USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 SER OG : rot -20:sc= 0.00115 USER MOD Set 1.2: A 44 SER OG : rot -11:sc= -0.0438! USER MOD Single : A 4 THR OG1 : rot -10:sc= 0.815 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.89) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= -0.675 (180deg=-0.742) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.087) USER MOD Single : A 39 THR OG1 : rot -160:sc= -0.814 USER MOD Single : A 40 MET CE :methyl -141:sc= -0.109 (180deg=-0.836) USER MOD Single : A 43 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-0.54) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 30:sc= -2.55! USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -160:sc= -1.63 USER MOD Single : A 63 GLN : amide:sc= -0.0863 K(o=-0.086,f=-8.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-2.1) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.193 USER MOD Single : A 70 GLN : amide:sc= -0.0831 K(o=-0.083,f=-0.7) USER MOD Single : A 72 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.0119 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 2.590 4.209 -11.427 1.00 50.30 N ATOM 49 CA THR A 4 2.898 4.437 -12.833 1.00 74.03 C ATOM 50 C THR A 4 1.929 3.683 -13.737 1.00 71.20 C ATOM 51 O THR A 4 1.860 2.454 -13.700 1.00 71.11 O ATOM 52 CB THR A 4 4.338 4.006 -13.170 1.00 55.13 C ATOM 53 OG1 THR A 4 4.869 3.203 -12.111 1.00 4.35 O ATOM 54 CG2 THR A 4 5.228 5.220 -13.390 1.00 61.41 C ATOM 0 HA THR A 4 2.797 5.508 -13.009 1.00 74.03 H new ATOM 0 HB THR A 4 4.314 3.422 -14.090 1.00 55.13 H new ATOM 0 HG1 THR A 4 4.265 3.237 -11.340 1.00 4.35 H new ATOM 0 HG21 THR A 4 6.240 4.891 -13.627 1.00 61.41 H new ATOM 0 HG22 THR A 4 4.837 5.813 -14.217 1.00 61.41 H new ATOM 0 HG23 THR A 4 5.246 5.827 -12.485 1.00 61.41 H new ATOM 62 N ILE A 5 1.183 4.426 -14.548 1.00 22.22 N ATOM 63 CA ILE A 5 0.220 3.826 -15.462 1.00 72.05 C ATOM 64 C ILE A 5 0.917 3.220 -16.675 1.00 62.45 C ATOM 65 O ILE A 5 2.082 3.513 -16.947 1.00 3.13 O ATOM 66 CB ILE A 5 -0.818 4.858 -15.943 1.00 63.44 C ATOM 67 CG1 ILE A 5 -0.151 5.904 -16.838 1.00 52.44 C ATOM 68 CG2 ILE A 5 -1.494 5.523 -14.754 1.00 22.11 C ATOM 69 CD1 ILE A 5 -0.388 5.676 -18.315 1.00 10.12 C ATOM 0 H ILE A 5 1.227 5.444 -14.590 1.00 22.22 H new ATOM 0 HA ILE A 5 -0.292 3.038 -14.909 1.00 72.05 H new ATOM 0 HB ILE A 5 -1.580 4.341 -16.526 1.00 63.44 H new ATOM 0 HG12 ILE A 5 -0.523 6.892 -16.567 1.00 52.44 H new ATOM 0 HG13 ILE A 5 0.922 5.903 -16.646 1.00 52.44 H new ATOM 0 HG21 ILE A 5 -2.224 6.249 -15.110 1.00 22.11 H new ATOM 0 HG22 ILE A 5 -1.998 4.767 -14.152 1.00 22.11 H new ATOM 0 HG23 ILE A 5 -0.745 6.030 -14.146 1.00 22.11 H new ATOM 0 HD11 ILE A 5 0.114 6.455 -18.889 1.00 10.12 H new ATOM 0 HD12 ILE A 5 0.009 4.702 -18.601 1.00 10.12 H new ATOM 0 HD13 ILE A 5 -1.458 5.706 -18.521 1.00 10.12 H new ATOM 81 N LEU A 6 0.197 2.374 -17.403 1.00 73.35 N ATOM 82 CA LEU A 6 0.745 1.726 -18.590 1.00 41.53 C ATOM 83 C LEU A 6 -0.160 1.947 -19.798 1.00 60.11 C ATOM 84 O LEU A 6 0.316 2.130 -20.918 1.00 15.22 O ATOM 85 CB LEU A 6 0.926 0.228 -18.341 1.00 12.23 C ATOM 86 CG LEU A 6 2.086 -0.440 -19.079 1.00 24.14 C ATOM 87 CD1 LEU A 6 2.648 -1.592 -18.259 1.00 55.22 C ATOM 88 CD2 LEU A 6 1.638 -0.927 -20.449 1.00 14.22 C ATOM 0 H LEU A 6 -0.768 2.120 -17.192 1.00 73.35 H new ATOM 0 HA LEU A 6 1.717 2.172 -18.801 1.00 41.53 H new ATOM 0 HB2 LEU A 6 1.065 0.072 -17.271 1.00 12.23 H new ATOM 0 HB3 LEU A 6 0.003 -0.280 -18.620 1.00 12.23 H new ATOM 0 HG LEU A 6 2.875 0.299 -19.219 1.00 24.14 H new ATOM 0 HD11 LEU A 6 3.473 -2.055 -18.800 1.00 55.22 H new ATOM 0 HD12 LEU A 6 3.008 -1.215 -17.302 1.00 55.22 H new ATOM 0 HD13 LEU A 6 1.866 -2.332 -18.087 1.00 55.22 H new ATOM 0 HD21 LEU A 6 2.477 -1.400 -20.959 1.00 14.22 H new ATOM 0 HD22 LEU A 6 0.831 -1.650 -20.332 1.00 14.22 H new ATOM 0 HD23 LEU A 6 1.285 -0.081 -21.038 1.00 14.22 H new ATOM 100 N GLY A 7 -1.468 1.930 -19.562 1.00 34.31 N ATOM 101 CA GLY A 7 -2.419 2.131 -20.639 1.00 75.04 C ATOM 102 C GLY A 7 -3.151 3.454 -20.527 1.00 73.43 C ATOM 103 O GLY A 7 -3.471 3.902 -19.426 1.00 1.11 O ATOM 0 H GLY A 7 -1.886 1.781 -18.644 1.00 34.31 H new ATOM 0 HA2 GLY A 7 -1.896 2.089 -21.594 1.00 75.04 H new ATOM 0 HA3 GLY A 7 -3.144 1.317 -20.636 1.00 75.04 H new ATOM 107 N ILE A 8 -3.416 4.080 -21.669 1.00 2.33 N ATOM 108 CA ILE A 8 -4.114 5.360 -21.693 1.00 61.42 C ATOM 109 C ILE A 8 -5.281 5.330 -22.674 1.00 14.12 C ATOM 110 O ILE A 8 -5.203 4.700 -23.728 1.00 1.40 O ATOM 111 CB ILE A 8 -3.166 6.511 -22.076 1.00 45.11 C ATOM 112 CG1 ILE A 8 -3.932 7.834 -22.133 1.00 43.32 C ATOM 113 CG2 ILE A 8 -2.495 6.223 -23.411 1.00 3.21 C ATOM 114 CD1 ILE A 8 -3.068 9.017 -22.513 1.00 71.31 C ATOM 0 H ILE A 8 -3.158 3.722 -22.589 1.00 2.33 H new ATOM 0 HA ILE A 8 -4.493 5.532 -20.686 1.00 61.42 H new ATOM 0 HB ILE A 8 -2.392 6.594 -21.313 1.00 45.11 H new ATOM 0 HG12 ILE A 8 -4.746 7.743 -22.853 1.00 43.32 H new ATOM 0 HG13 ILE A 8 -4.386 8.024 -21.160 1.00 43.32 H new ATOM 0 HG21 ILE A 8 -1.828 7.046 -23.668 1.00 3.21 H new ATOM 0 HG22 ILE A 8 -1.921 5.300 -23.338 1.00 3.21 H new ATOM 0 HG23 ILE A 8 -3.255 6.117 -24.185 1.00 3.21 H new ATOM 0 HD11 ILE A 8 -3.677 9.921 -22.534 1.00 71.31 H new ATOM 0 HD12 ILE A 8 -2.269 9.134 -21.781 1.00 71.31 H new ATOM 0 HD13 ILE A 8 -2.634 8.849 -23.499 1.00 71.31 H new ATOM 126 N GLU A 9 -6.363 6.017 -22.319 1.00 3.21 N ATOM 127 CA GLU A 9 -7.546 6.070 -23.169 1.00 13.11 C ATOM 128 C GLU A 9 -8.083 7.495 -23.266 1.00 13.21 C ATOM 129 O GLU A 9 -8.344 8.143 -22.252 1.00 20.32 O ATOM 130 CB GLU A 9 -8.633 5.140 -22.626 1.00 71.32 C ATOM 131 CG GLU A 9 -8.892 3.928 -23.506 1.00 24.35 C ATOM 132 CD GLU A 9 -10.084 3.114 -23.042 1.00 15.40 C ATOM 133 OE1 GLU A 9 -10.296 3.017 -21.815 1.00 54.13 O ATOM 134 OE2 GLU A 9 -10.806 2.575 -23.907 1.00 14.40 O ATOM 0 H GLU A 9 -6.444 6.544 -21.449 1.00 3.21 H new ATOM 0 HA GLU A 9 -7.260 5.739 -24.167 1.00 13.11 H new ATOM 0 HB2 GLU A 9 -8.346 4.801 -21.631 1.00 71.32 H new ATOM 0 HB3 GLU A 9 -9.560 5.703 -22.516 1.00 71.32 H new ATOM 0 HG2 GLU A 9 -9.059 4.257 -24.532 1.00 24.35 H new ATOM 0 HG3 GLU A 9 -8.005 3.294 -23.515 1.00 24.35 H new ATOM 141 N VAL A 10 -8.246 7.978 -24.494 1.00 23.13 N ATOM 142 CA VAL A 10 -8.752 9.326 -24.725 1.00 22.44 C ATOM 143 C VAL A 10 -10.257 9.394 -24.493 1.00 51.45 C ATOM 144 O VAL A 10 -11.029 8.696 -25.150 1.00 40.15 O ATOM 145 CB VAL A 10 -8.441 9.804 -26.155 1.00 43.51 C ATOM 146 CG1 VAL A 10 -8.969 8.810 -27.178 1.00 2.20 C ATOM 147 CG2 VAL A 10 -9.027 11.188 -26.393 1.00 3.15 C ATOM 0 H VAL A 10 -8.035 7.456 -25.344 1.00 23.13 H new ATOM 0 HA VAL A 10 -8.248 9.981 -24.014 1.00 22.44 H new ATOM 0 HB VAL A 10 -7.359 9.867 -26.271 1.00 43.51 H new ATOM 0 HG11 VAL A 10 -8.740 9.165 -28.183 1.00 2.20 H new ATOM 0 HG12 VAL A 10 -8.498 7.840 -27.020 1.00 2.20 H new ATOM 0 HG13 VAL A 10 -10.049 8.711 -27.066 1.00 2.20 H new ATOM 0 HG21 VAL A 10 -8.798 11.510 -27.409 1.00 3.15 H new ATOM 0 HG22 VAL A 10 -10.108 11.153 -26.259 1.00 3.15 H new ATOM 0 HG23 VAL A 10 -8.595 11.893 -25.682 1.00 3.15 H new ATOM 157 N SER A 11 -10.668 10.242 -23.555 1.00 70.43 N ATOM 158 CA SER A 11 -12.082 10.400 -23.234 1.00 63.14 C ATOM 159 C SER A 11 -12.448 11.875 -23.106 1.00 4.44 C ATOM 160 O SER A 11 -13.289 12.247 -22.288 1.00 51.43 O ATOM 161 CB SER A 11 -12.417 9.664 -21.936 1.00 11.34 C ATOM 162 OG SER A 11 -12.571 8.274 -22.162 1.00 24.10 O ATOM 0 H SER A 11 -10.042 10.830 -23.004 1.00 70.43 H new ATOM 0 HA SER A 11 -12.665 9.969 -24.048 1.00 63.14 H new ATOM 0 HB2 SER A 11 -11.626 9.831 -21.205 1.00 11.34 H new ATOM 0 HB3 SER A 11 -13.335 10.070 -21.511 1.00 11.34 H new ATOM 0 HG SER A 11 -12.783 7.827 -21.316 1.00 24.10 H new ATOM 168 N GLN A 12 -11.809 12.710 -23.919 1.00 5.23 N ATOM 169 CA GLN A 12 -12.066 14.145 -23.896 1.00 2.35 C ATOM 170 C GLN A 12 -13.318 14.487 -24.697 1.00 23.12 C ATOM 171 O GLN A 12 -13.516 13.980 -25.800 1.00 53.55 O ATOM 172 CB GLN A 12 -10.864 14.909 -24.454 1.00 51.40 C ATOM 173 CG GLN A 12 -9.529 14.417 -23.920 1.00 4.42 C ATOM 174 CD GLN A 12 -8.691 15.533 -23.325 1.00 73.34 C ATOM 175 OE1 GLN A 12 -8.764 16.681 -23.765 1.00 24.32 O ATOM 176 NE2 GLN A 12 -7.890 15.200 -22.320 1.00 11.31 N ATOM 0 H GLN A 12 -11.110 12.418 -24.602 1.00 5.23 H new ATOM 0 HA GLN A 12 -12.227 14.443 -22.860 1.00 2.35 H new ATOM 0 HB2 GLN A 12 -10.864 14.826 -25.541 1.00 51.40 H new ATOM 0 HB3 GLN A 12 -10.974 15.967 -24.215 1.00 51.40 H new ATOM 0 HG2 GLN A 12 -9.704 13.655 -23.161 1.00 4.42 H new ATOM 0 HG3 GLN A 12 -8.972 13.941 -24.727 1.00 4.42 H new ATOM 0 HE21 GLN A 12 -7.862 14.236 -21.988 1.00 11.31 H new ATOM 0 HE22 GLN A 12 -7.303 15.908 -21.880 