USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 806 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 3 SER OG : rot 80:sc= 0.675 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.444 USER MOD Single : A 9 LYS NZ :NH3+ 150:sc= -0.192 (180deg=-0.758) USER MOD Single : A 25 THR OG1 : rot 55:sc= 1.22 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -142:sc= 0.435 USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 1.29 (180deg=1.19) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -113:sc= 1.24 (180deg=-0.491) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 39:sc= -0.138 USER MOD Single : B 4 THR OG1 : rot 180:sc= -1.57! USER MOD Single : B 9 LYS NZ :NH3+ 157:sc= 0.844 (180deg=0.601) USER MOD Single : B 25 THR OG1 : rot 72:sc= 1.28 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.26) USER MOD Single : B 46 LYS NZ :NH3+ 171:sc= 1.19 (180deg=1.11) USER MOD Single : B 47 LYS NZ :NH3+ 166:sc= 0.62 (180deg=0.446) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -1.471 -12.511 -2.735 1.00 0.48 N ATOM 43 CA SER A 3 -1.582 -11.287 -3.500 1.00 0.40 C ATOM 44 C SER A 3 -2.472 -11.435 -4.727 1.00 0.40 C ATOM 45 O SER A 3 -3.081 -12.479 -4.965 1.00 0.46 O ATOM 46 CB SER A 3 -0.185 -10.876 -3.940 1.00 0.41 C ATOM 47 OG SER A 3 0.646 -10.663 -2.816 1.00 0.44 O ATOM 0 HA SER A 3 -2.043 -10.532 -2.864 1.00 0.40 H new ATOM 0 HB2 SER A 3 0.245 -11.650 -4.576 1.00 0.41 H new ATOM 0 HB3 SER A 3 -0.239 -9.966 -4.538 1.00 0.41 H new ATOM 0 HG SER A 3 0.962 -11.526 -2.474 1.00 0.44 H new ATOM 53 N THR A 4 -2.517 -10.363 -5.498 1.00 0.37 N ATOM 54 CA THR A 4 -3.238 -10.321 -6.750 1.00 0.37 C ATOM 55 C THR A 4 -4.749 -10.297 -6.523 1.00 0.37 C ATOM 56 O THR A 4 -5.463 -11.265 -6.798 1.00 0.48 O ATOM 57 CB THR A 4 -2.848 -11.493 -7.678 1.00 0.39 C ATOM 58 OG1 THR A 4 -1.418 -11.588 -7.759 1.00 0.35 O ATOM 59 CG2 THR A 4 -3.415 -11.290 -9.072 1.00 0.45 C ATOM 0 H THR A 4 -2.047 -9.488 -5.266 1.00 0.37 H new ATOM 0 HA THR A 4 -2.953 -9.394 -7.247 1.00 0.37 H new ATOM 0 HB THR A 4 -3.260 -12.412 -7.262 1.00 0.39 H new ATOM 0 HG1 THR A 4 -1.172 -12.333 -8.347 1.00 0.35 H new ATOM 0 HG21 THR A 4 -3.127 -12.128 -9.707 1.00 0.45 H new ATOM 0 HG22 THR A 4 -4.502 -11.232 -9.018 1.00 0.45 H new ATOM 0 HG23 THR A 4 -3.023 -10.364 -9.493 1.00 0.45 H new ATOM 67 N GLY A 5 -5.220 -9.195 -5.967 1.00 0.31 N ATOM 68 CA GLY A 5 -6.635 -9.000 -5.808 1.00 0.30 C ATOM 69 C GLY A 5 -7.119 -9.538 -4.491 1.00 0.28 C ATOM 70 O GLY A 5 -8.144 -10.215 -4.421 1.00 0.32 O ATOM 0 H GLY A 5 -4.640 -8.430 -5.622 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -6.867 -7.937 -5.876 1.00 0.30 H new ATOM 0 HA3 GLY A 5 -7.165 -9.495 -6.622 1.00 0.30 H new ATOM 74 N ILE A 6 -6.368 -9.259 -3.443 1.00 0.27 N ATOM 75 CA ILE A 6 -6.778 -9.663 -2.114 1.00 0.28 C ATOM 76 C ILE A 6 -7.212 -8.446 -1.312 1.00 0.27 C ATOM 77 O ILE A 6 -6.575 -7.397 -1.361 1.00 0.40 O ATOM 78 CB ILE A 6 -5.678 -10.432 -1.349 1.00 0.34 C ATOM 79 CG1 ILE A 6 -6.281 -11.055 -0.090 1.00 0.38 C ATOM 80 CG2 ILE A 6 -4.504 -9.527 -0.986 1.00 0.35 C ATOM 81 CD1 ILE A 6 -7.286 -12.145 -0.387 1.00 0.49 C ATOM 0 H ILE A 6 -5.480 -8.759 -3.485 1.00 0.27 H new ATOM 0 HA ILE A 6 -7.616 -10.349 -2.238 1.00 0.28 H new ATOM 0 HB ILE A 6 -5.291 -11.216 -1.999 1.00 0.34 H new ATOM 0 HG12 ILE A 6 -5.479 -11.466 0.524 1.00 0.38 H new ATOM 0 HG13 ILE A 6 -6.764 -10.275 0.498 1.00 0.38 H new ATOM 0 HG21 ILE A 6 -3.752 -10.105 -0.449 1.00 0.35 H new ATOM 0 HG22 ILE A 6 -4.066 -9.117 -1.896 1.00 0.35 H new ATOM 0 HG23 ILE A 6 -4.855 -8.712 -0.353 1.00 0.35 H new ATOM 0 HD11 ILE A 6 -7.676 -12.545 0.549 1.00 0.49 H new ATOM 0 HD12 ILE A 6 -8.106 -11.733 -0.975 1.00 0.49 H new ATOM 0 HD13 ILE A 6 -6.801 -12.943 -0.949 1.00 0.49 H new ATOM 93 N VAL A 7 -8.294 -8.584 -0.580 1.00 0.24 N ATOM 94 CA VAL A 7 -8.856 -7.469 0.147 1.00 0.24 C ATOM 95 C VAL A 7 -8.422 -7.508 1.617 1.00 0.27 C ATOM 96 O VAL A 7 -8.605 -8.515 2.305 1.00 0.34 O ATOM 97 CB VAL A 7 -10.397 -7.459 0.015 1.00 0.30 C ATOM 98 CG1 VAL A 7 -11.021 -8.730 0.585 1.00 0.37 C ATOM 99 CG2 VAL A 7 -10.971 -6.226 0.674 1.00 0.34 C ATOM 0 H VAL A 7 -8.804 -9.461 -0.472 1.00 0.24 H new ATOM 0 HA VAL A 7 -8.476 -6.544 -0.286 1.00 0.24 H new ATOM 0 HB VAL A 7 -10.643 -7.431 -1.046 1.00 0.30 H new ATOM 0 HG11 VAL A 7 -12.104 -8.685 0.474 1.00 0.37 H new ATOM 0 HG12 VAL A 7 -10.637 -9.597 0.047 1.00 0.37 H new ATOM 0 HG13 VAL A 7 -10.768 -8.817 1.642 1.00 0.37 H new ATOM 0 HG21 VAL A 7 -12.056 -6.232 0.574 1.00 0.34 H new ATOM 0 HG22 VAL A 7 -10.704 -6.221 1.731 1.00 0.34 H new ATOM 0 HG23 VAL A 7 -10.567 -5.335 0.193 1.00 0.34 H new ATOM 109 N ARG A 8 -7.813 -6.424 2.084 1.00 0.26 N ATOM 110 CA ARG A 8 -7.321 -6.349 3.455 1.00 0.32 C ATOM 111 C ARG A 8 -7.817 -5.091 4.152 1.00 0.27 C ATOM 112 O ARG A 8 -8.277 -4.155 3.502 1.00 0.22 O ATOM 113 CB ARG A 8 -5.793 -6.386 3.487 1.00 0.40 C ATOM 114 CG ARG A 8 -5.233 -7.713 3.968 1.00 0.53 C ATOM 115 CD ARG A 8 -5.256 -8.767 2.875 1.00 0.54 C ATOM 116 NE ARG A 8 -4.886 -10.089 3.387 1.00 0.76 N ATOM 117 CZ ARG A 8 -3.642 -10.449 3.728 1.00 1.02 C ATOM 118 NH1 ARG A 8 -2.629 -9.603 3.582 1.00 1.96 N ATOM 119 NH2 ARG A 8 -3.412 -11.659 4.223 1.00 1.11 N ATOM 0 H ARG A 8 -7.648 -5.583 1.532 1.00 0.26 H new ATOM 0 HA ARG A 8 -7.709 -7.217 3.988 1.00 0.32 H new ATOM 0 HB2 ARG A 8 -5.411 -6.179 2.487 1.00 0.40 H new ATOM 0 HB3 ARG A 8 -5.431 -5.590 4.138 1.00 0.40 H new ATOM 0 HG2 ARG A 8 -4.209 -7.571 4.314 1.00 0.53 H new ATOM 0 HG3 ARG A 8 -5.812 -8.063 4.822 1.00 0.53 H new ATOM 0 HD2 ARG A 8 -6.252 -8.813 2.435 1.00 0.54 H new ATOM 0 HD3 ARG A 8 -4.569 -8.480 2.079 1.00 0.54 H new ATOM 0 HE ARG A 8 -5.627 -10.783 3.491 1.00 0.76 H new ATOM 0 HH11 ARG A 8 -2.795 -8.669 3.207 1.00 1.96 H new ATOM 0 HH12 ARG A 8 -1.685 -9.887 3.845 1.00 1.96 H new ATOM 0 HH21 ARG A 8 -4.183 -12.316 4.344 1.00 1.11 H new ATOM 0 HH22 ARG A 8 -2.464 -11.932 4.482 1.00 1.11 H new ATOM 133 N LYS A 9 -7.714 -5.082 5.476 1.00 0.31 N ATOM 134 CA LYS A 9 -8.119 -3.935 6.285 1.00 0.27 C ATOM 135 C LYS A 9 -7.031 -2.871 6.290 1.00 0.23 C ATOM 136 O LYS A 9 -5.879 -3.149 5.942 1.00 0.26 O ATOM 137 CB LYS A 9 -8.395 -4.363 7.730 1.00 0.30 C ATOM 138 CG LYS A 9 -9.639 -5.221 7.920 1.00 1.16 C ATOM 139 CD LYS A 9 -10.919 -4.423 7.711 1.00 0.84 C ATOM 140 CE LYS A 9 -11.452 -4.566 6.296 1.00 0.59 C ATOM 141 NZ LYS A 9 -11.797 -5.977 5.972 1.00 0.73 N ATOM 0 H LYS A 9 -7.349 -5.865 6.018 1.00 0.31 H new ATOM 0 HA LYS A 9 -9.029 -3.526 5.845 1.00 0.27 H new ATOM 0 HB2 LYS A 9 -7.531 -4.915 8.101 1.00 0.30 H new ATOM 0 HB3 LYS A 9 -8.491 -3.469 8.346 1.00 0.30 H new ATOM 0 HG2 LYS A 9 -9.614 -6.056 7.220 1.00 1.16 H new ATOM 0 HG3 LYS A 9 -9.636 -5.646 8.924 1.00 1.16 H new ATOM 0 HD2 LYS A 9 -11.676 -4.759 8.420 1.00 0.84 H new ATOM 0 HD3 LYS A 9 -10.729 -3.371 7.923 1.00 0.84 H new ATOM 0 HE2 LYS A 9 -12.336 -3.940 6.176 1.00 0.59 H new ATOM 0 HE3 LYS A 9 -10.706 -4.203 5.589 1.00 0.59 H new ATOM 0 HZ1 LYS A 9 -12.575 -5.995 5.282 1.00 0.73 H new ATOM 0 HZ2 LYS A 9 -10.966 -6.454 5.568 1.00 0.73 H new ATOM 0 HZ3 LYS A 9 -12.091 -6.470 6.839 1.00 0.73 H new ATOM 155 N VAL A 10 -7.398 -1.657 6.683 1.00 0.20 N ATOM 156 CA VAL A 10 -6.435 -0.580 6.800 1.00 0.21 C ATOM 157 C VAL A 10 -5.781 -0.610 8.188 1.00 0.24 C ATOM 158 O VAL A 10 -5.028 -1.533 8.515 1.00 0.44 O ATOM 159 CB VAL A 10 -7.084 0.808 6.568 1.00 0.20 C ATOM 160 CG1 VAL A 10 -6.038 1.840 6.170 1.00 0.22 C ATOM 161 CG2 VAL A 10 -8.201 0.741 5.533 1.00 0.20 C ATOM 0 H VAL A 10 -8.355 -1.399 6.925 1.00 0.20 H new ATOM 0 HA VAL A 10 -5.682 -0.733 6.027 1.00 0.21 H new ATOM 0 HB VAL A 10 -7.530 1.121 7.512 1.00 0.20 H new ATOM 0 HG11 VAL A 10 -6.520 2.805 6.013 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.295 1.930 6.963 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -5.548 1.525 5.248 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -8.632 1.733 5.398 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -7.797 0.388 4.584 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -8.974 0.054 5.876 1.00 0.20 H new ATOM 171 N ASP A 11 -6.120 0.380 9.011 1.00 0.24 N ATOM 172 CA ASP A 11 -5.553 0.539 10.350 1.00 0.23 C ATOM 173 C ASP A 11 -6.145 1.777 10.994 1.00 0.24 C ATOM 174 O ASP A 11 -6.911 1.696 11.949 1.00 0.24 O ATOM 175 CB ASP A 11 -4.026 0.675 10.287 1.00 0.40 C ATOM 176 CG ASP A 11 -3.388 0.923 11.642 1.00 0.61 C ATOM 177 OD1 ASP A 11 -3.803 0.280 12.630 1.00 1.15 O ATOM 178 OD2 ASP A 11 -2.454 1.751 11.713 1.00 1.32 O ATOM 0 H ASP A 11 -6.800 1.100 8.767 1.00 0.24 H new ATOM 0 HA ASP A 11 -5.794 -0.345 10.940 1.00 0.23 H new ATOM 0 HB2 ASP A 11 -3.605 -0.233 9.856 1.00 0.40 H new ATOM 0 HB3 ASP A 11 -3.769 1.495 9.617 1.00 0.40 H new ATOM 183 N GLU A 12 -5.793 2.923 10.429 1.00 0.30 N ATOM 184 CA GLU A 12 -6.341 4.207 10.842 1.00 0.33 C ATOM 185 C GLU A 12 -5.977 5.281 9.836 1.00 0.31 C ATOM 186 O GLU A 12 -6.731 5.571 8.908 1.00 0.35 O ATOM 187 CB GLU A 12 -5.841 4.633 12.232 1.00 0.39 C ATOM 188 CG GLU A 12 -4.463 4.111 12.598 1.00 0.43 C ATOM 189 CD GLU A 12 -4.026 4.558 13.976 1.00 0.56 C ATOM 190 OE1 GLU A 12 -4.353 3.861 14.960 1.00 1.08 O ATOM 191 OE2 GLU A 12 -3.375 5.618 14.082 1.00 1.39 O ATOM 0 H GLU A 12 -5.117 2.989 9.668 1.00 0.30 H new ATOM 0 HA GLU A 12 -7.423 4.088 10.892 1.00 0.33 H new ATOM 0 HB2 GLU A 12 -5.827 5.722 12.280 1.00 0.39 H new ATOM 0 HB3 GLU A 12 -6.555 4.290 12.981 1.00 0.39 H new ATOM 0 HG2 GLU A 12 -4.467 3.022 12.556 1.00 0.43 H new ATOM 0 HG3 GLU A 12 -3.739 4.456 11.860 1.00 0.43 H new ATOM 198 N LEU A 13 -4.782 5.813 10.010 1.00 0.31 N ATOM 199 CA LEU A 13 -4.325 6.971 9.268 1.00 0.32 C ATOM 200 C LEU A 13 -3.828 6.605 7.867 1.00 0.35 C ATOM 201 O LEU A 13 -3.427 7.483 7.104 1.00 0.60 O ATOM 202 CB LEU A 13 -3.225 7.681 10.066 1.00 0.37 C ATOM 203 CG LEU A 13 -1.819 7.067 9.980 1.00 0.43 C ATOM 204 CD1 LEU A 13 -0.797 8.009 10.596 1.00 0.54 C ATOM 205 CD2 LEU A 13 -1.762 5.712 10.674 1.00 0.43 C ATOM 0 H LEU A 13 -4.098 5.451 10.674 1.00 0.31 H new ATOM 0 HA LEU A 13 -5.173 7.642 9.131 1.00 0.32 H new ATOM 0 HB2 LEU A 13 -3.168 8.715 9.726 1.00 0.37 H new ATOM 0 HB3 LEU A 13 -3.524 7.706 11.114 1.00 0.37 H new ATOM 0 HG LEU A 13 -1.583 6.918 8.926 1.00 0.43 H new ATOM 0 HD11 LEU A 13 0.195 7.563 10.529 1.00 0.54 H new ATOM 0 HD12 LEU A 13 -0.806 8.957 10.058 1.00 0.54 H new ATOM 0 HD13 LEU A 13 -1.047 8.183 11.643 1.00 0.54 H new ATOM 0 HD21 LEU A 13 -0.754 5.305 10.595 1.00 0.43 H new ATOM 0 HD22 LEU A 13 -2.024 5.830 11.725 1.00 0.43 H new ATOM 0 HD23 LEU A 13 -2.467 5.030 10.199 1.00 0.43 H new ATOM 217 N GLY A 14 -3.863 5.319 7.523 1.00 0.20 N ATOM 218 CA GLY A 14 -3.449 4.918 6.189 1.00 0.24 C ATOM 219 C GLY A 14 -2.735 3.587 6.142 1.00 0.22 C ATOM 220 O GLY A 14 -2.709 2.950 5.100 1.00 