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 179:sc= 0 (180deg=-0.00188) USER MOD Single : A 10 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.429) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.913 X(o=-0.91,f=-0.69) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 38 THR OG1 : rot 75:sc= 1.31 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -80:sc= 0.97 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -136:sc= -0.057 (180deg=-0.932) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -140:sc= -1.31 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 180:sc= 0.0586 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.849 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 0.857 0.417 -0.726 1.00 31.45 N ATOM 2 CA MET A 9 1.841 0.111 -1.757 1.00 63.50 C ATOM 3 C MET A 9 1.548 -1.239 -2.405 1.00 23.02 C ATOM 4 O MET A 9 2.407 -2.121 -2.443 1.00 12.23 O ATOM 5 CB MET A 9 3.251 0.109 -1.162 1.00 71.44 C ATOM 6 CG MET A 9 3.384 -0.753 0.083 1.00 61.35 C ATOM 7 SD MET A 9 5.103 -1.066 0.530 1.00 34.30 S ATOM 8 CE MET A 9 5.598 0.550 1.123 1.00 33.41 C ATOM 0 HA MET A 9 1.779 0.883 -2.524 1.00 63.50 H new ATOM 0 HB2 MET A 9 3.954 -0.245 -1.916 1.00 71.44 H new ATOM 0 HB3 MET A 9 3.535 1.133 -0.917 1.00 71.44 H new ATOM 0 HG2 MET A 9 2.880 -0.262 0.916 1.00 61.35 H new ATOM 0 HG3 MET A 9 2.877 -1.703 -0.082 1.00 61.35 H new ATOM 0 HE1 MET A 9 6.636 0.514 1.454 1.00 33.41 H new ATOM 0 HE2 MET A 9 5.499 1.279 0.319 1.00 33.41 H new ATOM 0 HE3 MET A 9 4.961 0.842 1.958 1.00 33.41 H new ATOM 18 N LYS A 10 0.331 -1.394 -2.913 1.00 74.24 N ATOM 19 CA LYS A 10 -0.076 -2.636 -3.561 1.00 12.32 C ATOM 20 C LYS A 10 -0.703 -2.359 -4.923 1.00 53.34 C ATOM 21 O LYS A 10 -1.536 -1.462 -5.063 1.00 63.10 O ATOM 22 CB LYS A 10 -1.068 -3.395 -2.676 1.00 65.22 C ATOM 23 CG LYS A 10 -0.407 -4.394 -1.742 1.00 34.32 C ATOM 24 CD LYS A 10 -0.633 -5.824 -2.205 1.00 5.11 C ATOM 25 CE LYS A 10 -1.642 -6.543 -1.323 1.00 42.00 C ATOM 26 NZ LYS A 10 -1.464 -8.021 -1.368 1.00 3.23 N ATOM 0 H LYS A 10 -0.392 -0.675 -2.889 1.00 74.24 H new ATOM 0 HA LYS A 10 0.814 -3.248 -3.708 1.00 12.32 H new ATOM 0 HB2 LYS A 10 -1.637 -2.678 -2.084 1.00 65.22 H new ATOM 0 HB3 LYS A 10 -1.781 -3.921 -3.311 1.00 65.22 H new ATOM 0 HG2 LYS A 10 0.663 -4.192 -1.690 1.00 34.32 H new ATOM 0 HG3 LYS A 10 -0.804 -4.270 -0.735 1.00 34.32 H new ATOM 0 HD2 LYS A 10 -0.986 -5.822 -3.236 1.00 5.11 H new ATOM 0 HD3 LYS A 10 0.313 -6.365 -2.193 1.00 5.11 H new ATOM 0 HE2 LYS A 10 -1.538 -6.196 -0.295 1.00 42.00 H new ATOM 0 HE3 LYS A 10 -2.652 -6.289 -1.645 1.00 42.00 H new ATOM 0 HZ1 LYS A 10 -2.370 -8.473 -1.606 1.00 3.23 H new ATOM 0 HZ2 LYS A 10 -0.756 -8.264 -2.090 1.00 3.23 H new ATOM 0 HZ3 LYS A 10 -1.141 -8.360 -0.439 1.00 3.23 H new ATOM 40 N ILE A 11 -0.300 -3.134 -5.924 1.00 22.30 N ATOM 41 CA ILE A 11 -0.825 -2.973 -7.274 1.00 63.22 C ATOM 42 C ILE A 11 -1.297 -4.307 -7.843 1.00 15.21 C ATOM 43 O ILE A 11 -0.778 -5.365 -7.488 1.00 64.14 O ATOM 44 CB ILE A 11 0.230 -2.370 -8.220 1.00 42.31 C ATOM 45 CG1 ILE A 11 0.875 -1.138 -7.581 1.00 53.10 C ATOM 46 CG2 ILE A 11 -0.401 -2.011 -9.557 1.00 42.41 C ATOM 47 CD1 ILE A 11 1.971 -0.524 -8.423 1.00 63.21 C ATOM 0 H ILE A 11 0.389 -3.880 -5.825 1.00 22.30 H new ATOM 0 HA ILE A 11 -1.672 -2.290 -7.204 1.00 63.22 H new ATOM 0 HB ILE A 11 1.007 -3.114 -8.395 1.00 42.31 H new ATOM 0 HG12 ILE A 11 0.105 -0.388 -7.399 1.00 53.10 H new ATOM 0 HG13 ILE A 11 1.286 -1.415 -6.610 1.00 53.10 H new ATOM 0 HG21 ILE A 11 0.357 -1.586 -10.215 1.00 42.41 H new ATOM 0 HG22 ILE A 11 -0.817 -2.908 -10.015 1.00 42.41 H new ATOM 0 HG23 ILE A 11 -1.195 -1.281 -9.400 1.00 42.41 H new ATOM 0 HD11 ILE A 11 2.382 0.344 -7.908 1.00 63.21 H new ATOM 0 HD12 ILE A 11 2.760 -1.258 -8.584 1.00 63.21 H new ATOM 0 HD13 ILE A 11 1.561 -0.215 -9.385 1.00 63.21 H new ATOM 59 N LYS A 12 -2.286 -4.249 -8.729 1.00 1.21 N ATOM 60 CA LYS A 12 -2.828 -5.451 -9.351 1.00 12.03 C ATOM 61 C LYS A 12 -2.603 -5.432 -10.859 1.00 72.13 C ATOM 62 O LYS A 12 -3.096 -4.546 -11.558 1.00 73.55 O ATOM 63 CB LYS A 12 -4.323 -5.576 -9.049 1.00 33.11 C ATOM 64 CG LYS A 12 -4.751 -6.982 -8.666 1.00 61.30 C ATOM 65 CD LYS A 12 -6.263 -7.132 -8.694 1.00 23.50 C ATOM 66 CE LYS A 12 -6.930 -6.243 -7.657 1.00 15.14 C ATOM 67 NZ LYS A 12 -8.404 -6.451 -7.614 1.00 14.22 N ATOM 0 H LYS A 12 -2.729 -3.382 -9.032 1.00 1.21 H new ATOM 0 HA LYS A 12 -2.306 -6.313 -8.935 1.00 12.03 H new ATOM 0 HB2 LYS A 12 -4.580 -4.894 -8.239 1.00 33.11 H new ATOM 0 HB3 LYS A 12 -4.890 -5.259 -9.924 1.00 33.11 H new ATOM 0 HG2 LYS A 12 -4.301 -7.700 -9.352 1.00 61.30 H new ATOM 0 HG3 LYS A 12 -4.380 -7.217 -7.669 1.00 61.30 H new ATOM 0 HD2 LYS A 12 -6.637 -6.879 -9.686 1.00 23.50 H new ATOM 0 HD3 LYS A 12 -6.530 -8.172 -8.509 1.00 23.50 H new ATOM 0 HE2 LYS A 12 -6.505 -6.449 -6.675 1.00 15.14 H new ATOM 0 HE3 LYS A 12 -6.717 -5.198 -7.883 1.00 15.14 H new ATOM 0 HZ1 LYS A 12 -8.822 -5.827 -6.895 1.00 14.22 H new ATOM 0 HZ2 LYS A 12 -8.813 -6.230 -8.544 1.00 14.22 H new ATOM 0 HZ3 LYS A 12 -8.608 -7.442 -7.373 1.00 14.22 H new ATOM 81 N ILE A 13 -1.858 -6.414 -11.354 1.00 63.40 N ATOM 82 CA ILE A 13 -1.571 -6.511 -12.780 1.00 4.02 C ATOM 83 C ILE A 13 -2.379 -7.629 -13.429 1.00 14.20 C ATOM 84 O ILE A 13 -2.236 -8.799 -13.076 1.00 64.51 O ATOM 85 CB ILE A 13 -0.073 -6.761 -13.037 1.00 3.53 C ATOM 86 CG1 ILE A 13 0.189 -6.929 -14.535 1.00 30.02 C ATOM 87 CG2 ILE A 13 0.399 -7.987 -12.270 1.00 1.22 C ATOM 88 CD1 ILE A 13 1.429 -6.209 -15.016 1.00 52.44 C ATOM 0 H ILE A 13 -1.442 -7.154 -10.789 1.00 63.40 H new ATOM 0 HA ILE A 13 -1.854 -5.556 -13.224 1.00 4.02 H new ATOM 0 HB ILE A 13 0.490 -5.897 -12.684 1.00 3.53 H new ATOM 0 HG12 ILE A 13 0.284 -7.991 -14.762 1.00 30.02 H new ATOM 0 HG13 ILE A 13 -0.674 -6.560 -15.090 1.00 30.02 H new ATOM 0 HG21 ILE A 13 1.459 -8.150 -12.462 1.00 1.22 H new ATOM 0 HG22 ILE A 13 0.243 -7.831 -11.203 1.00 1.22 H new ATOM 0 HG23 ILE A 13 -0.167 -8.860 -12.595 1.00 1.22 H new ATOM 0 HD11 ILE A 13 1.552 -6.372 -16.087 1.00 52.44 H new ATOM 0 HD12 ILE A 13 1.329 -5.141 -14.821 1.00 52.44 H new ATOM 0 HD13 ILE A 13 2.301 -6.594 -14.488 1.00 52.44 H new ATOM 100 N VAL A 14 -3.230 -7.260 -14.382 1.00 22.12 N ATOM 101 CA VAL A 14 -4.060 -8.232 -15.083 1.00 51.24 C ATOM 102 C VAL A 14 -3.561 -8.455 -16.506 1.00 60.35 C ATOM 103 O VAL A 14 -3.659 -7.583 -17.370 1.00 11.25 O ATOM 104 CB VAL A 14 -5.532 -7.781 -15.132 1.00 50.02 C ATOM 105 CG1 VAL A 14 -6.412 -8.889 -15.691 1.00 22.03 C ATOM 106 CG2 VAL A 14 -6.006 -7.359 -13.750 1.00 4.34 C ATOM 0 H VAL A 14 -3.362 -6.295 -14.686 1.00 22.12 H new ATOM 0 HA VAL A 14 -3.992 -9.167 -14.526 1.00 51.24 H new ATOM 0 HB VAL A 14 -5.608 -6.920 -15.796 1.00 50.02 H new ATOM 0 HG11 VAL A 14 -7.448 -8.552 -15.718 1.00 22.03 H new ATOM 0 HG12 VAL A 14 -6.085 -9.139 -16.700 1.00 22.03 H new ATOM 0 HG13 VAL A 14 -6.334 -9.771 -15.056 1.00 22.03 H new ATOM 0 HG21 VAL A 14 -7.048 -7.043 -13.803 1.00 4.34 H new ATOM 0 HG22 VAL A 14 -5.916 -8.200 -13.062 1.00 4.34 H new ATOM 0 HG23 VAL A 14 -5.394 -6.531 -13.393 1.00 4.34 H new ATOM 116 N PRO A 15 -3.012 -9.653 -16.760 1.00 13.22 N ATOM 117 CA PRO A 15 -2.488 -10.020 -18.078 1.00 65.13 C ATOM 118 C PRO A 15 -3.593 -10.198 -19.113 1.00 71.32 C ATOM 119 O PRO A 15 -4.641 -10.775 -18.823 1.00 1.31 O ATOM 120 CB PRO A 15 -1.778 -11.351 -17.819 1.00 62.43 C ATOM 121 CG PRO A 15 -2.461 -11.918 -16.623 1.00 22.31 C ATOM 122 CD PRO A 15 -2.863 -10.741 -15.779 1.00 3.43 C ATOM 0 HA PRO A 15 -1.838 -9.247 -18.488 1.00 65.13 H new ATOM 0 HB2 PRO A 15 -1.863 -12.018 -18.677 1.00 62.43 H new ATOM 0 HB3 PRO A 15 -0.714 -11.203 -17.634 1.00 62.43 H new ATOM 0 HG2 PRO A 15 -3.332 -12.506 -16.913 1.00 22.31 H new ATOM 0 HG3 PRO A 15 -1.796 -12.584 -16.073 1.00 22.31 H new ATOM 0 HD2 PRO A 15 -3.794 -10.930 -15.244 1.00 3.43 H new ATOM 0 HD3 PRO A 15 -2.106 -10.506 -15.030 1.00 3.43 H new ATOM 130 N ALA A 16 -3.352 -9.700 -20.322 1.00 31.44 N ATOM 131 CA ALA A 16 -4.327 -9.807 -21.400 1.00 63.22 C ATOM 132 C ALA A 16 -4.093 -11.066 -22.229 1.00 2.22 C ATOM 133 O ALA A 16 -3.949 -11.000 -23.450 1.00 13.23 O ATOM 134 CB ALA A 16 -4.271 -8.572 -22.286 1.00 42.34 C ATOM 0 H ALA A 16 -2.490 -9.219 -20.579 1.00 31.44 H new ATOM 0 HA ALA A 16 -5.319 -9.876 -20.954 1.00 63.22 H new ATOM 0 HB1 ALA A 16 -5.004 -8.665 -23.087 1.00 42.34 H new ATOM 0 HB2 ALA A 16 -4.494 -7.687 -21.691 1.00 42.34 H new