USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 474 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 25 GLN : amide:sc= -0.401 K(o=-0.4,f=-1.3!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -157:sc= 1.21 USER MOD Single : A 48 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-1) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -3.19! K(o=-3.2!,f=-4.3) USER MOD Single : A 65 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.44) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00664 USER MOD Single : A 74 HIS : no HD1:sc= -0.923 K(o=-0.92,f=-2.3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N GLN A 25 6.249 3.602 -15.830 1.00 14.13 N ATOM 70 CA GLN A 25 7.530 3.877 -16.469 1.00 52.21 C ATOM 71 C GLN A 25 7.442 5.116 -17.354 1.00 54.11 C ATOM 72 O GLN A 25 8.440 5.798 -17.585 1.00 41.32 O ATOM 73 CB GLN A 25 7.978 2.673 -17.300 1.00 1.53 C ATOM 74 CG GLN A 25 6.936 2.204 -18.302 1.00 43.13 C ATOM 75 CD GLN A 25 7.494 2.076 -19.706 1.00 74.32 C ATOM 76 OE1 GLN A 25 8.415 2.798 -20.089 1.00 73.53 O ATOM 77 NE2 GLN A 25 6.937 1.153 -20.482 1.00 52.34 N ATOM 0 HA GLN A 25 8.265 4.063 -15.686 1.00 52.21 H new ATOM 0 HB2 GLN A 25 8.893 2.931 -17.834 1.00 1.53 H new ATOM 0 HB3 GLN A 25 8.221 1.849 -16.629 1.00 1.53 H new ATOM 0 HG2 GLN A 25 6.539 1.240 -17.983 1.00 43.13 H new ATOM 0 HG3 GLN A 25 6.102 2.906 -18.309 1.00 43.13 H new ATOM 0 HE21 GLN A 25 6.176 0.577 -20.123 1.00 52.34 H new ATOM 0 HE22 GLN A 25 7.271 1.021 -21.437 1.00 52.34 H new ATOM 86 N ASP A 26 6.241 5.401 -17.847 1.00 22.24 N ATOM 87 CA ASP A 26 6.022 6.558 -18.706 1.00 43.51 C ATOM 88 C ASP A 26 5.591 7.770 -17.886 1.00 53.21 C ATOM 89 O ASP A 26 4.624 8.452 -18.228 1.00 14.20 O ATOM 90 CB ASP A 26 4.966 6.241 -19.765 1.00 54.45 C ATOM 91 CG ASP A 26 5.017 4.796 -20.220 1.00 42.12 C ATOM 92 OD1 ASP A 26 6.031 4.403 -20.836 1.00 14.13 O ATOM 93 OD2 ASP A 26 4.045 4.058 -19.960 1.00 33.42 O ATOM 0 H ASP A 26 5.405 4.846 -17.666 1.00 22.24 H new ATOM 0 HA ASP A 26 6.963 6.794 -19.202 1.00 43.51 H new ATOM 0 HB2 ASP A 26 3.976 6.457 -19.363 1.00 54.45 H new ATOM 0 HB3 ASP A 26 5.111 6.895 -20.625 1.00 54.45 H new ATOM 98 N LEU A 27 6.313 8.032 -16.802 1.00 52.12 N ATOM 99 CA LEU A 27 6.004 9.162 -15.932 1.00 23.51 C ATOM 100 C LEU A 27 7.013 10.289 -16.125 1.00 53.53 C ATOM 101 O LEU A 27 8.215 10.099 -15.943 1.00 62.52 O ATOM 102 CB LEU A 27 5.995 8.716 -14.469 1.00 23.53 C ATOM 103 CG LEU A 27 5.967 9.834 -13.426 1.00 73.13 C ATOM 104 CD1 LEU A 27 4.654 9.815 -12.659 1.00 12.00 C ATOM 105 CD2 LEU A 27 7.146 9.704 -12.473 1.00 13.51 C ATOM 0 H LEU A 27 7.116 7.478 -16.504 1.00 52.12 H new ATOM 0 HA LEU A 27 5.015 9.535 -16.198 1.00 23.51 H new ATOM 0 HB2 LEU A 27 5.127 8.077 -14.310 1.00 23.53 H new ATOM 0 HB3 LEU A 27 6.879 8.103 -14.292 1.00 23.53 H new ATOM 0 HG LEU A 27 6.048 10.790 -13.943 1.00 73.13 H new ATOM 0 HD11 LEU A 27 4.652 10.617 -11.921 1.00 12.00 H new ATOM 0 HD12 LEU A 27 3.825 9.958 -13.353 1.00 12.00 H new ATOM 0 HD13 LEU A 27 4.542 8.856 -12.153 1.00 12.00 H new ATOM 0 HD21 LEU A 27 7.110 10.508 -11.738 1.00 13.51 H new ATOM 0 HD22 LEU A 27 7.097 8.742 -11.962 1.00 13.51 H new ATOM 0 HD23 LEU A 27 8.077 9.768 -13.036 1.00 13.51 H new ATOM 117 N ASP A 28 6.514 11.465 -16.493 1.00 64.32 N ATOM 118 CA ASP A 28 7.371 12.625 -16.708 1.00 63.01 C ATOM 119 C ASP A 28 8.348 12.801 -15.550 1.00 25.20 C ATOM 120 O ASP A 28 7.969 12.694 -14.383 1.00 51.24 O ATOM 121 CB ASP A 28 6.524 13.888 -16.873 1.00 61.32 C ATOM 122 CG ASP A 28 7.126 14.863 -17.865 1.00 4.30 C ATOM 123 OD1 ASP A 28 8.367 14.873 -18.009 1.00 13.05 O ATOM 124 OD2 ASP A 28 6.357 15.618 -18.497 1.00 65.11 O ATOM 0 H ASP A 28 5.521 11.639 -16.648 1.00 64.32 H new ATOM 0 HA ASP A 28 7.943 12.459 -17.621 1.00 63.01 H new ATOM 0 HB2 ASP A 28 5.523 13.610 -17.203 1.00 61.32 H new ATOM 0 HB3 ASP A 28 6.416 14.379 -15.906 1.00 61.32 H new ATOM 129 N ILE A 29 9.607 13.069 -15.880 1.00 41.42 N ATOM 130 CA ILE A 29 10.638 13.260 -14.868 1.00 21.35 C ATOM 131 C ILE A 29 10.296 14.427 -13.948 1.00 4.11 C ATOM 132 O ILE A 29 10.813 14.526 -12.835 1.00 43.15 O ATOM 133 CB ILE A 29 12.016 13.511 -15.507 1.00 42.24 C ATOM 134 CG1 ILE A 29 13.116 13.440 -14.446 1.00 41.52 C ATOM 135 CG2 ILE A 29 12.036 14.861 -16.209 1.00 72.23 C ATOM 136 CD1 ILE A 29 13.236 12.083 -13.789 1.00 54.13 C ATOM 0 H ILE A 29 9.937 13.159 -16.841 1.00 41.42 H new ATOM 0 HA ILE A 29 10.680 12.340 -14.284 1.00 21.35 H new ATOM 0 HB ILE A 29 12.203 12.734 -16.249 1.00 42.24 H new ATOM 0 HG12 ILE A 29 14.070 13.698 -14.906 1.00 41.52 H new ATOM 0 HG13 ILE A 29 12.919 14.190 -13.679 1.00 41.52 H new ATOM 0 HG21 ILE A 29 13.017 15.024 -16.656 1.00 72.23 H new ATOM 0 HG22 ILE A 29 11.275 14.877 -16.989 1.00 72.23 H new ATOM 0 HG23 ILE A 29 11.831 15.650 -15.486 1.00 72.23 H new ATOM 0 HD11 ILE A 29 14.035 12.107 -13.048 1.00 54.13 H new ATOM 0 HD12 ILE A 29 12.295 11.831 -13.300 1.00 54.13 H new ATOM 0 HD13 ILE A 29 13.464 11.332 -14.545 1.00 54.13 H new ATOM 148 N ALA A 30 9.421 15.308 -14.420 1.00 13.42 N ATOM 149 CA ALA A 30 9.007 16.467 -13.639 1.00 15.23 C ATOM 150 C ALA A 30 8.012 16.070 -12.553 1.00 1.31 C ATOM 151 O ALA A 30 8.023 16.625 -11.454 1.00 50.20 O ATOM 152 CB ALA A 30 8.403 17.528 -14.547 1.00 43.04 C ATOM 0 H ALA A 30 8.985 15.241 -15.340 1.00 13.42 H new ATOM 0 HA ALA A 30 9.891 16.881 -13.153 1.00 15.23 H new ATOM 0 HB1 ALA A 30 8.098 18.387 -13.950 1.00 43.04 H new ATOM 0 HB2 ALA A 30 9.143 17.841 -15.283 1.00 43.04 H new ATOM 0 HB3 ALA A 30 7.534 17.116 -15.060 1.00 43.04 H new ATOM 158 N VAL A 31 7.152 15.107 -12.868 1.00 22.21 N ATOM 159 CA VAL A 31 6.151 14.635 -11.919 1.00 11.32 C ATOM 160 C VAL A 31 6.786 13.777 -10.830 1.00 43.45 C ATOM 161 O VAL A 31 6.249 13.655 -9.730 1.00 34.41 O ATOM 162 CB VAL A 31 5.050 13.820 -12.623 1.00 22.21 C ATOM 163 CG1 VAL A 31 4.087 13.231 -11.603 1.00 63.54 C ATOM 164 CG2 VAL A 31 4.309 14.685 -13.631 1.00 12.23 C ATOM 0 H VAL A 31 7.128 14.638 -13.774 1.00 22.21 H new ATOM 0 HA VAL A 31 5.704 15.520 -11.465 1.00 11.32 H new ATOM 0 HB VAL A 31 5.519 12.997 -13.161 1.00 22.21 H new ATOM 0 HG11 VAL A 31 3.316 12.659 -12.119 1.00 63.54 H new ATOM 0 HG12 VAL A 31 4.632 12.576 -10.924 1.00 63.54 H new ATOM 0 HG13 VAL A 31 3.622 14.036 -11.035 1.00 63.54 H new ATOM 0 HG21 VAL A 31 3.535 14.093 -14.119 1.00 12.23 H new ATOM 0 HG22 VAL A 31 3.850 15.530 -13.118 1.00 12.23 H new ATOM 0 HG23 VAL A 31 5.010 15.053 -14.380 1.00 12.23 H new ATOM 174 N TRP A 32 7.933 13.186 -11.145 1.00 41.43 N ATOM 175 CA TRP A 32 8.643 12.339 -10.193 1.00 52.53 C ATOM 176 C TRP A 32 9.312 13.179 -9.111 1.00 10.40 C ATOM 177 O TRP A 32 9.094 12.961 -7.918 1.00 64.04 O ATOM 