0.34 O ATOM 0 H GLY A 14 -4.165 4.559 8.133 1.00 0.20 H new ATOM 0 HA2 GLY A 14 -4.328 4.870 5.546 1.00 0.24 H new ATOM 0 HA3 GLY A 14 -2.794 5.685 5.777 1.00 0.24 H new ATOM 224 N ARG A 15 -2.158 3.163 7.259 1.00 0.15 N ATOM 225 CA ARG A 15 -1.338 1.952 7.269 1.00 0.17 C ATOM 226 C ARG A 15 -2.108 0.723 6.798 1.00 0.16 C ATOM 227 O ARG A 15 -2.956 0.203 7.511 1.00 0.18 O ATOM 228 CB ARG A 15 -0.763 1.694 8.657 1.00 0.20 C ATOM 229 CG ARG A 15 0.744 1.645 8.656 1.00 0.23 C ATOM 230 CD ARG A 15 1.305 1.614 10.062 1.00 0.29 C ATOM 231 NE ARG A 15 2.750 1.819 10.067 1.00 0.59 N ATOM 232 CZ ARG A 15 3.384 2.606 10.930 1.00 0.78 C ATOM 233 NH1 ARG A 15 2.713 3.206 11.905 1.00 0.82 N ATOM 234 NH2 ARG A 15 4.692 2.790 10.821 1.00 1.26 N ATOM 0 H ARG A 15 -2.239 3.631 8.162 1.00 0.15 H new ATOM 0 HA ARG A 15 -0.524 2.126 6.566 1.00 0.17 H new ATOM 0 HB2 ARG A 15 -1.098 2.477 9.337 1.00 0.20 H new ATOM 0 HB3 ARG A 15 -1.154 0.751 9.040 1.00 0.20 H new ATOM 0 HG2 ARG A 15 1.079 0.762 8.111 1.00 0.23 H new ATOM 0 HG3 ARG A 15 1.136 2.514 8.127 1.00 0.23 H new ATOM 0 HD2 ARG A 15 0.825 2.386 10.663 1.00 0.29 H new ATOM 0 HD3 ARG A 15 1.071 0.656 10.527 1.00 0.29 H new ATOM 0 HE ARG A 15 3.306 1.329 9.366 1.00 0.59 H new ATOM 0 HH11 ARG A 15 1.707 3.064 11.994 1.00 0.82 H new ATOM 0 HH12 ARG A 15 3.203 3.809 12.565 1.00 0.82 H new ATOM 0 HH21 ARG A 15 5.212 2.328 10.075 1.00 1.26 H new ATOM 0 HH22 ARG A 15 5.179 3.394 11.483 1.00 1.26 H new ATOM 248 N VAL A 16 -1.803 0.265 5.593 1.00 0.16 N ATOM 249 CA VAL A 16 -2.419 -0.941 5.059 1.00 0.16 C ATOM 250 C VAL A 16 -1.483 -2.129 5.257 1.00 0.16 C ATOM 251 O VAL A 16 -0.264 -1.999 5.106 1.00 0.15 O ATOM 252 CB VAL A 16 -2.768 -0.795 3.557 1.00 0.17 C ATOM 253 CG1 VAL A 16 -1.514 -0.642 2.710 1.00 1.04 C ATOM 254 CG2 VAL A 16 -3.599 -1.980 3.086 1.00 0.97 C ATOM 0 H VAL A 16 -1.133 0.710 4.966 1.00 0.16 H new ATOM 0 HA VAL A 16 -3.350 -1.106 5.602 1.00 0.16 H new ATOM 0 HB VAL A 16 -3.360 0.112 3.436 1.00 0.17 H new ATOM 0 HG11 VAL A 16 -1.793 -0.542 1.661 1.00 1.04 H new ATOM 0 HG12 VAL A 16 -0.967 0.246 3.026 1.00 1.04 H new ATOM 0 HG13 VAL A 16 -0.881 -1.521 2.835 1.00 1.04 H new ATOM 0 HG21 VAL A 16 -3.835 -1.861 2.029 1.00 0.97 H new ATOM 0 HG22 VAL A 16 -3.034 -2.901 3.230 1.00 0.97 H new ATOM 0 HG23 VAL A 16 -4.524 -2.028 3.661 1.00 0.97 H new ATOM 264 N VAL A 17 -2.045 -3.276 5.615 1.00 0.17 N ATOM 265 CA VAL A 17 -1.246 -4.465 5.871 1.00 0.18 C ATOM 266 C VAL A 17 -0.851 -5.144 4.567 1.00 0.19 C ATOM 267 O VAL A 17 -1.663 -5.831 3.941 1.00 0.25 O ATOM 268 CB VAL A 17 -2.007 -5.486 6.742 1.00 0.21 C ATOM 269 CG1 VAL A 17 -1.115 -6.666 7.094 1.00 0.23 C ATOM 270 CG2 VAL A 17 -2.551 -4.832 7.999 1.00 0.22 C ATOM 0 H VAL A 17 -3.049 -3.407 5.734 1.00 0.17 H new ATOM 0 HA VAL A 17 -0.355 -4.134 6.404 1.00 0.18 H new ATOM 0 HB VAL A 17 -2.852 -5.857 6.162 1.00 0.21 H new ATOM 0 HG11 VAL A 17 -1.672 -7.373 7.708 1.00 0.23 H new ATOM 0 HG12 VAL A 17 -0.787 -7.160 6.179 1.00 0.23 H new ATOM 0 HG13 VAL A 17 -0.245 -6.312 7.647 1.00 0.23 H new ATOM 0 HG21 VAL A 17 -3.083 -5.574 8.594 1.00 0.22 H new ATOM 0 HG22 VAL A 17 -1.726 -4.422 8.582 1.00 0.22 H new ATOM 0 HG23 VAL A 17 -3.235 -4.029 7.724 1.00 0.22 H new ATOM 280 N ILE A 18 0.385 -4.934 4.148 1.00 0.17 N ATOM 281 CA ILE A 18 0.908 -5.607 2.970 1.00 0.21 C ATOM 282 C ILE A 18 1.358 -7.019 3.325 1.00 0.17 C ATOM 283 O ILE A 18 1.987 -7.227 4.364 1.00 0.18 O ATOM 284 CB ILE A 18 2.094 -4.830 2.356 1.00 0.30 C ATOM 285 CG1 ILE A 18 1.688 -3.381 2.094 1.00 0.36 C ATOM 286 CG2 ILE A 18 2.583 -5.494 1.077 1.00 0.39 C ATOM 287 CD1 ILE A 18 2.675 -2.619 1.244 1.00 0.62 C ATOM 0 H ILE A 18 1.045 -4.304 4.605 1.00 0.17 H new ATOM 0 HA ILE A 18 0.106 -5.652 2.233 1.00 0.21 H new ATOM 0 HB ILE A 18 2.919 -4.841 3.068 1.00 0.30 H new ATOM 0 HG12 ILE A 18 0.714 -3.369 1.604 1.00 0.36 H new ATOM 0 HG13 ILE A 18 1.571 -2.867 3.048 1.00 0.36 H new ATOM 0 HG21 ILE A 18 3.418 -4.925 0.668 1.00 0.39 H new ATOM 0 HG22 ILE A 18 2.910 -6.510 1.297 1.00 0.39 H new ATOM 0 HG23 ILE A 18 1.772 -5.523 0.349 1.00 0.39 H new ATOM 0 HD11 ILE A 18 2.320 -1.599 1.101 1.00 0.62 H new ATOM 0 HD12 ILE A 18 3.645 -2.599 1.742 1.00 0.62 H new ATOM 0 HD13 ILE A 18 2.774 -3.108 0.275 1.00 0.62 H new ATOM 299 N PRO A 19 0.997 -8.007 2.483 1.00 0.22 N ATOM 300 CA PRO A 19 1.422 -9.398 2.641 1.00 0.24 C ATOM 301 C PRO A 19 2.893 -9.550 3.015 1.00 0.23 C ATOM 302 O PRO A 19 3.768 -8.889 2.446 1.00 0.20 O ATOM 303 CB PRO A 19 1.191 -9.974 1.258 1.00 0.28 C ATOM 304 CG PRO A 19 0.003 -9.240 0.754 1.00 0.31 C ATOM 305 CD PRO A 19 0.116 -7.844 1.308 1.00 0.29 C ATOM 0 HA PRO A 19 0.879 -9.889 3.449 1.00 0.24 H new ATOM 0 HB2 PRO A 19 2.057 -9.822 0.613 1.00 0.28 H new ATOM 0 HB3 PRO A 19 1.008 -11.048 1.299 1.00 0.28 H new ATOM 0 HG2 PRO A 19 -0.015 -9.228 -0.336 1.00 0.31 H new ATOM 0 HG3 PRO A 19 -0.920 -9.717 1.083 1.00 0.31 H new ATOM 0 HD2 PRO A 19 0.544 -7.156 0.578 1.00 0.29 H new ATOM 0 HD3 PRO A 19 -0.858 -7.444 1.590 1.00 0.29 H new ATOM 313 N ILE A 20 3.153 -10.431 3.968 1.00 0.28 N ATOM 314 CA ILE A 20 4.517 -10.760 4.358 1.00 0.30 C ATOM 315 C ILE A 20 5.288 -11.305 3.154 1.00 0.29 C ATOM 316 O ILE A 20 6.491 -11.099 3.029 1.00 0.28 O ATOM 317 CB ILE A 20 4.547 -11.772 5.527 1.00 0.37 C ATOM 318 CG1 ILE A 20 5.982 -12.017 6.002 1.00 0.43 C ATOM 319 CG2 ILE A 20 3.887 -13.083 5.122 1.00 0.41 C ATOM 320 CD1 ILE A 20 6.077 -12.918 7.216 1.00 0.86 C ATOM 0 H ILE A 20 2.434 -10.934 4.489 1.00 0.28 H new ATOM 0 HA ILE A 20 4.998 -9.846 4.706 1.00 0.30 H new ATOM 0 HB ILE A 20 3.983 -11.345 6.356 1.00 0.37 H new ATOM 0 HG12 ILE A 20 6.554 -12.459 5.187 1.00 0.43 H new ATOM 0 HG13 ILE A 20 6.447 -11.059 6.235 1.00 0.43 H new ATOM 0 HG21 ILE A 20 3.919 -13.780 5.959 1.00 0.41 H new ATOM 0 HG22 ILE A 20 2.850 -12.897 4.844 1.00 0.41 H new ATOM 0 HG23 ILE A 20 4.419 -13.511 4.273 1.00 0.41 H new ATOM 0 HD11 ILE A 20 7.123 -13.045 7.494 1.00 0.86 H new ATOM 0 HD12 ILE A 20 5.533 -12.468 8.047 1.00 0.86 H new ATOM 0 HD13 ILE A 20 5.643 -13.890 6.982 1.00 0.86 H new ATOM 332 N GLU A 21 4.562 -11.940 2.237 1.00 0.32 N ATOM 333 CA GLU A 21 5.144 -12.472 1.009 1.00 0.33 C ATOM 334 C GLU A 21 5.579 -11.329 0.099 1.00 0.29 C ATOM 335 O GLU A 21 6.533 -11.451 -0.669 1.00 0.29 O ATOM 336 CB GLU A 21 4.109 -13.333 0.280 1.00 0.39 C ATOM 337 CG GLU A 21 2.941 -12.518 -0.259 1.00 0.50 C ATOM 338 CD GLU A 21 1.807 -13.364 -0.796 1.00 0.99 C ATOM 339 OE1 GLU A 21 1.245 -14.167 -0.021 1.00 1.73 O ATOM 340 OE2 GLU A 21 1.450 -13.197 -1.985 1.00 1.49 O ATOM 0 H GLU A 21 3.558 -12.099 2.324 1.00 0.32 H new ATOM 0 HA GLU A 21 6.013 -13.079 1.264 1.00 0.33 H new ATOM 0 HB2 GLU A 21 4.593 -13.856 -0.545 1.00 0.39 H new ATOM 0 HB3 GLU A 21 3.731 -14.095 0.962 1.00 0.39 H new ATOM 0 HG2 GLU A 21 2.560 -11.876 0.535 1.00 0.50 H new ATOM 0 HG3 GLU A 21 3.301 -11.863 -1.052 1.00 0.50 H new ATOM 347 N LEU A 22 4.911 -10.192 0.234 1.00 0.26 N ATOM 348 CA LEU A 22 5.151 -9.079 -0.655 1.00 0.24 C ATOM 349 C LEU A 22 6.354 -8.299 -0.180 1.00 0.21 C ATOM 350 O LEU A 22 7.269 -8.023 -0.953 1.00 0.22 O ATOM 351 CB LEU A 22 3.924 -8.178 -0.757 1.00 0.24 C ATOM 352 CG LEU A 22 2.829 -8.683 -1.695 1.00 0.31 C ATOM 353 CD1 LEU A 22 1.900 -7.546 -2.091 1.00 0.31 C ATOM 354 CD2 LEU A 22 3.437 -9.346 -2.923 1.00 0.44 C ATOM 0 H LEU A 22 4.203 -10.022 0.949 1.00 0.26 H new ATOM 0 HA LEU A 22 5.352 -9.468 -1.653 1.00 0.24 H new ATOM 0 HB2 LEU A 22 3.499 -8.053 0.239 1.00 0.24 H new ATOM 0 HB3 LEU A 22 4.243 -7.191 -1.093 1.00 0.24 H new ATOM 0 HG LEU A 22 2.240 -9.432 -1.167 1.00 0.31 H new ATOM 0 HD11 LEU A 22 1.126 -7.924 -2.759 1.00 0.31 H new ATOM 0 HD12 LEU A 22 1.436 -7.128 -1.198 1.00 0.31 H new ATOM 0 HD13 LEU A 22 2.471 -6.770 -2.600 1.00 0.31 H new ATOM 0 HD21 LEU A 22 2.640 -9.699 -3.578 1.00 0.44 H new ATOM 0 HD22 LEU A 22 4.054 -8.624 -3.458 1.00 0.44 H new ATOM 0 HD23 LEU A 22 4.053 -10.191 -2.613 1.00 0.44 H new ATOM 366 N ARG A 23 6.394 -8.007 1.115 1.00 0.20 N ATOM 367 CA ARG A 23 7.532 -7.302 1.671 1.00 0.19 C ATOM 368 C ARG A 23 8.761 -8.198 1.560 1.00 0.19 C ATOM 369 O ARG A 23 9.878 -7.719 1.401 1.00 0.20 O ATOM 370 CB ARG A 23 7.287 -6.896 3.130 1.00 0.22 C ATOM 371 CG ARG A 23 6.936 -8.044 4.060 1.00 0.32 C ATOM 372 CD ARG A 23 7.586 -7.844 5.419 1.00 0.63 C ATOM 373 NE ARG A 23 6.952 -8.626 6.476 1.00 0.95 N ATOM 374 CZ ARG A 23 7.612 -9.173 7.497 1.00 1.24 C ATOM 375 NH1 ARG A 23 8.944 -9.191 7.502 1.00 1.52 N ATOM 376 NH2 ARG A 23 6.938 -9.739 8.492 1.00 1.92 N ATOM 0 H ARG A 23 5.663 -8.244 1.786 1.00 0.20 H new ATOM 0 HA ARG A 23 7.690 -6.382 1.109 1.00 0.19 H new ATOM 0 HB2 ARG A 23 8.180 -6.400 3.509 1.00 0.22 H new ATOM 0 HB3 ARG A 23 6.480 -6.164 3.158 1.00 0.22 H new ATOM 0 HG2 ARG A 23 5.854 -8.110 4.174 1.00 0.32 H new ATOM 0 HG3 ARG A 23 7.269 -8.987 3.626 1.00 0.32 H new ATOM 0 HD2 ARG A 23 8.639 -8.117 5.355 1.00 0.63 H new ATOM 0 HD3 ARG A 23 7.546 -6.787 5.683 1.00 0.63 H new ATOM 0 HE ARG A 23 5.942 -8.762 6.431 1.00 0.95 H new ATOM 0 HH11 ARG A 23 9.462 -8.785 6.723 1.00 1.52 H new ATOM 0 HH12 ARG A 23 9.445 -9.610 8.285 1.00 1.52 H new ATOM 0 HH21 ARG A 23 5.918 -9.754 8.473 1.00 1.92 H new ATOM 0 HH22 ARG A 23 7.440 -10.158 9.275 1.00 1.92 H new ATOM 390 N ARG A 24 8.526 -9.510 1.626 1.00 0.21 N ATOM 391 CA ARG A 24 9.555 -10.511 1.384 1.00 0.23 C ATOM 392 C ARG A 24 10.081 -10.414 -0.043 1.00 0.23 C ATOM 393 O ARG A 24 11.288 -10.492 -0.278 1.00 0.23 O ATOM 394 CB ARG A 24 8.981 -11.899 1.635 1.00 0.29 C ATOM 395 CG ARG A 24 9.935 -13.025 1.305 1.00 0.38 C ATOM 396 CD ARG A 24 9.235 -14.371 1.350 1.00 0.90 C ATOM 397 NE ARG A 24 10.115 -15.450 0.916 1.00 1.56 N ATOM 398 CZ ARG A 24 9.707 -16.683 0.629 1.00 2.17 C ATOM 399 NH1 ARG A 24 8.429 -17.021 0.761 1.00 2.19 N ATOM 400 NH2 ARG A 24 10.587 -17.593 0.233 1.00 2.94 N ATOM 0 H ARG A 24 7.612 -9.905 1.850 1.00 0.21 H new ATOM 0 HA ARG A 24 10.386 -10.331 2.065 1.00 0.23 H new ATOM 0 HB2 ARG A 24 8.690 -11.977 2.683 1.00 0.29 H new ATOM 0 HB3 ARG A 24 8.074 -12.019 1.043 1.00 0.29 H new ATOM 0 HG2 ARG A 24 10.359 -12.866 0.314 1.00 0.38 H new ATOM 0 HG3 ARG A 24 10.765 -13.020 2.012 1.00 0.38 H new ATOM 0 HD2 ARG A 24 8.890 -14.568 2.365 1.00 0.90 H new ATOM 0 HD3 ARG A 24 8.351 -14.343 0.713 1.00 0.90 H new ATOM 0 HE ARG A 24 11.110 -15.245 0.827 1.00 1.56 H new ATOM 0 HH11 ARG A 24 7.750 -16.332 1.085 1.00 2.19 H new ATOM 0 HH12 ARG A 24 8.127 -17.969 0.538 1.00 2.19 H new ATOM 0 HH21 ARG A 24 11.573 -17.346 0.149 1.00 2.94 H new ATOM 0 HH22 ARG A 24 10.278 -18.539 0.012 1.00 2.94 H new ATOM 414 N THR A 25 9.171 -10.223 -0.992 1.00 0.24 N ATOM 415 CA THR A 25 9.535 -10.057 -2.396 1.00 0.26 C ATOM 416 C THR A 25 10.427 -8.833 -2.590 1.00 0.23 C ATOM 417 O THR A 25 11.350 -8.837 -3.409 1.00 0.24 