ATOM 0 HB3 ALA A 16 -3.274 -8.478 -22.716 1.00 42.34 H new ATOM 140 N VAL A 17 -4.055 -12.212 -21.557 1.00 64.41 N ATOM 141 CA VAL A 17 -3.838 -13.487 -22.232 1.00 14.33 C ATOM 142 C VAL A 17 -5.037 -14.412 -22.055 1.00 23.41 C ATOM 143 O VAL A 17 -6.072 -14.010 -21.527 1.00 34.43 O ATOM 144 CB VAL A 17 -2.575 -14.193 -21.705 1.00 34.53 C ATOM 145 CG1 VAL A 17 -1.366 -13.278 -21.816 1.00 25.34 C ATOM 146 CG2 VAL A 17 -2.780 -14.648 -20.268 1.00 33.15 C ATOM 0 H VAL A 17 -4.172 -12.284 -20.546 1.00 64.41 H new ATOM 0 HA VAL A 17 -3.706 -13.267 -23.291 1.00 14.33 H new ATOM 0 HB VAL A 17 -2.390 -15.075 -22.318 1.00 34.53 H new ATOM 0 HG11 VAL A 17 -0.483 -13.794 -21.439 1.00 25.34 H new ATOM 0 HG12 VAL A 17 -1.209 -13.007 -22.860 1.00 25.34 H new ATOM 0 HG13 VAL A 17 -1.537 -12.376 -21.229 1.00 25.34 H new ATOM 0 HG21 VAL A 17 -1.878 -15.145 -19.911 1.00 33.15 H new ATOM 0 HG22 VAL A 17 -2.991 -13.783 -19.639 1.00 33.15 H new ATOM 0 HG23 VAL A 17 -3.619 -15.343 -20.222 1.00 33.15 H new ATOM 156 N GLY A 18 -4.888 -15.656 -22.501 1.00 22.33 N ATOM 157 CA GLY A 18 -5.966 -16.621 -22.382 1.00 44.24 C ATOM 158 C GLY A 18 -6.526 -16.694 -20.976 1.00 13.00 C ATOM 159 O GLY A 18 -7.736 -16.598 -20.777 1.00 15.12 O ATOM 0 H GLY A 18 -4.040 -16.013 -22.942 1.00 22.33 H new ATOM 0 HA2 GLY A 18 -6.765 -16.356 -23.075 1.00 44.24 H new ATOM 0 HA3 GLY A 18 -5.602 -17.605 -22.677 1.00 44.24 H new ATOM 163 N GLY A 19 -5.644 -16.866 -19.997 1.00 25.44 N ATOM 164 CA GLY A 19 -6.077 -16.952 -18.614 1.00 45.51 C ATOM 165 C GLY A 19 -5.808 -15.675 -17.843 1.00 12.52 C ATOM 166 O GLY A 19 -5.167 -15.698 -16.793 1.00 63.13 O ATOM 0 H GLY A 19 -4.637 -16.947 -20.136 1.00 25.44 H new ATOM 0 HA2 GLY A 19 -7.144 -17.174 -18.583 1.00 45.51 H new ATOM 0 HA3 GLY A 19 -5.565 -17.782 -18.127 1.00 45.51 H new ATOM 170 N GLY A 20 -6.299 -14.555 -18.365 1.00 54.23 N ATOM 171 CA GLY A 20 -6.097 -13.278 -17.707 1.00 1.35 C ATOM 172 C GLY A 20 -6.483 -13.314 -16.241 1.00 44.30 C ATOM 173 O GLY A 20 -7.666 -13.290 -15.903 1.00 0.11 O ATOM 0 H GLY A 20 -6.833 -14.510 -19.233 1.00 54.23 H new ATOM 0 HA2 GLY A 20 -5.050 -12.988 -17.797 1.00 1.35 H new ATOM 0 HA3 GLY A 20 -6.684 -12.514 -18.216 1.00 1.35 H new ATOM 177 N SER A 21 -5.482 -13.373 -15.368 1.00 43.05 N ATOM 178 CA SER A 21 -5.722 -13.418 -13.931 1.00 33.10 C ATOM 179 C SER A 21 -4.926 -12.333 -13.212 1.00 63.45 C ATOM 180 O SER A 21 -3.713 -12.204 -13.380 1.00 22.31 O ATOM 181 CB SER A 21 -5.351 -14.794 -13.373 1.00 41.53 C ATOM 182 OG SER A 21 -6.425 -15.707 -13.512 1.00 71.35 O ATOM 0 H SER A 21 -4.497 -13.391 -15.632 1.00 43.05 H new ATOM 0 HA SER A 21 -6.783 -13.239 -13.760 1.00 33.10 H new ATOM 0 HB2 SER A 21 -4.474 -15.177 -13.895 1.00 41.53 H new ATOM 0 HB3 SER A 21 -5.081 -14.703 -12.321 1.00 41.53 H new ATOM 0 HG SER A 21 -6.162 -16.579 -13.150 1.00 71.35 H new ATOM 188 N PRO A 22 -5.623 -11.534 -12.392 1.00 51.41 N ATOM 189 CA PRO A 22 -5.002 -10.446 -11.631 1.00 13.34 C ATOM 190 C PRO A 22 -4.096 -10.961 -10.518 1.00 11.14 C ATOM 191 O PRO A 22 -4.490 -11.824 -9.731 1.00 51.55 O ATOM 192 CB PRO A 22 -6.200 -9.697 -11.041 1.00 51.43 C ATOM 193 CG PRO A 22 -7.286 -10.714 -10.971 1.00 70.13 C ATOM 194 CD PRO A 22 -7.071 -11.630 -12.144 1.00 75.14 C ATOM 0 HA PRO A 22 -4.360 -9.826 -12.257 1.00 13.34 H new ATOM 0 HB2 PRO A 22 -5.969 -9.296 -10.054 1.00 51.43 H new ATOM 0 HB3 PRO A 22 -6.488 -8.853 -11.669 1.00 51.43 H new ATOM 0 HG2 PRO A 22 -7.244 -11.266 -10.032 1.00 70.13 H new ATOM 0 HG3 PRO A 22 -8.267 -10.241 -11.019 1.00 70.13 H new ATOM 0 HD2 PRO A 22 -7.373 -12.652 -11.916 1.00 75.14 H new ATOM 0 HD3 PRO A 22 -7.649 -11.313 -13.012 1.00 75.14 H new ATOM 202 N LEU A 23 -2.881 -10.427 -10.456 1.00 33.15 N ATOM 203 CA LEU A 23 -1.918 -10.833 -9.437 1.00 54.24 C ATOM 204 C LEU A 23 -1.497 -9.643 -8.582 1.00 10.45 C ATOM 205 O LEU A 23 -1.234 -8.557 -9.098 1.00 71.21 O ATOM 206 CB LEU A 23 -0.689 -11.465 -10.093 1.00 13.12 C ATOM 207 CG LEU A 23 0.123 -12.419 -9.216 1.00 73.02 C ATOM 208 CD1 LEU A 23 -0.474 -13.817 -9.255 1.00 22.44 C ATOM 209 CD2 LEU A 23 1.577 -12.445 -9.662 1.00 65.30 C ATOM 0 H LEU A 23 -2.539 -9.712 -11.099 1.00 33.15 H new ATOM 0 HA LEU A 23 -2.397 -11.569 -8.791 1.00 54.24 H new ATOM 0 HB2 LEU A 23 -1.014 -12.007 -10.981 1.00 13.12 H new ATOM 0 HB3 LEU A 23 -0.031 -10.665 -10.431 1.00 13.12 H new ATOM 0 HG LEU A 23 0.086 -12.059 -8.188 1.00 73.02 H new ATOM 0 HD11 LEU A 23 0.117 -14.483 -8.625 1.00 22.44 H new ATOM 0 HD12 LEU A 23 -1.500 -13.785 -8.887 1.00 22.44 H new ATOM 0 HD13 LEU A 23 -0.467 -14.187 -10.280 1.00 22.44 H new ATOM 0 HD21 LEU A 23 2.140 -13.129 -9.027 1.00 65.30 H new ATOM 0 HD22 LEU A 23 1.634 -12.781 -10.697 1.00 65.30 H new ATOM 0 HD23 LEU A 23 2.000 -11.444 -9.582 1.00 65.30 H new ATOM 221 N GLU A 24 -1.433 -9.856 -7.271 1.00 12.31 N ATOM 222 CA GLU A 24 -1.042 -8.800 -6.344 1.00 70.02 C ATOM 223 C GLU A 24 0.468 -8.803 -6.122 1.00 33.10 C ATOM 224 O GLU A 24 1.059 -9.838 -5.809 1.00 53.42 O ATOM 225 CB GLU A 24 -1.766 -8.971 -5.007 1.00 3.21 C ATOM 226 CG GLU A 24 -3.116 -8.277 -4.953 1.00 13.23 C ATOM 227 CD GLU A 24 -4.237 -9.212 -4.541 1.00 23.00 C ATOM 228 OE1 GLU A 24 -4.652 -10.044 -5.374 1.00 55.33 O ATOM 229 OE2 GLU A 24 -4.697 -9.112 -3.384 1.00 53.24 O ATOM 0 H GLU A 24 -1.647 -10.749 -6.827 1.00 12.31 H new ATOM 0 HA GLU A 24 -1.325 -7.843 -6.782 1.00 70.02 H new ATOM 0 HB2 GLU A 24 -1.906 -10.034 -4.812 1.00 3.21 H new ATOM 0 HB3 GLU A 24 -1.134 -8.581 -4.209 1.00 3.21 H new ATOM 0 HG2 GLU A 24 -3.065 -7.445 -4.250 1.00 13.23 H new ATOM 0 HG3 GLU A 24 -3.342 -7.854 -5.932 1.00 13.23 H new ATOM 236 N LEU A 25 1.086 -7.639 -6.286 1.00 41.13 N ATOM 237 CA LEU A 25 2.527 -7.506 -6.104 1.00 44.24 C ATOM 238 C LEU A 25 2.873 -6.170 -5.455 1.00 2.23 C ATOM 239 O LEU A 25 2.085 -5.226 -5.498 1.00 41.21 O ATOM 240 CB LEU A 25 3.245 -7.633 -7.449 1.00 52.55 C ATOM 241 CG LEU A 25 4.055 -8.912 -7.660 1.00 71.22 C ATOM 242 CD1 LEU A 25 4.136 -9.255 -9.140 1.00 31.25 C ATOM 243 CD2 LEU A 25 5.449 -8.765 -7.068 1.00 12.42 C ATOM 0 H LEU A 25 0.612 -6.774 -6.545 1.00 41.13 H new ATOM 0 HA LEU A 25 2.860 -8.307 -5.444 1.00 44.24 H new ATOM 0 HB2 LEU A 25 2.501 -7.563 -8.243 1.00 52.55 H new ATOM 0 HB3 LEU A 25 3.914 -6.780 -7.563 1.00 52.55 H new ATOM 0 HG LEU A 25 3.548 -9.729 -7.146 1.00 71.22 H new ATOM 0 HD11 LEU A 25 4.716 -10.168 -9.271 1.00 31.25 H new ATOM 0 HD12 LEU A 25 3.131 -9.404 -9.534 1.00 31.25 H new ATOM 0 HD13 LEU A 25 4.619 -8.438 -9.677 1.00 31.25 H new ATOM 0 HD21 LEU A 25 6.011 -9.685 -7.228 1.00 12.42 H new ATOM 0 HD22 LEU A 25 5.965 -7.936 -7.553 1.00 12.42 H new ATOM 0 HD23 LEU A 25 5.371 -8.568 -5.999 1.00 12.42 H new ATOM 255 N GLU A 26 4.057 -6.098 -4.855 1.00 24.11 N ATOM 256 CA GLU A 26 4.507 -4.877 -4.198 1.00 4.33 C ATOM 257 C GLU A 26 5.578 -4.175 -5.028 1.00 4.12 C ATOM 258 O GLU A 26 6.711 -4.647 -5.128 1.00 73.51 O ATOM 259 CB GLU A 26 5.053 -5.193 -2.803 1.00 52.44 C ATOM 260 CG GLU A 26 5.348 -3.956 -1.971 1.00 24.30 C ATOM 261 CD GLU A 26 6.123 -4.276 -0.707 1.00 41.51 C ATOM 262 OE1 GLU A 26 5.531 -4.874 0.216 1.00 50.43 O ATOM 263 OE2 GLU A 26 7.320 -3.927 -0.640 1.00 64.55 O ATOM 0 H GLU A 26 4.721 -6.871 -4.810 1.00 24.11 H new ATOM 0 HA GLU A 26 3.650 -4.210 -4.103 1.00 4.33 H new ATOM 0 HB2 GLU A 26 4.332 -5.814 -2.272 1.00 52.44 H new ATOM 0 HB3 GLU A 26 5.966 -5.779 -2.904 1.00 52.44 H new ATOM 0 HG2 GLU A 26 5.916 -3.246 -2.571 1.00 24.30 H new ATOM 0 HG3 GLU A 26 4.410 -3.469 -1.704 1.00 24.30 H new ATOM 270 N VAL A 27 5.212 -3.044 -5.622 1.00 55.12 N ATOM 271 CA VAL A 27 6.140 -2.276 -6.443 1.00 54.14 C ATOM 272 C VAL A 27 5.963 -0.778 -6.218 1.00 24.51 C ATOM 273 O VAL A 27 4.987 -0.343 -5.609 1.00 10.13 O ATOM 274 CB VAL A 27 5.951 -2.584 -7.941 1.00 24.03 C ATOM 275 CG1 VAL A 27 6.524 -3.952 -8.281 1.00 12.33 C ATOM 276 CG2 VAL A 27 4.480 -2.503 -8.320 1.00 65.21 C ATOM 0 H VAL A 27 4.279 -2.639 -5.550 1.00 55.12 H new ATOM 0 HA VAL A 27 7.146 -2.570 -6.143 1.00 54.14 H new ATOM 0 HB VAL A 27 6.493 -1.836 -8.520 1.00 24.03 H new ATOM 0 HG11 VAL A 27 6.382 -4.152 -9.343 1.00 12.33 H new ATOM 0 HG12 VAL A 27 7.589 -3.969 -8.048 1.00 12.33 H new ATOM 0 HG13 VAL A 27 6.013 -4.716 -7.696 1.00 12.33 H new ATOM 0 HG21 VAL A 27 4.365 -2.723 -9.381 1.00 65.21 H new ATOM 0 HG22 VAL A 27 3.913 -3.228 -7.735 1.00 65.21 H new ATOM 0 HG23 VAL A 27 4.106 -1.500 -8.115 1.00 65.21 H new ATOM 286 N ALA A 28 6.915 