1.00 11.31 H new ATOM 185 N GLU A 13 -14.159 15.349 -24.133 1.00 24.50 N ATOM 186 CA GLU A 13 -15.392 15.756 -24.796 1.00 1.14 C ATOM 187 C GLU A 13 -15.258 17.160 -25.378 1.00 13.43 C ATOM 188 O GLU A 13 -14.477 17.985 -24.903 1.00 21.22 O ATOM 189 CB GLU A 13 -16.564 15.709 -23.814 1.00 34.44 C ATOM 190 CG GLU A 13 -17.520 14.553 -24.062 1.00 3.42 C ATOM 191 CD GLU A 13 -18.028 13.930 -22.776 1.00 64.13 C ATOM 192 OE1 GLU A 13 -17.195 13.601 -21.906 1.00 44.50 O ATOM 193 OE2 GLU A 13 -19.259 13.771 -22.641 1.00 21.30 O ATOM 0 H GLU A 13 -14.009 15.778 -23.220 1.00 24.50 H new ATOM 0 HA GLU A 13 -15.583 15.059 -25.612 1.00 1.14 H new ATOM 0 HB2 GLU A 13 -16.174 15.635 -22.799 1.00 34.44 H new ATOM 0 HB3 GLU A 13 -17.117 16.646 -23.876 1.00 34.44 H new ATOM 0 HG2 GLU A 13 -18.367 14.907 -24.649 1.00 3.42 H new ATOM 0 HG3 GLU A 13 -17.016 13.791 -24.656 1.00 3.42 H new ATOM 200 N PRO A 14 -16.039 17.440 -26.432 1.00 42.11 N ATOM 201 CA PRO A 14 -16.026 18.744 -27.102 1.00 75.34 C ATOM 202 C PRO A 14 -16.631 19.845 -26.239 1.00 1.44 C ATOM 203 O PRO A 14 -17.727 19.695 -25.699 1.00 73.21 O ATOM 204 CB PRO A 14 -16.884 18.510 -28.348 1.00 73.14 C ATOM 205 CG PRO A 14 -17.785 17.382 -27.982 1.00 33.52 C ATOM 206 CD PRO A 14 -16.994 16.505 -27.051 1.00 2.43 C ATOM 0 HA PRO A 14 -15.012 19.080 -27.322 1.00 75.34 H new ATOM 0 HB2 PRO A 14 -17.453 19.402 -28.610 1.00 73.14 H new ATOM 0 HB3 PRO A 14 -16.268 18.260 -29.212 1.00 73.14 H new ATOM 0 HG2 PRO A 14 -18.691 17.747 -27.498 1.00 33.52 H new ATOM 0 HG3 PRO A 14 -18.097 16.829 -28.868 1.00 33.52 H new ATOM 0 HD2 PRO A 14 -17.633 16.031 -26.306 1.00 2.43 H new ATOM 0 HD3 PRO A 14 -16.483 15.706 -27.588 1.00 2.43 H new ATOM 214 N LYS A 15 -15.909 20.954 -26.112 1.00 35.15 N ATOM 215 CA LYS A 15 -16.375 22.083 -25.315 1.00 23.13 C ATOM 216 C LYS A 15 -15.357 23.219 -25.334 1.00 61.14 C ATOM 217 O LYS A 15 -15.506 24.188 -26.079 1.00 75.34 O ATOM 218 CB LYS A 15 -16.635 21.643 -23.872 1.00 75.34 C ATOM 219 CG LYS A 15 -18.111 21.536 -23.526 1.00 44.13 C ATOM 220 CD LYS A 15 -18.494 22.499 -22.415 1.00 24.21 C ATOM 221 CE LYS A 15 -19.962 22.365 -22.043 1.00 54.34 C ATOM 222 NZ LYS A 15 -20.139 21.865 -20.652 1.00 74.31 N ATOM 0 H LYS A 15 -14.999 21.095 -26.551 1.00 35.15 H new ATOM 0 HA LYS A 15 -17.306 22.444 -25.752 1.00 23.13 H new ATOM 0 HB2 LYS A 15 -16.160 20.676 -23.704 1.00 75.34 H new ATOM 0 HB3 LYS A 15 -16.162 22.353 -23.194 1.00 75.34 H new ATOM 0 HG2 LYS A 15 -18.710 21.745 -24.413 1.00 44.13 H new ATOM 0 HG3 LYS A 15 -18.341 20.516 -23.220 1.00 44.13 H new ATOM 0 HD2 LYS A 15 -17.876 22.308 -21.537 1.00 24.21 H new ATOM 0 HD3 LYS A 15 -18.290 23.522 -22.732 1.00 24.21 H new ATOM 0 HE2 LYS A 15 -20.452 23.333 -22.146 1.00 54.34 H new ATOM 0 HE3 LYS A 15 -20.452 21.684 -22.739 1.00 54.34 H new ATOM 0 HZ1 LYS A 15 -21.154 21.788 -20.437 1.00 74.31 H new ATOM 0 HZ2 LYS A 15 -19.693 20.930 -20.560 1.00 74.31 H new ATOM 0 HZ3 LYS A 15 -19.694 22.528 -19.986 1.00 74.31 H new ATOM 236 N LYS A 16 -14.321 23.093 -24.512 1.00 42.22 N ATOM 237 CA LYS A 16 -13.276 24.107 -24.437 1.00 1.45 C ATOM 238 C LYS A 16 -13.816 25.476 -24.838 1.00 51.14 C ATOM 239 O LYS A 16 -13.338 26.086 -25.795 1.00 2.33 O ATOM 240 CB LYS A 16 -12.100 23.726 -25.339 1.00 53.21 C ATOM 241 CG LYS A 16 -12.516 22.988 -26.600 1.00 2.11 C ATOM 242 CD LYS A 16 -12.527 21.484 -26.387 1.00 61.42 C ATOM 243 CE LYS A 16 -12.722 20.737 -27.698 1.00 22.21 C ATOM 244 NZ LYS A 16 -12.363 19.297 -27.574 1.00 72.24 N ATOM 0 H LYS A 16 -14.183 22.298 -23.888 1.00 42.22 H new ATOM 0 HA LYS A 16 -12.931 24.161 -23.405 1.00 1.45 H new ATOM 0 HB2 LYS A 16 -11.559 24.630 -25.619 1.00 53.21 H new ATOM 0 HB3 LYS A 16 -11.407 23.102 -24.775 1.00 53.21 H new ATOM 0 HG2 LYS A 16 -13.508 23.320 -26.907 1.00 2.11 H new ATOM 0 HG3 LYS A 16 -11.831 23.237 -27.411 1.00 2.11 H new ATOM 0 HD2 LYS A 16 -11.589 21.174 -25.926 1.00 61.42 H new ATOM 0 HD3 LYS A 16 -13.326 21.219 -25.694 1.00 61.42 H new ATOM 0 HE2 LYS A 16 -13.761 20.826 -28.016 1.00 22.21 H new ATOM 0 HE3 LYS A 16 -12.110 21.198 -28.473 1.00 22.21 H new ATOM 0 HZ1 LYS A 16 -12.444 18.838 -28.504 1.00 72.24 H new ATOM 0 HZ2 LYS A 16 -11.385 19.211 -27.230 1.00 72.24 H new ATOM 0 HZ3 LYS A 16 -13.008 18.835 -26.902 1.00 72.24 H new ATOM 258 N ASP A 17 -14.813 25.953 -24.102 1.00 34.13 N ATOM 259 CA ASP A 17 -15.417 27.251 -24.380 1.00 2.00 C ATOM 260 C ASP A 17 -15.427 28.125 -23.130 1.00 23.14 C ATOM 261 O ASP A 17 -15.993 27.750 -22.103 1.00 15.43 O ATOM 262 CB ASP A 17 -16.843 27.073 -24.904 1.00 64.10 C ATOM 263 CG ASP A 17 -17.186 28.066 -25.996 1.00 53.53 C ATOM 264 OD1 ASP A 17 -17.023 29.282 -25.765 1.00 2.44 O ATOM 265 OD2 ASP A 17 -17.620 27.628 -27.083 1.00 3.13 O ATOM 0 H ASP A 17 -15.221 25.460 -23.307 1.00 34.13 H new ATOM 0 HA ASP A 17 -14.817 27.747 -25.143 1.00 2.00 H new ATOM 0 HB2 ASP A 17 -16.962 26.060 -25.288 1.00 64.10 H new ATOM 0 HB3 ASP A 17 -17.547 27.186 -24.079 1.00 64.10 H new ATOM 270 N TYR A 18 -14.795 29.290 -23.223 1.00 72.33 N ATOM 271 CA TYR A 18 -14.728 30.215 -22.099 1.00 11.42 C ATOM 272 C TYR A 18 -14.761 31.662 -22.581 1.00 40.35 C ATOM 273 O TYR A 18 -14.371 31.962 -23.711 1.00 74.40 O ATOM 274 CB TYR A 18 -13.459 29.967 -21.282 1.00 0.32 C ATOM 275 CG TYR A 18 -13.717 29.302 -19.949 1.00 13.33 C ATOM 276 CD1 TYR A 18 -13.725 27.918 -19.830 1.00 44.03 C ATOM 277 CD2 TYR A 18 -13.953 30.059 -18.807 1.00 71.32 C ATOM 278 CE1 TYR A 18 -13.961 27.306 -18.614 1.00 40.44 C ATOM 279 CE2 TYR A 18 -14.189 29.456 -17.587 1.00 21.42 C ATOM 280 CZ TYR A 18 -14.192 28.079 -17.496 1.00 14.43 C ATOM 281 OH TYR A 18 -14.427 27.474 -16.282 1.00 62.14 O ATOM 0 H TYR A 18 -14.322 29.616 -24.066 1.00 72.33 H new ATOM 0 HA TYR A 18 -15.599 30.042 -21.467 1.00 11.42 H new ATOM 0 HB2 TYR A 18 -12.779 29.345 -21.863 1.00 0.32 H new ATOM 0 HB3 TYR A 18 -12.955 30.918 -21.112 1.00 0.32 H new ATOM 0 HD1 TYR A 18 -13.544 27.310 -20.704 1.00 44.03 H new ATOM 0 HD2 TYR A 18 -13.952 31.137 -18.875 1.00 71.32 H new ATOM 0 HE1 TYR A 18 -13.965 26.229 -18.540 1.00 40.44 H new ATOM 0 HE2 TYR A 18 -14.370 30.059 -16.709 1.00 21.42 H new ATOM 0 HH TYR A 18 -14.570 28.160 -15.597 1.00 62.14 H new ATOM 291 N LEU A 19 -15.228 32.557 -21.717 1.00 71.44 N ATOM 292 CA LEU A 19 -15.312 33.974 -22.053 1.00 60.23 C ATOM 293 C LEU A 19 -14.293 34.783 -21.258 1.00 11.34 C ATOM 294 O LEU A 19 -13.795 34.332 -20.226 1.00 64.14 O ATOM 295 CB LEU A 19 -16.722 34.500 -21.782 1.00 35.12 C ATOM 296 CG LEU A 19 -17.392 33.997 -20.502 1.00 45.20 C ATOM 297 CD1 LEU A 19 -17.885 32.570 -20.683 1.00 12.21 C ATOM 298 CD2 LEU A 19 -16.429 34.085 -19.327 1.00 2.52 C ATOM 0 H LEU A 19 -15.554 32.326 -20.779 1.00 71.44 H new ATOM 0 HA LEU A 19 -15.088 34.085 -23.114 1.00 60.23 H new ATOM 0 HB2 LEU A 19 -16.681 35.589 -21.743 1.00 35.12 H new ATOM 0 HB3 LEU A 19 -17.356 34.235 -22.628 1.00 35.12 H new ATOM 0 HG LEU A 19 -18.252 34.633 -20.291 1.00 45.20 H new ATOM 0 HD11 LEU A 19 -18.359 32.229 -19.762 1.00 12.21 H new ATOM 0 HD12 LEU A 19 -18.608 32.536 -21.498 1.00 12.21 H new ATOM 0 HD13 LEU A 19 -17.042 31.921 -20.919 1.00 12.21 H new ATOM 0 HD21 LEU A 19 -16.922 33.723 -18.425 1.00 2.52 H new ATOM 0 HD22 LEU A 19 -15.550 33.473 -19.530 1.00 2.52 H new ATOM 0 HD23 LEU A 19 -16.124 35.122 -19.183 1.00 2.52 H new ATOM 310 N VAL A 20 -13.989 35.983 -21.743 1.00 13.15 N ATOM 311 CA VAL A 20 -13.032 36.858 -21.075 1.00 75.41 C ATOM 312 C VAL A 20 -13.377 37.024 -19.599 1.00 65.22 C ATOM 313 O VAL A 20 -14.547 37.108 -19.229 1.00 61.44 O ATOM 314 CB VAL A 20 -12.983 38.247 -21.739 1.00 74.51 C ATOM 315 CG1 VAL A 20 -12.587 38.125 -23.203 1.00 1.25 C ATOM 316 CG2 VAL A 20 -14.324 38.952 -21.598 1.00 61.40 C ATOM 0 H VAL A 20 -14.391 36.371 -22.596 1.00 13.15 H new ATOM 0 HA VAL A 20 -12.054 36.386 -21.166 1.00 75.41 H new ATOM 0 HB VAL A 20 -12.228 38.847 -21.232 1.00 74.51 H new ATOM 0 HG11 VAL A 20 -12.558 39.116 -23.656 1.00 1.25 H new ATOM 0 HG12 VAL A 20 -11.602 37.663 -23.276 1.00 1.25 H new ATOM 0 HG13 VAL A 20 -13.317 37.508 -23.727 1.00 1.25 H new ATOM 0 HG21 VAL A 20 -14.272 39.932 -22.073 1.00 61.40 H new ATOM 0 HG22 VAL A 20 -15.100 38.357 -22.079 1.00 61.40 H new ATOM 0 HG23 VAL A 20 -14.562 39.073 -20.541 1.00 61.40 H new ATOM 326 N GLY A 21 -12.347 37.071 -18.759 1.00 12.53 N ATOM 327 CA GLY A 21 -12.561 37.228 -17.332 1.00 12.01 C ATOM 328 C GLY A 21 -12.286 35.952 -16.561 1.00 12.20 C ATOM 329 O GLY A 21 -11.984 35.993 -15.368 1.00 72.42 O ATOM 0 H GLY A 21 -11.369 37.003 -19.041 1.00 12.53 H new ATOM 0 HA2 GLY A 21 -11.916 38.022 -16.956 1.00 12.01 H new ATOM 0 HA3 GLY A 21 -13.590 37.542 -17.154 1.00 12.01 H new ATOM 333 N ASP A 