O ATOM 418 CB THR A 25 8.270 -9.895 -3.263 1.00 0.29 C ATOM 419 OG1 THR A 25 7.436 -11.054 -3.129 1.00 0.34 O ATOM 420 CG2 THR A 25 8.626 -9.689 -4.725 1.00 0.33 C ATOM 0 H THR A 25 8.168 -10.179 -0.813 1.00 0.24 H new ATOM 0 HA THR A 25 10.081 -10.949 -2.703 1.00 0.26 H new ATOM 0 HB THR A 25 7.733 -9.013 -2.915 1.00 0.29 H new ATOM 0 HG1 THR A 25 7.246 -11.212 -2.181 1.00 0.34 H new ATOM 0 HG21 THR A 25 7.713 -9.578 -5.310 1.00 0.33 H new ATOM 0 HG22 THR A 25 9.234 -8.790 -4.828 1.00 0.33 H new ATOM 0 HG23 THR A 25 9.187 -10.550 -5.088 1.00 0.33 H new ATOM 428 N LEU A 26 10.160 -7.796 -1.812 1.00 0.20 N ATOM 429 CA LEU A 26 10.886 -6.542 -1.939 1.00 0.20 C ATOM 430 C LEU A 26 12.103 -6.560 -1.030 1.00 0.20 C ATOM 431 O LEU A 26 12.967 -5.685 -1.106 1.00 0.22 O ATOM 432 CB LEU A 26 9.991 -5.366 -1.551 1.00 0.20 C ATOM 433 CG LEU A 26 8.496 -5.586 -1.772 1.00 0.21 C ATOM 434 CD1 LEU A 26 7.701 -4.403 -1.260 1.00 0.22 C ATOM 435 CD2 LEU A 26 8.186 -5.861 -3.241 1.00 0.26 C ATOM 0 H LEU A 26 9.445 -7.798 -1.085 1.00 0.20 H new ATOM 0 HA LEU A 26 11.199 -6.427 -2.977 1.00 0.20 H new ATOM 0 HB2 LEU A 26 10.156 -5.136 -0.498 1.00 0.20 H new ATOM 0 HB3 LEU A 26 10.301 -4.490 -2.121 1.00 0.20 H new ATOM 0 HG LEU A 26 8.199 -6.468 -1.204 1.00 0.21 H new ATOM 0 HD11 LEU A 26 6.638 -4.579 -1.427 1.00 0.22 H new ATOM 0 HD12 LEU A 26 7.885 -4.275 -0.193 1.00 0.22 H new ATOM 0 HD13 LEU A 26 8.007 -3.502 -1.791 1.00 0.22 H new ATOM 0 HD21 LEU A 26 7.114 -6.013 -3.364 1.00 0.26 H new ATOM 0 HD22 LEU A 26 8.504 -5.011 -3.845 1.00 0.26 H new ATOM 0 HD23 LEU A 26 8.719 -6.755 -3.564 1.00 0.26 H new ATOM 447 N GLY A 27 12.158 -7.575 -0.179 1.00 0.20 N ATOM 448 CA GLY A 27 13.188 -7.654 0.834 1.00 0.23 C ATOM 449 C GLY A 27 13.147 -6.474 1.781 1.00 0.24 C ATOM 450 O GLY A 27 14.186 -5.993 2.229 1.00 0.28 O ATOM 0 H GLY A 27 11.499 -8.353 -0.174 1.00 0.20 H new ATOM 0 HA2 GLY A 27 13.068 -8.577 1.401 1.00 0.23 H new ATOM 0 HA3 GLY A 27 14.165 -7.699 0.354 1.00 0.23 H new ATOM 454 N ILE A 28 11.948 -5.990 2.067 1.00 0.24 N ATOM 455 CA ILE A 28 11.780 -4.889 2.995 1.00 0.25 C ATOM 456 C ILE A 28 11.011 -5.326 4.227 1.00 0.22 C ATOM 457 O ILE A 28 10.381 -6.386 4.242 1.00 0.22 O ATOM 458 CB ILE A 28 11.024 -3.701 2.381 1.00 0.31 C ATOM 459 CG1 ILE A 28 9.590 -4.104 2.041 1.00 0.32 C ATOM 460 CG2 ILE A 28 11.751 -3.183 1.148 1.00 0.37 C ATOM 461 CD1 ILE A 28 8.642 -2.928 2.003 1.00 0.43 C ATOM 0 H ILE A 28 11.079 -6.344 1.668 1.00 0.24 H new ATOM 0 HA ILE A 28 12.791 -4.575 3.255 1.00 0.25 H new ATOM 0 HB ILE A 28 10.988 -2.895 3.113 1.00 0.31 H new ATOM 0 HG12 ILE A 28 9.579 -4.605 1.073 1.00 0.32 H new ATOM 0 HG13 ILE A 28 9.236 -4.826 2.777 1.00 0.32 H new ATOM 0 HG21 ILE A 28 11.200 -2.342 0.727 1.00 0.37 H new ATOM 0 HG22 ILE A 28 12.753 -2.858 1.427 1.00 0.37 H new ATOM 0 HG23 ILE A 28 11.821 -3.978 0.406 1.00 0.37 H new ATOM 0 HD11 ILE A 28 7.639 -3.277 1.757 1.00 0.43 H new ATOM 0 HD12 ILE A 28 8.627 -2.441 2.978 1.00 0.43 H new ATOM 0 HD13 ILE A 28 8.975 -2.217 1.247 1.00 0.43 H new ATOM 473 N ALA A 29 11.061 -4.484 5.242 1.00 0.22 N ATOM 474 CA ALA A 29 10.307 -4.675 6.468 1.00 0.23 C ATOM 475 C ALA A 29 10.514 -3.492 7.378 1.00 0.23 C ATOM 476 O ALA A 29 11.523 -2.805 7.278 1.00 0.26 O ATOM 477 CB ALA A 29 10.716 -5.959 7.178 1.00 0.25 C ATOM 0 H ALA A 29 11.632 -3.639 5.239 1.00 0.22 H new ATOM 0 HA ALA A 29 9.251 -4.759 6.210 1.00 0.23 H new ATOM 0 HB1 ALA A 29 10.132 -6.071 8.092 1.00 0.25 H new ATOM 0 HB2 ALA A 29 10.533 -6.811 6.523 1.00 0.25 H new ATOM 0 HB3 ALA A 29 11.776 -5.915 7.428 1.00 0.25 H new ATOM 483 N GLU A 30 9.535 -3.270 8.250 1.00 0.25 N ATOM 484 CA GLU A 30 9.591 -2.271 9.309 1.00 0.28 C ATOM 485 C GLU A 30 10.284 -0.951 8.933 1.00 0.30 C ATOM 486 O GLU A 30 9.636 -0.009 8.478 1.00 0.32 O ATOM 487 CB GLU A 30 10.234 -2.877 10.559 1.00 0.32 C ATOM 488 CG GLU A 30 11.418 -3.796 10.281 1.00 0.35 C ATOM 489 CD GLU A 30 12.129 -4.228 11.543 1.00 0.49 C ATOM 490 OE1 GLU A 30 12.750 -3.367 12.201 1.00 1.10 O ATOM 491 OE2 GLU A 30 12.086 -5.429 11.877 1.00 1.22 O ATOM 0 H GLU A 30 8.660 -3.794 8.238 1.00 0.25 H new ATOM 0 HA GLU A 30 8.555 -1.993 9.502 1.00 0.28 H new ATOM 0 HB2 GLU A 30 10.564 -2.068 11.211 1.00 0.32 H new ATOM 0 HB3 GLU A 30 9.476 -3.438 11.106 1.00 0.32 H new ATOM 0 HG2 GLU A 30 11.070 -4.679 9.745 1.00 0.35 H new ATOM 0 HG3 GLU A 30 12.125 -3.284 9.628 1.00 0.35 H new ATOM 498 N LYS A 31 11.593 -0.894 9.148 1.00 0.32 N ATOM 499 CA LYS A 31 12.372 0.325 8.968 1.00 0.38 C ATOM 500 C LYS A 31 12.638 0.646 7.500 1.00 0.35 C ATOM 501 O LYS A 31 13.252 1.668 7.193 1.00 0.40 O ATOM 502 CB LYS A 31 13.702 0.198 9.694 1.00 0.47 C ATOM 503 CG LYS A 31 13.575 -0.175 11.159 1.00 0.57 C ATOM 504 CD LYS A 31 12.856 0.909 11.933 1.00 0.67 C ATOM 505 CE LYS A 31 11.419 0.527 12.224 1.00 0.67 C ATOM 506 NZ LYS A 31 10.756 1.497 13.129 1.00 0.85 N ATOM 0 H LYS A 31 12.146 -1.695 9.453 1.00 0.32 H new ATOM 0 HA LYS A 31 11.780 1.141 9.383 1.00 0.38 H new ATOM 0 HB2 LYS A 31 14.308 -0.554 9.190 1.00 0.47 H new ATOM 0 HB3 LYS A 31 14.238 1.144 9.616 1.00 0.47 H new ATOM 0 HG2 LYS A 31 13.032 -1.115 11.253 1.00 0.57 H new ATOM 0 HG3 LYS A 31 14.566 -0.335 11.585 1.00 0.57 H new ATOM 0 HD2 LYS A 31 13.380 1.096 12.870 1.00 0.67 H new ATOM 0 HD3 LYS A 31 12.878 1.839 11.364 1.00 0.67 H new ATOM 0 HE2 LYS A 31 10.864 0.467 11.288 1.00 0.67 H new ATOM 0 HE3 LYS A 31 11.392 -0.465 12.675 1.00 0.67 H new ATOM 0 HZ1 LYS A 31 9.775 1.197 13.301 1.00 0.85 H new ATOM 0 HZ2 LYS A 31 11.270 1.536 14.032 1.00 0.85 H new ATOM 0 HZ3 LYS A 31 10.757 2.439 12.689 1.00 0.85 H new ATOM 520 N ASP A 32 12.179 -0.203 6.590 1.00 0.27 N ATOM 521 CA ASP A 32 12.468 -0.005 5.177 1.00 0.24 C ATOM 522 C ASP A 32 11.449 0.928 4.558 1.00 0.22 C ATOM 523 O ASP A 32 10.498 1.349 5.217 1.00 0.23 O ATOM 524 CB ASP A 32 12.513 -1.326 4.415 1.00 0.23 C ATOM 525 CG ASP A 32 13.749 -2.145 4.736 1.00 0.55 C ATOM 526 OD1 ASP A 32 14.869 -1.669 4.461 1.00 0.94 O ATOM 527 OD2 ASP A 32 13.608 -3.266 5.266 1.00 1.54 O ATOM 0 H ASP A 32 11.613 -1.025 6.801 1.00 0.27 H new ATOM 0 HA ASP A 32 13.457 0.448 5.104 1.00 0.24 H new ATOM 0 HB2 ASP A 32 11.624 -1.909 4.654 1.00 0.23 H new ATOM 0 HB3 ASP A 32 12.484 -1.124 3.344 1.00 0.23 H new ATOM 532 N ALA A 33 11.669 1.286 3.308 1.00 0.21 N ATOM 533 CA ALA A 33 10.814 2.251 2.651 1.00 0.20 C ATOM 534 C ALA A 33 10.187 1.718 1.372 1.00 0.20 C ATOM 535 O ALA A 33 10.724 0.830 0.708 1.00 0.21 O ATOM 536 CB ALA A 33 11.605 3.506 2.354 1.00 0.23 C ATOM 0 H ALA A 33 12.428 0.925 2.731 1.00 0.21 H new ATOM 0 HA ALA A 33 9.993 2.471 3.334 1.00 0.20 H new ATOM 0 HB1 ALA A 33 10.961 4.233 1.859 1.00 0.23 H new ATOM 0 HB2 ALA A 33 11.980 3.929 3.286 1.00 0.23 H new ATOM 0 HB3 ALA A 33 12.444 3.262 1.703 1.00 0.23 H new ATOM 542 N LEU A 34 9.039 2.285 1.050 1.00 0.20 N ATOM 543 CA LEU A 34 8.343 2.036 -0.189 1.00 0.20 C ATOM 544 C LEU A 34 8.119 3.371 -0.864 1.00 0.20 C ATOM 545 O LEU A 34 8.048 4.405 -0.196 1.00 0.22 O ATOM 546 CB LEU A 34 6.990 1.368 0.080 1.00 0.23 C ATOM 547 CG LEU A 34 7.034 -0.134 0.331 1.00 0.46 C ATOM 548 CD1 LEU A 34 5.775 -0.582 1.052 1.00 1.15 C ATOM 549 CD2 LEU A 34 7.172 -0.879 -0.986 1.00 0.67 C ATOM 0 H LEU A 34 8.558 2.946 1.660 1.00 0.20 H new ATOM 0 HA LEU A 34 8.932 1.371 -0.821 1.00 0.20 H new ATOM 0 HB2 LEU A 34 6.533 1.849 0.945 1.00 0.23 H new ATOM 0 HB3 LEU A 34 6.337 1.557 -0.772 1.00 0.23 H new ATOM 0 HG LEU A 34 7.897 -0.360 0.957 1.00 0.46 H new ATOM 0 HD11 LEU A 34 5.818 -1.657 1.226 1.00 1.15 H new ATOM 0 HD12 LEU A 34 5.699 -0.063 2.007 1.00 1.15 H new ATOM 0 HD13 LEU A 34 4.903 -0.348 0.441 1.00 1.15 H new ATOM 0 HD21 LEU A 34 7.203 -1.952 -0.796 1.00 0.67 H new ATOM 0 HD22 LEU A 34 6.320 -0.648 -1.626 1.00 0.67 H new ATOM 0 HD23 LEU A 34 8.092 -0.572 -1.483 1.00 0.67 H new ATOM 561 N GLU A 35 8.013 3.352 -2.164 1.00 0.19 N ATOM 562 CA GLU A 35 7.788 4.554 -2.924 1.00 0.21 C ATOM 563 C GLU A 35 6.351 4.570 -3.428 1.00 0.20 C ATOM 564 O GLU A 35 5.989 3.829 -4.347 1.00 0.21 O ATOM 565 CB GLU A 35 8.772 4.643 -4.085 1.00 0.25 C ATOM 566 CG GLU A 35 8.962 6.061 -4.573 1.00 0.59 C ATOM 567 CD GLU A 35 10.058 6.193 -5.611 1.00 0.56 C ATOM 568 OE1 GLU A 35 10.021 5.464 -6.626 1.00 1.28 O ATOM 569 OE2 GLU A 35 10.963 7.031 -5.420 1.00 1.19 O ATOM 0 H GLU A 35 8.080 2.504 -2.728 1.00 0.19 H new ATOM 0 HA GLU A 35 7.949 5.422 -2.284 1.00 0.21 H new ATOM 0 HB2 GLU A 35 9.734 4.237 -3.774 1.00 0.25 H new ATOM 0 HB3 GLU A 35 8.416 4.023 -4.908 1.00 0.25 H new ATOM 0 HG2 GLU A 35 8.024 6.422 -4.996 1.00 0.59 H new ATOM 0 HG3 GLU A 35 9.196 6.703 -3.723 1.00 0.59 H new ATOM 576 N ILE A 36 5.538 5.398 -2.799 1.00 0.21 N ATOM 577 CA ILE A 36 4.114 5.443 -3.065 1.00 0.23 C ATOM 578 C ILE A 36 3.793 6.450 -4.170 1.00 0.25 C ATOM 579 O ILE A 36 4.137 7.632 -4.083 1.00 0.27 O ATOM 580 CB ILE A 36 3.318 5.812 -1.783 1.00 0.26 C ATOM 581 CG1 ILE A 36 3.219 4.624 -0.818 1.00 0.25 C ATOM 582 CG2 ILE A 36 1.923 6.322 -2.123 1.00 0.29 C ATOM 583 CD1 ILE A 36 4.544 4.185 -0.245 1.00 0.25 C ATOM 0 H ILE A 36 5.848 6.060 -2.087 1.00 0.21 H new ATOM 0 HA ILE A 36 3.815 4.448 -3.394 1.00 0.23 H new ATOM 0 HB ILE A 36 3.870 6.611 -1.288 1.00 0.26 H new ATOM 0 HG12 ILE A 36 2.551 4.890 0.001 1.00 0.25 H new ATOM 0 HG13 ILE A 36 2.764 3.782 -1.340 1.00 0.25 H new ATOM 0 HG21 ILE A 36 1.393 6.571 -1.204 1.00 0.29 H new ATOM 0 HG22 ILE A 36 2.003 7.211 -2.748 1.00 0.29 H new ATOM 0 HG23 ILE A 36 1.374 5.549 -2.660 1.00 0.29 H new ATOM 0 HD11 ILE A 36 4.388 3.341 0.427 1.00 0.25 H new ATOM 0 HD12 ILE A 36 5.209 3.886 -1.055 1.00 0.25 H new ATOM 0 HD13 ILE A 36 4.993 5.010 0.307 1.00 0.25 H new ATOM 595 N TYR A 37 3.143 5.963 -5.206 1.00 0.25 N ATOM 596 CA TYR A 37 2.671 6.779 -6.304 1.00 0.24 C ATOM 597 C TYR A 37 1.171 6.549 -6.476 1.00 0.19 C ATOM 598 O TYR A 37 0.643 5.535 -6.020 1.00 0.22 O ATOM 599 CB TYR A 37 3.489 6.458 -7.575 1.00 0.31 C ATOM 600 CG TYR A 37 2.732 6.470 -8.891 1.00 1.10 C ATOM 601 CD1 TYR A 37 2.614 7.632 -9.643 1.00 2.03 C ATOM 602 CD2 TYR A 37 2.160 5.308 -9.392 1.00 1.91 C ATOM 603 CE1 TYR A 37 1.942 7.634 -10.853 1.00 2.97 C ATOM 604 CE2 TYR A 37 1.491 5.301 -10.600 1.00 2.86 C ATOM 605 CZ TYR A 37 1.383 6.464 -11.328 1.00 3.23 C ATOM 606 OH TYR A 37 0.715 6.459 -12.534 1.00 4.30 O ATOM 0 H TYR A 37 2.924 4.972 -5.310 1.00 0.25 H new ATOM 0 HA TYR A 37 2.817 7.840 -6.101 1.00 0.24 H new ATOM 0 HB2 TYR A 37 4.306 7.176 -7.645 1.00 0.31 H new ATOM 0 HB3 TYR A 37 3.940 5.474 -7.450 1.00 0.31 H new ATOM 0 HD1 TYR A 37 3.054 8.548 -9.278 1.00 2.03 H new ATOM 0 HD2 TYR A 37 2.240 4.392 -8.826 1.00 1.91 H new ATOM 0 HE1 TYR A 37 1.855 8.547 -11.423 1.00 2.97 H new ATOM 0 HE2 TYR A 37 1.054 4.386 -10.972 1.00 2.86 H new ATOM 0 HH TYR A 37 -0.064 5.867 -12.474 1.00 4.30 