USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 554 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 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.224 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 15 MET CE :methyl -159:sc= 0 (180deg=-0.618) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 19 ASN : amide:sc= -3.3! K(o=-3.3!,f=-1.6) USER MOD Single : A 23 LYS NZ :NH3+ -134:sc= -0.184 (180deg=-1.11) USER MOD Single : A 24 LYS NZ :NH3+ 121:sc= -0.0467 (180deg=-0.454) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.458 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 31 TYR OH : rot -21:sc= -0.0557 USER MOD Single : A 32 GLN : amide:sc= -6.36! C(o=-6.4!,f=-9!) USER MOD Single : A 35 MET CE :methyl -170:sc= -0.123 (180deg=-0.142) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.32) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -0.126 (180deg=-0.959) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 49 GLN : amide:sc=-0.00635 K(o=-0.0063,f=-1.6!) USER MOD Single : A 50 ASN : amide:sc= -0.0363 K(o=-0.036,f=-1.4!) USER MOD Single : A 51 SER OG : rot -31:sc= 0.879 USER MOD Single : A 54 HIS : no HE2:sc= 0.284 K(o=0.28,f=-1) USER MOD Single : A 55 ASN : amide:sc= -1.77 K(o=-1.8,f=-3.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.47! C(o=-3.5!,f=-3.8!) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.178 USER MOD ----------------------------------------------------------------- ATOM 77 N PRO A 5 -12.580 13.754 1.188 1.00 0.59 N ATOM 78 CA PRO A 5 -11.452 14.056 2.122 1.00 0.58 C ATOM 79 C PRO A 5 -10.221 14.643 1.408 1.00 0.56 C ATOM 80 O PRO A 5 -9.970 14.342 0.257 1.00 0.67 O ATOM 81 CB PRO A 5 -11.105 12.692 2.737 1.00 0.62 C ATOM 82 CG PRO A 5 -12.364 11.896 2.646 1.00 0.73 C ATOM 83 CD PRO A 5 -13.081 12.376 1.382 1.00 0.58 C ATOM 0 HA PRO A 5 -11.741 14.810 2.854 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -10.293 12.209 2.194 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -10.778 12.797 3.772 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -12.147 10.829 2.589 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -12.986 12.048 3.528 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -12.848 11.742 0.526 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -14.164 12.359 1.506 1.00 0.58 H new ATOM 91 N PRO A 6 -9.446 15.457 2.085 1.00 0.55 N ATOM 92 CA PRO A 6 -8.215 16.067 1.499 1.00 0.57 C ATOM 93 C PRO A 6 -7.078 15.045 1.379 1.00 0.51 C ATOM 94 O PRO A 6 -5.927 15.400 1.226 1.00 0.70 O ATOM 95 CB PRO A 6 -7.847 17.167 2.505 1.00 0.67 C ATOM 96 CG PRO A 6 -8.374 16.672 3.812 1.00 0.84 C ATOM 97 CD PRO A 6 -9.650 15.894 3.481 1.00 0.68 C ATOM 0 HA PRO A 6 -8.379 16.441 0.488 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -6.769 17.323 2.545 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -8.297 18.121 2.232 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -7.645 16.033 4.311 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -8.586 17.501 4.487 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.785 15.044 4.150 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.537 16.520 3.578 1.00 0.68 H new ATOM 105 N TYR A 7 -7.396 13.777 1.457 1.00 0.42 N ATOM 106 CA TYR A 7 -6.341 12.724 1.359 1.00 0.36 C ATOM 107 C TYR A 7 -6.350 12.123 -0.048 1.00 0.34 C ATOM 108 O TYR A 7 -7.390 11.826 -0.600 1.00 0.36 O ATOM 109 CB TYR A 7 -6.638 11.618 2.375 1.00 0.34 C ATOM 110 CG TYR A 7 -6.889 12.235 3.733 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.887 12.992 4.353 1.00 1.10 C ATOM 112 CD2 TYR A 7 -8.124 12.056 4.369 1.00 1.12 C ATOM 113 CE1 TYR A 7 -6.120 13.567 5.608 1.00 1.11 C ATOM 114 CE2 TYR A 7 -8.357 12.633 5.622 1.00 1.15 C ATOM 115 CZ TYR A 7 -7.354 13.388 6.244 1.00 0.47 C ATOM 116 OH TYR A 7 -7.583 13.958 7.480 1.00 0.54 O ATOM 0 H TYR A 7 -8.345 13.425 1.585 1.00 0.42 H new ATOM 0 HA TYR A 7 -5.366 13.166 1.564 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.508 11.043 2.059 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.799 10.924 2.428 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.935 13.132 3.863 1.00 1.10 H new ATOM 0 HD2 TYR A 7 -8.897 11.472 3.892 1.00 1.12 H new ATOM 0 HE1 TYR A 7 -5.346 14.150 6.086 1.00 1.11 H new ATOM 0 HE2 TYR A 7 -9.311 12.496 6.110 1.00 1.15 H new ATOM 0 HH TYR A 7 -8.490 13.737 7.779 1.00 0.54 H new ATOM 126 N SER A 8 -5.196 11.939 -0.627 1.00 0.35 N ATOM 127 CA SER A 8 -5.133 11.354 -1.995 1.00 0.38 C ATOM 128 C SER A 8 -5.283 9.835 -1.902 1.00 0.32 C ATOM 129 O SER A 8 -5.242 9.262 -0.832 1.00 0.30 O ATOM 130 CB SER A 8 -3.785 11.690 -2.635 1.00 0.46 C ATOM 131 OG SER A 8 -2.744 11.092 -1.875 1.00 1.39 O ATOM 0 H SER A 8 -4.293 12.169 -0.211 1.00 0.35 H new ATOM 0 HA SER A 8 -5.937 11.767 -2.604 1.00 0.38 H new ATOM 0 HB2 SER A 8 -3.756 11.327 -3.662 1.00 0.46 H new ATOM 0 HB3 SER A 8 -3.647 12.771 -2.675 1.00 0.46 H new ATOM 0 HG SER A 8 -1.878 11.303 -2.283 1.00 1.39 H new ATOM 137 N TYR A 9 -5.451 9.177 -3.016 1.00 0.34 N ATOM 138 CA TYR A 9 -5.596 7.696 -2.983 1.00 0.34 C ATOM 139 C TYR A 9 -4.337 7.089 -2.368 1.00 0.35 C ATOM 140 O TYR A 9 -4.400 6.155 -1.595 1.00 0.36 O ATOM 141 CB TYR A 9 -5.774 7.170 -4.407 1.00 0.39 C ATOM 142 CG TYR A 9 -7.043 7.742 -4.985 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.267 7.112 -4.740 1.00 1.32 C ATOM 144 CD2 TYR A 9 -6.996 8.908 -5.759 1.00 1.21 C ATOM 145 CE1 TYR A 9 -9.446 7.646 -5.269 1.00 1.32 C ATOM 146 CE2 TYR A 9 -8.175 9.443 -6.289 1.00 1.23 C ATOM 147 CZ TYR A 9 -9.401 8.811 -6.044 1.00 0.44 C ATOM 148 OH TYR A 9 -10.564 9.338 -6.567 1.00 0.50 O ATOM 0 H TYR A 9 -5.494 9.599 -3.943 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.467 7.422 -2.387 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -4.919 7.452 -5.022 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -5.819 6.081 -4.403 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.302 6.213 -4.142 1.00 1.32 H new ATOM 0 HD2 TYR A 9 -6.050 9.394 -5.947 1.00 1.21 H new ATOM 0 HE1 TYR A 9 -10.392 7.160 -5.080 1.00 1.32 H new ATOM 0 HE2 TYR A 9 -8.140 10.342 -6.886 1.00 1.23 H new ATOM 0 HH TYR A 9 -10.355 10.148 -7.078 1.00 0.50 H new ATOM 158 N ILE A 10 -3.193 7.616 -2.698 1.00 0.38 N ATOM 159 CA ILE A 10 -1.934 7.068 -2.123 1.00 0.42 C ATOM 160 C ILE A 10 -1.930 7.336 -0.617 1.00 0.38 C ATOM 161 O ILE A 10 -1.529 6.503 0.171 1.00 0.39 O ATOM 162 CB ILE A 10 -0.733 7.765 -2.772 1.00 0.50 C ATOM 163 CG1 ILE A 10 -0.765 7.569 -4.295 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.564 7.183 -2.206 1.00 0.51 C ATOM 165 CD1 ILE A 10 -0.873 6.084 -4.658 1.00 0.96 C ATOM 0 H ILE A 10 -3.075 8.400 -3.339 1.00 0.38 H new ATOM 0 HA ILE A 10 -1.870 5.996 -2.311 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.781 8.832 -2.552 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -1.611 8.112 -4.717 1.00 0.61 H new ATOM 0 HG13 ILE A 10 0.137 7.990 -4.738 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.418 7.679 -2.668 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.593 7.340 -1.128 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.607 6.115 -2.418 1.00 0.51 H new ATOM 0 HD11 ILE A 10 -0.894 5.975 -5.742 1.00 0.96 H new ATOM 0 HD12 ILE A 10 -0.014 5.548 -4.256 1.00 0.96 H new ATOM 0 HD13 ILE A 10 -1.789 5.672 -4.234 1.00 0.96 H new ATOM 177 N ALA A 11 -2.379 8.493 -0.210 1.00 0.36 N ATOM 178 CA ALA A 11 -2.410 8.812 1.245 1.00 0.36 C ATOM 179 C ALA A 11 -3.424 7.907 1.944 1.00 0.32 C ATOM 180 O ALA A 11 -3.142 7.326 2.973 1.00 0.32 O ATOM 181 CB ALA A 11 -2.818 10.276 1.438 1.00 0.38 C ATOM 0 H ALA A 11 -2.726 9.231 -0.823 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.421 8.649 1.673 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.841 10.510 2.502 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -2.097 10.923 0.940 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.807 10.438 1.010 1.00 0.38 H new ATOM 187 N LEU A 12 -4.600 7.771 1.395 1.00 0.32 N ATOM 188 CA LEU A 12 -5.613 6.892 2.041 1.00 0.31 C ATOM 189 C LEU A 12 -5.046 5.477 2.111 1.00 0.30 C ATOM 190 O LEU A 12 -5.188 4.786 3.101 1.00 0.32 O ATOM 191 CB LEU A 12 -6.900 6.893 1.210 1.00 0.33 C ATOM 192 CG LEU A 12 -7.568 8.273 1.287 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.729 8.327 0.289 1.00 0.37 C ATOM 194 CD2 LEU A 12 -8.088 8.543 2.711 1.00 0.36 C ATOM 0 H LEU A 12 -4.901 8.227 0.534 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.841 7.254 3.043 