USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 732 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 170:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-0.37) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 75:sc= 0.204 USER MOD Single : A 25 HIS : no HD1:sc=-0.00405 X(o=-0.004,f=-0.067) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.47) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 76:sc= 0.208 USER MOD Single : B 25 HIS : no HD1:sc= -0.0196 X(o=-0.02,f=-0.08) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.512 K(o=0.51,f=0) USER MOD Single : B 41 MET CE :methyl 162:sc= -0.0384 (180deg=-0.697) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 131.915 -18.287 -19.146 1.00 0.77 N ATOM 2 CA GLY A 1 130.778 -18.386 -18.187 1.00 0.81 C ATOM 3 C GLY A 1 130.542 -17.095 -17.425 1.00 0.65 C ATOM 4 O GLY A 1 130.074 -16.109 -17.998 1.00 0.70 O ATOM 0 H1 GLY A 1 132.033 -19.195 -19.640 1.00 0.77 H new ATOM 0 H2 GLY A 1 131.719 -17.538 -19.841 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.787 -18.059 -18.628 1.00 0.77 H new ATOM 0 HA2 GLY A 1 129.872 -18.654 -18.730 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.974 -19.191 -17.479 1.00 0.81 H new ATOM 10 N SER A 2 130.865 -17.103 -16.132 1.00 0.55 N ATOM 11 CA SER A 2 130.686 -15.923 -15.285 1.00 0.48 C ATOM 12 C SER A 2 131.993 -15.160 -15.109 1.00 0.47 C ATOM 13 O SER A 2 131.973 -13.938 -14.979 1.00 0.71 O ATOM 14 CB SER A 2 130.122 -16.322 -13.920 1.00 0.54 C ATOM 15 OG SER A 2 128.757 -16.689 -14.018 1.00 0.67 O ATOM 0 H SER A 2 131.252 -17.913 -15.648 1.00 0.55 H new ATOM 0 HA SER A 2 129.975 -15.264 -15.784 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.697 -17.155 -13.515 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.229 -15.491 -13.222 1.00 0.54 H new ATOM 0 HG SER A 2 128.422 -16.941 -13.132 1.00 0.67 H new ATOM 21 N LEU A 3 133.125 -15.877 -15.123 1.00 0.38 N ATOM 22 CA LEU A 3 134.439 -15.238 -14.989 1.00 0.43 C ATOM 23 C LEU A 3 134.749 -14.456 -16.265 1.00 0.53 C ATOM 24 O LEU A 3 135.598 -14.846 -17.070 1.00 0.88 O ATOM 25 CB LEU A 3 135.538 -16.276 -14.702 1.00 0.48 C ATOM 26 CG LEU A 3 135.398 -17.614 -15.438 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.732 -18.049 -16.028 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.856 -18.681 -14.498 1.00 1.42 C ATOM 0 H LEU A 3 133.157 -16.891 -15.225 1.00 0.38 H new ATOM 0 HA LEU A 3 134.414 -14.553 -14.142 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.502 -15.839 -14.962 1.00 0.48 H new ATOM 0 HB3 LEU A 3 135.556 -16.472 -13.630 1.00 0.48 H new ATOM 0 HG LEU A 3 134.692 -17.482 -16.258 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.608 -19.000 -16.545 1.00 1.05 H new ATOM 0 HD12 LEU A 3 137.081 -17.295 -16.734 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.464 -18.163 -15.228 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.762 -19.625 -15.035 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.539 -18.807 -13.658 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.878 -18.376 -14.127 1.00 1.42 H new ATOM 40 N THR A 4 134.007 -13.367 -16.448 1.00 0.41 N ATOM 41 CA THR A 4 134.124 -12.517 -17.624 1.00 0.49 C ATOM 42 C THR A 4 133.692 -11.082 -17.291 1.00 0.39 C ATOM 43 O THR A 4 133.713 -10.679 -16.129 1.00 0.39 O ATOM 44 CB THR A 4 133.276 -13.100 -18.773 1.00 0.65 C ATOM 45 OG1 THR A 4 132.310 -14.018 -18.284 1.00 0.64 O ATOM 46 CG2 THR A 4 134.101 -13.822 -19.815 1.00 0.80 C ATOM 0 H THR A 4 133.305 -13.050 -15.780 1.00 0.41 H new ATOM 0 HA THR A 4 135.166 -12.486 -17.944 1.00 0.49 H new ATOM 0 HB THR A 4 132.797 -12.237 -19.236 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.685 -14.249 -19.003 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.445 -14.208 -20.595 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.819 -13.130 -20.255 1.00 0.80 H new ATOM 0 HG23 THR A 4 134.635 -14.649 -19.347 1.00 0.80 H new ATOM 54 N TYR A 5 133.327 -10.319 -18.322 1.00 0.48 N ATOM 55 CA TYR A 5 132.902 -8.921 -18.162 1.00 0.46 C ATOM 56 C TYR A 5 132.013 -8.729 -16.923 1.00 0.42 C ATOM 57 O TYR A 5 132.317 -7.908 -16.058 1.00 0.47 O ATOM 58 CB TYR A 5 132.161 -8.445 -19.414 1.00 0.59 C ATOM 59 CG TYR A 5 131.757 -6.985 -19.367 1.00 0.52 C ATOM 60 CD1 TYR A 5 132.653 -6.004 -18.956 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.475 -6.591 -19.729 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.282 -4.673 -18.907 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.097 -5.263 -19.685 1.00 0.90 C ATOM 64 CZ TYR A 5 131.003 -4.308 -19.273 1.00 0.65 C ATOM 65 OH TYR A 5 130.629 -2.985 -19.226 1.00 0.79 O ATOM 0 H TYR A 5 133.316 -10.647 -19.288 1.00 0.48 H new ATOM 0 HA TYR A 5 133.802 -8.322 -18.022 1.00 0.46 H new ATOM 0 HB2 TYR A 5 132.796 -8.609 -20.285 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.268 -9.055 -19.551 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.655 -6.287 -18.670 1.00 0.71 H new ATOM 0 HD2 TYR A 5 129.762 -7.336 -20.050 1.00 0.81 H new ATOM 0 HE1 TYR A 5 132.989 -3.923 -18.584 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.097 -4.974 -19.972 1.00 0.90 H new ATOM 0 HH TYR A 5 129.697 -2.898 -19.516 1.00 0.79 H new ATOM 75 N GLU A 6 130.909 -9.479 -16.853 1.00 0.48 N ATOM 76 CA GLU A 6 129.970 -9.382 -15.726 1.00 0.50 C ATOM 77 C GLU A 6 130.661 -9.587 -14.370 1.00 0.38 C ATOM 78 O GLU A 6 130.182 -9.094 -13.347 1.00 0.47 O ATOM 79 CB GLU A 6 128.841 -10.405 -15.889 1.00 0.60 C ATOM 80 CG GLU A 6 127.471 -9.774 -16.075 1.00 0.65 C ATOM 81 CD GLU A 6 126.406 -10.790 -16.440 1.00 0.82 C ATOM 82 OE1 GLU A 6 125.784 -11.357 -15.517 1.00 0.99 O ATOM 83 OE2 GLU A 6 126.194 -11.019 -17.650 1.00 1.16 O ATOM 0 H GLU A 6 130.642 -10.161 -17.563 1.00 0.48 H new ATOM 0 HA GLU A 6 129.560 -8.372 -15.738 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.059 -11.040 -16.747 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.818 -11.051 -15.012 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.182 -9.264 -15.156 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.527 -9.016 -16.856 1.00 0.65 H new ATOM 90 N GLU A 7 131.780 -10.315 -14.366 1.00 0.30 N ATOM 91 CA GLU A 7 132.527 -10.581 -13.135 1.00 0.29 C ATOM 92 C GLU A 7 133.350 -9.367 -12.706 1.00 0.28 C ATOM 93 O GLU A 7 133.248 -8.916 -11.564 1.00 0.46 O ATOM 94 CB GLU A 7 133.455 -11.785 -13.321 1.00 0.40 C ATOM 95 CG GLU A 