H new ATOM 616 N VAL A 38 0.488 7.486 -7.111 1.00 0.21 N ATOM 617 CA VAL A 38 -0.965 7.430 -7.177 1.00 0.19 C ATOM 618 C VAL A 38 -1.433 7.174 -8.607 1.00 0.20 C ATOM 619 O VAL A 38 -0.861 7.703 -9.559 1.00 0.25 O ATOM 620 CB VAL A 38 -1.615 8.716 -6.616 1.00 0.21 C ATOM 621 CG1 VAL A 38 -1.434 9.901 -7.557 1.00 0.26 C ATOM 622 CG2 VAL A 38 -3.083 8.458 -6.330 1.00 0.18 C ATOM 0 H VAL A 38 0.908 8.286 -7.583 1.00 0.21 H new ATOM 0 HA VAL A 38 -1.286 6.598 -6.551 1.00 0.19 H new ATOM 0 HB VAL A 38 -1.112 8.979 -5.686 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -1.905 10.784 -7.125 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -0.371 10.091 -7.702 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -1.897 9.676 -8.518 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -3.541 9.364 -5.935 1.00 0.18 H new ATOM 0 HG22 VAL A 38 -3.588 8.168 -7.252 1.00 0.18 H new ATOM 0 HG23 VAL A 38 -3.176 7.656 -5.598 1.00 0.18 H new ATOM 632 N ASP A 39 -2.449 6.335 -8.753 1.00 0.20 N ATOM 633 CA ASP A 39 -2.966 5.988 -10.070 1.00 0.24 C ATOM 634 C ASP A 39 -4.488 6.024 -10.061 1.00 0.26 C ATOM 635 O ASP A 39 -5.144 4.992 -9.900 1.00 0.30 O ATOM 636 CB ASP A 39 -2.460 4.601 -10.484 1.00 0.27 C ATOM 637 CG ASP A 39 -2.623 4.321 -11.963 1.00 0.40 C ATOM 638 OD1 ASP A 39 -1.749 4.750 -12.749 1.00 1.07 O ATOM 639 OD2 ASP A 39 -3.606 3.653 -12.348 1.00 1.15 O ATOM 0 H ASP A 39 -2.931 5.882 -7.977 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.609 6.718 -10.797 1.00 0.24 H new ATOM 0 HB2 ASP A 39 -1.407 4.512 -10.218 1.00 0.27 H new ATOM 0 HB3 ASP A 39 -2.997 3.841 -9.916 1.00 0.27 H new ATOM 644 N ASP A 40 -5.031 7.231 -10.212 1.00 0.32 N ATOM 645 CA ASP A 40 -6.478 7.477 -10.138 1.00 0.39 C ATOM 646 C ASP A 40 -7.030 7.148 -8.759 1.00 0.34 C ATOM 647 O ASP A 40 -7.163 8.022 -7.901 1.00 0.41 O ATOM 648 CB ASP A 40 -7.254 6.674 -11.193 1.00 0.54 C ATOM 649 CG ASP A 40 -7.313 7.359 -12.541 1.00 0.97 C ATOM 650 OD1 ASP A 40 -8.256 8.148 -12.767 1.00 1.41 O ATOM 651 OD2 ASP A 40 -6.438 7.097 -13.390 1.00 1.83 O ATOM 0 H ASP A 40 -4.481 8.072 -10.390 1.00 0.32 H new ATOM 0 HA ASP A 40 -6.615 8.540 -10.337 1.00 0.39 H new ATOM 0 HB2 ASP A 40 -6.788 5.696 -11.310 1.00 0.54 H new ATOM 0 HB3 ASP A 40 -8.269 6.503 -10.835 1.00 0.54 H new ATOM 656 N GLU A 41 -7.355 5.880 -8.560 1.00 0.38 N ATOM 657 CA GLU A 41 -7.904 5.414 -7.299 1.00 0.49 C ATOM 658 C GLU A 41 -7.013 4.334 -6.711 1.00 0.42 C ATOM 659 O GLU A 41 -7.140 3.972 -5.542 1.00 0.64 O ATOM 660 CB GLU A 41 -9.306 4.849 -7.515 1.00 0.71 C ATOM 661 CG GLU A 41 -10.226 5.779 -8.286 1.00 1.19 C ATOM 662 CD GLU A 41 -11.556 5.135 -8.599 1.00 1.86 C ATOM 663 OE1 GLU A 41 -11.629 4.369 -9.579 1.00 2.54 O ATOM 664 OE2 GLU A 41 -12.533 5.388 -7.865 1.00 2.28 O ATOM 0 H GLU A 41 -7.246 5.150 -9.264 1.00 0.38 H new ATOM 0 HA GLU A 41 -7.956 6.256 -6.609 1.00 0.49 H new ATOM 0 HB2 GLU A 41 -9.228 3.903 -8.050 1.00 0.71 H new ATOM 0 HB3 GLU A 41 -9.754 4.631 -6.545 1.00 0.71 H new ATOM 0 HG2 GLU A 41 -10.391 6.687 -7.706 1.00 1.19 H new ATOM 0 HG3 GLU A 41 -9.741 6.078 -9.215 1.00 1.19 H new ATOM 671 N LYS A 42 -6.133 3.799 -7.541 1.00 0.26 N ATOM 672 CA LYS A 42 -5.211 2.769 -7.104 1.00 0.26 C ATOM 673 C LYS A 42 -3.981 3.394 -6.479 1.00 0.18 C ATOM 674 O LYS A 42 -3.512 4.451 -6.911 1.00 0.18 O ATOM 675 CB LYS A 42 -4.783 1.891 -8.272 1.00 0.39 C ATOM 676 CG LYS A 42 -5.934 1.301 -9.066 1.00 0.78 C ATOM 677 CD LYS A 42 -5.654 1.365 -10.558 1.00 0.87 C ATOM 678 CE LYS A 42 -4.329 0.705 -10.925 1.00 0.55 C ATOM 679 NZ LYS A 42 -3.998 0.920 -12.358 1.00 0.81 N ATOM 0 H LYS A 42 -6.039 4.063 -8.522 1.00 0.26 H new ATOM 0 HA LYS A 42 -5.726 2.154 -6.366 1.00 0.26 H new ATOM 0 HB2 LYS A 42 -4.158 2.480 -8.944 1.00 0.39 H new ATOM 0 HB3 LYS A 42 -4.165 1.078 -7.892 1.00 0.39 H new ATOM 0 HG2 LYS A 42 -6.094 0.265 -8.766 1.00 0.78 H new ATOM 0 HG3 LYS A 42 -6.852 1.844 -8.841 1.00 0.78 H new ATOM 0 HD2 LYS A 42 -6.464 0.876 -11.099 1.00 0.87 H new ATOM 0 HD3 LYS A 42 -5.640 2.407 -10.879 1.00 0.87 H new ATOM 0 HE2 LYS A 42 -3.533 1.111 -10.301 1.00 0.55 H new ATOM 0 HE3 LYS A 42 -4.383 -0.364 -10.718 1.00 0.55 H new ATOM 0 HZ1 LYS A 42 -3.187 0.324 -12.620 1.00 0.81 H new ATOM 0 HZ2 LYS A 42 -4.818 0.667 -12.945 1.00 0.81 H new ATOM 0 HZ3 LYS A 42 -3.757 1.920 -12.512 1.00 0.81 H new ATOM 693 N ILE A 43 -3.467 2.736 -5.468 1.00 0.16 N ATOM 694 CA ILE A 43 -2.263 3.172 -4.806 1.00 0.15 C ATOM 695 C ILE A 43 -1.117 2.253 -5.209 1.00 0.16 C ATOM 696 O ILE A 43 -1.257 1.029 -5.181 1.00 0.21 O ATOM 697 CB ILE A 43 -2.442 3.159 -3.281 1.00 0.21 C ATOM 698 CG1 ILE A 43 -3.784 3.798 -2.916 1.00 0.27 C ATOM 699 CG2 ILE A 43 -1.301 3.912 -2.624 1.00 0.26 C ATOM 700 CD1 ILE A 43 -4.184 3.602 -1.474 1.00 0.34 C ATOM 0 H ILE A 43 -3.872 1.883 -5.082 1.00 0.16 H new ATOM 0 HA ILE A 43 -2.040 4.195 -5.107 1.00 0.15 H new ATOM 0 HB ILE A 43 -2.433 2.130 -2.922 1.00 0.21 H new ATOM 0 HG12 ILE A 43 -3.736 4.866 -3.127 1.00 0.27 H new ATOM 0 HG13 ILE A 43 -4.560 3.381 -3.558 1.00 0.27 H new ATOM 0 HG21 ILE A 43 -1.432 3.900 -1.542 1.00 0.26 H new ATOM 0 HG22 ILE A 43 -0.355 3.435 -2.880 1.00 0.26 H new ATOM 0 HG23 ILE A 43 -1.294 4.943 -2.977 1.00 0.26 H new ATOM 0 HD11 ILE A 43 -5.145 4.083 -1.294 1.00 0.34 H new ATOM 0 HD12 ILE A 43 -4.267 2.536 -1.261 1.00 0.34 H new ATOM 0 HD13 ILE A 43 -3.429 4.045 -0.824 1.00 0.34 H new ATOM 712 N ILE A 44 -0.001 2.842 -5.596 1.00 0.14 N ATOM 713 CA ILE A 44 1.101 2.081 -6.173 1.00 0.16 C ATOM 714 C ILE A 44 2.344 2.233 -5.315 1.00 0.17 C ATOM 715 O ILE A 44 2.913 3.314 -5.238 1.00 0.20 O ATOM 716 CB ILE A 44 1.431 2.551 -7.607 1.00 0.16 C ATOM 717 CG1 ILE A 44 0.152 2.746 -8.438 1.00 0.17 C ATOM 718 CG2 ILE A 44 2.363 1.552 -8.284 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.676 1.494 -8.619 1.00 0.18 C ATOM 0 H ILE A 44 0.170 3.845 -5.523 1.00 0.14 H new ATOM 0 HA ILE A 44 0.789 1.037 -6.210 1.00 0.16 H new ATOM 0 HB ILE A 44 1.934 3.516 -7.542 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -0.464 3.508 -7.960 1.00 0.17 H new ATOM 0 HG13 ILE A 44 0.427 3.129 -9.421 1.00 0.17 H new ATOM 0 HG21 ILE A 44 2.589 1.893 -9.294 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.288 1.472 -7.712 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.879 0.576 -8.330 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.558 1.724 -9.217 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.081 0.735 -9.127 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -0.987 1.119 -7.644 1.00 0.18 H new ATOM 731 N LEU A 45 2.772 1.165 -4.669 1.00 0.18 N ATOM 732 CA LEU A 45 3.931 1.245 -3.795 1.00 0.18 C ATOM 733 C LEU A 45 5.033 0.352 -4.333 1.00 0.20 C ATOM 734 O LEU A 45 4.925 -0.870 -4.300 1.00 0.33 O ATOM 735 CB LEU A 45 3.595 0.816 -2.361 1.00 0.36 C ATOM 736 CG LEU A 45 2.107 0.678 -2.031 1.00 0.32 C ATOM 737 CD1 LEU A 45 1.932 0.002 -0.688 1.00 1.30 C ATOM 738 CD2 LEU A 45 1.426 2.033 -2.012 1.00 1.10 C ATOM 0 H LEU A 45 2.342 0.242 -4.730 1.00 0.18 H new ATOM 0 HA LEU A 45 4.257 2.285 -3.771 1.00 0.18 H new ATOM 0 HB2 LEU A 45 4.080 -0.141 -2.167 1.00 0.36 H new ATOM 0 HB3 LEU A 45 4.033 1.541 -1.675 1.00 0.36 H new ATOM 0 HG LEU A 45 1.644 0.069 -2.807 1.00 0.32 H new ATOM 0 HD11 LEU A 45 0.870 -0.091 -0.463 1.00 1.30 H new ATOM 0 HD12 LEU A 45 2.385 -0.989 -0.718 1.00 1.30 H new ATOM 0 HD13 LEU A 45 2.416 0.599 0.085 1.00 1.30 H new ATOM 0 HD21 LEU A 45 0.370 1.906 -1.775 1.00 1.10 H new ATOM 0 HD22 LEU A 45 1.894 2.665 -1.257 1.00 1.10 H new ATOM 0 HD23 LEU A 45 1.524 2.503 -2.990 1.00 1.10 H new ATOM 750 N LYS A 46 6.074 0.961 -4.853 1.00 0.19 N ATOM 751 CA LYS A 46 7.226 0.217 -5.321 1.00 0.29 C ATOM 752 C LYS A 46 8.338 0.342 -4.297 1.00 0.32 C ATOM 753 O LYS A 46 8.580 1.430 -3.807 1.00 0.54 O ATOM 754 CB LYS A 46 7.694 0.761 -6.668 1.00 0.38 C ATOM 755 CG LYS A 46 8.889 0.030 -7.246 1.00 0.85 C ATOM 756 CD LYS A 46 9.522 0.844 -8.351 1.00 1.00 C ATOM 757 CE LYS A 46 10.255 2.042 -7.774 1.00 1.15 C ATOM 758 NZ LYS A 46 10.807 2.931 -8.827 1.00 1.41 N ATOM 0 H LYS A 46 6.149 1.972 -4.964 1.00 0.19 H new ATOM 0 HA LYS A 46 6.957 -0.831 -5.448 1.00 0.29 H new ATOM 0 HB2 LYS A 46 6.869 0.705 -7.378 1.00 0.38 H new ATOM 0 HB3 LYS A 46 7.946 1.815 -6.555 1.00 0.38 H new ATOM 0 HG2 LYS A 46 9.621 -0.160 -6.461 1.00 0.85 H new ATOM 0 HG3 LYS A 46 8.577 -0.940 -7.633 1.00 0.85 H new ATOM 0 HD2 LYS A 46 10.217 0.223 -8.917 1.00 1.00 H new ATOM 0 HD3 LYS A 46 8.755 1.181 -9.048 1.00 1.00 H new ATOM 0 HE2 LYS A 46 9.573 2.612 -7.143 1.00 1.15 H new ATOM 0 HE3 LYS A 46 11.066 1.694 -7.134 1.00 1.15 H new ATOM 0 HZ1 LYS A 46 11.297 3.733 -8.382 1.00 1.41 H new ATOM 0 HZ2 LYS A 46 11.479 2.397 -9.415 1.00 1.41 H new ATOM 0 HZ3 LYS A 46 10.032 3.286 -9.423 1.00 1.41 H new ATOM 772 N LYS A 47 8.996 -0.763 -3.968 1.00 0.27 N ATOM 773 CA LYS A 47 10.092 -0.739 -2.993 1.00 0.28 C ATOM 774 C LYS A 47 11.059 0.396 -3.301 1.00 0.29 C ATOM 775 O LYS A 47 11.292 0.721 -4.473 1.00 0.34 O ATOM 776 CB LYS A 47 10.854 -2.065 -3.017 1.00 0.39 C ATOM 777 CG LYS A 47 11.580 -2.310 -4.335 1.00 1.26 C ATOM 778 CD LYS A 47 12.332 -3.624 -4.327 1.00 1.27 C ATOM 779 CE LYS A 47 13.154 -3.796 -5.596 1.00 2.37 C ATOM 780 NZ LYS A 47 13.701 -5.170 -5.734 1.00 2.68 N ATOM 0 H LYS A 47 8.795 -1.684 -4.357 1.00 0.27 H new ATOM 0 HA LYS A 47 9.659 -0.585 -2.005 1.00 0.28 H new ATOM 0 HB2 LYS A 47 11.578 -2.077 -2.202 1.00 0.39 H new ATOM 0 HB3 LYS A 47 10.156 -2.882 -2.835 1.00 0.39 H new ATOM 0 HG2 LYS A 47 10.859 -2.309 -5.153 1.00 1.26 H new ATOM 0 HG3 LYS A 47 12.277 -1.493 -4.523 1.00 1.26 H new ATOM 0 HD2 LYS A 47 12.988 -3.665 -3.457 1.00 1.27 H new ATOM 0 HD3 LYS A 47 11.626 -4.449 -4.233 1.00 1.27 H new ATOM 0 HE2 LYS A 47 12.533 -3.566 -6.462 1.00 2.37 H new ATOM 0 HE3 LYS A 47 13.975 -3.079 -5.594 1.00 2.37 H new ATOM 0 HZ1 LYS A 47 14.737 -5.141 -5.650 1.00 2.68 H new ATOM 0 HZ2 LYS A 47 13.310 -5.776 -4.985 1.00 2.68 H new ATOM 0 HZ3 LYS A 47 13.440 -5.556 -6.664 1.00 2.68 H new ATOM 794 N TYR A 48 11.613 1.000 -2.259 1.00 0.32 N ATOM 795 CA TYR A 48 12.510 2.122 -2.438 1.00 0.41 C ATOM 796 C TYR A 48 13.715 1.701 -3.261 1.00 0.53 C ATOM 797 O TYR A 48 14.176 0.562 -3.165 1.00 0.60 O ATOM 798 CB TYR A 48 12.944 2.693 -1.075 1.00 0.48 C ATOM 799 CG TYR A 48 14.056 1.923 -0.380 1.00 1.10 C ATOM 800 CD1 TYR A 48 13.800 0.736 0.296 1.00 2.02 C ATOM 801 CD2 TYR A 48 15.364 2.395 -0.402 1.00 1.68 C ATOM 802 CE1 TYR A 48 14.815 0.045 0.932 1.00 2.71 C ATOM 803 CE2 TYR A 48 16.383 1.710 0.231 1.00 2.40 C ATOM 804 CZ TYR A 48 16.104 0.534 0.894 1.00 2.72 C ATOM 805 OH TYR A 48 17.118 -0.150 1.527 1.00 3.55 O ATOM 0 H TYR A 48 11.455 0.730 -1.288 1.00 0.32 H new ATOM 0 HA TYR A 48 11.984 2.910 -2.977 1.00 0.41 H new ATOM 0 HB2 TYR A 48 13.270 3.723 -1.217 1.00 0.48 