14 S ATOM 0 H CYS A 41 7.302 -8.228 -14.886 1.00 1.21 H new ATOM 0 HA CYS A 41 6.043 -10.391 -16.110 1.00 2.42 H new ATOM 0 HB2 CYS A 41 7.453 -8.455 -17.083 1.00 32.11 H new ATOM 0 HB3 CYS A 41 8.858 -9.429 -16.697 1.00 32.11 H new ATOM 0 HG CYS A 41 8.303 -11.470 -18.471 1.00 22.14 H new ATOM 484 N ALA A 42 8.862 -11.171 -14.578 1.00 63.52 N ATOM 485 CA ALA A 42 9.645 -12.289 -14.065 1.00 2.44 C ATOM 486 C ALA A 42 8.836 -13.115 -13.071 1.00 71.53 C ATOM 487 O ALA A 42 8.891 -14.345 -13.083 1.00 12.20 O ATOM 488 CB ALA A 42 10.924 -11.782 -13.414 1.00 51.11 C ATOM 0 H ALA A 42 9.228 -10.251 -14.332 1.00 63.52 H new ATOM 0 HA ALA A 42 9.907 -12.933 -14.905 1.00 2.44 H new ATOM 0 HB1 ALA A 42 11.499 -12.627 -13.035 1.00 51.11 H new ATOM 0 HB2 ALA A 42 11.517 -11.240 -14.151 1.00 51.11 H new ATOM 0 HB3 ALA A 42 10.673 -11.115 -12.589 1.00 51.11 H new ATOM 494 N MET A 43 8.086 -12.433 -12.213 1.00 12.44 N ATOM 495 CA MET A 43 7.265 -13.105 -11.213 1.00 33.42 C ATOM 496 C MET A 43 6.253 -14.035 -11.876 1.00 12.51 C ATOM 497 O MET A 43 5.854 -15.047 -11.300 1.00 54.03 O ATOM 498 CB MET A 43 6.538 -12.078 -10.343 1.00 54.35 C ATOM 499 CG MET A 43 7.037 -12.033 -8.909 1.00 22.35 C ATOM 500 SD MET A 43 7.925 -10.510 -8.529 1.00 32.41 S ATOM 501 CE MET A 43 7.431 -10.246 -6.828 1.00 0.23 C ATOM 0 H MET A 43 8.030 -11.415 -12.190 1.00 12.44 H new ATOM 0 HA MET A 43 7.923 -13.703 -10.582 1.00 33.42 H new ATOM 0 HB2 MET A 43 6.652 -11.090 -10.790 1.00 54.35 H new ATOM 0 HB3 MET A 43 5.472 -12.306 -10.341 1.00 54.35 H new ATOM 0 HG2 MET A 43 6.190 -12.134 -8.230 1.00 22.35 H new ATOM 0 HG3 MET A 43 7.692 -12.885 -8.730 1.00 22.35 H new ATOM 0 HE1 MET A 43 6.673 -9.464 -6.787 1.00 0.23 H new ATOM 0 HE2 MET A 43 7.022 -11.170 -6.420 1.00 0.23 H new ATOM 0 HE3 MET A 43 8.297 -9.943 -6.240 1.00 0.23 H new ATOM 511 N LYS A 44 5.841 -13.684 -13.090 1.00 1.14 N ATOM 512 CA LYS A 44 4.877 -14.486 -13.832 1.00 75.24 C ATOM 513 C LYS A 44 5.579 -15.372 -14.857 1.00 2.35 C ATOM 514 O LYS A 44 4.965 -16.256 -15.453 1.00 61.33 O ATOM 515 CB LYS A 44 3.863 -13.581 -14.535 1.00 52.35 C ATOM 516 CG LYS A 44 2.730 -14.340 -15.205 1.00 23.15 C ATOM 517 CD LYS A 44 1.382 -13.971 -14.608 1.00 44.10 C ATOM 518 CE LYS A 44 1.046 -14.844 -13.409 1.00 75.10 C ATOM 519 NZ LYS A 44 -0.209 -14.405 -12.738 1.00 12.30 N ATOM 0 H LYS A 44 6.160 -12.849 -13.580 1.00 1.14 H new ATOM 0 HA LYS A 44 4.353 -15.126 -13.122 1.00 75.24 H new ATOM 0 HB2 LYS A 44 3.443 -12.886 -13.807 1.00 52.35 H new ATOM 0 HB3 LYS A 44 4.381 -12.983 -15.284 1.00 52.35 H new ATOM 0 HG2 LYS A 44 2.727 -14.123 -16.273 1.00 23.15 H new ATOM 0 HG3 LYS A 44 2.895 -15.412 -15.098 1.00 23.15 H new ATOM 0 HD2 LYS A 44 1.391 -12.924 -14.306 1.00 44.10 H new ATOM 0 HD3 LYS A 44 0.606 -14.077 -15.366 1.00 44.10 H new ATOM 0 HE2 LYS A 44 0.942 -15.880 -13.732 1.00 75.10 H new ATOM 0 HE3 LYS A 44 1.869 -14.813 -12.695 1.00 75.10 H new ATOM 0 HZ1 LYS A 44 -0.289 -14.872 -11.812 1.00 12.30 H new ATOM 0 HZ2 LYS A 44 -0.189 -13.374 -12.605 1.00 12.30 H new ATOM 0 HZ3 LYS A 44 -1.026 -14.662 -13.328 1.00 12.30 H new ATOM 533 N LYS A 45 6.870 -15.129 -15.055 1.00 24.13 N ATOM 534 CA LYS A 45 7.658 -15.906 -16.004 1.00 44.24 C ATOM 535 C LYS A 45 7.138 -15.716 -17.426 1.00 25.51 C ATOM 536 O LYS A 45 6.807 -16.685 -18.111 1.00 21.22 O ATOM 537 CB LYS A 45 7.627 -17.390 -15.632 1.00 14.32 C ATOM 538 CG LYS A 45 8.842 -18.164 -16.113 1.00 14.21 C ATOM 539 CD LYS A 45 8.504 -19.621 -16.381 1.00 41.12 C ATOM 540 CE LYS A 45 8.527 -19.933 -17.870 1.00 21.55 C ATOM 541 NZ LYS A 45 8.821 -21.370 -18.130 1.00 52.11 N ATOM 0 H LYS A 45 7.393 -14.400 -14.571 1.00 24.13 H new ATOM 0 HA LYS A 45 8.687 -15.550 -15.961 1.00 44.24 H new ATOM 0 HB2 LYS A 45 7.553 -17.483 -14.548 1.00 14.32 H new ATOM 0 HB3 LYS A 45 6.729 -17.842 -16.052 1.00 14.32 H new ATOM 0 HG2 LYS A 45 9.230 -17.706 -17.023 1.00 14.21 H new ATOM 0 HG3 LYS A 45 9.632 -18.104 -15.365 1.00 14.21 H new ATOM 0 HD2 LYS A 45 9.217 -20.262 -15.863 1.00 41.12 H new ATOM 0 HD3 LYS A 45 7.518 -19.848 -15.976 1.00 41.12 H new ATOM 0 HE2 LYS A 45 7.564 -19.674 -18.311 1.00 21.55 H new ATOM 0 HE3 LYS A 45 9.279 -19.314 -18.359 1.00 21.55 H new ATOM 0 HZ1 LYS A 45 8.828 -21.543 -19.156 1.00 52.11 H new ATOM 0 HZ2 LYS A 45 9.751 -21.612 -17.732 1.00 52.11 H new ATOM 0 HZ3 LYS A 45 8.090 -21.960 -17.684 1.00 52.11 H new ATOM 555 N LEU A 46 7.071 -14.464 -17.864 1.00 72.32 N ATOM 556 CA LEU A 46 6.593 -14.148 -19.206 1.00 34.13 C ATOM 557 C LEU A 46 7.718 -13.582 -20.065 1.00 51.45 C ATOM 558 O LEU A 46 8.731 -13.095 -19.563 1.00 42.13 O ATOM 559 CB LEU A 46 5.437 -13.148 -19.134 1.00 63.11 C ATOM 560 CG LEU A 46 4.053 -13.740 -18.866 1.00 50.21 C ATOM 561 CD1 LEU A 46 3.032 -12.633 -18.651 1.00 21.42 C ATOM 562 CD2 LEU A 46 3.628 -14.644 -20.014 1.00 42.01 C ATOM 0 H LEU A 46 7.341 -13.651 -17.310 1.00 72.32 H new ATOM 0 HA LEU A 46 6.239 -15.071 -19.666 1.00 34.13 H new ATOM 0 HB2 LEU A 46 5.658 -12.423 -18.350 1.00 63.11 H new ATOM 0 HB3 LEU A 46 5.399 -12.599 -20.075 1.00 63.11 H new ATOM 0 HG LEU A 46 4.105 -14.340 -17.958 1.00 50.21 H new ATOM 0 HD11 LEU A 46 2.053 -13.073 -18.462 1.00 21.42 H new ATOM 0 HD12 LEU A 46 3.328 -12.026 -17.796 1.00 21.42 H new ATOM 0 HD13 LEU A 46 2.982 -12.006 -19.541 1.00 21.42 H new ATOM 0 HD21 LEU A 46 2.641 -15.056 -19.806 1.00 42.01 H new ATOM 0 HD22 LEU A 46 3.593 -14.067 -20.938 1.00 42.01 H new ATOM 0 HD23 LEU A 46 4.346 -15.457 -20.122 1.00 42.01 H new ATOM 574 N PRO A 47 7.537 -13.643 -21.393 1.00 62.41 N ATOM 575 CA PRO A 47 8.525 -13.139 -22.351 1.00 5.21 C ATOM 576 C PRO A 47 8.622 -11.617 -22.336 1.00 63.14 C ATOM 577 O PRO A 47 7.696 -10.908 -22.731 1.00 22.30 O ATOM 578 CB PRO A 47 7.993 -13.628 -23.700 1.00 45.14 C ATOM 579 CG PRO A 47 6.527 -13.787 -23.494 1.00 33.50 C ATOM 580 CD PRO A 47 6.354 -14.210 -22.061 1.00 73.34 C ATOM 0 HA PRO A 47 9.531 -13.490 -22.122 1.00 5.21 H new ATOM 0 HB2 PRO A 47 8.206 -12.911 -24.493 1.00 45.14 H new ATOM 0 HB3 PRO A 47 8.457 -14.571 -23.990 1.00 45.14 H new ATOM 0 HG2 PRO A 47 6.002 -12.853 -23.691 1.00 33.50 H new ATOM 0 HG3 PRO A 47 6.116 -14.533 -24.174 1.00 33.50 H new ATOM 0 HD2 PRO A 47 5.428 -13.822 -21.636 1.00 73.34 H new ATOM 0 HD3 PRO A 47 6.319 -15.295 -21.964 1.00 73.34 H new ATOM 588 N PRO A 48 9.770 -11.101 -21.872 1.00 13.25 N ATOM 589 CA PRO A 48 10.015 -9.658 -21.796 1.00 11.54 C ATOM 590 C PRO A 48 10.174 -9.023 -23.173 1.00 75.22 C ATOM 591 O PRO A 48 9.919 -7.832 -23.352 1.00 34.13 O ATOM 592 CB PRO A 48 11.324 -9.561 -21.009 1.00 22.15 C ATOM 593 CG PRO A 48 12.009 -10.862 -21.251 1.00 52.22 C ATOM 594 CD PRO A 48 10.916 -11.886 -21.385 1.00 22.23 C ATOM 0 HA PRO A 48 9.183 -9.128 -21.333 1.00 11.54 H new ATOM 0 HB2 PRO A 48 11.931 -8.724 -21.353 1.00 22.15 H new ATOM 0 HB3 PRO A 48 11.137 -9.404 -19.947 1.00 22.15 H new ATOM 0 HG2 PRO A 48 12.618 -10.821 -22.154 1.00 52.22 H new ATOM 0 HG3 PRO A 48 12.678 -11.110 -20.427 1.00 52.22 H new ATOM 0 HD2 PRO A 48 11.189 -12.675 -22.085 1.00 22.23 H new ATOM 0 HD3 PRO A 48 10.697 -12.367 -20.432 1.00 22.23 H new ATOM 602 N ASP A 49 10.595 -9.826 -24.144 1.00 24.01 N ATOM 603 CA ASP A 49 10.786 -9.343 -25.507 1.00 25.14 C ATOM 604 C ASP A 49 9.465 -8.873 -26.107 1.00 2.02 C ATOM 605 O ASP A 49 9.408 -7.844 -26.780 1.00 54.53 O ATOM 606 CB ASP A 49 11.395 -10.442 -26.379 1.00 70.12 C ATOM 607 CG ASP A 49 12.878 -10.236 -26.620 1.00 14.03 C ATOM 608 OD1 ASP A 49 13.650 -10.281 -25.639 1.00 51.40 O ATOM 609 OD2 ASP A 49 13.266 -10.031 -27.789 1.00 13.14 O ATOM 0 H ASP A 49 10.811 -10.814 -24.013 1.00 24.01 H new ATOM 0 HA ASP A 49 11.471 -8.495 -25.474 1.00 25.14 H new ATOM 0 HB2 ASP A 49 11.239 -11.409 -25.901 1.00 70.12 H new ATOM 0 HB3 ASP A 49 10.875 -10.472 -27.337 1.00 70.12 H new ATOM 614 N THR A 50 8.404 -9.635 -25.859 1.00 41.31 N ATOM 615 CA THR A 50 7.084 -9.298 -26.377 1.00 11.25 C ATOM 616 C THR A 50 6.113 -8.985 -25.244 1.00 11.21 C ATOM 617 O THR A 50 5.116 -9.683 -25.055 1.00 25.33 O ATOM 618 CB THR A 50 6.507 -10.442 -27.231 1.00 35.22 C ATOM 619 OG1 THR A 50 6.876 -11.707 -26.670 1.00 10.22 O ATOM 620 CG2 THR A 50 7.006 -10.352 -28.665 1.00 24.33 C ATOM 0 H THR A 50 8.433 -10.489 -25.303 1.00 41.31 H new ATOM 0 HA THR A 50 7.206 -8.414 -27.003 1.00 11.25 H new ATOM 0 HB THR A 50 5.421 -10.350 -27.235 1.00 35.22 H new ATOM 0 HG1 THR A 50 6.147 -12.349 -26.803 1.00 10.22 H new ATOM 0 HG21 THR A 50 6.585 -11.171 -29.249 1.00 24.33 H new ATOM 0 HG22 THR A 50 6.697 -9.401 -29.099 1.00 24.33 H new ATOM 0 HG23 THR A 50 8.094 -10.420 -28.677 1.00 24.33 H new ATOM 628 N THR A 51 6.409 -7.929 -24.492 1.00 33.13 N ATOM 629 CA THR A 51 5.562 -7.524 -23.377 1.00 10.41 C ATOM 630 C THR A 51 5.472 -6.005 -23.279 1.00 23.14 C ATOM 631 O THR A 51 6.443 -5.298 -23.549 1.00 50.22 O ATOM 632 CB THR A 51 6.086 -8.083 -22.041 1.00 31.21 C ATOM 633 OG1 THR A 51 5.054 -8.032 -21.050 1.00 34.31 O ATOM 634 CG2 THR A 51 7.296 -7.295 -21.561 1.00 75.13 C ATOM 0 H THR A 51 7.229 -7.339 -24.635 1.00 33.13 H new ATOM 0 HA THR A 51 4.570 -7.933 -23.569 1.00 10.41 H new ATOM 0 HB THR A 51 6.386 -9.119 -22.199 1.00 31.21 H new ATOM 0 HG1 THR A 51 5.081 -8.848 -20.507 1.00 34.31 H new ATOM 0 HG21 THR A 51 7.648 -7.709 -20.616 1.00 75.13 H new ATOM 0 HG22 THR A 51 8.091 -7.360 -22.304 1.00 75.13 H new ATOM 0 HG23 THR A 51 7.017 -6.251 -21.419 1.00 75.13 H new ATOM 642 N ARG A 52 4.302 -5.510 -22.889 1.00 41.02 N ATOM 643 CA ARG A 52 4.086 -4.074 -22.756 1.00 22.33 C ATOM 644 C ARG A 52 3.229 -3.765 -21.532 1.00 3.13 C ATOM 645 O ARG A 52 2.554 -4.644 -20.995 1.00 24.35 O ATOM 646 CB ARG A 52 3.417 -3.519 -24.014 1.00 12.51 C ATOM 647 CG ARG A 52 4.043 -2.228 -24.518 1.00 32.34 C ATOM 648 CD ARG A 52 5.323 -2.496 -25.293 1.00 5.14 C ATOM 649 NE ARG A 52 6.153 -1.300 -25.409 1.00 1.42 N ATOM 650 CZ ARG A 52 7.170 -1.190 -26.256 1.00 63.20 C ATOM 651 NH1 ARG A 52 7.481 -2.200 -27.057 1.00 45.44 N ATOM 652 