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.674 6.646 0.173 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.583 6.127 1.579 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.833 9.039 1.039 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -9.207 9.305 0.340 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.350 8.160 -0.719 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.457 7.554 0.536 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.558 9.526 2.746 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.819 7.781 2.982 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -7.256 8.514 3.414 1.00 0.36 H new ATOM 206 N ILE A 13 -4.388 5.048 1.071 1.00 0.31 N ATOM 207 CA ILE A 13 -3.790 3.687 1.079 1.00 0.32 C ATOM 208 C ILE A 13 -2.615 3.666 2.059 1.00 0.29 C ATOM 209 O ILE A 13 -2.435 2.729 2.806 1.00 0.30 O ATOM 210 CB ILE A 13 -3.298 3.347 -0.329 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.505 3.182 -1.257 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.500 2.042 -0.298 1.00 0.40 C ATOM 213 CD1 ILE A 13 -4.044 3.155 -2.718 1.00 0.49 C ATOM 0 H ILE A 13 -4.239 5.583 0.215 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.533 2.952 1.388 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.658 4.151 -0.693 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -5.035 2.260 -1.017 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -5.207 4.002 -1.104 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -2.152 1.804 -1.303 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.643 2.155 0.366 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -3.136 1.235 0.066 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.909 3.037 -3.370 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -3.534 4.089 -2.956 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -3.360 2.320 -2.868 1.00 0.49 H new ATOM 225 N THR A 14 -1.815 4.699 2.065 1.00 0.29 N ATOM 226 CA THR A 14 -0.658 4.730 3.002 1.00 0.31 C ATOM 227 C THR A 14 -1.174 4.713 4.442 1.00 0.32 C ATOM 228 O THR A 14 -0.629 4.048 5.299 1.00 0.34 O ATOM 229 CB THR A 14 0.166 5.995 2.764 1.00 0.35 C ATOM 230 OG1 THR A 14 0.644 6.004 1.426 1.00 0.37 O ATOM 231 CG2 THR A 14 1.351 6.024 3.732 1.00 0.39 C ATOM 0 H THR A 14 -1.913 5.518 1.465 1.00 0.29 H new ATOM 0 HA THR A 14 -0.027 3.858 2.831 1.00 0.31 H new ATOM 0 HB THR A 14 -0.459 6.872 2.932 1.00 0.35 H new ATOM 0 HG1 THR A 14 -0.027 6.415 0.842 1.00 0.37 H new ATOM 0 HG21 THR A 14 1.938 6.926 3.562 1.00 0.39 H new ATOM 0 HG22 THR A 14 0.983 6.019 4.758 1.00 0.39 H new ATOM 0 HG23 THR A 14 1.977 5.147 3.567 1.00 0.39 H new ATOM 239 N MET A 15 -2.234 5.427 4.710 1.00 0.33 N ATOM 240 CA MET A 15 -2.797 5.439 6.089 1.00 0.37 C ATOM 241 C MET A 15 -3.377 4.059 6.397 1.00 0.34 C ATOM 242 O MET A 15 -3.256 3.546 7.490 1.00 0.36 O ATOM 243 CB MET A 15 -3.915 6.478 6.188 1.00 0.44 C ATOM 244 CG MET A 15 -3.333 7.891 6.113 1.00 0.49 C ATOM 245 SD MET A 15 -4.686 9.089 6.218 1.00 0.67 S ATOM 246 CE MET A 15 -3.701 10.581 5.940 1.00 1.14 C ATOM 0 H MET A 15 -2.734 6.003 4.032 1.00 0.33 H new ATOM 0 HA MET A 15 -2.008 5.688 6.799 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.632 6.329 5.381 1.00 0.44 H new ATOM 0 HB3 MET A 15 -4.458 6.350 7.124 1.00 0.44 H new ATOM 0 HG2 MET A 15 -2.624 8.050 6.926 1.00 0.49 H new ATOM 0 HG3 MET A 15 -2.784 8.023 5.181 1.00 0.49 H new ATOM 0 HE1 MET A 15 -4.239 11.449 6.322 1.00 1.14 H new ATOM 0 HE2 MET A 15 -2.746 10.489 6.458 1.00 1.14 H new ATOM 0 HE3 MET A 15 -3.523 10.706 4.872 1.00 1.14 H new ATOM 256 N ALA A 16 -4.021 3.465 5.432 1.00 0.32 N ATOM 257 CA ALA A 16 -4.634 2.127 5.650 1.00 0.31 C ATOM 258 C ALA A 16 -3.557 1.114 6.047 1.00 0.29 C ATOM 259 O ALA A 16 -3.700 0.388 7.012 1.00 0.31 O ATOM 260 CB ALA A 16 -5.301 1.680 4.348 1.00 0.31 C ATOM 0 H ALA A 16 -4.149 3.852 4.497 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.371 2.186 6.451 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.756 0.700 4.490 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -6.070 2.400 4.067 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.553 1.622 3.557 1.00 0.31 H new ATOM 266 N ILE A 17 -2.481 1.053 5.312 1.00 0.27 N ATOM 267 CA ILE A 17 -1.405 0.078 5.650 1.00 0.28 C ATOM 268 C ILE A 17 -0.882 0.372 7.054 1.00 0.30 C ATOM 269 O ILE A 17 -0.762 -0.503 7.889 1.00 0.33 O ATOM 270 CB ILE A 17 -0.248 0.242 4.664 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.754 -0.015 3.246 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.856 -0.767 5.003 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.307 0.430 2.236 1.00 0.32 C ATOM 0 H ILE A 17 -2.300 1.634 4.494 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.806 -0.934 5.599 1.00 0.28 H new ATOM 0 HB ILE A 17 0.151 1.254 4.732 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -0.975 -1.074 3.114 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.683 0.528 3.076 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.682 -0.652 4.301 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.214 -0.588 6.017 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.458 -1.779 4.932 1.00 0.33 H new ATOM 0 HD11 ILE A 17 -0.054 0.246 1.224 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.506 1.494 2.363 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.225 -0.133 2.401 1.00 0.32 H new ATOM 285 N GLN A 18 -0.559 1.608 7.303 1.00 0.32 N ATOM 286 CA GLN A 18 -0.021 2.001 8.637 1.00 0.36 C ATOM 287 C GLN A 18 -1.089 1.807 9.718 1.00 0.36 C ATOM 288 O GLN A 18 -0.800 1.381 10.818 1.00 0.38 O ATOM 289 CB GLN A 18 0.413 3.468 8.590 1.00 0.44 C ATOM 290 CG GLN A 18 1.611 3.602 7.648 1.00 0.51 C ATOM 291 CD GLN A 18 2.066 5.061 7.582 1.00 1.09 C ATOM 292 OE1 GLN A 18 1.300 5.963 7.860 1.00 1.76 O ATOM 293 NE2 GLN A 18 3.291 5.333 7.222 1.00 1.82 N ATOM 0 H GLN A 18 -0.645 2.373 6.633 1.00 0.32 H new ATOM 0 HA GLN A 18 0.836 1.372 8.880 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -0.410 4.093 8.244 1.00 0.44 H new ATOM 0 HB3 GLN A 18 0.679 3.814 9.589 1.00 0.44 H new ATOM 0 HG2 GLN A 18 2.430 2.973 7.997 1.00 0.51 H new ATOM 0 HG3 GLN A 18 1.341 3.251 6.652 1.00 0.51 H new ATOM 0 HE21 GLN A 18 3.934 4.576 6.989 1.00 1.82 H new ATOM 0 HE22 GLN A 18 3.605 6.302 7.174 1.00 1.82 H new ATOM 302 N ASN A 19 -2.318 2.129 9.421 1.00 0.37 N ATOM 303 CA ASN A 19 -3.400 1.978 10.436 1.00 0.42 C ATOM 304 C ASN A 19 -3.858 0.519 10.504 1.00 0.43 C ATOM 305 O ASN A 19 -4.802 0.191 11.197 1.00 0.58 O ATOM 306 CB ASN A 19 -4.585 2.864 10.047 1.00 0.51 C ATOM 307 CG ASN A 19 -4.204 4.333 10.233 1.00 0.84 C ATOM 308 OD1 ASN A 19 -4.072 4.803 11.345 1.00 1.67 O ATOM 309 ND2 ASN A 19 -4.013 5.083 9.182 1.00 1.28 N ATOM 0 H ASN A 19 -2.621 2.491 8.517 1.00 0.37 H new ATOM 0 HA ASN A 19 -3.018 2.277 11.412 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -4.867 2.679 9.011 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -5.452 2.621 10.662 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -3.753 6.063 9.295 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -4.124 4.689 8.248 1.00 1.28 H new ATOM 316 N ALA A 20 -3.212 -0.361 9.789 1.00 0.39 N ATOM 317 CA ALA A 20 -3.633 -1.791 9.817 1.00 0.47 C ATOM 318 C ALA A 20 -3.120 -2.459 11.104 1.00 0.53 C ATOM 319 O ALA A 20 -2.073 -2.101 11.609 1.00 0.63 O ATOM 320 CB ALA A 20 -3.051 -2.510 8.592 1.00 0.49 C ATOM 0 H ALA A 20 -2.414 -0.153 9.189 1.00 0.39 H new ATOM 0 HA ALA A 20 -4.721 -1.853 9.795 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -3.355 -3.557 8.606 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -3.421 -2.037 7.682 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -1.963 -2.448 8.616 1.00 0.49 H new ATOM 326 N PRO A 21 -3.840 -3.424 11.633 1.00 0.71 N ATOM 327 CA PRO A 21 -3.439 -4.147 12.873 1.00 0.87 C ATOM 328 C PRO A 21 -1.918 -4.302 13.007 1.00 0.80 C ATOM 329 O PRO A 21 -1.267 -3.505 13.654 1.00 1.04 O ATOM 330 CB PRO A 21 -4.139 -5.498 12.708 1.00 1.10 C ATOM 331 CG PRO A 21 -5.415 -5.168 12.000 1.00 1.29 C ATOM 332 CD PRO A 21 -5.122 -3.943 11.117 1.00 0.94 C ATOM 0 HA PRO A 21 -3.721 -3.615 13.782 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -3.531 -6.193 12.129 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -4.329 -5.968 13.673 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -5.752 -6.010 11.395 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -6.209 -4.950 12.714 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -5.046 -4.219 10.065 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -5.914 -3.198 11.194 1.00 0.94 H new ATOM 340 N GLU A 22 -1.335 -5.305 12.401 1.00 0.72 N ATOM 341 CA GLU A 22 0.143 -5.479 12.502 1.00 0.83 C ATOM 342 C GLU A 22 0.802 -4.718 11.351 1.00 0.80 C ATOM 343 O GLU A 22 1.285 -3.617 11.526 1.00 1.16 O ATOM 344 CB GLU A 22 0.494 -6.968 12.423 1.00 0.98 C ATOM 345 CG GLU A 22 1.997 -7.165 12.656 1.00 1.51 C ATOM 346 CD GLU A 22 2.364 -6.734 14.078 1.00 2.01 C ATOM 347 OE1 GLU A 22 1.681 -7.151 14.999 1.00 2.63 O ATOM 348 OE2 GLU A 22 3.319 -5.989 14.223 1.00 2.51 O ATOM 0 H GLU A 22 -1.818 -6.008 11.842 1.00 0.72 H new ATOM 0 HA GLU A 22 0.504 -5.089 13.454 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -0.074 -7.524 13.169 1.00 0.98 H new ATOM 0 HB3 GLU A 22 0.214 -7.365 11.447 1.00 0.98 H new ATOM 0 HG2 GLU A 22 2.264 -8.211 12.503 1.00 1.51 H new ATOM 0 HG3 GLU A 22 2.566 -6.582 11.932 1.00 1.51 H new ATOM 355 N LYS A 23 0.824 -5.281 10.171 1.00 0.66 N ATOM 356 CA LYS A 23 1.449 -4.557 9.025 1.00 0.68 C ATOM 357 C LYS A 23 0.927 -5.119 7.699 1.00 0.56 C ATOM 358 O LYS A 23 0.790 -4.403 6.729 1.00 0.59 O ATOM 359 CB LYS A 23 2.972 -4.716 9.092 1.00 0.84 C ATOM 360 CG LYS A 23 3.659 -3.830 8.041 1.00 0.96 C ATOM 361 CD LYS A 23 3.621 -2.355 8.466 1.00 0.79 C ATOM 362 CE LYS A 23 4.592 -1.553 7.596 1.00 1.23 C ATOM 363 NZ LYS A 23 5.979 -2.050 7.812 1.00 2.02 N ATOM 0 H LYS A 23 0.441 -6.201 9.953 1.00 0.66 H new ATOM 0 HA LYS A 23 1.190 -3.500 9.085 1.00 0.68 H new ATOM 0 HB2 LYS A 23 3.327 -4.449 10.087 1.00 0.84 H new ATOM 0 HB3 LYS A 23 3.241 -5.759 8.927 1.00 0.84 H new ATOM 0 HG2 LYS A 23 4.693 -4.149 7.909 1.00 0.96 H new ATOM 0 HG3 LYS A 23 3.163 -3.949 7.078 1.00 0.96 H new ATOM 0 HD2 LYS A 23 2.610 -1.960 8.362 1.00 0.79 H new ATOM 0 HD3 LYS A 23 3.893 -2.260 9.517 1.00 0.79 H new ATOM 0 HE2 LYS A 23 4.320 -1.649 6.545 1.00 1.23 H new ATOM 0 HE3 LYS A 23 4.531 -0.494 7.846 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 6.621 -1.242 7.940 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 6.004 -2.651 8.661 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 6.282 -2.605 6.986 1.00 2.02 H new ATOM 377 N LYS A 24 0.648 -6.393 7.639 1.00 0.49 N ATOM 378 CA LYS A 24 0.151 -6.981 6.360 1.00 0.43 C ATOM 379 C LYS A 24 -1.348 -6.722 6.209 1.00 0.44 C ATOM 380 O LYS A 24 -2.128 -6.997 7.100 1.00 0.75 O ATOM 381 CB LYS A 24 0.395 -8.491 6.358 1.00 0.41 C ATOM 382 CG LYS A 24 1.899 -8.767 6.335 1.00 0.45 C ATOM 383 CD LYS A 24 2.137 -10.277 6.333 1.00 0.50 C ATOM 384 CE LYS A 24 3.630 -10.559 6.503 1.00 0.59 C ATOM 385 NZ LYS A 24 4.040 -10.208 7.891 1.00 1.55 N ATOM 0 H LYS A 24 0.742 -7.049 8.414 1.00 0.49 H new ATOM 0 HA LYS A 24 0.686 -6.517 5.531 1.00 0.43 H new ATOM 0 HB2 LYS A 24 -0.055 -8.943 7.242 1.00 0.41 H new ATOM 0 HB3 LYS A 24 -0.082 -8.946 5.490 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.350 -8.315 5.451 1.00 0.45 H new ATOM 0 HG3 LYS A 24 2.377 -8.313 7.203 1.00 0.45 H new ATOM 0 HD2 LYS A 24 1.574 -10.746 7.140 1.00 0.50 H new ATOM 0 HD3 LYS A 24 1.778 -10.711 5.400 1.00 0.50 H new ATOM 0 HE2 LYS A 24 3.839 -11.610 6.304 1.00 0.59 H new ATOM 0 HE3 LYS A 24 4.206 -9.978 5.783 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 4.433 -11.049 8.360 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 4.761 -9.459 7.861 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 3.212 -9.870 8.423 1.00 1.55 H new ATOM 399 N ILE A 25 -1.753 -6.212 5.075 1.00 0.35 N ATOM 400 CA ILE A 25 -3.202 -5.945 4.826 1.00 0.34 C ATOM 401 C ILE A 25 -3.582 -6.540 3.468 1.00 0.31 C ATOM 402 O ILE A 25 -2.839 -6.451 2.511 1.00 0.33 O ATOM 403 CB ILE A 25 -3.461 -4.435 4.828 1.00 0.38 C ATOM 404 CG1 ILE A 25 -4.973 -4.183 4.815 1.00 0.39 C ATOM 405 CG2 ILE A 25 -2.820 -3.790 3.594 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.265 -2.699 5.064 1.00 0.47 C ATOM 0 H ILE A 25 -1.135 -5.966 4.302 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.805 -6.401 5.611 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.022 -3.995 5.724 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.391 -4.487 3.856 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.457 -4.790 5.581 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.010 -2.717 3.605 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -1.745 -3.969 3.607 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.249 -4.225 2.692 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -6.342 -2.533 5.052 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -4.863 -2.407 6.034 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -4.797 -2.100 4.283 1.00 0.47 H new ATOM 418 N THR A 26 -4.728 -7.156 3.378 1.00 0.30 N ATOM 419 CA THR A 26 -5.144 -7.764 2.083 1.00 0.31 C ATOM 420 C THR A 26 -5.701 -6.684 1.154 1.00 0.28 C ATOM 421 O THR A 26 -6.057 -5.602 1.577 1.00 0.27 O ATOM 422 CB THR A 26 -6.222 -8.819 2.343 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.388 -8.183 2.848 1.00 0.76 O ATOM 424 CG2 THR A 26 -5.710 -9.835 3.364 1.00 0.81 C ATOM 0 H THR A 26 -5.393 -7.265 4.143 1.00 0.30 H new ATOM 0 HA THR A 26 -4.279 -8.229 1.610 1.00 0.31 H new ATOM 0 HB THR A 26 -6.460 -9.334 1.412 1.00 0.37 H new ATOM 0 HG1 THR A 26 -8.081 -8.855 3.014 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.479 -10.585 3.548 1.00 0.81 H new ATOM 0 HG22 THR A 26 -4.814 -10.321 2.976 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.471 -9.324 4.297 1.00 0.81 H new ATOM 432 N LEU A 27 -5.774 -6.978 -0.113 1.00 0.31 N ATOM 433 CA LEU A 27 -6.300 -5.987 -1.092 1.00 0.34 C ATOM 434 C LEU A 27 -7.741 -5.633 -0.706 1.00 0.30 C ATOM 435 O LEU A 27 -8.126 -4.478 -0.646 1.00 0.31 O ATOM 436 CB LEU A 27 -6.255 -6.630 -2.483 1.00 0.44 C ATOM 437 CG LEU A 27 -6.712 -5.648 -3.575 1.00 0.47 C ATOM 438 CD1 LEU A 27 -5.787 -4.417 -3.579 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.684 -6.360 -4.949 1.00 0.68 C ATOM 0 H LEU A 27 -5.489 -7.871 -0.516 1.00 0.31 H new ATOM 0 HA LEU A 27 -5.704 -5.074 -1.094 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.240 -6.966 -2.697 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -6.893 -7.514 -2.497 1.00 0.44 H new ATOM 0 HG LEU A 27 -7.730 -5.315 -3.374 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -6.111 -3.721 -4.353 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -5.831 -3.925 -2.607 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -4.763 -4.732 -3.780 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -7.008 -5.666 -5.725 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -5.670 -6.697 -5.163 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -7.355 -7.219 -4.928 1.00 0.68 H new ATOM 451 N ASN A 28 -8.538 -6.629 -0.428 1.00 0.30 N ATOM 452 CA ASN A 28 -9.952 -6.379 -0.030 1.00 0.31 C ATOM 453 C ASN A 28 -9.991 -5.580 1.276 1.00 0.29 C ATOM 454 O ASN A 28 -10.810 -4.701 1.453 1.00 0.32 O ATOM 455 CB ASN A 28 -10.657 -7.718 0.196 1.00 0.36 C ATOM 456 CG ASN A 28 -10.833 -8.443 -1.139 1.00 0.43 C ATOM 457 OD1 ASN A 28 -11.316 -7.872 -2.097 1.00 1.07 O ATOM 458 ND2 ASN A 28 -10.453 -9.687 -1.244 1.00 1.25 N ATOM 0 H ASN A 28 -8.268 -7.612 -0.460 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.451 -5.817 -0.820 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.075 -8.335 0.881 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.629 -7.554 0.662 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -10.561 -10.180 -2.130 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -10.048 -10.166 -0.440 1.00 1.25 H new ATOM 465 N GLY A 29 -9.120 -5.893 2.198 1.00 0.28 N ATOM 466 CA GLY A 29 -9.119 -5.174 3.505 1.00 0.29 C ATOM 467 C GLY A 29 -8.943 -3.671 3.290 1.00 0.28 C ATOM 468 O GLY A 29 -9.568 -2.866 3.953 1.00 0.29 O ATOM 0 H GLY A 29 -8.408 -6.617 2.102 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.054 -5.365 4.032 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.315 -5.554 4.135 1.00 0.29 H new ATOM 472 N ILE A 30 -8.100 -3.278 2.377 1.00 0.26 N ATOM 473 CA ILE A 30 -7.896 -1.821 2.140 1.00 0.27 C ATOM 474 C ILE A 30 -9.224 -1.183 1.726 1.00 0.27 C ATOM 475 O ILE A 30 -9.557 -0.095 2.151 1.00 0.29 O ATOM 476 CB ILE A 30 -6.855 -1.626 1.036 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.497 -2.135 1.529 1.00 0.32 C ATOM 478 CG2 ILE A 30 -6.749 -0.137 0.698 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.550 -2.314 0.342 1.00 0.35 C ATOM 0 H ILE A 30 -7.546 -3.898 1.787 