H new ATOM 0 HB3 TYR A 48 12.076 2.721 -0.417 1.00 0.48 H new ATOM 0 HD1 TYR A 48 12.793 0.347 0.325 1.00 2.02 H new ATOM 0 HD2 TYR A 48 15.587 3.314 -0.924 1.00 1.68 H new ATOM 0 HE1 TYR A 48 14.599 -0.874 1.456 1.00 2.71 H new ATOM 0 HE2 TYR A 48 17.392 2.094 0.207 1.00 2.40 H new ATOM 0 HH TYR A 48 17.964 0.329 1.402 1.00 3.55 H new ATOM 939 N SER B 3 1.995 12.658 -2.836 1.00 0.46 N ATOM 940 CA SER B 3 1.952 11.360 -3.503 1.00 0.38 C ATOM 941 C SER B 3 2.743 11.384 -4.804 1.00 0.36 C ATOM 942 O SER B 3 3.398 12.378 -5.123 1.00 0.41 O ATOM 943 CB SER B 3 0.502 10.967 -3.792 1.00 0.41 C ATOM 944 OG SER B 3 -0.202 10.726 -2.588 1.00 0.44 O ATOM 0 HA SER B 3 2.405 10.625 -2.838 1.00 0.38 H new ATOM 0 HB2 SER B 3 0.010 11.761 -4.354 1.00 0.41 H new ATOM 0 HB3 SER B 3 0.480 10.074 -4.417 1.00 0.41 H new ATOM 0 HG SER B 3 0.071 11.381 -1.912 1.00 0.44 H new ATOM 950 N THR B 4 2.663 10.281 -5.540 1.00 0.35 N ATOM 951 CA THR B 4 3.331 10.142 -6.822 1.00 0.35 C ATOM 952 C THR B 4 4.847 10.156 -6.653 1.00 0.34 C ATOM 953 O THR B 4 5.529 11.122 -7.001 1.00 0.40 O ATOM 954 CB THR B 4 2.874 11.219 -7.823 1.00 0.36 C ATOM 955 OG1 THR B 4 1.444 11.213 -7.887 1.00 0.35 O ATOM 956 CG2 THR B 4 3.439 10.950 -9.208 1.00 0.41 C ATOM 0 H THR B 4 2.130 9.457 -5.260 1.00 0.35 H new ATOM 0 HA THR B 4 3.046 9.174 -7.235 1.00 0.35 H new ATOM 0 HB THR B 4 3.238 12.189 -7.486 1.00 0.36 H new ATOM 0 HG1 THR B 4 1.142 11.897 -8.521 1.00 0.35 H new ATOM 0 HG21 THR B 4 3.101 11.725 -9.896 1.00 0.41 H new ATOM 0 HG22 THR B 4 4.528 10.954 -9.164 1.00 0.41 H new ATOM 0 HG23 THR B 4 3.094 9.978 -9.559 1.00 0.41 H new ATOM 964 N GLY B 5 5.353 9.091 -6.053 1.00 0.30 N ATOM 965 CA GLY B 5 6.775 8.924 -5.910 1.00 0.30 C ATOM 966 C GLY B 5 7.269 9.450 -4.583 1.00 0.29 C ATOM 967 O GLY B 5 8.309 10.103 -4.509 1.00 0.32 O ATOM 0 H GLY B 5 4.794 8.334 -5.660 1.00 0.30 H new ATOM 0 HA2 GLY B 5 7.028 7.868 -6.000 1.00 0.30 H new ATOM 0 HA3 GLY B 5 7.286 9.444 -6.720 1.00 0.30 H new ATOM 971 N ILE B 6 6.513 9.178 -3.532 1.00 0.28 N ATOM 972 CA ILE B 6 6.915 9.576 -2.197 1.00 0.29 C ATOM 973 C ILE B 6 7.396 8.357 -1.422 1.00 0.25 C ATOM 974 O ILE B 6 6.794 7.290 -1.490 1.00 0.24 O ATOM 975 CB ILE B 6 5.777 10.270 -1.411 1.00 0.35 C ATOM 976 CG1 ILE B 6 6.326 10.821 -0.094 1.00 0.42 C ATOM 977 CG2 ILE B 6 4.620 9.315 -1.149 1.00 0.32 C ATOM 978 CD1 ILE B 6 7.217 12.030 -0.269 1.00 0.52 C ATOM 0 H ILE B 6 5.621 8.685 -3.579 1.00 0.28 H new ATOM 0 HA ILE B 6 7.721 10.301 -2.308 1.00 0.29 H new ATOM 0 HB ILE B 6 5.392 11.092 -2.015 1.00 0.35 H new ATOM 0 HG12 ILE B 6 5.492 11.086 0.555 1.00 0.42 H new ATOM 0 HG13 ILE B 6 6.888 10.036 0.413 1.00 0.42 H new ATOM 0 HG21 ILE B 6 3.838 9.834 -0.595 1.00 0.32 H new ATOM 0 HG22 ILE B 6 4.218 8.961 -2.098 1.00 0.32 H new ATOM 0 HG23 ILE B 6 4.975 8.465 -0.566 1.00 0.32 H new ATOM 0 HD11 ILE B 6 7.570 12.366 0.706 1.00 0.52 H new ATOM 0 HD12 ILE B 6 8.071 11.765 -0.892 1.00 0.52 H new ATOM 0 HD13 ILE B 6 6.653 12.831 -0.747 1.00 0.52 H new ATOM 990 N VAL B 7 8.481 8.510 -0.698 1.00 0.25 N ATOM 991 CA VAL B 7 9.057 7.399 0.026 1.00 0.24 C ATOM 992 C VAL B 7 8.594 7.417 1.486 1.00 0.28 C ATOM 993 O VAL B 7 8.670 8.443 2.162 1.00 0.37 O ATOM 994 CB VAL B 7 10.600 7.430 -0.071 1.00 0.25 C ATOM 995 CG1 VAL B 7 11.182 8.688 0.565 1.00 0.31 C ATOM 996 CG2 VAL B 7 11.197 6.188 0.549 1.00 0.30 C ATOM 0 H VAL B 7 8.983 9.392 -0.594 1.00 0.25 H new ATOM 0 HA VAL B 7 8.712 6.469 -0.427 1.00 0.24 H new ATOM 0 HB VAL B 7 10.863 7.450 -1.129 1.00 0.25 H new ATOM 0 HG11 VAL B 7 12.268 8.672 0.476 1.00 0.31 H new ATOM 0 HG12 VAL B 7 10.790 9.568 0.056 1.00 0.31 H new ATOM 0 HG13 VAL B 7 10.905 8.725 1.619 1.00 0.31 H new ATOM 0 HG21 VAL B 7 12.283 6.229 0.471 1.00 0.30 H new ATOM 0 HG22 VAL B 7 10.911 6.132 1.599 1.00 0.30 H new ATOM 0 HG23 VAL B 7 10.828 5.306 0.025 1.00 0.30 H new ATOM 1006 N ARG B 8 8.078 6.289 1.952 1.00 0.27 N ATOM 1007 CA ARG B 8 7.560 6.184 3.311 1.00 0.32 C ATOM 1008 C ARG B 8 8.052 4.904 3.976 1.00 0.27 C ATOM 1009 O ARG B 8 8.398 3.941 3.292 1.00 0.26 O ATOM 1010 CB ARG B 8 6.031 6.211 3.301 1.00 0.41 C ATOM 1011 CG ARG B 8 5.447 7.435 3.983 1.00 0.57 C ATOM 1012 CD ARG B 8 5.433 8.645 3.064 1.00 0.57 C ATOM 1013 NE ARG B 8 5.085 9.867 3.793 1.00 0.95 N ATOM 1014 CZ ARG B 8 4.311 10.845 3.317 1.00 0.89 C ATOM 1015 NH1 ARG B 8 3.779 10.753 2.099 1.00 1.74 N ATOM 1016 NH2 ARG B 8 4.071 11.914 4.067 1.00 1.09 N ATOM 0 H ARG B 8 8.006 5.429 1.407 1.00 0.27 H new ATOM 0 HA ARG B 8 7.926 7.037 3.882 1.00 0.32 H new ATOM 0 HB2 ARG B 8 5.681 6.177 2.269 1.00 0.41 H new ATOM 0 HB3 ARG B 8 5.656 5.315 3.795 1.00 0.41 H new ATOM 0 HG2 ARG B 8 4.431 7.217 4.311 1.00 0.57 H new ATOM 0 HG3 ARG B 8 6.028 7.665 4.876 1.00 0.57 H new ATOM 0 HD2 ARG B 8 6.412 8.763 2.600 1.00 0.57 H new ATOM 0 HD3 ARG B 8 4.716 8.484 2.259 1.00 0.57 H new ATOM 0 HE ARG B 8 5.462 9.979 4.734 1.00 0.95 H new ATOM 0 HH11 ARG B 8 3.962 9.931 1.523 1.00 1.74 H new ATOM 0 HH12 ARG B 8 3.189 11.504 1.742 1.00 1.74 H new ATOM 0 HH21 ARG B 8 4.477 11.984 5.000 1.00 1.09 H new ATOM 0 HH22 ARG B 8 3.481 12.665 3.710 1.00 1.09 H new ATOM 1030 N LYS B 9 8.076 4.897 5.305 1.00 0.30 N ATOM 1031 CA LYS B 9 8.539 3.735 6.063 1.00 0.27 C ATOM 1032 C LYS B 9 7.424 2.698 6.193 1.00 0.24 C ATOM 1033 O LYS B 9 6.246 3.019 6.020 1.00 0.26 O ATOM 1034 CB LYS B 9 9.007 4.157 7.461 1.00 0.30 C ATOM 1035 CG LYS B 9 10.101 5.218 7.476 1.00 1.23 C ATOM 1036 CD LYS B 9 11.488 4.627 7.261 1.00 0.97 C ATOM 1037 CE LYS B 9 11.777 4.339 5.797 1.00 0.69 C ATOM 1038 NZ LYS B 9 13.175 3.869 5.593 1.00 0.92 N ATOM 0 H LYS B 9 7.780 5.684 5.882 1.00 0.30 H new ATOM 0 HA LYS B 9 9.376 3.293 5.522 1.00 0.27 H new ATOM 0 HB2 LYS B 9 8.149 4.533 8.018 1.00 0.30 H new ATOM 0 HB3 LYS B 9 9.369 3.275 7.989 1.00 0.30 H new ATOM 0 HG2 LYS B 9 9.899 5.955 6.699 1.00 1.23 H new ATOM 0 HG3 LYS B 9 10.078 5.746 8.429 1.00 1.23 H new ATOM 0 HD2 LYS B 9 12.238 5.318 7.647 1.00 0.97 H new ATOM 0 HD3 LYS B 9 11.579 3.705 7.834 1.00 0.97 H new ATOM 0 HE2 LYS B 9 11.082 3.583 5.431 1.00 0.69 H new ATOM 0 HE3 LYS B 9 11.607 5.240 5.208 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 13.233 3.327 4.708 1.00 0.92 H new ATOM 0 HZ2 LYS B 9 13.813 4.689 5.539 1.00 0.92 H new ATOM 0 HZ3 LYS B 9 13.457 3.263 6.389 1.00 0.92 H new ATOM 1052 N VAL B 10 7.796 1.458 6.502 1.00 0.22 N ATOM 1053 CA VAL B 10 6.817 0.396 6.693 1.00 0.22 C ATOM 1054 C VAL B 10 6.277 0.427 8.129 1.00 0.24 C ATOM 1055 O VAL B 10 5.684 1.419 8.565 1.00 0.39 O ATOM 1056 CB VAL B 10 7.412 -1.011 6.404 1.00 0.23 C ATOM 1057 CG1 VAL B 10 6.319 -1.980 5.977 1.00 0.27 C ATOM 1058 CG2 VAL B 10 8.524 -0.954 5.365 1.00 0.22 C ATOM 0 H VAL B 10 8.766 1.167 6.625 1.00 0.22 H new ATOM 0 HA VAL B 10 6.010 0.575 5.982 1.00 0.22 H new ATOM 0 HB VAL B 10 7.854 -1.376 7.331 1.00 0.23 H new ATOM 0 HG11 VAL B 10 6.757 -2.958 5.780 1.00 0.27 H new ATOM 0 HG12 VAL B 10 5.579 -2.067 6.773 1.00 0.27 H new ATOM 0 HG13 VAL B 10 5.837 -1.609 5.072 1.00 0.27 H new ATOM 0 HG21 VAL B 10 8.912 -1.958 5.192 1.00 0.22 H new ATOM 0 HG22 VAL B 10 8.130 -0.552 4.432 1.00 0.22 H new ATOM 0 HG23 VAL B 10 9.327 -0.312 5.726 1.00 0.22 H new ATOM 1068 N ASP B 11 6.510 -0.656 8.864 1.00 0.23 N ATOM 1069 CA ASP B 11 6.087 -0.777 10.255 1.00 0.31 C ATOM 1070 C ASP B 11 6.681 -2.041 10.849 1.00 0.27 C ATOM 1071 O ASP B 11 7.506 -1.988 11.760 1.00 0.21 O ATOM 1072 CB ASP B 11 4.561 -0.821 10.374 1.00 0.64 C ATOM 1073 CG ASP B 11 4.093 -1.034 11.800 1.00 0.98 C ATOM 1074 OD1 ASP B 11 4.637 -0.378 12.715 1.00 1.66 O ATOM 1075 OD2 ASP B 11 3.173 -1.847 12.007 1.00 1.39 O ATOM 0 H ASP B 11 7.000 -1.478 8.510 1.00 0.23 H new ATOM 0 HA ASP B 11 6.441 0.098 10.799 1.00 0.31 H new ATOM 0 HB2 ASP B 11 4.144 0.112 9.994 1.00 0.64 H new ATOM 0 HB3 ASP B 11 4.174 -1.623 9.745 1.00 0.64 H new ATOM 1080 N GLU B 12 6.272 -3.173 10.292 1.00 0.40 N ATOM 1081 CA GLU B 12 6.808 -4.474 10.672 1.00 0.54 C ATOM 1082 C GLU B 12 6.342 -5.546 9.696 1.00 0.46 C ATOM 1083 O GLU B 12 7.011 -5.826 8.700 1.00 0.52 O ATOM 1084 CB GLU B 12 6.417 -4.862 12.108 1.00 0.77 C ATOM 1085 CG GLU B 12 5.012 -4.454 12.517 1.00 0.87 C ATOM 1086 CD GLU B 12 4.675 -4.879 13.930 1.00 1.22 C ATOM 1087 OE1 GLU B 12 4.482 -6.095 14.160 1.00 1.57 O ATOM 1088 OE2 GLU B 12 4.602 -4.003 14.816 1.00 1.91 O ATOM 0 H GLU B 12 5.559 -3.216 9.564 1.00 0.40 H new ATOM 0 HA GLU B 12 7.895 -4.400 10.635 1.00 0.54 H new ATOM 0 HB2 GLU B 12 6.513 -5.942 12.216 1.00 0.77 H new ATOM 0 HB3 GLU B 12 7.128 -4.408 12.799 1.00 0.77 H new ATOM 0 HG2 GLU B 12 4.912 -3.372 12.433 1.00 0.87 H new ATOM 0 HG3 GLU B 12 4.293 -4.895 11.827 1.00 0.87 H new ATOM 1095 N LEU B 13 5.170 -6.101 9.977 1.00 0.39 N ATOM 1096 CA LEU B 13 4.595 -7.183 9.189 1.00 0.35 C ATOM 1097 C LEU B 13 4.344 -6.781 7.736 1.00 0.29 C ATOM 1098 O LEU B 13 4.398 -7.628 6.844 1.00 0.40 O ATOM 1099 CB LEU B 13 3.287 -7.675 9.831 1.00 0.40 C ATOM 1100 CG LEU B 13 2.066 -6.746 9.714 1.00 0.53 C ATOM 1101 CD1 LEU B 13 0.806 -7.485 10.142 1.00 0.64 C ATOM 1102 CD2 LEU B 13 2.242 -5.490 10.557 1.00 0.72 C ATOM 0 H LEU B 13 4.588 -5.811 10.763 1.00 0.39 H new ATOM 0 HA LEU B 13 5.326 -7.992 9.180 1.00 0.35 H new ATOM 0 HB2 LEU B 13 3.028 -8.634 9.383 1.00 0.40 H new ATOM 0 HB3 LEU B 13 3.475 -7.858 10.889 1.00 0.40 H new ATOM 0 HG LEU B 13 1.973 -6.443 8.671 1.00 0.53 H new ATOM 0 HD11 LEU B 13 -0.053 -6.820 10.056 1.00 0.64 H new ATOM 0 HD12 LEU B 13 0.658 -8.354 9.500 1.00 0.64 H new ATOM 0 HD13 LEU B 13 0.910 -7.812 11.177 1.00 0.64 H new ATOM 0 HD21 LEU B 13 1.362 -4.855 10.452 1.00 0.72 H new ATOM 0 HD22 LEU B 13 2.366 -5.769 11.604 1.00 0.72 H new ATOM 0 HD23 LEU B 13 3.124 -4.946 10.220 1.00 0.72 H new ATOM 1114 N GLY B 14 4.076 -5.502 7.495 1.00 0.25 N ATOM 1115 CA GLY B 14 3.827 -5.057 6.138 1.00 0.24 C ATOM 1116 C GLY B 14 3.002 -3.795 6.074 1.00 0.22 C ATOM 1117 O GLY B 14 2.848 -3.210 5.009 1.00 0.31 O ATOM 0 H GLY B 14 4.027 -4.773 8.207 1.00 0.25 H new ATOM 0 HA2 GLY B 14 4.780 -4.888 5.636 1.00 0.24 H new ATOM 0 HA3 GLY B 14 3.315 -5.848 5.590 1.00 0.24 H new ATOM 1121 N ARG B 15 2.455 -3.382 7.210 1.00 0.17 N ATOM 1122 CA ARG B 15 1.638 -2.177 7.264 1.00 0.17 C ATOM 1123 C ARG B 15 2.422 -0.935 6.849 1.00 0.17 C ATOM 1124 O ARG B 15 3.266 -0.445 7.596 1.00 0.22 O ATOM 1125 CB ARG B 15 1.047 -1.986 8.660 1.00 0.20 C ATOM 1126 CG ARG B 15 -0.462 -2.054 8.665 1.00 0.23 C ATOM 1127 CD ARG B 15 -1.037 -1.948 10.062 1.00 0.25 C ATOM 1128 NE ARG B 15 -2.484 -2.150 10.051 1.00 0.42 N ATOM 1129 CZ ARG B 15 -3.166 -2.763 11.018 1.00 0.58 C ATOM 1130 NH1 ARG B 15 -2.551 -3.160 12.126 1.00 0.72 N ATOM 1131 NH2 ARG B 15 -4.471 -2.951 10.881 1.00 0.75 N ATOM 0 H ARG B 15 2.562 -3.862 8.104 1.00 0.17 H new ATOM 0 HA ARG B 15 0.825 -2.309 6.550 1.00 0.17 H new ATOM 