178 CB TRP A 32 9.689 11.490 -10.916 1.00 70.35 C ATOM 179 CG TRP A 32 10.299 10.432 -10.047 1.00 61.04 C ATOM 180 CD1 TRP A 32 9.641 9.438 -9.381 1.00 54.14 C ATOM 181 CD2 TRP A 32 11.689 10.265 -9.749 1.00 64.31 C ATOM 182 NE1 TRP A 32 10.538 8.663 -8.687 1.00 31.10 N ATOM 183 CE2 TRP A 32 11.801 9.149 -8.897 1.00 23.31 C ATOM 184 CE3 TRP A 32 12.851 10.947 -10.121 1.00 13.54 C ATOM 185 CZ2 TRP A 32 13.028 8.704 -8.411 1.00 72.51 C ATOM 186 CZ3 TRP A 32 14.067 10.505 -9.637 1.00 62.44 C ATOM 187 CH2 TRP A 32 14.148 9.391 -8.791 1.00 25.12 C ATOM 0 H TRP A 32 8.391 13.278 -12.052 1.00 41.43 H new ATOM 0 HA TRP A 32 7.916 11.680 -9.718 1.00 52.53 H new ATOM 0 HB2 TRP A 32 9.227 11.017 -11.782 1.00 70.35 H new ATOM 0 HB3 TRP A 32 10.478 12.141 -11.292 1.00 70.35 H new ATOM 0 HD1 TRP A 32 8.572 9.284 -9.397 1.00 54.14 H new ATOM 0 HE1 TRP A 32 10.302 7.856 -8.109 1.00 31.10 H new ATOM 0 HE3 TRP A 32 12.799 11.805 -10.775 1.00 13.54 H new ATOM 0 HZ2 TRP A 32 13.093 7.847 -7.757 1.00 72.51 H new ATOM 0 HZ3 TRP A 32 14.971 11.027 -9.915 1.00 62.44 H new ATOM 0 HH2 TRP A 32 15.114 9.068 -8.432 1.00 25.12 H new ATOM 198 N LEU A 33 10.126 14.140 -9.533 1.00 4.31 N ATOM 199 CA LEU A 33 10.828 15.014 -8.599 1.00 33.05 C ATOM 200 C LEU A 33 9.865 16.005 -7.953 1.00 11.23 C ATOM 201 O LEU A 33 10.150 16.562 -6.893 1.00 42.21 O ATOM 202 CB LEU A 33 11.948 15.768 -9.317 1.00 72.03 C ATOM 203 CG LEU A 33 13.186 14.947 -9.677 1.00 63.32 C ATOM 204 CD1 LEU A 33 13.396 14.929 -11.183 1.00 74.54 C ATOM 205 CD2 LEU A 33 14.416 15.500 -8.973 1.00 24.04 C ATOM 0 H LEU A 33 10.316 14.334 -10.516 1.00 4.31 H new ATOM 0 HA LEU A 33 11.262 14.393 -7.815 1.00 33.05 H new ATOM 0 HB2 LEU A 33 11.541 16.196 -10.233 1.00 72.03 H new ATOM 0 HB3 LEU A 33 12.260 16.601 -8.687 1.00 72.03 H new ATOM 0 HG LEU A 33 13.028 13.922 -9.340 1.00 63.32 H new ATOM 0 HD11 LEU A 33 14.282 14.340 -11.420 1.00 74.54 H new ATOM 0 HD12 LEU A 33 12.525 14.486 -11.666 1.00 74.54 H new ATOM 0 HD13 LEU A 33 13.531 15.949 -11.544 1.00 74.54 H new ATOM 0 HD21 LEU A 33 15.288 14.903 -9.241 1.00 24.04 H new ATOM 0 HD22 LEU A 33 14.576 16.534 -9.279 1.00 24.04 H new ATOM 0 HD23 LEU A 33 14.267 15.460 -7.894 1.00 24.04 H new ATOM 217 N ALA A 34 8.723 16.219 -8.598 1.00 34.44 N ATOM 218 CA ALA A 34 7.716 17.139 -8.084 1.00 72.01 C ATOM 219 C ALA A 34 7.208 16.691 -6.718 1.00 25.14 C ATOM 220 O ALA A 34 6.710 17.499 -5.933 1.00 30.42 O ATOM 221 CB ALA A 34 6.559 17.257 -9.066 1.00 3.53 C ATOM 0 H ALA A 34 8.472 15.768 -9.478 1.00 34.44 H new ATOM 0 HA ALA A 34 8.181 18.118 -7.966 1.00 72.01 H new ATOM 0 HB1 ALA A 34 5.814 17.947 -8.670 1.00 3.53 H new ATOM 0 HB2 ALA A 34 6.929 17.631 -10.021 1.00 3.53 H new ATOM 0 HB3 ALA A 34 6.104 16.277 -9.212 1.00 3.53 H new ATOM 227 N THR A 35 7.338 15.398 -6.438 1.00 73.52 N ATOM 228 CA THR A 35 6.891 14.842 -5.167 1.00 73.33 C ATOM 229 C THR A 35 7.750 15.347 -4.014 1.00 31.32 C ATOM 230 O THR A 35 7.293 15.424 -2.873 1.00 72.53 O ATOM 231 CB THR A 35 6.927 13.302 -5.184 1.00 21.12 C ATOM 232 OG1 THR A 35 6.204 12.783 -4.062 1.00 72.33 O ATOM 233 CG2 THR A 35 8.361 12.794 -5.148 1.00 53.12 C ATOM 0 H THR A 35 7.750 14.716 -7.075 1.00 73.52 H new ATOM 0 HA THR A 35 5.862 15.172 -5.021 1.00 73.33 H new ATOM 0 HB THR A 35 6.460 12.960 -6.107 1.00 21.12 H new ATOM 0 HG1 THR A 35 6.230 11.804 -4.081 1.00 72.33 H new ATOM 0 HG21 THR A 35 8.361 11.704 -5.161 1.00 53.12 H new ATOM 0 HG22 THR A 35 8.901 13.167 -6.018 1.00 53.12 H new ATOM 0 HG23 THR A 35 8.849 13.146 -4.239 1.00 53.12 H new ATOM 241 N VAL A 36 8.997 15.691 -4.318 1.00 23.04 N ATOM 242 CA VAL A 36 9.920 16.191 -3.306 1.00 24.22 C ATOM 243 C VAL A 36 10.216 17.672 -3.515 1.00 33.21 C ATOM 244 O VAL A 36 11.147 18.220 -2.924 1.00 62.35 O ATOM 245 CB VAL A 36 11.246 15.407 -3.320 1.00 4.34 C ATOM 246 CG1 VAL A 36 11.031 13.984 -2.827 1.00 2.40 C ATOM 247 CG2 VAL A 36 11.853 15.411 -4.715 1.00 14.32 C ATOM 0 H VAL A 36 9.392 15.633 -5.257 1.00 23.04 H new ATOM 0 HA VAL A 36 9.435 16.054 -2.340 1.00 24.22 H new ATOM 0 HB VAL A 36 11.945 15.898 -2.643 1.00 4.34 H new ATOM 0 HG11 VAL A 36 11.979 13.446 -2.844 1.00 2.40 H new ATOM 0 HG12 VAL A 36 10.645 14.006 -1.808 1.00 2.40 H new ATOM 0 HG13 VAL A 36 10.315 13.479 -3.475 1.00 2.40 H new ATOM 0 HG21 VAL A 36 12.789 14.853 -4.706 1.00 14.32 H new ATOM 0 HG22 VAL A 36 11.159 14.945 -5.415 1.00 14.32 H new ATOM 0 HG23 VAL A 36 12.046 16.438 -5.025 1.00 14.32 H new ATOM 257 N HIS A 37 9.416 18.316 -4.359 1.00 72.31 N ATOM 258 CA HIS A 37 9.591 19.735 -4.646 1.00 15.11 C ATOM 259 C HIS A 37 10.927 19.989 -5.336 1.00 41.43 C ATOM 260 O HIS A 37 11.655 20.917 -4.980 1.00 24.30 O ATOM 261 CB HIS A 37 9.506 20.552 -3.356 1.00 60.20 C ATOM 262 CG HIS A 37 9.056 21.964 -3.570 1.00 3.31 C ATOM 263 ND1 HIS A 37 7.839 22.290 -4.130 1.00 21.00 N ATOM 264 CD2 HIS A 37 9.668 23.140 -3.293 1.00 62.45 C ATOM 265 CE1 HIS A 37 7.722 23.604 -4.191 1.00 4.55 C ATOM 266 NE2 HIS A 37 8.819 24.144 -3.689 1.00 32.33 N ATOM 0 H HIS A 37 8.641 17.878 -4.856 1.00 72.31 H new ATOM 0 HA HIS A 37 8.791 20.046 -5.318 1.00 15.11 H new ATOM 0 HB2 HIS A 37 8.818 20.060 -2.669 1.00 60.20 H new ATOM 0 HB3 HIS A 37 10.484 20.560 -2.876 1.00 60.20 H new ATOM 0 HD2 HIS A 37 10.642 23.265 -2.844 1.00 62.45 H new ATOM 0 HE1 HIS A 37 6.874 24.145 -4.584 1.00 4.55 H new ATOM 0 HE2 HIS A 37 9.005 25.144 -3.609 1.00 32.33 H new ATOM 274 N LEU A 38 11.244 19.160 -6.325 1.00 0.24 N ATOM 275 CA LEU A 38 12.494 19.295 -7.065 1.00 32.40 C ATOM 276 C LEU A 38 12.272 19.056 -8.555 1.00 63.21 C ATOM 277 O LEU A 38 13.210 18.744 -9.289 1.00 55.30 O ATOM 278 CB LEU A 38 13.535 18.311 -6.529 1.00 5.24 C ATOM 279 CG LEU A 38 14.044 18.579 -5.112 1.00 20.24 C ATOM 280 CD1 LEU A 38 15.011 17.489 -4.677 1.00 22.31 C ATOM 281 CD2 LEU A 38 14.708 19.946 -5.032 1.00 73.14 C ATOM 0 H LEU A 38 10.653 18.388 -6.633 1.00 0.24 H new ATOM 0 HA LEU A 38 12.861 20.312 -6.929 1.00 32.40 H new ATOM 0 HB2 LEU A 38 13.107 17.309 -6.556 1.00 5.24 H new ATOM 0 HB3 LEU A 38 14.389 18.311 -7.207 1.00 5.24 H new ATOM 0 HG LEU A 38 13.191 18.572 -4.434 1.00 20.24 H new ATOM 0 HD11 LEU A 38 15.363 17.697 -3.666 1.00 22.31 H new ATOM 0 HD12 LEU A 38 14.503 16.525 -4.694 1.00 22.31 H new ATOM 0 HD13 LEU A 38 15.861 17.463 -5.359 1.00 22.31 H new ATOM 0 HD21 LEU A 38 15.064 20.119 -4.016 1.00 73.14 H new ATOM 0 HD22 LEU A 38 15.550 19.982 -5.723 1.00 73.14 H new ATOM 0 HD23 LEU A 38 13.986 20.717 -5.300 1.00 73.14 H new ATOM 293 N GLU A 39 11.027 19.206 -8.995 1.00 13.33 N ATOM 294 CA GLU A 39 10.683 19.008 -10.398 1.00 5.10 C ATOM 295 C GLU A 39 11.526 19.909 -11.297 1.00 22.43 C ATOM 296 O GLU A 39 11.743 19.604 -12.469 1.00 72.21 O ATOM 297 