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.540 -1.346 3.054 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.153 -2.181 0.146 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.071 -1.430 2.243 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.622 -3.083 2.053 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -6.008 0.006 -0.088 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -7.717 0.228 0.355 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.446 0.417 1.587 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.585 -2.676 0.698 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -4.974 -3.036 -0.356 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.415 -1.358 -0.163 1.00 0.35 H new ATOM 491 N TYR A 31 -9.989 -1.849 0.902 1.00 0.28 N ATOM 492 CA TYR A 31 -11.296 -1.263 0.477 1.00 0.30 C ATOM 493 C TYR A 31 -12.188 -1.030 1.702 1.00 0.30 C ATOM 494 O TYR A 31 -12.757 0.029 1.873 1.00 0.32 O ATOM 495 CB TYR A 31 -12.002 -2.229 -0.481 1.00 0.36 C ATOM 496 CG TYR A 31 -11.462 -2.067 -1.880 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.954 -1.043 -2.692 1.00 1.36 C ATOM 498 CD2 TYR A 31 -10.482 -2.941 -2.370 1.00 1.20 C ATOM 499 CE1 TYR A 31 -11.472 -0.891 -3.993 1.00 1.40 C ATOM 500 CE2 TYR A 31 -9.997 -2.785 -3.675 1.00 1.23 C ATOM 501 CZ TYR A 31 -10.497 -1.759 -4.486 1.00 0.58 C ATOM 502 OH TYR A 31 -10.035 -1.603 -5.776 1.00 0.72 O ATOM 0 H TYR A 31 -9.770 -2.764 0.508 1.00 0.28 H new ATOM 0 HA TYR A 31 -11.113 -0.312 -0.024 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -11.858 -3.256 -0.145 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -13.075 -2.039 -0.474 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -12.708 -0.369 -2.313 1.00 1.36 H new ATOM 0 HD2 TYR A 31 -10.101 -3.733 -1.743 1.00 1.20 H new ATOM 0 HE1 TYR A 31 -11.855 -0.099 -4.620 1.00 1.40 H new ATOM 0 HE2 TYR A 31 -9.239 -3.454 -4.055 1.00 1.23 H new ATOM 0 HH TYR A 31 -10.692 -1.098 -6.300 1.00 0.72 H new ATOM 512 N GLN A 32 -12.319 -2.013 2.548 1.00 0.31 N ATOM 513 CA GLN A 32 -13.177 -1.848 3.756 1.00 0.35 C ATOM 514 C GLN A 32 -12.644 -0.697 4.606 1.00 0.33 C ATOM 515 O GLN A 32 -13.396 0.055 5.195 1.00 0.34 O ATOM 516 CB GLN A 32 -13.169 -3.136 4.583 1.00 0.41 C ATOM 517 CG GLN A 32 -13.958 -4.240 3.866 1.00 1.25 C ATOM 518 CD GLN A 32 -13.098 -4.870 2.771 1.00 1.79 C ATOM 519 OE1 GLN A 32 -12.232 -5.675 3.052 1.00 2.35 O ATOM 520 NE2 GLN A 32 -13.305 -4.540 1.525 1.00 2.51 N ATOM 0 H GLN A 32 -11.869 -2.924 2.456 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.198 -1.630 3.441 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -12.142 -3.463 4.748 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -13.605 -2.948 5.564 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -14.266 -5.002 4.582 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -14.868 -3.825 3.432 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -14.032 -3.864 1.290 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -12.740 -4.958 0.786 1.00 2.51 H new ATOM 529 N PHE A 33 -11.352 -0.564 4.688 1.00 0.33 N ATOM 530 CA PHE A 33 -10.766 0.526 5.516 1.00 0.35 C ATOM 531 C PHE A 33 -11.242 1.884 4.991 1.00 0.32 C ATOM 532 O PHE A 33 -11.706 2.719 5.741 1.00 0.34 O ATOM 533 CB PHE A 33 -9.239 0.456 5.423 1.00 0.40 C ATOM 534 CG PHE A 33 -8.622 1.432 6.396 1.00 0.46 C ATOM 535 CD1 PHE A 33 -8.355 2.747 5.997 1.00 1.34 C ATOM 536 CD2 PHE A 33 -8.306 1.016 7.695 1.00 1.23 C ATOM 537 CE1 PHE A 33 -7.774 3.647 6.899 1.00 1.37 C ATOM 538 CE2 PHE A 33 -7.726 1.916 8.596 1.00 1.27 C ATOM 539 CZ PHE A 33 -7.460 3.231 8.199 1.00 0.63 C ATOM 0 H PHE A 33 -10.674 -1.163 4.217 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.082 0.408 6.552 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -8.898 -0.556 5.643 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -8.916 0.687 4.408 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -8.597 3.067 4.994 1.00 1.34 H new ATOM 0 HD2 PHE A 33 -8.510 0.001 8.002 1.00 1.23 H new ATOM 0 HE1 PHE A 33 -7.568 4.662 6.592 1.00 1.37 H new ATOM 0 HE2 PHE A 33 -7.484 1.595 9.598 1.00 1.27 H new ATOM 0 HZ PHE A 33 -7.013 3.925 8.895 1.00 0.63 H new ATOM 549 N ILE A 34 -11.126 2.119 3.713 1.00 0.28 N ATOM 550 CA ILE A 34 -11.566 3.430 3.155 1.00 0.27 C ATOM 551 C ILE A 34 -13.076 3.619 3.334 1.00 0.26 C ATOM 552 O ILE A 34 -13.527 4.646 3.802 1.00 0.27 O ATOM 553 CB ILE A 34 -11.216 3.489 1.667 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.693 3.492 1.517 1.00 0.32 C ATOM 555 CG2 ILE A 34 -11.796 4.768 1.049 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.324 3.299 0.047 1.00 0.59 C ATOM 0 H ILE A 34 -10.746 1.462 3.032 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.052 4.228 3.691 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.637 2.624 1.155 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.283 4.432 1.885 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.256 2.696 2.120 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.545 4.806 -0.011 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -12.880 4.769 1.165 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.376 5.638 1.553 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.239 3.301 -0.059 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -9.721 2.347 -0.306 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -9.748 4.111 -0.544 1.00 0.59 H new ATOM 568 N MET A 35 -13.867 2.652 2.952 1.00 0.27 N ATOM 569 CA MET A 35 -15.343 2.812 3.092 1.00 0.29 C ATOM 570 C MET A 35 -15.742 2.905 4.568 1.00 0.29 C ATOM 571 O MET A 35 -16.562 3.718 4.944 1.00 0.31 O ATOM 572 CB MET A 35 -16.057 1.619 2.454 1.00 0.37 C ATOM 573 CG MET A 35 -15.935 1.702 0.931 1.00 0.44 C ATOM 574 SD MET A 35 -16.870 0.346 0.177 1.00 0.69 S ATOM 575 CE MET A 35 -15.558 -0.901 0.189 1.00 0.47 C ATOM 0 H MET A 35 -13.558 1.766 2.552 1.00 0.27 H new ATOM 0 HA MET A 35 -15.636 3.733 2.588 1.00 0.29 H new ATOM 0 HB2 MET A 35 -15.621 0.687 2.814 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.107 1.613 2.745 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.314 2.661 0.577 1.00 0.44 H new ATOM 0 HG3 MET A 35 -14.887 1.644 0.635 1.00 0.44 H new ATOM 0 HE1 MET A 35 -15.872 -1.765 -0.397 1.00 0.47 H new ATOM 0 HE2 MET A 35 -14.651 -0.479 -0.244 1.00 0.47 H new ATOM 0 HE3 MET A 35 -15.360 -1.211 1.215 1.00 0.47 H new ATOM 585 N ASP A 36 -15.182 2.077 5.408 1.00 0.31 N ATOM 586 CA ASP A 36 -15.553 2.122 6.851 1.00 0.37 C ATOM 587 C ASP A 36 -15.117 3.449 7.479 1.00 0.38 C ATOM 588 O ASP A 36 -15.860 4.067 8.216 1.00 0.45 O ATOM 589 CB ASP A 36 -14.873 0.963 7.585 1.00 0.43 C ATOM 590 CG ASP A 36 -15.511 -0.359 7.157 1.00 0.51 C ATOM 591 OD1 ASP A 36 -16.638 -0.327 6.689 1.00 1.12 O ATOM 592 OD2 ASP A 36 -14.863 -1.382 7.303 1.00 1.17 O ATOM 0 H ASP A 36 -14.486 1.374 5.159 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.636 2.034 6.938 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -13.806 0.953 7.361 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -14.971 1.094 8.663 1.00 0.43 H new ATOM 597 N ARG A 37 -13.921 3.891 7.206 1.00 0.39 N ATOM 598 CA ARG A 37 -13.448 5.174 7.802 1.00 0.46 C ATOM 599 C ARG A 37 -14.197 6.360 7.188 1.00 0.45 C ATOM 600 O ARG A 37 -14.539 7.302 7.876 1.00 0.59 O ATOM 601 CB ARG A 37 -11.948 5.343 7.542 1.00 0.53 C ATOM 602 CG ARG A 37 -11.138 4.242 8.247 1.00 1.16 C ATOM 603 CD ARG A 37 -11.149 4.418 9.771 1.00 1.28 C ATOM 604 NE ARG A 37 -10.918 5.852 10.138 1.00 1.77 N ATOM 605 CZ ARG A 37 -9.863 6.506 9.730 1.00 2.16 C ATOM 606 NH1 ARG A 37 -8.884 5.884 9.133 1.00 2.31 N ATOM 607 NH2 ARG A 37 -9.767 7.786 9.966 1.00 3.00 N ATOM 0 H ARG A 37 -13.251 3.421 6.597 1.00 0.39 H new ATOM 0 HA ARG A 37 -13.639 5.147 8.875 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -11.755 5.311 6.470 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -11.622 6.321 7.895 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -11.550 3.266 7.990 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -10.110 4.259 7.886 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -12.105 4.083 10.174 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -10.377 3.793 10.220 1.00 1.28 H new ATOM 0 HE ARG A 37 -11.603 6.331 10.722 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -8.937 4.877 8.980 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -8.065 6.405 8.819 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -10.513 8.270 10.466 