0 HB2 ARG B 15 1.444 -2.752 9.327 1.00 0.20 H new ATOM 0 HB3 ARG B 15 1.365 -1.022 9.057 1.00 0.20 H new ATOM 0 HG2 ARG B 15 -0.862 -1.249 8.048 1.00 0.23 H new ATOM 0 HG3 ARG B 15 -0.783 -2.992 8.213 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.568 -2.689 10.709 1.00 0.25 H new ATOM 0 HD3 ARG B 15 -0.806 -0.968 10.480 1.00 0.25 H new ATOM 0 HE ARG B 15 -3.007 -1.798 9.249 1.00 0.42 H new ATOM 0 HH11 ARG B 15 -1.551 -2.996 12.241 1.00 0.72 H new ATOM 0 HH12 ARG B 15 -3.079 -3.629 12.862 1.00 0.72 H new ATOM 0 HH21 ARG B 15 -4.947 -2.627 10.039 1.00 0.75 H new ATOM 0 HH22 ARG B 15 -4.999 -3.420 11.617 1.00 0.75 H new ATOM 1145 N VAL B 16 2.141 -0.440 5.653 1.00 0.14 N ATOM 1146 CA VAL B 16 2.770 0.779 5.162 1.00 0.14 C ATOM 1147 C VAL B 16 1.809 1.952 5.316 1.00 0.16 C ATOM 1148 O VAL B 16 0.598 1.798 5.136 1.00 0.16 O ATOM 1149 CB VAL B 16 3.208 0.647 3.687 1.00 0.15 C ATOM 1150 CG1 VAL B 16 2.006 0.549 2.762 1.00 1.04 C ATOM 1151 CG2 VAL B 16 4.106 1.808 3.292 1.00 0.96 C ATOM 0 H VAL B 16 1.480 -0.864 5.002 1.00 0.14 H new ATOM 0 HA VAL B 16 3.666 0.955 5.757 1.00 0.14 H new ATOM 0 HB VAL B 16 3.777 -0.277 3.585 1.00 0.15 H new ATOM 0 HG11 VAL B 16 2.347 0.457 1.731 1.00 1.04 H new ATOM 0 HG12 VAL B 16 1.413 -0.326 3.027 1.00 1.04 H new ATOM 0 HG13 VAL B 16 1.395 1.446 2.863 1.00 1.04 H new ATOM 0 HG21 VAL B 16 4.405 1.698 2.250 1.00 0.96 H new ATOM 0 HG22 VAL B 16 3.565 2.746 3.418 1.00 0.96 H new ATOM 0 HG23 VAL B 16 4.993 1.814 3.925 1.00 0.96 H new ATOM 1161 N VAL B 17 2.341 3.112 5.672 1.00 0.17 N ATOM 1162 CA VAL B 17 1.512 4.282 5.914 1.00 0.17 C ATOM 1163 C VAL B 17 1.125 4.963 4.605 1.00 0.18 C ATOM 1164 O VAL B 17 1.969 5.561 3.936 1.00 0.25 O ATOM 1165 CB VAL B 17 2.227 5.309 6.818 1.00 0.20 C ATOM 1166 CG1 VAL B 17 1.338 6.519 7.077 1.00 0.23 C ATOM 1167 CG2 VAL B 17 2.646 4.667 8.128 1.00 0.22 C ATOM 0 H VAL B 17 3.341 3.267 5.799 1.00 0.17 H new ATOM 0 HA VAL B 17 0.614 3.928 6.420 1.00 0.17 H new ATOM 0 HB VAL B 17 3.122 5.651 6.298 1.00 0.20 H new ATOM 0 HG11 VAL B 17 1.865 7.227 7.716 1.00 0.23 H new ATOM 0 HG12 VAL B 17 1.091 6.999 6.130 1.00 0.23 H new ATOM 0 HG13 VAL B 17 0.421 6.198 7.570 1.00 0.23 H new ATOM 0 HG21 VAL B 17 3.148 5.407 8.751 1.00 0.22 H new ATOM 0 HG22 VAL B 17 1.764 4.293 8.648 1.00 0.22 H new ATOM 0 HG23 VAL B 17 3.327 3.840 7.927 1.00 0.22 H new ATOM 1177 N ILE B 18 -0.143 4.854 4.234 1.00 0.16 N ATOM 1178 CA ILE B 18 -0.653 5.552 3.061 1.00 0.21 C ATOM 1179 C ILE B 18 -1.061 6.971 3.433 1.00 0.17 C ATOM 1180 O ILE B 18 -1.636 7.191 4.500 1.00 0.18 O ATOM 1181 CB ILE B 18 -1.878 4.839 2.450 1.00 0.30 C ATOM 1182 CG1 ILE B 18 -1.634 3.335 2.375 1.00 0.34 C ATOM 1183 CG2 ILE B 18 -2.201 5.401 1.071 1.00 0.44 C ATOM 1184 CD1 ILE B 18 -2.586 2.609 1.456 1.00 0.55 C ATOM 0 H ILE B 18 -0.836 4.291 4.726 1.00 0.16 H new ATOM 0 HA ILE B 18 0.150 5.562 2.324 1.00 0.21 H new ATOM 0 HB ILE B 18 -2.737 5.019 3.097 1.00 0.30 H new ATOM 0 HG12 ILE B 18 -0.613 3.158 2.038 1.00 0.34 H new ATOM 0 HG13 ILE B 18 -1.717 2.912 3.376 1.00 0.34 H new ATOM 0 HG21 ILE B 18 -3.068 4.883 0.661 1.00 0.44 H new ATOM 0 HG22 ILE B 18 -2.420 6.465 1.154 1.00 0.44 H new ATOM 0 HG23 ILE B 18 -1.346 5.257 0.410 1.00 0.44 H new ATOM 0 HD11 ILE B 18 -2.350 1.545 1.455 1.00 0.55 H new ATOM 0 HD12 ILE B 18 -3.609 2.754 1.804 1.00 0.55 H new ATOM 0 HD13 ILE B 18 -2.487 3.003 0.445 1.00 0.55 H new ATOM 1196 N PRO B 19 -0.737 7.951 2.571 1.00 0.20 N ATOM 1197 CA PRO B 19 -1.169 9.336 2.730 1.00 0.22 C ATOM 1198 C PRO B 19 -2.631 9.484 3.144 1.00 0.21 C ATOM 1199 O PRO B 19 -3.520 8.815 2.603 1.00 0.18 O ATOM 1200 CB PRO B 19 -0.988 9.908 1.338 1.00 0.26 C ATOM 1201 CG PRO B 19 0.186 9.176 0.792 1.00 0.28 C ATOM 1202 CD PRO B 19 0.127 7.791 1.384 1.00 0.27 C ATOM 0 HA PRO B 19 -0.603 9.831 3.519 1.00 0.22 H new ATOM 0 HB2 PRO B 19 -1.875 9.751 0.725 1.00 0.26 H new ATOM 0 HB3 PRO B 19 -0.808 10.983 1.369 1.00 0.26 H new ATOM 0 HG2 PRO B 19 0.149 9.136 -0.297 1.00 0.28 H new ATOM 0 HG3 PRO B 19 1.117 9.676 1.061 1.00 0.28 H new ATOM 0 HD2 PRO B 19 -0.291 7.072 0.679 1.00 0.27 H new ATOM 0 HD3 PRO B 19 1.119 7.430 1.657 1.00 0.27 H new ATOM 1210 N ILE B 20 -2.865 10.383 4.089 1.00 0.25 N ATOM 1211 CA ILE B 20 -4.220 10.723 4.515 1.00 0.26 C ATOM 1212 C ILE B 20 -5.066 11.180 3.324 1.00 0.26 C ATOM 1213 O ILE B 20 -6.255 10.894 3.251 1.00 0.25 O ATOM 1214 CB ILE B 20 -4.218 11.832 5.593 1.00 0.30 C ATOM 1215 CG1 ILE B 20 -5.649 12.285 5.904 1.00 0.31 C ATOM 1216 CG2 ILE B 20 -3.362 13.015 5.156 1.00 0.34 C ATOM 1217 CD1 ILE B 20 -5.733 13.353 6.971 1.00 0.82 C ATOM 0 H ILE B 20 -2.131 10.894 4.579 1.00 0.25 H new ATOM 0 HA ILE B 20 -4.654 9.820 4.945 1.00 0.26 H new ATOM 0 HB ILE B 20 -3.783 11.419 6.503 1.00 0.30 H new ATOM 0 HG12 ILE B 20 -6.108 12.661 4.990 1.00 0.31 H new ATOM 0 HG13 ILE B 20 -6.233 11.421 6.221 1.00 0.31 H new ATOM 0 HG21 ILE B 20 -3.377 13.781 5.931 1.00 0.34 H new ATOM 0 HG22 ILE B 20 -2.337 12.682 4.995 1.00 0.34 H new ATOM 0 HG23 ILE B 20 -3.759 13.429 4.229 1.00 0.34 H new ATOM 0 HD11 ILE B 20 -6.776 13.622 7.136 1.00 0.82 H new ATOM 0 HD12 ILE B 20 -5.305 12.974 7.899 1.00 0.82 H new ATOM 0 HD13 ILE B 20 -5.178 14.234 6.648 1.00 0.82 H new ATOM 1229 N GLU B 21 -4.428 11.840 2.366 1.00 0.28 N ATOM 1230 CA GLU B 21 -5.128 12.368 1.202 1.00 0.30 C ATOM 1231 C GLU B 21 -5.508 11.241 0.257 1.00 0.26 C ATOM 1232 O GLU B 21 -6.477 11.347 -0.488 1.00 0.26 O ATOM 1233 CB GLU B 21 -4.253 13.389 0.482 1.00 0.37 C ATOM 1234 CG GLU B 21 -3.019 12.790 -0.165 1.00 0.42 C ATOM 1235 CD GLU B 21 -2.039 13.850 -0.597 1.00 0.64 C ATOM 1236 OE1 GLU B 21 -1.246 14.295 0.256 1.00 1.35 O ATOM 1237 OE2 GLU B 21 -2.068 14.259 -1.774 1.00 1.18 O ATOM 0 H GLU B 21 -3.425 12.023 2.372 1.00 0.28 H new ATOM 0 HA GLU B 21 -6.040 12.861 1.537 1.00 0.30 H new ATOM 0 HB2 GLU B 21 -4.848 13.887 -0.284 1.00 0.37 H new ATOM 0 HB3 GLU B 21 -3.943 14.154 1.194 1.00 0.37 H new ATOM 0 HG2 GLU B 21 -2.534 12.112 0.537 1.00 0.42 H new ATOM 0 HG3 GLU B 21 -3.315 12.195 -1.029 1.00 0.42 H new ATOM 1244 N LEU B 22 -4.789 10.130 0.359 1.00 0.24 N ATOM 1245 CA LEU B 22 -5.006 9.015 -0.538 1.00 0.22 C ATOM 1246 C LEU B 22 -6.180 8.194 -0.043 1.00 0.20 C ATOM 1247 O LEU B 22 -7.110 7.898 -0.791 1.00 0.20 O ATOM 1248 CB LEU B 22 -3.749 8.159 -0.647 1.00 0.23 C ATOM 1249 CG LEU B 22 -2.630 8.748 -1.504 1.00 0.28 C ATOM 1250 CD1 LEU B 22 -1.664 7.658 -1.942 1.00 0.30 C ATOM 1251 CD2 LEU B 22 -3.201 9.487 -2.708 1.00 0.33 C ATOM 0 H LEU B 22 -4.055 9.983 1.052 1.00 0.24 H new ATOM 0 HA LEU B 22 -5.234 9.394 -1.534 1.00 0.22 H new ATOM 0 HB2 LEU B 22 -3.361 7.983 0.356 1.00 0.23 H new ATOM 0 HB3 LEU B 22 -4.025 7.188 -1.057 1.00 0.23 H new ATOM 0 HG LEU B 22 -2.079 9.469 -0.900 1.00 0.28 H new ATOM 0 HD11 LEU B 22 -0.874 8.096 -2.552 1.00 0.30 H new ATOM 0 HD12 LEU B 22 -1.225 7.186 -1.063 1.00 0.30 H new ATOM 0 HD13 LEU B 22 -2.200 6.910 -2.526 1.00 0.30 H new ATOM 0 HD21 LEU B 22 -2.385 9.898 -3.303 1.00 0.33 H new ATOM 0 HD22 LEU B 22 -3.782 8.795 -3.317 1.00 0.33 H new ATOM 0 HD23 LEU B 22 -3.844 10.298 -2.366 1.00 0.33 H new ATOM 1263 N ARG B 23 -6.177 7.897 1.250 1.00 0.19 N ATOM 1264 CA ARG B 23 -7.276 7.162 1.852 1.00 0.18 C ATOM 1265 C ARG B 23 -8.535 8.014 1.773 1.00 0.18 C ATOM 1266 O ARG B 23 -9.634 7.512 1.562 1.00 0.19 O ATOM 1267 CB ARG B 23 -6.962 6.811 3.307 1.00 0.21 C ATOM 1268 CG ARG B 23 -6.583 8.002 4.170 1.00 0.27 C ATOM 1269 CD ARG B 23 -6.616 7.624 5.628 1.00 0.64 C ATOM 1270 NE ARG B 23 -6.133 8.680 6.518 1.00 0.66 N ATOM 1271 CZ ARG B 23 -6.892 9.287 7.433 1.00 0.88 C ATOM 1272 NH1 ARG B 23 -8.204 9.118 7.430 1.00 1.48 N ATOM 1273 NH2 ARG B 23 -6.336 10.106 8.318 1.00 1.34 N ATOM 0 H ARG B 23 -5.430 8.153 1.896 1.00 0.19 H new ATOM 0 HA ARG B 23 -7.426 6.228 1.310 1.00 0.18 H new ATOM 0 HB2 ARG B 23 -7.831 6.321 3.746 1.00 0.21 H new ATOM 0 HB3 ARG B 23 -6.146 6.089 3.326 1.00 0.21 H new ATOM 0 HG2 ARG B 23 -5.587 8.352 3.901 1.00 0.27 H new ATOM 0 HG3 ARG B 23 -7.271 8.827 3.986 1.00 0.27 H new ATOM 0 HD2 ARG B 23 -7.638 7.366 5.905 1.00 0.64 H new ATOM 0 HD3 ARG B 23 -6.011 6.730 5.777 1.00 0.64 H new ATOM 0 HE ARG B 23 -5.159 8.970 6.434 1.00 0.66 H new ATOM 0 HH11 ARG B 23 -8.640 8.522 6.726 1.00 1.48 H new ATOM 0 HH12 ARG B 23 -8.780 9.584 8.131 1.00 1.48 H new ATOM 0 HH21 ARG B 23 -5.330 10.271 8.298 1.00 1.34 H new ATOM 0 HH22 ARG B 23 -6.915 10.570 9.017 1.00 1.34 H new ATOM 1287 N ARG B 24 -8.334 9.317 1.923 1.00 0.20 N ATOM 1288 CA ARG B 24 -9.380 10.309 1.742 1.00 0.22 C ATOM 1289 C ARG B 24 -9.908 10.278 0.313 1.00 0.22 C ATOM 1290 O ARG B 24 -11.105 10.434 0.085 1.00 0.23 O ATOM 1291 CB ARG B 24 -8.818 11.677 2.102 1.00 0.30 C ATOM 1292 CG ARG B 24 -9.699 12.842 1.723 1.00 0.42 C ATOM 1293 CD ARG B 24 -9.181 13.526 0.469 1.00 0.89 C ATOM 1294 NE ARG B 24 -9.898 14.764 0.179 1.00 1.40 N ATOM 1295 CZ ARG B 24 -9.677 15.515 -0.900 1.00 1.96 C ATOM 1296 NH1 ARG B 24 -8.769 15.141 -1.798 1.00 2.14 N ATOM 1297 NH2 ARG B 24 -10.372 16.629 -1.086 1.00 2.77 N ATOM 0 H ARG B 24 -7.430 9.716 2.176 1.00 0.20 H new ATOM 0 HA ARG B 24 -10.223 10.087 2.397 1.00 0.22 H new ATOM 0 HB2 ARG B 24 -8.639 11.709 3.177 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -7.851 11.797 1.614 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -10.719 12.494 1.558 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -9.736 13.558 2.544 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -8.119 13.742 0.588 1.00 0.89 H new ATOM 0 HD3 ARG B 24 -9.275 12.847 -0.378 1.00 0.89 H new ATOM 0 HE ARG B 24 -10.610 15.073 0.841 1.00 1.40 H new ATOM 0 HH11 ARG B 24 -8.241 14.279 -1.661 1.00 2.14 H new ATOM 0 HH12 ARG B 24 -8.601 15.716 -2.623 1.00 2.14 H new ATOM 0 HH21 ARG B 24 -11.076 16.911 -0.403 1.00 2.77 H new ATOM 0 HH22 ARG B 24 -10.203 17.204 -1.912 1.00 2.77 H new ATOM 1311 N THR B 25 -9.017 10.042 -0.645 1.00 0.23 N ATOM 1312 CA THR B 25 -9.418 9.914 -2.049 1.00 0.24 C ATOM 1313 C THR B 25 -10.334 8.708 -2.236 1.00 0.22 C ATOM 1314 O THR B 25 -11.290 8.740 -3.010 1.00 0.23 O ATOM 1315 CB THR B 25 -8.198 9.752 -2.976 1.00 0.27 C ATOM 1316 OG1 THR B 25 -7.391 10.925 -2.901 1.00 0.31 O ATOM 1317 CG2 THR B 25 -8.616 9.512 -4.419 1.00 0.29 C ATOM 0 H THR B 25 -8.016 9.935 -0.480 1.00 0.23 H new ATOM 0 HA THR B 25 -9.945 10.830 -2.314 1.00 0.24 H new ATOM 0 HB THR B 25 -7.632 8.882 -2.643 1.00 0.27 H new ATOM 0 HG1 THR B 25 -6.932 10.951 -2.036 1.00 0.31 H new ATOM 0 HG21 THR B 25 -7.728 9.403 -5.042 1.00 0.29 H new ATOM 0 HG22 THR B 25 -9.215 8.603 -4.478 1.00 0.29 H new ATOM 0 HG23 THR B 25 -9.205 10.358 -4.773 1.00 0.29 H new ATOM 1325 N LEU B 26 -10.048 7.657 -1.483 1.00 0.20 N ATOM 1326 CA LEU B 26 -10.763 6.397 -1.617 1.00 0.19 C ATOM 1327 C LEU B 26 -11.972 6.392 -0.698 1.00 0.18 C ATOM 1328 