CB GLU A 39 9.197 19.288 -10.627 1.00 13.32 C ATOM 298 CG GLU A 39 8.849 20.767 -10.624 1.00 54.31 C ATOM 299 CD GLU A 39 7.356 21.015 -10.517 1.00 5.32 C ATOM 300 OE1 GLU A 39 6.593 20.384 -11.277 1.00 44.14 O ATOM 301 OE2 GLU A 39 6.952 21.841 -9.671 1.00 62.14 O ATOM 0 H GLU A 39 10.240 19.464 -8.400 1.00 13.33 H new ATOM 0 HA GLU A 39 10.893 17.969 -10.654 1.00 5.10 H new ATOM 0 HB2 GLU A 39 8.897 18.855 -11.581 1.00 13.32 H new ATOM 0 HB3 GLU A 39 8.618 18.785 -9.853 1.00 13.32 H new ATOM 0 HG2 GLU A 39 9.355 21.254 -9.790 1.00 54.31 H new ATOM 0 HG3 GLU A 39 9.225 21.227 -11.538 1.00 54.31 H new ATOM 308 N GLN A 40 11.997 21.018 -10.737 1.00 45.55 N ATOM 309 CA GLN A 40 12.815 21.964 -11.488 1.00 60.14 C ATOM 310 C GLN A 40 14.065 21.285 -12.038 1.00 44.52 C ATOM 311 O GLN A 40 14.636 21.728 -13.036 1.00 31.43 O ATOM 312 CB GLN A 40 13.210 23.146 -10.601 1.00 71.14 C ATOM 313 CG GLN A 40 14.160 22.771 -9.476 1.00 1.04 C ATOM 314 CD GLN A 40 13.878 23.532 -8.196 1.00 14.54 C ATOM 315 OE1 GLN A 40 12.754 23.528 -7.692 1.00 52.33 O ATOM 316 NE2 GLN A 40 14.899 24.192 -7.661 1.00 32.42 N ATOM 0 H GLN A 40 11.827 21.284 -9.767 1.00 45.55 H new ATOM 0 HA GLN A 40 12.224 22.331 -12.327 1.00 60.14 H new ATOM 0 HB2 GLN A 40 13.677 23.913 -11.219 1.00 71.14 H new ATOM 0 HB3 GLN A 40 12.309 23.586 -10.173 1.00 71.14 H new ATOM 0 HG2 GLN A 40 14.083 21.701 -9.282 1.00 1.04 H new ATOM 0 HG3 GLN A 40 15.185 22.965 -9.791 1.00 1.04 H new ATOM 0 HE21 GLN A 40 15.814 24.169 -8.112 1.00 32.42 H new ATOM 0 HE22 GLN A 40 14.768 24.722 -6.800 1.00 32.42 H new ATOM 325 N TYR A 41 14.486 20.210 -11.381 1.00 42.44 N ATOM 326 CA TYR A 41 15.671 19.472 -11.803 1.00 0.42 C ATOM 327 C TYR A 41 15.377 18.632 -13.042 1.00 45.31 C ATOM 328 O TYR A 41 16.278 18.026 -13.622 1.00 74.20 O ATOM 329 CB TYR A 41 16.168 18.573 -10.669 1.00 55.34 C ATOM 330 CG TYR A 41 17.401 19.102 -9.973 1.00 41.11 C ATOM 331 CD1 TYR A 41 18.515 19.503 -10.700 1.00 24.42 C ATOM 332 CD2 TYR A 41 17.452 19.202 -8.588 1.00 53.11 C ATOM 333 CE1 TYR A 41 19.645 19.986 -10.068 1.00 33.54 C ATOM 334 CE2 TYR A 41 18.576 19.685 -7.947 1.00 43.24 C ATOM 335 CZ TYR A 41 19.670 20.075 -8.691 1.00 43.24 C ATOM 336 OH TYR A 41 20.793 20.557 -8.058 1.00 12.10 O ATOM 0 H TYR A 41 14.025 19.830 -10.554 1.00 42.44 H new ATOM 0 HA TYR A 41 16.448 20.194 -12.052 1.00 0.42 H new ATOM 0 HB2 TYR A 41 15.370 18.453 -9.936 1.00 55.34 H new ATOM 0 HB3 TYR A 41 16.384 17.583 -11.070 1.00 55.34 H new ATOM 0 HD1 TYR A 41 18.498 19.436 -11.778 1.00 24.42 H new ATOM 0 HD2 TYR A 41 16.598 18.897 -8.002 1.00 53.11 H new ATOM 0 HE1 TYR A 41 20.503 20.292 -10.648 1.00 33.54 H new ATOM 0 HE2 TYR A 41 18.598 19.757 -6.870 1.00 43.24 H new ATOM 0 HH TYR A 41 20.648 20.556 -7.089 1.00 12.10 H new ATOM 346 N ALA A 42 14.110 18.603 -13.442 1.00 65.22 N ATOM 347 CA ALA A 42 13.697 17.840 -14.614 1.00 11.34 C ATOM 348 C ALA A 42 14.424 18.320 -15.865 1.00 71.44 C ATOM 349 O ALA A 42 14.646 17.549 -16.800 1.00 35.24 O ATOM 350 CB ALA A 42 12.191 17.941 -14.804 1.00 52.23 C ATOM 0 H ALA A 42 13.352 19.099 -12.972 1.00 65.22 H new ATOM 0 HA ALA A 42 13.962 16.796 -14.450 1.00 11.34 H new ATOM 0 HB1 ALA A 42 11.896 17.367 -15.682 1.00 52.23 H new ATOM 0 HB2 ALA A 42 11.686 17.543 -13.924 1.00 52.23 H new ATOM 0 HB3 ALA A 42 11.911 18.985 -14.942 1.00 52.23 H new ATOM 356 N ASP A 43 14.792 19.596 -15.878 1.00 31.11 N ATOM 357 CA ASP A 43 15.495 20.178 -17.015 1.00 54.05 C ATOM 358 C ASP A 43 16.785 19.418 -17.304 1.00 23.21 C ATOM 359 O ASP A 43 16.912 18.756 -18.335 1.00 23.13 O ATOM 360 CB ASP A 43 15.805 21.652 -16.751 1.00 14.13 C ATOM 361 CG ASP A 43 15.343 22.553 -17.879 1.00 73.34 C ATOM 362 OD1 ASP A 43 14.133 22.541 -18.191 1.00 42.21 O ATOM 363 OD2 ASP A 43 16.191 23.270 -18.451 1.00 35.34 O ATOM 0 H ASP A 43 14.615 20.248 -15.113 1.00 31.11 H new ATOM 0 HA ASP A 43 14.847 20.102 -17.888 1.00 54.05 H new ATOM 0 HB2 ASP A 43 15.323 21.961 -15.823 1.00 14.13 H new ATOM 0 HB3 ASP A 43 16.879 21.774 -16.609 1.00 14.13 H new ATOM 368 N THR A 44 17.743 19.518 -16.387 1.00 34.43 N ATOM 369 CA THR A 44 19.024 18.842 -16.543 1.00 64.21 C ATOM 370 C THR A 44 18.835 17.343 -16.747 1.00 15.12 C ATOM 371 O THR A 44 19.621 16.696 -17.439 1.00 33.12 O ATOM 372 CB THR A 44 19.933 19.071 -15.321 1.00 2.22 C ATOM 373 OG1 THR A 44 21.205 18.448 -15.532 1.00 42.44 O ATOM 374 CG2 THR A 44 19.293 18.513 -14.058 1.00 44.35 C ATOM 0 H THR A 44 17.655 20.061 -15.528 1.00 34.43 H new ATOM 0 HA THR A 44 19.500 19.269 -17.426 1.00 64.21 H new ATOM 0 HB THR A 44 20.071 20.145 -15.196 1.00 2.22 H new ATOM 0 HG1 THR A 44 21.632 18.276 -14.667 1.00 42.44 H new ATOM 0 HG21 THR A 44 19.953 18.686 -13.208 1.00 44.35 H new ATOM 0 HG22 THR A 44 18.339 19.010 -13.883 1.00 44.35 H new ATOM 0 HG23 THR A 44 19.128 17.442 -14.176 1.00 44.35 H new ATOM 382 N PHE A 45 17.786 16.796 -16.141 1.00 11.44 N ATOM 383 CA PHE A 45 17.493 15.373 -16.256 1.00 31.55 C ATOM 384 C PHE A 45 17.144 15.003 -17.694 1.00 41.54 C ATOM 385 O PHE A 45 17.728 14.085 -18.270 1.00 32.12 O ATOM 386 CB PHE A 45 16.340 14.991 -15.325 1.00 75.23 C ATOM 387 CG PHE A 45 16.755 14.099 -14.190 1.00 72.03 C ATOM 388 CD1 PHE A 45 17.545 14.587 -13.162 1.00 63.31 C ATOM 389 CD2 PHE A 45 16.354 12.773 -14.151 1.00 44.23 C ATOM 390 CE1 PHE A 45 17.929 13.768 -12.117 1.00 64.11 C ATOM 391 CE2 PHE A 45 16.735 11.950 -13.109 1.00 21.44 C ATOM 392 CZ PHE A 45 17.523 12.448 -12.090 1.00 12.14 C ATOM 0 H PHE A 45 17.125 17.317 -15.565 1.00 11.44 H new ATOM 0 HA PHE A 45 18.386 14.820 -15.964 1.00 31.55 H new ATOM 0 HB2 PHE A 45 15.896 15.900 -14.919 1.00 75.23 H new ATOM 0 HB3 PHE A 45 15.566 14.490 -15.906 1.00 75.23 H new ATOM 0 HD1 PHE A 45 17.864 15.619 -13.177 1.00 63.31 H new ATOM 0 HD2 PHE A 45 15.737 12.379 -14.944 1.00 44.23 H new ATOM 0 HE1 PHE A 45 18.546 14.160 -11.322 1.00 64.11 H new ATOM 0 HE2 PHE A 45 16.417 10.918 -13.091 1.00 21.44 H new ATOM 0 HZ PHE A 45 17.821 11.807 -11.274 1.00 12.14 H new ATOM 402 N ARG A 46 16.188 15.726 -18.269 1.00 70.11 N ATOM 403 CA ARG A 46 15.759 15.474 -19.640 1.00 5.04 C ATOM 404 C ARG A 46 16.929 15.613 -20.609 1.00 44.33 C ATOM 405 O ARG A 46 17.112 14.784 -21.500 1.00 60.43 O ATOM 406 CB ARG A 46 14.640 16.440 -20.032 1.00 60.02 C ATOM 407 CG ARG A 46 13.411 16.341 -19.143 1.00 51.45 C ATOM 408 CD ARG A 46 12.737 17.694 -18.973 1.00 74.33 C ATOM 409 NE ARG A 46 11.484 17.779 -19.720 1.00 22.42 N ATOM 410 CZ ARG A 46 10.580 18.733 -19.531 1.00 74.15 C ATOM 411 NH1 ARG A 46 10.788 19.679 -18.626 1.00 72.20 N ATOM 412 NH2 ARG A 46 9.464 18.743 -20.250 1.00 62.31 N ATOM 0 H ARG A 46 15.696 16.491 -17.807 1.00 70.11 H new ATOM 0 HA ARG A 46 15.383 14.452 -19.695 1.00 5.04 H new ATOM 0 HB2 ARG A 46 15.023 17.460 -19.996 1.00 60.02 H new ATOM 0 HB3 ARG A 46 14.348 16.245 -21.064 1.00 60.02 H new ATOM 0 HG2 ARG A 46 12.704 15.633 -19.575 1.00 51.45 H new ATOM 0 HG3 ARG A 46 13.697 15.950 -18.166 1.00 51.45 H new ATOM 0 HD2 ARG A 46 12.541 17.871 -17.915 1.00 74.33 H new ATOM 0 HD3 ARG A 46 13.413 18.481 -19.308 1.00 74.33 H new ATOM 0 HE ARG A 46 11.293 17.067 -20.425 1.00 22.42 H new ATOM 0 HH11 ARG A 46 11.645 19.676 -18.072 1.00 72.20 H new ATOM 0 HH12 ARG A 46 10.091 20.410 -18.483 1.00 72.20 H new ATOM 0 HH21 ARG A 46 9.301 18.018 -20.948 1.00 62.31 H new ATOM 0 HH22 ARG A 46 8.770 19.476 -20.104 1.00 62.31 H new ATOM 426 N ARG A 47 17.718 16.668 -20.430 1.00 30.25 N ATOM 427 CA ARG A 47 18.869 16.917 -21.289 1.00 72.43 C ATOM 428 C ARG A 47 19.887 15.786 -21.176 1.00 20.24 C ATOM 429 O ARG A 47 20.762 15.636 -22.029 1.00 2.12 O ATOM 430 CB ARG A 47 19.527 18.248 -20.924 1.00 12.42 C ATOM 431 CG ARG A 47 20.265 18.901 -22.081 1.00 62.22 C ATOM 432 CD ARG A 47 19.300 19.524 -23.078 1.00 32.45 C ATOM 433 NE ARG A 47 19.178 18.725 -24.294 1.00 44.03 N ATOM 434 CZ ARG A 47 18.338 19.014 -25.282 1.00 21.41 C ATOM 435 NH1 ARG A 47 17.550 20.076 -25.197 1.00 10.41 N ATOM 436 NH2 ARG A 47 18.286 18.239 -26.358 1.00 35.54 N ATOM 0 H ARG A 47 17.581 17.364 -19.697 1.00 30.25 H new ATOM 0 HA ARG A 47 18.517 16.964 -22.320 1.00 72.43 H new ATOM 0 HB2 ARG A 47 18.762 18.934 -20.559 1.00 12.42 H new ATOM 0 HB3 ARG A 47 20.226 18.085 -20.104 1.00 12.42 H new ATOM 0 HG2 ARG A 47 20.939 19.667 -21.698 1.00 62.22 H new ATOM 0 HG3 ARG A 47 20.882 18.158 -22.586 1.00 62.22 H new ATOM 0 HD2 ARG A 47 18.319 19.631 -22.615 1.00 32.45 H new ATOM 0 HD3 ARG A 47 19.642 20.526 -23.336 1.00 32.45 H new ATOM 0 HE ARG A 47 19.770 17.900 -24.390 1.00 44.03 H new ATOM 0 HH11 ARG A 47 17.587 20.674 -24.372 1.00 10.41 H new ATOM 0 HH12 ARG A 47 16.906 20.295 -25.957 1.00 10.41 H new ATOM 0 HH21 ARG A 47 18.891 17.421 -26.427 1.00 35.54 H new ATOM 0 HH22 ARG A 47 17.641 18.462 -27.116 1.00 35.54 H new ATOM 450 N HIS A 48 19.767 14.992 -20.116 1.00 13.42 N ATOM 451 CA HIS A 48 20.677 13.875 -19.890 1.00 75.23 C ATOM 452 C HIS A 48 20.205 12.631 -20.637 1.00 72.04 C ATOM 453 O HIS A 48 20.879 11.602 -20.637 1.00 34.41 O ATOM 454 CB HIS A 48 20.788 13.574 -18.395 1.00 42.43 C ATOM 455 CG HIS A 48 22.200 13.426 -17.918 1.00 61.01 C ATOM 456 ND1 HIS A 48 22.646 12.325 -17.218 1.00 10.03 N ATOM 457 CD2 HIS A 48 23.269 14.247 -18.046 1.00 34.04 C ATOM 458 CE1 HIS A 48 23.927 12.476 -16.933 1.00 42.15 C ATOM 459 NE2 HIS A 48 24.329 13.634 -17.425 1.00 44.13 N ATOM 0 H HIS A 48 19.048 15.102 -19.400 1.00 13.42 H new ATOM 0 HA HIS A 48 21.659 14.156 -20.270 1.00 75.23 H new ATOM 0 HB2 HIS A 48 20.306 14.375 -17.835 1.00 42.43 H new ATOM 0 HB3 HIS A 48 20.241 12.657 -18.176 1.00 42.43 H new ATOM 0 HD2 HIS A 48 23.285 15.205 -18.544 1.00 34.04 H new ATOM 0 HE1 HIS A 48 24.541 11.773 -16.390 1.00 42.15 H new ATOM 0 HE2 HIS A 48 25.274 14.012 -17.355 1.00 44.13 H new ATOM 467 N GLY A 49 19.042 12.734 -21.274 1.00 33.14 N ATOM 468 CA GLY A 49 18.500 11.610 -22.015 1.00 14.13 C ATOM 469 C GLY A 49 17.495 10.813 -21.207 1.00 21.05 C ATOM 470 O GLY A 49 17.174 9.674 -21.550 1.00 3.33 O ATOM 0 H GLY A 49 18.466 13.576 -21.290 1.00 33.14 H new ATOM 0 HA2 GLY A 49 18.023 11.975 -22.925 1.00 14.13 H new ATOM 0 HA3 GLY A 49 19.315 10.955 -22.323 1.00 14.13 H new ATOM 474 N LEU A 50 16.998 11.410 -20.129 1.00 50.11 N ATOM 475 CA LEU A 50 16.025 10.748 -19.268 1.00 34.33 C ATOM 476 C LEU A 50 14.928 11.717 -18.839 1.00 53.25 C ATOM 477 O LEU A 50 15.077 12.445 -17.859 1.00 3.24 O ATOM 478 CB LEU A 50 16.718 10.167 -18.034 1.00 72.31 C ATOM 479 CG LEU A 50 18.028 10.839 -17.621 1.00 72.25 C ATOM 480 CD1 LEU A 50 18.142 10.900 -16.106 1.00 50.52 C ATOM 481 CD2 LEU A 50 19.217 10.100 -18.218 1.00 41.31 C ATOM 0 H LEU A 50 17.253 12.351 -19.831 1.00 50.11 H new ATOM 0 HA LEU A 50 15.567 9.938 -19.836 1.00 34.33 H new ATOM 0 HB2 LEU A 50 16.025 10.220 -17.194 1.00 72.31 H new ATOM 0 HB3 LEU A 50 16.917 9.111 -18.217 1.00 72.31 H new ATOM 0 HG LEU A 50 18.029 11.859 -18.006 1.00 72.25 H new ATOM 0 HD11 LEU A 50 19.080 11.381 -15.831 1.00 50.52 H new ATOM 0 HD12 LEU A 50 17.308 11.473 -15.701 1.00 50.52 H new ATOM 0 HD13 LEU A 50 18.120 9.889 -15.698 1.00 50.52 H new ATOM 0 HD21 LEU A 50 20.141 10.592 -17.914 1.00 41.31 H new ATOM 0 HD22 LEU A 50 19.221 9.069 -17.863 1.00 41.31 H new ATOM 0 HD23 LEU A 50 19.142 10.109 -19.305 1.00 41.31 H new ATOM 493 N ALA A 51 13.825 11.719 -19.581 1.00 15.44 N ATOM 494 CA ALA A 51 12.701 12.596 -19.275 1.00 73.11 C ATOM 495 C ALA A 51 11.610 11.846 -18.518 1.00 11.34 C ATOM 496 O ALA A 51 10.491 12.339 -18.369 1.00 41.12 O ATOM 497 CB ALA A 51 12.139 13.199 -20.554 1.00 32.20 C ATOM 0 H ALA A 51 13.686 11.124 -20.398 1.00 15.44 H new ATOM 0 HA ALA A 51 13.063 13.401 -18.635 1.00 73.11 H new ATOM 0 HB1 ALA A 51 11.300 13.852 -20.311 1.00 32.20 H new ATOM 0 HB2 ALA A 51 12.915 13.777 -21.055 1.00 32.20 H new ATOM 0 HB3 ALA A 51 11.798 12.401 -21.213 1.00 32.20 H new ATOM 503 N THR A 52 11.942 10.651 -18.040 1.00 21.20 N ATOM 504 CA THR A 52 10.990 9.832 -17.300 1.00 4.35 C ATOM 505 C THR A 52 11.684 9.051 -16.189 1.00 50.32 C ATOM 506 O THR A 52 12.879 8.770 -16.269 1.00 23.21 O ATOM 507 CB THR A 52 10.259 8.844 -18.227 1.00 33.20 C ATOM 508 OG1 THR A 52 11.200 7.945 -18.825 1.00 55.22 O ATOM 509 CG2 THR A 52 9.496 9.585 -19.314 1.00 40.44 C ATOM 0 H THR A 52 12.864 10.229 -18.152 1.00 21.20 H new ATOM 0 HA THR A 52 10.261 10.513 -16.861 1.00 4.35 H new ATOM 0 HB THR A 52 9.547 8.277 -17.628 1.00 33.20 H new ATOM 0 HG1 THR A 52 10.727 7.319 -19.412 1.00 55.22 H new ATOM 0 HG21 THR A 52 8.988 8.866 -19.956 1.00 40.44 H new ATOM 0 HG22 THR A 52 8.760 10.246 -18.856 1.00 40.44 H new ATOM 0 HG23 THR A 52 10.193 10.175 -19.910 1.00 40.44 H new ATOM 517 N ALA A 53 10.926 8.703 -15.154 1.00 41.44 N ATOM 518 CA ALA A 53 11.468 7.952 -14.029 1.00 40.01 C ATOM 519 C ALA A 53 11.841 6.533 -14.445 1.00 45.30 C ATOM 520 O ALA A 53 12.568 5.839 -13.735 1.00 74.33 O ATOM 521 CB ALA A 53 10.467 7.922 -12.884 1.00 1.15 C ATOM 0 H ALA A 53 9.935 8.929 -15.072 1.00 41.44 H new ATOM 0 HA ALA A 53 12.375 8.454 -13.692 1.00 40.01 H new ATOM 0 HB1 ALA A 53 10.885 7.358 -12.050 1.00 1.15 H new ATOM 0 HB2 ALA A 53 10.252 8.941 -12.561 1.00 1.15 H new ATOM 0 HB3 ALA A 53 9.545 7.446 -13.219 1.00 1.15 H new ATOM 527 N GLY A 54 11.339 6.108 -15.601 1.00 1.54 N ATOM 528 CA GLY A 54 11.631 4.774 -16.090 1.00 73.13 C ATOM 529 C GLY A 54 12.981 4.689 -16.775 1.00 13.45 C ATOM 530 O GLY A 54 13.638 3.650 -16.740 1.00 33.55 O ATOM 0 H GLY A 54 10.736 