0.005 -6.714 1.00 4.11 N ATOM 287 CA ALA A 28 6.864 1.455 -6.569 1.00 23.41 C ATOM 288 C ALA A 28 7.136 2.149 -7.899 1.00 12.31 C ATOM 289 O ALA A 28 8.227 2.060 -8.462 1.00 70.21 O ATOM 290 CB ALA A 28 7.863 1.915 -5.517 1.00 55.31 C ATOM 0 H ALA A 28 7.731 -0.340 -7.220 1.00 4.11 H new ATOM 0 HA ALA A 28 5.860 1.729 -6.245 1.00 23.41 H new ATOM 0 HB1 ALA A 28 7.815 2.999 -5.419 1.00 55.31 H new ATOM 0 HB2 ALA A 28 7.622 1.453 -4.560 1.00 55.31 H new ATOM 0 HB3 ALA A 28 8.869 1.623 -5.818 1.00 55.31 H new ATOM 296 N PRO A 29 6.121 2.858 -8.415 1.00 40.32 N ATOM 297 CA PRO A 29 6.227 3.582 -9.686 1.00 34.13 C ATOM 298 C PRO A 29 7.151 4.791 -9.589 1.00 61.21 C ATOM 299 O PRO A 29 7.539 5.369 -10.603 1.00 5.20 O ATOM 300 CB PRO A 29 4.789 4.029 -9.960 1.00 14.02 C ATOM 301 CG PRO A 29 4.149 4.094 -8.616 1.00 4.43 C ATOM 302 CD PRO A 29 4.792 3.009 -7.798 1.00 65.51 C ATOM 0 HA PRO A 29 6.653 2.961 -10.474 1.00 34.13 H new ATOM 0 HB2 PRO A 29 4.764 4.999 -10.458 1.00 14.02 H new ATOM 0 HB3 PRO A 29 4.272 3.323 -10.611 1.00 14.02 H new ATOM 0 HG2 PRO A 29 4.302 5.071 -8.158 1.00 4.43 H new ATOM 0 HG3 PRO A 29 3.072 3.942 -8.689 1.00 4.43 H new ATOM 0 HD2 PRO A 29 4.866 3.289 -6.747 1.00 65.51 H new ATOM 0 HD3 PRO A 29 4.221 2.081 -7.841 1.00 65.51 H new ATOM 310 N ASN A 30 7.500 5.167 -8.363 1.00 30.30 N ATOM 311 CA ASN A 30 8.379 6.308 -8.135 1.00 23.55 C ATOM 312 C ASN A 30 9.844 5.887 -8.202 1.00 44.21 C ATOM 313 O ASN A 30 10.741 6.673 -7.897 1.00 51.24 O ATOM 314 CB ASN A 30 8.082 6.943 -6.775 1.00 53.20 C ATOM 315 CG ASN A 30 8.463 6.040 -5.618 1.00 72.44 C ATOM 316 OD1 ASN A 30 9.632 5.956 -5.241 1.00 34.52 O ATOM 317 ND2 ASN A 30 7.475 5.358 -5.050 1.00 60.10 N ATOM 0 H ASN A 30 7.188 4.698 -7.513 1.00 30.30 H new ATOM 0 HA ASN A 30 8.193 7.041 -8.920 1.00 23.55 H new ATOM 0 HB2 ASN A 30 8.624 7.885 -6.691 1.00 53.20 H new ATOM 0 HB3 ASN A 30 7.020 7.180 -6.712 1.00 53.20 H new ATOM 0 HD21 ASN A 30 7.670 4.733 -4.268 1.00 60.10 H new ATOM 0 HD22 ASN A 30 6.521 5.459 -5.396 1.00 60.10 H new ATOM 324 N ALA A 31 10.079 4.642 -8.604 1.00 2.31 N ATOM 325 CA ALA A 31 11.435 4.118 -8.714 1.00 52.12 C ATOM 326 C ALA A 31 11.874 4.034 -10.172 1.00 72.51 C ATOM 327 O ALA A 31 12.633 4.875 -10.653 1.00 44.20 O ATOM 328 CB ALA A 31 11.527 2.751 -8.053 1.00 63.10 C ATOM 0 H ALA A 31 9.348 3.978 -8.859 1.00 2.31 H new ATOM 0 HA ALA A 31 12.107 4.804 -8.199 1.00 52.12 H new ATOM 0 HB1 ALA A 31 12.545 2.371 -8.142 1.00 63.10 H new ATOM 0 HB2 ALA A 31 11.264 2.838 -6.999 1.00 63.10 H new ATOM 0 HB3 ALA A 31 10.839 2.063 -8.543 1.00 63.10 H new ATOM 334 N THR A 32 11.392 3.011 -10.872 1.00 54.44 N ATOM 335 CA THR A 32 11.736 2.816 -12.275 1.00 33.20 C ATOM 336 C THR A 32 10.681 1.978 -12.988 1.00 71.32 C ATOM 337 O THR A 32 10.128 1.039 -12.415 1.00 71.24 O ATOM 338 CB THR A 32 13.107 2.132 -12.427 1.00 24.43 C ATOM 339 OG1 THR A 32 14.101 2.857 -11.694 1.00 13.42 O ATOM 340 CG2 THR A 32 13.511 2.047 -13.891 1.00 41.50 C ATOM 0 H THR A 32 10.762 2.305 -10.490 1.00 54.44 H new ATOM 0 HA THR A 32 11.779 3.805 -12.730 1.00 33.20 H new ATOM 0 HB THR A 32 13.029 1.120 -12.029 1.00 24.43 H new ATOM 0 HG1 THR A 32 14.970 2.414 -11.795 1.00 13.42 H new ATOM 0 HG21 THR A 32 14.483 1.560 -13.973 1.00 41.50 H new ATOM 0 HG22 THR A 32 12.768 1.469 -14.440 1.00 41.50 H new ATOM 0 HG23 THR A 32 13.572 3.051 -14.310 1.00 41.50 H new ATOM 348 N VAL A 33 10.406 2.322 -14.242 1.00 44.43 N ATOM 349 CA VAL A 33 9.419 1.600 -15.035 1.00 15.21 C ATOM 350 C VAL A 33 9.906 0.196 -15.374 1.00 0.01 C ATOM 351 O VAL A 33 9.173 -0.780 -15.223 1.00 31.31 O ATOM 352 CB VAL A 33 9.092 2.348 -16.341 1.00 71.34 C ATOM 353 CG1 VAL A 33 7.916 1.694 -17.051 1.00 63.34 C ATOM 354 CG2 VAL A 33 8.805 3.815 -16.058 1.00 63.51 C ATOM 0 H VAL A 33 10.854 3.097 -14.731 1.00 44.43 H new ATOM 0 HA VAL A 33 8.516 1.531 -14.429 1.00 15.21 H new ATOM 0 HB VAL A 33 9.960 2.292 -16.998 1.00 71.34 H new ATOM 0 HG11 VAL A 33 7.700 2.236 -17.972 1.00 63.34 H new ATOM 0 HG12 VAL A 33 8.164 0.660 -17.289 1.00 63.34 H new ATOM 0 HG13 VAL A 33 7.041 1.717 -16.402 1.00 63.34 H new ATOM 0 HG21 VAL A 33 8.576 4.328 -16.992 1.00 63.51 H new ATOM 0 HG22 VAL A 33 7.954 3.895 -15.382 1.00 63.51 H new ATOM 0 HG23 VAL A 33 9.679 4.274 -15.597 1.00 63.51 H new ATOM 364 N GLY A 34 11.150 0.102 -15.833 1.00 44.11 N ATOM 365 CA GLY A 34 11.715 -1.187 -16.186 1.00 64.22 C ATOM 366 C GLY A 34 11.803 -2.126 -15.000 1.00 24.24 C ATOM 367 O GLY A 34 11.664 -3.340 -15.148 1.00 42.23 O ATOM 0 H GLY A 34 11.777 0.896 -15.967 1.00 44.11 H new ATOM 0 HA2 GLY A 34 11.106 -1.646 -16.965 1.00 64.22 H new ATOM 0 HA3 GLY A 34 12.711 -1.041 -16.605 1.00 64.22 H new ATOM 371 N ALA A 35 12.037 -1.564 -13.818 1.00 71.11 N ATOM 372 CA ALA A 35 12.143 -2.359 -12.601 1.00 61.53 C ATOM 373 C ALA A 35 10.816 -3.032 -12.267 1.00 53.51 C ATOM 374 O ALA A 35 10.773 -4.220 -11.949 1.00 73.14 O ATOM 375 CB ALA A 35 12.604 -1.490 -11.441 1.00 15.22 C ATOM 0 H ALA A 35 12.157 -0.561 -13.678 1.00 71.11 H new ATOM 0 HA ALA A 35 12.883 -3.141 -12.771 1.00 61.53 H new ATOM 0 HB1 ALA A 35 12.679 -2.097 -10.539 1.00 15.22 H new ATOM 0 HB2 ALA A 35 13.579 -1.062 -11.672 1.00 15.22 H new ATOM 0 HB3 ALA A 35 11.885 -0.687 -11.280 1.00 15.22 H new ATOM 381 N VAL A 36 9.734 -2.263 -12.340 1.00 54.02 N ATOM 382 CA VAL A 36 8.404 -2.784 -12.046 1.00 22.42 C ATOM 383 C VAL A 36 7.967 -3.799 -13.096 1.00 54.34 C ATOM 384 O VAL A 36 7.455 -4.869 -12.766 1.00 2.32 O ATOM 385 CB VAL A 36 7.361 -1.654 -11.974 1.00 10.40 C ATOM 386 CG1 VAL A 36 5.982 -2.218 -11.669 1.00 53.23 C ATOM 387 CG2 VAL A 36 7.766 -0.621 -10.933 1.00 33.25 C ATOM 0 H VAL A 36 9.752 -1.277 -12.600 1.00 54.02 H new ATOM 0 HA VAL A 36 8.464 -3.274 -11.074 1.00 22.42 H new ATOM 0 HB VAL A 36 7.318 -1.161 -12.945 1.00 10.40 H new ATOM 0 HG11 VAL A 36 5.258 -1.404 -11.622 1.00 53.23 H new ATOM 0 HG12 VAL A 36 5.693 -2.916 -12.454 1.00 53.23 H new ATOM 0 HG13 VAL A 36 6.005 -2.738 -10.712 1.00 53.23 H new ATOM 0 HG21 VAL A 36 7.018 0.171 -10.895 1.00 33.25 H new ATOM 0 HG22 VAL A 36 7.839 -1.098 -9.956 1.00 33.25 H new ATOM 0 HG23 VAL A 36 8.732 -0.194 -11.201 1.00 33.25 H new ATOM 397 N ARG A 37 8.171 -3.455 -14.364 1.00 25.42 N ATOM 398 CA ARG A 37 7.797 -4.336 -15.464 1.00 4.01 C ATOM 399 C ARG A 37 8.544 -5.664 -15.376 1.00 4.43 C ATOM 400 O ARG A 37 7.975 -6.727 -15.625 1.00 45.05 O ATOM 401 CB ARG A 37 8.089 -3.663 -16.806 1.00 42.42 C ATOM 402 CG ARG A 37 6.905 -2.898 -17.374 1.00 74.34 C ATOM 403 CD ARG A 37 7.243 -1.433 -17.598 1.00 14.43 C ATOM 404 NE ARG A 37 8.466 -1.266 -18.378 1.00 11.42 N ATOM 405 CZ ARG A 37 8.538 -1.482 -19.686 1.00 63.34 C ATOM 406 NH1 ARG A 37 7.463 -1.872 -20.358 1.00 25.13 N ATOM 407 NH2 ARG A 37 9.688 -1.309 -20.326 1.00 53.32 N ATOM 0 H ARG A 37 8.593 -2.573 -14.655 1.00 25.42 H new ATOM 0 HA ARG A 37 6.728 -4.535 -15.389 1.00 4.01 H new ATOM 0 HB2 ARG A 37 8.929 -2.978 -16.685 1.00 42.42 H new ATOM 0 HB3 ARG A 37 8.398 -4.422 -17.524 1.00 42.42 H new ATOM 0 HG2 ARG A 37 6.597 -3.350 -18.317 1.00 74.34 H new ATOM 0 HG3 ARG A 37 6.059 -2.977 -16.692 1.00 74.34 H new ATOM 0 HD2 ARG A 37 6.415 -0.945 -18.113 1.00 14.43 H new ATOM 0 HD3 ARG A 37 7.357 -0.936 -16.635 1.00 14.43 H new ATOM 0 HE ARG A 37 9.311 -0.967 -17.891 1.00 11.42 H new ATOM 0 HH11 ARG A 37 6.578 -2.007 -19.870 1.00 25.13 H new ATOM 0 HH12 ARG A 37 7.522 -2.037 -21.363 1.00 25.13 H new ATOM 0 HH21 ARG A 37 10.517 -1.010 -19.813 1.00 53.32 H new ATOM 0 HH22 ARG A 37 9.742 -1.475 -21.331 1.00 53.32 H new ATOM 421 N THR A 38 9.823 -5.595 -15.019 1.00 43.23 N ATOM 422 CA THR A 38 10.649 -6.790 -14.900 1.00 11.22 C ATOM 423 C THR A 38 10.217 -7.640 -13.710 1.00 41.41 C ATOM 424 O THR A 38 10.202 -8.869 -13.784 1.00 43.52 O ATOM 425 CB THR A 38 12.139 -6.430 -14.746 1.00 33.44 C ATOM 426 OG1 THR A 38 12.577 -5.665 -15.873 1.00 42.24 O ATOM 427 CG2 THR A 38 12.988 -7.686 -14.618 1.00 31.05 C ATOM 0 H THR A 38 10.309 -4.724 -14.807 1.00 43.23 H new ATOM 0 HA THR A 38 10.514 -7.361 -15.819 1.00 11.22 H new ATOM 0 HB THR A 38 12.255 -5.838 -13.838 1.00 33.44 H new ATOM 0 HG1 THR A 38 12.236 -4.749 -15.799 1.00 42.24 H new ATOM 0 HG21 THR A 38 14.036 -7.407 -14.510 1.00 31.05 H new ATOM 0 HG22 THR A 38 12.671 -8.252 -13.742 1.00 31.05 H new ATOM 0 HG23 THR A 38 12.866 -8.300 -15.510 1.00 31.05 H new ATOM 435 N LYS A 39 9.865 -6.978 -12.613 1.00 42.10 N ATOM 436 CA LYS A 39 9.431 -7.672 -11.407 