NH2 ARG A 52 7.878 -0.069 -26.303 1.00 43.12 N ATOM 0 H ARG A 52 3.489 -6.082 -22.660 1.00 41.02 H new ATOM 0 HA ARG A 52 5.057 -3.596 -22.629 1.00 22.33 H new ATOM 0 HB2 ARG A 52 3.467 -4.269 -24.803 1.00 12.51 H new ATOM 0 HB3 ARG A 52 2.361 -3.344 -23.807 1.00 12.51 H new ATOM 0 HG2 ARG A 52 3.333 -1.703 -25.157 1.00 32.34 H new ATOM 0 HG3 ARG A 52 4.258 -1.573 -23.674 1.00 32.34 H new ATOM 0 HD2 ARG A 52 5.889 -3.284 -24.796 1.00 5.14 H new ATOM 0 HD3 ARG A 52 5.074 -2.862 -26.289 1.00 5.14 H new ATOM 0 HE ARG A 52 5.940 -0.505 -24.806 1.00 1.42 H new ATOM 0 HH11 ARG A 52 6.939 -3.063 -27.023 1.00 45.44 H new ATOM 0 HH12 ARG A 52 8.262 -2.114 -27.707 1.00 45.44 H new ATOM 0 HH21 ARG A 52 7.642 0.710 -25.688 1.00 43.12 H new ATOM 0 HH22 ARG A 52 8.659 0.014 -26.954 1.00 43.12 H new ATOM 666 N LEU A 53 3.261 -2.511 -21.095 1.00 43.44 N ATOM 667 CA LEU A 53 2.488 -2.084 -19.934 1.00 70.52 C ATOM 668 C LEU A 53 1.785 -0.758 -20.205 1.00 3.12 C ATOM 669 O LEU A 53 2.381 0.175 -20.745 1.00 25.41 O ATOM 670 CB LEU A 53 3.398 -1.953 -18.711 1.00 54.34 C ATOM 671 CG LEU A 53 2.879 -1.063 -17.582 1.00 14.44 C ATOM 672 CD1 LEU A 53 1.546 -1.580 -17.064 1.00 35.01 C ATOM 673 CD2 LEU A 53 3.897 -0.985 -16.453 1.00 51.34 C ATOM 0 H LEU A 53 3.814 -1.771 -21.528 1.00 43.44 H new ATOM 0 HA LEU A 53 1.729 -2.841 -19.735 1.00 70.52 H new ATOM 0 HB2 LEU A 53 3.577 -2.950 -18.308 1.00 54.34 H new ATOM 0 HB3 LEU A 53 4.362 -1.564 -19.040 1.00 54.34 H new ATOM 0 HG LEU A 53 2.727 -0.059 -17.978 1.00 14.44 H new ATOM 0 HD11 LEU A 53 1.192 -0.934 -16.261 1.00 35.01 H new ATOM 0 HD12 LEU A 53 0.817 -1.583 -17.875 1.00 35.01 H new ATOM 0 HD13 LEU A 53 1.672 -2.594 -16.685 1.00 35.01 H new ATOM 0 HD21 LEU A 53 3.511 -0.347 -15.658 1.00 51.34 H new ATOM 0 HD22 LEU A 53 4.081 -1.985 -16.059 1.00 51.34 H new ATOM 0 HD23 LEU A 53 4.830 -0.567 -16.832 1.00 51.34 H new ATOM 685 N THR A 54 0.514 -0.679 -19.824 1.00 0.11 N ATOM 686 CA THR A 54 -0.270 0.533 -20.024 1.00 41.32 C ATOM 687 C THR A 54 -0.921 0.989 -18.723 1.00 64.51 C ATOM 688 O THR A 54 -1.613 0.216 -18.061 1.00 33.35 O ATOM 689 CB THR A 54 -1.365 0.325 -21.087 1.00 70.12 C ATOM 690 OG1 THR A 54 -1.348 -1.030 -21.549 1.00 64.34 O ATOM 691 CG2 THR A 54 -1.165 1.270 -22.263 1.00 20.53 C ATOM 0 H THR A 54 0.006 -1.441 -19.375 1.00 0.11 H new ATOM 0 HA THR A 54 0.421 1.302 -20.370 1.00 41.32 H new ATOM 0 HB THR A 54 -2.330 0.540 -20.629 1.00 70.12 H new ATOM 0 HG1 THR A 54 -2.048 -1.155 -22.223 1.00 64.34 H new ATOM 0 HG21 THR A 54 -1.950 1.104 -23.001 1.00 20.53 H new ATOM 0 HG22 THR A 54 -1.208 2.301 -21.913 1.00 20.53 H new ATOM 0 HG23 THR A 54 -0.193 1.082 -22.719 1.00 20.53 H new ATOM 699 N TYR A 55 -0.695 2.247 -18.363 1.00 25.13 N ATOM 700 CA TYR A 55 -1.258 2.804 -17.139 1.00 0.50 C ATOM 701 C TYR A 55 -2.042 4.080 -17.432 1.00 41.11 C ATOM 702 O TYR A 55 -1.533 5.004 -18.067 1.00 10.34 O ATOM 703 CB TYR A 55 -0.148 3.096 -16.128 1.00 63.10 C ATOM 704 CG TYR A 55 -0.625 3.844 -14.904 1.00 23.24 C ATOM 705 CD1 TYR A 55 -1.702 3.381 -14.158 1.00 51.23 C ATOM 706 CD2 TYR A 55 0.003 5.013 -14.491 1.00 41.05 C ATOM 707 CE1 TYR A 55 -2.142 4.062 -13.040 1.00 24.14 C ATOM 708 CE2 TYR A 55 -0.429 5.700 -13.373 1.00 63.51 C ATOM 709 CZ TYR A 55 -1.502 5.220 -12.651 1.00 4.32 C ATOM 710 OH TYR A 55 -1.935 5.901 -11.536 1.00 75.51 O ATOM 0 H TYR A 55 -0.126 2.900 -18.901 1.00 25.13 H new ATOM 0 HA TYR A 55 -1.941 2.067 -16.716 1.00 0.50 H new ATOM 0 HB2 TYR A 55 0.304 2.155 -15.815 1.00 63.10 H new ATOM 0 HB3 TYR A 55 0.634 3.677 -16.617 1.00 63.10 H new ATOM 0 HD1 TYR A 55 -2.204 2.473 -14.458 1.00 51.23 H new ATOM 0 HD2 TYR A 55 0.844 5.391 -15.054 1.00 41.05 H new ATOM 0 HE1 TYR A 55 -2.983 3.690 -12.473 1.00 24.14 H new ATOM 0 HE2 TYR A 55 0.070 6.607 -13.066 1.00 63.51 H new ATOM 0 HH TYR A 55 -1.641 5.429 -10.729 1.00 75.51 H new ATOM 720 N LYS A 56 -3.285 4.123 -16.964 1.00 42.34 N ATOM 721 CA LYS A 56 -4.141 5.285 -17.173 1.00 33.21 C ATOM 722 C LYS A 56 -4.270 5.606 -18.658 1.00 51.24 C ATOM 723 O LYS A 56 -4.390 6.768 -19.044 1.00 12.32 O ATOM 724 CB LYS A 56 -3.583 6.497 -16.424 1.00 44.15 C ATOM 725 CG LYS A 56 -4.656 7.397 -15.837 1.00 40.12 C ATOM 726 CD LYS A 56 -4.988 8.551 -16.769 1.00 25.31 C ATOM 727 CE LYS A 56 -6.372 8.394 -17.379 1.00 12.43 C ATOM 728 NZ LYS A 56 -6.819 9.638 -18.066 1.00 32.42 N ATOM 0 H LYS A 56 -3.722 3.367 -16.437 1.00 42.34 H new ATOM 0 HA LYS A 56 -5.131 5.050 -16.783 1.00 33.21 H new ATOM 0 HB2 LYS A 56 -2.933 6.149 -15.621 1.00 44.15 H new ATOM 0 HB3 LYS A 56 -2.964 7.081 -17.105 1.00 44.15 H new ATOM 0 HG2 LYS A 56 -5.556 6.813 -15.644 1.00 40.12 H new ATOM 0 HG3 LYS A 56 -4.319 7.789 -14.877 1.00 40.12 H new ATOM 0 HD2 LYS A 56 -4.936 9.491 -16.219 1.00 25.31 H new ATOM 0 HD3 LYS A 56 -4.243 8.605 -17.563 1.00 25.31 H new ATOM 0 HE2 LYS A 56 -6.364 7.569 -18.091 1.00 12.43 H new ATOM 0 HE3 LYS A 56 -7.086 8.134 -16.598 1.00 12.43 H new ATOM 0 HZ1 LYS A 56 -7.767 9.491 -18.469 1.00 32.42 H new ATOM 0 HZ2 LYS A 56 -6.851 10.420 -17.381 1.00 32.42 H new ATOM 0 HZ3 LYS A 56 -6.152 9.873 -18.828 1.00 32.42 H new ATOM 742 N GLY A 57 -4.246 4.568 -19.488 1.00 63.35 N ATOM 743 CA GLY A 57 -4.362 4.761 -20.922 1.00 51.00 C ATOM 744 C GLY A 57 -3.104 5.347 -21.532 1.00 54.40 C ATOM 745 O GLY A 57 -3.088 5.711 -22.708 1.00 71.42 O ATOM 0 H GLY A 57 -4.148 3.596 -19.193 1.00 63.35 H new ATOM 0 HA2 GLY A 57 -4.581 3.805 -21.398 1.00 51.00 H new ATOM 0 HA3 GLY A 57 -5.204 5.421 -21.130 1.00 51.00 H new ATOM 749 N ARG A 58 -2.048 5.442 -20.731 1.00 34.33 N ATOM 750 CA ARG A 58 -0.781 5.991 -21.198 1.00 14.11 C ATOM 751 C ARG A 58 0.361 5.012 -20.947 1.00 24.40 C ATOM 752 O ARG A 58 0.302 4.195 -20.028 1.00 53.04 O ATOM 753 CB ARG A 58 -0.490 7.321 -20.501 1.00 3.23 C ATOM 754 CG ARG A 58 -0.674 8.533 -21.399 1.00 54.21 C ATOM 755 CD ARG A 58 0.584 8.830 -22.199 1.00 42.42 C ATOM 756 NE ARG A 58 1.442 9.804 -21.529 1.00 32.03 N ATOM 757 CZ ARG A 58 2.690 10.064 -21.902 1.00 30.33 C ATOM 758 NH1 ARG A 58 3.223 9.426 -22.935 1.00 21.25 N ATOM 759 NH2 ARG A 58 3.407 10.964 -21.241 1.00 64.43 N ATOM 0 H ARG A 58 -2.045 5.146 -19.755 1.00 34.33 H new ATOM 0 HA ARG A 58 -0.861 6.161 -22.272 1.00 14.11 H new ATOM 0 HB2 ARG A 58 -1.145 7.418 -19.635 1.00 3.23 H new ATOM 0 HB3 ARG A 58 0.534 7.309 -20.127 1.00 3.23 H new ATOM 0 HG2 ARG A 58 -1.507 8.359 -22.080 1.00 54.21 H new ATOM 0 HG3 ARG A 58 -0.934 9.400 -20.792 1.00 54.21 H new ATOM 0 HD2 ARG A 58 1.140 7.906 -22.357 1.00 42.42 H new ATOM 0 HD3 ARG A 58 0.307 9.208 -23.183 1.00 42.42 H new ATOM 0 HE ARG A 58 1.062 10.312 -20.731 1.00 32.03 H new ATOM 0 HH11 ARG A 58 2.674 8.734 -23.445 1.00 21.25 H new ATOM 0 HH12 ARG A 58 4.182 9.627 -23.219 1.00 21.25 H new ATOM 0 HH21 ARG A 58 3.000 11.457 -20.446 1.00 64.43 H new ATOM 0 HH22 ARG A 58 4.365 11.163 -21.528 1.00 64.43 H new ATOM 773 N ALA A 59 1.401 5.100 -21.771 1.00 32.45 N ATOM 774 CA ALA A 59 2.557 4.223 -21.637 1.00 65.31 C ATOM 775 C ALA A 59 3.664 4.893 -20.829 1.00 71.53 C ATOM 776 O ALA A 59 3.813 6.115 -20.856 1.00 63.12 O ATOM 777 CB ALA A 59 3.074 3.818 -23.010 1.00 3.32 C ATOM 0 H ALA A 59 1.466 5.770 -22.538 1.00 32.45 H new ATOM 0 HA ALA A 59 2.243 3.328 -21.100 1.00 65.31 H new ATOM 0 HB1 ALA A 59 3.938 3.163 -22.895 1.00 3.32 H new ATOM 0 HB2 ALA A 59 2.289 3.292 -23.554 1.00 3.32 H new ATOM 0 HB3 ALA A 59 3.366 4.709 -23.566 1.00 3.32 H new ATOM 783 N LEU A 60 4.437 4.086 -20.111 1.00 71.40 N ATOM 784 CA LEU A 60 5.530 4.601 -19.294 1.00 64.42 C ATOM 785 C LEU A 60 6.804 3.792 -19.517 1.00 63.12 C ATOM 786 O LEU A 60 6.751 2.613 -19.868 1.00 41.03 O ATOM 787 CB LEU A 60 5.146 4.570 -17.814 1.00 33.20 C ATOM 788 CG LEU A 60 3.860 5.308 -17.439 1.00 61.21 C ATOM 789 CD1 LEU A 60 3.307 4.783 -16.123 1.00 64.42 C ATOM 790 CD2 LEU A 60 4.111 6.806 -17.354 1.00 52.41 C ATOM 0 H LEU A 60 4.327 3.072 -20.078 1.00 71.40 H new ATOM 0 HA LEU A 60 5.719 5.632 -19.592 1.00 64.42 H new ATOM 0 HB2 LEU A 60 5.047 3.529 -17.507 1.00 33.20 H new ATOM 0 HB3 LEU A 60 5.967 4.996 -17.237 1.00 33.20 H new ATOM 0 HG LEU A 60 3.120 5.127 -18.218 1.00 61.21 H new ATOM 0 HD11 LEU A 60 2.392 5.320 -15.873 1.00 64.42 H new ATOM 0 HD12 LEU A 60 3.089 3.719 -16.219 1.00 64.42 H new ATOM 0 HD13 LEU A 60 4.043 4.933 -15.333 1.00 64.42 H new ATOM 0 HD21 LEU A 60 3.185 7.315 -17.086 1.00 52.41 H new ATOM 0 HD22 LEU A 60 4.868 7.006 -16.595 1.00 52.41 H new ATOM 0 HD23 LEU A 60 4.460 7.172 -18.320 1.00 52.41 H new ATOM 802 N LYS A 61 7.950 4.433 -19.309 1.00 74.41 N ATOM 803 CA LYS A 61 9.238 3.773 -19.484 1.00 3.35 C ATOM 804 C LYS A 61 10.373 4.650 -18.962 1.00 72.43 C ATOM 805 O LYS A 61 10.905 4.413 -17.878 1.00 32.44 O ATOM 806 CB LYS A 61 9.471 3.445 -20.960 1.00 74.31 C ATOM 807 CG LYS A 61 10.855 2.891 -21.250 1.00 1.35 C ATOM 808 CD LYS A 61 10.817 1.836 -22.342 1.00 35.43 C ATOM 809 CE LYS A 61 10.420 0.475 -21.788 1.00 42.43 C ATOM 810 NZ LYS A 61 11.481 -0.545 -22.012 1.00 25.10 N ATOM 0 H LYS A 61 8.012 5.409 -19.019 1.00 74.41 H new ATOM 0 HA LYS A 61 9.224 2.846 -18.911 1.00 3.35 H new ATOM 0 HB2 LYS A 61 8.724 2.721 -21.285 1.00 74.31 H new ATOM 0 HB3 LYS A 61 9.319 4.347 -21.552 1.00 74.31 H new ATOM 0 HG2 LYS A 61 11.517 3.703 -21.551 1.00 1.35 H new ATOM 0 HG3 LYS A 61 11.273 2.459 -20.340 1.00 1.35 H new ATOM 0 HD2 LYS A 61 10.109 2.136 -23.115 1.00 35.43 H new ATOM 0 HD3 LYS A 61 11.796 1.766 -22.816 1.00 35.43 H new ATOM 0 HE2 LYS A 61 10.219 0.562 -20.720 1.00 42.43 H new ATOM 0 HE3 LYS A 61 9.494 0.146 -22.261 1.00 42.43 H new ATOM 0 HZ1 LYS A 61 11.173 -1.458 -21.621 1.00 25.10 H new ATOM 0 HZ2 LYS A 61 11.655 -0.647 -23.032 1.00 25.10 H new ATOM 0 HZ3 LYS A 61 12.357 -0.244 -21.540 1.00 25.10 H new ATOM 824 N ASP A 62 10.737 5.663 -19.741 1.00 20.44 N ATOM 825 CA ASP A 62 11.807 6.576 -19.356 1.00 12.10 C ATOM 826 C ASP A 62 11.326 7.559 -18.293 1.00 50.10 C ATOM 827 O ASP A 62 12.107 8.352 -17.766 1.00 20.25 O ATOM 828 