7 133.641 -12.617 -12.062 1.00 0.56 C ATOM 96 CD GLU A 7 134.769 -12.104 -11.186 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.936 -12.463 -11.449 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.486 -11.342 -10.239 1.00 0.81 O ATOM 0 H GLU A 7 132.189 -10.731 -15.203 1.00 0.30 H new ATOM 0 HA GLU A 7 131.799 -10.799 -12.353 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.055 -12.422 -14.110 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.429 -11.432 -13.659 1.00 0.40 H new ATOM 0 HG2 GLU A 7 132.713 -12.617 -11.490 1.00 0.56 H new ATOM 0 HG3 GLU A 7 133.844 -13.651 -12.341 1.00 0.56 H new ATOM 105 N VAL A 8 134.172 -8.852 -13.624 1.00 0.34 N ATOM 106 CA VAL A 8 135.023 -7.698 -13.336 1.00 0.36 C ATOM 107 C VAL A 8 134.203 -6.471 -12.922 1.00 0.28 C ATOM 108 O VAL A 8 134.689 -5.631 -12.162 1.00 0.39 O ATOM 109 CB VAL A 8 135.938 -7.346 -14.535 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.143 -6.736 -15.680 1.00 0.46 C ATOM 111 CG2 VAL A 8 137.061 -6.412 -14.100 1.00 0.77 C ATOM 0 H VAL A 8 134.265 -9.217 -14.572 1.00 0.34 H new ATOM 0 HA VAL A 8 135.654 -7.984 -12.495 1.00 0.36 H new ATOM 0 HB VAL A 8 136.382 -8.273 -14.897 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.815 -6.501 -16.505 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.388 -7.446 -16.018 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.655 -5.823 -15.338 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.692 -6.177 -14.957 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.635 -5.492 -13.701 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.661 -6.898 -13.330 1.00 0.77 H new ATOM 121 N LEU A 9 132.956 -6.372 -13.405 1.00 0.36 N ATOM 122 CA LEU A 9 132.091 -5.246 -13.053 1.00 0.49 C ATOM 123 C LEU A 9 131.862 -5.211 -11.542 1.00 0.53 C ATOM 124 O LEU A 9 132.214 -4.235 -10.879 1.00 0.73 O ATOM 125 CB LEU A 9 130.747 -5.347 -13.788 1.00 0.66 C ATOM 126 CG LEU A 9 130.475 -4.238 -14.808 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.306 -4.615 -15.706 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.202 -2.915 -14.102 1.00 0.72 C ATOM 0 H LEU A 9 132.531 -7.053 -14.034 1.00 0.36 H new ATOM 0 HA LEU A 9 132.584 -4.323 -13.359 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.703 -6.308 -14.300 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.946 -5.343 -13.049 1.00 0.66 H new ATOM 0 HG LEU A 9 131.362 -4.118 -15.430 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.127 -3.815 -16.425 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.539 -5.537 -16.239 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.413 -4.763 -15.098 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.011 -2.139 -14.844 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.331 -3.021 -13.455 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.068 -2.637 -13.502 1.00 0.72 H new ATOM 140 N GLN A 10 131.273 -6.287 -11.007 1.00 0.42 N ATOM 141 CA GLN A 10 131.001 -6.392 -9.571 1.00 0.49 C ATOM 142 C GLN A 10 132.264 -6.120 -8.752 1.00 0.43 C ATOM 143 O GLN A 10 132.197 -5.533 -7.672 1.00 0.50 O ATOM 144 CB GLN A 10 130.453 -7.783 -9.232 1.00 0.60 C ATOM 145 CG GLN A 10 128.934 -7.869 -9.270 1.00 0.69 C ATOM 146 CD GLN A 10 128.312 -7.815 -7.887 1.00 0.82 C ATOM 147 OE1 GLN A 10 128.280 -6.762 -7.250 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.813 -8.953 -7.413 1.00 0.84 N ATOM 0 H GLN A 10 130.976 -7.098 -11.549 1.00 0.42 H new ATOM 0 HA GLN A 10 130.254 -5.640 -9.316 1.00 0.49 H new ATOM 0 HB2 GLN A 10 130.867 -8.507 -9.934 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.799 -8.068 -8.239 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.542 -7.050 -9.873 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.638 -8.796 -9.761 1.00 0.69 H new ATOM 0 HE21 GLN A 10 127.860 -9.803 -7.974 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.383 -8.975 -6.488 1.00 0.84 H new ATOM 157 N GLU A 11 133.415 -6.559 -9.270 1.00 0.41 N ATOM 158 CA GLU A 11 134.696 -6.373 -8.590 1.00 0.44 C ATOM 159 C GLU A 11 135.025 -4.892 -8.363 1.00 0.40 C ATOM 160 O GLU A 11 135.795 -4.566 -7.462 1.00 0.56 O ATOM 161 CB GLU A 11 135.823 -7.026 -9.397 1.00 0.52 C ATOM 162 CG GLU A 11 135.983 -8.514 -9.133 1.00 0.63 C ATOM 163 CD GLU A 11 137.115 -9.129 -9.935 1.00 1.02 C ATOM 164 OE1 GLU A 11 136.872 -9.535 -11.091 1.00 1.64 O ATOM 165 OE2 GLU A 11 138.245 -9.203 -9.408 1.00 1.54 O ATOM 0 H GLU A 11 133.483 -7.048 -10.163 1.00 0.41 H new ATOM 0 HA GLU A 11 134.610 -6.850 -7.614 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.632 -6.873 -10.459 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.762 -6.522 -9.166 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.167 -8.673 -8.070 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.051 -9.025 -9.375 1.00 0.63 H new ATOM 172 N LEU A 12 134.452 -3.996 -9.171 1.00 0.34 N ATOM 173 CA LEU A 12 134.711 -2.562 -9.030 1.00 0.34 C ATOM 174 C LEU A 12 133.839 -1.936 -7.939 1.00 0.31 C ATOM 175 O LEU A 12 134.313 -1.103 -7.164 1.00 0.39 O ATOM 176 CB LEU A 12 134.474 -1.847 -10.368 1.00 0.36 C ATOM 177 CG LEU A 12 135.340 -0.607 -10.620 1.00 0.44 C ATOM 178 CD1 LEU A 12 134.801 0.592 -9.853 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.793 -0.876 -10.247 1.00 0.59 C ATOM 0 H LEU A 12 133.809 -4.237 -9.925 1.00 0.34 H new ATOM 0 HA LEU A 12 135.753 -2.441 -8.735 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.647 -2.559 -11.175 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.426 -1.553 -10.421 1.00 0.36 H new ATOM 0 HG LEU A 12 135.300 -0.377 -11.685 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.431 1.461 -10.046 1.00 0.65 H new ATOM 0 HD12 LEU A 12 133.782 0.803 -10.177 1.00 0.65 H new ATOM 0 HD13 LEU A 12 134.804 0.372 -8.785 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.388 0.018 -10.434 1.00 0.59 H new ATOM 0 HD22 LEU A 12 136.855 -1.138 -9.191 1.00 0.59 H new ATOM 0 HD23 LEU A 12 137.177 -1.700 -10.849 1.00 0.59 H new ATOM 191 N VAL A 13 132.572 -2.353 -7.869 1.00 0.26 N ATOM 192 CA VAL A 13 131.658 -1.833 -6.851 1.00 0.26 C ATOM 193 C VAL A 13 132.027 -2.392 -5.476 1.00 0.22 C ATOM 194 O VAL A 13 132.092 -1.652 -4.492 1.00 0.24 O ATOM 195 CB VAL A 13 130.174 -2.147 -7.175 1.00 0.32 C ATOM 196 CG1 VAL A 13 129.918 -3.648 -7.242 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.250 -1.488 -6.158 1.00 0.53 C ATOM 0 H VAL A 13 132.160 -3.042 -8.498 1.00 0.26 H new ATOM 0 HA VAL A 13 131.765 -0.748 -6.845 1.00 0.26 H new ATOM 0 HB VAL A 13 129.958 -1.733 -8.160 1.00 0.32 H new ATOM 0 HG11 VAL A 13 128.868 -3.828 -7.471 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.540 -4.089 -8.021 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.163 -4.102 -6.282 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.214 -1.721 -6.403 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.480 -1.863 -5.161 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.395 -0.408 -6.181 1.00 0.53 H new ATOM 207 N LYS A 14 132.281 -3.701 -5.427 1.00 0.24 N ATOM 208 CA LYS A 14 132.661 -4.369 -4.186 1.00 0.23 C ATOM 209 C LYS A 14 133.902 -3.710 -3.585 1.00 0.21 C ATOM 210 O LYS A 14 133.886 -3.282 -2.431 1.00 0.28 O ATOM 211 CB LYS A 14 132.922 -5.859 -4.434 1.00 0.30 C ATOM 212 CG LYS A 14 133.223 -6.644 -3.167 1.00 0.84 C ATOM 213 CD LYS A 14 133.077 -8.142 -3.387 1.00 0.68 C ATOM 214 CE LYS A 14 132.591 -8.845 -2.129 1.00 0.73 C ATOM 215 NZ LYS A 14 132.905 -10.301 -2.148 1.00 0.75 N ATOM 0 H LYS A 14 132.229 -4.319 -6.237 1.00 0.24 H new ATOM 0 HA LYS A 14 131.836 -4.274 -3.479 1.00 0.23 H new ATOM 0 HB2 LYS A 14 132.051 -6.295 -4.923 1.00 0.30 H new ATOM 0 HB3 LYS A 14 133.760 -5.963 -5.123 1.00 0.30 H new ATOM 0 HG2 LYS A 14 134.237 -6.422 -2.833 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.549 -6.325 -2.372 1.00 0.84 H new ATOM 0 HD2 LYS A 14 132.376 -8.325 -4.201 1.00 0.68 H new ATOM 0 HD3 LYS A 14 134.036 -8.561 -3.692 1.00 0.68 H new ATOM 0 HE2 LYS A 14 133.053 -8.386 -1.255 1.00 0.73 H new ATOM 0 HE3 LYS A 14 131.514 -8.707 -2.029 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.557 -10.743 -1.273 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.443 -10.745 -2.967 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.934 -10.433 -2.217 1.00 0.75 H new ATOM 229 N HIS A 15 134.979 -3.651 -4.374 1.00 0.25 N ATOM 230 CA HIS A 15 136.245 -3.061 -3.929 1.00 0.27 C ATOM 231 C HIS A 15 136.046 -1.723 -3.224 1.00 0.23 C ATOM 232 O HIS A 15 136.675 -1.469 -2.195 1.00 0.43 O ATOM 233 CB HIS A 15 137.200 -2.883 -5.113 1.00 0.33 C ATOM 234 CG HIS A 15 137.939 -4.134 -5.461 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.244 -4.150 -5.906 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.542 -5.424 -5.417 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.616 -5.400 -6.122 1.00 0.88 C ATOM 238 NE2 HIS A 15 138.600 -6.193 -5.832 1.00 0.72 N ATOM 0 H HIS A 15 134.999 -4.007 -5.330 1.00 0.25 H new ATOM 0 HA HIS A 15 136.679 -3.754 -3.208 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.634 -2.549 -5.982 1.00 0.33 H new ATOM 0 HB3 HIS A 15 137.918 -2.097 -4.879 1.00 0.33 H new ATOM 0 HD2 HIS A 15 136.571 -5.784 -5.111 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.586 -5.719 -6.475 1.00 0.88 H new ATOM 0 HE2 HIS A 15 138.602 -7.210 -5.905 1.00 0.72 H new ATOM 247 N LYS A 16 135.184 -0.860 -3.770 1.00 0.21 N ATOM 248 CA LYS A 16 134.933 0.452 -3.168 1.00 0.25 C ATOM 249 C LYS A 16 134.129 0.333 -1.875 1.00 0.32 C ATOM 250 O LYS A 16 134.418 1.027 -0.899 1.00 0.62 O ATOM 251 CB LYS A 16 134.189 1.356 -4.156 1.00 0.37 C ATOM 252 CG LYS A 16 135.073 1.911 -5.263 1.00 0.50 C ATOM 253 CD LYS A 16 134.306 2.061 -6.569 1.00 0.57 C ATOM 254 CE LYS A 16 133.540 3.376 -6.623 1.00 0.59 C ATOM 255 NZ LYS A 16 132.106 3.204 -6.256 1.00 0.66 N ATOM 0 H LYS A 16 134.652 -1.044 -4.621 1.00 0.21 H new ATOM 0 HA LYS A 16 135.900 0.893 -2.927 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.371 0.793 -4.605 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.742 2.186 -3.609 1.00 0.37 H new ATOM 0 HG2 LYS A 16 135.471 2.880 -4.961 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.926 1.249 -5.415 1.00 0.50 H new ATOM 0 HD2 LYS A 16 135.001 2.010 -7.407 1.00 0.57 H new ATOM 0 HD3 LYS A 16 133.610 1.229 -6.680 1.00 0.57 H new ATOM 0 HE2 LYS A 16 134.004 4.093 -5.946 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.609 3.795 -7.627 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.622 4.123 -6.306 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.656 2.539 -6.917 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 132.038 2.829 -5.288 1.00 0.66 H new ATOM 269 N GLU A 17 133.119 -0.546 -1.871 1.00 0.32 N ATOM 270 CA GLU A 17 132.280 -0.748 -0.686 1.00 0.39 C ATOM 271 C GLU A 17 133.138 -1.102 0.534 1.00 0.32 C ATOM 272 O GLU A 17 132.824 -0.706 1.657 1.00 0.40 O ATOM 273 CB GLU A 17 131.224 -1.838 -0.948 1.00 0.51 C ATOM 274 CG GLU A 17 131.549 -3.193 -0.334 1.00 0.80 C ATOM 275 CD GLU A 17 130.473 -4.228 -0.600 1.00 1.08 C ATOM 276 OE1 GLU A 17 130.397 -4.729 -1.741 1.00 1.43 O ATOM 277 OE2 GLU A 17 129.706 -4.539 0.335 1.00 1.47 O ATOM 0 H GLU A 17 132.865 -1.125 -2.671 1.00 0.32 H new ATOM 0 HA GLU A 17 131.760 0.186 -0.473 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.265 -1.498 -0.559 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.106 -1.960 -2.025 1.00 0.51 H new ATOM 0 HG2 GLU A 17 132.498 -3.550 -0.734 1.00 0.80 H new ATOM 0 HG3 GLU A 17 131.679 -3.078 0.742 1.00 0.80 H new ATOM 284 N LEU A 18 134.232 -1.835 0.299 1.00 0.32 N ATOM 285 CA LEU A 18 135.148 -2.226 1.370 1.00 0.34 C ATOM 286 C LEU A 18 135.971 -1.026 1.848 1.00 0.33 C ATOM 287 O LEU A 18 136.369 -0.965 3.012 1.00 0.66 O ATOM 288 CB LEU A 18 136.075 -3.350 0.899 1.00 0.53 C ATOM 289 CG LEU A 18 135.413 -4.725 0.774 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.194 -5.611 -0.184 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.293 -5.385 2.141 1.00 0.79 C ATOM 0 H LEU A 18 134.503 -2.169 -0.626 1.00 0.32 H new ATOM 0 HA LEU A 18 134.554 -2.591 2.208 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.492 -3.075 -0.070 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.910 -3.427 1.595 1.00 0.53 H new ATOM 0 HG LEU A 18 134.410 -4.588 0.370 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.707 -6.583 -0.259 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.225 -5.144 -1.168 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.210 -5.742 0.188 1.00 0.86 H new ATOM 0 HD21 LEU A 18 134.820 -6.361 2.033 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.286 -5.508 2.574 1.00 0.79 H new ATOM 0 HD23 LEU A 18 134.687 -4.759 2.796 1.00 0.79 H new ATOM 303 N LEU A 19 136.201 -0.063 0.948 1.00 0.43 N ATOM 304 CA LEU A 19 136.949 1.148 1.284 1.00 0.44 C