1.00 14.14 C ATOM 437 C LYS A 39 8.145 -8.453 -11.661 1.00 43.14 C ATOM 438 O LYS A 39 8.016 -9.606 -11.250 1.00 13.13 O ATOM 439 CB LYS A 39 9.215 -6.672 -10.268 1.00 23.30 C ATOM 440 CG LYS A 39 8.854 -7.326 -8.945 1.00 53.33 C ATOM 441 CD LYS A 39 10.075 -7.919 -8.264 1.00 65.00 C ATOM 442 CE LYS A 39 10.263 -9.383 -8.632 1.00 43.35 C ATOM 443 NZ LYS A 39 10.736 -10.190 -7.474 1.00 4.00 N ATOM 0 H LYS A 39 9.872 -5.961 -12.535 1.00 42.10 H new ATOM 0 HA LYS A 39 10.213 -8.376 -11.122 1.00 14.14 H new ATOM 0 HB2 LYS A 39 10.122 -6.082 -10.137 1.00 23.30 H new ATOM 0 HB3 LYS A 39 8.422 -5.979 -10.550 1.00 23.30 H new ATOM 0 HG2 LYS A 39 8.392 -6.589 -8.288 1.00 53.33 H new ATOM 0 HG3 LYS A 39 8.115 -8.109 -9.115 1.00 53.33 H new ATOM 0 HD2 LYS A 39 10.962 -7.354 -8.550 1.00 65.00 H new ATOM 0 HD3 LYS A 39 9.972 -7.825 -7.183 1.00 65.00 H new ATOM 0 HE2 LYS A 39 9.320 -9.790 -8.997 1.00 43.35 H new ATOM 0 HE3 LYS A 39 10.981 -9.463 -9.448 1.00 43.35 H new ATOM 0 HZ1 LYS A 39 10.852 -11.181 -7.766 1.00 4.00 H new ATOM 0 HZ2 LYS A 39 11.649 -9.818 -7.141 1.00 4.00 H new ATOM 0 HZ3 LYS A 39 10.039 -10.135 -6.704 1.00 4.00 H new ATOM 457 N VAL A 40 7.198 -7.818 -12.344 1.00 13.11 N ATOM 458 CA VAL A 40 5.924 -8.454 -12.656 1.00 34.41 C ATOM 459 C VAL A 40 6.106 -9.587 -13.660 1.00 23.13 C ATOM 460 O VAL A 40 5.573 -10.682 -13.479 1.00 72.41 O ATOM 461 CB VAL A 40 4.913 -7.439 -13.222 1.00 70.33 C ATOM 462 CG1 VAL A 40 3.560 -8.099 -13.444 1.00 25.11 C ATOM 463 CG2 VAL A 40 4.785 -6.241 -12.294 1.00 41.10 C ATOM 0 H VAL A 40 7.289 -6.863 -12.692 1.00 13.11 H new ATOM 0 HA VAL A 40 5.536 -8.859 -11.721 1.00 34.41 H new ATOM 0 HB VAL A 40 5.280 -7.086 -14.186 1.00 70.33 H new ATOM 0 HG11 VAL A 40 2.859 -7.366 -13.844 1.00 25.11 H new ATOM 0 HG12 VAL A 40 3.668 -8.922 -14.151 1.00 25.11 H new ATOM 0 HG13 VAL A 40 3.182 -8.483 -12.496 1.00 25.11 H new ATOM 0 HG21 VAL A 40 4.067 -5.534 -12.709 1.00 41.10 H new ATOM 0 HG22 VAL A 40 4.441 -6.574 -11.315 1.00 41.10 H new ATOM 0 HG23 VAL A 40 5.755 -5.755 -12.192 1.00 41.10 H new ATOM 473 N CYS A 41 6.863 -9.317 -14.717 1.00 45.40 N ATOM 474 CA CYS A 41 7.117 -10.314 -15.751 1.00 40.52 C ATOM 475 C CYS A 41 7.738 -11.572 -15.153 1.00 0.41 C ATOM 476 O CYS A 41 7.326 -12.688 -15.465 1.00 75.12 O ATOM 477 CB CYS A 41 8.038 -9.738 -16.828 1.00 73.45 C ATOM 478 SG CYS A 41 7.742 -10.403 -18.484 1.00 23.22 S ATOM 0 H CYS A 41 7.312 -8.416 -14.881 1.00 45.40 H new ATOM 0 HA CYS A 41 6.163 -10.583 -16.204 1.00 40.52 H new ATOM 0 HB2 CYS A 41 7.915 -8.655 -16.855 1.00 73.45 H new ATOM 0 HB3 CYS A 41 9.073 -9.934 -16.549 1.00 73.45 H new ATOM 0 HG CYS A 41 8.311 -11.567 -18.592 1.00 23.22 H new ATOM 484 N ALA A 42 8.733 -11.382 -14.293 1.00 21.34 N ATOM 485 CA ALA A 42 9.411 -12.502 -13.650 1.00 50.44 C ATOM 486 C ALA A 42 8.453 -13.287 -12.762 1.00 35.21 C ATOM 487 O ALA A 42 8.474 -14.518 -12.746 1.00 11.53 O ATOM 488 CB ALA A 42 10.598 -12.004 -12.839 1.00 63.42 C ATOM 0 H ALA A 42 9.088 -10.464 -14.025 1.00 21.34 H new ATOM 0 HA ALA A 42 9.773 -13.172 -14.430 1.00 50.44 H new ATOM 0 HB1 ALA A 42 11.095 -12.850 -12.364 1.00 63.42 H new ATOM 0 HB2 ALA A 42 11.300 -11.493 -13.498 1.00 63.42 H new ATOM 0 HB3 ALA A 42 10.250 -11.311 -12.073 1.00 63.42 H new ATOM 494 N MET A 43 7.613 -12.568 -12.024 1.00 24.14 N ATOM 495 CA MET A 43 6.647 -13.199 -11.133 1.00 33.33 C ATOM 496 C MET A 43 5.708 -14.116 -11.911 1.00 12.23 C ATOM 497 O MET A 43 5.204 -15.104 -11.376 1.00 63.25 O ATOM 498 CB MET A 43 5.838 -12.136 -10.387 1.00 2.10 C ATOM 499 CG MET A 43 6.249 -11.969 -8.933 1.00 41.41 C ATOM 500 SD MET A 43 4.942 -12.439 -7.783 1.00 41.34 S ATOM 501 CE MET A 43 5.907 -12.934 -6.358 1.00 0.41 C ATOM 0 H MET A 43 7.582 -11.548 -12.026 1.00 24.14 H new ATOM 0 HA MET A 43 7.197 -13.801 -10.409 1.00 33.33 H new ATOM 0 HB2 MET A 43 5.949 -11.180 -10.900 1.00 2.10 H new ATOM 0 HB3 MET A 43 4.781 -12.399 -10.429 1.00 2.10 H new ATOM 0 HG2 MET A 43 7.134 -12.574 -8.738 1.00 41.41 H new ATOM 0 HG3 MET A 43 6.528 -10.930 -8.755 1.00 41.41 H new ATOM 0 HE1 MET A 43 5.238 -13.253 -5.559 1.00 0.41 H new ATOM 0 HE2 MET A 43 6.564 -13.760 -6.632 1.00 0.41 H new ATOM 0 HE3 MET A 43 6.507 -12.091 -6.015 1.00 0.41 H new ATOM 511 N LYS A 44 5.476 -13.782 -13.176 1.00 12.54 N ATOM 512 CA LYS A 44 4.598 -14.574 -14.028 1.00 62.44 C ATOM 513 C LYS A 44 5.405 -15.533 -14.898 1.00 23.22 C ATOM 514 O LYS A 44 4.845 -16.400 -15.569 1.00 63.03 O ATOM 515 CB LYS A 44 3.749 -13.659 -14.913 1.00 42.31 C ATOM 516 CG LYS A 44 3.149 -12.479 -14.168 1.00 72.11 C ATOM 517 CD LYS A 44 1.650 -12.379 -14.398 1.00 41.41 C ATOM 518 CE LYS A 44 0.913 -13.567 -13.799 1.00 4.54 C ATOM 519 NZ LYS A 44 0.118 -14.300 -14.822 1.00 14.41 N ATOM 0 H LYS A 44 5.885 -12.967 -13.634 1.00 12.54 H new ATOM 0 HA LYS A 44 3.941 -15.159 -13.385 1.00 62.44 H new ATOM 0 HB2 LYS A 44 4.364 -13.286 -15.732 1.00 42.31 H new ATOM 0 HB3 LYS A 44 2.944 -14.243 -15.359 1.00 42.31 H new ATOM 0 HG2 LYS A 44 3.348 -12.581 -13.101 1.00 72.11 H new ATOM 0 HG3 LYS A 44 3.631 -11.558 -14.495 1.00 72.11 H new ATOM 0 HD2 LYS A 44 1.274 -11.456 -13.956 1.00 41.41 H new ATOM 0 HD3 LYS A 44 1.448 -12.326 -15.468 1.00 41.41 H new ATOM 0 HE2 LYS A 44 1.632 -14.247 -13.342 1.00 4.54 H new ATOM 0 HE3 LYS A 44 0.252 -13.221 -13.005 1.00 4.54 H new ATOM 0 HZ1 LYS A 44 -0.821 -14.526 -14.436 1.00 14.41 H new ATOM 0 HZ2 LYS A 44 0.010 -13.706 -15.669 1.00 14.41 H new ATOM 0 HZ3 LYS A 44 0.609 -15.181 -15.077 1.00 14.41 H new ATOM 533 N LYS A 45 6.724 -15.373 -14.880 1.00 22.32 N ATOM 534 CA LYS A 45 7.610 -16.226 -15.664 1.00 35.11 C ATOM 535 C LYS A 45 7.281 -16.131 -17.150 1.00 74.14 C ATOM 536 O LYS A 45 7.014 -17.141 -17.803 1.00 53.24 O ATOM 537 CB LYS A 45 7.496 -17.679 -15.198 1.00 25.34 C ATOM 538 CG LYS A 45 8.348 -17.995 -13.980 1.00 73.30 C ATOM 539 CD LYS A 45 9.424 -19.018 -14.302 1.00 63.05 C ATOM 540 CE LYS A 45 10.517 -18.421 -15.176 1.00 53.31 C ATOM 541 NZ LYS A 45 10.751 -19.232 -16.403 1.00 3.51 N ATOM 0 H LYS A 45 7.203 -14.660 -14.331 1.00 22.32 H new ATOM 0 HA LYS A 45 8.633 -15.881 -15.513 1.00 35.11 H new ATOM 0 HB2 LYS A 45 6.453 -17.898 -14.968 1.00 25.34 H new ATOM 0 HB3 LYS A 45 7.787 -18.338 -16.016 1.00 25.34 H new ATOM 0 HG2 LYS A 45 8.813 -17.080 -13.613 1.00 73.30 H new ATOM 0 HG3 LYS A 45 7.713 -18.373 -13.179 1.00 73.30 H new ATOM 0 HD2 LYS A 45 9.861 -19.392 -13.376 1.00 63.05 H new ATOM 0 HD3 LYS A 45 8.976 -19.872 -14.810 1.00 63.05 H new ATOM 0 HE2 LYS A 45 10.241 -17.405 -15.459 1.00 53.31 H new ATOM 0 HE3 LYS A 45 11.442 -18.352 -14.604 1.00 53.31 H new ATOM 0 HZ1 LYS A 45 11.503 -18.792 -16.972 1.00 3.51 H new ATOM 0 HZ2 LYS A 45 11.039 -20.194 -16.133 1.00 3.51 H new ATOM 0 HZ3 LYS A 45 9.875 -19.277 -16.962 1.00 3.51 H new ATOM 555 N LEU A 46 7.303 -14.913 -17.680 1.00 11.13 N ATOM 556 CA LEU A 46 7.009 -14.686 -19.090 1.00 75.24 C ATOM 557 C LEU A 46 8.123 -13.886 -19.757 1.00 55.24 C ATOM 558 O LEU A 46 8.912 -13.207 -19.100 1.00 61.31 O ATOM 559 CB LEU A 46 5.676 -13.951 -19.242 1.00 13.11 C ATOM 560 CG LEU A 46 4.444 -14.831 -19.455 1.00 71.41 C ATOM 561 CD1 LEU A 46 3.491 -14.711 -18.276 1.00 24.53 C ATOM 562 CD2 LEU A 46 3.740 -14.459 -20.752 1.00 12.53 C ATOM 0 H LEU A 46 7.522 -14.067 -17.154 1.00 11.13 H new ATOM 0 HA LEU A 46 6.940 -15.656 -19.582 1.00 75.24 H new ATOM 0 HB2 LEU A 46 5.515 -13.345 -18.351 1.00 13.11 H new ATOM 0 HB3 LEU A 46 5.757 -13.264 -20.084 1.00 13.11 H new ATOM 0 HG LEU A 46 4.771 -15.868 -19.527 1.00 71.41 H new ATOM 0 HD11 LEU A 46 2.620 -15.344 -18.446 1.00 24.53 H new ATOM 0 HD12 LEU A 46 3.998 -15.028 -17.365 1.00 24.53 H new ATOM 0 HD13 LEU A 46 3.171 -13.674 -18.171 1.00 24.53 H new ATOM 0 HD21 LEU A 46 2.866 -15.096 -20.887 1.00 12.53 H new ATOM 0 HD22 LEU A 46 3.426 -13.416 -20.710 1.00 12.53 H new ATOM 0 HD23 LEU A 46 4.423 -14.599 -21.590 1.00 12.53 H new ATOM 574 N PRO A 47 8.188 -13.964 -21.095 1.00 3.42 N ATOM 575 CA PRO A 47 9.200 -13.251 -21.880 1.00 52.45 C ATOM 576 C PRO A 47 8.976 -11.742 -21.881 1.00 61.23 C ATOM 577 O PRO A 47 8.008 -11.234 -22.448 1.00 30.34 O ATOM 578 CB PRO A 47 9.019 -13.819 -23.290 1.00 44.33 C ATOM 579 CG PRO A 47 7.604 -14.282 -23.334 1.00 1.12 C ATOM 580 CD PRO A 47 7.280 -14.753 -21.943 1.00 72.21 C ATOM 0 HA PRO A 47 10.202 -13.389 -21.475 1.00 52.45 H new ATOM 0 HB2 PRO A 47 9.211 -13.061 -24.050 1.00 44.33 H new ATOM 0 HB3 PRO A 47 9.710 -14.641 -23.477 