CB ASP A 62 12.320 7.338 -20.579 1.00 14.53 C ATOM 829 CG ASP A 62 13.798 7.111 -20.824 1.00 42.24 C ATOM 830 OD1 ASP A 62 14.154 6.038 -21.355 1.00 72.12 O ATOM 831 OD2 ASP A 62 14.600 8.007 -20.487 1.00 31.03 O ATOM 0 H ASP A 62 10.307 5.872 -20.642 1.00 20.44 H new ATOM 0 HA ASP A 62 12.622 5.986 -18.937 1.00 12.10 H new ATOM 0 HB2 ASP A 62 11.757 7.028 -21.459 1.00 14.53 H new ATOM 0 HB3 ASP A 62 12.137 8.404 -20.443 1.00 14.53 H new ATOM 836 N THR A 63 10.034 7.503 -17.983 1.00 63.11 N ATOM 837 CA THR A 63 9.449 8.389 -16.985 1.00 54.13 C ATOM 838 C THR A 63 10.131 8.222 -15.633 1.00 23.43 C ATOM 839 O THR A 63 10.035 9.091 -14.767 1.00 43.25 O ATOM 840 CB THR A 63 7.939 8.130 -16.821 1.00 40.31 C ATOM 841 OG1 THR A 63 7.429 7.454 -17.976 1.00 44.30 O ATOM 842 CG2 THR A 63 7.185 9.436 -16.618 1.00 22.13 C ATOM 0 H THR A 63 9.373 6.853 -18.409 1.00 63.11 H new ATOM 0 HA THR A 63 9.600 9.408 -17.341 1.00 54.13 H new ATOM 0 HB THR A 63 7.794 7.504 -15.941 1.00 40.31 H new ATOM 0 HG1 THR A 63 6.548 7.817 -18.205 1.00 44.30 H new ATOM 0 HG21 THR A 63 6.121 9.228 -16.505 1.00 22.13 H new ATOM 0 HG22 THR A 63 7.555 9.934 -15.722 1.00 22.13 H new ATOM 0 HG23 THR A 63 7.338 10.083 -17.482 1.00 22.13 H new ATOM 850 N GLU A 64 10.821 7.099 -15.458 1.00 20.40 N ATOM 851 CA GLU A 64 11.520 6.819 -14.209 1.00 72.41 C ATOM 852 C GLU A 64 10.537 6.719 -13.046 1.00 52.12 C ATOM 853 O GLU A 64 10.124 5.626 -12.658 1.00 71.42 O ATOM 854 CB GLU A 64 12.556 7.907 -13.924 1.00 2.45 C ATOM 855 CG GLU A 64 13.209 7.783 -12.557 1.00 13.10 C ATOM 856 CD GLU A 64 14.719 7.675 -12.639 1.00 71.33 C ATOM 857 OE1 GLU A 64 15.372 8.693 -12.949 1.00 15.23 O ATOM 858 OE2 GLU A 64 15.248 6.570 -12.394 1.00 0.32 O ATOM 0 H GLU A 64 10.911 6.369 -16.165 1.00 20.40 H new ATOM 0 HA GLU A 64 12.030 5.861 -14.314 1.00 72.41 H new ATOM 0 HB2 GLU A 64 13.329 7.870 -14.691 1.00 2.45 H new ATOM 0 HB3 GLU A 64 12.076 8.883 -14.001 1.00 2.45 H new ATOM 0 HG2 GLU A 64 12.943 8.649 -11.952 1.00 13.10 H new ATOM 0 HG3 GLU A 64 12.813 6.904 -12.048 1.00 13.10 H new ATOM 865 N THR A 65 10.166 7.869 -12.493 1.00 14.54 N ATOM 866 CA THR A 65 9.233 7.913 -11.373 1.00 42.33 C ATOM 867 C THR A 65 7.839 8.321 -11.835 1.00 73.50 C ATOM 868 O THR A 65 7.676 8.915 -12.901 1.00 55.33 O ATOM 869 CB THR A 65 9.708 8.894 -10.285 1.00 0.23 C ATOM 870 OG1 THR A 65 9.510 10.244 -10.721 1.00 64.43 O ATOM 871 CG2 THR A 65 11.177 8.671 -9.959 1.00 1.32 C ATOM 0 H THR A 65 10.497 8.783 -12.802 1.00 14.54 H new ATOM 0 HA THR A 65 9.194 6.908 -10.954 1.00 42.33 H new ATOM 0 HB THR A 65 9.121 8.714 -9.384 1.00 0.23 H new ATOM 0 HG1 THR A 65 9.813 10.861 -10.023 1.00 64.43 H new ATOM 0 HG21 THR A 65 11.490 9.375 -9.188 1.00 1.32 H new ATOM 0 HG22 THR A 65 11.319 7.652 -9.599 1.00 1.32 H new ATOM 0 HG23 THR A 65 11.776 8.825 -10.856 1.00 1.32 H new ATOM 879 N LEU A 66 6.835 7.998 -11.027 1.00 23.34 N ATOM 880 CA LEU A 66 5.453 8.331 -11.352 1.00 51.01 C ATOM 881 C LEU A 66 4.874 9.307 -10.333 1.00 53.44 C ATOM 882 O LEU A 66 3.938 10.048 -10.632 1.00 74.24 O ATOM 883 CB LEU A 66 4.600 7.062 -11.402 1.00 12.32 C ATOM 884 CG LEU A 66 3.615 6.961 -12.567 1.00 61.32 C ATOM 885 CD1 LEU A 66 2.750 5.718 -12.428 1.00 70.33 C ATOM 886 CD2 LEU A 66 2.749 8.210 -12.644 1.00 61.41 C ATOM 0 H LEU A 66 6.953 7.506 -10.142 1.00 23.34 H new ATOM 0 HA LEU A 66 5.441 8.808 -12.332 1.00 51.01 H new ATOM 0 HB2 LEU A 66 5.267 6.201 -11.441 1.00 12.32 H new ATOM 0 HB3 LEU A 66 4.039 6.989 -10.470 1.00 12.32 H new ATOM 0 HG LEU A 66 4.184 6.881 -13.493 1.00 61.32 H new ATOM 0 HD11 LEU A 66 2.055 5.663 -13.266 1.00 70.33 H new ATOM 0 HD12 LEU A 66 3.385 4.832 -12.424 1.00 70.33 H new ATOM 0 HD13 LEU A 66 2.189 5.767 -11.494 1.00 70.33 H new ATOM 0 HD21 LEU A 66 2.054 8.120 -13.479 1.00 61.41 H new ATOM 0 HD22 LEU A 66 2.188 8.322 -11.716 1.00 61.41 H new ATOM 0 HD23 LEU A 66 3.383 9.084 -12.792 1.00 61.41 H new ATOM 898 N GLU A 67 5.439 9.304 -9.130 1.00 71.31 N ATOM 899 CA GLU A 67 4.979 10.191 -8.068 1.00 73.40 C ATOM 900 C GLU A 67 5.077 11.651 -8.498 1.00 54.35 C ATOM 901 O GLU A 67 4.317 12.500 -8.031 1.00 31.41 O ATOM 902 CB GLU A 67 5.798 9.966 -6.795 1.00 51.53 C ATOM 903 CG GLU A 67 5.114 10.469 -5.535 1.00 30.31 C ATOM 904 CD GLU A 67 5.686 11.785 -5.046 1.00 54.41 C ATOM 905 OE1 GLU A 67 5.222 12.845 -5.518 1.00 74.52 O ATOM 906 OE2 GLU A 67 6.596 11.757 -4.192 1.00 44.14 O ATOM 0 H GLU A 67 6.216 8.698 -8.866 1.00 71.31 H new ATOM 0 HA GLU A 67 3.933 9.960 -7.864 1.00 73.40 H new ATOM 0 HB2 GLU A 67 6.001 8.901 -6.687 1.00 51.53 H new ATOM 0 HB3 GLU A 67 6.761 10.465 -6.900 1.00 51.53 H new ATOM 0 HG2 GLU A 67 4.048 10.590 -5.728 1.00 30.31 H new ATOM 0 HG3 GLU A 67 5.212 9.720 -4.749 1.00 30.31 H new ATOM 913 N SER A 68 6.018 11.937 -9.392 1.00 61.12 N ATOM 914 CA SER A 68 6.219 13.295 -9.883 1.00 43.21 C ATOM 915 C SER A 68 4.994 13.783 -10.650 1.00 33.12 C ATOM 916 O SER A 68 4.759 14.986 -10.769 1.00 3.33 O ATOM 917 CB SER A 