ATOM 305 C LEU A 19 136.052 2.142 2.024 1.00 0.30 C ATOM 306 O LEU A 19 136.523 2.917 2.857 1.00 0.45 O ATOM 307 CB LEU A 19 137.514 1.799 0.017 1.00 0.57 C ATOM 308 CG LEU A 19 139.038 1.740 -0.120 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.448 1.836 -1.583 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.690 2.850 0.695 1.00 0.94 C ATOM 0 H LEU A 19 135.878 -0.102 -0.019 1.00 0.43 H new ATOM 0 HA LEU A 19 137.777 0.868 1.935 1.00 0.44 H new ATOM 0 HB2 LEU A 19 137.068 1.315 -0.852 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.203 2.843 -0.006 1.00 0.57 H new ATOM 0 HG LEU A 19 139.382 0.782 0.269 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.534 1.792 -1.660 1.00 0.88 H new ATOM 0 HD12 LEU A 19 139.011 1.006 -2.138 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.092 2.778 -1.999 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.773 2.793 0.586 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.340 3.818 0.337 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.424 2.734 1.746 1.00 0.94 H new ATOM 322 N ARG A 20 134.750 2.092 1.725 1.00 0.32 N ATOM 323 CA ARG A 20 133.778 2.965 2.372 1.00 0.50 C ATOM 324 C ARG A 20 133.548 2.498 3.805 1.00 0.40 C ATOM 325 O ARG A 20 133.781 3.246 4.755 1.00 0.47 O ATOM 326 CB ARG A 20 132.457 2.979 1.598 1.00 0.78 C ATOM 327 CG ARG A 20 131.769 4.335 1.603 1.00 0.89 C ATOM 328 CD ARG A 20 130.604 4.379 0.626 1.00 0.98 C ATOM 329 NE ARG A 20 130.762 5.441 -0.368 1.00 1.06 N ATOM 330 CZ ARG A 20 131.391 5.289 -1.539 1.00 1.17 C ATOM 331 NH1 ARG A 20 131.940 4.122 -1.870 1.00 1.74 N ATOM 332 NH2 ARG A 20 131.474 6.313 -2.381 1.00 1.60 N ATOM 0 H ARG A 20 134.349 1.454 1.038 1.00 0.32 H new ATOM 0 HA ARG A 20 134.172 3.981 2.383 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.645 2.679 0.567 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.784 2.237 2.028 1.00 0.78 H new ATOM 0 HG2 ARG A 20 131.410 4.557 2.608 1.00 0.89 H new ATOM 0 HG3 ARG A 20 132.490 5.110 1.344 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.519 3.418 0.119 1.00 0.98 H new ATOM 0 HD3 ARG A 20 129.675 4.532 1.176 1.00 0.98 H new ATOM 0 HE ARG A 20 130.367 6.357 -0.154 1.00 1.06 H new ATOM 0 HH11 ARG A 20 131.884 3.331 -1.228 1.00 1.74 H new ATOM 0 HH12 ARG A 20 132.417 4.019 -2.766 1.00 1.74 H new ATOM 0 HH21 ARG A 20 131.059 7.211 -2.134 1.00 1.60 H new ATOM 0 HH22 ARG A 20 131.953 6.201 -3.275 1.00 1.60 H new ATOM 346 N ARG A 21 133.097 1.248 3.945 1.00 0.36 N ATOM 347 CA ARG A 21 132.843 0.657 5.258 1.00 0.37 C ATOM 348 C ARG A 21 134.054 0.826 6.173 1.00 0.35 C ATOM 349 O ARG A 21 133.911 1.213 7.332 1.00 0.49 O ATOM 350 CB ARG A 21 132.498 -0.828 5.118 1.00 0.47 C ATOM 351 CG ARG A 21 131.149 -1.195 5.712 1.00 0.71 C ATOM 352 CD ARG A 21 130.855 -2.678 5.552 1.00 0.94 C ATOM 353 NE ARG A 21 130.625 -3.336 6.838 1.00 0.95 N ATOM 354 CZ ARG A 21 130.332 -4.631 6.972 1.00 1.19 C ATOM 355 NH1 ARG A 21 130.225 -5.415 5.901 1.00 2.03 N ATOM 356 NH2 ARG A 21 130.143 -5.145 8.182 1.00 1.50 N ATOM 0 H ARG A 21 132.900 0.626 3.161 1.00 0.36 H new ATOM 0 HA ARG A 21 131.995 1.177 5.704 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.506 -1.097 4.062 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.273 -1.420 5.604 1.00 0.47 H new ATOM 0 HG2 ARG A 21 131.132 -0.932 6.770 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.366 -0.613 5.226 1.00 0.71 H new ATOM 0 HD2 ARG A 21 129.978 -2.807 4.918 1.00 0.94 H new ATOM 0 HD3 ARG A 21 131.690 -3.160 5.043 1.00 0.94 H new ATOM 0 HE ARG A 21 130.693 -2.770 7.684 1.00 0.95 H new ATOM 0 HH11 ARG A 21 130.367 -5.027 4.969 1.00 2.03 H new ATOM 0 HH12 ARG A 21 130.001 -6.404 6.013 1.00 2.03 H new ATOM 0 HH21 ARG A 21 130.222 -4.550 9.007 1.00 1.50 H new ATOM 0 HH22 ARG A 21 129.919 -6.135 8.286 1.00 1.50 H new ATOM 370 N LYS A 22 135.245 0.529 5.641 1.00 0.33 N ATOM 371 CA LYS A 22 136.492 0.644 6.400 1.00 0.41 C ATOM 372 C LYS A 22 136.602 2.000 7.105 1.00 0.34 C ATOM 373 O LYS A 22 137.062 2.074 8.246 1.00 0.36 O ATOM 374 CB LYS A 22 137.694 0.441 5.474 1.00 0.56 C ATOM 375 CG LYS A 22 139.029 0.427 6.200 1.00 0.77 C ATOM 376 CD LYS A 22 140.156 -0.039 5.291 1.00 0.95 C ATOM 377 CE LYS A 22 141.103 1.100 4.944 1.00 0.76 C ATOM 378 NZ LYS A 22 142.460 0.892 5.521 1.00 0.71 N ATOM 0 H LYS A 22 135.370 0.205 4.682 1.00 0.33 H new ATOM 0 HA LYS A 22 136.486 -0.133 7.165 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.573 -0.500 4.937 1.00 0.56 H new ATOM 0 HB3 LYS A 22 137.705 1.235 4.728 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.251 1.427 6.573 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.965 -0.230 7.067 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.712 -0.839 5.780 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.737 -0.456 4.375 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.180 1.191 3.860 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.692 2.039 5.314 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.074 1.690 5.261 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 142.391 0.831 6.557 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.864 0.009 5.148 1.00 0.71 H new ATOM 392 N ASP A 23 136.172 3.067 6.426 1.00 0.34 N ATOM 393 CA ASP A 23 136.217 4.413 6.997 1.00 0.32 C ATOM 394 C ASP A 23 135.061 4.628 7.972 1.00 0.29 C ATOM 395 O ASP A 23 135.233 5.247 9.020 1.00 0.34 O ATOM 396 CB ASP A 23 136.169 5.466 5.887 1.00 0.37 C ATOM 397 CG ASP A 23 137.535 5.741 5.289 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.951 4.986 4.385 1.00 1.17 O ATOM 399 OD2 ASP A 23 138.191 6.709 5.727 1.00 1.15 O ATOM 0 H ASP A 23 135.789 3.024 5.481 1.00 0.34 H new ATOM 0 HA ASP A 23 137.154 4.518 7.543 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.493 5.130 5.101 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.758 6.393 6.287 1.00 0.37 H new ATOM 404 N THR A 24 133.884 4.105 7.621 1.00 0.27 N ATOM 405 CA THR A 24 132.697 4.228 8.467 1.00 0.28 C ATOM 406 C THR A 24 132.874 3.458 9.783 1.00 0.27 C ATOM 407 O THR A 24 132.229 3.775 10.783 1.00 0.32 O ATOM 408 CB THR A 24 131.460 3.718 7.719 1.00 0.31 C ATOM 409 OG1 THR A 24 131.385 4.287 6.421 1.00 0.52 O ATOM 410 CG2 THR A 24 130.156 4.023 8.427 1.00 0.53 C ATOM 0 H THR A 24 133.728 3.591 6.754 1.00 0.27 H new ATOM 0 HA THR A 24 132.559 5.282 8.707 1.00 0.28 H new ATOM 0 HB THR A 24 131.583 2.636 7.672 1.00 0.31 H new ATOM 0 