1.00 44.33 H new ATOM 0 HG2 PRO A 47 6.938 -13.474 -23.638 1.00 1.12 H new ATOM 0 HG3 PRO A 47 7.479 -15.087 -24.058 1.00 1.12 H new ATOM 0 HD2 PRO A 47 6.235 -14.571 -21.691 1.00 72.21 H new ATOM 0 HD3 PRO A 47 7.454 -15.823 -21.831 1.00 72.21 H new ATOM 588 N PRO A 48 9.891 -11.007 -21.233 1.00 4.03 N ATOM 589 CA PRO A 48 9.816 -9.546 -21.145 1.00 53.44 C ATOM 590 C PRO A 48 10.081 -8.870 -22.487 1.00 34.34 C ATOM 591 O PRO A 48 9.611 -7.760 -22.737 1.00 32.11 O ATOM 592 CB PRO A 48 10.917 -9.193 -20.142 1.00 52.33 C ATOM 593 CG PRO A 48 11.887 -10.319 -20.233 1.00 63.32 C ATOM 594 CD PRO A 48 11.071 -11.546 -20.535 1.00 41.42 C ATOM 0 HA PRO A 48 8.824 -9.206 -20.846 1.00 53.44 H new ATOM 0 HB2 PRO A 48 11.389 -8.243 -20.391 1.00 52.33 H new ATOM 0 HB3 PRO A 48 10.517 -9.096 -19.133 1.00 52.33 H new ATOM 0 HG2 PRO A 48 12.623 -10.137 -21.016 1.00 63.32 H new ATOM 0 HG3 PRO A 48 12.437 -10.436 -19.299 1.00 63.32 H new ATOM 0 HD2 PRO A 48 11.620 -12.250 -21.159 1.00 41.42 H new ATOM 0 HD3 PRO A 48 10.792 -12.077 -19.625 1.00 41.42 H new ATOM 602 N ASP A 49 10.835 -9.547 -23.346 1.00 11.14 N ATOM 603 CA ASP A 49 11.161 -9.012 -24.663 1.00 31.53 C ATOM 604 C ASP A 49 9.904 -8.863 -25.515 1.00 24.31 C ATOM 605 O ASP A 49 9.738 -7.873 -26.228 1.00 21.00 O ATOM 606 CB ASP A 49 12.167 -9.921 -25.371 1.00 22.15 C ATOM 607 CG ASP A 49 13.587 -9.398 -25.274 1.00 20.40 C ATOM 608 OD1 ASP A 49 14.210 -9.568 -24.205 1.00 53.40 O ATOM 609 OD2 ASP A 49 14.075 -8.819 -26.267 1.00 63.21 O ATOM 0 H ASP A 49 11.232 -10.467 -23.154 1.00 11.14 H new ATOM 0 HA ASP A 49 11.606 -8.026 -24.528 1.00 31.53 H new ATOM 0 HB2 ASP A 49 12.120 -10.919 -24.936 1.00 22.15 H new ATOM 0 HB3 ASP A 49 11.889 -10.018 -26.421 1.00 22.15 H new ATOM 614 N THR A 50 9.022 -9.854 -25.437 1.00 75.32 N ATOM 615 CA THR A 50 7.781 -9.835 -26.202 1.00 44.25 C ATOM 616 C THR A 50 6.589 -9.516 -25.308 1.00 54.35 C ATOM 617 O THR A 50 5.492 -10.039 -25.508 1.00 32.11 O ATOM 618 CB THR A 50 7.535 -11.182 -26.907 1.00 33.22 C ATOM 619 OG1 THR A 50 7.261 -12.199 -25.937 1.00 25.43 O ATOM 620 CG2 THR A 50 8.739 -11.584 -27.744 1.00 45.44 C ATOM 0 H THR A 50 9.144 -10.680 -24.852 1.00 75.32 H new ATOM 0 HA THR A 50 7.886 -9.054 -26.955 1.00 44.25 H new ATOM 0 HB THR A 50 6.676 -11.069 -27.568 1.00 33.22 H new ATOM 0 HG1 THR A 50 7.104 -13.052 -26.393 1.00 25.43 H new ATOM 0 HG21 THR A 50 8.541 -12.538 -28.232 1.00 45.44 H new ATOM 0 HG22 THR A 50 8.927 -10.822 -28.500 1.00 45.44 H new ATOM 0 HG23 THR A 50 9.614 -11.680 -27.101 1.00 45.44 H new ATOM 628 N THR A 51 6.809 -8.653 -24.321 1.00 54.44 N ATOM 629 CA THR A 51 5.752 -8.264 -23.396 1.00 52.02 C ATOM 630 C THR A 51 5.846 -6.784 -23.045 1.00 14.41 C ATOM 631 O THR A 51 6.916 -6.286 -22.695 1.00 52.54 O ATOM 632 CB THR A 51 5.808 -9.092 -22.099 1.00 23.42 C ATOM 633 OG1 THR A 51 5.536 -10.469 -22.384 1.00 50.04 O ATOM 634 CG2 THR A 51 4.805 -8.572 -21.081 1.00 32.44 C ATOM 0 H THR A 51 7.710 -8.210 -24.142 1.00 54.44 H new ATOM 0 HA THR A 51 4.805 -8.456 -23.900 1.00 52.02 H new ATOM 0 HB THR A 51 6.809 -9.000 -21.679 1.00 23.42 H new ATOM 0 HG1 THR A 51 6.370 -10.924 -22.626 1.00 50.04 H new ATOM 0 HG21 THR A 51 4.863 -9.173 -20.173 1.00 32.44 H new ATOM 0 HG22 THR A 51 5.033 -7.533 -20.844 1.00 32.44 H new ATOM 0 HG23 THR A 51 3.799 -8.637 -21.495 1.00 32.44 H new ATOM 642 N ARG A 52 4.719 -6.085 -23.139 1.00 72.31 N ATOM 643 CA ARG A 52 4.675 -4.661 -22.831 1.00 53.14 C ATOM 644 C ARG A 52 3.807 -4.396 -21.604 1.00 63.42 C ATOM 645 O ARG A 52 3.055 -5.267 -21.163 1.00 5.42 O ATOM 646 CB ARG A 52 4.136 -3.875 -24.029 1.00 24.24 C ATOM 647 CG ARG A 52 5.217 -3.165 -24.827 1.00 5.24 C ATOM 648 CD ARG A 52 5.313 -1.695 -24.450 1.00 13.41 C ATOM 649 NE ARG A 52 4.854 -0.823 -25.528 1.00 2.51 N ATOM 650 CZ ARG A 52 5.548 -0.601 -26.639 1.00 55.21 C ATOM 651 NH1 ARG A 52 6.724 -1.185 -26.818 1.00 5.34 N ATOM 652 NH2 ARG A 52 5.063 0.206 -27.575 1.00 25.03 N ATOM 0 H ARG A 52 3.824 -6.482 -23.426 1.00 72.31 H new ATOM 0 HA ARG A 52 5.691 -4.330 -22.614 1.00 53.14 H new ATOM 0 HB2 ARG A 52 3.598 -4.557 -24.688 1.00 24.24 H new ATOM 0 HB3 ARG A 52 3.415 -3.139 -23.675 1.00 24.24 H new ATOM 0 HG2 ARG A 52 6.177 -3.650 -24.652 1.00 5.24 H new ATOM 0 HG3 ARG A 52 5.003 -3.255 -25.892 1.00 5.24 H new ATOM 0 HD2 ARG A 52 4.718 -1.510 -23.556 1.00 13.41 H new ATOM 0 HD3 ARG A 52 6.346 -1.451 -24.201 1.00 13.41 H new ATOM 0 HE ARG A 52 3.952 -0.359 -25.422 1.00 2.51 H new ATOM 0 HH11 ARG A 52 7.099 -1.807 -26.102 1.00 5.34 H new ATOM 0 HH12 ARG A 52 7.254 -1.013 -27.672 1.00 5.34 H new ATOM 0 HH21 ARG A 52 4.157 0.656 -27.441 1.00 25.03 H new ATOM 0 HH22 ARG A 52 5.596 0.376 -28.428 1.00 25.03 H new ATOM 666 N LEU A 53 3.917 -3.191 -21.057 1.00 41.24 N ATOM 667 CA LEU A 53 3.143 -2.811 -19.880 1.00 63.14 C ATOM 668 C LEU A 53 2.715 -1.349 -19.959 1.00 21.24 C ATOM 669 O LEU A 53 3.527 -0.467 -20.238 1.00 3.54 O ATOM 670 CB LEU A 53 3.962 -3.047 -18.610 1.00 34.42 C ATOM 671 CG LEU A 53 3.189 -3.586 -17.405 1.00 5.33 C ATOM 672 CD1 LEU A 53 2.064 -2.636 -17.024 1.00 24.00 C ATOM 673 CD2 LEU A 53 2.641 -4.974 -17.700 1.00 20.23 C ATOM 0 H LEU A 53 4.535 -2.460 -21.409 1.00 41.24 H new ATOM 0 HA LEU A 53 2.247 -3.431 -19.848 1.00 63.14 H new ATOM 0 HB2 LEU A 53 4.765 -3.746 -18.844 1.00 34.42 H new ATOM 0 HB3 LEU A 53 4.432 -2.106 -18.324 1.00 34.42 H new ATOM 0 HG LEU A 53 3.875 -3.660 -16.561 1.00 5.33 H new ATOM 0 HD11 LEU A 53 1.525 -3.036 -16.165 1.00 24.00 H new ATOM 0 HD12 LEU A 53 2.481 -1.662 -16.769 1.00 24.00 H new ATOM 0 HD13 LEU A 53 1.378 -2.529 -17.864 1.00 24.00 H new ATOM 0 HD21 LEU A 53 2.094 -5.341 -16.832 1.00 20.23 H new ATOM 0 HD22 LEU A 53 1.970 -4.926 -18.558 1.00 20.23 H new ATOM 0 HD23 LEU A 53 3.466 -5.651 -17.923 1.00 20.23 H new ATOM 685 N THR A 54 1.434 -1.099 -19.708 1.00 55.04 N ATOM 686 CA THR A 54 0.897 0.256 -19.749 1.00 61.53 C ATOM 687 C THR A 54 0.148 0.589 -18.464 1.00 43.32 C ATOM 688 O THR A 54 -0.500 -0.273 -17.870 1.00 4.30 O ATOM 689 CB THR A 54 -0.051 0.448 -20.948 1.00 14.24 C ATOM 690 OG1 THR A 54 -0.571 -0.818 -21.369 1.00 53.43 O ATOM 691 CG2 THR A 54 0.671 1.117 -22.107 1.00 51.33 C ATOM 0 H THR A 54 0.749 -1.817 -19.474 1.00 55.04 H new ATOM 0 HA THR A 54 1.747 0.930 -19.856 1.00 61.53 H new ATOM 0 HB THR A 54 -0.873 1.091 -20.634 1.00 14.24 H new ATOM 0 HG1 THR A 54 -1.174 -0.687 -22.130 1.00 53.43 H new ATOM 0 HG21 THR A 54 -0.019 1.242 -22.942 1.00 51.33 H new ATOM 0 HG22 THR A 54 1.039 2.093 -21.791 1.00 51.33 H new ATOM 0 HG23 THR A 54 1.511 0.496 -22.420 1.00 51.33 H new ATOM 699 N TYR A 55 0.240 1.845 -18.041 1.00 24.14 N ATOM 700 CA TYR A 55 -0.428 2.292 -16.824 1.00 45.11 C ATOM 701 C TYR A 55 -1.337 3.484 -17.108 1.00 62.34 C ATOM 702 O TYR A 55 -0.910 4.481 -17.692 1.00 33.34 O ATOM 703 CB TYR A 55 0.604 2.666 -15.759 1.00 3.51 C ATOM 704 CG TYR A 55 0.029 3.469 -14.614 1.00 33.43 C ATOM 705 CD1 TYR A 55 -1.169 3.099 -14.014 1.00 3.54 C ATOM 706 CD2 TYR A 55 0.683 4.595 -14.131 1.00 42.52 C ATOM 707 CE1 TYR A 55 -1.699 3.830 -12.968 1.00 5.03 C ATOM 708 CE2 TYR A 55 0.161 5.331 -13.085 1.00 5.23 C ATOM 709 CZ TYR A 55 -1.030 4.945 -12.507 1.00 23.33 C ATOM 710 OH TYR A 55 -1.554 5.674 -11.464 1.00 45.31 O ATOM 0 H TYR A 55 0.770 2.571 -18.522 1.00 24.14 H new ATOM 0 HA TYR A 55 -1.041 1.470 -16.454 1.00 45.11 H new ATOM 0 HB2 TYR A 55 1.052 1.755 -15.363 1.00 3.51 H new ATOM 0 HB3 TYR A 55 1.405 3.238 -16.227 1.00 3.51 H new ATOM 0 HD1 TYR A 55 -1.694 2.226 -14.371 1.00 3.54 H new ATOM 0 HD2 TYR A 55 1.616 4.901 -14.581 1.00 42.52 H new ATOM 0 HE1 TYR A 55 -2.632 3.530 -12.514 1.00 5.03 H new ATOM 0 HE2 TYR A 55 0.683 6.204 -12.722 1.00 5.23 H new ATOM 0 HH TYR A 55 -1.426 6.630 -11.636 1.00 45.31 H new ATOM 720 N LYS A 56 -2.594 3.373 -16.691 1.00 45.24 N ATOM 721 CA LYS A 56 -3.565 4.440 -16.898 1.00 13.51 C ATOM 722 C LYS A 56 -3.702 4.773 -18.380 1.00 63.23 C ATOM 723 O LYS A 56 -3.936 5.923 -18.750 1.00 23.34 O ATOM 724 CB LYS A 56 -3.152 5.692 -16.120 1.00 34.23 C ATOM 725 CG LYS A 56 -4.302 6.648 -15.851 1.00 44.15 C ATOM 726 CD LYS A 56 -3.842 8.096 -15.888 1.00 53.01 C ATOM 727 CE LYS A 56 -4.282 8.788 -17.169 1.00 64.14 C ATOM 728 NZ LYS A 56 -3.849 10.212 -17.207 1.00 41.31 N ATOM 0 H LYS A 56 -2.964 2.554 -16.208 1.00 45.24 H new ATOM 0 HA LYS A 56 -4.531 4.093 -16.531 1.00 13.51 H new ATOM 0 HB2 LYS A 56 -2.712 5.390 -15.170 1.00 34.23 H new ATOM 0 HB3 LYS A 56 -2.377 6.217 -16.678 1.00 34.23 H new ATOM 0 HG2 LYS A 56 -5.085 6.495 -16.593 1.00 44.15 H new ATOM 0 HG3 LYS A 56 -4.739 6.429 -14.877 1.00 44.15 H new ATOM 0 HD2 LYS A 56 -4.246 8.629 -15.028 1.00 53.01 H new ATOM 0 HD3 LYS A 56 -2.756 8.136 -15.806 1.00 53.01 H new ATOM 0 HE2 LYS A 56 -3.868 8.260 -18.028 1.00 64.14 H new ATOM 0 HE3 LYS A 56 -5.367 8.736 -17.255 1.00 64.14 H new ATOM 0 HZ1 LYS A 56 -4.168 10.648 -18.096 1.00 41.31 H new ATOM 0 HZ2 LYS A 56 -4.264 10.723 -16.402 1.00 41.31 H new ATOM 0 HZ3 LYS A 56 -2.812 10.261 -17.150 1.00 41.31 H new ATOM 742 N GLY A 57 -3.555 3.757 -19.226 1.00 51.20 N ATOM 743 CA GLY A 57 -3.667 3.963 -20.658 1.00 63.43 C ATOM 744 C GLY A 57 -2.487 4.724 -21.229 1.00 3.25 C ATOM 745 O GLY A 57 -2.542 5.213 -22.357 1.00 64.01 O ATOM 0 H GLY A 57 -3.361 2.796 -18.945 1.00 51.20 H new ATOM 0 HA2 GLY A 57 -3.747 2.997 -21.156 1.00 63.43 H new ATOM 0 HA3 GLY A 57 -4.586 4.509 -20.873 1.00 63.43 H new ATOM 749 N ARG A 58 -1.417 4.827 -20.446 1.00 70.05 N ATOM 750 CA ARG A 58 -0.220 5.537 -20.879 1.00 43.32 C ATOM 751 C ARG A 58 0.990 4.608 -20.888 1.00 64.24 C ATOM 752 O ARG A 58 1.052 3.646 -20.124 1.00 21.51 O ATOM 753 CB ARG A 58 0.049 6.733 -19.963 1.00 70.23 C ATOM 754 CG ARG A 58 -0.095 8.077 -20.658 1.00 65.12 C ATOM 755 CD ARG A 58 -1.545 8.372 -21.007 1.00 31.23 C ATOM 756 NE ARG A 58 -1.870 9.786 -20.845 1.00 51.43 N ATOM 757 CZ ARG A 58 -3.074 10.295 -21.082 1.00 10.53 C ATOM 758 NH1 ARG A 58 -4.062 9.510 -21.487 1.00 62.53 N ATOM 759 NH2 ARG A 58 -3.292 11.593 -20.912 1.00 0.33 N ATOM 0 H ARG A 58 -1.355 4.428 -19.509 1.00 70.05 H new ATOM 0 HA ARG A 58 -0.389 5.896 -21.894 1.00 43.32 H new ATOM 0 HB2 ARG A 58 -0.639 6.695 -19.118 1.00 70.23 H new ATOM 0 HB3 ARG A 58 1.057 6.650 -19.557 1.00 70.23 H new ATOM 0 HG2 ARG A 58 0.292 8.865 -20.012 1.00 65.12 H new ATOM 0 HG3 ARG A 58 0.508 8.084 -21.566 1.00 65.12 H new ATOM 0 HD2 ARG A 58 -1.738 8.071 -22.037 1.00 31.23 H new ATOM 0 HD3 ARG A 58 -2.199 7.775 -20.372 1.00 31.23 H new ATOM 0 HE ARG A 58 -1.132 10.418 -20.533 1.00 51.43 H new ATOM 0 HH11 ARG A 58 -3.899 8.512 -21.618 1.00 62.53 H new ATOM 0 HH12 ARG A 58 -4.985 9.904 -21.668 1.00 62.53 H new ATOM 0 HH21 ARG A 58 -2.535 12.201 -20.599 1.00 0.33 H new ATOM 0 HH22 ARG A 58 -4.217 11.983 -21.094 1.00 0.33 H new ATOM 773 N ALA A 59 1.950 4.903 -21.759 1.00 70.34 N ATOM 774 CA ALA A 59 3.158 4.095 -21.867 1.00 64.11 C ATOM 775 C ALA A 59 4.339 4.781 -21.189 1.00 25.32 C ATOM 776 O ALA A 59 4.711 5.899 -21.547 1.00 70.05 O ATOM 777 CB ALA A 59 3.477 3.814 -23.328 1.00 72.21 C ATOM 0 H ALA A 59 1.914 5.696 -22.400 1.00 70.34 H new ATOM 0 HA ALA A 59 2.979 3.148 -21.357 1.00 64.11 H new ATOM 0 HB1 ALA A 59 4.382 3.210 -23.393 1.00 72.21 H new ATOM 0 HB2 ALA A 59 2.647 3.275 -23.785 1.00 72.21 H new ATOM 0 HB3 ALA A 59 3.631 4.756 -23.854 1.00 72.21 H new ATOM 783 N LEU A 60 4.926 4.105 -20.207 1.00 33.21 N ATOM 784 CA LEU A 60 6.065 4.650 -19.477 1.00 64.42 C ATOM 785 C LEU A 60 7.260 3.705 -19.549 1.00 65.44 C ATOM 786 O LEU A 60 7.100 2.495 -19.713 1.00 24.20 O ATOM 787 CB LEU A 60 5.688 4.902 -18.016 1.00 75.44 C ATOM 788 CG LEU A 60 4.728 3.891 -17.387 1.00 72.04 C ATOM 789 CD1 LEU A 60 4.994 3.759 -15.896 1.00 63.51 C ATOM 790 CD2 LEU A 60 3.284 4.299 -17.639 1.00 14.12 C ATOM 0 H LEU A 60 4.632 3.178 -19.898 1.00 33.21 H new ATOM 0 HA LEU A 60 6.343 5.596 -19.942 1.00 64.42 H new ATOM 0 HB2 LEU A 60 6.603 4.922 -17.424 1.00 75.44 H new ATOM 0 HB3 LEU A 60 5.240 5.893 -17.943 1.00 75.44 H new ATOM 0 HG LEU A 60 4.897 2.920 -17.853 1.00 72.04 H new ATOM 0 HD11 LEU A 60 4.302 3.036 -15.466 1.00 63.51 H new ATOM 0 HD12 LEU A 60 6.018 3.420 -15.738 1.00 63.51 H new ATOM 0 HD13 LEU A 60 4.854 4.727 -15.414 1.00 63.51 H new ATOM 0 HD21 LEU A 60 2.615 3.568 -17.185 1.00 14.12 H new ATOM 0 HD22 LEU A 60 3.101 5.280 -17.201 1.00 14.12 H new ATOM 0 HD23 LEU A 60 3.100 4.341 -18.713 1.00 14.12 H new ATOM 802 N LYS A 61 8.459 4.264 -19.424 1.00 41.23 N ATOM 803 CA LYS A 61 9.682 3.472 -19.472 1.00 5.33 C ATOM 804 C LYS A 61 10.856 4.248 -18.882 1.00 11.12 C ATOM 805 O LYS A 61 11.267 4.003 -17.747 1.00 72.14 O ATOM 806 CB LYS A 61 9.998 3.069 -20.914 1.00 34.42 C ATOM 807 CG LYS A 61 9.320 3.945 -21.953 1.00 11.23 C ATOM 808 CD LYS A 61 9.819 3.636 -23.354 1.00 41.22 C ATOM 809 CE LYS A 61 9.173 2.377 -23.911 1.00 22.20 C ATOM 810 NZ LYS A 61 10.072 1.666 -24.862 1.00 42.42 N ATOM 0 H LYS A 61 8.610 5.264 -19.289 1.00 41.23 H new ATOM 0 HA LYS A 61 9.526 2.573 -18.876 1.00 5.33 H new ATOM 0 HB2 LYS A 61 11.077 3.109 -21.065 1.00 34.42 H new ATOM 0 HB3 LYS A 61 9.693 2.034 -21.068 1.00 34.42 H new ATOM 0 HG2 LYS A 61 8.241 3.795 -21.909 1.00 11.23 H new ATOM 0 HG3 LYS A 61 9.506 4.994 -21.723 1.00 11.23 H new ATOM 0 HD2 LYS A 61 9.604 4.478 -24.012 1.00 41.22 H new ATOM 0 HD3 LYS A 61 10.902 3.513 -23.337 1.00 41.22 H new ATOM 0 HE2 LYS A 61 8.912 1.709 -23.090 1.00 22.20 H new ATOM 0 HE3 LYS A 61 8.244 2.639 -24.417 1.00 22.20 H new ATOM 0 HZ1 LYS A 61 9.595 0.814 -25.219 1.00 42.42 H new ATOM 0 HZ2 LYS A 61 10.301 2.294 -25.659 1.00 42.42 H new ATOM 0 HZ3 LYS A 61 10.948 1.393 -24.373 1.00 42.42 H new ATOM 824 N ASP A 62 11.390 5.185 -19.658 1.00 33.22 N ATOM 825 CA ASP A 62 12.514 5.998 -19.211 1.00 3.52 C ATOM 826 C ASP A 62 12.053 7.069 -18.226 1.00 64.24 C ATOM 827 O ASP A 62 12.867 7.799 -17.659 1.00 62.42 O ATOM 828 CB ASP A 62 13.206 6.653 -20.408 1.00 33.20 C ATOM 829 CG ASP A 62 14.707 6.444 -20.395 1.00 21.41 C ATOM 830 OD1 ASP A 62 15.415 7.264 -19.774 1.00 25.10 O ATOM 831 OD2 ASP A 62 15.174 5.459 -21.005 1.00 11.22 O ATOM 0 H ASP A 62 11.062 5.400 -20.600 1.00 33.22 H new ATOM 0 HA ASP A 62 13.224 5.344 -18.704 1.00 3.52 H new ATOM 0 HB2 ASP A 62 12.793 6.245 -21.331 1.00 33.20 H new ATOM 0 HB3 ASP A 62 12.991 7.722 -20.408 1.00 33.20 H new ATOM 836 N THR A 63 10.742 7.158 -18.028 1.00 52.23 N ATOM 837 CA THR A 63 10.172 8.140 -17.115 1.00 11.43 C ATOM 838 C THR A 63 10.736 7.975 -15.708 1.00 40.22 C ATOM 839 O THR A 63 10.677 8.896 -14.895 1.00 2.45 O ATOM 840 CB THR A 63 8.637 8.029 -17.056 1.00 73.12 C ATOM 841 OG1 THR A 63 8.143 7.424 -18.257 1.00 24.45 O ATOM 842 CG2 THR A 63 8.001 9.399 -16.875 1.00 2.11 C ATOM 0 H THR A 63 10.055 6.561 -18.488 1.00 52.23 H new ATOM 0 HA THR A 63 10.443 9.123 -17.500 1.00 11.43 H new ATOM 0 HB THR A 63 8.373 7.407 -16.200 1.00 73.12 H new ATOM 0 HG1 THR A 63 7.166 7.355 -18.211 1.00 24.45 H new ATOM 0 HG21 THR A 63 6.917 9.295 -16.836 1.00 2.11 H new ATOM 0 HG22 THR A 63 8.356 9.845 -15.946 1.00 2.11 H new ATOM 0 HG23 THR A 63 8.274 10.040 -17.713 1.00 2.11 H new ATOM 850 N GLU A 64 11.283 6.796 -15.430 1.00 10.05 N ATOM 851 CA GLU A 64 11.858 6.512 -14.120 1.00 33.31 C ATOM 852 C GLU A 64 10.782 6.535 -13.037 1.00 64.23 C ATOM 853 O GLU A 64 10.279 5.490 -12.623 1.00 54.12 O ATOM 854 CB GLU A 64 12.953 7.527 -13.788 1.00 22.12 C ATOM 855 CG GLU A 64 14.361 6.986 -13.974 1.00 31.13 C ATOM 856 CD GLU A 64 15.411 8.080 -13.974 1.00 30.13 C ATOM 857 OE1 GLU A 64 15.578 8.741 -15.020 1.00 61.12 O ATOM 858 OE2 GLU A 64 16.065 8.275 -12.928 1.00 65.14 O ATOM 0 H GLU A 64 11.340 6.023 -16.093 1.00 10.05 H new ATOM 0 HA GLU A 64 12.296 5.514 -14.152 1.00 33.31 H new ATOM 0 HB2 GLU A 64 12.825 8.407 -14.419 1.00 22.12 H new ATOM 0 HB3 GLU A 64 12.832 7.855 -12.755 1.00 22.12 H new ATOM 0 HG2 GLU A 64 14.582 6.276 -13.177 1.00 31.13 H new ATOM 0 HG3 GLU A 64 14.414 6.437 -14.914 1.00 31.13 H new ATOM 865 N THR A 65 10.435 7.735 -12.582 1.00 24.44 N ATOM 866 CA THR A 65 9.422 7.895 -11.546 1.00 42.24 C ATOM 867 C THR A 65 8.147 8.508 -12.115 1.00 64.21 C ATOM 868 O THR A 65 8.179 9.196 -13.136 1.00 70.24 O ATOM 869 CB THR A 65 9.933 8.779 -10.393 1.00 13.21 C ATOM 870 OG1 THR A 65 8.846 9.137 -9.532 1.00 51.31 O ATOM 871 CG2 THR A 65 10.597 10.038 -10.929 1.00 45.02 C ATOM 0 H THR A 65 10.840 8.610 -12.915 1.00 24.44 H new ATOM 0 HA THR A 65 9.203 6.899 -11.161 1.00 42.24 H new ATOM 0 HB THR A 65 10.672 8.210 -9.829 1.00 13.21 H new ATOM 0 HG1 THR A 65 9.179 9.698 -8.800 1.00 51.31 H new ATOM 0 HG21 THR A 65 10.950 10.646 -10.096 1.00 45.02 H new ATOM 0 HG22 THR A 65 11.442 9.763 -11.561 1.00 45.02 H new ATOM 0 HG23 THR A 65 9.876 10.608 -11.515 1.00 45.02 H new ATOM 879 N LEU A 66 7.027 8.255 -11.448 1.00 74.14 N ATOM 880 CA LEU A 66 5.739 8.783 -11.887 1.00 65.24 C ATOM 881 C LEU A 66 5.132 9.692 -10.824 1.00 5.12 C ATOM 882 O LEU A 