68 7.455 13.357 -10.782 1.00 45.32 C ATOM 918 OG SER A 68 7.489 14.566 -11.521 1.00 13.22 O ATOM 0 H SER A 68 6.653 11.246 -9.791 1.00 61.12 H new ATOM 0 HA SER A 68 6.371 13.947 -9.023 1.00 43.21 H new ATOM 0 HB2 SER A 68 8.355 13.274 -10.173 1.00 45.32 H new ATOM 0 HB3 SER A 68 7.453 12.509 -11.467 1.00 45.32 H new ATOM 0 HG SER A 68 8.289 14.581 -12.086 1.00 13.22 H new ATOM 924 N LEU A 69 4.215 12.840 -11.169 1.00 12.13 N ATOM 925 CA LEU A 69 3.012 13.172 -11.925 1.00 21.22 C ATOM 926 C LEU A 69 1.767 13.041 -11.053 1.00 5.42 C ATOM 927 O LEU A 69 0.692 13.518 -11.413 1.00 71.21 O ATOM 928 CB LEU A 69 2.889 12.263 -13.149 1.00 33.10 C ATOM 929 CG LEU A 69 4.193 11.940 -13.879 1.00 54.15 C ATOM 930 CD1 LEU A 69 3.919 11.083 -15.106 1.00 4.03 C ATOM 931 CD2 LEU A 69 4.915 13.220 -14.272 1.00 3.53 C ATOM 0 H LEU A 69 4.395 11.840 -11.080 1.00 12.13 H new ATOM 0 HA LEU A 69 3.094 14.208 -12.255 1.00 21.22 H new ATOM 0 HB2 LEU A 69 2.430 11.326 -12.836 1.00 33.10 H new ATOM 0 HB3 LEU A 69 2.206 12.732 -13.857 1.00 33.10 H new ATOM 0 HG LEU A 69 4.836 11.376 -13.203 1.00 54.15 H new ATOM 0 HD11 LEU A 69 4.858 10.863 -15.613 1.00 4.03 H new ATOM 0 HD12 LEU A 69 3.445 10.151 -14.800 1.00 4.03 H new ATOM 0 HD13 LEU A 69 3.257 11.621 -15.785 1.00 4.03 H new ATOM 0 HD21 LEU A 69 5.841 12.971 -14.790 1.00 3.53 H new ATOM 0 HD22 LEU A 69 4.278 13.810 -14.931 1.00 3.53 H new ATOM 0 HD23 LEU A 69 5.145 13.798 -13.377 1.00 3.53 H new ATOM 943 N GLY A 70 1.922 12.394 -9.902 1.00 24.12 N ATOM 944 CA GLY A 70 0.804 12.214 -8.995 1.00 54.52 C ATOM 945 C GLY A 70 0.264 10.798 -9.014 1.00 12.14 C ATOM 946 O GLY A 70 -0.886 10.569 -9.390 1.00 22.13 O ATOM 0 H GLY A 70 2.803 11.991 -9.582 1.00 24.12 H new ATOM 0 HA2 GLY A 70 1.118 12.466 -7.982 1.00 54.52 H new ATOM 0 HA3 GLY A 70 0.007 12.907 -9.264 1.00 54.52 H new ATOM 950 N VAL A 71 1.096 9.844 -8.608 1.00 12.01 N ATOM 951 CA VAL A 71 0.696 8.442 -8.580 1.00 11.22 C ATOM 952 C VAL A 71 0.112 8.064 -7.223 1.00 54.43 C ATOM 953 O VAL A 71 0.594 8.510 -6.183 1.00 20.14 O ATOM 954 CB VAL A 71 1.884 7.513 -8.891 1.00 44.23 C ATOM 955 CG1 VAL A 71 2.914 7.571 -7.774 1.00 25.34 C ATOM 956 CG2 VAL A 71 1.402 6.087 -9.110 1.00 42.23 C ATOM 0 H VAL A 71 2.051 10.016 -8.294 1.00 12.01 H new ATOM 0 HA VAL A 71 -0.066 8.315 -9.349 1.00 11.22 H new ATOM 0 HB VAL A 71 2.360 7.856 -9.809 1.00 44.23 H new ATOM 0 HG11 VAL A 71 3.746 6.908 -8.012 1.00 25.34 H new ATOM 0 HG12 VAL A 71 3.282 8.592 -7.671 1.00 25.34 H new ATOM 0 HG13 VAL A 71 2.454 7.255 -6.838 1.00 25.34 H new ATOM 0 HG21 VAL A 71 2.255 5.444 -9.329 1.00 42.23 H new ATOM 0 HG22 VAL A 71 0.900 5.730 -8.211 1.00 42.23 H new ATOM 0 HG23 VAL A 71 0.705 6.063 -9.948 1.00 42.23 H new ATOM 966 N ALA A 72 -0.930 7.240 -7.243 1.00 32.40 N ATOM 967 CA ALA A 72 -1.579 6.799 -6.014 1.00 53.43 C ATOM 968 C ALA A 72 -1.389 5.302 -5.799 1.00 24.21 C ATOM 969 O ALA A 72 -1.321 4.531 -6.756 1.00 72.14 O ATOM 970 CB ALA A 72 -3.061 7.146 -6.047 1.00 25.53 C ATOM 0 H ALA A 72 -1.343 6.864 -8.097 1.00 32.40 H new ATOM 0 HA ALA A 72 -1.113 7.321 -5.178 1.00 53.43 H new ATOM 0 HB1 ALA A 72 -3.534 6.811 -5.124 1.00 25.53 H new ATOM 0 HB2 ALA A 72 -3.180 8.225 -6.145 1.00 25.53 H new ATOM 0 HB3 ALA A 72 -3.532 6.650 -6.896 1.00 25.53 H new ATOM 976 N ASP A 73 -1.302 4.897 -4.537 1.00 22.13 N ATOM 977 CA ASP A 73 -1.119 3.491 -4.196 1.00 31.13 C ATOM 978 C ASP A 73 -2.431 2.724 -4.332 1.00 64.31 C ATOM 979 O ASP A 73 -3.435 3.077 -3.716 1.00 52.11 O ATOM 980 CB ASP A 73 -0.581 3.356 -2.771 1.00 24.55 C ATOM 981 CG ASP A 73 -1.368 4.183 -1.773 1.00 63.42 C ATOM 982 OD1 ASP A 73 -1.201 5.420 -1.766 1.00 10.53 O ATOM 983 OD2 ASP A 73 -2.151 3.592 -1.001 1.00 11.23 O ATOM 0 H ASP A 73 -1.355 5.522 -3.733 1.00 22.13 H new ATOM 0 HA ASP A 73 -0.396 3.065 -4.891 1.00 31.13 H new ATOM 0 HB2 ASP A 73 -0.610 2.308 -2.473 1.00 24.55 H new ATOM 0 HB3 ASP A 73 0.464 3.665 -2.750 1.00 24.55 H new ATOM 988 N GLY A 74 -2.413 1.672 -5.145 1.00 74.40 N ATOM 989 CA GLY A 74 -3.607 0.872 -5.349 1.00 31.13 C ATOM 990 C GLY A 74 -4.194 1.050 -6.735 1.00 35.42 C ATOM 991 O GLY A 74 -5.407 0.950 -6.920 1.00 35.42 O ATOM 0 H GLY A 74 -1.593 1.360 -5.666 1.00 74.40 H new ATOM 0 HA2 GLY A 74 -3.367 -0.180 -5.192 1.00 31.13 H new ATOM 0 HA3 GLY A 74 -4.354 1.144 -4.604 1.00 31.13 H new ATOM 995 N ASP A 75 -3.333 1.315 -7.711 1.00 13.53 N ATOM 996 CA ASP A 75 -3.774 1.508 -9.087 1.00 43.45 C ATOM 997 C ASP A 75 -3.766 0.188 -9.851 1.00 25.42 C ATOM 998 O ASP A 75 -3.088 -0.763 -9.461 1.00 21.44 O ATOM 999 CB ASP A 75 -2.877 2.526 -9.794 1.00 70.15 C ATOM 1000 CG ASP A 75 -3.117 3.943 -9.312 1.00 21.12 C ATOM 1001 OD1 ASP A 75 -4.284 4.282 -9.022 1.00 25.24 O ATOM 1002 OD2 ASP A 75 -2.138 4.713 -9.223 1.00 61.24 O ATOM 0 H ASP A 75 -2.326 1.401 -7.575 1.00 13.53 H new ATOM 0 HA ASP A 75 -4.795 1.888 -9.065 1.00 43.45 H new ATOM 0 HB2 ASP A 75 -1.832 2.261 -9.629 1.00 70.15 H new ATOM 0 HB3 ASP A 75 -3.053 2.476 -10.869 