6.664 -16.207 1.00 1.54 H new ATOM 0 HA2 GLY A 54 11.605 4.071 -15.257 1.00 73.13 H new ATOM 0 HA3 GLY A 54 10.853 4.468 -16.789 1.00 73.13 H new ATOM 534 N ALA A 55 13.395 5.786 -17.400 1.00 51.32 N ATOM 535 CA ALA A 55 14.675 5.832 -18.095 1.00 62.13 C ATOM 536 C ALA A 55 15.755 6.453 -17.216 1.00 24.30 C ATOM 537 O ALA A 55 16.901 6.605 -17.639 1.00 1.44 O ATOM 538 CB ALA A 55 14.542 6.608 -19.397 1.00 75.44 C ATOM 0 H ALA A 55 12.862 6.655 -17.439 1.00 51.32 H new ATOM 0 HA ALA A 55 14.972 4.809 -18.323 1.00 62.13 H new ATOM 0 HB1 ALA A 55 15.506 6.634 -19.905 1.00 75.44 H new ATOM 0 HB2 ALA A 55 13.807 6.121 -20.038 1.00 75.44 H new ATOM 0 HB3 ALA A 55 14.218 7.626 -19.182 1.00 75.44 H new ATOM 544 N ALA A 56 15.382 6.809 -15.991 1.00 44.53 N ATOM 545 CA ALA A 56 16.320 7.413 -15.052 1.00 61.54 C ATOM 546 C ALA A 56 16.453 6.567 -13.790 1.00 43.22 C ATOM 547 O ALA A 56 17.342 6.795 -12.970 1.00 4.51 O ATOM 548 CB ALA A 56 15.879 8.825 -14.700 1.00 13.24 C ATOM 0 H ALA A 56 14.437 6.690 -15.626 1.00 44.53 H new ATOM 0 HA ALA A 56 17.298 7.460 -15.532 1.00 61.54 H new ATOM 0 HB1 ALA A 56 16.589 9.263 -13.998 1.00 13.24 H new ATOM 0 HB2 ALA A 56 15.842 9.431 -15.605 1.00 13.24 H new ATOM 0 HB3 ALA A 56 14.890 8.794 -14.244 1.00 13.24 H new ATOM 554 N ARG A 57 15.564 5.591 -13.641 1.00 12.12 N ATOM 555 CA ARG A 57 15.581 4.713 -12.477 1.00 44.11 C ATOM 556 C ARG A 57 16.942 4.039 -12.325 1.00 72.11 C ATOM 557 O ARG A 57 17.312 3.603 -11.236 1.00 10.22 O ATOM 558 CB ARG A 57 14.485 3.653 -12.595 1.00 61.41 C ATOM 559 CG ARG A 57 14.530 2.872 -13.899 1.00 3.52 C ATOM 560 CD ARG A 57 14.565 1.373 -13.650 1.00 34.34 C ATOM 561 NE ARG A 57 14.878 0.623 -14.863 1.00 43.32 N ATOM 562 CZ ARG A 57 16.102 0.525 -15.371 1.00 10.04 C ATOM 563 NH1 ARG A 57 17.122 1.125 -14.772 1.00 55.21 N ATOM 564 NH2 ARG A 57 16.308 -0.175 -16.479 1.00 32.33 N ATOM 0 H ARG A 57 14.823 5.388 -14.312 1.00 12.12 H new ATOM 0 HA ARG A 57 15.395 5.321 -11.592 1.00 44.11 H new ATOM 0 HB2 ARG A 57 14.574 2.957 -11.761 1.00 61.41 H new ATOM 0 HB3 ARG A 57 13.512 4.137 -12.504 1.00 61.41 H new ATOM 0 HG2 ARG A 57 13.658 3.121 -14.504 1.00 3.52 H new ATOM 0 HG3 ARG A 57 15.410 3.167 -14.471 1.00 3.52 H new ATOM 0 HD2 ARG A 57 15.308 1.150 -12.884 1.00 34.34 H new ATOM 0 HD3 ARG A 57 13.600 1.048 -13.262 1.00 34.34 H new ATOM 0 HE ARG A 57 14.116 0.148 -15.347 1.00 43.32 H new ATOM 0 HH11 ARG A 57 16.968 1.663 -13.919 1.00 55.21 H new ATOM 0 HH12 ARG A 57 18.061 1.048 -15.164 1.00 55.21 H new ATOM 0 HH21 ARG A 57 15.526 -0.639 -16.942 1.00 32.33 H new ATOM 0 HH22 ARG A 57 17.248 -0.249 -16.868 1.00 32.33 H new ATOM 578 N GLY A 58 17.682 3.956 -13.427 1.00 2.54 N ATOM 579 CA GLY A 58 18.993 3.334 -13.395 1.00 34.24 C ATOM 580 C GLY A 58 20.083 4.299 -12.973 1.00 31.45 C ATOM 581 O GLY A 58 21.270 3.987 -13.071 1.00 25.12 O ATOM 0 H GLY A 58 17.397 4.308 -14.341 1.00 2.54 H new ATOM 0 HA2 GLY A 58 18.974 2.489 -12.707 1.00 34.24 H new ATOM 0 HA3 GLY A 58 19.227 2.936 -14.382 1.00 34.24 H new ATOM 585 N LEU A 59 19.681 5.474 -12.503 1.00 13.32 N ATOM 586 CA LEU A 59 20.633 6.490 -12.065 1.00 74.44 C ATOM 587 C LEU A 59 21.214 6.139 -10.699 1.00 73.24 C ATOM 588 O LEU A 59 20.559 5.493 -9.882 1.00 50.02 O ATOM 589 CB LEU A 59 19.956 7.860 -12.008 1.00 12.24 C ATOM 590 CG LEU A 59 20.076 8.722 -13.265 1.00 63.21 C ATOM 591 CD1 LEU A 59 19.329 10.034 -13.087 1.00 34.02 C ATOM 592 CD2 LEU A 59 21.539 8.980 -13.596 1.00 51.05 C ATOM 0 H LEU A 59 18.702 5.748 -12.415 1.00 13.32 H new ATOM 0 HA LEU A 59 21.448 6.525 -12.788 1.00 74.44 H new ATOM 0 HB2 LEU A 59 18.898 7.711 -11.794 1.00 12.24 H new ATOM 0 HB3 LEU A 59 20.376 8.416 -11.170 1.00 12.24 H new ATOM 0 HG LEU A 59 19.625 8.182 -14.097 1.00 63.21 H new ATOM 0 HD11 LEU A 59 19.426 10.634 -13.992 1.00 34.02 H new ATOM 0 HD12 LEU A 59 18.275 9.830 -12.898 1.00 34.02 H new ATOM 0 HD13 LEU A 59 19.750 10.580 -12.243 1.00 34.02 H new ATOM 0 HD21 LEU A 59 21.606 9.595 -14.493 1.00 51.05 H new ATOM 0 HD22 LEU A 59 22.014 9.499 -12.764 1.00 51.05 H new ATOM 0 HD23 LEU A 59 22.046 8.031 -13.768 1.00 51.05 H new ATOM 604 N GLY A 60 22.448 6.571 -10.458 1.00 13.20 N ATOM 605 CA GLY A 60 23.096 6.295 -9.189 1.00 75.01 C ATOM 606 C GLY A 60 23.596 7.553 -8.508 1.00 13.25 C ATOM 607 O GLY A 60 23.484 8.651 -9.054 1.00 74.24 O ATOM 0 H GLY A 60 23.010 7.107 -11.119 1.00 13.20 H new ATOM 0 HA2 GLY A 60 22.395 5.783 -8.530 1.00 75.01 H new ATOM 0 HA3 GLY A 60 23.933 5.616 -9.352 1.00 75.01 H new ATOM 611 N HIS A 61 24.148 7.395 -7.309 1.00 2.32 N ATOM 612 CA HIS A 61 24.667 8.529 -6.551 1.00 34.43 C ATOM 613 C HIS A 61 25.801 9.214 -7.306 1.00 51.42 C ATOM 614 O HIS A 61 25.779 10.428 -7.509 1.00 31.13 O ATOM 615 CB HIS A 61 25.157 8.069 -5.178 1.00 24.14 C ATOM 616 CG HIS A 61 24.355 8.620 -4.039 1.00 73.44 C ATOM 617 ND1 HIS A 61 24.074 9.962 -3.896 1.00 42.14 N ATOM 618 CD2 HIS A 61 23.770 8.000 -2.987 1.00 52.54 C ATOM 619 CE1 HIS A 61 23.353 10.145 -2.805 1.00 0.22 C ATOM 620 NE2 HIS A 61 23.154 8.970 -2.235 1.00 50.31 N ATOM 0 H HIS A 61 24.248 6.494 -6.842 1.00 2.32 H new ATOM 0 HA HIS A 61 23.858 9.247 -6.418 1.00 34.43 H new ATOM 0 HB2 HIS A 61 25.129 6.980 -5.138 1.00 24.14 H new ATOM 0 HB3 HIS A 61 26.199 8.366 -5.055 1.00 24.14 H new ATOM 0 HD2 HIS A 61 23.785 6.940 -2.778 1.00 52.54 H new ATOM 0 HE1 HIS A 61 22.988 11.094 -2.441 1.00 0.22 H new ATOM 0 HE2 HIS A 61 22.628 8.809 -1.376 1.00 50.31 H new ATOM 628 N GLU A 62 26.790 8.429 -7.719 1.00 64.45 N ATOM 629 CA GLU A 62 27.934 8.962 -8.451 1.00 33.21 C ATOM 630 C GLU A 62 27.494 9.569 -9.780 1.00 61.42 C ATOM 631 O GLU A 62 28.173 10.433 -10.333 1.00 54.34 O ATOM 632 CB GLU A 62 28.968 7.861 -8.697 1.00 50.42 C ATOM 633 CG GLU A 62 29.595 7.319 -7.424 1.00 13.14 C ATOM 634 CD GLU A 62 29.032 5.969 -7.026 1.00 35.45 C ATOM 635 OE1 GLU A 62 27.939 5.937 -6.421 1.00 2.13 O ATOM 636 OE2 GLU A 62 29.682 4.944 -7.318 1.00 44.12 O ATOM 0 H GLU A 62 26.823 7.422 -7.560 1.00 64.45 H new ATOM 0 HA GLU A 62 28.387 9.747 -7.845 1.00 33.21 H new ATOM 0 HB2 GLU A 62 28.492 7.041 -9.235 1.00 50.42 H new ATOM 0 HB3 GLU A 62 29.755 8.251 -9.342 1.00 50.42 H new ATOM 0 HG2 GLU A 62 30.673 7.233 -7.562 1.00 13.14 H new ATOM 0 HG3 GLU A 62 29.434 8.029 -6.613 1.00 13.14 H new ATOM 643 N GLU A 63 26.354 9.108 -10.286 1.00 65.24 N ATOM 644 CA GLU A 63 25.825 9.604 -11.551 1.00 43.23 C ATOM 645 C GLU A 63 25.144 10.956 -11.363 1.00 14.33 C ATOM 646 O GLU A 63 25.186 11.814 -12.245 1.00 41.44 O ATOM 647 CB GLU A 63 24.835 8.600 -12.145 1.00 22.23 C ATOM 648 CG GLU A 63 25.294 7.155 -12.034 1.00 54.42 C ATOM 649 CD GLU A 63 26.750 6.975 -12.414 1.00 64.14 C ATOM 650 OE1 GLU A 63 27.044 6.919 -13.627 1.00 