HG1 THR A 24 132.049 3.862 5.839 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.324 3.633 7.841 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.158 3.554 9.411 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.047 5.102 8.539 1.00 0.53 H new ATOM 418 N HIS A 25 133.759 2.455 9.777 1.00 0.27 N ATOM 419 CA HIS A 25 134.027 1.654 10.971 1.00 0.31 C ATOM 420 C HIS A 25 134.875 2.445 11.962 1.00 0.33 C ATOM 421 O HIS A 25 134.478 2.630 13.111 1.00 0.43 O ATOM 422 CB HIS A 25 134.729 0.343 10.599 1.00 0.37 C ATOM 423 CG HIS A 25 134.326 -0.820 11.456 1.00 0.38 C ATOM 424 ND1 HIS A 25 133.979 -0.695 12.786 1.00 0.92 N ATOM 425 CD2 HIS A 25 134.216 -2.138 11.164 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.676 -1.885 13.273 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.811 -2.777 12.310 1.00 0.75 N ATOM 0 H HIS A 25 134.301 2.181 8.957 1.00 0.27 H new ATOM 0 HA HIS A 25 133.074 1.412 11.441 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.512 0.108 9.557 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.807 0.484 10.676 1.00 0.37 H new ATOM 0 HD2 HIS A 25 134.411 -2.600 10.208 1.00 0.92 H new ATOM 0 HE1 HIS A 25 133.370 -2.093 14.288 1.00 0.79 H new ATOM 0 HE2 HIS A 25 133.642 -3.779 12.402 1.00 0.75 H new ATOM 436 N ILE A 26 136.030 2.935 11.507 1.00 0.31 N ATOM 437 CA ILE A 26 136.905 3.737 12.363 1.00 0.35 C ATOM 438 C ILE A 26 136.196 5.034 12.767 1.00 0.34 C ATOM 439 O ILE A 26 136.431 5.574 13.849 1.00 0.46 O ATOM 440 CB ILE A 26 138.252 4.072 11.676 1.00 0.42 C ATOM 441 CG1 ILE A 26 138.029 4.625 10.263 1.00 0.40 C ATOM 442 CG2 ILE A 26 139.142 2.838 11.630 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.451 6.070 10.102 1.00 0.68 C ATOM 0 H ILE A 26 136.379 2.792 10.559 1.00 0.31 H new ATOM 0 HA ILE A 26 137.126 3.141 13.249 1.00 0.35 H new ATOM 0 HB ILE A 26 138.750 4.843 12.264 1.00 0.42 H new ATOM 0 HG12 ILE A 26 138.582 4.013 9.551 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.973 4.534 10.009 1.00 0.40 H new ATOM 0 HG21 ILE A 26 140.085 3.088 11.145 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.337 2.492 12.645 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.642 2.050 11.067 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.264 6.392 9.078 1.00 0.68 H new ATOM 0 HD12 ILE A 26 137.880 6.695 10.789 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.514 6.165 10.324 1.00 0.68 H new ATOM 455 N ARG A 27 135.306 5.506 11.887 1.00 0.29 N ATOM 456 CA ARG A 27 134.529 6.716 12.136 1.00 0.35 C ATOM 457 C ARG A 27 133.478 6.465 13.220 1.00 0.34 C ATOM 458 O ARG A 27 133.280 7.300 14.105 1.00 0.39 O ATOM 459 CB ARG A 27 133.852 7.193 10.847 1.00 0.44 C ATOM 460 CG ARG A 27 133.208 8.566 10.964 1.00 0.52 C ATOM 461 CD ARG A 27 131.690 8.475 10.926 1.00 0.81 C ATOM 462 NE ARG A 27 131.056 9.461 11.804 1.00 0.91 N ATOM 463 CZ ARG A 27 129.749 9.735 11.801 1.00 0.92 C ATOM 464 NH1 ARG A 27 128.927 9.101 10.967 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.263 10.646 12.637 1.00 1.68 N ATOM 0 H ARG A 27 135.108 5.061 10.991 1.00 0.29 H new ATOM 0 HA ARG A 27 135.209 7.494 12.483 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.591 7.216 10.046 1.00 0.44 H new ATOM 0 HB3 ARG A 27 133.091 6.468 10.558 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.522 9.038 11.895 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.556 9.203 10.151 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.344 8.625 9.903 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.380 7.473 11.223 1.00 0.81 H new ATOM 0 HE ARG A 27 131.650 9.970 12.459 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.294 8.400 10.324 1.00 1.19 H new ATOM 0 HH12 ARG A 27 127.930 9.317 10.971 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.888 11.134 13.279 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.265 10.857 12.637 1.00 1.68 H new ATOM 479 N GLU A 28 132.812 5.305 13.150 1.00 0.33 N ATOM 480 CA GLU A 28 131.791 4.946 14.133 1.00 0.38 C ATOM 481 C GLU A 28 132.430 4.588 15.475 1.00 0.37 C ATOM 482 O GLU A 28 131.877 4.892 16.534 1.00 0.47 O ATOM 483 CB GLU A 28 130.910 3.794 13.618 1.00 0.48 C ATOM 484 CG GLU A 28 131.454 2.397 13.898 1.00 0.81 C ATOM 485 CD GLU A 28 130.987 1.835 15.230 1.00 1.22 C ATOM 486 OE1 GLU A 28 129.759 1.730 15.436 1.00 1.66 O ATOM 487 OE2 GLU A 28 131.851 1.495 16.066 1.00 1.85 O ATOM 0 H GLU A 28 132.964 4.604 12.425 1.00 0.33 H new ATOM 0 HA GLU A 28 131.150 5.815 14.285 1.00 0.38 H new ATOM 0 HB2 GLU A 28 129.922 3.881 14.070 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.779 3.909 12.542 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.144 1.725 13.098 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.543 2.428 13.885 1.00 0.81 H new ATOM 494 N LEU A 29 133.601 3.942 15.425 1.00 0.34 N ATOM 495 CA LEU A 29 134.320 3.546 16.634 1.00 0.38 C ATOM 496 C LEU A 29 134.817 4.768 17.410 1.00 0.42 C ATOM 497 O LEU A 29 135.016 4.695 18.622 1.00 0.80 O ATOM 498 CB LEU A 29 135.501 2.635 16.281 1.00 0.48 C ATOM 499 CG LEU A 29 135.504 1.274 16.983 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.065 0.176 16.024 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.882 0.969 17.553 1.00 0.58 C ATOM 0 H LEU A 29 134.069 3.683 14.556 1.00 0.34 H new ATOM 0 HA LEU A 29 133.624 2.998 17.269 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.504 2.471 15.203 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.427 3.155 16.526 1.00 0.48 H new ATOM 0 HG LEU A 29 134.793 1.312 17.808 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.074 -0.784 16.541 1.00 0.84 H new ATOM 0 HD12 LEU A 29 134.057 0.387 15.667 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.750 0.138 15.177 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.864 -0.002 18.048 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.614 0.951 16.746 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.156 1.739 18.274 1.00 0.58 H new ATOM 513 N GLU A 30 135.000 5.893 16.710 1.00 0.42 N ATOM 514 CA GLU A 30 135.454 7.128 17.348 1.00 0.46 C ATOM 515 C GLU A 30 134.377 7.672 18.287 1.00 0.46 C ATOM 516 O GLU A 30 134.686 8.284 19.310 1.00 0.61 O ATOM 517 CB GLU A 30 135.810 8.177 16.292 1.00 0.51 C ATOM 518 CG GLU A 30 137.249 8.092 15.810 1.00 0.57 C ATOM 519 CD GLU A 30 137.693 9.343 15.077 1.00 0.91 C ATOM 520 OE1 GLU A 30 137.492 9.413 13.846 1.00 1.24 O ATOM 521 OE2 GLU A 