O LEU B 26 -12.835 5.520 -0.789 1.00 0.21 O ATOM 1329 CB LEU B 26 -9.852 5.229 -1.248 1.00 0.19 C ATOM 1330 CG LEU B 26 -8.364 5.447 -1.515 1.00 0.20 C ATOM 1331 CD1 LEU B 26 -7.561 4.254 -1.046 1.00 0.20 C ATOM 1332 CD2 LEU B 26 -8.100 5.740 -2.988 1.00 0.24 C ATOM 0 H LEU B 26 -9.321 7.652 -0.768 1.00 0.20 H new ATOM 0 HA LEU B 26 -11.085 6.289 -2.653 1.00 0.19 H new ATOM 0 HB2 LEU B 26 -9.985 5.008 -0.189 1.00 0.19 H new ATOM 0 HB3 LEU B 26 -10.177 4.348 -1.801 1.00 0.19 H new ATOM 0 HG LEU B 26 -8.045 6.321 -0.947 1.00 0.20 H new ATOM 0 HD11 LEU B 26 -6.503 4.427 -1.244 1.00 0.20 H new ATOM 0 HD12 LEU B 26 -7.711 4.112 0.024 1.00 0.20 H new ATOM 0 HD13 LEU B 26 -7.889 3.362 -1.580 1.00 0.20 H new ATOM 0 HD21 LEU B 26 -7.032 5.890 -3.143 1.00 0.24 H new ATOM 0 HD22 LEU B 26 -8.440 4.899 -3.593 1.00 0.24 H new ATOM 0 HD23 LEU B 26 -8.639 6.640 -3.282 1.00 0.24 H new ATOM 1344 N GLY B 27 -12.027 7.384 0.180 1.00 0.19 N ATOM 1345 CA GLY B 27 -13.067 7.445 1.186 1.00 0.21 C ATOM 1346 C GLY B 27 -12.941 6.348 2.225 1.00 0.24 C ATOM 1347 O GLY B 27 -13.883 6.081 2.972 1.00 0.34 O ATOM 0 H GLY B 27 -11.361 8.156 0.212 1.00 0.19 H new ATOM 0 HA2 GLY B 27 -13.031 8.415 1.682 1.00 0.21 H new ATOM 0 HA3 GLY B 27 -14.040 7.371 0.701 1.00 0.21 H new ATOM 1351 N ILE B 28 -11.778 5.714 2.279 1.00 0.22 N ATOM 1352 CA ILE B 28 -11.554 4.626 3.215 1.00 0.23 C ATOM 1353 C ILE B 28 -10.826 5.110 4.458 1.00 0.18 C ATOM 1354 O ILE B 28 -10.307 6.228 4.491 1.00 0.17 O ATOM 1355 CB ILE B 28 -10.729 3.479 2.601 1.00 0.31 C ATOM 1356 CG1 ILE B 28 -9.310 3.952 2.274 1.00 0.33 C ATOM 1357 CG2 ILE B 28 -11.417 2.935 1.359 1.00 0.40 C ATOM 1358 CD1 ILE B 28 -8.318 2.820 2.174 1.00 0.47 C ATOM 0 H ILE B 28 -10.978 5.935 1.686 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.545 4.254 3.474 1.00 0.23 H new ATOM 0 HB ILE B 28 -10.658 2.674 3.332 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -9.324 4.499 1.332 1.00 0.33 H new ATOM 0 HG13 ILE B 28 -8.980 4.650 3.043 1.00 0.33 H new ATOM 0 HG21 ILE B 28 -10.821 2.125 0.938 1.00 0.40 H new ATOM 0 HG22 ILE B 28 -12.404 2.558 1.626 1.00 0.40 H new ATOM 0 HG23 ILE B 28 -11.520 3.731 0.622 1.00 0.40 H new ATOM 0 HD11 ILE B 28 -7.331 3.220 1.940 1.00 0.47 H new ATOM 0 HD12 ILE B 28 -8.278 2.287 3.124 1.00 0.47 H new ATOM 0 HD13 ILE B 28 -8.627 2.134 1.385 1.00 0.47 H new ATOM 1370 N ALA B 29 -10.783 4.245 5.463 1.00 0.19 N ATOM 1371 CA ALA B 29 -10.081 4.511 6.710 1.00 0.18 C ATOM 1372 C ALA B 29 -10.213 3.327 7.634 1.00 0.19 C ATOM 1373 O ALA B 29 -11.235 2.647 7.623 1.00 0.21 O ATOM 1374 CB ALA B 29 -10.625 5.760 7.391 1.00 0.22 C ATOM 0 H ALA B 29 -11.238 3.333 5.435 1.00 0.19 H new ATOM 0 HA ALA B 29 -9.029 4.679 6.479 1.00 0.18 H new ATOM 0 HB1 ALA B 29 -10.082 5.934 8.320 1.00 0.22 H new ATOM 0 HB2 ALA B 29 -10.499 6.618 6.731 1.00 0.22 H new ATOM 0 HB3 ALA B 29 -11.684 5.623 7.610 1.00 0.22 H new ATOM 1380 N GLU B 30 -9.162 3.102 8.420 1.00 0.20 N ATOM 1381 CA GLU B 30 -9.124 2.099 9.479 1.00 0.22 C ATOM 1382 C GLU B 30 -9.851 0.785 9.164 1.00 0.24 C ATOM 1383 O GLU B 30 -9.253 -0.153 8.640 1.00 0.25 O ATOM 1384 CB GLU B 30 -9.640 2.706 10.780 1.00 0.26 C ATOM 1385 CG GLU B 30 -10.781 3.698 10.613 1.00 0.28 C ATOM 1386 CD GLU B 30 -11.263 4.235 11.943 1.00 0.43 C ATOM 1387 OE1 GLU B 30 -10.631 5.165 12.474 1.00 1.11 O ATOM 1388 OE2 GLU B 30 -12.271 3.715 12.467 1.00 1.12 O ATOM 0 H GLU B 30 -8.291 3.627 8.335 1.00 0.20 H new ATOM 0 HA GLU B 30 -8.077 1.813 9.577 1.00 0.22 H new ATOM 0 HB2 GLU B 30 -9.971 1.900 11.434 1.00 0.26 H new ATOM 0 HB3 GLU B 30 -8.813 3.206 11.284 1.00 0.26 H new ATOM 0 HG2 GLU B 30 -10.453 4.526 9.985 1.00 0.28 H new ATOM 0 HG3 GLU B 30 -11.609 3.214 10.095 1.00 0.28 H new ATOM 1395 N LYS B 31 -11.133 0.730 9.493 1.00 0.26 N ATOM 1396 CA LYS B 31 -11.914 -0.499 9.414 1.00 0.30 C ATOM 1397 C LYS B 31 -12.280 -0.868 7.978 1.00 0.27 C ATOM 1398 O LYS B 31 -13.013 -1.833 7.753 1.00 0.33 O ATOM 1399 CB LYS B 31 -13.191 -0.342 10.234 1.00 0.37 C ATOM 1400 CG LYS B 31 -12.955 0.178 11.639 1.00 0.44 C ATOM 1401 CD LYS B 31 -12.124 -0.794 12.455 1.00 0.49 C ATOM 1402 CE LYS B 31 -10.674 -0.353 12.549 1.00 0.50 C ATOM 1403 NZ LYS B 31 -9.959 -1.034 13.659 1.00 0.65 N ATOM 0 H LYS B 31 -11.663 1.536 9.823 1.00 0.26 H new ATOM 0 HA LYS B 31 -11.296 -1.303 9.812 1.00 0.30 H new ATOM 0 HB2 LYS B 31 -13.865 0.338 9.713 1.00 0.37 H new ATOM 0 HB3 LYS B 31 -13.695 -1.307 10.293 1.00 0.37 H new ATOM 0 HG2 LYS B 31 -12.449 1.142 11.592 1.00 0.44 H new ATOM 0 HG3 LYS B 31 -13.912 0.345 12.133 1.00 0.44 H new ATOM 0 HD2 LYS B 31 -12.544 -0.879 13.457 1.00 0.49 H new ATOM 0 HD3 LYS B 31 -12.174 -1.784 12.003 1.00 0.49 H new ATOM 0 HE2 LYS B 31 -10.168 -0.565 11.607 1.00 0.50 H new ATOM 0 HE3 LYS B 31 -10.632 0.726 12.698 1.00 0.50 H new ATOM 0 HZ1 LYS B 31 -8.973 -0.706 13.690 1.00 0.65 H new ATOM 0 HZ2 LYS B 31 -10.426 -0.811 14.561 1.00 0.65 H new ATOM 0 HZ3 LYS B 31 -9.977 -2.062 13.504 1.00 0.65 H new ATOM 1417 N ASP B 32 -11.781 -0.120 7.000 1.00 0.23 N ATOM 1418 CA ASP B 32 -12.177 -0.362 5.624 1.00 0.21 C ATOM 1419 C ASP B 32 -11.156 -1.220 4.912 1.00 0.19 C ATOM 1420 O ASP B 32 -10.176 -1.667 5.510 1.00 0.20 O ATOM 1421 CB ASP B 32 -12.386 0.927 4.848 1.00 0.25 C ATOM 1422 CG ASP B 32 -13.703 0.906 4.110 1.00 0.54 C ATOM 1423 OD1 ASP B 32 -13.865 0.056 3.214 1.00 1.37 O ATOM 1424 OD2 ASP B 32 -14.590 1.718 4.446 1.00 1.18 O ATOM 0 H ASP B 32 -11.116 0.642 7.132 1.00 0.23 H new ATOM 0 HA ASP B 32 -13.130 -0.889 5.664 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -12.362 1.775 5.532 1.00 0.25 H new ATOM 0 HB3 ASP B 32 -11.570 1.065 4.139 1.00 0.25 H new ATOM 1429 N ALA B 33 -11.400 -1.466 3.640 1.00 0.18 N ATOM 1430 CA ALA B 33 -10.592 -2.416 2.900 1.00 0.19 C ATOM 1431 C ALA B 33 -9.997 -1.861 1.611 1.00 0.19 C ATOM 1432 O ALA B 33 -10.526 -0.930 0.999 1.00 0.22 O ATOM 1433 CB ALA B 33 -11.425 -3.644 2.599 1.00 0.22 C ATOM 0 H ALA B 33 -12.145 -1.025 3.100 1.00 0.18 H new ATOM 0 HA ALA B 33 -9.741 -2.663 3.534 1.00 0.19 H new ATOM 0 HB1 ALA B 33 -10.824 -4.364 2.042 1.00 0.22 H new ATOM 0 HB2 ALA B 33 -11.759 -4.095 3.533 1.00 0.22 H new ATOM 0 HB3 ALA B 33 -12.293 -3.358 2.004 1.00 0.22 H new ATOM 1439 N LEU B 34 -8.877 -2.459 1.228 1.00 0.19 N ATOM 1440 CA LEU B 34 -8.205 -2.198 -0.031 1.00 0.19 C ATOM 1441 C LEU B 34 -7.990 -3.530 -0.735 1.00 0.20 C ATOM 1442 O LEU B 34 -7.902 -4.572 -0.084 1.00 0.23 O ATOM 1443 CB LEU B 34 -6.847 -1.534 0.223 1.00 0.23 C ATOM 1444 CG LEU B 34 -6.888 -0.043 0.551 1.00 0.46 C ATOM 1445 CD1 LEU B 34 -5.624 0.373 1.282 1.00 1.23 C ATOM 1446 CD2 LEU B 34 -7.042 0.764 -0.727 1.00 0.85 C ATOM 0 H LEU B 34 -8.401 -3.156 1.801 1.00 0.19 H new ATOM 0 HA LEU B 34 -8.810 -1.530 -0.644 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -6.357 -2.055 1.046 1.00 0.23 H new ATOM 0 HB3 LEU B 34 -6.224 -1.676 -0.660 1.00 0.23 H new ATOM 0 HG LEU B 34 -7.743 0.150 1.199 1.00 0.46 H new ATOM 0 HD11 LEU B 34 -5.669 1.438 1.509 1.00 1.23 H new ATOM 0 HD12 LEU B 34 -5.538 -0.192 2.210 1.00 1.23 H new ATOM 0 HD13 LEU B 34 -4.757 0.172 0.653 1.00 1.23 H new ATOM 0 HD21 LEU B 34 -7.071 1.826 -0.485 1.00 0.85 H new ATOM 0 HD22 LEU B 34 -6.198 0.565 -1.387 1.00 0.85 H new ATOM 0 HD23 LEU B 34 -7.968 0.481 -1.227 1.00 0.85 H new ATOM 1458 N GLU B 35 -7.905 -3.489 -2.043 1.00 0.19 N ATOM 1459 CA GLU B 35 -7.685 -4.672 -2.843 1.00 0.20 C ATOM 1460 C GLU B 35 -6.251 -4.666 -3.364 1.00 0.19 C ATOM 1461 O GLU B 35 -5.917 -3.905 -4.278 1.00 0.20 O ATOM 1462 CB GLU B 35 -8.666 -4.708 -4.011 1.00 0.23 C ATOM 1463 CG GLU B 35 -8.994 -6.115 -4.462 1.00 0.78 C ATOM 1464 CD GLU B 35 -9.854 -6.151 -5.711 1.00 0.77 C ATOM 1465 OE1 GLU B 35 -10.962 -5.574 -5.700 1.00 1.30 O ATOM 1466 OE2 GLU B 35 -9.435 -6.768 -6.712 1.00 1.40 O ATOM 0 H GLU B 35 -7.987 -2.630 -2.586 1.00 0.19 H new ATOM 0 HA GLU B 35 -7.845 -5.558 -2.229 1.00 0.20 H new ATOM 0 HB2 GLU B 35 -9.586 -4.201 -3.722 1.00 0.23 H new ATOM 0 HB3 GLU B 35 -8.246 -4.152 -4.849 1.00 0.23 H new ATOM 0 HG2 GLU B 35 -8.067 -6.656 -4.650 1.00 0.78 H new ATOM 0 HG3 GLU B 35 -9.510 -6.638 -3.657 1.00 0.78 H new ATOM 1473 N ILE B 36 -5.408 -5.497 -2.768 1.00 0.20 N ATOM 1474 CA ILE B 36 -3.991 -5.521 -3.093 1.00 0.22 C ATOM 1475 C ILE B 36 -3.676 -6.552 -4.173 1.00 0.24 C ATOM 1476 O ILE B 36 -3.988 -7.737 -4.043 1.00 0.26 O ATOM 1477 CB ILE B 36 -3.116 -5.791 -1.838 1.00 0.25 C ATOM 1478 CG1 ILE B 36 -3.010 -4.533 -0.979 1.00 0.28 C ATOM 1479 CG2 ILE B 36 -1.727 -6.283 -2.220 1.00 0.29 C ATOM 1480 CD1 ILE B 36 -4.291 -4.186 -0.267 1.00 0.25 C ATOM 0 H ILE B 36 -5.685 -6.168 -2.051 1.00 0.20 H new ATOM 0 HA ILE B 36 -3.747 -4.531 -3.478 1.00 0.22 H new ATOM 0 HB ILE B 36 -3.603 -6.576 -1.260 1.00 0.25 H new ATOM 0 HG12 ILE B 36 -2.219 -4.671 -0.242 1.00 0.28 H new ATOM 0 HG13 ILE B 36 -2.715 -3.695 -1.610 1.00 0.28 H new ATOM 0 HG21 ILE B 36 -1.143 -6.461 -1.317 1.00 0.29 H new ATOM 0 HG22 ILE B 36 -1.812 -7.211 -2.786 1.00 0.29 H new ATOM 0 HG23 ILE B 36 -1.229 -5.530 -2.831 1.00 0.29 H new ATOM 0 HD11 ILE B 36 -4.145 -3.282 0.325 1.00 0.25 H new ATOM 0 HD12 ILE B 36 -5.080 -4.017 -1.000 1.00 0.25 H new ATOM 0 HD13 ILE B 36 -4.576 -5.008 0.390 1.00 0.25 H new ATOM 1492 N TYR B 37 -3.055 -6.078 -5.233 1.00 0.24 N ATOM 1493 CA TYR B 37 -2.593 -6.908 -6.325 1.00 0.24 C ATOM 1494 C TYR B 37 -1.109 -6.629 -6.557 1.00 0.18 C ATOM 1495 O TYR B 37 -0.589 -5.622 -6.078 1.00 0.23 O ATOM 1496 CB TYR B 37 -3.475 -6.657 -7.564 1.00 0.31 C ATOM 1497 CG TYR B 37 -2.798 -6.730 -8.919 1.00 1.09 C ATOM 1498 CD1 TYR B 37 -2.696 -7.934 -9.602 1.00 2.07 C ATOM 1499 CD2 TYR B 37 -2.294 -5.586 -9.527 1.00 1.84 C ATOM 1500 CE1 TYR B 37 -2.104 -7.999 -10.848 1.00 3.02 C ATOM 1501 CE2 TYR B 37 -1.705 -5.642 -10.777 1.00 2.78 C ATOM 1502 CZ TYR B 37 -1.612 -6.851 -11.434 1.00 3.21 C ATOM 1503 OH TYR B 37 -1.031 -6.912 -12.683 1.00 4.28 O ATOM 0 H TYR B 37 -2.854 -5.086 -5.362 1.00 0.24 H new ATOM 0 HA TYR B 37 -2.685 -7.969 -6.093 1.00 0.24 H new ATOM 0 HB2 TYR B 37 -4.289 -7.382 -7.553 1.00 0.31 H new ATOM 0 HB3 TYR B 37 -3.926 -5.670 -7.464 1.00 0.31 H new ATOM 0 HD1 TYR B 37 -3.086 -8.835 -9.152 1.00 2.07 H new ATOM 0 HD2 TYR B 37 -2.364 -4.638 -9.015 1.00 1.84 H new ATOM 0 HE1 TYR B 37 -2.026 -8.946 -11.362 1.00 3.02 H new ATOM 0 HE2 TYR B 37 -1.320 -4.744 -11.236 1.00 2.78 H new ATOM 0 HH TYR B 37 -0.738 -6.016 -12.952 1.00 4.28 H new ATOM 1513 N VAL B 38 -0.426 -7.515 -7.262 1.00 0.21 N ATOM 1514 CA VAL B 38 1.021 -7.421 -7.371 1.00 0.20 C ATOM 1515 C VAL B 38 1.453 -7.146 -8.809 1.00 0.20 C ATOM 1516 O VAL B 38 0.876 -7.680 -9.759 1.00 0.26 O ATOM 1517 CB VAL B 38 1.716 -8.694 -6.842 1.00 0.23 C ATOM 1518 CG1 VAL B 38 1.454 -9.891 -7.746 1.00 0.28 C ATOM 1519 CG2 VAL B 38 3.206 -8.442 -6.682 1.00 0.21 C ATOM 0 H