53.11 O ATOM 651 OE2 GLU A 63 27.597 6.889 -11.500 1.00 54.32 O ATOM 0 H GLU A 63 25.780 8.393 -9.840 1.00 65.24 H new ATOM 0 HA GLU A 63 26.660 9.730 -12.240 1.00 43.23 H new ATOM 0 HB2 GLU A 63 23.875 8.707 -11.641 1.00 22.23 H new ATOM 0 HB3 GLU A 63 24.672 8.841 -13.195 1.00 22.23 H new ATOM 0 HG2 GLU A 63 25.143 6.807 -11.012 1.00 54.42 H new ATOM 0 HG3 GLU A 63 24.674 6.530 -12.678 1.00 54.42 H new ATOM 658 N LEU A 64 24.515 11.139 -10.207 1.00 31.01 N ATOM 659 CA LEU A 64 23.823 12.386 -9.901 1.00 52.21 C ATOM 660 C LEU A 64 24.812 13.540 -9.771 1.00 30.05 C ATOM 661 O LEU A 64 24.453 14.704 -9.954 1.00 24.54 O ATOM 662 CB LEU A 64 23.017 12.242 -8.609 1.00 31.30 C ATOM 663 CG LEU A 64 21.522 11.966 -8.777 1.00 64.44 C ATOM 664 CD1 LEU A 64 21.253 10.469 -8.776 1.00 34.01 C ATOM 665 CD2 LEU A 64 20.726 12.654 -7.679 1.00 13.22 C ATOM 0 H LEU A 64 24.470 10.439 -9.466 1.00 31.01 H new ATOM 0 HA LEU A 64 23.142 12.606 -10.724 1.00 52.21 H new ATOM 0 HB2 LEU A 64 23.452 11.433 -8.022 1.00 31.30 H new ATOM 0 HB3 LEU A 64 23.134 13.157 -8.028 1.00 31.30 H new ATOM 0 HG LEU A 64 21.202 12.371 -9.737 1.00 64.44 H new ATOM 0 HD11 LEU A 64 20.184 10.291 -8.896 1.00 34.01 H new ATOM 0 HD12 LEU A 64 21.794 10.002 -9.599 1.00 34.01 H new ATOM 0 HD13 LEU A 64 21.588 10.040 -7.832 1.00 34.01 H new ATOM 0 HD21 LEU A 64 19.665 12.447 -7.815 1.00 13.22 H new ATOM 0 HD22 LEU A 64 21.048 12.279 -6.707 1.00 13.22 H new ATOM 0 HD23 LEU A 64 20.894 13.730 -7.727 1.00 13.22 H new ATOM 677 N LYS A 65 26.060 13.210 -9.455 1.00 33.22 N ATOM 678 CA LYS A 65 27.103 14.217 -9.303 1.00 61.00 C ATOM 679 C LYS A 65 27.388 14.910 -10.632 1.00 32.13 C ATOM 680 O LYS A 65 27.521 16.132 -10.688 1.00 54.00 O ATOM 681 CB LYS A 65 28.384 13.576 -8.765 1.00 5.42 C ATOM 682 CG LYS A 65 28.146 12.612 -7.616 1.00 61.52 C ATOM 683 CD LYS A 65 29.454 12.133 -7.009 1.00 44.21 C ATOM 684 CE LYS A 65 29.215 11.229 -5.810 1.00 14.45 C ATOM 685 NZ LYS A 65 29.843 11.771 -4.573 1.00 32.03 N ATOM 0 H LYS A 65 26.374 12.252 -9.299 1.00 33.22 H new ATOM 0 HA LYS A 65 26.751 14.964 -8.592 1.00 61.00 H new ATOM 0 HB2 LYS A 65 28.883 13.045 -9.576 1.00 5.42 H new ATOM 0 HB3 LYS A 65 29.062 14.362 -8.434 1.00 5.42 H new ATOM 0 HG2 LYS A 65 27.545 13.100 -6.849 1.00 61.52 H new ATOM 0 HG3 LYS A 65 27.574 11.755 -7.972 1.00 61.52 H new ATOM 0 HD2 LYS A 65 30.030 11.595 -7.762 1.00 44.21 H new ATOM 0 HD3 LYS A 65 30.051 12.993 -6.704 1.00 44.21 H new ATOM 0 HE2 LYS A 65 28.143 11.112 -5.652 1.00 14.45 H new ATOM 0 HE3 LYS A 65 29.617 10.237 -6.017 1.00 14.45 H new ATOM 0 HZ1 LYS A 65 29.373 11.366 -3.739 1.00 32.03 H new ATOM 0 HZ2 LYS A 65 30.852 11.520 -4.558 1.00 32.03 H new ATOM 0 HZ3 LYS A 65 29.743 12.806 -4.558 1.00 32.03 H new ATOM 699 N GLN A 66 27.479 14.121 -11.698 1.00 12.23 N ATOM 700 CA GLN A 66 27.747 14.660 -13.026 1.00 11.44 C ATOM 701 C GLN A 66 26.477 15.230 -13.649 1.00 34.52 C ATOM 702 O GLN A 66 26.531 15.951 -14.645 1.00 52.35 O ATOM 703 CB GLN A 66 28.332 13.575 -13.931 1.00 55.24 C ATOM 704 CG GLN A 66 29.682 13.941 -14.525 1.00 63.21 C ATOM 705 CD GLN A 66 30.116 12.987 -15.621 1.00 14.10 C ATOM 706 OE1 GLN A 66 29.546 11.907 -15.781 1.00 55.54 O ATOM 707 NE2 GLN A 66 31.129 13.381 -16.383 1.00 1.42 N ATOM 0 H GLN A 66 27.371 13.107 -11.668 1.00 12.23 H new ATOM 0 HA GLN A 66 28.472 15.467 -12.924 1.00 11.44 H new ATOM 0 HB2 GLN A 66 28.434 12.653 -13.359 1.00 55.24 H new ATOM 0 HB3 GLN A 66 27.631 13.372 -14.741 1.00 55.24 H new ATOM 0 HG2 GLN A 66 29.635 14.953 -14.927 1.00 63.21 H new ATOM 0 HG3 GLN A 66 30.433 13.946 -13.735 1.00 63.21 H new ATOM 0 HE21 GLN A 66 31.572 14.284 -16.215 1.00 1.42 H new ATOM 0 HE22 GLN A 66 31.464 12.781 -17.136 1.00 1.42 H new ATOM 716 N LEU A 67 25.334 14.900 -13.056 1.00 42.22 N ATOM 717 CA LEU A 67 24.049 15.378 -13.553 1.00 53.33 C ATOM 718 C LEU A 67 23.889 16.874 -13.300 1.00 43.02 C ATOM 719 O LEU A 67 23.115 17.549 -13.977 1.00 11.42 O ATOM 720 CB LEU A 67 22.905 14.612 -12.887 1.00 31.11 C ATOM 721 CG LEU A 67 22.066 13.724 -13.807 1.00 25.31 C ATOM 722 CD1 LEU A 67 20.917 13.092 -13.037 1.00 1.21 C ATOM 723 CD2 LEU A 67 21.542 14.525 -14.989 1.00 40.33 C ATOM 0 H LEU A 67 25.272 14.304 -12.231 1.00 42.22 H new ATOM 0 HA LEU A 67 24.017 15.205 -14.629 1.00 53.33 H new ATOM 0 HB2 LEU A 67 23.323 13.989 -12.097 1.00 31.11 H new ATOM 0 HB3 LEU A 67 22.242 15.333 -12.408 1.00 31.11 H new ATOM 0 HG LEU A 67 22.702 12.926 -14.189 1.00 25.31 H new ATOM 0 HD11 LEU A 67 20.331 12.464 -13.708 1.00 1.21 H new ATOM 0 HD12 LEU A 67 21.315 12.483 -12.225 1.00 1.21 H new ATOM 0 HD13 LEU A 67 20.280 13.875 -12.625 1.00 1.21 H new ATOM 0 HD21 LEU A 67 20.947 13.877 -15.633 1.00 40.33 H new ATOM 0 HD22 LEU A 67 20.922 15.345 -14.627 1.00 40.33 H new ATOM 0 HD23 LEU A 67 22.381 14.928 -15.556 1.00 40.33 H new ATOM 735 N GLY A 68 24.630 17.386 -12.322 1.00 33.15 N ATOM 736 CA GLY A 68 24.557 18.799 -11.998 1.00 24.32 C ATOM 737 C GLY A 68 24.088 19.045 -10.578 1.00 34.22 C ATOM 738 O GLY A 68 23.708 20.163 -10.228 1.00 33.42 O ATOM 0 H GLY A 68 25.279 16.848 -11.748 1.00 33.15 H new ATOM 0 HA2 GLY A 68 25.539 19.251 -12.136 1.00 24.32 H new ATOM 0 HA3 GLY A 68 23.878 19.293 -12.692 1.00 24.32 H new ATOM 742 N ILE A 69 24.111 17.999 -9.759 1.00 25.12 N ATOM 743 CA ILE A 69 23.684 18.107 -8.369 1.00 50.35 C ATOM 744 C ILE A 69 24.880 18.091 -7.423 1.00 71.25 C ATOM 745 O ILE A 69 25.691 17.165 -7.448 1.00 42.42 O ATOM 746 CB ILE A 69 22.724 16.966 -7.985 1.00 71.02 C ATOM 747 CG1 ILE A 69 21.591 16.857 -9.008 1.00 11.23 C ATOM 748 CG2 ILE A 69 22.164 17.192 -6.589 1.00 5.24 C ATOM 749 CD1 ILE A 69 20.677 15.675 -8.774 1.00 22.43 C ATOM 0 H ILE A 69 24.421 17.067 -10.034 1.00 25.12 H new ATOM 0 HA ILE A 69 23.161 19.059 -8.273 1.00 50.35 H new ATOM 0 HB ILE A 69 23.280 16.028 -7.985 1.00 71.02 H new ATOM 0 HG12 ILE A 69 21.001 17.773 -8.983 1.00 11.23 H new ATOM 0 HG13 ILE A 69 22.020 16.782 -10.007 1.00 11.23 H new ATOM 0 HG21 ILE A 69 21.487 16.377 -6.332 1.00 5.24 H new ATOM 0 HG22 ILE A 69 22.982 17.225 -5.870 1.00 5.24 H new ATOM 0 HG23 ILE A 69 21.621 18.137 -6.563 1.00 5.24 H new ATOM 0 HD11 ILE A 69 19.898 15.661 -9.536 1.00 22.43 H new ATOM 0 HD12 ILE A 69 21.255 14.752 -8.828 1.00 22.43 H new ATOM 0 HD13 ILE A 69 20.219 15.759 -7.789 1.00 22.43 H new ATOM 761 N SER A 70 24.982 19.120 -6.589 1.00 15.31 N ATOM 762 CA SER A 70 26.079 19.226 -5.635 1.00 65.41 C ATOM 763 C SER A 70 25.564 19.137 -4.202 1.00 24.42 C ATOM 764 O SER A 70 26.318 18.834 -3.277 1.00 62.54 O ATOM 765 CB SER A 70 26.834 20.541 -5.837 1.00 41.11 C ATOM 766 OG SER A 70 27.961 20.619 -4.982 1.00 23.12 O ATOM 0 H SER A 70 24.318 19.893 -6.555 1.00 15.31 H new ATOM 