30 138.239 10.255 15.734 1.00 1.33 O ATOM 0 H GLU A 30 134.841 5.971 15.706 1.00 0.42 H new ATOM 0 HA GLU A 30 136.346 6.904 17.932 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.142 8.062 15.438 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.632 9.170 16.704 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.905 7.924 16.664 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.357 7.231 15.150 1.00 0.57 H new ATOM 528 N ASP A 31 133.111 7.424 17.936 1.00 0.43 N ATOM 529 CA ASP A 31 131.981 7.865 18.749 1.00 0.58 C ATOM 530 C ASP A 31 131.875 7.015 20.014 1.00 0.59 C ATOM 531 O ASP A 31 131.613 7.534 21.101 1.00 0.78 O ATOM 532 CB ASP A 31 130.678 7.774 17.948 1.00 0.71 C ATOM 533 CG ASP A 31 130.598 8.821 16.853 1.00 1.27 C ATOM 534 OD1 ASP A 31 131.068 8.543 15.729 1.00 1.73 O ATOM 535 OD2 ASP A 31 130.067 9.920 17.120 1.00 1.65 O ATOM 0 H ASP A 31 132.846 6.918 17.091 1.00 0.43 H new ATOM 0 HA ASP A 31 132.146 8.904 19.034 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.596 6.782 17.505 1.00 0.71 H new ATOM 0 HB3 ASP A 31 129.831 7.893 18.623 1.00 0.71 H new ATOM 540 N TYR A 32 132.100 5.706 19.863 1.00 0.51 N ATOM 541 CA TYR A 32 132.052 4.775 20.989 1.00 0.56 C ATOM 542 C TYR A 32 133.218 5.027 21.945 1.00 0.55 C ATOM 543 O TYR A 32 133.049 4.995 23.165 1.00 0.64 O ATOM 544 CB TYR A 32 132.100 3.326 20.487 1.00 0.61 C ATOM 545 CG TYR A 32 130.775 2.601 20.577 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.122 2.454 21.795 1.00 1.15 C ATOM 547 CD2 TYR A 32 130.179 2.061 19.444 1.00 0.98 C ATOM 548 CE1 TYR A 32 128.913 1.790 21.881 1.00 1.38 C ATOM 549 CE2 TYR A 32 128.971 1.395 19.522 1.00 1.19 C ATOM 550 CZ TYR A 32 128.342 1.262 20.742 1.00 1.23 C ATOM 551 OH TYR A 32 127.139 0.597 20.824 1.00 1.55 O ATOM 0 H TYR A 32 132.318 5.268 18.968 1.00 0.51 H new ATOM 0 HA TYR A 32 131.116 4.937 21.523 1.00 0.56 H new ATOM 0 HB2 TYR A 32 132.435 3.322 19.450 1.00 0.61 H new ATOM 0 HB3 TYR A 32 132.844 2.776 21.064 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.567 2.865 22.689 1.00 1.15 H new ATOM 0 HD2 TYR A 32 130.668 2.164 18.487 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.418 1.685 22.835 1.00 1.38 H new ATOM 0 HE2 TYR A 32 128.521 0.981 18.632 1.00 1.19 H new ATOM 0 HH TYR A 32 126.875 0.288 19.932 1.00 1.55 H new ATOM 561 N ILE A 33 134.399 5.279 21.376 1.00 0.53 N ATOM 562 CA ILE A 33 135.601 5.541 22.164 1.00 0.62 C ATOM 563 C ILE A 33 135.557 6.927 22.817 1.00 0.58 C ATOM 564 O ILE A 33 136.227 7.159 23.827 1.00 0.77 O ATOM 565 CB ILE A 33 136.878 5.425 21.296 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.035 3.996 20.766 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.114 5.833 22.090 1.00 0.94 C ATOM 568 CD1 ILE A 33 137.911 3.899 19.535 1.00 0.85 C ATOM 0 H ILE A 33 134.547 5.307 20.367 1.00 0.53 H new ATOM 0 HA ILE A 33 135.632 4.785 22.948 1.00 0.62 H new ATOM 0 HB ILE A 33 136.776 6.104 20.450 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.457 3.370 21.552 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.049 3.594 20.533 1.00 0.82 H new ATOM 0 HG21 ILE A 33 138.998 5.743 21.459 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.009 6.866 22.422 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.220 5.182 22.958 1.00 0.94 H new ATOM 0 HD11 ILE A 33 137.977 2.859 19.216 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.479 4.498 18.733 1.00 0.85 H new ATOM 0 HD13 ILE A 33 138.909 4.271 19.768 1.00 0.85 H new ATOM 580 N ASP A 34 134.772 7.850 22.245 1.00 0.49 N ATOM 581 CA ASP A 34 134.658 9.206 22.786 1.00 0.54 C ATOM 582 C ASP A 34 134.124 9.203 24.218 1.00 0.44 C ATOM 583 O ASP A 34 134.470 10.077 25.001 1.00 0.47 O ATOM 584 CB ASP A 34 133.750 10.062 21.896 1.00 0.75 C ATOM 585 CG ASP A 34 134.478 11.255 21.306 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.671 12.252 22.034 1.00 1.42 O ATOM 587 OD2 ASP A 34 134.856 11.191 20.118 1.00 1.49 O ATOM 0 H ASP A 34 134.210 7.681 21.411 1.00 0.49 H new ATOM 0 HA ASP A 34 135.660 9.635 22.801 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.352 9.447 21.089 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.898 10.412 22.480 1.00 0.75 H new ATOM 592 N ASN A 35 133.273 8.223 24.547 1.00 0.53 N ATOM 593 CA ASN A 35 132.683 8.105 25.886 1.00 0.57 C ATOM 594 C ASN A 35 133.692 8.460 26.982 1.00 0.47 C ATOM 595 O ASN A 35 133.356 9.161 27.937 1.00 0.58 O ATOM 596 CB ASN A 35 132.150 6.686 26.104 1.00 0.74 C ATOM 597 CG ASN A 35 130.731 6.518 25.589 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.766 6.701 26.330 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.597 6.169 24.312 1.00 1.32 N ATOM 0 H ASN A 35 132.976 7.495 23.898 1.00 0.53 H new ATOM 0 HA ASN A 35 131.859 8.816 25.949 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.804 5.973 25.601 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.179 6.449 27.167 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.667 6.043 23.913 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.424 6.027 23.733 1.00 1.32 H new ATOM 606 N LEU A 36 134.934 7.988 26.825 1.00 0.42 N ATOM 607 CA LEU A 36 135.995 8.276 27.792 1.00 0.47 C ATOM 608 C LEU A 36 136.257 9.782 27.852 1.00 0.42 C ATOM 609 O LEU A 36 136.292 10.373 28.933 1.00 0.53 O ATOM 610 CB LEU A 36 137.284 7.533 27.419 1.00 0.66 C ATOM 611 CG LEU A 36 137.120 6.036 27.139 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.307 5.507 26.347 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.954 5.262 28.440 1.00 1.66 C ATOM 0 H LEU A 36 135.227 7.407 26.040 1.00 0.42 H new ATOM 0 HA LEU A 36 135.669 7.932 28.773 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.714 8.006 26.536 1.00 0.66 H new ATOM 0 HB3 LEU A 36 138.003 7.658 28.229 1.00 0.66 H new ATOM 0 HG LEU A 36 136.220 5.895 26.541 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.173 4.442 26.158 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.377 6.038 25.398 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.223 5.661 26.917 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.839 4.201 28.220 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.834 5.409 29.066 1.00 1.66 H new ATOM 0 HD23 LEU A 36 136.070 5.621 28.967 1.00 1.66 H new ATOM 625 N LEU A 37 136.417 10.394 26.675 1.00 0.36 N ATOM 626 CA LEU A 37 136.650 11.830 26.567 1.00 0.40 C ATOM 627 C LEU A 37 135.473 12.513 25.858 1.00 0.32 C