22 -12.392 34.817 -17.242 1.00 72.23 N ATOM 334 CA ASP A 22 -12.153 33.523 -16.614 1.00 32.32 C ATOM 335 C ASP A 22 -10.968 32.814 -17.262 1.00 50.23 C ATOM 336 O ASP A 22 -10.384 31.900 -16.680 1.00 53.21 O ATOM 337 CB ASP A 22 -13.403 32.646 -16.711 1.00 2.11 C ATOM 338 CG ASP A 22 -14.436 32.991 -15.656 1.00 44.41 C ATOM 339 OD1 ASP A 22 -14.104 32.918 -14.455 1.00 25.23 O ATOM 340 OD2 ASP A 22 -15.576 33.334 -16.032 1.00 53.50 O ATOM 0 H ASP A 22 -12.642 34.767 -18.230 1.00 72.23 H new ATOM 0 HA ASP A 22 -11.920 33.695 -15.563 1.00 32.32 H new ATOM 0 HB2 ASP A 22 -13.847 32.759 -17.700 1.00 2.11 H new ATOM 0 HB3 ASP A 22 -13.118 31.599 -16.607 1.00 2.11 H new ATOM 345 N SER A 23 -10.619 33.242 -18.471 1.00 62.24 N ATOM 346 CA SER A 23 -9.506 32.645 -19.201 1.00 54.14 C ATOM 347 C SER A 23 -9.787 31.179 -19.515 1.00 61.43 C ATOM 348 O SER A 23 -10.647 30.552 -18.895 1.00 55.32 O ATOM 349 CB SER A 23 -8.214 32.767 -18.392 1.00 62.02 C ATOM 350 OG SER A 23 -7.077 32.714 -19.236 1.00 62.12 O ATOM 0 H SER A 23 -11.090 33.999 -18.966 1.00 62.24 H new ATOM 0 HA SER A 23 -9.389 33.184 -20.141 1.00 54.14 H new ATOM 0 HB2 SER A 23 -8.216 33.705 -17.837 1.00 62.02 H new ATOM 0 HB3 SER A 23 -8.164 31.963 -17.658 1.00 62.02 H new ATOM 0 HG SER A 23 -6.264 32.796 -18.695 1.00 62.12 H new ATOM 356 N LEU A 24 -9.055 30.637 -20.482 1.00 63.22 N ATOM 357 CA LEU A 24 -9.223 29.243 -20.880 1.00 52.41 C ATOM 358 C LEU A 24 -9.160 28.320 -19.668 1.00 60.51 C ATOM 359 O LEU A 24 -8.229 28.394 -18.866 1.00 0.20 O ATOM 360 CB LEU A 24 -8.148 28.848 -21.894 1.00 3.34 C ATOM 361 CG LEU A 24 -8.650 28.418 -23.272 1.00 52.12 C ATOM 362 CD1 LEU A 24 -7.492 28.308 -24.252 1.00 33.01 C ATOM 363 CD2 LEU A 24 -9.399 27.097 -23.178 1.00 74.14 C ATOM 0 H LEU A 24 -8.339 31.141 -21.005 1.00 63.22 H new ATOM 0 HA LEU A 24 -10.205 29.138 -21.342 1.00 52.41 H new ATOM 0 HB2 LEU A 24 -7.471 29.693 -22.023 1.00 3.34 H new ATOM 0 HB3 LEU A 24 -7.562 28.032 -21.472 1.00 3.34 H new ATOM 0 HG LEU A 24 -9.339 29.178 -23.640 1.00 52.12 H new ATOM 0 HD11 LEU A 24 -7.869 28.001 -25.228 1.00 33.01 H new ATOM 0 HD12 LEU A 24 -6.998 29.276 -24.342 1.00 33.01 H new ATOM 0 HD13 LEU A 24 -6.778 27.569 -23.890 1.00 33.01 H new ATOM 0 HD21 LEU A 24 -9.749 26.806 -24.168 1.00 74.14 H new ATOM 0 HD22 LEU A 24 -8.732 26.328 -22.788 1.00 74.14 H new ATOM 0 HD23 LEU A 24 -10.253 27.210 -22.510 1.00 74.14 H new ATOM 375 N ASP A 25 -10.155 27.448 -19.543 1.00 3.14 N ATOM 376 CA ASP A 25 -10.211 26.507 -18.430 1.00 62.32 C ATOM 377 C ASP A 25 -11.077 25.301 -18.782 1.00 10.23 C ATOM 378 O ASP A 25 -12.059 25.008 -18.098 1.00 1.30 O ATOM 379 CB ASP A 25 -10.757 27.195 -17.179 1.00 1.35 C ATOM 380 CG ASP A 25 -10.173 26.624 -15.902 1.00 21.53 C ATOM 381 OD1 ASP A 25 -8.942 26.722 -15.716 1.00 3.33 O ATOM 382 OD2 ASP A 25 -10.947 26.078 -15.088 1.00 20.00 O ATOM 0 H ASP A 25 -10.933 27.373 -20.198 1.00 3.14 H new ATOM 0 HA ASP A 25 -9.198 26.158 -18.230 1.00 62.32 H new ATOM 0 HB2 ASP A 25 -10.538 28.262 -17.230 1.00 1.35 H new ATOM 0 HB3 ASP A 25 -11.842 27.093 -17.156 1.00 1.35 H new ATOM 387 N LEU A 26 -10.708 24.606 -19.852 1.00 12.10 N ATOM 388 CA LEU A 26 -11.452 23.432 -20.296 1.00 10.24 C ATOM 389 C LEU A 26 -11.685 22.466 -19.139 1.00 21.14 C ATOM 390 O LEU A 26 -10.769 22.165 -18.374 1.00 5.43 O ATOM 391 CB LEU A 26 -10.700 22.724 -21.423 1.00 62.44 C ATOM 392 CG LEU A 26 -11.160 21.302 -21.747 1.00 63.31 C ATOM 393 CD1 LEU A 26 -12.512 21.323 -22.442 1.00 13.40 C ATOM 394 CD2 LEU A 26 -10.127 20.590 -22.609 1.00 2.32 C ATOM 0 H LEU A 26 -9.898 24.835 -20.428 1.00 12.10 H new ATOM 0 HA LEU A 26 -12.421 23.765 -20.668 1.00 10.24 H new ATOM 0 HB2 LEU A 26 -10.788 23.328 -22.326 1.00 62.44 H new ATOM 0 HB3 LEU A 26 -9.642 22.692 -21.163 1.00 62.44 H new ATOM 0 HG LEU A 26 -11.264 20.753 -20.811 1.00 63.31 H new ATOM 0 HD11 LEU A 26 -12.823 20.302 -22.665 1.00 13.40 H new ATOM 0 HD12 LEU A 26 -13.249 21.793 -21.790 1.00 13.40 H new ATOM 0 HD13 LEU A 26 -12.435 21.889 -23.370 1.00 13.40 H new ATOM 0 HD21 LEU A 26 -10.471 19.580 -22.830 1.00 2.32 H new ATOM 0 HD22 LEU A 26 -9.991 21.138 -23.541 1.00 2.32 H new ATOM 0 HD23 LEU A 26 -9.178 20.541 -22.074 1.00 2.32 H new ATOM 406 N SER A 27 -12.917 21.981 -19.018 1.00 64.22 N ATOM 407 CA SER A 27 -13.271 21.049 -17.954 1.00 4.33 C ATOM 408 C SER A 27 -13.989 19.827 -18.518 1.00 14.52 C ATOM 409 O SER A 27 -14.414 18.945 -17.772 1.00 42.42 O ATOM 410 CB SER A 27 -14.155 21.741 -16.915 1.00 13.21 C ATOM 411 OG SER A 27 -13.630 21.580 -15.609 1.00 3.32 O ATOM 0 H SER A 27 -13.687 22.218 -19.644 1.00 64.22 H new ATOM 0 HA SER A 27 -12.350 20.717 -17.474 1.00 4.33 H new ATOM 0 HB2 SER A 27 -14.234 22.802 -17.150 1.00 13.21 H new ATOM 0 HB3 SER A 27 -15.163 21.329 -16.958 1.00 13.21 H new ATOM 0 HG SER A 27 -13.019 20.814 -15.594 1.00 3.32 H new ATOM 417 N GLU A 28 -14.122 19.784 -19.840 1.00 4.51 N ATOM 418 CA GLU A 28 -14.790 18.672 -20.504 1.00 62.42 C ATOM 419 C GLU A 28 -13.774 17.739 -21.157 1.00 60.41 C ATOM 420 O GLU A 28 -14.081 16.589 -21.468 1.00 72.40 O ATOM 421 CB GLU A 28 -15.771 19.192 -21.557 1.00 20.12 C ATOM 422 CG GLU A 28 -17.192 19.344 -21.041 1.00 52.44 C ATOM 423 CD GLU A 28 -18.139 18.315 -21.628 1.00 1.14 C ATOM 424 OE1 GLU A 28 -17.801 17.113 -21.599 1.00 50.45 O ATOM 425 OE2 GLU A 28 -19.218 18.712 -22.114 1.00 54.23 O ATOM 0 H GLU A 28 -13.776 20.506 -20.472 1.00 4.51 H new ATOM 0 HA GLU A 28 -15.342 18.111 -19.750 1.00 62.42 H new ATOM 0 HB2 GLU A 28 -15.421 20.157 -21.923 1.00 20.12 H new ATOM 0 HB3 GLU A 28 -15.773 18.511 -22.408 1.00 20.12 H new ATOM 0 HG2 GLU A 28 -17.192 19.254 -19.955 1.00 52.44 H new ATOM 0 HG3 GLU A 28 -17.556 20.344 -21.278 1.00 52.44 H new ATOM 432 N GLY A 29 -12.561 18.244 -21.362 1.00 73.14 N ATOM 433 CA GLY A 29 -11.519 17.444 -21.978 1.00 24.45 C ATOM 434 C GLY A 29 -10.718 16.654 -20.961 1.00 71.10 C ATOM 435 O GLY A 29 -9.598 17.030 -20.615 1.00 12.30 O ATOM 0 H GLY A 29 -12.282 19.193 -21.112 1.00 73.14 H new ATOM 0 HA2 GLY A 29 -11.968 16.757 -22.695 1.00 24.45 H new ATOM 0 HA3 GLY A 29 -10.848 18.095 -22.538 1.00 24.45 H new ATOM 439 N ARG A 30 -11.294 15.557 -20.480 1.00 65.32 N ATOM 440 CA ARG A 30 -10.627 14.714 -19.495 1.00 32.41 C ATOM 441 C ARG A 30 -10.228 13.374 -20.107 1.00 35.25 C ATOM 442 O ARG A 30 -10.843 12.911 -21.068 1.00 45.11 O ATOM 443 CB ARG A 30 -11.539 14.484 -18.288 1.00 53.33 C ATOM 444 CG ARG A 30 -12.720 13.573 -18.582 1.00 10.32 C ATOM 445 CD ARG A 30 -14.044 14.281 -18.339 1.00 3.30 C ATOM 446 NE ARG A 30 -15.186 13.437 -18.679 1.00 12.41 N ATOM 447 CZ ARG A 30 -15.647 12.472 -17.891 1.00 62.13 C ATOM 448 NH1 ARG A 30 -15.066 12.230 -16.725 1.00 25.25 N ATOM 449 NH2 ARG A 30 -16.691 11.747 -18.270 1.00 73.43 N ATOM 0 H ARG A 30 -12.220 15.231 -20.756 1.00 65.32 H new ATOM 0 HA ARG A 30 -9.723 15.228 -19.167 1.00 32.41 H new ATOM 0 HB2 ARG A 30 -10.952 14.054 -17.477 1.00 53.33 H new ATOM 0 HB3 ARG A 30 -11.912 15.446 -17.936 1.00 53.33 H new ATOM 0 HG2 ARG A 30 -12.671 13.235 -19.617 1.00 10.32 H new ATOM 0 HG3 ARG A 30 -12.661 12.684 -17.954 1.00 10.32 H new ATOM 0 HD2 ARG A 30 -14.110 14.576 -17.292 1.00 3.30 H new ATOM 0 HD3 ARG A 30 -14.080 15.196 -18.931 1.00 3.30 H new ATOM 0 HE ARG A 30 -15.655 13.597 -19.570 1.00 12.41 H new ATOM 0 HH11 ARG A 30 -14.263 12.785 -16.430 1.00 25.25 H new ATOM 0 HH12 ARG A 30 -15.422 11.488 -16.122 1.00 25.25 H new ATOM 0 HH21 ARG A 30 -17.140 11.930 -19.167 1.00 73.43 H new ATOM 0 HH22 ARG A 30 -17.044 11.006 -17.664 1.00 73.43 H new ATOM 463 N PHE A 31 -9.196 12.756 -19.543 1.00 20.33 N ATOM 464 CA PHE A 31 -8.714 11.470 -20.033 1.00 61.22 C ATOM 465 C PHE A 31 -8.749 10.418 -18.928 1.00 55.21 C ATOM 466 O PHE A 31 -8.578 10.733 -17.751 1.00 2.40 O ATOM 467 CB PHE A 31 -7.290 11.608 -20.575 1.00 41.24 C ATOM 468 CG PHE A 31 -6.254 11.782 -19.502 1.00 1.41 C ATOM 469 CD1 PHE A 31 -5.637 10.681 -18.931 1.00 32.14 C ATOM 470 CD2 PHE A 31 -5.896 13.048 -19.064 1.00 75.54 C ATOM 471 CE1 PHE A 31 -4.684 10.839 -17.942 1.00 73.41 C ATOM 472 CE2 PHE A 31 -4.944 13.211 -18.076 1.00 42.44 C ATOM 473 CZ PHE A 31 -4.336 12.105 -17.515 1.00 52.34 C ATOM 0 H PHE A 31 -8.677 13.125 -18.746 1.00 20.33 H new ATOM 0 HA PHE A 31 -9.373 11.147 -20.839 1.00 61.22 H new ATOM 0 HB2 PHE A 31 -7.047 10.723 -21.164 1.00 41.24 H new ATOM 0 HB3 PHE A 31 -7.248 12.462 -21.251 1.00 41.24 H new ATOM 0 HD1 PHE A 31 -5.903 9.688 -19.262 1.00 32.14 H new ATOM 0 HD2 PHE A 31 -6.367 13.917 -19.500 1.00 75.54 H new ATOM 0 HE1 PHE A 31 -4.212 9.972 -17.504 1.00 73.41 H new ATOM 0 HE2 PHE A 31 -4.675 14.203 -17.743 1.00 42.44 H new ATOM 0 HZ PHE A 31 -3.590 12.230 -16.744 1.00 52.34 H new ATOM 483 