0 HA SER A 70 26.761 18.394 -5.810 1.00 65.41 H new ATOM 0 HB2 SER A 70 27.155 20.624 -6.875 1.00 41.11 H new ATOM 0 HB3 SER A 70 26.167 21.381 -5.642 1.00 41.11 H new ATOM 0 HG SER A 70 28.427 21.468 -5.132 1.00 23.12 H new ATOM 772 N ALA A 71 24.274 19.403 -4.026 1.00 4.23 N ATOM 773 CA ALA A 71 23.657 19.352 -2.706 1.00 72.44 C ATOM 774 C ALA A 71 23.403 17.911 -2.275 1.00 51.20 C ATOM 775 O ALA A 71 22.439 17.281 -2.712 1.00 11.41 O ATOM 776 CB ALA A 71 22.357 20.143 -2.701 1.00 4.24 C ATOM 0 H ALA A 71 23.636 19.656 -4.781 1.00 4.23 H new ATOM 0 HA ALA A 71 24.346 19.802 -1.991 1.00 72.44 H new ATOM 0 HB1 ALA A 71 21.907 20.097 -1.709 1.00 4.24 H new ATOM 0 HB2 ALA A 71 22.562 21.182 -2.958 1.00 4.24 H new ATOM 0 HB3 ALA A 71 21.669 19.718 -3.432 1.00 4.24 H new ATOM 782 N THR A 72 24.274 17.393 -1.415 1.00 4.31 N ATOM 783 CA THR A 72 24.146 16.026 -0.926 1.00 54.40 C ATOM 784 C THR A 72 22.745 15.766 -0.384 1.00 52.01 C ATOM 785 O THR A 72 22.202 14.673 -0.539 1.00 21.23 O ATOM 786 CB THR A 72 25.175 15.726 0.179 1.00 25.23 C ATOM 787 OG1 THR A 72 26.471 16.188 -0.219 1.00 12.40 O ATOM 788 CG2 THR A 72 25.233 14.235 0.475 1.00 74.44 C ATOM 0 H THR A 72 25.077 17.900 -1.042 1.00 4.31 H new ATOM 0 HA THR A 72 24.333 15.368 -1.774 1.00 54.40 H new ATOM 0 HB THR A 72 24.865 16.249 1.084 1.00 25.23 H new ATOM 0 HG1 THR A 72 27.119 15.995 0.490 1.00 12.40 H new ATOM 0 HG21 THR A 72 25.967 14.048 1.259 1.00 74.44 H new ATOM 0 HG22 THR A 72 24.253 13.891 0.806 1.00 74.44 H new ATOM 0 HG23 THR A 72 25.521 13.696 -0.428 1.00 74.44 H new ATOM 796 N GLY A 73 22.163 16.779 0.252 1.00 64.31 N ATOM 797 CA GLY A 73 20.830 16.639 0.807 1.00 73.53 C ATOM 798 C GLY A 73 19.782 16.386 -0.259 1.00 51.53 C ATOM 799 O GLY A 73 18.820 15.652 -0.033 1.00 13.00 O ATOM 0 H GLY A 73 22.592 17.694 0.392 1.00 64.31 H new ATOM 0 HA2 GLY A 73 20.822 15.817 1.522 1.00 73.53 H new ATOM 0 HA3 GLY A 73 20.572 17.543 1.358 1.00 73.53 H new ATOM 803 N HIS A 74 19.967 16.998 -1.425 1.00 13.00 N ATOM 804 CA HIS A 74 19.028 16.837 -2.530 1.00 65.21 C ATOM 805 C HIS A 74 19.242 15.500 -3.234 1.00 3.13 C ATOM 806 O HIS A 74 18.286 14.848 -3.653 1.00 53.41 O ATOM 807 CB HIS A 74 19.183 17.983 -3.530 1.00 5.22 C ATOM 808 CG HIS A 74 18.900 19.332 -2.943 1.00 72.24 C ATOM 809 ND1 HIS A 74 19.380 20.505 -3.486 1.00 64.22 N ATOM 810 CD2 HIS A 74 18.178 19.690 -1.856 1.00 4.34 C ATOM 811 CE1 HIS A 74 18.968 21.526 -2.757 1.00 5.24 C ATOM 812 NE2 HIS A 74 18.237 21.059 -1.761 1.00 72.02 N ATOM 0 H HIS A 74 20.758 17.609 -1.629 1.00 13.00 H new ATOM 0 HA HIS A 74 18.018 16.855 -2.121 1.00 65.21 H new ATOM 0 HB2 HIS A 74 20.198 17.974 -3.926 1.00 5.22 H new ATOM 0 HB3 HIS A 74 18.511 17.814 -4.371 1.00 5.22 H new ATOM 0 HD2 HIS A 74 17.653 19.023 -1.188 1.00 4.34 H new ATOM 0 HE1 HIS A 74 19.191 22.566 -2.943 1.00 5.24 H new ATOM 0 HE2 HIS A 74 17.789 21.623 -1.039 1.00 72.02 H new ATOM 820 N ARG A 75 20.503 15.098 -3.360 1.00 51.30 N ATOM 821 CA ARG A 75 20.842 13.841 -4.015 1.00 31.53 C ATOM 822 C ARG A 75 20.182 12.663 -3.304 1.00 21.52 C ATOM 823 O ARG A 75 19.467 11.872 -3.920 1.00 51.54 O ATOM 824 CB ARG A 75 22.359 13.648 -4.042 1.00 43.34 C ATOM 825 CG ARG A 75 22.901 13.274 -5.412 1.00 51.25 C ATOM 826 CD ARG A 75 24.407 13.066 -5.378 1.00 51.03 C ATOM 827 NE ARG A 75 25.136 14.328 -5.472 1.00 21.13 N ATOM 828 CZ ARG A 75 26.374 14.496 -5.022 1.00 5.13 C ATOM 829 NH1 ARG A 75 27.018 13.488 -4.450 1.00 65.34 N ATOM 830 NH2 ARG A 75 26.971 15.675 -5.143 1.00 65.11 N ATOM 0 H ARG A 75 21.306 15.625 -3.017 1.00 51.30 H new ATOM 0 HA ARG A 75 20.469 13.882 -5.039 1.00 31.53 H new ATOM 0 HB2 ARG A 75 22.840 14.568 -3.709 1.00 43.34 H new ATOM 0 HB3 ARG A 75 22.631 12.870 -3.328 1.00 43.34 H new ATOM 0 HG2 ARG A 75 22.415 12.363 -5.760 1.00 51.25 H new ATOM 0 HG3 ARG A 75 22.657 14.059 -6.128 1.00 51.25 H new ATOM 0 HD2 ARG A 75 24.682 12.557 -4.454 1.00 51.03 H new ATOM 0 HD3 ARG A 75 24.702 12.415 -6.201 1.00 51.03 H new ATOM 0 HE ARG A 75 24.669 15.124 -5.907 1.00 21.13 H new ATOM 0 HH11 ARG A 75 26.563 12.580 -4.355 1.00 65.34 H new ATOM 0 HH12 ARG A 75 27.969 13.620 -4.105 1.00 65.34 H new ATOM 0 HH21 ARG A 75 26.479 16.453 -5.582 1.00 65.11 H new ATOM 0 HH22 ARG A 75 27.922 15.803 -4.797 1.00 65.11 H new ATOM 844 N LYS A 76 20.428 12.550 -2.003 1.00 14.52 N ATOM 845 CA LYS A 76 19.858 11.470 -1.206 1.00 52.24 C ATOM 846 C LYS A 76 18.341 11.603 -1.116 1.00 71.42 C ATOM 847 O LYS A 76 17.648 10.660 -0.734 1.00 72.51 O ATOM 848 CB LYS A 76 20.465 11.470 0.198 1.00 33.34 C ATOM 849 CG LYS A 76 21.981 11.373 0.206 1.00 15.21 C ATOM 850 CD LYS A 76 22.556 11.743 1.563 1.00 30.40 C ATOM 851 CE LYS A 76 22.147 10.742 2.633 1.00 61.21 C ATOM 852 NZ LYS A 76 23.328 10.166 3.334 1.00 11.12 N ATOM 0 H LYS A 76 21.019 13.194 -1.478 1.00 14.52 H new ATOM 0 HA LYS A 76 20.094 10.526 -1.697 1.00 52.24 H new ATOM 0 HB2 LYS A 76 20.165 12.382 0.714 1.00 33.34 H new ATOM 0 HB3 LYS A 76 20.053 10.634 0.763 1.00 33.34 H new ATOM 0 HG2 LYS A 76 22.283 10.358 -0.054 1.00 15.21 H new ATOM 0 HG3 LYS A 76 22.393 12.033 -0.557 1.00 15.21 H new ATOM 0 HD2 LYS A 76 23.643 11.785 1.499 1.00 30.40 H new ATOM 0 HD3 LYS A 76 22.214 12.739 1.845 1.00 30.40 H new ATOM 0 HE2 LYS A 76 21.497 11.231 3.358 1.00 61.21 H new ATOM 0 HE3 LYS A 76 21.568 9.939 2.177 1.00 61.21 H new ATOM 0 HZ1 LYS A 76 23.007 9.489 4.055 1.00 11.12 H new ATOM 0 HZ2 LYS A 76 23.936 9.677 2.646 1.00 11.12 H new ATOM 0 HZ3 LYS A 76 23.867 10.929 3.791 1.00 11.12 H new ATOM 866 N ARG A 77 17.832 12.778 -1.471 1.00 72.35 N ATOM 867 CA ARG A 77 16.397 13.032 -1.431 1.00 11.44 C ATOM 868 C ARG A 77 15.703 12.432 -2.650 1.00 42.41 C ATOM 869 O ARG A 77 14.498 12.181 -2.630 1.00 30.14 O ATOM 870 CB ARG A 77 16.126 14.537 -1.365 1.00 61.43 C ATOM 871 CG ARG A 77 14.662 14.883 -1.146 1.00 45.00 C ATOM 872 CD ARG A 77 14.503 16.264 -0.531 1.00 1.53 C ATOM 873 NE ARG A 77 14.276 16.199 0.910 1.00 32.15 N ATOM 874 CZ ARG A 77 13.162 15.725 1.458 1.00 63.40 C ATOM 875 NH1 ARG A 77 12.180 15.276 0.688 1.00 1.35 N ATOM 876 NH2 ARG A 77 13.030 15.698 2.778 1.00 30.40 N ATOM 0 H ARG A 77 18.392 13.569 -1.789 1.00 72.35 H new ATOM 0 HA ARG A 77 15.994 12.557 -0.536 1.00 11.44 H new ATOM 0 HB2 ARG A 77 16.717 14.969 -0.558 1.00 61.43 H new ATOM 0 HB3 ARG A 77 16.465 15.000 -2.292 1.00 61.43 H new ATOM 0 HG2 ARG A 77 14.131 14.844 -2.097 1.00 45.00 H new ATOM 0 HG3 ARG A 77 14.204 14.138 -0.495 1.00 45.00 H new ATOM 0 HD2 ARG A 77 15.397 16.855 -0.731 1.00 1.53 H new ATOM 0 HD3 ARG A 77 13.668 16.779 -1.007 1.00 1.53 H new ATOM 0 HE ARG A 77 15.013 16.536 1.530 1.00 32.15 H new ATOM 0 HH11 ARG A 77 12.279 15.294 -0.327 1.00 1.35 H new ATOM 0 HH12 ARG A 