ATOM 628 O LEU A 37 135.636 13.143 24.810 1.00 0.42 O ATOM 629 CB LEU A 37 137.962 12.105 25.820 1.00 0.56 C ATOM 630 CG LEU A 37 138.091 11.421 24.454 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.766 12.346 23.452 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.859 10.112 24.581 1.00 0.63 C ATOM 0 H LEU A 37 136.388 9.909 25.778 1.00 0.36 H new ATOM 0 HA LEU A 37 136.733 12.244 27.572 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.063 13.181 25.681 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.793 11.785 26.448 1.00 0.56 H new ATOM 0 HG LEU A 37 137.089 11.195 24.088 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.848 11.842 22.489 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.173 13.253 23.337 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.762 12.607 23.811 1.00 0.73 H new ATOM 0 HD21 LEU A 37 138.940 9.641 23.601 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.857 10.312 24.971 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.330 9.445 25.261 1.00 0.63 H new ATOM 644 N VAL A 38 134.284 12.370 26.454 1.00 0.29 N ATOM 645 CA VAL A 38 133.051 12.960 25.929 1.00 0.41 C ATOM 646 C VAL A 38 131.929 12.836 26.965 1.00 0.38 C ATOM 647 O VAL A 38 132.014 12.006 27.875 1.00 0.61 O ATOM 648 CB VAL A 38 132.613 12.303 24.595 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.644 11.150 24.830 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.996 13.340 23.669 1.00 0.99 C ATOM 0 H VAL A 38 134.151 11.841 27.316 1.00 0.29 H new ATOM 0 HA VAL A 38 133.251 14.012 25.727 1.00 0.41 H new ATOM 0 HB VAL A 38 133.504 11.893 24.119 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.359 10.714 23.873 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.125 10.390 25.446 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.754 11.520 25.339 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.694 12.862 22.737 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.123 13.783 24.149 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.728 14.119 23.456 1.00 0.99 H new ATOM 660 N ARG A 39 130.884 13.660 26.838 1.00 0.44 N ATOM 661 CA ARG A 39 129.761 13.631 27.778 1.00 0.47 C ATOM 662 C ARG A 39 129.226 12.212 27.972 1.00 0.53 C ATOM 663 O ARG A 39 128.875 11.531 27.006 1.00 0.86 O ATOM 664 CB ARG A 39 128.635 14.547 27.289 1.00 0.59 C ATOM 665 CG ARG A 39 127.504 14.717 28.293 1.00 0.75 C ATOM 666 CD ARG A 39 127.932 15.573 29.476 1.00 0.97 C ATOM 667 NE ARG A 39 127.993 16.994 29.131 1.00 0.93 N ATOM 668 CZ ARG A 39 126.964 17.840 29.237 1.00 1.00 C ATOM 669 NH1 ARG A 39 125.778 17.418 29.672 1.00 1.27 N ATOM 670 NH2 ARG A 39 127.122 19.116 28.902 1.00 1.48 N ATOM 0 H ARG A 39 130.793 14.353 26.095 1.00 0.44 H new ATOM 0 HA ARG A 39 130.128 13.989 28.740 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.052 15.527 27.055 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.228 14.144 26.362 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.646 15.176 27.802 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.182 13.738 28.649 1.00 0.75 H new ATOM 0 HD2 ARG A 39 127.232 15.430 30.299 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.910 15.243 29.827 1.00 0.97 H new ATOM 0 HE ARG A 39 128.879 17.363 28.787 1.00 0.93 H new ATOM 0 HH11 ARG A 39 125.648 16.439 29.929 1.00 1.27 H new ATOM 0 HH12 ARG A 39 125.000 18.073 29.749 1.00 1.27 H new ATOM 0 HH21 ARG A 39 128.026 19.447 28.565 1.00 1.48 H new ATOM 0 HH22 ARG A 39 126.339 19.765 28.981 1.00 1.48 H new ATOM 684 N VAL A 40 129.166 11.780 29.232 1.00 0.46 N ATOM 685 CA VAL A 40 128.675 10.446 29.572 1.00 0.53 C ATOM 686 C VAL A 40 127.235 10.503 30.080 1.00 0.53 C ATOM 687 O VAL A 40 126.862 11.416 30.820 1.00 0.66 O ATOM 688 CB VAL A 40 129.563 9.763 30.638 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.898 9.348 30.038 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.773 10.675 31.843 1.00 0.78 C ATOM 0 H VAL A 40 129.453 12.338 30.036 1.00 0.46 H new ATOM 0 HA VAL A 40 128.712 9.856 28.656 1.00 0.53 H new ATOM 0 HB VAL A 40 129.047 8.866 30.982 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.508 8.869 30.804 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.727 8.648 29.220 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.416 10.229 29.659 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.401 10.170 32.577 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.260 11.596 31.522 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.809 10.912 32.292 1.00 0.78 H new ATOM 700 N MET A 41 126.430 9.520 29.675 1.00 0.53 N ATOM 701 CA MET A 41 125.029 9.453 30.085 1.00 0.60 C ATOM 702 C MET A 41 124.739 8.151 30.828 1.00 0.86 C ATOM 703 O MET A 41 124.412 8.162 32.014 1.00 1.20 O ATOM 704 CB MET A 41 124.108 9.578 28.866 1.00 0.75 C ATOM 705 CG MET A 41 124.377 8.543 27.782 1.00 0.56 C ATOM 706 SD MET A 41 122.956 8.281 26.704 1.00 0.67 S ATOM 707 CE MET A 41 123.038 9.743 25.672 1.00 0.54 C ATOM 0 H MET A 41 126.725 8.759 29.063 1.00 0.53 H new ATOM 0 HA MET A 41 124.836 10.286 30.761 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.073 9.486 29.194 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.220 10.575 28.439 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.229 8.864 27.182 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.653 7.597 28.248 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.221 9.726 24.951 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.954 10.633 26.295 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.990 9.761 25.141 1.00 0.54 H new ATOM 718 N GLY B 1 135.594 5.039 -27.028 1.00 0.61 N ATOM 719 CA GLY B 1 136.691 4.312 -27.726 1.00 0.61 C ATOM 720 C GLY B 1 137.152 3.083 -26.964 1.00 0.52 C ATOM 721 O GLY B 1 136.912 1.954 -27.395 1.00 0.60 O ATOM 0 H1 GLY B 1 135.316 5.869 -27.589 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.776 4.407 -26.915 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.924 5.349 -26.092 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.351 4.014 -28.718 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.536 4.986 -27.868 1.00 0.61 H new ATOM 727 N SER B 2 137.813 3.306 -25.827 1.00 0.50 N ATOM 728 CA SER B 2 138.312 2.210 -24.995 1.00 0.49 C ATOM 729 C SER B 2 137.506 2.064 -23.705 1.00 0.47 C ATOM 730 O SER B 2 137.922 1.346 -22.796 1.00 0.63 O ATOM 731 CB SER B 2 139.792 2.425 -24.668 1.00 0.55 C ATOM 732 