N ALA A 32 -8.974 9.167 -19.317 1.00 11.41 N ATOM 484 CA ALA A 32 -9.031 8.069 -18.361 1.00 20.34 C ATOM 485 C ALA A 32 -7.801 7.175 -18.478 1.00 20.05 C ATOM 486 O ALA A 32 -7.548 6.584 -19.528 1.00 3.54 O ATOM 487 CB ALA A 32 -10.299 7.254 -18.568 1.00 13.15 C ATOM 0 H ALA A 32 -9.120 8.889 -20.288 1.00 11.41 H new ATOM 0 HA ALA A 32 -9.045 8.494 -17.357 1.00 20.34 H new ATOM 0 HB1 ALA A 32 -10.328 6.437 -17.847 1.00 13.15 H new ATOM 0 HB2 ALA A 32 -11.170 7.894 -18.427 1.00 13.15 H new ATOM 0 HB3 ALA A 32 -10.308 6.846 -19.579 1.00 13.15 H new ATOM 493 N VAL A 33 -7.039 7.080 -17.393 1.00 4.43 N ATOM 494 CA VAL A 33 -5.835 6.258 -17.374 1.00 2.14 C ATOM 495 C VAL A 33 -6.028 5.020 -16.505 1.00 55.21 C ATOM 496 O VAL A 33 -6.638 5.087 -15.438 1.00 53.14 O ATOM 497 CB VAL A 33 -4.621 7.052 -16.854 1.00 32.41 C ATOM 498 CG1 VAL A 33 -4.711 7.239 -15.347 1.00 54.31 C ATOM 499 CG2 VAL A 33 -3.325 6.353 -17.236 1.00 31.22 C ATOM 0 H VAL A 33 -7.234 7.562 -16.516 1.00 4.43 H new ATOM 0 HA VAL A 33 -5.646 5.951 -18.403 1.00 2.14 H new ATOM 0 HB VAL A 33 -4.627 8.038 -17.319 1.00 32.41 H new ATOM 0 HG11 VAL A 33 -3.845 7.802 -14.998 1.00 54.31 H new ATOM 0 HG12 VAL A 33 -5.622 7.785 -15.102 1.00 54.31 H new ATOM 0 HG13 VAL A 33 -4.730 6.264 -14.860 1.00 54.31 H new ATOM 0 HG21 VAL A 33 -2.478 6.927 -16.861 1.00 31.22 H new ATOM 0 HG22 VAL A 33 -3.308 5.354 -16.800 1.00 31.22 H new ATOM 0 HG23 VAL A 33 -3.259 6.276 -18.321 1.00 31.22 H new ATOM 509 N ALA A 34 -5.505 3.890 -16.969 1.00 44.54 N ATOM 510 CA ALA A 34 -5.617 2.637 -16.234 1.00 15.21 C ATOM 511 C ALA A 34 -4.307 2.291 -15.535 1.00 70.44 C ATOM 512 O ALA A 34 -3.230 2.409 -16.120 1.00 52.15 O ATOM 513 CB ALA A 34 -6.033 1.512 -17.170 1.00 23.43 C ATOM 0 H ALA A 34 -4.999 3.817 -17.852 1.00 44.54 H new ATOM 0 HA ALA A 34 -6.384 2.760 -15.469 1.00 15.21 H new ATOM 0 HB1 ALA A 34 -6.113 0.582 -16.608 1.00 23.43 H new ATOM 0 HB2 ALA A 34 -6.998 1.749 -17.618 1.00 23.43 H new ATOM 0 HB3 ALA A 34 -5.287 1.398 -17.956 1.00 23.43 H new ATOM 519 N TYR A 35 -4.406 1.863 -14.282 1.00 4.04 N ATOM 520 CA TYR A 35 -3.227 1.502 -13.502 1.00 53.33 C ATOM 521 C TYR A 35 -2.997 -0.006 -13.529 1.00 42.44 C ATOM 522 O TYR A 35 -3.945 -0.789 -13.570 1.00 32.21 O ATOM 523 CB TYR A 35 -3.380 1.980 -12.057 1.00 42.23 C ATOM 524 CG TYR A 35 -2.115 1.847 -11.239 1.00 14.12 C ATOM 525 CD1 TYR A 35 -0.871 2.105 -11.800 1.00 62.14 C ATOM 526 CD2 TYR A 35 -2.165 1.463 -9.905 1.00 30.23 C ATOM 527 CE1 TYR A 35 0.287 1.984 -11.057 1.00 22.02 C ATOM 528 CE2 TYR A 35 -1.012 1.341 -9.153 1.00 74.31 C ATOM 529 CZ TYR A 35 0.211 1.602 -9.734 1.00 2.14 C ATOM 530 OH TYR A 35 1.362 1.480 -8.989 1.00 12.33 O ATOM 0 H TYR A 35 -5.290 1.757 -13.784 1.00 4.04 H new ATOM 0 HA TYR A 35 -2.362 1.991 -13.950 1.00 53.33 H new ATOM 0 HB2 TYR A 35 -3.693 3.024 -12.060 1.00 42.23 H new ATOM 0 HB3 TYR A 35 -4.175 1.410 -11.577 1.00 42.23 H new ATOM 0 HD1 TYR A 35 -0.808 2.406 -12.835 1.00 62.14 H new ATOM 0 HD2 TYR A 35 -3.121 1.256 -9.448 1.00 30.23 H new ATOM 0 HE1 TYR A 35 1.246 2.187 -11.509 1.00 22.02 H new ATOM 0 HE2 TYR A 35 -1.068 1.043 -8.116 1.00 74.31 H new ATOM 0 HH TYR A 35 1.134 1.204 -8.077 1.00 12.33 H new ATOM 540 N SER A 36 -1.729 -0.404 -13.506 1.00 70.32 N ATOM 541 CA SER A 36 -1.372 -1.818 -13.531 1.00 43.12 C ATOM 542 C SER A 36 -1.937 -2.543 -12.314 1.00 15.12 C ATOM 543 O SER A 36 -2.038 -3.769 -12.299 1.00 51.24 O ATOM 544 CB SER A 36 0.149 -1.981 -13.575 1.00 11.43 C ATOM 545 OG SER A 36 0.516 -3.349 -13.550 1.00 43.00 O ATOM 0 H SER A 36 -0.932 0.232 -13.470 1.00 70.32 H new ATOM 0 HA SER A 36 -1.804 -2.260 -14.429 1.00 43.12 H new ATOM 0 HB2 SER A 36 0.542 -1.512 -14.477 1.00 11.43 H new ATOM 0 HB3 SER A 36 0.598 -1.465 -12.726 1.00 11.43 H new ATOM 0 HG SER A 36 1.492 -3.426 -13.581 1.00 43.00 H new ATOM 551 N ASN A 37 -2.305 -1.775 -11.294 1.00 14.44 N ATOM 552 CA ASN A 37 -2.861 -2.343 -10.070 1.00 43.45 C ATOM 553 C ASN A 37 -4.385 -2.376 -10.129 1.00 41.43 C ATOM 554 O ASN A 37 -5.056 -2.391 -9.097 1.00 60.42 O ATOM 555 CB ASN A 37 -2.403 -1.534 -8.855 1.00 35.14 C ATOM 556 CG ASN A 37 -2.475 -2.334 -7.568 1.00 62.23 C ATOM 557 OD1 ASN A 37 -3.123 -1.925 -6.605 1.00 22.01 O ATOM 558 ND2 ASN A 37 -1.807 -3.482 -7.548 1.00 5.44 N ATOM 0 H ASN A 37 -2.229 -0.758 -11.290 1.00 14.44 H new ATOM 0 HA ASN A 37 -2.497 -3.366 -9.975 1.00 43.45 H new ATOM 0 HB2 ASN A 37 -1.379 -1.195 -9.012 1.00 35.14 H new ATOM 0 HB3 ASN A 37 -3.023 -0.642 -8.761 1.00 35.14 H new ATOM 0 HD21 ASN A 37 -1.818 -4.064 -6.710 1.00 5.44 H new ATOM 0 HD22 ASN A 37 -1.283 -3.782 -8.370 1.00 5.44 H new ATOM 565 N ASP A 38 -4.924 -2.387 -11.343 1.00 54.41 N ATOM 566 CA ASP A 38 -6.369 -2.420 -11.537 1.00 54.33 C ATOM 567 C ASP A 38 -7.025 -1.173 -10.951 1.00 71.23 C ATOM 568 O ASP A 38 -7.738 -1.245 -9.950 1.00 20.43 O ATOM 569 CB ASP A 38 -6.963 -3.674 -10.894 1.00 53.21 C ATOM 570 CG ASP A 38 -8.415 -3.888 -11.276 1.00 21.13 C ATOM 571 OD1 ASP A 38 -8.848 -3.323 -12.301 1.00 40.32 O ATOM 572 OD2 ASP A 38 -9.118 -4.621 -10.548 1.00 40.42 O ATOM 0 H ASP A 38 -4.382 -2.374 -12.207 1.00 54.41 H new ATOM 0 HA ASP A 38 -6.566 -2.443 -12.609 1.00 54.33 H new ATOM 0 HB2 ASP A 38 -6.379 -4.544 -11.194 1.00 53.21 H new ATOM 0 HB3 ASP A 38 -6.883 -3.595 -9.810 1.00 53.21 H new ATOM 577 N THR A 39 -6.779 -0.029 -11.582 1.00 4.12 N ATOM 578 CA THR A 39 -7.343 1.234 -11.122 1.00 64.11 C ATOM 579 C THR A 39 -7.585 2.185 -12.289 1.00 35.43 C ATOM 580 O THR A 39 -7.000 2.029 -13.360 1.00 52.40 O ATOM 581 CB THR A 39 -6.420 1.921 -10.098 1.00 12.42 C ATOM 582 OG1 THR A 39 -5.393 1.016 -9.678 1.00 52.12 O ATOM 583 CG2 THR A 39 -7.212 2.394 -8.888 1.00 32.10 C ATOM 0 H THR A 39 -6.193 0.049 -12.413 1.00 4.12 H new ATOM 0 HA THR A 39 -8.294 1.000 -10.644 1.00 64.11 H new ATOM 0 HB THR A 39 -5.965 2.788 -10.577 1.00 12.42 H new ATOM 0 HG1 THR A 39 -5.016 1.321 -8.826 1.00 52.12 H new ATOM 0 HG21 THR A 39 -6.539 2.876 -8.179 1.00 32.10 H new ATOM 0 HG22 THR A 39 -7.973 3.106 -9.207 1.00 32.10 H new ATOM 0 HG23 THR A 39 -7.692 1.540 -8.410 1.00 32.10 H new ATOM 591 N MET A 40 -8.452 3.169 -12.073 1.00 42.12 N ATOM 592 CA MET A 40 -8.770 4.147 -13.108 1.00 30.54 C ATOM 593 C MET A 40 -8.915 5.543 -12.510 1.00 73.42 C ATOM 594 O MET A 40 -9.546 5.718 -11.469 1.00 11.54 O ATOM 595 CB MET A 40 -10.059 3.753 -13.832 1.00 65.33 C ATOM 596 CG MET A 40 -10.221 4.419 -15.189 1.00 3.01 C ATOM 597 SD MET A 40 -11.134 3.397 -16.360 1.00 63.53 S ATOM 598 CE MET A 40 -10.040 3.446 -17.778 1.00 2.44 C ATOM 0 H MET A 40 -8.946 3.310 -11.192 1.00 42.12 H new ATOM 0 HA MET A 40 -7.949 4.162 -13.825 1.00 30.54 H new ATOM 0 HB2 MET A 40 -10.076 2.671 -13.963 1.00 65.33 H new ATOM 0 HB3 MET A 40 -10.912 4.012 -13.205 1.00 65.33 H new ATOM 0 HG2 MET A 40 -10.738 5.370 -15.063 1.00 3.01 H new ATOM 0 HG3 MET A 40 -9.236 4.643 -15.599 1.00 3.01 H new ATOM 0 HE1 MET A 40 -10.631 3.516 -18.691 1.00 2.44 H new ATOM 0 HE2 MET A 40 -9.385 4.314 -17.702 1.00 2.44 H new ATOM 0 HE3 MET A 40 -9.438 2.538 -17.804 1.00 2.44 H new ATOM 608 N GLU A 41 -8.327 6.531 -13.177 1.00 20.12 N ATOM 609 CA GLU A 41 -8.391 7.911 -12.710 1.00 20.35 C ATOM 610 C GLU A 41 -8.760 8.855 -13.850 1.00 74.21 C ATOM 611 O GLU A 41 -8.204 8.769 -14.944 1.00 53.43 O ATOM 612 CB GLU A 41 -7.051 8.329 -12.100 1.00 71.14 C ATOM 613 CG GLU A 41 -7.171 8.888 -10.693 1.00 4.52 C ATOM 614 CD GLU A 41 -5.824 9.234 -10.086 1.00 35.30 C ATOM 615 OE1 GLU A 41 -5.049 8.299 -9.794 1.00 42.23 O ATOM 616 OE2 GLU A 41 -5.547 10.437 -9.903 1.00 3.14 O ATOM 0 H GLU A 41 -7.801 6.402 -14.042 1.00 20.12 H new ATOM 0 HA GLU A 41 -9.165 7.973 -11.945 1.00 20.35 H new ATOM 0 HB2 GLU A 41 -6.384 7.467 -12.084 1.00 71.14 H new ATOM 0 HB3 GLU A 41 -6.587 9.079 -12.741 1.00 71.14 H new ATOM 0 HG2 GLU A 41 -7.797 9.780 -10.713 1.00 4.52 H new ATOM 0 HG3 GLU A 41 -7.675 8.159 -10.058 1.00 4.52 H new ATOM 623 N GLU A 42 -9.703 9.754 -13.585 1.00 31.14 N ATOM 624 CA GLU A 42 -10.148 10.713 -14.589 1.00 63.20 C ATOM 625 C GLU A 42 -9.884 12.144 -14.129 1.00 61.15 C ATOM 626 O GLU A 42 -10.087 12.480 -12.962 1.00 41.54 O ATOM 627 CB GLU A 42 -11.638 10.526 -14.880 1.00 72.33 C ATOM 628 CG GLU A 42 -11.995 9.125 -15.350 1.00 15.43 C ATOM 629 CD GLU A 42 -13.493 8.905 -15.440 1.00 60.13 C ATOM 630 OE1 GLU A 42 -14.194 9.179 -14.443 1.00 64.33 O ATOM 631 OE2 GLU A 42 -13.964 8.459 -16.507 1.00 31.50 O ATOM 0 H GLU A 42 -10.173 9.838 -12.684 1.00 31.14 H new ATOM 0 HA GLU A 42 -9.582 10.533 -15.503 1.00 63.20 H new ATOM 0 HB2 GLU A 42 -12.207 10.754 -13.979 1.00 72.33 H new ATOM 0 HB3 GLU A 42 -11.944 11.244 -15.640 1.00 72.33 H new ATOM 0 HG2 GLU A 42 -11.546 8.948 -16.327 1.00 15.43 H