1.00 70.15 H new ATOM 1007 N LYS A 76 -4.524 0.135 -10.941 1.00 1.24 N ATOM 1008 CA LYS A 76 -4.605 -1.068 -11.760 1.00 21.11 C ATOM 1009 C LYS A 76 -3.821 -0.897 -13.057 1.00 42.00 C ATOM 1010 O LYS A 76 -4.001 0.085 -13.778 1.00 22.31 O ATOM 1011 CB LYS A 76 -6.066 -1.399 -12.074 1.00 43.43 C ATOM 1012 CG LYS A 76 -6.802 -0.279 -12.789 1.00 14.35 C ATOM 1013 CD LYS A 76 -8.269 -0.618 -12.994 1.00 31.40 C ATOM 1014 CE LYS A 76 -8.526 -1.155 -14.394 1.00 31.33 C ATOM 1015 NZ LYS A 76 -9.613 -2.173 -14.407 1.00 15.34 N ATOM 0 H LYS A 76 -5.092 0.913 -11.278 1.00 1.24 H new ATOM 0 HA LYS A 76 -4.166 -1.891 -11.197 1.00 21.11 H new ATOM 0 HB2 LYS A 76 -6.102 -2.298 -12.690 1.00 43.43 H new ATOM 0 HB3 LYS A 76 -6.586 -1.629 -11.144 1.00 43.43 H new ATOM 0 HG2 LYS A 76 -6.718 0.641 -12.210 1.00 14.35 H new ATOM 0 HG3 LYS A 76 -6.332 -0.092 -13.755 1.00 14.35 H new ATOM 0 HD2 LYS A 76 -8.579 -1.358 -12.256 1.00 31.40 H new ATOM 0 HD3 LYS A 76 -8.876 0.272 -12.827 1.00 31.40 H new ATOM 0 HE2 LYS A 76 -8.792 -0.331 -15.056 1.00 31.33 H new ATOM 0 HE3 LYS A 76 -7.610 -1.596 -14.787 1.00 31.33 H new ATOM 0 HZ1 LYS A 76 -9.758 -2.514 -15.379 1.00 15.34 H new ATOM 0 HZ2 LYS A 76 -9.348 -2.971 -13.796 1.00 15.34 H new ATOM 0 HZ3 LYS A 76 -10.493 -1.745 -14.056 1.00 15.34 H new ATOM 1029 N PHE A 77 -2.952 -1.859 -13.349 1.00 5.20 N ATOM 1030 CA PHE A 77 -2.140 -1.814 -14.560 1.00 74.40 C ATOM 1031 C PHE A 77 -2.561 -2.909 -15.536 1.00 65.15 C ATOM 1032 O PHE A 77 -3.032 -3.971 -15.131 1.00 31.35 O ATOM 1033 CB PHE A 77 -0.658 -1.967 -14.212 1.00 51.24 C ATOM 1034 CG PHE A 77 -0.091 -0.787 -13.476 1.00 44.14 C ATOM 1035 CD1 PHE A 77 -0.280 -0.649 -12.111 1.00 22.23 C ATOM 1036 CD2 PHE A 77 0.632 0.184 -14.150 1.00 44.20 C ATOM 1037 CE1 PHE A 77 0.241 0.436 -11.431 1.00 53.03 C ATOM 1038 CE2 PHE A 77 1.156 1.272 -13.476 1.00 33.51 C ATOM 1039 CZ PHE A 77 0.960 1.397 -12.114 1.00 64.15 C ATOM 0 H PHE A 77 -2.792 -2.679 -12.764 1.00 5.20 H new ATOM 0 HA PHE A 77 -2.295 -0.846 -15.037 1.00 74.40 H new ATOM 0 HB2 PHE A 77 -0.526 -2.862 -13.604 1.00 51.24 H new ATOM 0 HB3 PHE A 77 -0.091 -2.119 -15.130 1.00 51.24 H new ATOM 0 HD1 PHE A 77 -0.841 -1.398 -11.571 1.00 22.23 H new ATOM 0 HD2 PHE A 77 0.788 0.090 -15.215 1.00 44.20 H new ATOM 0 HE1 PHE A 77 0.086 0.532 -10.367 1.00 53.03 H new ATOM 0 HE2 PHE A 77 1.717 2.022 -14.013 1.00 33.51 H new ATOM 0 HZ PHE A 77 1.368 2.245 -11.584 1.00 64.15 H new ATOM 1049 N VAL A 78 -2.386 -2.642 -16.827 1.00 13.51 N ATOM 1050 CA VAL A 78 -2.746 -3.603 -17.862 1.00 54.33 C ATOM 1051 C VAL A 78 -1.504 -4.210 -18.504 1.00 71.12 C ATOM 1052 O VAL A 78 -0.654 -3.495 -19.036 1.00 23.01 O ATOM 1053 CB VAL A 78 -3.610 -2.950 -18.958 1.00 71.21 C ATOM 1054 CG1 VAL A 78 -3.998 -3.975 -20.013 1.00 41.23 C ATOM 1055 CG2 VAL A 78 -4.846 -2.306 -18.349 1.00 32.34 C ATOM 0 H VAL A 78 -1.997 -1.768 -17.180 1.00 13.51 H new ATOM 0 HA VAL A 78 -3.322 -4.391 -17.376 1.00 54.33 H new ATOM 0 HB VAL A 78 -3.023 -2.169 -19.442 1.00 71.21 H new ATOM 0 HG11 VAL A 78 -4.608 -3.496 -20.779 1.00 41.23 H new ATOM 0 HG12 VAL A 78 -3.098 -4.385 -20.470 1.00 41.23 H new ATOM 0 HG13 VAL A 78 -4.567 -4.779 -19.547 1.00 41.23 H new ATOM 0 HG21 VAL A 78 -5.444 -1.850 -19.137 1.00 32.34 H new ATOM 0 HG22 VAL A 78 -5.438 -3.065 -17.838 1.00 32.34 H new ATOM 0 HG23 VAL A 78 -4.543 -1.541 -17.635 1.00 32.34 H new ATOM 1065 N LEU A 79 -1.405 -5.534 -18.452 1.00 11.22 N ATOM 1066 CA LEU A 79 -0.266 -6.239 -19.029 1.00 72.30 C ATOM 1067 C LEU A 79 -0.657 -6.931 -20.331 1.00 31.42 C ATOM 1068 O LEU A 79 -1.626 -7.690 -20.375 1.00 52.11 O ATOM 1069 CB LEU A 79 0.279 -7.267 -18.036 1.00 1.14 C ATOM 1070 CG LEU A 79 1.193 -8.345 -18.619 1.00 4.21 C ATOM 1071 CD1 LEU A 79 2.348 -7.711 -19.380 1.00 33.23 C ATOM 1072 CD2 LEU A 79 1.715 -9.256 -17.517 1.00 14.41 C ATOM 0 H LEU A 79 -2.100 -6.141 -18.016 1.00 11.22 H new ATOM 0 HA LEU A 79 0.511 -5.506 -19.247 1.00 72.30 H new ATOM 0 HB2 LEU A 79 0.828 -6.736 -17.258 1.00 1.14 H new ATOM 0 HB3 LEU A 79 -0.565 -7.758 -17.552 1.00 1.14 H new ATOM 0 HG LEU A 79 0.612 -8.948 -19.317 1.00 4.21 H new ATOM 0 HD11 LEU A 79 2.988 -8.493 -19.788 1.00 33.23 H new ATOM 0 HD12 LEU A 79 1.956 -7.101 -20.194 1.00 33.23 H new ATOM 0 HD13 LEU A 79 2.928 -7.083 -18.704 1.00 33.23 H new ATOM 0 HD21 LEU A 79 2.364 -10.017 -17.951 1.00 14.41 H new ATOM 0 HD22 LEU A 79 2.280 -8.667 -16.795 1.00 14.41 H new ATOM 0 HD23 LEU A 79 0.876 -9.738 -17.015 1.00 14.41 H new ATOM 1084 N ILE A 80 0.104 -6.667 -21.387 1.00 51.53 N ATOM 1085 CA ILE A 80 -0.161 -7.267 -22.689 1.00 14.41 C ATOM 1086 C ILE A 80 1.007 -8.136 -23.142 1.00 51.40 C ATOM 1087 O ILE A 80 2.166 -7.843 -22.844 1.00 54.04 O ATOM 1088 CB ILE A 80 -0.433 -6.193 -23.759 1.00 51.20 C ATOM 1089 CG1 ILE A 80 0.845 -5.409 -24.062 1.00 3.50 C ATOM 1090 CG2 ILE A 80 -1.540 -5.255 -23.300 1.00 22.44 C ATOM 1091 CD1 ILE A 80 1.412 -5.684 -25.437 1.00 74.12 C ATOM 0 H ILE A 80 0.909 -6.041 -21.367 1.00 51.53 