VAL B 38 -0.844 -8.299 -7.763 1.00 0.21 H new ATOM 0 HA VAL B 38 1.331 -6.581 -6.750 1.00 0.20 H new ATOM 0 HB VAL B 38 1.295 -8.934 -5.866 1.00 0.23 H new ATOM 0 HG11 VAL B 38 1.959 -10.769 -7.343 1.00 0.28 H new ATOM 0 HG12 VAL B 38 0.382 -10.080 -7.797 1.00 0.28 H new ATOM 0 HG13 VAL B 38 1.834 -9.682 -8.746 1.00 0.28 H new ATOM 0 HG21 VAL B 38 3.690 -9.345 -6.308 1.00 0.21 H new ATOM 0 HG22 VAL B 38 3.635 -8.173 -7.647 1.00 0.21 H new ATOM 0 HG23 VAL B 38 3.363 -7.627 -5.975 1.00 0.21 H new ATOM 1529 N ASP B 39 2.462 -6.300 -8.963 1.00 0.18 N ATOM 1530 CA ASP B 39 2.986 -5.961 -10.281 1.00 0.22 C ATOM 1531 C ASP B 39 4.503 -6.087 -10.275 1.00 0.26 C ATOM 1532 O ASP B 39 5.229 -5.097 -10.144 1.00 0.29 O ATOM 1533 CB ASP B 39 2.556 -4.546 -10.697 1.00 0.24 C ATOM 1534 CG ASP B 39 2.921 -4.218 -12.133 1.00 0.39 C ATOM 1535 OD1 ASP B 39 2.441 -4.923 -13.048 1.00 1.12 O ATOM 1536 OD2 ASP B 39 3.666 -3.244 -12.357 1.00 1.07 O ATOM 0 H ASP B 39 2.936 -5.834 -8.189 1.00 0.18 H new ATOM 0 HA ASP B 39 2.576 -6.657 -11.013 1.00 0.22 H new ATOM 0 HB2 ASP B 39 1.478 -4.447 -10.569 1.00 0.24 H new ATOM 0 HB3 ASP B 39 3.024 -3.819 -10.033 1.00 0.24 H new ATOM 1541 N ASP B 40 4.954 -7.336 -10.378 1.00 0.30 N ATOM 1542 CA ASP B 40 6.372 -7.712 -10.287 1.00 0.36 C ATOM 1543 C ASP B 40 6.945 -7.374 -8.917 1.00 0.39 C ATOM 1544 O ASP B 40 7.117 -8.250 -8.072 1.00 0.46 O ATOM 1545 CB ASP B 40 7.225 -7.038 -11.365 1.00 0.48 C ATOM 1546 CG ASP B 40 8.284 -7.974 -11.911 1.00 0.92 C ATOM 1547 OD1 ASP B 40 9.392 -8.024 -11.337 1.00 1.59 O ATOM 1548 OD2 ASP B 40 8.011 -8.668 -12.915 1.00 1.64 O ATOM 0 H ASP B 40 4.336 -8.133 -10.530 1.00 0.30 H new ATOM 0 HA ASP B 40 6.409 -8.790 -10.444 1.00 0.36 H new ATOM 0 HB2 ASP B 40 6.583 -6.701 -12.179 1.00 0.48 H new ATOM 0 HB3 ASP B 40 7.703 -6.151 -10.949 1.00 0.48 H new ATOM 1553 N GLU B 41 7.241 -6.099 -8.714 1.00 0.45 N ATOM 1554 CA GLU B 41 7.840 -5.628 -7.475 1.00 0.58 C ATOM 1555 C GLU B 41 7.046 -4.453 -6.914 1.00 0.41 C ATOM 1556 O GLU B 41 7.243 -4.043 -5.770 1.00 0.46 O ATOM 1557 CB GLU B 41 9.287 -5.218 -7.721 1.00 0.87 C ATOM 1558 CG GLU B 41 10.070 -6.263 -8.491 1.00 1.33 C ATOM 1559 CD GLU B 41 11.541 -5.937 -8.593 1.00 1.98 C ATOM 1560 OE1 GLU B 41 12.286 -6.253 -7.644 1.00 2.81 O ATOM 1561 OE2 GLU B 41 11.958 -5.373 -9.627 1.00 2.10 O ATOM 0 H GLU B 41 7.073 -5.364 -9.401 1.00 0.45 H new ATOM 0 HA GLU B 41 7.821 -6.437 -6.745 1.00 0.58 H new ATOM 0 HB2 GLU B 41 9.305 -4.278 -8.272 1.00 0.87 H new ATOM 0 HB3 GLU B 41 9.776 -5.036 -6.764 1.00 0.87 H new ATOM 0 HG2 GLU B 41 9.950 -7.231 -8.005 1.00 1.33 H new ATOM 0 HG3 GLU B 41 9.653 -6.356 -9.494 1.00 1.33 H new ATOM 1568 N LYS B 42 6.172 -3.895 -7.737 1.00 0.34 N ATOM 1569 CA LYS B 42 5.278 -2.842 -7.298 1.00 0.31 C ATOM 1570 C LYS B 42 4.039 -3.451 -6.667 1.00 0.24 C ATOM 1571 O LYS B 42 3.558 -4.500 -7.102 1.00 0.27 O ATOM 1572 CB LYS B 42 4.865 -1.963 -8.471 1.00 0.44 C ATOM 1573 CG LYS B 42 6.029 -1.369 -9.242 1.00 0.84 C ATOM 1574 CD LYS B 42 5.695 -1.244 -10.718 1.00 0.92 C ATOM 1575 CE LYS B 42 4.421 -0.445 -10.957 1.00 0.48 C ATOM 1576 NZ LYS B 42 3.939 -0.612 -12.350 1.00 0.98 N ATOM 0 H LYS B 42 6.065 -4.157 -8.717 1.00 0.34 H new ATOM 0 HA LYS B 42 5.802 -2.229 -6.565 1.00 0.31 H new ATOM 0 HB2 LYS B 42 4.254 -2.552 -9.155 1.00 0.44 H new ATOM 0 HB3 LYS B 42 4.238 -1.152 -8.100 1.00 0.44 H new ATOM 0 HG2 LYS B 42 6.276 -0.388 -8.837 1.00 0.84 H new ATOM 0 HG3 LYS B 42 6.911 -1.997 -9.117 1.00 0.84 H new ATOM 0 HD2 LYS B 42 6.525 -0.764 -11.237 1.00 0.92 H new ATOM 0 HD3 LYS B 42 5.583 -2.239 -11.148 1.00 0.92 H new ATOM 0 HE2 LYS B 42 3.648 -0.770 -10.260 1.00 0.48 H new ATOM 0 HE3 LYS B 42 4.607 0.610 -10.757 1.00 0.48 H new ATOM 0 HZ1 LYS B 42 3.043 -0.098 -12.471 1.00 0.98 H new ATOM 0 HZ2 LYS B 42 4.647 -0.233 -13.010 1.00 0.98 H new ATOM 0 HZ3 LYS B 42 3.788 -1.622 -12.546 1.00 0.98 H new ATOM 1590 N ILE B 43 3.539 -2.799 -5.641 1.00 0.20 N ATOM 1591 CA ILE B 43 2.337 -3.235 -4.969 1.00 0.19 C ATOM 1592 C ILE B 43 1.185 -2.333 -5.384 1.00 0.18 C ATOM 1593 O ILE B 43 1.320 -1.109 -5.385 1.00 0.20 O ATOM 1594 CB ILE B 43 2.522 -3.189 -3.444 1.00 0.24 C ATOM 1595 CG1 ILE B 43 3.815 -3.913 -3.058 1.00 0.31 C ATOM 1596 CG2 ILE B 43 1.327 -3.829 -2.756 1.00 0.28 C ATOM 1597 CD1 ILE B 43 4.304 -3.591 -1.666 1.00 0.42 C ATOM 0 H ILE B 43 3.954 -1.953 -5.250 1.00 0.20 H new ATOM 0 HA ILE B 43 2.120 -4.265 -5.252 1.00 0.19 H new ATOM 0 HB ILE B 43 2.592 -2.150 -3.121 1.00 0.24 H new ATOM 0 HG12 ILE B 43 3.655 -4.988 -3.137 1.00 0.31 H new ATOM 0 HG13 ILE B 43 4.594 -3.653 -3.775 1.00 0.31 H new ATOM 0 HG21 ILE B 43 1.466 -3.792 -1.676 1.00 0.28 H new ATOM 0 HG22 ILE B 43 0.420 -3.287 -3.024 1.00 0.28 H new ATOM 0 HG23 ILE B 43 1.237 -4.867 -3.075 1.00 0.28 H new ATOM 0 HD11 ILE B 43 5.223 -4.142 -1.467 1.00 0.42 H new ATOM 0 HD12 ILE B 43 4.497 -2.521 -1.587 1.00 0.42 H new ATOM 0 HD13 ILE B 43 3.545 -3.877 -0.938 1.00 0.42 H new ATOM 1609 N ILE B 44 0.064 -2.934 -5.743 1.00 0.17 N ATOM 1610 CA ILE B 44 -1.054 -2.191 -6.311 1.00 0.17 C ATOM 1611 C ILE B 44 -2.287 -2.363 -5.446 1.00 0.18 C ATOM 1612 O ILE B 44 -2.879 -3.433 -5.423 1.00 0.24 O ATOM 1613 CB ILE B 44 -1.400 -2.667 -7.741 1.00 0.21 C ATOM 1614 CG1 ILE B 44 -0.133 -2.871 -8.583 1.00 0.25 C ATOM 1615 CG2 ILE B 44 -2.340 -1.669 -8.413 1.00 0.25 C ATOM 1616 CD1 ILE B 44 0.686 -1.618 -8.791 1.00 0.25 C ATOM 0 H ILE B 44 -0.099 -3.937 -5.652 1.00 0.17 H new ATOM 0 HA ILE B 44 -0.751 -1.145 -6.351 1.00 0.17 H new ATOM 0 HB ILE B 44 -1.904 -3.631 -7.667 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.492 -3.623 -8.101 1.00 0.25 H new ATOM 0 HG13 ILE B 44 -0.418 -3.270 -9.556 1.00 0.25 H new ATOM 0 HG21 ILE B 44 -2.577 -2.014 -9.419 1.00 0.25 H new ATOM 0 HG22 ILE B 44 -3.258 -1.586 -7.832 1.00 0.25 H new ATOM 0 HG23 ILE B 44 -1.856 -0.694 -8.468 1.00 0.25 H new ATOM 0 HD11 ILE B 44 1.562 -1.852 -9.396 1.00 0.25 H new ATOM 0 HD12 ILE B 44 0.082 -0.869 -9.303 1.00 0.25 H new ATOM 0 HD13 ILE B 44 1.006 -1.228 -7.825 1.00 0.25 H new ATOM 1628 N LEU B 45 -2.689 -1.324 -4.744 1.00 0.19 N ATOM 1629 CA LEU B 45 -3.844 -1.429 -3.870 1.00 0.20 C ATOM 1630 C LEU B 45 -4.931 -0.467 -4.304 1.00 0.21 C ATOM 1631 O LEU B 45 -4.801 0.746 -4.170 1.00 0.29 O ATOM 1632 CB LEU B 45 -3.489 -1.191 -2.396 1.00 0.36 C ATOM 1633 CG LEU B 45 -2.209 -0.398 -2.124 1.00 0.43 C ATOM 1634 CD1 LEU B 45 -2.239 0.168 -0.723 1.00 1.29 C ATOM 1635 CD2 LEU B 45 -0.984 -1.281 -2.286 1.00 1.22 C ATOM 0 H LEU B 45 -2.242 -0.407 -4.759 1.00 0.19 H new ATOM 0 HA LEU B 45 -4.211 -2.452 -3.956 1.00 0.20 H new ATOM 0 HB2 LEU B 45 -4.321 -0.669 -1.924 1.00 0.36 H new ATOM 0 HB3 LEU B 45 -3.401 -2.160 -1.905 1.00 0.36 H new ATOM 0 HG LEU B 45 -2.153 0.417 -2.846 1.00 0.43 H new ATOM 0 HD11 LEU B 45 -1.324 0.731 -0.538 1.00 1.29 H new ATOM 0 HD12 LEU B 45 -3.099 0.829 -0.616 1.00 1.29 H new ATOM 0 HD13 LEU B 45 -2.315 -0.647 -0.003 1.00 1.29 H new ATOM 0 HD21 LEU B 45 -0.085 -0.697 -2.088 1.00 1.22 H new ATOM 0 HD22 LEU B 45 -1.039 -2.112 -1.583 1.00 1.22 H new ATOM 0 HD23 LEU B 45 -0.947 -1.669 -3.304 1.00 1.22 H new ATOM 1647 N LYS B 46 -5.988 -1.026 -4.846 1.00 0.20 N ATOM 1648 CA LYS B 46 -7.175 -0.274 -5.193 1.00 0.25 C ATOM 1649 C LYS B 46 -8.100 -0.290 -3.993 1.00 0.29 C ATOM 1650 O LYS B 46 -7.983 -1.165 -3.159 1.00 0.52 O ATOM 1651 CB LYS B 46 -7.845 -0.931 -6.404 1.00 0.31 C ATOM 1652 CG LYS B 46 -9.190 -0.349 -6.787 1.00 0.63 C ATOM 1653 CD LYS B 46 -9.951 -1.332 -7.647 1.00 0.65 C ATOM 1654 CE LYS B 46 -10.324 -2.562 -6.836 1.00 0.97 C ATOM 1655 NZ LYS B 46 -11.049 -3.579 -7.639 1.00 1.22 N ATOM 0 H LYS B 46 -6.050 -2.021 -5.060 1.00 0.20 H new ATOM 0 HA LYS B 46 -6.930 0.756 -5.452 1.00 0.25 H new ATOM 0 HB2 LYS B 46 -7.174 -0.850 -7.259 1.00 0.31 H new ATOM 0 HB3 LYS B 46 -7.972 -1.994 -6.198 1.00 0.31 H new ATOM 0 HG2 LYS B 46 -9.764 -0.117 -5.890 1.00 0.63 H new ATOM 0 HG3 LYS B 46 -9.050 0.587 -7.327 1.00 0.63 H new ATOM 0 HD2 LYS B 46 -10.851 -0.860 -8.041 1.00 0.65 H new ATOM 0 HD3 LYS B 46 -9.343 -1.623 -8.504 1.00 0.65 H new ATOM 0 HE2 LYS B 46 -9.419 -3.008 -6.423 1.00 0.97 H new ATOM 0 HE3 LYS B 46 -10.945 -2.261 -5.992 1.00 0.97 H new ATOM 0 HZ1 LYS B 46 -11.145 -4.454 -7.086 1.00 1.22 H new ATOM 0 HZ2 LYS B 46 -11.993 -3.219 -7.884 1.00 1.22 H new ATOM 0 HZ3 LYS B 46 -10.517 -3.777 -8.510 1.00 1.22 H new ATOM 1669 N LYS B 47 -8.981 0.675 -3.874 1.00 0.23 N ATOM 1670 CA LYS B 47 -9.982 0.624 -2.811 1.00 0.25 C ATOM 1671 C LYS B 47 -10.887 -0.588 -3.026 1.00 0.26 C ATOM 1672 O LYS B 47 -10.967 -1.124 -4.132 1.00 0.28 O ATOM 1673 CB LYS B 47 -10.832 1.903 -2.781 1.00 0.31 C ATOM 1674 CG LYS B 47 -11.758 2.049 -3.983 1.00 1.18 C ATOM 1675 CD LYS B 47 -12.721 3.212 -3.814 1.00 1.15 C ATOM 1676 CE LYS B 47 -13.829 3.160 -4.855 1.00 2.19 C ATOM 1677 NZ LYS B 47 -13.321 3.395 -6.234 1.00 2.50 N ATOM 0 H LYS B 47 -9.034 1.493 -4.481 1.00 0.23 H new ATOM 0 HA LYS B 47 -9.464 0.540 -1.856 1.00 0.25 H new ATOM 0 HB2 LYS B 47 -11.430 1.911 -1.870 1.00 0.31 H new ATOM 0 HB3 LYS B 47 -10.170 2.768 -2.736 1.00 0.31 H new ATOM 0 HG2 LYS B 47 -11.163 2.197 -4.884 1.00 1.18 H new ATOM 0 HG3 LYS B 47 -12.322 1.127 -4.122 1.00 1.18 H new ATOM 0 HD2 LYS B 47 -13.155 3.187 -2.815 1.00 1.15 H new ATOM 0 HD3 LYS B 47 -12.179 4.153 -3.902 1.00 1.15 H new ATOM 0 HE2 LYS B 47 -14.319 2.188 -4.812 1.00 2.19 H new ATOM 0 HE3 LYS B 47 -14.584 3.909 -4.616 1.00 2.19 H new ATOM 0 HZ1 LYS B 47 -14.049 3.120 -6.924 1.00 2.50 H new ATOM 0 HZ2 LYS B 47 -13.094 4.403 -6.353 1.00 2.50 H new ATOM 0 HZ3 LYS B 47 -12.464 2.826 -6.390 1.00 2.50 H new ATOM 1691 N TYR B 48 -11.557 -1.016 -1.969 1.00 0.33 N ATOM 1692 CA TYR B 48 -12.478 -2.134 -2.053 1.00 0.40 C ATOM 1693 C TYR B 48 -13.586 -1.825 -3.060 1.00 0.51 C ATOM 1694 O TYR B 48 -13.947 -0.662 -3.263 1.00 0.62 O ATOM 1695 CB TYR B 48 -13.093 -2.387 -0.669 1.00 0.54 C ATOM 1696 CG TYR B 48 -14.126 -1.351 -0.270 1.00 1.10 C ATOM 1697 CD1 TYR B 48 -13.754 -0.042 0.021 1.00 2.03 C ATOM 1698 CD2 TYR B 48 -15.475 -1.678 -0.206 1.00 1.59 C ATOM 1699 CE1 TYR B 48 -14.696 0.906 0.369 1.00 2.67 C ATOM 1700 CE2 TYR B 48 -16.422 -0.732 0.138 1.00 2.26 C ATOM 1701 CZ TYR B 48 -16.028 0.558 0.424 1.00 2.61 C ATOM 1702 OH TYR B 48 -16.969 1.504 0.766 1.00 3.39 O ATOM 0 H TYR B 48 -11.479 -0.603 -1.040 1.00 0.33 H new ATOM 0 HA TYR B 48 -11.939 -3.022 -2.383 1.00 0.40 H new ATOM 0 HB2 TYR B 48 -13.557 -3.373 -0.661 1.00 0.54 H new ATOM 0 HB3 TYR B 48 -12.298 -2.402 0.076 1.00 0.54 H new ATOM 0 HD1 TYR B 48 -12.712 0.237 -0.026 1.00 2.03 H new ATOM 0 HD2 TYR B 48 -15.788 -2.687 -0.429 1.00 1.59 H new ATOM 0 HE1 TYR B 48 -14.390 1.916 0.597 1.00 2.67 H new ATOM 0 HE2 TYR B 48 -17.467 -1.002 0.183 1.00 2.26 H new ATOM 0 HH TYR B 48 -17.860 1.097 0.757 1.00 3.39 H new