new ATOM 0 HG3 GLU A 42 -11.565 8.395 -14.665 1.00 15.43 H new ATOM 638 N HIS A 43 -9.429 12.982 -15.056 1.00 14.35 N ATOM 639 CA HIS A 43 -9.137 14.377 -14.746 1.00 53.54 C ATOM 640 C HIS A 43 -9.256 15.247 -15.995 1.00 32.15 C ATOM 641 O HIS A 43 -8.857 14.841 -17.086 1.00 34.30 O ATOM 642 CB HIS A 43 -7.735 14.507 -14.152 1.00 4.30 C ATOM 643 CG HIS A 43 -7.730 14.726 -12.670 1.00 62.23 C ATOM 644 ND1 HIS A 43 -6.762 14.207 -11.836 1.00 74.31 N ATOM 645 CD2 HIS A 43 -8.581 15.414 -11.874 1.00 72.12 C ATOM 646 CE1 HIS A 43 -7.020 14.564 -10.591 1.00 2.42 C ATOM 647 NE2 HIS A 43 -8.118 15.298 -10.587 1.00 11.14 N ATOM 0 H HIS A 43 -9.255 12.720 -16.026 1.00 14.35 H new ATOM 0 HA HIS A 43 -9.867 14.721 -14.013 1.00 53.54 H new ATOM 0 HB2 HIS A 43 -7.168 13.604 -14.379 1.00 4.30 H new ATOM 0 HB3 HIS A 43 -7.220 15.337 -14.635 1.00 4.30 H new ATOM 0 HD2 HIS A 43 -9.461 15.954 -12.192 1.00 72.12 H new ATOM 0 HE1 HIS A 43 -6.433 14.301 -9.724 1.00 2.42 H new ATOM 0 HE2 HIS A 43 -8.552 15.712 -9.762 1.00 11.14 H new ATOM 655 N SER A 44 -9.808 16.444 -15.825 1.00 42.34 N ATOM 656 CA SER A 44 -9.983 17.369 -16.939 1.00 55.21 C ATOM 657 C SER A 44 -9.093 18.597 -16.771 1.00 72.34 C ATOM 658 O SER A 44 -9.179 19.308 -15.770 1.00 52.23 O ATOM 659 CB SER A 44 -11.448 17.798 -17.047 1.00 40.22 C ATOM 660 OG SER A 44 -11.711 18.926 -16.231 1.00 5.23 O ATOM 0 H SER A 44 -10.141 16.796 -14.928 1.00 42.34 H new ATOM 0 HA SER A 44 -9.693 16.855 -17.855 1.00 55.21 H new ATOM 0 HB2 SER A 44 -11.686 18.033 -18.085 1.00 40.22 H new ATOM 0 HB3 SER A 44 -12.095 16.972 -16.751 1.00 40.22 H new ATOM 0 HG SER A 44 -10.945 19.089 -15.642 1.00 5.23 H new ATOM 666 N PHE A 45 -8.238 18.839 -17.759 1.00 63.31 N ATOM 667 CA PHE A 45 -7.330 19.979 -17.722 1.00 2.30 C ATOM 668 C PHE A 45 -6.805 20.211 -16.308 1.00 61.30 C ATOM 669 O PHE A 45 -7.173 21.183 -15.647 1.00 71.43 O ATOM 670 CB PHE A 45 -8.037 21.238 -18.228 1.00 15.02 C ATOM 671 CG PHE A 45 -7.100 22.371 -18.532 1.00 50.42 C ATOM 672 CD1 PHE A 45 -6.021 22.186 -19.381 1.00 4.31 C ATOM 673 CD2 PHE A 45 -7.298 23.622 -17.969 1.00 60.21 C ATOM 674 CE1 PHE A 45 -5.156 23.227 -19.663 1.00 52.24 C ATOM 675 CE2 PHE A 45 -6.437 24.667 -18.248 1.00 72.52 C ATOM 676 CZ PHE A 45 -5.364 24.469 -19.095 1.00 74.34 C ATOM 0 H PHE A 45 -8.155 18.261 -18.595 1.00 63.31 H new ATOM 0 HA PHE A 45 -6.484 19.759 -18.373 1.00 2.30 H new ATOM 0 HB2 PHE A 45 -8.600 20.992 -19.128 1.00 15.02 H new ATOM 0 HB3 PHE A 45 -8.759 21.565 -17.480 1.00 15.02 H new ATOM 0 HD1 PHE A 45 -5.854 21.217 -19.828 1.00 4.31 H new ATOM 0 HD2 PHE A 45 -8.134 23.782 -17.305 1.00 60.21 H new ATOM 0 HE1 PHE A 45 -4.319 23.069 -20.327 1.00 52.24 H new ATOM 0 HE2 PHE A 45 -6.603 25.637 -17.804 1.00 72.52 H new ATOM 0 HZ PHE A 45 -4.689 25.283 -19.313 1.00 74.34 H new ATOM 686 N THR A 46 -5.942 19.310 -15.849 1.00 23.23 N ATOM 687 CA THR A 46 -5.367 19.413 -14.513 1.00 42.55 C ATOM 688 C THR A 46 -4.167 18.486 -14.358 1.00 0.20 C ATOM 689 O THR A 46 -3.131 18.880 -13.821 1.00 55.10 O ATOM 690 CB THR A 46 -6.406 19.077 -13.427 1.00 25.01 C ATOM 691 OG1 THR A 46 -5.759 18.939 -12.157 1.00 2.42 O ATOM 692 CG2 THR A 46 -7.147 17.792 -13.766 1.00 43.51 C ATOM 0 H THR A 46 -5.626 18.500 -16.383 1.00 23.23 H new ATOM 0 HA THR A 46 -5.043 20.446 -14.387 1.00 42.55 H new ATOM 0 HB THR A 46 -7.128 19.893 -13.381 1.00 25.01 H new ATOM 0 HG1 THR A 46 -6.426 18.727 -11.471 1.00 2.42 H new ATOM 0 HG21 THR A 46 -7.875 17.575 -12.985 1.00 43.51 H new ATOM 0 HG22 THR A 46 -7.662 17.910 -14.720 1.00 43.51 H new ATOM 0 HG23 THR A 46 -6.435 16.969 -13.837 1.00 43.51 H new ATOM 700 N ASP A 47 -4.313 17.254 -14.831 1.00 64.44 N ATOM 701 CA ASP A 47 -3.239 16.270 -14.746 1.00 52.14 C ATOM 702 C ASP A 47 -1.942 16.830 -15.322 1.00 53.11 C ATOM 703 O ASP A 47 -1.956 17.552 -16.318 1.00 42.42 O ATOM 704 CB ASP A 47 -3.631 14.991 -15.488 1.00 43.11 C ATOM 705 CG ASP A 47 -3.066 13.746 -14.833 1.00 43.01 C ATOM 706 OD1 ASP A 47 -3.652 13.285 -13.832 1.00 1.03 O ATOM 707 OD2 ASP A 47 -2.037 13.233 -15.321 1.00 42.14 O ATOM 0 H ASP A 47 -5.164 16.912 -15.277 1.00 64.44 H new ATOM 0 HA ASP A 47 -3.077 16.035 -13.694 1.00 52.14 H new ATOM 0 HB2 ASP A 47 -4.718 14.916 -15.528 1.00 43.11 H new ATOM 0 HB3 ASP A 47 -3.278 15.049 -16.518 1.00 43.11 H new ATOM 712 N GLU A 48 -0.824 16.492 -14.687 1.00 53.22 N ATOM 713 CA GLU A 48 0.481 16.964 -15.136 1.00 74.50 C ATOM 714 C GLU A 48 1.129 15.954 -16.079 1.00 21.34 C ATOM 715 O GLU A 48 2.339 15.982 -16.299 1.00 22.34 O ATOM 716 CB GLU A 48 1.396 17.219 -13.937 1.00 33.35 C ATOM 717 CG GLU A 48 1.122 18.537 -13.232 1.00 30.33 C ATOM 718 CD GLU A 48 1.451 18.486 -11.752 1.00 53.32 C ATOM 719 OE1 GLU A 48 2.611 18.775 -11.391 1.00 73.35 O ATOM 720 OE2 GLU A 48 0.547 18.158 -10.955 1.00 52.42 O ATOM 0 H GLU A 48 -0.796 15.894 -13.861 1.00 53.22 H new ATOM 0 HA GLU A 48 0.335 17.899 -15.677 1.00 74.50 H new ATOM 0 HB2 GLU A 48 1.281 16.404 -13.223 1.00 33.35 H new ATOM 0 HB3 GLU A 48 2.433 17.205 -14.272 1.00 33.35 H new ATOM 0 HG2 GLU A 48 1.708 19.326 -13.704 1.00 30.33 H new ATOM 0 HG3 GLU A 48 0.072 18.801 -13.358 1.00 30.33 H new ATOM 727 N GLY A 49 0.314 15.061 -16.633 1.00 13.45 N ATOM 728 CA GLY A 49 0.825 14.055 -17.544 1.00 70.41 C ATOM 729 C GLY A 49 0.655 14.449 -18.998 1.00 5.12 C ATOM 730 O GLY A 49 1.436 14.037 -19.856 1.00 23.13 O ATOM 0 H GLY A 49 -0.691 15.017 -16.467 1.00 13.45 H new ATOM 0 HA2 GLY A 49 1.882 13.886 -17.338 1.00 70.41 H new ATOM 0 HA3 GLY A 49 0.310 13.111 -17.364 1.00 70.41 H new ATOM 734 N VAL A 50 -0.369 15.249 -19.277 1.00 20.11 N ATOM 735 CA VAL A 50 -0.639 15.699 -20.637 1.00 73.21 C ATOM 736 C VAL A 50 -0.169 17.134 -20.845 1.00 12.11 C ATOM 737 O VAL A 50 -0.576 18.041 -20.120 1.00 2.31 O ATOM 738 CB VAL A 50 -2.140 15.608 -20.970 1.00 53.53 C ATOM 739 CG1 VAL A 50 -2.596 14.157 -20.995 1.00 3.43 C ATOM 740 CG2 VAL A 50 -2.957 16.415 -19.972 1.00 43.40 C ATOM 0 H VAL A 50 -1.025 15.599 -18.579 1.00 20.11 H new ATOM 0 HA VAL A 50 -0.085 15.039 -21.305 1.00 73.21 H new ATOM 0 HB VAL A 50 -2.300 16.030 -21.962 1.00 53.53 H new ATOM 0 HG11 VAL A 50 -3.659 14.114 -21.232 1.00 3.43 H new ATOM 0 HG12 VAL A 50 -2.033 13.612 -21.752 1.00 3.43 H new ATOM 0 HG13 VAL A 50 -2.423 13.704 -20.019 1.00 3.43 H new ATOM 0 HG21 VAL A 50 -4.015 16.339 -20.222 1.00 43.40 H new ATOM 0 HG22 VAL A 50 -2.793 16.025 -18.968 1.00 43.40 H new ATOM 0 HG23 VAL A 50 -2.649 17.460 -20.010 1.00 43.40 H new ATOM 750 N GLU A 51 0.689 17.332 -21.840 1.00 64.34 N ATOM 751 CA GLU A 51 1.215 18.658 -22.143 1.00 60.30 C ATOM 752 C GLU A 51 0.534 19.244 -23.376 1.00 43.34 C ATOM 753 O GLU A 51 0.498 18.617 -24.435 1.00 71.04 O ATOM 754 CB GLU A 51 2.728 18.593 -22.364 1.00 73.23 C ATOM 755 CG GLU A 51 3.520 18.356 -21.089 1.00 73.34 C ATOM 756 CD GLU A 51 4.526 17.230 -21.229 1.00 3.33 C ATOM 757 OE1 GLU A 51 4.161 16.069 -20.950 1.00 44.21 O ATOM 758 OE2 GLU A 51 5.680 17.512 -21.617 1.00 34.41 O ATOM 0 H GLU A 51 1.035 16.591 -22.450 1.00 64.34 H new ATOM 0 HA GLU A 51 1.008 19.307 -21.292 1.00 60.30 H new ATOM 0 HB2 GLU A 51 2.949 17.795 -23.073 1.00 73.23 H new ATOM 0 HB3 GLU A 51 3.060 19.525 -22.820 1.00 73.23 H new ATOM 0 HG2 GLU A 51 4.042 19.273 -20.814 1.00 73.34 H new ATOM 0 HG3 GLU A 51 2.832 18.125 -20.276 1.00 73.34 H new ATOM 765 N ILE A 52 -0.004 20.450 -23.230 1.00 41.34 N ATOM 766 CA ILE A 52 -0.683 21.122 -24.332 1.00 22.33 C ATOM 767 C ILE A 52 0.264 22.061 -25.071 1.00 25.14 C ATOM 768 O ILE A 52 1.072 22.756 -24.454 1.00 55.51 O ATOM 769 CB ILE A 52 -1.901 21.924 -23.837 1.00 3.11 C ATOM 770 CG1 ILE A 52 -2.686 21.115 -22.803 1.00 1.05 C ATOM 771 CG2 ILE A 52 -2.794 22.307 -25.007 1.00 70.44 C ATOM 772 CD1 ILE A 52 -3.219 19.805 -23.338 1.00 60.33 C ATOM 0 H ILE A 52 0.017 20.982 -22.360 1.00 41.34 H new ATOM 0 HA ILE A 52 -1.024 20.343 -25.014 1.00 22.33 H new ATOM 0 HB ILE A 52 -1.546 22.838 -23.362 1.00 3.11 H new ATOM 0 HG12 ILE A 52 -2.042 20.913 -21.947 1.00 1.05 H new ATOM 0 HG13 ILE A 52 -3.520 21.716 -22.440 1.00 1.05 H new ATOM 0 HG21 ILE A 52 -3.650 22.873 -24.641 1.00 70.44 H new ATOM 0 HG22 ILE A 52 -2.229 22.918 -25.711 1.00 70.44 H new ATOM 0 HG23 ILE A 52 -3.143 21.405 -25.509 1.00 70.44 H new ATOM 0 HD11 ILE A 52 -3.764 19.285 -22.550 1.00 60.33 H new ATOM 0 HD12 ILE A 52 -3.889 20.000 -24.176 1.00 60.33 H new ATOM 0 HD13 ILE A 52 -2.388 19.184 -23.674 1.00 60.33 H new ATOM 784 N SER A 53 0.159 22.077 -26.396 1.00 20.24 N ATOM 785 CA SER A 53 1.008 22.929 -27.220 1.00 13.43 C ATOM 786 C SER A 53 0.214 23.530 -28.376 1.00 44.41 C ATOM 787 O SER A 53 -0.601 22.854 -29.002 1.00 0.41 O ATOM 788 CB SER A 53 2.196 22.132 -27.761 1.00 75.24 C ATOM 789 