H new ATOM 0 HA ILE A 80 -1.050 -7.888 -22.575 1.00 14.41 H new ATOM 0 HB ILE A 80 -0.759 -6.688 -24.674 1.00 51.20 H new ATOM 0 HG12 ILE A 80 0.638 -4.343 -23.970 1.00 3.50 H new ATOM 0 HG13 ILE A 80 1.598 -5.653 -23.312 1.00 3.50 H new ATOM 0 HG21 ILE A 80 -1.720 -4.502 -24.067 1.00 22.44 H new ATOM 0 HG22 ILE A 80 -2.453 -5.825 -23.130 1.00 22.44 H new ATOM 0 HG23 ILE A 80 -1.241 -4.765 -22.374 1.00 22.44 H new ATOM 0 HD11 ILE A 80 2.317 -5.094 -25.582 1.00 74.12 H new ATOM 0 HD12 ILE A 80 1.651 -6.744 -25.527 1.00 74.12 H new ATOM 0 HD13 ILE A 80 0.677 -5.413 -26.195 1.00 74.12 H new ATOM 1103 N THR A 81 0.695 -9.206 -23.866 1.00 63.20 N ATOM 1104 CA THR A 81 1.719 -10.118 -24.362 1.00 35.15 C ATOM 1105 C THR A 81 1.574 -10.344 -25.862 1.00 50.42 C ATOM 1106 O THR A 81 0.481 -10.623 -26.355 1.00 31.11 O ATOM 1107 CB THR A 81 1.656 -11.478 -23.641 1.00 75.11 C ATOM 1108 OG1 THR A 81 2.723 -12.320 -24.091 1.00 33.55 O ATOM 1109 CG2 THR A 81 0.321 -12.163 -23.894 1.00 60.21 C ATOM 0 H THR A 81 -0.258 -9.463 -24.122 1.00 63.20 H new ATOM 0 HA THR A 81 2.683 -9.651 -24.159 1.00 35.15 H new ATOM 0 HB THR A 81 1.759 -11.302 -22.570 1.00 75.11 H new ATOM 0 HG1 THR A 81 2.677 -13.182 -23.627 1.00 33.55 H new ATOM 0 HG21 THR A 81 0.300 -13.121 -23.375 1.00 60.21 H new ATOM 0 HG22 THR A 81 -0.487 -11.532 -23.524 1.00 60.21 H new ATOM 0 HG23 THR A 81 0.193 -12.327 -24.964 1.00 60.21 H new ATOM 1117 N ARG A 82 2.683 -10.221 -26.584 1.00 22.02 N ATOM 1118 CA ARG A 82 2.679 -10.411 -28.029 1.00 62.23 C ATOM 1119 C ARG A 82 3.188 -11.802 -28.396 1.00 63.20 C ATOM 1120 O ARG A 82 4.138 -12.307 -27.796 1.00 11.54 O ATOM 1121 CB ARG A 82 3.542 -9.346 -28.708 1.00 11.53 C ATOM 1122 CG ARG A 82 2.737 -8.302 -29.465 1.00 41.01 C ATOM 1123 CD ARG A 82 3.642 -7.297 -30.161 1.00 23.43 C ATOM 1124 NE ARG A 82 3.022 -5.979 -30.261 1.00 32.11 N ATOM 1125 CZ ARG A 82 2.059 -5.684 -31.127 1.00 34.13 C ATOM 1126 NH1 ARG A 82 1.608 -6.609 -31.963 1.00 33.45 N ATOM 1127 NH2 ARG A 82 1.544 -4.461 -31.157 1.00 71.53 N ATOM 0 H ARG A 82 3.596 -9.991 -26.191 1.00 22.02 H new ATOM 0 HA ARG A 82 1.651 -10.314 -28.379 1.00 62.23 H new ATOM 0 HB2 ARG A 82 4.149 -8.847 -27.953 1.00 11.53 H new ATOM 0 HB3 ARG A 82 4.230 -9.834 -29.399 1.00 11.53 H new ATOM 0 HG2 ARG A 82 2.103 -8.794 -30.203 1.00 41.01 H new ATOM 0 HG3 ARG A 82 2.075 -7.780 -28.774 1.00 41.01 H new ATOM 0 HD2 ARG A 82 4.581 -7.215 -29.614 1.00 23.43 H new ATOM 0 HD3 ARG A 82 3.886 -7.660 -31.160 1.00 23.43 H new ATOM 0 HE ARG A 82 3.346 -5.245 -29.632 1.00 32.11 H new ATOM 0 HH11 ARG A 82 2.001 -7.550 -31.942 1.00 33.45 H new ATOM 0 HH12 ARG A 82 0.868 -6.379 -32.627 1.00 33.45 H new ATOM 0 HH21 ARG A 82 1.888 -3.747 -30.515 1.00 71.53 H new ATOM 0 HH22 ARG A 82 0.805 -4.235 -31.822 1.00 71.53 H new ATOM 1141 N THR A 83 2.550 -12.419 -29.386 1.00 12.41 N ATOM 1142 CA THR A 83 2.936 -13.751 -29.832 1.00 21.22 C ATOM 1143 C THR A 83 4.138 -13.691 -30.768 1.00 33.12 C ATOM 1144 O THR A 83 4.328 -12.711 -31.488 1.00 72.13 O ATOM 1145 CB THR A 83 1.774 -14.462 -30.551 1.00 41.45 C ATOM 1146 OG1 THR A 83 2.137 -15.814 -30.850 1.00 34.41 O ATOM 1147 CG2 THR A 83 1.408 -13.734 -31.836 1.00 71.23 C ATOM 0 H THR A 83 1.763 -12.016 -29.894 1.00 12.41 H new ATOM 0 HA THR A 83 3.202 -14.318 -28.940 1.00 21.22 H new ATOM 0 HB THR A 83 0.908 -14.457 -29.889 1.00 41.45 H new ATOM 0 HG1 THR A 83 1.392 -16.260 -31.305 1.00 34.41 H new ATOM 0 HG21 THR A 83 0.585 -14.254 -32.327 1.00 71.23 H new ATOM 0 HG22 THR A 83 1.105 -12.714 -31.602 1.00 71.23 H new ATOM 0 HG23 THR A 83 2.272 -13.712 -32.501 1.00 71.23 H new ATOM 1155 N VAL A 84 4.947 -14.746 -30.753 1.00 50.40 N ATOM 1156 CA VAL A 84 6.130 -14.813 -31.602 1.00 61.34 C ATOM 1157 C VAL A 84 6.030 -15.967 -32.593 1.00 72.53 C ATOM 1158 O VAL A 84 6.513 -15.875 -33.721 1.00 24.32 O ATOM 1159 CB VAL A 84 7.413 -14.979 -30.766 1.00 33.10 C ATOM 1160 CG1 VAL A 84 8.643 -14.937 -31.660 1.00 74.21 C ATOM 1161 CG2 VAL A 84 7.489 -13.907 -29.690 1.00 11.41 C ATOM 0 H VAL A 84 4.804 -15.565 -30.162 1.00 50.40 H new ATOM 0 HA VAL A 84 6.181 -13.871 -32.148 1.00 61.34 H new ATOM 0 HB VAL A 84 7.383 -15.952 -30.276 1.00 33.10 H new ATOM 0 HG11 VAL A 84 9.539 -15.056 -31.051 1.00 74.21 H new ATOM 0 HG12 VAL A 84 8.590 -15.745 -32.390 1.00 74.21 H new ATOM 0 HG13 VAL A 84 8.682 -13.980 -32.180 1.00 74.21 H new ATOM 0 HG21 VAL A 84 8.402 -14.039 -29.109 1.00 11.41 H new ATOM 0 HG22 VAL A 84 7.496 -12.922 -30.157 1.00 11.41 H new ATOM 0 HG23 VAL A 84 6.624 -13.990 -29.032 1.00 11.41 H new ATOM 1171 N GLY A 85 5.397 -17.056 -32.164 1.00 45.43 N ATOM 1172 CA GLY A 85 5.245 -18.213 -33.026 1.00 75.13 C ATOM 1173 C GLY A 85 6.563 -18.679 -33.611 1.00 23.15 C ATOM 1174 O GLY A 85 6.588 -19.511 -34.517 1.00 64.41 O ATOM 0 H GLY A 85 4.987 -17.157 -31.235 1.00 45.43 H new ATOM 0 HA2 GLY A 85 4.795 -19.028 -32.459 1.00 75.13 H new ATOM 0 HA3 GLY A 85 4.557 -17.970 -33.836 1.00 75.13 H new TER 1178 GLY A 85