66 4.128 10.360 -11.065 1.00 53.03 O ATOM 883 CB LEU A 66 4.777 7.637 -12.204 1.00 63.34 C ATOM 884 CG LEU A 66 4.362 7.494 -13.669 1.00 42.31 C ATOM 885 CD1 LEU A 66 5.318 6.569 -14.407 1.00 54.52 C ATOM 886 CD2 LEU A 66 2.934 6.980 -13.771 1.00 53.11 C ATOM 0 H LEU A 66 6.984 7.688 -10.601 1.00 74.14 H new ATOM 0 HA LEU A 66 5.904 9.371 -12.790 1.00 65.24 H new ATOM 0 HB2 LEU A 66 5.239 6.703 -11.885 1.00 63.34 H new ATOM 0 HB3 LEU A 66 3.877 7.768 -11.603 1.00 63.34 H new ATOM 0 HG LEU A 66 4.407 8.477 -14.137 1.00 42.31 H new ATOM 0 HD11 LEU A 66 5.007 6.479 -15.448 1.00 54.52 H new ATOM 0 HD12 LEU A 66 6.327 6.979 -14.364 1.00 54.52 H new ATOM 0 HD13 LEU A 66 5.306 5.585 -13.939 1.00 54.52 H new ATOM 0 HD21 LEU A 66 2.656 6.884 -14.821 1.00 53.11 H new ATOM 0 HD22 LEU A 66 2.862 6.006 -13.286 1.00 53.11 H new ATOM 0 HD23 LEU A 66 2.259 7.681 -13.279 1.00 53.11 H new ATOM 898 N GLU A 67 5.751 9.713 -9.647 1.00 43.44 N ATOM 899 CA GLU A 67 5.272 10.542 -8.548 1.00 11.42 C ATOM 900 C GLU A 67 5.227 12.013 -8.954 1.00 65.31 C ATOM 901 O GLU A 67 4.373 12.769 -8.493 1.00 50.53 O ATOM 902 CB GLU A 67 6.168 10.368 -7.320 1.00 2.10 C ATOM 903 CG GLU A 67 5.422 9.896 -6.084 1.00 33.04 C ATOM 904 CD GLU A 67 5.623 10.815 -4.894 1.00 54.14 C ATOM 905 OE1 GLU A 67 5.403 12.035 -5.045 1.00 3.41 O ATOM 906 OE2 GLU A 67 5.999 10.315 -3.814 1.00 70.10 O ATOM 0 H GLU A 67 6.584 9.166 -9.431 1.00 43.44 H new ATOM 0 HA GLU A 67 4.261 10.221 -8.300 1.00 11.42 H new ATOM 0 HB2 GLU A 67 6.956 9.652 -7.554 1.00 2.10 H new ATOM 0 HB3 GLU A 67 6.656 11.317 -7.099 1.00 2.10 H new ATOM 0 HG2 GLU A 67 4.358 9.828 -6.310 1.00 33.04 H new ATOM 0 HG3 GLU A 67 5.757 8.892 -5.823 1.00 33.04 H new ATOM 913 N SER A 68 6.155 12.410 -9.820 1.00 32.44 N ATOM 914 CA SER A 68 6.225 13.790 -10.285 1.00 62.32 C ATOM 915 C SER A 68 4.997 14.146 -11.117 1.00 33.31 C ATOM 916 O SER A 68 4.713 15.320 -11.355 1.00 51.44 O ATOM 917 CB SER A 68 7.495 14.008 -11.111 1.00 34.42 C ATOM 918 OG SER A 68 7.250 14.879 -12.202 1.00 23.34 O ATOM 0 H SER A 68 6.868 11.796 -10.213 1.00 32.44 H new ATOM 0 HA SER A 68 6.252 14.441 -9.411 1.00 62.32 H new ATOM 0 HB2 SER A 68 8.278 14.425 -10.477 1.00 34.42 H new ATOM 0 HB3 SER A 68 7.861 13.050 -11.481 1.00 34.42 H new ATOM 0 HG SER A 68 8.077 15.004 -12.713 1.00 23.34 H new ATOM 924 N LEU A 69 4.271 13.123 -11.556 1.00 11.41 N ATOM 925 CA LEU A 69 3.072 13.326 -12.362 1.00 12.44 C ATOM 926 C LEU A 69 1.815 13.225 -11.503 1.00 22.02 C ATOM 927 O LEU A 69 0.729 13.618 -11.926 1.00 33.44 O ATOM 928 CB LEU A 69 3.014 12.299 -13.494 1.00 0.15 C ATOM 929 CG LEU A 69 4.359 11.875 -14.084 1.00 21.41 C ATOM 930 CD1 LEU A 69 4.153 10.917 -15.248 1.00 0.54 C ATOM 931 CD2 LEU A 69 5.155 13.093 -14.528 1.00 2.23 C ATOM 0 H LEU A 69 4.492 12.145 -11.367 1.00 11.41 H new ATOM 0 HA LEU A 69 3.118 14.327 -12.791 1.00 12.44 H new ATOM 0 HB2 LEU A 69 2.505 11.409 -13.124 1.00 0.15 H new ATOM 0 HB3 LEU A 69 2.400 12.707 -14.297 1.00 0.15 H new ATOM 0 HG LEU A 69 4.926 11.358 -13.310 1.00 21.41 H new ATOM 0 HD11 LEU A 69 5.121 10.626 -15.655 1.00 0.54 H new ATOM 0 HD12 LEU A 69 3.624 10.030 -14.900 1.00 0.54 H new ATOM 0 HD13 LEU A 69 3.566 11.408 -16.024 1.00 0.54 H new ATOM 0 HD21 LEU A 69 6.109 12.772 -14.945 1.00 2.23 H new ATOM 0 HD22 LEU A 69 4.593 13.639 -15.286 1.00 2.23 H new ATOM 0 HD23 LEU A 69 5.334 13.743 -13.671 1.00 2.23 H new ATOM 943 N GLY A 70 1.972 12.697 -10.293 1.00 25.23 N ATOM 944 CA GLY A 70 0.843 12.555 -9.393 1.00 10.44 C ATOM 945 C GLY A 70 0.314 11.136 -9.345 1.00 31.32 C ATOM 946 O GLY A 70 -0.880 10.904 -9.535 1.00 70.52 O ATOM 0 H GLY A 70 2.861 12.365 -9.920 1.00 25.23 H new ATOM 0 HA2 GLY A 70 1.141 12.862 -8.391 1.00 10.44 H new ATOM 0 HA3 GLY A 70 0.044 13.227 -9.708 1.00 10.44 H new ATOM 950 N VAL A 71 1.205 10.182 -9.091 1.00 54.05 N ATOM 951 CA VAL A 71 0.821 8.777 -9.020 1.00 40.20 C ATOM 952 C VAL A 71 0.465 8.377 -7.593 1.00 33.32 C ATOM 953 O VAL A 71 1.102 8.817 -6.636 1.00 54.14 O ATOM 954 CB VAL A 71 1.948 7.861 -9.532 1.00 61.14 C ATOM 955 CG1 VAL A 71 3.138 7.897 -8.585 1.00 73.42 C ATOM 956 CG2 VAL A 71 1.439 6.438 -9.709 1.00 11.33 C ATOM 0 H VAL A 71 2.197 10.357 -8.931 1.00 54.05 H new ATOM 0 HA VAL A 71 -0.054 8.655 -9.658 1.00 40.20 H new ATOM 0 HB VAL A 71 2.277 8.228 -10.504 1.00 61.14 H new ATOM 0 HG11 VAL A 71 3.924 7.244 -8.963 1.00 73.42 H new ATOM 0 HG12 VAL A 71 3.516 8.917 -8.515 1.00 73.42 H new ATOM 0 HG13 VAL A 71 2.827 7.556 -7.597 1.00 73.42 H new ATOM 0 HG21 VAL A 71 2.249 5.804 -10.071 1.00 11.33 H new ATOM 0 HG22 VAL A 71 1.081 6.058 -8.752 1.00 11.33 H new ATOM 0 HG23 VAL A 71 0.622 6.431 -10.431 1.00 11.33 H new ATOM 966 N ALA A 72 -0.557 7.538 -7.457 1.00 54.21 N ATOM 967 CA ALA A 72 -0.997 7.076 -6.147 1.00 34.23 C ATOM 968 C ALA A 72 -0.863 5.562 -6.025 1.00 73.33 C ATOM 969 O ALA A 72 -0.522 4.880 -6.992 1.00 24.23 O ATOM 970 CB ALA A 72 -2.435 7.502 -5.892 1.00 15.41 C ATOM 0 H ALA A 72 -1.096 7.165 -8.239 1.00 54.21 H new ATOM 0 HA ALA A 72 -0.355 7.533 -5.394 1.00 34.23 H new ATOM 0 HB1 ALA A 72 -2.750 7.150 -4.910 1.00 15.41 H new ATOM 0 HB2 ALA A 72 -2.504 8.589 -5.927 1.00 15.41 H new ATOM 0 HB3 ALA A 72 -3.083 7.073 -6.656 1.00 15.41 H new ATOM 976 N ASP A 73 -1.133 5.042 -4.833 1.00 15.32 N ATOM 977 CA ASP A 73 -1.043 3.608 -4.585 1.00 72.03 C ATOM 978 C ASP A 73 -2.386 2.928 -4.835 1.00 22.03 C ATOM 979 O ASP A 73 -3.443 3.519 -4.617 1.00 5.11 O ATOM 980 CB ASP A 73 -0.583 3.344 -3.151 1.00 3.41 C ATOM 981 CG ASP A 73 -1.350 4.169 -2.136 1.00 23.22 C ATOM 982 OD1 ASP A 73 -1.061 5.378 -2.013 1.00 30.21 O ATOM 983 OD2 ASP A 73 -2.239 3.605 -1.465 1.00 12.32 O ATOM 0 H ASP A 73 -1.416 5.593 -4.023 1.00 15.32 H new ATOM 0 HA ASP A 73 -0.310 3.190 -5.276 1.00 72.03 H new ATOM 0 HB2 ASP A 73 -0.706 2.285 -2.922 1.00 3.41 H new ATOM 0 HB3 ASP A 73 0.481 3.567 -3.067 1.00 3.41 H new ATOM 988 N GLY A 74 -2.336 1.681 -5.294 1.00 41.34 N ATOM 989 CA GLY A 74 -3.554 0.942 -5.567 1.00 75.12 C ATOM 990 C GLY A 74 -4.076 1.182 -6.970 1.00 34.20 C ATOM 991 O GLY A 74 -5.280 1.348 -7.172 1.00 65.41 O ATOM 0 H GLY A 74 -1.473 1.170 -5.481 1.00 41.34 H new ATOM 0 HA2 GLY A 74 -3.368 -0.123 -5.429 1.00 75.12 H new ATOM 0 HA3 GLY A 74 -4.318 1.228 -4.844 1.00 75.12 H new ATOM 995 N ASP A 75 -3.170 1.202 -7.941 1.00 53.01 N ATOM 996 CA ASP A 75 -3.546 1.424 -9.333 1.00 3.23 C ATOM 997 C ASP A 75 -3.701 0.099 -10.072 1.00 23.10 C ATOM 998 O ASP A 75 -3.539 -0.973 -9.488 1.00 53.01 O ATOM 999 CB ASP A 75 -2.500 2.294 -10.033 1.00 31.33 C ATOM 1000 CG ASP A 75 -2.710 3.773 -9.774 1.00 23.33 C ATOM 1001 OD1 ASP A 75 -3.785 4.293 -10.140 1.00 23.15 O ATOM 1002 OD2 ASP A 75 -1.799 4.410 -9.205 1.00 32.25 O ATOM 0 H ASP A 75 -2.170 1.067 -7.790 1.00 53.01 H new ATOM 0 HA ASP A 75 -4.506 1.941 -9.347 1.00 3.23 H new ATOM 0 HB2 ASP A 75 -1.505 2.006 -9.692 1.00 31.33 H new ATOM 0 HB3 ASP A 75 -2.536 2.107 -11.106 1.00 31.33 H new ATOM 1007 N LYS A 76 -4.016 0.179 -11.360 1.00 41.32 N ATOM 1008 CA LYS A 76 -4.193 -1.013 -12.181 1.00 11.21 C ATOM 1009 C LYS A 76 -3.176 -1.047 -13.317 1.00 71.13 C ATOM 1010 O LYS A 76 -3.021 -0.073 -14.055 1.00 32.44 O ATOM 1011 CB LYS A 76 -5.613 -1.058 -12.751 1.00 65.21 C ATOM 1012 CG LYS A 76 -6.603 -1.788 -11.860 1.00 1.40 C ATOM 1013 CD LYS A 76 -7.799 -2.290 -12.651 1.00 33.24 C ATOM 1014 CE LYS A 76 -8.888 -1.232 -12.748 1.00 25.02 C ATOM 1015 NZ LYS A 76 -10.216 -1.830 -13.055 1.00 14.31 N ATOM 0 H LYS A 76 -4.154 1.058 -11.859 1.00 41.32 H new ATOM 0 HA LYS A 76 -4.034 -1.887 -11.549 1.00 11.21 H new ATOM 0 HB2 LYS A 76 -5.964 -0.038 -12.911 1.00 65.21 H new ATOM 0 HB3 LYS A 76 -5.589 -1.543 -13.727 1.00 65.21 H new ATOM 0 HG2 LYS A 76 -6.107 -2.629 -11.376 1.00 1.40 H new ATOM 0 HG3 LYS A 76 -6.943 -1.120 -11.069 1.00 1.40 H new ATOM 0 HD2 LYS A 76 -7.479 -2.577 -13.653 1.00 33.24 H new ATOM 0 HD3 LYS A 76 -8.201 -3.185 -12.176 1.00 33.24 H new ATOM 0 HE2 LYS A 76 -8.946 -0.683 -11.808 1.00 25.02 H new ATOM 0 HE3 LYS A 76 -8.626 -0.511 -13.523 1.00 25.02 H new ATOM 0 HZ1 LYS A 76 -10.931 -1.077 -13.113 1.00 14.31 H new ATOM 0 HZ2 LYS A 76 -10.169 -2.333 -13.964 1.00 14.31 H new ATOM 0 HZ3 LYS A 76 -10.478 -2.499 -12.303 1.00 14.31 H new ATOM 1029 N PHE A 77 -2.486 -2.175 -13.454 1.00 12.31 N ATOM 1030 CA PHE A 77 -1.484 -2.336 -14.501 1.00 53.32 C ATOM 1031 C PHE A 77 -1.945 -3.351 -15.543 1.00 22.00 C ATOM 1032 O PHE A 77 -2.348 -4.464 -15.206 1.00 