OG SER A 53 3.409 22.843 -27.588 1.00 71.02 O ATOM 0 H SER A 53 -0.506 21.509 -26.922 1.00 20.24 H new ATOM 0 HA SER A 53 1.380 23.742 -26.596 1.00 13.43 H new ATOM 0 HB2 SER A 53 2.257 21.172 -27.248 1.00 75.24 H new ATOM 0 HB3 SER A 53 2.043 21.919 -28.819 1.00 75.24 H new ATOM 0 HG SER A 53 4.153 22.311 -27.940 1.00 71.02 H new ATOM 795 N GLY A 54 0.460 24.807 -28.654 1.00 2.31 N ATOM 796 CA GLY A 54 -0.238 25.479 -29.734 1.00 14.31 C ATOM 797 C GLY A 54 -1.314 26.422 -29.231 1.00 23.21 C ATOM 798 O GLY A 54 -1.811 27.263 -29.980 1.00 14.14 O ATOM 0 H GLY A 54 1.130 25.388 -28.150 1.00 2.31 H new ATOM 0 HA2 GLY A 54 0.480 26.039 -30.334 1.00 14.31 H new ATOM 0 HA3 GLY A 54 -0.689 24.734 -30.390 1.00 14.31 H new ATOM 802 N TYR A 55 -1.675 26.281 -27.960 1.00 65.23 N ATOM 803 CA TYR A 55 -2.701 27.124 -27.359 1.00 71.12 C ATOM 804 C TYR A 55 -2.096 28.415 -26.816 1.00 54.12 C ATOM 805 O TYR A 55 -1.042 28.401 -26.181 1.00 20.22 O ATOM 806 CB TYR A 55 -3.416 26.371 -26.236 1.00 71.32 C ATOM 807 CG TYR A 55 -3.193 26.971 -24.867 1.00 2.14 C ATOM 808 CD1 TYR A 55 -2.070 26.644 -24.117 1.00 64.44 C ATOM 809 CD2 TYR A 55 -4.105 27.867 -24.322 1.00 60.22 C ATOM 810 CE1 TYR A 55 -1.862 27.189 -22.865 1.00 51.14 C ATOM 811 CE2 TYR A 55 -3.905 28.419 -23.072 1.00 21.55 C ATOM 812 CZ TYR A 55 -2.782 28.076 -22.347 1.00 13.21 C ATOM 813 OH TYR A 55 -2.579 28.623 -21.101 1.00 25.14 O ATOM 0 H TYR A 55 -1.272 25.591 -27.326 1.00 65.23 H new ATOM 0 HA TYR A 55 -3.424 27.380 -28.133 1.00 71.12 H new ATOM 0 HB2 TYR A 55 -4.485 26.353 -26.446 1.00 71.32 H new ATOM 0 HB3 TYR A 55 -3.075 25.336 -26.230 1.00 71.32 H new ATOM 0 HD1 TYR A 55 -1.347 25.951 -24.520 1.00 64.44 H new ATOM 0 HD2 TYR A 55 -4.986 28.136 -24.886 1.00 60.22 H new ATOM 0 HE1 TYR A 55 -0.984 26.922 -22.295 1.00 51.14 H new ATOM 0 HE2 TYR A 55 -4.623 29.115 -22.664 1.00 21.55 H new ATOM 0 HH TYR A 55 -1.617 28.692 -20.927 1.00 25.14 H new ATOM 823 N ASP A 56 -2.773 29.530 -27.071 1.00 25.22 N ATOM 824 CA ASP A 56 -2.305 30.831 -26.607 1.00 24.22 C ATOM 825 C ASP A 56 -3.275 31.427 -25.593 1.00 14.45 C ATOM 826 O ASP A 56 -4.262 32.063 -25.963 1.00 32.44 O ATOM 827 CB ASP A 56 -2.132 31.786 -27.789 1.00 22.21 C ATOM 828 CG ASP A 56 -0.681 31.941 -28.201 1.00 30.33 C ATOM 829 OD1 ASP A 56 -0.100 30.958 -28.707 1.00 54.45 O ATOM 830 OD2 ASP A 56 -0.126 33.044 -28.015 1.00 41.25 O ATOM 0 H ASP A 56 -3.647 29.559 -27.596 1.00 25.22 H new ATOM 0 HA ASP A 56 -1.340 30.690 -26.120 1.00 24.22 H new ATOM 0 HB2 ASP A 56 -2.710 31.418 -28.637 1.00 22.21 H new ATOM 0 HB3 ASP A 56 -2.538 32.763 -27.526 1.00 22.21 H new ATOM 835 N ALA A 57 -2.988 31.217 -24.312 1.00 15.40 N ATOM 836 CA ALA A 57 -3.835 31.735 -23.245 1.00 13.05 C ATOM 837 C ALA A 57 -3.953 33.253 -23.325 1.00 0.35 C ATOM 838 O ALA A 57 -4.983 33.824 -22.968 1.00 53.11 O ATOM 839 CB ALA A 57 -3.289 31.317 -21.888 1.00 21.25 C ATOM 0 H ALA A 57 -2.176 30.692 -23.989 1.00 15.40 H new ATOM 0 HA ALA A 57 -4.832 31.313 -23.369 1.00 13.05 H new ATOM 0 HB1 ALA A 57 -3.931 31.711 -21.100 1.00 21.25 H new ATOM 0 HB2 ALA A 57 -3.263 30.229 -21.825 1.00 21.25 H new ATOM 0 HB3 ALA A 57 -2.280 31.711 -21.765 1.00 21.25 H new ATOM 845 N GLN A 58 -2.891 33.901 -23.794 1.00 31.44 N ATOM 846 CA GLN A 58 -2.876 35.353 -23.918 1.00 52.33 C ATOM 847 C GLN A 58 -3.870 35.819 -24.977 1.00 35.11 C ATOM 848 O GLN A 58 -4.277 36.981 -24.994 1.00 35.24 O ATOM 849 CB GLN A 58 -1.470 35.841 -24.272 1.00 54.42 C ATOM 850 CG GLN A 58 -0.726 36.457 -23.098 1.00 35.41 C ATOM 851 CD GLN A 58 0.349 37.432 -23.535 1.00 13.14 C ATOM 852 OE1 GLN A 58 0.059 38.458 -24.150 1.00 41.43 O ATOM 853 NE2 GLN A 58 1.599 37.116 -23.217 1.00 50.54 N ATOM 0 H GLN A 58 -2.030 33.443 -24.094 1.00 31.44 H new ATOM 0 HA GLN A 58 -3.170 35.778 -22.958 1.00 52.33 H new ATOM 0 HB2 GLN A 58 -0.890 35.003 -24.659 1.00 54.42 H new ATOM 0 HB3 GLN A 58 -1.541 36.577 -25.073 1.00 54.42 H new ATOM 0 HG2 GLN A 58 -1.437 36.972 -22.452 1.00 35.41 H new ATOM 0 HG3 GLN A 58 -0.272 35.664 -22.504 1.00 35.41 H new ATOM 0 HE21 GLN A 58 1.793 36.255 -22.706 1.00 50.54 H new ATOM 0 HE22 GLN A 58 2.365 37.735 -23.484 1.00 50.54 H new ATOM 862 N LYS A 59 -4.258 34.905 -25.860 1.00 51.01 N ATOM 863 CA LYS A 59 -5.206 35.220 -26.922 1.00 44.54 C ATOM 864 C LYS A 59 -5.889 33.957 -27.435 1.00 33.23 C ATOM 865 O LYS A 59 -5.269 33.130 -28.104 1.00 41.13 O ATOM 866 CB LYS A 59 -4.493 35.931 -28.076 1.00 22.55 C ATOM 867 CG LYS A 59 -4.748 37.427 -28.119 1.00 5.34 C ATOM 868 CD LYS A 59 -3.561 38.178 -28.700 1.00 12.45 C ATOM 869 CE LYS A 59 -4.010 39.332 -29.584 1.00 34.44 C ATOM 870 NZ LYS A 59 -2.874 40.219 -29.958 1.00 34.13 N ATOM 0 H LYS A 59 -3.930 33.939 -25.861 1.00 51.01 H new ATOM 0 HA LYS A 59 -5.968 35.882 -26.510 1.00 44.54 H new ATOM 0 HB2 LYS A 59 -3.420 35.756 -27.992 1.00 22.55 H new ATOM 0 HB3 LYS A 59 -4.815 35.489 -29.019 1.00 22.55 H new ATOM 0 HG2 LYS A 59 -5.636 37.629 -28.718 1.00 5.34 H new ATOM 0 HG3 LYS A 59 -4.953 37.791 -27.112 1.00 5.34 H new ATOM 0 HD2 LYS A 59 -2.939 38.559 -27.890 1.00 12.45 H new ATOM 0 HD3 LYS A 59 -2.944 37.492 -29.281 1.00 12.45 H new ATOM 0 HE2 LYS A 59 -4.475 38.938 -30.487 1.00 34.44 H new ATOM 0 HE3 LYS A 59 -4.769 39.915 -29.063 1.00 34.44 H new ATOM 0 HZ1 LYS A 59 -3.221 40.993 -30.560 1.00 34.13 H new ATOM 0 HZ2 LYS A 59 -2.445 40.616 -29.097 1.00 34.13 H new ATOM 0 HZ3 LYS A 59 -2.161 39.669 -30.478 1.00 34.13 H new ATOM 884 N THR A 60 -7.172 33.813 -27.117 1.00 13.10 N ATOM 885 CA THR A 60 -7.940 32.651 -27.545 1.00 71.32 C ATOM 886 C THR A 60 -8.761 32.963 -28.791 1.00 62.54 C ATOM 887 O THR A 60 -8.773 34.095 -29.271 1.00 14.42 O ATOM 888 CB THR A 60 -8.885 32.160 -26.432 1.00 3.12 C ATOM 889 OG1 THR A 60 -9.342 33.271 -25.653 1.00 12.13 O ATOM 890 CG2 THR A 60 -8.183 31.156 -25.530 1.00 4.54 C ATOM 0 H THR A 60 -7.701 34.487 -26.564 1.00 13.10 H new ATOM 0 HA THR A 60 -7.221 31.865 -27.774 1.00 71.32 H new ATOM 0 HB THR A 60 -9.738 31.669 -26.900 1.00 3.12 H new ATOM 0 HG1 THR A 60 -9.667 32.951 -24.786 1.00 12.13 H new ATOM 0 HG21 THR A 60 -8.870 30.824 -24.752 1.00 4.54 H new ATOM 0 HG22 THR A 60 -7.862 30.298 -26.121 1.00 4.54 H new ATOM 0 HG23 THR A 60 -7.314 31.626 -25.070 1.00 4.54 H new ATOM 898 N GLY A 61 -9.447 31.949 -29.312 1.00 5.21 N ATOM 899 CA GLY A 61 -10.261 32.136 -30.498 1.00 53.51 C ATOM 900 C GLY A 61 -9.756 31.335 -31.681 1.00 45.33 C ATOM 901 O GLY A 61 -8.872 31.784 -32.411 1.00 42.43 O ATOM 0 H GLY A 61 -9.453 31.002 -28.933 1.00 5.21 H new ATOM 0 HA2 GLY A 61 -11.289 31.846 -30.279 1.00 53.51 H new ATOM 0 HA3 GLY A 61 -10.278 33.194 -30.760 1.00 53.51 H new ATOM 905 N ARG A 62 -10.316 30.145 -31.871 1.00 4.11 N ATOM 906 CA ARG A 62 -9.914 29.278 -32.972 1.00 43.31 C ATOM 907 C ARG A 62 -8.455 28.855 -32.826 1.00 71.41 C ATOM 908 O ARG A 62 -7.732 28.737 -33.815 1.00 4.44 O ATOM 909 CB ARG A 62 -10.117 29.991 -34.310 1.00 73.25 C ATOM 910 CG ARG A 62 -10.369 29.044 -35.472 1.00 61.25 C ATOM 911 CD ARG A 62 -9.133 28.893 -36.346 1.00 32.13 C ATOM 912 NE ARG A 62 -9.366 29.362 -37.709 1.00 3.30 N ATOM 913 CZ ARG A 62 -8.431 29.370 -38.653 1.00 72.10 C ATOM 914 NH1 ARG A 62 -7.208 28.935 -38.383 1.00 50.32 N ATOM 915 NH2 ARG A 62 -8.720 29.812 -39.870 1.00 43.43 N ATOM 0 H ARG A 62 -11.050 29.759 -31.277 1.00 4.11 H new ATOM 0 HA ARG A 62 -10.538 28.385 -32.945 1.00 43.31 H new ATOM 0 HB2 ARG A 62 -10.959 30.677 -34.222 1.00 73.25 H new ATOM 0 HB3 ARG A 62 -9.236 30.594 -34.528 1.00 73.25 H new ATOM 0 HG2 ARG A 62 -10.667 28.068 -35.089 1.00 61.25 H new ATOM 0 HG3 ARG A 62 -11.198 29.417 -36.074 1.00 61.25 H new ATOM 0 HD2 ARG A 62 -8.307 29.453 -35.906 1.00 32.13 H new ATOM 0 HD3 ARG A 62 -8.831 27.846 -36.370 1.00 32.13 H new ATOM 0 HE ARG A 62 -10.297 29.702 -37.950 1.00 3.30 H new ATOM 0 HH11 ARG A 62 -6.983 28.593 -37.449 1.00 50.32 H new ATOM 0 HH12 ARG A 62 -6.492 28.942 -39.110 1.00 50.32 H new ATOM 0 HH21 ARG A 62 -9.660 30.146 -40.081 1.00 43.43 H new ATOM 0 HH22 ARG A 62 -8.002 29.818 -40.594 1.00 43.43 H new ATOM 929 N GLN A 63 -8.032 28.627 -31.587 1.00 4.21 N ATOM 930 CA GLN A 63 -6.659 28.218 -31.312 1.00 73.02 C ATOM 931 C GLN A 63 -6.546 26.698 -31.251 1.00 14.31 C ATOM 932 O GLN A 63 -7.326 26.034 -30.568 1.00 34.42 O ATOM 933 CB GLN A 63 -6.176 28.831 -29.997 1.00 24.32 C ATOM 934 CG GLN A 63 -6.538 30.299 -29.840 1.00 64.21 C ATOM 935 CD GLN A 63 -6.013 31.154 -30.977 1.00 32.32 C ATOM 936 OE1 GLN A 63 -6.413 30.987 -32.130 1.00 3.24 O ATOM 937 NE2 GLN A 63 -5.113 32.076 -30.658 1.00 0.24 N ATOM 0 H GLN A 63 -8.619 28.718 -30.758 1.00 4.21 H new ATOM 0 HA GLN A 63 -6.029 28.578 -32.125 1.00 73.02 H new ATOM 0 HB2 GLN A 63 -6.603 28.269 -29.166 