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -8.946 8.303 9.650 1.00 3.00 H new ATOM 621 N PHE A 38 -14.439 6.331 5.901 1.00 0.40 N ATOM 622 CA PHE A 38 -15.150 7.464 5.228 1.00 0.41 C ATOM 623 C PHE A 38 -16.389 6.937 4.497 1.00 0.39 C ATOM 624 O PHE A 38 -16.355 6.700 3.305 1.00 0.51 O ATOM 625 CB PHE A 38 -14.209 8.121 4.211 1.00 0.43 C ATOM 626 CG PHE A 38 -12.929 8.534 4.896 1.00 0.54 C ATOM 627 CD1 PHE A 38 -12.850 9.770 5.549 1.00 1.47 C ATOM 628 CD2 PHE A 38 -11.818 7.682 4.875 1.00 1.21 C ATOM 629 CE1 PHE A 38 -11.661 10.154 6.180 1.00 1.54 C ATOM 630 CE2 PHE A 38 -10.629 8.066 5.507 1.00 1.27 C ATOM 631 CZ PHE A 38 -10.550 9.302 6.159 1.00 0.82 C ATOM 0 H PHE A 38 -14.173 5.565 5.282 1.00 0.40 H new ATOM 0 HA PHE A 38 -15.454 8.194 5.978 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -13.991 7.426 3.400 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.691 8.991 3.764 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -13.707 10.427 5.566 1.00 1.47 H new ATOM 0 HD2 PHE A 38 -11.878 6.729 4.371 1.00 1.21 H new ATOM 0 HE1 PHE A 38 -11.601 11.108 6.683 1.00 1.54 H new ATOM 0 HE2 PHE A 38 -9.773 7.408 5.491 1.00 1.27 H new ATOM 0 HZ PHE A 38 -9.633 9.598 6.646 1.00 0.82 H new ATOM 641 N PRO A 39 -17.477 6.756 5.202 1.00 0.53 N ATOM 642 CA PRO A 39 -18.748 6.250 4.603 1.00 0.55 C ATOM 643 C PRO A 39 -19.115 7.009 3.322 1.00 0.47 C ATOM 644 O PRO A 39 -20.043 6.660 2.621 1.00 0.47 O ATOM 645 CB PRO A 39 -19.785 6.484 5.708 1.00 0.70 C ATOM 646 CG PRO A 39 -19.000 6.436 6.980 1.00 1.21 C ATOM 647 CD PRO A 39 -17.622 7.013 6.646 1.00 0.88 C ATOM 0 HA PRO A 39 -18.680 5.205 4.300 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -20.284 7.446 5.586 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -20.561 5.718 5.692 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -19.488 7.018 7.762 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -18.916 5.414 7.349 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -17.569 8.078 6.871 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -16.834 6.526 7.221 1.00 0.88 H new ATOM 655 N PHE A 40 -18.382 8.042 3.017 1.00 0.44 N ATOM 656 CA PHE A 40 -18.655 8.838 1.788 1.00 0.42 C ATOM 657 C PHE A 40 -18.534 7.943 0.549 1.00 0.34 C ATOM 658 O PHE A 40 -19.327 8.021 -0.369 1.00 0.36 O ATOM 659 CB PHE A 40 -17.630 9.977 1.718 1.00 0.48 C ATOM 660 CG PHE A 40 -17.640 10.618 0.349 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.695 11.459 -0.024 1.00 2.34 C ATOM 662 CD2 PHE A 40 -16.589 10.372 -0.545 1.00 2.20 C ATOM 663 CE1 PHE A 40 -18.701 12.052 -1.292 1.00 3.41 C ATOM 664 CE2 PHE A 40 -16.597 10.965 -1.813 1.00 3.29 C ATOM 665 CZ PHE A 40 -17.653 11.805 -2.187 1.00 3.74 C ATOM 0 H PHE A 40 -17.595 8.373 3.574 1.00 0.44 H new ATOM 0 HA PHE A 40 -19.665 9.246 1.819 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -17.857 10.725 2.477 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -16.634 9.592 1.938 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.504 11.650 0.666 1.00 2.34 H new ATOM 0 HD2 PHE A 40 -15.774 9.725 -0.256 1.00 2.20 H new ATOM 0 HE1 PHE A 40 -19.515 12.701 -1.580 1.00 3.41 H new ATOM 0 HE2 PHE A 40 -15.788 10.775 -2.503 1.00 3.29 H new ATOM 0 HZ PHE A 40 -17.659 12.262 -3.165 1.00 3.74 H new ATOM 675 N TYR A 41 -17.532 7.110 0.511 1.00 0.27 N ATOM 676 CA TYR A 41 -17.328 6.223 -0.670 1.00 0.25 C ATOM 677 C TYR A 41 -18.412 5.145 -0.738 1.00 0.29 C ATOM 678 O TYR A 41 -18.670 4.585 -1.785 1.00 0.35 O ATOM 679 CB TYR A 41 -15.953 5.572 -0.560 1.00 0.23 C ATOM 680 CG TYR A 41 -14.908 6.647 -0.707 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.540 7.409 0.403 1.00 1.10 C ATOM 682 CD2 TYR A 41 -14.317 6.889 -1.952 1.00 1.04 C ATOM 683 CE1 TYR A 41 -13.579 8.416 0.275 1.00 1.12 C ATOM 684 CE2 TYR A 41 -13.353 7.895 -2.084 1.00 1.05 C ATOM 685 CZ TYR A 41 -12.983 8.660 -0.970 1.00 0.34 C ATOM 686 OH TYR A 41 -12.030 9.650 -1.100 1.00 0.40 O ATOM 0 H TYR A 41 -16.840 7.004 1.253 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.391 6.819 -1.581 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -15.847 5.068 0.401 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -15.829 4.814 -1.333 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -14.999 7.220 1.362 1.00 1.10 H new ATOM 0 HD2 TYR A 41 -14.604 6.300 -2.810 1.00 1.04 H new ATOM 0 HE1 TYR A 41 -13.296 9.005 1.135 1.00 1.12 H new ATOM 0 HE2 TYR A 41 -12.895 8.082 -3.044 1.00 1.05 H new ATOM 0 HH TYR A 41 -11.719 9.685 -2.029 1.00 0.40 H new ATOM 696 N ARG A 42 -19.046 4.839 0.359 1.00 0.33 N ATOM 697 CA ARG A 42 -20.102 3.789 0.327 1.00 0.42 C ATOM 698 C ARG A 42 -21.211 4.202 -0.643 1.00 0.44 C ATOM 699 O ARG A 42 -21.742 3.386 -1.370 1.00 0.53 O ATOM 700 CB ARG A 42 -20.692 3.595 1.726 1.00 0.50 C ATOM 701 CG ARG A 42 -19.652 2.930 2.629 1.00 0.58 C ATOM 702 CD ARG A 42 -20.264 2.673 4.008 1.00 0.63 C ATOM 703 NE ARG A 42 -21.304 1.612 3.891 1.00 1.26 N ATOM 704 CZ ARG A 42 -21.740 0.998 4.956 1.00 1.66 C ATOM 705 NH1 ARG A 42 -21.263 1.304 6.131 1.00 1.95 N ATOM 706 NH2 ARG A 42 -22.653 0.072 4.844 1.00 2.51 N ATOM 0 H ARG A 42 -18.881 5.267 1.270 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.658 2.851 -0.007 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -20.990 4.557 2.143 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.590 2.979 1.672 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.318 1.991 2.187 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -18.774 3.569 2.722 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -19.490 2.365 4.711 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -20.705 3.590 4.400 1.00 0.63 H new ATOM 0 HE ARG A 42 -21.676 1.365 2.974 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -20.547 2.025 6.219 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -21.606 0.822 6.962 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -23.024 -0.170 3.925 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -22.996 -0.410 5.675 1.00 2.51 H new ATOM 720 N GLU A 43 -21.573 5.456 -0.661 1.00 0.42 N ATOM 721 CA GLU A 43 -22.653 5.904 -1.589 1.00 0.48 C ATOM 722 C GLU A 43 -22.056 6.223 -2.960 1.00 0.45 C ATOM 723 O GLU A 43 -22.748 6.650 -3.863 1.00 0.66 O ATOM 724 CB GLU A 43 -23.333 7.152 -1.020 1.00 0.62 C ATOM 725 CG GLU A 43 -24.027 6.800 0.298 1.00 1.27 C ATOM 726 CD GLU A 43 -24.708 8.048 0.865 1.00 1.75 C ATOM 727 OE1 GLU A 43 -24.695 9.065 0.191 1.00 2.34 O ATOM 728 OE2 GLU A 43 -25.233 7.965 1.964 1.00 2.28 O ATOM 0 H GLU A 43 -21.170 6.188 -0.076 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.390 5.108 -1.695 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -22.596 7.938 -0.856 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -24.060 7.540 -1.734 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -24.763 6.013 0.135 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -23.300 6.413 1.012 1.00 1.27 H new ATOM 735 N ASN A 44 -20.778 6.010 -3.119 1.00 0.44 N ATOM 736 CA ASN A 44 -20.111 6.286 -4.432 1.00 0.43 C ATOM 737 C ASN A 44 -19.206 5.111 -4.812 1.00 0.37 C ATOM 738 O ASN A 44 -18.228 4.828 -4.148 1.00 0.47 O ATOM 739 CB ASN A 44 -19.259 7.553 -4.320 1.00 0.54 C ATOM 740 CG ASN A 44 -20.148 8.740 -3.946 1.00 1.30 C ATOM 741 OD1 ASN A 44 -21.182 8.953 -4.546 1.00 2.01 O ATOM 742 ND2 ASN A 44 -19.778 9.534 -2.979 1.00 1.97 N ATOM 0 H ASN A 44 -20.159 5.653 -2.391 1.00 0.44 H new ATOM 0 HA ASN A 44 -20.876 6.421 -5.196 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -18.483 7.416 -3.567 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.754 7.748 -5.266 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -20.358 10.334 -2.726 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -18.909 9.354 -2.476 1.00 1.97 H new ATOM 749 N LYS A 45 -19.521 4.436 -5.886 1.00 0.49 N ATOM 750 CA LYS A 45 -18.692 3.283 -6.350 1.00 0.61 C ATOM 751 C LYS A 45 -17.984 3.685 -7.644 1.00 0.71 C ATOM 752 O LYS A 45 -17.468 2.862 -8.373 1.00 0.97 O ATOM 753 CB LYS A 45 -19.613 2.097 -6.621 1.00 0.76 C ATOM 754 CG LYS A 45 -20.227 1.623 -5.301 1.00 0.74 C ATOM 755 CD LYS A 45 -21.154 0.434 -5.561 1.00 0.93 C ATOM 756 CE LYS A 45 -21.763 -0.034 -4.237 1.00 1.11 C ATOM 757 NZ LYS A 45 -22.377 1.126 -3.531 1.00 1.68 N ATOM 0 H LYS A 45 -20.331 4.638 -6.471 1.00 0.49 H new ATOM 0 HA LYS A 45 -17.955 3.010 -5.594 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.399 2.384 -7.319 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -19.053 1.286 -7.087 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -19.439 1.337 -4.604 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -20.784 2.436 -4.835 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -21.943 0.719 -6.256 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -20.598 -0.380 -6.026 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -22.516 -0.800 -4.422 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -20.994 -0.488 -3.612 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -23.053 0.781 -2.819 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -21.633 1.680 -3.062 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -22.875 1.727 -4.219 1.00 1.68 H new ATOM 771 N GLN A 46 -17.990 4.956 -7.935 1.00 0.95 N ATOM 772 CA GLN A 46 -17.356 5.474 -9.183 1.00 1.12 C ATOM 773 C GLN A 46 -15.954 4.891 -9.381 1.00 0.71 C ATOM 774 O GLN A 46 -15.483 4.074 -8.616 1.00 1.16 O ATOM 775 CB GLN A 46 -17.258 6.999 -9.107 1.00 1.90 C ATOM 776 CG GLN A 46 -18.657 7.610 -9.207 1.00 2.64 C ATOM 777 CD GLN A 46 -18.573 9.114 -8.936 1.00 3.38 C ATOM 778 OE1 GLN A 46 -17.504 9.641 -8.703 1.00 3.81 O ATOM 779 NE2 GLN A 46 -19.664 9.829 -8.945 1.00 3.98 N ATOM 0 H GLN A 46 -18.416 5.673 -7.349 1.00 0.95 H new ATOM 0 HA GLN A 46 -17.976 5.174 -10.028 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -16.786 7.297 -8.170 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -16.628 7.373 -9.914 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -19.075 7.430 -10.198 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -19.325 7.136 -8.488 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -20.562 9.387 -9.141 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -19.619 10.830 -8.756 1.00 3.98 H new ATOM 788 N GLY A 47 -15.297 5.316 -10.427 1.00 0.78 N ATOM 789 CA GLY A 47 -13.929 4.811 -10.737 1.00 0.73 C ATOM 790 C GLY A 47 -13.046 4.823 -9.488 1.00 0.54 C ATOM 791 O GLY A 47 -11.951 4.298 -9.498 1.00 0.64 O ATOM 0 H GLY A 47 -15.657 6.003 -11.090 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -13.992 3.797 -11.133 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -13.476 5.428 -11.513 1.00 0.73 H new ATOM 795 N TRP A 48 -13.493 5.406 -8.409 1.00 0.44 N ATOM 796 CA TRP A 48 -12.638 5.416 -7.190 1.00 0.33 C ATOM 797 C TRP A 48 -12.368 3.964 -6.792 1.00 0.31 C ATOM 798 O TRP A 48 -11.283 3.599 -6.386 1.00 0.37 O ATOM 799 CB TRP A 48 -13.365 6.157 -6.046 1.00 0.36 C ATOM 800 CG TRP A 48 -14.185 5.204 -5.220 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.520 5.020 -5.333 1.00 0.37 C ATOM 802 CD2 TRP A 48 -13.736 4.297 -4.166 1.00 0.35 C ATOM 803 NE1 TRP A 48 -15.921 4.063 -4.416 1.00 0.37 N ATOM 804 CE2 TRP A 48 -14.857 3.587 -3.672 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.479 4.027 -3.594 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -14.734 2.641 -2.647 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.352 3.078 -2.567 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.474 2.386 -2.093 1.00 0.42 C ATOM 0 H TRP A 48 -14.398 5.868 -8.319 1.00 0.44 H new ATOM 0 HA TRP A 48 -11.698 5.932 -7.387 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.635 6.658 -5.411 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -14.010 6.931 -6.462 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -16.168 5.536 -6.026 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -16.884 3.747 -4.303 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.605 4.554 -3.948 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.604 2.112 -2.287 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.381 2.880 -2.139 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.367 1.658 -1.302 1.00 0.42 H new ATOM 819 N GLN A 49 -13.378 3.146 -6.893 1.00 0.41 N ATOM 820 CA GLN A 49 -13.240 1.718 -6.510 1.00 0.47 C ATOM 821 C GLN A 49 -12.164 1.016 -7.351 1.00 0.37 C ATOM 822 O GLN A 49 -11.298 0.342 -6.831 1.00 0.38 O ATOM 823 CB GLN A 49 -14.592 1.032 -6.731 1.00 0.65 C ATOM 824 CG GLN A 49 -14.494 -0.455 -6.376 1.00 1.21 C ATOM 825 CD GLN A 49 -15.879 -1.096 -6.482 1.00 1.35 C ATOM 826 OE1 GLN A 49 -16.880 -0.407 -6.502 1.00 1.96 O ATOM 827 NE2 GLN A 49 -15.978 -2.394 -6.569 1.00 1.59 N ATOM 0 H GLN A 49 -14.304 3.412 -7.229 1.00 0.41 H new ATOM 0 HA GLN A 49 -12.938 1.656 -5.465 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -15.356 1.510 -6.118 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -14.900 1.146 -7.770 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -13.797 -0.955 -7.049 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -14.103 -0.574 -5.366 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -15.138 -2.972 -6.552 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -16.896 -2.831 -6.654 1.00 1.59 H new ATOM 836 N ASN A 50 -12.222 1.145 -8.646 1.00 0.37 N ATOM 837 CA ASN A 50 -11.217 0.460 -9.510 1.00 0.39 C ATOM 838 C ASN A 50 -9.856 1.155 -9.415 1.00 0.34 C ATOM 839 O ASN A 50 -8.822 0.517 -9.403 1.00 0.39 O ATOM 840 CB ASN A 50 -11.704 0.499 -10.958 1.00 0.53 C ATOM 841 CG ASN A 50 -12.917 -0.420 -11.107 1.00 0.63 C ATOM 842 OD1 ASN A 50 -13.034 -1.410 -10.413 1.00 1.25 O ATOM 843 ND2 ASN A 50 -13.841 -0.121 -11.978 1.00 1.28 N ATOM 0 H ASN A 50 -12.921 1.695 -9.145 1.00 0.37 H new ATOM 0 HA ASN A 50 -11.103 -0.571 -9.174 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.969 1.519 -11.237 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -10.907 0.181 -11.631 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -14.662 -0.719 -12.076 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -13.743 0.710 -12.561 1.00 1.28 H new ATOM 850 N SER A 51 -9.846 2.458 -9.377 1.00 0.31 N ATOM 851 CA SER A 51 -8.553 3.197 -9.317 1.00 0.36 C ATOM 852 C SER A 51 -7.678 2.668 -8.179 1.00 0.37 C ATOM 853 O SER A 51 -6.466 2.715 -8.246 1.00 0.50 O ATOM 854 CB SER A 51 -8.831 4.683 -9.086 1.00 0.38 C ATOM 855 OG SER A 51 -9.453 4.852 -7.819 1.00 1.49 O ATOM 0 H SER A 51 -10.680 3.045 -9.385 1.00 0.31 H new ATOM 0 HA SER A 51 -8.026 3.053 -10.260 1.00 0.36 H new ATOM 0 HB2 SER A 51 -7.901 5.250 -9.126 1.00 0.38 H new ATOM 0 HB3 SER A 51 -9.475 5.071 -9.875 1.00 0.38 H new ATOM 0 HG SER A 51 -9.993 4.061 -7.611 1.00 1.49 H new ATOM 861 N ILE A 52 -8.272 2.181 -7.126 1.00 0.33 N ATOM 862 CA ILE A 52 -7.454 1.675 -5.986 1.00 0.43 C ATOM 863 C ILE A 52 -6.557 0.519 -6.441 1.00 0.42 C ATOM 864 O ILE A 52 -5.365 0.527 -6.218 1.00 0.47 O ATOM 865 CB ILE A 52 -8.397 1.189 -4.878 1.00 0.51 C ATOM 866 CG1 ILE A 52 -9.134 2.388 -4.255 1.00 0.62 C ATOM 867 CG2 ILE A 52 -7.607 0.430 -3.804 1.00 0.64 C ATOM 868 CD1 ILE A 52 -8.272 3.088 -3.194 1.00 0.64 C ATOM 0 H ILE A 52 -9.282 2.111 -7.004 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.819 2.479 -5.614 1.00 0.43 H new ATOM 0 HB ILE A 52 -9.132 0.510 -5.310 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.400 3.099 -5.037 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -10.066 2.049 -3.803 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -8.288 0.090 -3.023 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -7.114 -0.431 -4.255 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -6.857 1.091 -3.369 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -8.823 3.930 -2.775 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -8.028 2.382 -2.400 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.352 3.449 -3.653 1.00 0.64 H new ATOM 880 N ARG A 53 -7.117 -0.479 -7.067 1.00 0.45 N ATOM 881 CA ARG A 53 -6.285 -1.632 -7.517 1.00 0.53 C ATOM 882 C ARG A 53 -5.375 -1.207 -8.666 1.00 0.49 C ATOM 883 O ARG A 53 -4.220 -1.579 -8.722 1.00 0.47 O ATOM 884 CB ARG A 53 -7.218 -2.758 -7.974 1.00 0.76 C ATOM 885 CG ARG A 53 -7.843 -3.431 -6.747 1.00 0.56 C ATOM 886 CD ARG A 53 -9.159 -4.115 -7.120 1.00 0.37 C ATOM 887 NE ARG A 53 -8.917 -5.146 -8.167 1.00 1.42 N ATOM 888 CZ ARG A 53 -9.802 -6.084 -8.374 1.00 1.74 C ATOM 889 NH1 ARG A 53 -10.869 -6.149 -7.624 1.00 1.58 N ATOM 890 NH2 ARG A 53 -9.616 -6.962 -9.321 1.00 2.76 N ATOM 0 H ARG A 53 -8.111 -0.547 -7.286 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.659 -1.979 -6.695 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -7.999 -2.358 -8.620 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -6.663 -3.490 -8.560 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -7.150 -4.164 -6.335 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -8.021 -2.688 -5.969 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -9.601 -4.578 -6.238 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -9.873 -3.376 -7.484 1.00 0.37 H new ATOM 0 HE ARG A 53 -8.061 -5.120 -8.722 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -11.010 -5.468 -6.878 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -11.561 -6.881 -7.784 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -8.778 -6.917 -9.901 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -10.308 -7.694 -9.481 1.00 2.76 H new ATOM 904 N HIS A 54 -5.873 -0.421 -9.577 1.00 0.52 N ATOM 905 CA HIS A 54 -5.012 0.025 -10.704 1.00 0.59 C ATOM 906 C HIS A 54 -3.865 0.863 -10.141 1.00 0.53 C ATOM 907 O HIS A 54 -2.734 0.750 -10.570 1.00 0.59 O ATOM 908 CB HIS A 54 -5.840 0.847 -11.697 1.00 0.67 C ATOM 909 CG HIS A 54 -6.661 -0.084 -12.549 1.00 1.12 C ATOM 910 ND1 HIS A 54 -7.920 -0.522 -12.169 1.00 1.81 N ATOM 911 CD2 HIS A 54 -6.406 -0.681 -13.760 1.00 1.99 C ATOM 912 CE1 HIS A 54 -8.372 -1.344 -13.133 1.00 2.38 C ATOM 913 NE2 HIS A 54 -7.490 -1.476 -14.126 1.00 2.48 N ATOM 0 H HIS A 54 -6.831 -0.071 -9.590 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.606 -0.839 -11.230 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -6.491 1.538 -11.161 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -5.184 1.450 -12.325 1.00 0.67 H new ATOM 0 HD1 HIS A 54 -8.414 -0.267 -11.314 1.00 1.81 H new ATOM 0 HD2 HIS A 54 -5.504 -0.554 -14.339 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -9.332 -1.837 -13.107 1.00 2.38 H new ATOM 921 N ASN A 55 -4.141 1.692 -9.171 1.00 0.46 N ATOM 922 CA ASN A 55 -3.053 2.515 -8.577 1.00 0.50 C ATOM 923 C ASN A 55 -2.049 1.569 -7.915 1.00 0.45 C ATOM 924 O ASN A 55 -0.852 1.756 -7.996 1.00 0.51 O ATOM 925 CB ASN A 55 -3.630 3.455 -7.514 1.00 0.53 C ATOM 926 CG ASN A 55 -4.476 4.539 -8.183 1.00 1.27 C ATOM 927 OD1 ASN A 55 -4.335 4.799 -9.361 1.00 2.07 O ATOM 928 ND2 ASN A 55 -5.352 5.194 -7.469 1.00 1.97 N ATOM 0 H ASN A 55 -5.067 1.833 -8.767 1.00 0.46 H new ATOM 0 HA ASN A 55 -2.571 3.110 -9.353 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -4.239 2.890 -6.808 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -2.822 3.912 -6.943 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -5.918 5.924 -7.901 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -5.470 4.975 -6.480 1.00 1.97 H new ATOM 935 N LEU A 56 -2.538 0.544 -7.264 1.00 0.39 N ATOM 936 CA LEU A 56 -1.624 -0.427 -6.598 1.00 0.39 C ATOM 937 C LEU A 56 -0.850 -1.218 -7.653 1.00 0.44 C ATOM 938 O LEU A 56 0.329 -1.473 -7.505 1.00 0.78 O ATOM 939 CB LEU A 56 -2.446 -1.398 -5.745 1.00 0.44 C ATOM 940 CG LEU A 56 -3.016 -0.673 -4.518 1.00 0.50 C ATOM 941 CD1 LEU A 56 -4.029 -1.589 -3.824 1.00 0.65 C ATOM 942 CD2 LEU A 56 -1.887 -0.307 -3.535 1.00 0.53 C ATOM 0 H LEU A 56 -3.532 0.339 -7.166 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.923 0.118 -5.966 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -3.258 -1.817 -6.339 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.821 -2.232 -5.426 1.00 0.44 H new ATOM 0 HG LEU A 56 -3.505 0.247 -4.840 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -4.439 -1.082 -2.951 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -4.836 -1.830 -4.516 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -3.534 -2.508 -3.511 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -2.309 0.206 -2.671 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -1.382 -1.215 -3.206 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -1.170 0.347 -4.031 1.00 0.53 H new ATOM 954 N SER A 57 -1.497 -1.607 -8.716 1.00 0.55 N ATOM 955 CA SER A 57 -0.784 -2.379 -9.773 1.00 0.61 C ATOM 956 C SER A 57 0.206 -1.462 -10.494 1.00 0.64 C ATOM 957 O SER A 57 1.336 -1.828 -10.746 1.00 0.69 O ATOM 958 CB SER A 57 -1.796 -2.933 -10.776 1.00 0.71 C ATOM 959 OG SER A 57 -1.104 -3.641 -11.795 1.00 1.60 O ATOM 0 H SER A 57 -2.484 -1.425 -8.899 1.00 0.55 H new ATOM 0 HA SER A 57 -0.243 -3.207 -9.314 1.00 0.61 H new ATOM 0 HB2 SER A 57 -2.501 -3.594 -10.272 1.00 0.71 H new ATOM 0 HB3 SER A 57 -2.377 -2.120 -11.212 1.00 0.71 H new ATOM 0 HG SER A 57 -1.749 -4.000 -12.440 1.00 1.60 H new ATOM 965 N LEU A 58 -0.209 -0.269 -10.825 1.00 0.65 N ATOM 966 CA LEU A 58 0.712 0.670 -11.524 1.00 0.73 C ATOM 967 C LEU A 58 1.803 1.114 -10.552 1.00 0.69 C ATOM 968 O LEU A 58 2.957 1.240 -10.912 1.00 0.76 O ATOM 969 CB LEU A 58 -0.061 1.896 -12.013 1.00 0.81 C ATOM 970 CG LEU A 58 -1.063 1.488 -13.102 1.00 0.95 C ATOM 971 CD1 LEU A 58 -2.084 2.613 -13.297 1.00 1.38 C ATOM 972 CD2 LEU A 58 -0.343 1.235 -14.435 1.00 1.31 C ATOM 0 H LEU A 58 -1.144 0.095 -10.642 1.00 0.65 H new ATOM 0 HA LEU A 58 1.158 0.166 -12.381 1.00 0.73 H new ATOM 0 HB2 LEU A 58 -0.587 2.360 -11.179 1.00 0.81 H new ATOM 0 HB3 LEU A 58 0.632 2.640 -12.406 1.00 0.81 H new ATOM 0 HG LEU A 58 -1.562 0.571 -12.788 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -2.797 2.327 -14.070 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -2.614 2.789 -12.361 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -1.568 3.524 -13.599 1.00 1.38 H new ATOM 0 HD21 LEU A 58 -1.071 0.947 -15.193 1.00 1.31 H new ATOM 0 HD22 LEU A 58 0.169 2.144 -14.750 1.00 1.31 H new ATOM 0 HD23 LEU A 58 0.385 0.434 -14.309 1.00 1.31 H new ATOM 984 N ASN A 59 1.450 1.355 -9.319 1.00 0.62 N ATOM 985 CA ASN A 59 2.472 1.794 -8.332 1.00 0.61 C ATOM 986 C ASN A 59 3.323 0.595 -7.919 1.00 0.56 C ATOM 987 O ASN A 59 2.893 -0.257 -7.166 1.00 0.52 O ATOM 988 CB ASN A 59 1.782 2.373 -7.096 1.00 0.64 C ATOM 989 CG ASN A 59 0.951 3.594 -7.493 1.00 0.83 C ATOM 990 OD1 ASN A 59 -0.101 3.836 -6.933 1.00 1.42 O ATOM 991 ND2 ASN A 59 1.378 4.378 -8.444 1.00 1.29 N ATOM 0 H ASN A 59 0.501 1.267 -8.955 1.00 0.62 H new ATOM 0 HA ASN A 59 3.105 2.558 -8.784 1.00 0.61 H new ATOM 0 HB2 ASN A 59 1.142 1.619 -6.638 1.00 0.64 H new ATOM 0 HB3 ASN A 59 2.526 2.654 -6.351 1.00 0.64 H new ATOM 0 HD21 ASN A 59 0.830 5.193 -8.717 1.00 1.29 H new ATOM 0 HD22 ASN A 59 2.260 4.176 -8.914 1.00 1.29 H new ATOM 998 N GLU A 60 4.534 0.532 -8.399 1.00 0.62 N ATOM 999 CA GLU A 60 5.432 -0.600 -8.033 1.00 0.65 C ATOM 1000 C GLU A 60 6.197 -0.206 -6.771 1.00 0.58 C ATOM 1001 O GLU A 60 6.981 -0.964 -6.235 1.00 0.55 O ATOM 1002 CB GLU A 60 6.409 -0.849 -9.184 1.00 0.84 C ATOM 1003 CG GLU A 60 5.643 -1.420 -10.379 1.00 0.97 C ATOM 1004 CD GLU A 60 6.608 -1.656 -11.543 1.00 1.52 C ATOM 1005 OE1 GLU A 60 7.739 -1.211 -11.448 1.00 2.17 O ATOM 1006 OE2 GLU A 60 6.197 -2.278 -12.509 1.00 2.02 O ATOM 0 H GLU A 60 4.943 1.219 -9.032 1.00 0.62 H new ATOM 0 HA GLU A 60 4.860 -1.510 -7.850 1.00 0.65 H new ATOM 0 HB2 GLU A 60 6.904 0.081 -9.465 1.00 0.84 H new ATOM 0 HB3 GLU A 60 7.189 -1.543 -8.871 1.00 0.84 H new ATOM 0 HG2 GLU A 60 5.159 -2.356 -10.100 1.00 0.97 H new ATOM 0 HG3 GLU A 60 4.855 -0.731 -10.681 1.00 0.97 H new ATOM 1013 N CYS A 61 5.953 0.983 -6.293 1.00 0.62 N ATOM 1014 CA CYS A 61 6.634 1.463 -5.060 1.00 0.65 C ATOM 1015 C CYS A 61 6.285 0.528 -3.901 1.00 0.53 C ATOM 1016 O CYS A 61 7.084 0.292 -3.016 1.00 0.57 O ATOM 1017 CB CYS A 61 6.161 2.882 -4.740 1.00 0.78 C ATOM 1018 SG CYS A 61 6.717 4.005 -6.047 1.00 1.56 S ATOM 0 H CYS A 61 5.303 1.649 -6.710 1.00 0.62 H new ATOM 0 HA CYS A 61 7.714 1.470 -5.210 1.00 0.65 H new ATOM 0 HB2 CYS A 61 5.074 2.907 -4.661 1.00 0.78 H new ATOM 0 HB3 CYS A 61 6.558 3.202 -3.776 1.00 0.78 H new ATOM 0 HG CYS A 61 6.316 5.213 -5.781 1.00 1.56 H new ATOM 1024 N PHE A 62 5.091 0.001 -3.898 1.00 0.46 N ATOM 1025 CA PHE A 62 4.680 -0.913 -2.797 1.00 0.40 C ATOM 1026 C PHE A 62 5.288 -2.295 -3.043 1.00 0.44 C ATOM 1027 O PHE A 62 5.598 -2.650 -4.163 1.00 0.55 O ATOM 1028 CB PHE A 62 3.156 -1.032 -2.778 1.00 0.44 C ATOM 1029 CG PHE A 62 2.546 0.334 -2.584 1.00 0.40 C ATOM 1030 CD1 PHE A 62 2.448 0.883 -1.300 1.00 1.27 C ATOM 1031 CD2 PHE A 62 2.085 1.056 -3.692 1.00 1.29 C ATOM 1032 CE1 PHE A 62 1.886 2.152 -1.123 1.00 1.32 C ATOM 1033 CE2 PHE A 62 1.525 2.325 -3.515 1.00 1.32 C ATOM 1034 CZ PHE A 62 1.425 2.872 -2.231 1.00 0.59 C ATOM 0 H PHE A 62 4.382 0.165 -4.612 1.00 0.46 H new ATOM 0 HA PHE A 62 5.028 -0.518 -1.842 1.00 0.40 H new ATOM 0 HB2 PHE A 62 2.803 -1.470 -3.712 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.843 -1.699 -1.975 1.00 0.44 H new ATOM 0 HD1 PHE A 62 2.806 0.327 -0.446 1.00 1.27 H new ATOM 0 HD2 PHE A 62 2.162 0.633 -4.683 1.00 1.29 H new ATOM 0 HE1 PHE A 62 1.808 2.575 -0.133 1.00 1.32 H new ATOM 0 HE2 PHE A 62 1.170 2.883 -4.369 1.00 1.32 H new ATOM 0 HZ PHE A 62 