77 11.326 14.913 1.111 1.00 1.35 H new ATOM 0 HH21 ARG A 77 13.784 16.041 3.373 1.00 30.40 H new ATOM 0 HH22 ARG A 77 12.175 15.334 3.198 1.00 30.40 H new ATOM 890 N ILE A 78 16.472 12.206 -3.710 1.00 0.30 N ATOM 891 CA ILE A 78 15.931 11.636 -4.937 1.00 65.35 C ATOM 892 C ILE A 78 16.128 10.124 -4.974 1.00 33.12 C ATOM 893 O ILE A 78 15.169 9.366 -5.127 1.00 70.21 O ATOM 894 CB ILE A 78 16.588 12.257 -6.184 1.00 41.32 C ATOM 895 CG1 ILE A 78 16.262 13.750 -6.268 1.00 64.02 C ATOM 896 CG2 ILE A 78 16.125 11.537 -7.442 1.00 31.04 C ATOM 897 CD1 ILE A 78 17.485 14.627 -6.426 1.00 13.24 C ATOM 0 H ILE A 78 17.471 12.409 -3.743 1.00 0.30 H new ATOM 0 HA ILE A 78 14.865 11.863 -4.946 1.00 65.35 H new ATOM 0 HB ILE A 78 17.669 12.143 -6.102 1.00 41.32 H new ATOM 0 HG12 ILE A 78 15.591 13.920 -7.110 1.00 64.02 H new ATOM 0 HG13 ILE A 78 15.725 14.048 -5.367 1.00 64.02 H new ATOM 0 HG21 ILE A 78 16.598 11.988 -8.314 1.00 31.04 H new ATOM 0 HG22 ILE A 78 16.402 10.485 -7.382 1.00 31.04 H new ATOM 0 HG23 ILE A 78 15.042 11.622 -7.532 1.00 31.04 H new ATOM 0 HD11 ILE A 78 17.179 15.672 -6.479 1.00 13.24 H new ATOM 0 HD12 ILE A 78 18.147 14.485 -5.572 1.00 13.24 H new ATOM 0 HD13 ILE A 78 18.011 14.356 -7.341 1.00 13.24 H new ATOM 909 N LEU A 79 17.375 9.691 -4.830 1.00 44.32 N ATOM 910 CA LEU A 79 17.698 8.269 -4.844 1.00 64.35 C ATOM 911 C LEU A 79 16.878 7.514 -3.804 1.00 32.51 C ATOM 912 O LEU A 79 16.502 6.360 -4.013 1.00 53.12 O ATOM 913 CB LEU A 79 19.191 8.062 -4.582 1.00 21.13 C ATOM 914 CG LEU A 79 20.130 8.406 -5.738 1.00 43.22 C ATOM 915 CD1 LEU A 79 21.430 8.997 -5.213 1.00 74.40 C ATOM 916 CD2 LEU A 79 20.407 7.173 -6.586 1.00 12.02 C ATOM 0 H LEU A 79 18.180 10.305 -4.702 1.00 44.32 H new ATOM 0 HA LEU A 79 17.451 7.875 -5.830 1.00 64.35 H new ATOM 0 HB2 LEU A 79 19.475 8.664 -3.719 1.00 21.13 H new ATOM 0 HB3 LEU A 79 19.350 7.019 -4.309 1.00 21.13 H new ATOM 0 HG LEU A 79 19.643 9.152 -6.366 1.00 43.22 H new ATOM 0 HD11 LEU A 79 22.086 9.236 -6.050 1.00 74.40 H new ATOM 0 HD12 LEU A 79 21.216 9.905 -4.650 1.00 74.40 H new ATOM 0 HD13 LEU A 79 21.922 8.274 -4.562 1.00 74.40 H new ATOM 0 HD21 LEU A 79 21.077 7.437 -7.404 1.00 12.02 H new ATOM 0 HD22 LEU A 79 20.873 6.404 -5.969 1.00 12.02 H new ATOM 0 HD23 LEU A 79 19.470 6.793 -6.993 1.00 12.02 H new ATOM 928 N ARG A 80 16.602 8.173 -2.683 1.00 61.42 N ATOM 929 CA ARG A 80 15.825 7.564 -1.610 1.00 71.24 C ATOM 930 C ARG A 80 14.412 7.234 -2.082 1.00 52.22 C ATOM 931 O ARG A 80 13.735 6.383 -1.504 1.00 1.04 O ATOM 932 CB ARG A 80 15.765 8.499 -0.401 1.00 62.01 C ATOM 933 CG ARG A 80 14.881 7.985 0.723 1.00 13.10 C ATOM 934 CD ARG A 80 14.863 8.946 1.901 1.00 14.33 C ATOM 935 NE ARG A 80 15.201 8.280 3.156 1.00 4.31 N ATOM 936 CZ ARG A 80 15.383 8.924 4.304 1.00 34.31 C ATOM 937 NH1 ARG A 80 15.258 10.243 4.355 1.00 34.34 N ATOM 938 NH2 ARG A 80 15.689 8.248 5.404 1.00 70.41 N ATOM 0 H ARG A 80 16.905 9.129 -2.494 1.00 61.42 H new ATOM 0 HA ARG A 80 16.318 6.637 -1.319 1.00 71.24 H new ATOM 0 HB2 ARG A 80 16.774 8.649 -0.018 1.00 62.01 H new ATOM 0 HB3 ARG A 80 15.398 9.473 -0.724 1.00 62.01 H new ATOM 0 HG2 ARG A 80 13.866 7.842 0.353 1.00 13.10 H new ATOM 0 HG3 ARG A 80 15.240 7.010 1.053 1.00 13.10 H new ATOM 0 HD2 ARG A 80 15.569 9.756 1.719 1.00 14.33 H new ATOM 0 HD3 ARG A 80 13.875 9.398 1.985 1.00 14.33 H new ATOM 0 HE ARG A 80 15.303 7.265 3.151 1.00 4.31 H new ATOM 0 HH11 ARG A 80 15.022 10.766 3.512 1.00 34.34 H new ATOM 0 HH12 ARG A 80 15.398 10.735 5.238 1.00 34.34 H new ATOM 0 HH21 ARG A 80 15.785 7.233 5.369 1.00 70.41 H new ATOM 0 HH22 ARG A 80 15.829 8.743 6.285 1.00 70.41 H new ATOM 952 N LEU A 81 13.972 7.914 -3.136 1.00 30.34 N ATOM 953 CA LEU A 81 12.639 7.694 -3.686 1.00 32.23 C ATOM 954 C LEU A 81 12.678 6.671 -4.817 1.00 2.13 C ATOM 955 O LEU A 81 11.723 5.922 -5.025 1.00 14.24 O ATOM 956 CB LEU A 81 12.052 9.012 -4.195 1.00 31.45 C ATOM 957 CG LEU A 81 10.592 8.966 -4.648 1.00 23.42 C ATOM 958 CD1 LEU A 81 9.671 9.425 -3.529 1.00 10.15 C ATOM 959 CD2 LEU A 81 10.393 9.821 -5.891 1.00 34.15 C ATOM 0 H LEU A 81 14.519 8.622 -3.626 1.00 30.34 H new ATOM 0 HA LEU A 81 12.005 7.304 -2.890 1.00 32.23 H new ATOM 0 HB2 LEU A 81 12.143 9.757 -3.404 1.00 31.45 H new ATOM 0 HB3 LEU A 81 12.660 9.359 -5.031 1.00 31.45 H new ATOM 0 HG LEU A 81 10.340 7.935 -4.897 1.00 23.42 H new ATOM 0 HD11 LEU A 81 8.636 9.385 -3.870 1.00 10.15 H new ATOM 0 HD12 LEU A 81 9.794 8.771 -2.666 1.00 10.15 H new ATOM 0 HD13 LEU A 81 9.922 10.448 -3.248 1.00 10.15 H new ATOM 0 HD21 LEU A 81 9.349 9.777 -6.200 1.00 34.15 H new ATOM 0 HD22 LEU A 81 10.662 10.854 -5.669 1.00 34.15 H new ATOM 0 HD23 LEU A 81 11.025 9.446 -6.696 1.00 34.15 H new ATOM 971 N LEU A 82 13.790 6.643 -5.544 1.00 13.44 N ATOM 972 CA LEU A 82 13.955 5.710 -6.653 1.00 4.52 C ATOM 973 C LEU A 82 13.858 4.267 -6.170 1.00 13.04 C ATOM 974 O LEU A 82 13.278 3.416 -6.843 1.00 33.32 O ATOM 975 CB LEU A 82 15.302 5.940 -7.341 1.00 61.11 C ATOM 976 CG LEU A 82 15.337 5.686 -8.849 1.00 2.04 C ATOM 977 CD1 LEU A 82 16.739 5.907 -9.395 1.00 23.15 C ATOM 978 CD2 LEU A 82 14.856 4.277 -9.164 1.00 0.24 C ATOM 0 H LEU A 82 14.590 7.255 -5.385 1.00 13.44 H new ATOM 0 HA LEU A 82 13.152 5.888 -7.369 1.00 4.52 H new ATOM 0 HB2 LEU A 82 15.609 6.970 -7.159 1.00 61.11 H new ATOM 0 HB3 LEU A 82 16.044 5.297 -6.867 1.00 61.11 H new ATOM 0 HG LEU A 82 14.665 6.395 -9.333 1.00 2.04 H new ATOM 0 HD11 LEU A 82 16.745 5.722 -10.469 1.00 23.15 H new ATOM 0 HD12 LEU A 82 17.047 6.935 -9.202 1.00 23.15 H new ATOM 0 HD13 LEU A 82 17.432 5.223 -8.905 1.00 23.15 H new ATOM 0 HD21 LEU A 82 14.888 4.114 -10.241 1.00 0.24 H new ATOM 0 HD22 LEU A 82 15.502 3.553 -8.668 1.00 0.24 H new ATOM 0 HD23 LEU A 82 13.833 4.154 -8.808 1.00 0.24 H new ATOM 990 N GLN A 83 14.427 4.001 -4.998 1.00 61.35 N ATOM 991 CA GLN A 83 14.402 2.660 -4.425 1.00 3.41 C ATOM 992 C GLN A 83 12.974 2.228 -4.112 1.00 55.32 C ATOM 993 O GLN A 83 12.549 1.134 -4.483 1.00 74.44 O ATOM 994 CB GLN A 83 15.252 2.611 -3.154 1.00 64.22 C ATOM 995 CG GLN A 83 16.730 2.370 -3.420 1.00 11.54 C ATOM 996 CD GLN A 83 17.408 1.608 -2.298 1.00 52.12 C ATOM 997 OE1 GLN A 83 17.558 2.118 -1.188 1.00 2.14 O ATOM 998 NE2 GLN A 83 17.821 0.379 -2.583 1.00 63.23 N ATOM 0 H GLN A 83 14.910 4.695 -4.428 1.00 61.35 H new ATOM 0 HA GLN A 83 14.818 1.970 -5.160 1.00 3.41 H new ATOM 0 HB2 GLN A 83 15.137 3.550 -2.613 1.00 64.22 H new ATOM 0 HB3 GLN A 83 14.875 1.821 -2.505 1.00 64.22 H new ATOM 0 HG2 GLN A 83 16.842 1.814 -4.351 1.00 11.54 H new ATOM 0 HG3 GLN A 83 17.231 3.328 -3.558 1.00 11.54 H new ATOM 0 HE21 GLN A 83 17.676 -0.004 -3.517 1.00 63.23 H new ATOM 0 HE22 GLN A 83 18.284 -0.182 -1.868 1.00 63.23 H new