1.00 24.32 H new ATOM 0 HB3 GLN A 63 -5.093 28.724 -29.932 1.00 24.32 H new ATOM 0 HG2 GLN A 63 -7.622 30.398 -29.786 1.00 64.21 H new ATOM 0 HG3 GLN A 63 -6.137 30.669 -28.897 1.00 64.21 H new ATOM 0 HE21 GLN A 63 -4.810 32.180 -29.690 1.00 0.24 H new ATOM 0 HE22 GLN A 63 -4.724 32.681 -31.381 1.00 0.24 H new ATOM 946 N THR A 64 -5.570 26.153 -31.970 1.00 32.43 N ATOM 947 CA THR A 64 -5.356 24.711 -31.998 1.00 40.44 C ATOM 948 C THR A 64 -4.645 24.236 -30.737 1.00 22.03 C ATOM 949 O THR A 64 -3.694 24.866 -30.273 1.00 3.42 O ATOM 950 CB THR A 64 -4.530 24.290 -33.229 1.00 14.51 C ATOM 951 OG1 THR A 64 -5.239 24.617 -34.429 1.00 40.44 O ATOM 952 CG2 THR A 64 -4.236 22.798 -33.198 1.00 43.42 C ATOM 0 H THR A 64 -4.915 26.688 -32.541 1.00 32.43 H new ATOM 0 HA THR A 64 -6.340 24.246 -32.053 1.00 40.44 H new ATOM 0 HB THR A 64 -3.584 24.831 -33.208 1.00 14.51 H new ATOM 0 HG1 THR A 64 -4.707 24.348 -35.207 1.00 40.44 H new ATOM 0 HG21 THR A 64 -3.652 22.524 -34.077 1.00 43.42 H new ATOM 0 HG22 THR A 64 -3.671 22.557 -32.297 1.00 43.42 H new ATOM 0 HG23 THR A 64 -5.174 22.242 -33.198 1.00 43.42 H new ATOM 960 N LEU A 65 -5.111 23.121 -30.185 1.00 65.34 N ATOM 961 CA LEU A 65 -4.518 22.560 -28.976 1.00 61.42 C ATOM 962 C LEU A 65 -4.184 21.084 -29.168 1.00 32.43 C ATOM 963 O LEU A 65 -5.042 20.285 -29.547 1.00 10.42 O ATOM 964 CB LEU A 65 -5.471 22.729 -27.792 1.00 4.34 C ATOM 965 CG LEU A 65 -5.657 24.158 -27.279 1.00 63.12 C ATOM 966 CD1 LEU A 65 -6.936 24.762 -27.836 1.00 15.10 C ATOM 967 CD2 LEU A 65 -5.672 24.181 -25.758 1.00 3.13 C ATOM 0 H LEU A 65 -5.898 22.588 -30.555 1.00 65.34 H new ATOM 0 HA LEU A 65 -3.593 23.099 -28.770 1.00 61.42 H new ATOM 0 HB2 LEU A 65 -6.447 22.337 -28.078 1.00 4.34 H new ATOM 0 HB3 LEU A 65 -5.109 22.113 -26.969 1.00 4.34 H new ATOM 0 HG LEU A 65 -4.816 24.760 -27.623 1.00 63.12 H new ATOM 0 HD11 LEU A 65 -7.052 25.779 -27.460 1.00 15.10 H new ATOM 0 HD12 LEU A 65 -6.885 24.781 -28.925 1.00 15.10 H new ATOM 0 HD13 LEU A 65 -7.789 24.160 -27.523 1.00 15.10 H new ATOM 0 HD21 LEU A 65 -5.805 25.206 -25.411 1.00 3.13 H new ATOM 0 HD22 LEU A 65 -6.493 23.565 -25.393 1.00 3.13 H new ATOM 0 HD23 LEU A 65 -4.728 23.789 -25.379 1.00 3.13 H new ATOM 979 N THR A 66 -2.932 20.726 -28.901 1.00 62.32 N ATOM 980 CA THR A 66 -2.484 19.346 -29.043 1.00 35.11 C ATOM 981 C THR A 66 -1.894 18.822 -27.738 1.00 54.54 C ATOM 982 O THR A 66 -0.846 19.287 -27.289 1.00 64.42 O ATOM 983 CB THR A 66 -1.433 19.208 -30.160 1.00 54.14 C ATOM 984 OG1 THR A 66 -1.285 20.454 -30.849 1.00 44.55 O ATOM 985 CG2 THR A 66 -1.832 18.122 -31.148 1.00 33.55 C ATOM 0 H THR A 66 -2.210 21.373 -28.585 1.00 62.32 H new ATOM 0 HA THR A 66 -3.361 18.755 -29.305 1.00 35.11 H new ATOM 0 HB THR A 66 -0.483 18.930 -29.703 1.00 54.14 H new ATOM 0 HG1 THR A 66 -0.614 20.359 -31.557 1.00 44.55 H new ATOM 0 HG21 THR A 66 -1.074 18.043 -31.928 1.00 33.55 H new ATOM 0 HG22 THR A 66 -1.916 17.169 -30.626 1.00 33.55 H new ATOM 0 HG23 THR A 66 -2.792 18.375 -31.599 1.00 33.55 H new ATOM 993 N LEU A 67 -2.573 17.854 -27.134 1.00 73.54 N ATOM 994 CA LEU A 67 -2.115 17.266 -25.880 1.00 73.43 C ATOM 995 C LEU A 67 -1.401 15.941 -26.129 1.00 4.22 C ATOM 996 O LEU A 67 -1.942 15.043 -26.774 1.00 33.34 O ATOM 997 CB LEU A 67 -3.297 17.051 -24.933 1.00 73.54 C ATOM 998 CG LEU A 67 -4.168 15.825 -25.214 1.00 3.01 C ATOM 999 CD1 LEU A 67 -3.637 14.611 -24.467 1.00 41.13 C ATOM 1000 CD2 LEU A 67 -5.614 16.099 -24.830 1.00 14.21 C ATOM 0 H LEU A 67 -3.443 17.459 -27.492 1.00 73.54 H new ATOM 0 HA LEU A 67 -1.409 17.957 -25.419 1.00 73.43 H new ATOM 0 HB2 LEU A 67 -2.913 16.973 -23.916 1.00 73.54 H new ATOM 0 HB3 LEU A 67 -3.930 17.937 -24.967 1.00 73.54 H new ATOM 0 HG LEU A 67 -4.131 15.614 -26.283 1.00 3.01 H new ATOM 0 HD11 LEU A 67 -4.269 13.748 -24.679 1.00 41.13 H new ATOM 0 HD12 LEU A 67 -2.617 14.402 -24.791 1.00 41.13 H new ATOM 0 HD13 LEU A 67 -3.644 14.811 -23.396 1.00 41.13 H new ATOM 0 HD21 LEU A 67 -6.219 15.216 -25.037 1.00 14.21 H new ATOM 0 HD22 LEU A 67 -5.670 16.336 -23.768 1.00 14.21 H new ATOM 0 HD23 LEU A 67 -5.991 16.941 -25.410 1.00 14.21 H new ATOM 1012 N HIS A 68 -0.182 15.826 -25.611 1.00 44.22 N ATOM 1013 CA HIS A 68 0.607 14.610 -25.774 1.00 73.15 C ATOM 1014 C HIS A 68 1.023 14.046 -24.419 1.00 74.12 C ATOM 1015 O HIS A 68 1.591 14.755 -23.589 1.00 25.02 O ATOM 1016 CB HIS A 68 1.846 14.890 -26.625 1.00 51.41 C ATOM 1017 CG HIS A 68 1.559 14.972 -28.093 1.00 31.21 C ATOM 1018 ND1 HIS A 68 0.778 15.960 -28.653 1.00 51.43 N ATOM 1019 CD2 HIS A 68 1.955 14.181 -29.118 1.00 0.14 C ATOM 1020 CE1 HIS A 68 0.705 15.773 -29.959 1.00 54.30 C ATOM 1021 NE2 HIS A 68 1.411 14.700 -30.266 1.00 53.25 N ATOM 0 H HIS A 68 0.281 16.560 -25.075 1.00 44.22 H new ATOM 0 HA HIS A 68 -0.013 13.870 -26.281 1.00 73.15 H new ATOM 0 HB2 HIS A 68 2.297 15.827 -26.298 1.00 51.41 H new ATOM 0 HB3 HIS A 68 2.582 14.105 -26.450 1.00 51.41 H new ATOM 0 HD2 HIS A 68 2.582 13.305 -29.046 1.00 0.14 H new ATOM 0 HE1 HIS A 68 0.161 16.392 -30.657 1.00 54.30 H new ATOM 0 HE2 HIS A 68 1.532 14.319 -31.204 1.00 53.25 H new ATOM 1029 N TYR A 69 0.734 12.768 -24.202 1.00 62.43 N ATOM 1030 CA TYR A 69 1.075 12.110 -22.947 1.00 23.53 C ATOM 1031 C TYR A 69 1.560 10.684 -23.193 1.00 1.02 C ATOM 1032 O TYR A 69 0.812 9.840 -23.685 1.00 64.40 O ATOM 1033 CB TYR A 69 -0.134 12.094 -22.010 1.00 3.32 C ATOM 1034 CG TYR A 69 0.062 11.234 -20.782 1.00 63.42 C ATOM 1035 CD1 TYR A 69 1.298 11.161 -20.151 1.00 10.33 C ATOM 1036 CD2 TYR A 69 -0.987 10.492 -20.254 1.00 53.23 C ATOM 1037 CE1 TYR A 69 1.482 10.376 -19.029 1.00 62.22 C ATOM 1038 CE2 TYR A 69 -0.813 9.705 -19.133 1.00 3.25 C ATOM 1039 CZ TYR A 69 0.424 9.650 -18.524 1.00 13.23 C ATOM 1040 OH TYR A 69 0.602 8.866 -17.407 1.00 1.31 O ATOM 0 H TYR A 69 0.264 12.167 -24.879 1.00 62.43 H new ATOM 0 HA TYR A 69 1.882 12.674 -22.479 1.00 23.53 H new ATOM 0 HB2 TYR A 69 -0.354 13.115 -21.697 1.00 3.32 H new ATOM 0 HB3 TYR A 69 -1.004 11.735 -22.560 1.00 3.32 H new ATOM 0 HD1 TYR A 69 2.129 11.728 -20.544 1.00 10.33 H new ATOM 0 HD2 TYR A 69 -1.956 10.531 -20.729 1.00 53.23 H new ATOM 0 HE1 TYR A 69 2.449 10.331 -18.550 1.00 62.22 H new ATOM 0 HE2 TYR A 69 -1.640 9.136 -18.735 1.00 3.25 H new ATOM 0 HH TYR A 69 -0.103 9.061 -16.755 1.00 1.31 H new ATOM 1050 N GLN A 70 2.817 10.425 -22.846 1.00 14.24 N ATOM 1051 CA GLN A 70 3.402 9.102 -23.029 1.00 1.35 C ATOM 1052 C GLN A 70 3.505 8.753 -24.509 1.00 73.55 C ATOM 1053 O GLN A 70 4.558 8.913 -25.124 1.00 25.52 O ATOM 1054 CB GLN A 70 2.568 8.047 -22.300 1.00 4.24 C ATOM 1055 CG GLN A 70 3.180 7.590 -20.985 1.00 60.23 C ATOM 1056 CD GLN A 70 4.137 6.427 -21.160 1.00 40.22 C ATOM 1057 OE1 GLN A 70 3.873 5.501 -21.928 1.00 4.23 O ATOM 1058 NE2 GLN A 70 5.257 6.469 -20.447 1.00 54.33 N ATOM 0 H GLN A 70 3.449 11.113 -22.437 1.00 14.24 H new ATOM 0 HA GLN A 70 4.407 9.115 -22.607 1.00 1.35 H new ATOM 0 HB2 GLN A 70 1.574 8.451 -22.108 1.00 4.24 H new ATOM 0 HB3 GLN A 70 2.440 7.183 -22.952 1.00 4.24 H new ATOM 0 HG2 GLN A 70 3.709 8.425 -20.525 1.00 60.23 H new ATOM 0 HG3 GLN A 70 2.384 7.300 -20.299 1.00 60.23 H new ATOM 0 HE21 GLN A 70 5.435 7.256 -19.823 1.00 54.33 H new ATOM 0 HE22 GLN A 70 5.939 5.714 -20.524 1.00 54.33 H new ATOM 1067 N GLY A 71 2.402 8.273 -25.077 1.00 50.33 N ATOM 1068 CA GLY A 71 2.389 7.908 -26.482 1.00 25.24 C ATOM 1069 C GLY A 71 1.069 8.230 -27.153 1.00 3.40 C ATOM 1070 O GLY A 71 0.820 7.811 -28.284 1.00 24.44 O ATOM 0 H GLY A 71 1.518 8.131 -24.589 1.00 50.33 H new ATOM 0 HA2 GLY A 71 3.193 8.433 -26.998 1.00 25.24 H new ATOM 0 HA3 GLY A 71 2.591 6.841 -26.579 1.00 25.24 H new ATOM 1074 N HIS A 72 0.219 8.977 -26.455 1.00 41.12 N ATOM 1075 CA HIS A 72 -1.084 9.355 -26.991 1.00 20.23 C ATOM 1076 C HIS A 72 -1.113 10.836 -27.355 1.00 41.03 C ATOM 1077 O HIS A 72 -0.479 11.659 -26.696 1.00 11.03 O ATOM 1078 CB HIS A 72 -2.185 9.046 -25.976 1.00 20.13 C ATOM 1079 CG HIS A 72 -3.263 8.156 -26.514 1.00 11.43 C ATOM 1080 ND1 HIS A 72 -4.607 8.409 -26.334 1.00 23.01 N ATOM 1081 CD2 HIS A 72 -3.190 7.012 -27.232 1.00 61.41 C ATOM 1082 CE1 HIS A 72 -5.313 7.457 -26.917 1.00 13.11 C ATOM 1083 NE2 HIS A 72 -4.477 6.597 -27.470 1.00 33.12 N ATOM 0 H HIS A 72 0.409 9.332 -25.518 1.00 41.12 H new ATOM 0 HA HIS A 72 -1.260 8.773 -27.896 1.00 20.23 H new ATOM 0 HB2 HIS A 72 -1.739 8.574 -25.101 1.00 20.13 H new ATOM 0 HB3 HIS A 72 -2.632 9.982 -25.641 1.00 20.13 H new ATOM 0 HD2 HIS A 72 -2.287 6.517 -27.558 1.00 61.41 H new ATOM 0 HE1 HIS A 72 -6.391 7.393 -26.938 1.00 13.11 H new ATOM 0 HE2 HIS A 72 -4.744 5.761 -27.989 1.00 33.12 H new ATOM 1091 N GLU A 73 -1.852 11.167 -28.410 1.00 23.22 N ATOM 1092 CA GLU A 73 -1.961 