0.991 3.852 -2.095 1.00 0.59 H new ATOM 1044 N VAL A 63 5.465 -3.072 -2.006 1.00 0.46 N ATOM 1045 CA VAL A 63 6.059 -4.437 -2.163 1.00 0.55 C ATOM 1046 C VAL A 63 4.991 -5.489 -1.857 1.00 0.45 C ATOM 1047 O VAL A 63 4.376 -5.480 -0.809 1.00 0.45 O ATOM 1048 CB VAL A 63 7.225 -4.592 -1.183 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.849 -5.982 -1.331 1.00 0.85 C ATOM 1050 CG2 VAL A 63 8.282 -3.526 -1.482 1.00 0.91 C ATOM 0 H VAL A 63 5.222 -2.819 -1.048 1.00 0.46 H new ATOM 0 HA VAL A 63 6.419 -4.570 -3.183 1.00 0.55 H new ATOM 0 HB VAL A 63 6.857 -4.471 -0.164 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.678 -6.085 -0.631 1.00 0.85 H new ATOM 0 HG12 VAL A 63 7.098 -6.743 -1.119 1.00 0.85 H new ATOM 0 HG13 VAL A 63 8.216 -6.109 -2.349 1.00 0.85 H new ATOM 0 HG21 VAL A 63 9.114 -3.633 -0.786 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.644 -3.649 -2.503 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.841 -2.535 -1.371 1.00 0.91 H new ATOM 1060 N LYS A 64 4.769 -6.398 -2.766 1.00 0.53 N ATOM 1061 CA LYS A 64 3.745 -7.455 -2.534 1.00 0.56 C ATOM 1062 C LYS A 64 4.313 -8.503 -1.572 1.00 0.54 C ATOM 1063 O LYS A 64 5.511 -8.679 -1.474 1.00 0.77 O ATOM 1064 CB LYS A 64 3.398 -8.128 -3.865 1.00 0.84 C ATOM 1065 CG LYS A 64 2.796 -7.107 -4.828 1.00 0.94 C ATOM 1066 CD LYS A 64 2.458 -7.805 -6.147 1.00 1.11 C ATOM 1067 CE LYS A 64 1.820 -6.808 -7.116 1.00 1.05 C ATOM 1068 NZ LYS A 64 1.875 -7.352 -8.502 1.00 1.81 N ATOM 0 H LYS A 64 5.254 -6.454 -3.662 1.00 0.53 H new ATOM 0 HA LYS A 64 2.848 -7.008 -2.106 1.00 0.56 H new ATOM 0 HB2 LYS A 64 4.294 -8.569 -4.303 1.00 0.84 H new ATOM 0 HB3 LYS A 64 2.692 -8.941 -3.697 1.00 0.84 H new ATOM 0 HG2 LYS A 64 1.899 -6.665 -4.395 1.00 0.94 H new ATOM 0 HG3 LYS A 64 3.500 -6.293 -5.002 1.00 0.94 H new ATOM 0 HD2 LYS A 64 3.362 -8.226 -6.588 1.00 1.11 H new ATOM 0 HD3 LYS A 64 1.776 -8.635 -5.965 1.00 1.11 H new ATOM 0 HE2 LYS A 64 0.785 -6.619 -6.830 1.00 1.05 H new ATOM 0 HE3 LYS A 64 2.344 -5.853 -7.068 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 1.441 -6.673 -9.159 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 2.866 -7.511 -8.773 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 1.356 -8.253 -8.542 1.00 1.81 H new ATOM 1082 N VAL A 65 3.460 -9.197 -0.863 1.00 0.50 N ATOM 1083 CA VAL A 65 3.929 -10.242 0.103 1.00 0.57 C ATOM 1084 C VAL A 65 3.280 -11.584 -0.259 1.00 0.63 C ATOM 1085 O VAL A 65 2.195 -11.881 0.196 1.00 0.84 O ATOM 1086 CB VAL A 65 3.489 -9.849 1.514 1.00 0.69 C ATOM 1087 CG1 VAL A 65 4.175 -10.755 2.537 1.00 1.28 C ATOM 1088 CG2 VAL A 65 3.875 -8.392 1.782 1.00 0.69 C ATOM 0 H VAL A 65 2.447 -9.085 -0.911 1.00 0.50 H new ATOM 0 HA VAL A 65 5.015 -10.326 0.059 1.00 0.57 H new ATOM 0 HB VAL A 65 2.408 -9.961 1.600 1.00 0.69 H new ATOM 0 HG11 VAL A 65 3.860 -10.473 3.542 1.00 1.28 H new ATOM 0 HG12 VAL A 65 3.899 -11.792 2.348 1.00 1.28 H new ATOM 0 HG13 VAL A 65 5.256 -10.646 2.452 1.00 1.28 H new ATOM 0 HG21 VAL A 65 3.561 -8.112 2.788 1.00 0.69 H new ATOM 0 HG22 VAL A 65 4.956 -8.280 1.694 1.00 0.69 H new ATOM 0 HG23 VAL A 65 3.383 -7.746 1.055 1.00 0.69 H new ATOM 1098 N PRO A 66 3.918 -12.390 -1.072 1.00 0.81 N ATOM 1099 CA PRO A 66 3.355 -13.707 -1.485 1.00 0.96 C ATOM 1100 C PRO A 66 2.770 -14.490 -0.307 1.00 0.95 C ATOM 1101 O PRO A 66 3.205 -14.352 0.820 1.00 1.13 O ATOM 1102 CB PRO A 66 4.555 -14.440 -2.088 1.00 1.25 C ATOM 1103 CG PRO A 66 5.425 -13.351 -2.628 1.00 1.65 C ATOM 1104 CD PRO A 66 5.240 -12.155 -1.686 1.00 1.18 C ATOM 0 HA PRO A 66 2.524 -13.593 -2.181 1.00 0.96 H new ATOM 0 HB2 PRO A 66 5.079 -15.030 -1.336 1.00 1.25 H new ATOM 0 HB3 PRO A 66 4.246 -15.128 -2.875 1.00 1.25 H new ATOM 0 HG2 PRO A 66 6.468 -13.665 -2.660 1.00 1.65 H new ATOM 0 HG3 PRO A 66 5.139 -13.092 -3.647 1.00 1.65 H new ATOM 0 HD2 PRO A 66 6.028 -12.113 -0.934 1.00 1.18 H new ATOM 0 HD3 PRO A 66 5.266 -11.210 -2.229 1.00 1.18 H new ATOM 1265 N TYR A 77 -0.321 -10.098 0.485 1.00 0.60 N ATOM 1266 CA TYR A 77 -0.708 -8.905 1.297 1.00 0.46 C ATOM 1267 C TYR A 77 0.128 -7.717 0.821 1.00 0.38 C ATOM 1268 O TYR A 77 1.125 -7.889 0.149 1.00 0.50 O ATOM 1269 CB TYR A 77 -0.406 -9.152 2.778 1.00 0.65 C ATOM 1270 CG TYR A 77 -1.028 -10.455 3.220 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -0.432 -11.668 2.858 1.00 1.39 C ATOM 1272 CD2 TYR A 77 -2.196 -10.451 3.990 1.00 1.23 C ATOM 1273 CE1 TYR A 77 -1.005 -12.878 3.265 1.00 1.38 C ATOM 1274 CE2 TYR A 77 -2.770 -11.661 4.398 1.00 1.32 C ATOM 1275 CZ TYR A 77 -2.174 -12.875 4.035 1.00 0.70 C ATOM 1276 OH TYR A 77 -2.739 -14.069 4.435 1.00 0.90 O ATOM 0 HA TYR A 77 -1.774 -8.711 1.178 1.00 0.46 H new ATOM 0 HB2 TYR A 77 0.672 -9.181 2.938 1.00 0.65 H new ATOM 0 HB3 TYR A 77 -0.796 -8.331 3.379 1.00 0.65 H new ATOM 0 HD1 TYR A 77 0.470 -11.670 2.264 1.00 1.39 H new ATOM 0 HD2 TYR A 77 -2.655 -9.514 4.270 1.00 1.23 H new ATOM 0 HE1 TYR A 77 -0.545 -13.814 2.985 1.00 1.38 H new ATOM 0 HE2 TYR A 77 -3.672 -11.658 4.992 1.00 1.32 H new ATOM 0 HH TYR A 77 -3.545 -13.889 4.963 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.267 -6.518 1.159 1.00 0.32 N ATOM 1287 CA TRP A 78 0.502 -5.311 0.726 1.00 0.31 C ATOM 1288 C TRP A 78 1.170 -4.665 1.942 1.00 0.32 C ATOM 1289 O TRP A 78 0.529 -4.375 2.933 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.469 -4.326 0.076 1.00 0.34 C ATOM 1291 CG TRP A 78 -0.946 -4.906 -1.217 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -1.938 -5.820 -1.344 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.463 -4.635 -2.564 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.092 -6.125 -2.685 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.206 -5.420 -3.476 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.538 -3.791 -3.078 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -0.962 -5.369 -4.851 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.783 -3.736 -4.457 1.00 0.45 C ATOM 1299 CH2 TRP A 78 0.036 -4.522 -5.342 1.00 0.46 C ATOM 0 H TRP A 78 -1.095 -6.320 1.721 1.00 0.32 H new ATOM 0 HA TRP A 78 1.276 -5.592 0.011 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.313 -4.135 0.739 1.00 0.34 H new ATOM 0 HB3 TRP A 78 0.023 -3.369 -0.098 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.513 -6.241 -0.533 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -2.777 -6.790 -3.045 1.00 0.46 H new ATOM 0 HE3 TRP A 78 1.122 -3.181 -2.405 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.540 -5.979 -5.529 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.553 -3.083 -4.839 1.00 0.45 H new ATOM 0 HH2 TRP A 78 0.230 -4.474 -6.403 1.00 0.46 H new ATOM 1310 N THR A 79 2.458 -4.440 1.875 1.00 0.33 N ATOM 1311 CA THR A 79 3.180 -3.816 3.026 1.00 0.37 C ATOM 1312 C THR A 79 4.240 -2.841 2.503 1.00 0.40 C ATOM 1313 O THR A 79 4.664 -2.916 1.367 1.00 0.45 O ATOM 1314 CB THR A 79 3.856 -4.911 3.856 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.417 -4.334 5.027 1.00 0.55 O ATOM 1316 CG2 THR A 79 4.961 -5.577 3.033 1.00 0.56 C ATOM 0 H THR A 79 3.043 -4.662 1.070 1.00 0.33 H new ATOM 0 HA THR A 79 2.469 -3.273 3.649 1.00 0.37 H new ATOM 0 HB THR A 79 3.117 -5.662 4.136 1.00 0.49 H new ATOM 0 HG1 THR A 79 4.849 -5.033 5.561 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.439 -6.355 3.628 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.529 -6.020 2.135 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.703 -4.831 2.749 1.00 0.56 H new ATOM 1324 N LEU A 80 4.663 -1.922 3.329 1.00 0.45 N ATOM 1325 CA LEU A 80 5.688 -0.927 2.898 1.00 0.53 C ATOM 1326 C LEU A 80 7.072 -1.580 2.872 1.00 0.74 C ATOM 1327 O LEU A 80 7.249 -2.706 3.292 1.00 1.42 O ATOM 1328 CB LEU A 80 5.709 0.246 3.883 1.00 0.54 C ATOM 1329 CG LEU A 80 4.335 0.928 3.926 1.00 0.63 C ATOM 1330 CD1 LEU A 80 4.317 1.950 5.066 1.00 0.86 C ATOM 1331 CD2 LEU A 80 4.050 1.640 2.596 1.00 0.81 C ATOM 0 H LEU A 80 4.340 -1.817 4.291 1.00 0.45 H new ATOM 0 HA LEU A 80 5.436 -0.569 1.900 1.00 0.53 H new ATOM 0 HB2 LEU A 80 5.977 -0.110 4.878 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.471 0.966 3.586 1.00 0.54 H new ATOM 0 HG LEU A 80 3.567 0.172 4.091 1.00 0.63 H new ATOM 0 HD11 LEU A 80 3.343 2.438 5.102 1.00 0.86 H new ATOM 0 HD12 LEU A 80 4.504 1.443 6.012 1.00 0.86 H new ATOM 0 HD13 LEU A 80 5.092 2.698 4.896 1.00 0.86 H new ATOM 0 HD21 LEU A 80 3.072 2.119 2.642 1.00 0.81 H new ATOM 0 HD22 LEU A 80 4.816 2.395 2.416 1.00 0.81 H new ATOM 0 HD23 LEU A 80 4.060 0.912 1.784 1.00 0.81 H new