32.24 O ATOM 1033 CB PHE A 77 -0.150 -2.778 -13.896 1.00 52.05 C ATOM 1034 CG PHE A 77 0.751 -1.633 -13.531 1.00 21.41 C ATOM 1035 CD1 PHE A 77 0.245 -0.513 -12.892 1.00 2.13 C ATOM 1036 CD2 PHE A 77 2.104 -1.678 -13.826 1.00 21.12 C ATOM 1037 CE1 PHE A 77 1.072 0.542 -12.555 1.00 63.10 C ATOM 1038 CE2 PHE A 77 2.936 -0.626 -13.491 1.00 62.41 C ATOM 1039 CZ PHE A 77 2.420 0.485 -12.854 1.00 34.41 C ATOM 0 H PHE A 77 -2.603 -2.991 -12.853 1.00 12.31 H new ATOM 0 HA PHE A 77 -1.350 -1.373 -14.993 1.00 53.32 H new ATOM 0 HB2 PHE A 77 -0.344 -3.375 -13.005 1.00 52.05 H new ATOM 0 HB3 PHE A 77 0.366 -3.424 -14.607 1.00 52.05 H new ATOM 0 HD1 PHE A 77 -0.807 -0.464 -12.654 1.00 2.13 H new ATOM 0 HD2 PHE A 77 2.513 -2.545 -14.323 1.00 21.12 H new ATOM 0 HE1 PHE A 77 0.665 1.410 -12.058 1.00 63.10 H new ATOM 0 HE2 PHE A 77 3.989 -0.673 -13.727 1.00 62.41 H new ATOM 0 HZ PHE A 77 3.068 1.307 -12.590 1.00 34.41 H new ATOM 1049 N VAL A 78 -1.882 -2.958 -16.811 1.00 71.54 N ATOM 1050 CA VAL A 78 -2.292 -3.833 -17.904 1.00 22.24 C ATOM 1051 C VAL A 78 -1.083 -4.462 -18.587 1.00 42.33 C ATOM 1052 O VAL A 78 -0.218 -3.759 -19.113 1.00 73.43 O ATOM 1053 CB VAL A 78 -3.122 -3.070 -18.953 1.00 1.02 C ATOM 1054 CG1 VAL A 78 -3.561 -4.005 -20.069 1.00 51.24 C ATOM 1055 CG2 VAL A 78 -4.324 -2.405 -18.299 1.00 41.24 C ATOM 0 H VAL A 78 -1.551 -2.040 -17.107 1.00 71.54 H new ATOM 0 HA VAL A 78 -2.908 -4.619 -17.467 1.00 22.24 H new ATOM 0 HB VAL A 78 -2.497 -2.291 -19.390 1.00 1.02 H new ATOM 0 HG11 VAL A 78 -4.146 -3.448 -20.801 1.00 51.24 H new ATOM 0 HG12 VAL A 78 -2.682 -4.430 -20.554 1.00 51.24 H new ATOM 0 HG13 VAL A 78 -4.169 -4.808 -19.653 1.00 51.24 H new ATOM 0 HG21 VAL A 78 -4.900 -1.870 -19.054 1.00 41.24 H new ATOM 0 HG22 VAL A 78 -4.952 -3.165 -17.835 1.00 41.24 H new ATOM 0 HG23 VAL A 78 -3.982 -1.703 -17.539 1.00 41.24 H new ATOM 1065 N LEU A 79 -1.028 -5.789 -18.577 1.00 51.10 N ATOM 1066 CA LEU A 79 0.076 -6.514 -19.197 1.00 75.01 C ATOM 1067 C LEU A 79 -0.363 -7.153 -20.511 1.00 44.32 C ATOM 1068 O LEU A 79 -1.405 -7.804 -20.579 1.00 34.14 O ATOM 1069 CB LEU A 79 0.604 -7.589 -18.246 1.00 31.03 C ATOM 1070 CG LEU A 79 1.586 -8.595 -18.848 1.00 52.41 C ATOM 1071 CD1 LEU A 79 2.598 -9.043 -17.805 1.00 53.01 C ATOM 1072 CD2 LEU A 79 0.840 -9.792 -19.419 1.00 51.34 C ATOM 0 H LEU A 79 -1.735 -6.385 -18.146 1.00 51.10 H new ATOM 0 HA LEU A 79 0.873 -5.801 -19.409 1.00 75.01 H new ATOM 0 HB2 LEU A 79 1.091 -7.095 -17.406 1.00 31.03 H new ATOM 0 HB3 LEU A 79 -0.247 -8.139 -17.843 1.00 31.03 H new ATOM 0 HG LEU A 79 2.125 -8.107 -19.660 1.00 52.41 H new ATOM 0 HD11 LEU A 79 3.288 -9.759 -18.252 1.00 53.01 H new ATOM 0 HD12 LEU A 79 3.155 -8.179 -17.444 1.00 53.01 H new ATOM 0 HD13 LEU A 79 2.077 -9.513 -16.971 1.00 53.01 H new ATOM 0 HD21 LEU A 79 1.554 -10.497 -19.843 1.00 51.34 H new ATOM 0 HD22 LEU A 79 0.275 -10.281 -18.625 1.00 51.34 H new ATOM 0 HD23 LEU A 79 0.156 -9.456 -20.198 1.00 51.34 H new ATOM 1084 N ILE A 80 0.441 -6.963 -21.552 1.00 63.20 N ATOM 1085 CA ILE A 80 0.138 -7.524 -22.863 1.00 12.41 C ATOM 1086 C ILE A 80 1.264 -8.431 -23.347 1.00 34.33 C ATOM 1087 O ILE A 80 2.437 -8.192 -23.058 1.00 71.54 O ATOM 1088 CB ILE A 80 -0.099 -6.417 -23.907 1.00 44.34 C ATOM 1089 CG1 ILE A 80 -1.114 -5.399 -23.383 1.00 43.00 C ATOM 1090 CG2 ILE A 80 -0.575 -7.020 -25.220 1.00 73.21 C ATOM 1091 CD1 ILE A 80 -0.488 -4.096 -22.937 1.00 22.22 C ATOM 0 H ILE A 80 1.307 -6.425 -21.513 1.00 63.20 H new ATOM 0 HA ILE A 80 -0.774 -8.110 -22.752 1.00 12.41 H new ATOM 0 HB ILE A 80 0.844 -5.901 -24.087 1.00 44.34 H new ATOM 0 HG12 ILE A 80 -1.846 -5.193 -24.164 1.00 43.00 H new ATOM 0 HG13 ILE A 80 -1.657 -5.837 -22.546 1.00 43.00 H new ATOM 0 HG21 ILE A 80 -0.738 -6.225 -25.948 1.00 73.21 H new ATOM 0 HG22 ILE A 80 0.180 -7.709 -25.599 1.00 73.21 H new ATOM 0 HG23 ILE A 80 -1.508 -7.559 -25.056 1.00 73.21 H new ATOM 0 HD11 ILE A 80 -1.266 -3.423 -22.578 1.00 22.22 H new ATOM 0 HD12 ILE A 80 0.223 -4.290 -22.134 1.00 22.22 H new ATOM 0 HD13 ILE A 80 0.031 -3.635 -23.777 1.00 22.22 H new ATOM 1103 N THR A 81 0.899 -9.474 -24.086 1.00 62.33 N ATOM 1104 CA THR A 81 1.878 -10.418 -24.611 1.00 72.04 C ATOM 1105 C THR A 81 1.858 -10.439 -26.136 1.00 23.35 C ATOM 1106 O THR A 81 0.797 -10.547 -26.751 1.00 23.34 O ATOM 1107 CB THR A 81 1.622 -11.843 -24.086 1.00 72.21 C ATOM 1108 OG1 THR A 81 2.568 -12.753 -24.658 1.00 22.35 O ATOM 1109 CG2 THR A 81 0.209 -12.297 -24.420 1.00 32.32 C ATOM 0 H THR A 81 -0.067 -9.686 -24.334 1.00 62.33 H new ATOM 0 HA THR A 81 2.857 -10.083 -24.267 1.00 72.04 H new ATOM 0 HB THR A 81 1.737 -11.833 -23.002 1.00 72.21 H new ATOM 0 HG1 THR A 81 2.400 -13.657 -24.318 1.00 22.35 H new ATOM 0 HG21 THR A 81 0.052 -13.306 -24.039 1.00 32.32 H new ATOM 0 HG22 THR A 81 -0.509 -11.619 -23.959 1.00 32.32 H new ATOM 0 HG23 THR A 81 0.071 -12.292 -25.501 1.00 32.32 H new ATOM 1117 N ARG A 82 3.038 -10.336 -26.739 1.00 73.43 N ATOM 1118 CA ARG A 82 3.155 -10.343 -28.192 1.00 64.44 C ATOM 1119 C ARG A 82 3.557 -11.726 -28.699 1.00 11.33 C ATOM 1120 O ARG A 82 4.471 -12.354 -28.163 1.00 73.34 O ATOM 1121 CB ARG A 82 4.182 -9.304 -28.647 1.00 74.03 C ATOM 1122 CG ARG A 82 3.644 -7.883 -28.661 1.00 13.52 C ATOM 1123 CD ARG A 82 4.192 -7.090 -29.837 1.00 62.54 C ATOM 1124 NE ARG A 82 4.577 -5.735 -29.453 1.00 70.10 N ATOM 1125 CZ ARG A 82 5.635 -5.457 -28.699 1.00 33.30 C ATOM 1126 NH1 ARG A 82 6.409 -6.436 -28.251 1.00 41.11 N ATOM 1127 NH2 ARG A 82 5.920 -4.198 -28.392 1.00 31.31 N ATOM 0 H ARG A 82 3.926 -10.247 -26.244 1.00 73.43 H new ATOM 0 HA ARG A 82 2.181 -10.090 -28.611 1.00 64.44 H new ATOM 0 HB2 ARG A 82 5.049 -9.349 -27.988 1.00 74.03 H new ATOM 0 HB3 ARG A 82 4.529 -9.562 -29.648 1.00 74.03 H new ATOM 0 HG2 ARG A 82 2.555 -7.906 -28.712 1.00 13.52 H new ATOM 0 HG3 ARG A 82 3.909 -7.384 -27.729 1.00 13.52 H new ATOM 0 HD2 ARG A 82 5.056 -7.608 -30.252 1.00 62.54 H new ATOM 0 HD3 ARG A 82 3.440 -7.043 -30.625 1.00 62.54 H new ATOM 0 HE ARG A 82 4.002 -4.959 -29.782 1.00 70.10 H new ATOM 0 HH11 ARG A 82 6.193 -7.405 -28.485 1.00 41.11 H new ATOM 0 HH12 ARG A 82 7.221 -6.220 -27.672 1.00 41.11 H new ATOM 0 HH21 ARG A 82 5.327 -3.443 -28.735 1.00 31.31 H new ATOM 0 HH22 ARG A 82 6.732 -3.986 -27.813 1.00 31.31 H new ATOM 1141 N THR A 83 2.867 -12.195 -29.734 1.00 42.41 N ATOM 1142 CA THR A 83 3.150 -13.502 -30.312 1.00 20.43 C ATOM 1143 C THR A 83 3.793 -13.368 -31.687 1.00 62.43 C ATOM 1144 O THR A 83 4.913 -13.830 -31.908 1.00 2.43 O ATOM 1145 CB THR A 83 1.870 -14.350 -30.436 1.00 61.24 C ATOM 1146 OG1 THR A 83 1.148 -14.331 -29.200 1.00 73.42 O ATOM 1147 CG2 THR A 83 2.206 -15.786 -30.811 1.00 42.34 C ATOM 0 H THR A 83 2.108 -11.688 -30.189 1.00 42.41 H new ATOM 0 HA THR A 83 3.845 -14.002 -29.637 1.00 20.43 H new ATOM 0 HB THR A 83 1.251 -13.921 -31.224 1.00 61.24 H new ATOM 0 HG1 THR A 83 0.335 -14.871 -29.288 1.00 73.42 H new ATOM 0 HG21 THR A 83 1.286 -16.365 -30.893 1.00 42.34 H new ATOM 0 HG22 THR A 83 2.730 -15.799 -31.767 1.00 42.34 H new ATOM 0 HG23 THR A 83 2.843 -16.223 -30.042 1.00 42.34 H new ATOM 1155 N VAL A 84 3.078 -12.734 -32.611 1.00 1.54 N ATOM 1156 CA VAL A 84 3.580 -12.537 -33.965 1.00 63.22 C ATOM 1157 C VAL A 84 3.270 -11.132 -34.468 1.00 40.20 C ATOM 1158 O VAL A 84 2.172 -10.616 -34.264 1.00 31.35 O ATOM 1159 CB VAL A 84 2.978 -13.565 -34.942 1.00 14.43 C ATOM 1160 CG1 VAL A 84 1.466 -13.412 -35.011 1.00 72.44 C ATOM 1161 CG2 VAL A 84 3.601 -13.417 -36.322 1.00 12.35 C ATOM 0 H VAL A 84 2.148 -12.348 -32.446 1.00 1.54 H new ATOM 0 HA VAL A 84 4.661 -12.674 -33.925 1.00 63.22 H new ATOM 0 HB VAL A 84 3.202 -14.566 -34.574 1.00 14.43 H new ATOM 0 HG11 VAL A 84 1.057 -14.146 -35.706 1.00 72.44 H new ATOM 0 HG12 VAL A 84 1.039 -13.572 -34.021 1.00 72.44 H new ATOM 0 HG13 VAL A 84 1.217 -12.408 -35.356 1.00 72.44 H new ATOM 0 HG21 VAL A 84 3.164 -14.151 -36.999 1.00 12.35 H new ATOM 0 HG22 VAL A 84 3.409 -12.413 -36.702 1.00 12.35 H new ATOM 0 HG23 VAL A 84 4.677 -13.580 -36.255 1.00 12.35 H new ATOM 1171 N GLY A 85 4.246 -10.516 -35.128 1.00 63.23 N ATOM 1172 CA GLY A 85 4.058 -9.176 -35.651 1.00 11.51 C ATOM 1173 C GLY A 85 4.792 -8.955 -36.959 1.00 11.54 C ATOM 1174 O GLY A 85 6.014 -8.809 -36.975 1.00 1.20 O ATOM 0 H GLY A 85 5.164 -10.922 -35.310 1.00 63.23 H new ATOM 0 HA2 GLY A 85 2.994 -8.994 -35.800 1.00 11.51 H new ATOM 0 HA3 GLY A 85 4.406 -8.450 -34.916 1.00 11.51 H new TER 1178 GLY A 85