12.549 -28.862 1.00 61.20 C ATOM 1093 C GLU A 73 -3.397 12.881 -29.255 1.00 75.44 C ATOM 1094 O GLU A 73 -4.064 12.098 -29.933 1.00 41.44 O ATOM 1095 CB GLU A 73 -1.026 12.796 -30.048 1.00 3.25 C ATOM 1096 CG GLU A 73 -1.417 12.032 -31.301 1.00 64.50 C ATOM 1097 CD GLU A 73 -0.258 11.858 -32.263 1.00 62.45 C ATOM 1098 OE1 GLU A 73 0.270 12.881 -32.747 1.00 13.21 O ATOM 1099 OE2 GLU A 73 0.121 10.699 -32.533 1.00 62.14 O ATOM 0 H GLU A 73 -2.383 10.498 -28.967 1.00 23.22 H new ATOM 0 HA GLU A 73 -1.669 13.198 -28.037 1.00 61.20 H new ATOM 0 HB2 GLU A 73 -1.012 13.863 -30.273 1.00 3.25 H new ATOM 0 HB3 GLU A 73 -0.011 12.517 -29.764 1.00 3.25 H new ATOM 0 HG2 GLU A 73 -1.801 11.052 -31.019 1.00 64.50 H new ATOM 0 HG3 GLU A 73 -2.227 12.559 -31.805 1.00 64.50 H new ATOM 1106 N VAL A 74 -3.869 14.046 -28.824 1.00 44.54 N ATOM 1107 CA VAL A 74 -5.225 14.483 -29.131 1.00 54.32 C ATOM 1108 C VAL A 74 -5.240 15.924 -29.628 1.00 45.45 C ATOM 1109 O VAL A 74 -4.476 16.764 -29.151 1.00 51.05 O ATOM 1110 CB VAL A 74 -6.144 14.367 -27.900 1.00 51.54 C ATOM 1111 CG1 VAL A 74 -7.595 14.598 -28.293 1.00 53.25 C ATOM 1112 CG2 VAL A 74 -5.973 13.011 -27.234 1.00 61.20 C ATOM 0 H VAL A 74 -3.331 14.705 -28.261 1.00 44.54 H new ATOM 0 HA VAL A 74 -5.598 13.827 -29.918 1.00 54.32 H new ATOM 0 HB VAL A 74 -5.860 15.137 -27.183 1.00 51.54 H new ATOM 0 HG11 VAL A 74 -8.229 14.512 -27.411 1.00 53.25 H new ATOM 0 HG12 VAL A 74 -7.702 15.595 -28.721 1.00 53.25 H new ATOM 0 HG13 VAL A 74 -7.895 13.853 -29.030 1.00 53.25 H new ATOM 0 HG21 VAL A 74 -6.630 12.946 -26.366 1.00 61.20 H new ATOM 0 HG22 VAL A 74 -6.229 12.223 -27.942 1.00 61.20 H new ATOM 0 HG23 VAL A 74 -4.938 12.890 -26.915 1.00 61.20 H new ATOM 1122 N SER A 75 -6.113 16.204 -30.590 1.00 55.30 N ATOM 1123 CA SER A 75 -6.225 17.544 -31.155 1.00 73.11 C ATOM 1124 C SER A 75 -7.616 18.122 -30.910 1.00 44.42 C ATOM 1125 O SER A 75 -8.621 17.420 -31.018 1.00 61.11 O ATOM 1126 CB SER A 75 -5.930 17.513 -32.656 1.00 14.50 C ATOM 1127 OG SER A 75 -6.730 18.454 -33.352 1.00 60.10 O ATOM 0 H SER A 75 -6.753 15.521 -30.995 1.00 55.30 H new ATOM 0 HA SER A 75 -5.493 18.183 -30.661 1.00 73.11 H new ATOM 0 HB2 SER A 75 -4.876 17.730 -32.827 1.00 14.50 H new ATOM 0 HB3 SER A 75 -6.117 16.513 -33.046 1.00 14.50 H new ATOM 0 HG SER A 75 -6.522 18.416 -34.309 1.00 60.10 H new ATOM 1133 N PHE A 76 -7.664 19.409 -30.580 1.00 35.45 N ATOM 1134 CA PHE A 76 -8.931 20.083 -30.318 1.00 4.22 C ATOM 1135 C PHE A 76 -8.768 21.598 -30.403 1.00 64.10 C ATOM 1136 O PHE A 76 -7.763 22.151 -29.956 1.00 3.11 O ATOM 1137 CB PHE A 76 -9.465 19.693 -28.938 1.00 41.21 C ATOM 1138 CG PHE A 76 -8.499 19.970 -27.821 1.00 74.33 C ATOM 1139 CD1 PHE A 76 -7.449 19.103 -27.565 1.00 50.04 C ATOM 1140 CD2 PHE A 76 -8.642 21.097 -27.028 1.00 23.53 C ATOM 1141 CE1 PHE A 76 -6.560 19.355 -26.538 1.00 23.22 C ATOM 1142 CE2 PHE A 76 -7.755 21.354 -25.999 1.00 32.21 C ATOM 1143 CZ PHE A 76 -6.712 20.482 -25.754 1.00 52.24 C ATOM 0 H PHE A 76 -6.842 20.005 -30.488 1.00 35.45 H new ATOM 0 HA PHE A 76 -9.646 19.768 -31.078 1.00 4.22 H new ATOM 0 HB2 PHE A 76 -10.392 20.235 -28.749 1.00 41.21 H new ATOM 0 HB3 PHE A 76 -9.712 18.631 -28.939 1.00 41.21 H new ATOM 0 HD1 PHE A 76 -7.324 18.221 -28.175 1.00 50.04 H new ATOM 0 HD2 PHE A 76 -9.455 21.782 -27.216 1.00 23.53 H new ATOM 0 HE1 PHE A 76 -5.746 18.671 -26.348 1.00 23.22 H new ATOM 0 HE2 PHE A 76 -7.877 22.236 -25.387 1.00 32.21 H new ATOM 0 HZ PHE A 76 -6.017 20.681 -24.951 1.00 52.24 H new ATOM 1153 N ASP A 77 -9.763 22.262 -30.981 1.00 5.25 N ATOM 1154 CA ASP A 77 -9.731 23.713 -31.125 1.00 0.13 C ATOM 1155 C ASP A 77 -10.516 24.388 -30.004 1.00 72.32 C ATOM 1156 O ASP A 77 -11.500 23.841 -29.505 1.00 41.10 O ATOM 1157 CB ASP A 77 -10.301 24.124 -32.483 1.00 40.50 C ATOM 1158 CG ASP A 77 -9.723 23.310 -33.624 1.00 13.21 C ATOM 1159 OD1 ASP A 77 -8.508 23.434 -33.886 1.00 74.10 O ATOM 1160 OD2 ASP A 77 -10.486 22.548 -34.254 1.00 41.42 O ATOM 0 H ASP A 77 -10.601 21.819 -31.357 1.00 5.25 H new ATOM 0 HA ASP A 77 -8.692 24.037 -31.062 1.00 0.13 H new ATOM 0 HB2 ASP A 77 -11.385 24.007 -32.469 1.00 40.50 H new ATOM 0 HB3 ASP A 77 -10.097 25.181 -32.655 1.00 40.50 H new ATOM 1165 N VAL A 78 -10.074 25.579 -29.613 1.00 32.45 N ATOM 1166 CA VAL A 78 -10.735 26.328 -28.551 1.00 53.20 C ATOM 1167 C VAL A 78 -11.305 27.641 -29.078 1.00 22.43 C ATOM 1168 O VAL A 78 -10.705 28.291 -29.934 1.00 42.24 O ATOM 1169 CB VAL A 78 -9.768 26.630 -27.391 1.00 32.22 C ATOM 1170 CG1 VAL A 78 -8.735 27.663 -27.812 1.00 5.10 C ATOM 1171 CG2 VAL A 78 -10.537 27.101 -26.166 1.00 10.32 C ATOM 0 H VAL A 78 -9.261 26.046 -30.016 1.00 32.45 H new ATOM 0 HA VAL A 78 -11.549 25.703 -28.182 1.00 53.20 H new ATOM 0 HB VAL A 78 -9.242 25.711 -27.131 1.00 32.22 H new ATOM 0 HG11 VAL A 78 -8.061 27.863 -26.979 1.00 5.10 H new ATOM 0 HG12 VAL A 78 -8.163 27.282 -28.658 1.00 5.10 H new ATOM 0 HG13 VAL A 78 -9.239 28.585 -28.101 1.00 5.10 H new ATOM 0 HG21 VAL A 78 -9.838 27.310 -25.356 1.00 10.32 H new ATOM 0 HG22 VAL A 78 -11.091 28.007 -26.410 1.00 10.32 H new ATOM 0 HG23 VAL A 78 -11.234 26.324 -25.853 1.00 10.32 H new ATOM 1181 N LEU A 79 -12.466 28.025 -28.560 1.00 11.11 N ATOM 1182 CA LEU A 79 -13.118 29.262 -28.977 1.00 60.33 C ATOM 1183 C LEU A 79 -13.453 30.134 -27.772 1.00 15.11 C ATOM 1184 O LEU A 79 -13.974 29.649 -26.767 1.00 1.40 O ATOM 1185 CB LEU A 79 -14.391 28.949 -29.765 1.00 53.33 C ATOM 1186 CG LEU A 79 -14.221 28.779 -31.275 1.00 73.13 C ATOM 1187 CD1 LEU A 79 -15.379 27.982 -31.856 1.00 70.02 C ATOM 1188 CD2 LEU A 79 -14.111 30.135 -31.956 1.00 5.40 C ATOM 0 H LEU A 79 -12.976 27.498 -27.851 1.00 11.11 H new ATOM 0 HA LEU A 79 -12.427 29.810 -29.617 1.00 60.33 H new ATOM 0 HB2 LEU A 79 -14.827 28.034 -29.363 1.00 53.33 H new ATOM 0 HB3 LEU A 79 -15.110 29.749 -29.588 1.00 53.33 H new ATOM 0 HG LEU A 79 -13.299 28.227 -31.457 1.00 73.13 H new ATOM 0 HD11 LEU A 79 -15.241 27.871 -32.932 1.00 70.02 H new ATOM 0 HD12 LEU A 79 -15.412 26.997 -31.391 1.00 70.02 H new ATOM 0 HD13 LEU A 79 -16.315 28.506 -31.662 1.00 70.02 H new ATOM 0 HD21 LEU A 79 -13.991 29.994 -33.030 1.00 5.40 H new ATOM 0 HD22 LEU A 79 -15.015 30.713 -31.765 1.00 5.40 H new ATOM 0 HD23 LEU A 79 -13.248 30.671 -31.561 1.00 5.40 H new ATOM 1200 N VAL A 80 -13.154 31.425 -27.880 1.00 63.41 N ATOM 1201 CA VAL A 80 -13.426 32.366 -26.801 1.00 34.15 C ATOM 1202 C VAL A 80 -14.462 33.401 -27.223 1.00 14.50 C ATOM 1203 O VAL A 80 -14.404 33.938 -28.329 1.00 45.12 O ATOM 1204 CB VAL A 80 -12.144 33.092 -26.352 1.00 13.02 C ATOM 1205 CG1 VAL A 80 -11.542 33.876 -27.508 1.00 23.32 C ATOM 1206 CG2 VAL A 80 -12.436 34.006 -25.172 1.00 2.55 C ATOM 0 H VAL A 80 -12.723 31.843 -28.705 1.00 63.41 H new ATOM 0 HA VAL A 80 -13.816 31.785 -25.966 1.00 34.15 H new ATOM 0 HB VAL A 80 -11.417 32.346 -26.033 1.00 13.02 H new ATOM 0 HG11 VAL A 80 -10.637 34.382 -27.172 1.00 23.32 H new ATOM 0 HG12 VAL A 80 -11.295 33.193 -28.321 1.00 23.32 H new ATOM 0 HG13 VAL A 80 -12.262 34.615 -27.860 1.00 23.32 H new ATOM 0 HG21 VAL A 80 -11.519 34.511 -24.867 1.00 2.55 H new ATOM 0 HG22 VAL A 80 -13.180 34.748 -25.462 1.00 2.55 H new ATOM 0 HG23 VAL A 80 -12.818 33.415 -24.340 1.00 2.55 H new ATOM 1216 N SER A 81 -15.411 33.678 -26.334 1.00 51.20 N ATOM 1217 CA SER A 81 -16.463 34.648 -26.616 1.00 32.24 C ATOM 1218 C SER A 81 -16.433 35.791 -25.606 1.00 31.14 C ATOM 1219 O SER A 81 -15.829 35.694 -24.538 1.00 25.25 O ATOM 1220 CB SER A 81 -17.833 33.967 -26.592 1.00 30.13 C ATOM 1221 OG SER A 81 -18.331 33.777 -27.905 1.00 31.23 O ATOM 0 H SER A 81 -15.473 33.245 -25.413 1.00 51.20 H new ATOM 0 HA SER A 81 -16.287 35.060 -27.610 1.00 32.24 H new ATOM 0 HB2 SER A 81 -17.755 33.005 -26.086 1.00 30.13 H new ATOM 0 HB3 SER A 81 -18.534 34.573 -26.018 1.00 30.13 H new ATOM 0 HG SER A 81 -19.206 33.339 -27.863 1.00 31.23 H new ATOM 1227 N PRO A 82 -17.101 36.902 -25.950 1.00 75.53 N ATOM 1228 CA PRO A 82 -17.168 38.085 -25.088 1.00 44.32 C ATOM 1229 C PRO A 82 -18.011 37.847 -23.840 1.00 41.23 C ATOM 1230 O PRO A 82 -19.114 37.305 -23.917 1.00 65.24 O ATOM 1231 CB PRO A 82 -17.823 39.140 -25.983 1.00 70.13 C ATOM 1232 CG PRO A 82 -18.614 38.357 -26.974 1.00 14.34 C ATOM 1233 CD PRO A 82 -17.845 37.087 -27.208 1.00 4.10 C ATOM 0 HA PRO A 82 -16.185 38.373 -24.715 1.00 44.32 H new ATOM 0 HB2 PRO A 82 -18.462 39.808 -25.405 1.00 70.13 H new ATOM 0 HB3 PRO A 82 -17.075 39.761 -26.475 1.00 70.13 H new ATOM 0 HG2 PRO A 82 -19.613 38.144 -26.594 1.00 14.34 H new ATOM 0 HG3 PRO A 82 -18.738 38.915 -27.902 1.00 14.34 H new ATOM 0 HD2 PRO A 82 -18.509 36.246 -27.409 1.00 4.10 H new ATOM 0 HD3 PRO A 82 -17.174 37.175 -28.062 1.00 4.10 H new