OG SER B 2 140.590 2.339 -25.835 1.00 0.67 O ATOM 0 H SER B 2 138.015 4.236 -25.461 1.00 0.50 H new ATOM 0 HA SER B 2 138.198 1.287 -25.564 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.927 3.402 -24.203 1.00 0.55 H new ATOM 0 HB3 SER B 2 140.120 1.679 -23.944 1.00 0.55 H new ATOM 0 HG SER B 2 141.531 2.482 -25.599 1.00 0.67 H new ATOM 738 N LEU B 3 136.341 2.718 -23.635 1.00 0.48 N ATOM 739 CA LEU B 3 135.479 2.618 -22.460 1.00 0.55 C ATOM 740 C LEU B 3 134.716 1.298 -22.513 1.00 0.65 C ATOM 741 O LEU B 3 133.500 1.272 -22.718 1.00 1.02 O ATOM 742 CB LEU B 3 134.499 3.796 -22.405 1.00 0.62 C ATOM 743 CG LEU B 3 135.125 5.153 -22.072 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.464 5.912 -23.347 1.00 0.61 C ATOM 745 CD2 LEU B 3 134.187 5.970 -21.194 1.00 0.76 C ATOM 0 H LEU B 3 135.978 3.318 -24.376 1.00 0.48 H new ATOM 0 HA LEU B 3 136.094 2.650 -21.561 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.995 3.873 -23.369 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.733 3.576 -21.662 1.00 0.62 H new ATOM 0 HG LEU B 3 136.049 4.981 -21.521 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.908 6.874 -23.091 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.172 5.332 -23.939 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.555 6.075 -23.926 1.00 0.61 H new ATOM 0 HD21 LEU B 3 134.647 6.932 -20.966 1.00 0.76 H new ATOM 0 HD22 LEU B 3 133.246 6.133 -21.720 1.00 0.76 H new ATOM 0 HD23 LEU B 3 133.995 5.431 -20.266 1.00 0.76 H new ATOM 757 N THR B 4 135.454 0.198 -22.367 1.00 0.46 N ATOM 758 CA THR B 4 134.876 -1.137 -22.439 1.00 0.55 C ATOM 759 C THR B 4 135.664 -2.127 -21.568 1.00 0.42 C ATOM 760 O THR B 4 136.358 -1.728 -20.635 1.00 0.43 O ATOM 761 CB THR B 4 134.835 -1.608 -23.906 1.00 0.72 C ATOM 762 OG1 THR B 4 135.544 -0.717 -24.753 1.00 0.70 O ATOM 763 CG2 THR B 4 133.430 -1.730 -24.452 1.00 0.90 C ATOM 0 H THR B 4 136.460 0.209 -22.197 1.00 0.46 H new ATOM 0 HA THR B 4 133.858 -1.098 -22.052 1.00 0.55 H new ATOM 0 HB THR B 4 135.301 -2.594 -23.899 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.503 -1.041 -25.677 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.470 -2.065 -25.488 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.870 -2.453 -23.858 1.00 0.90 H new ATOM 0 HG23 THR B 4 132.935 -0.760 -24.404 1.00 0.90 H new ATOM 771 N TYR B 5 135.521 -3.418 -21.878 1.00 0.50 N ATOM 772 CA TYR B 5 136.190 -4.497 -21.139 1.00 0.45 C ATOM 773 C TYR B 5 137.634 -4.132 -20.763 1.00 0.41 C ATOM 774 O TYR B 5 138.003 -4.175 -19.589 1.00 0.46 O ATOM 775 CB TYR B 5 136.177 -5.789 -21.963 1.00 0.57 C ATOM 776 CG TYR B 5 136.774 -6.981 -21.242 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.434 -7.269 -19.924 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.682 -7.815 -21.882 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.984 -8.352 -19.266 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.234 -8.901 -21.231 1.00 0.92 C ATOM 781 CZ TYR B 5 137.883 -9.165 -19.924 1.00 0.67 C ATOM 782 OH TYR B 5 138.434 -10.245 -19.273 1.00 0.84 O ATOM 0 H TYR B 5 134.939 -3.747 -22.648 1.00 0.50 H new ATOM 0 HA TYR B 5 135.636 -4.647 -20.212 1.00 0.45 H new ATOM 0 HB2 TYR B 5 135.149 -6.022 -22.240 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.727 -5.624 -22.889 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.729 -6.636 -19.407 1.00 0.69 H new ATOM 0 HD2 TYR B 5 137.961 -7.611 -22.905 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.712 -8.561 -18.242 1.00 0.69 H new ATOM 0 HE2 TYR B 5 138.937 -9.541 -21.743 1.00 0.92 H new ATOM 0 HH TYR B 5 139.046 -10.714 -19.878 1.00 0.84 H new ATOM 792 N GLU B 6 138.449 -3.789 -21.765 1.00 0.49 N ATOM 793 CA GLU B 6 139.856 -3.430 -21.539 1.00 0.50 C ATOM 794 C GLU B 6 140.015 -2.296 -20.514 1.00 0.38 C ATOM 795 O GLU B 6 141.055 -2.187 -19.861 1.00 0.44 O ATOM 796 CB GLU B 6 140.515 -3.022 -22.860 1.00 0.62 C ATOM 797 CG GLU B 6 141.633 -3.956 -23.296 1.00 0.68 C ATOM 798 CD GLU B 6 142.129 -3.656 -24.698 1.00 0.83 C ATOM 799 OE1 GLU B 6 143.054 -2.828 -24.836 1.00 1.01 O ATOM 800 OE2 GLU B 6 141.592 -4.249 -25.657 1.00 1.14 O ATOM 0 H GLU B 6 138.160 -3.752 -22.742 1.00 0.49 H new ATOM 0 HA GLU B 6 140.349 -4.313 -21.133 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.755 -2.989 -23.641 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.914 -2.013 -22.761 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.464 -3.874 -22.595 1.00 0.68 H new ATOM 0 HG3 GLU B 6 141.279 -4.986 -23.252 1.00 0.68 H new ATOM 807 N GLU B 7 138.983 -1.460 -20.375 1.00 0.32 N ATOM 808 CA GLU B 7 139.012 -0.342 -19.430 1.00 0.29 C ATOM 809 C GLU B 7 138.782 -0.815 -17.995 1.00 0.27 C ATOM 810 O GLU B 7 139.574 -0.512 -17.102 1.00 0.43 O ATOM 811 CB GLU B 7 137.954 0.700 -19.798 1.00 0.43 C ATOM 812 CG GLU B 7 138.364 2.129 -19.480 1.00 0.57 C ATOM 813 CD GLU B 7 138.017 2.533 -18.060 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.862 2.942 -17.824 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.901 2.438 -17.182 1.00 0.80 O ATOM 0 H GLU B 7 138.116 -1.537 -20.906 1.00 0.32 H new ATOM 0 HA GLU B 7 140.003 0.109 -19.491 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.736 0.623 -20.863 1.00 0.43 H new ATOM 0 HB3 GLU B 7 137.031 0.470 -19.267 1.00 0.43 H new ATOM 0 HG2 GLU B 7 139.438 2.237 -19.633 1.00 0.57 H new ATOM 0 HG3 GLU B 7 137.873 2.808 -20.177 1.00 0.57 H new ATOM 822 N VAL B 8 137.687 -1.551 -17.781 1.00 0.35 N ATOM 823 CA VAL B 8 137.346 -2.056 -16.451 1.00 0.37 C ATOM 824 C VAL B 8 138.448 -2.955 -15.879 1.00 0.28 C ATOM 825 O VAL B 8 138.613 -3.029 -14.659 1.00 0.40 O ATOM 826 CB VAL B 8 135.993 -2.810 -16.452 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.106 -4.152 -17.160 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.475 -2.990 -15.031 1.00 0.78 C ATOM 0 H VAL B 8 137.024 -1.809 -18.512 1.00 0.35 H new ATOM 0 HA VAL B 8 137.252 -1.182 -15.807 1.00 0.37 H new ATOM 0 HB VAL B 8 135.275 -2.204 -17.005 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.139 -4.655 -17.143 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.414 -3.993 -18.193 1.00 0.44 H new ATOM 0 HG13 VAL B 8 136.846 -4.770 -16.652 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.524 -3.522 -15.055 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.197 -3.564 -14.450 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.333 -2.013 -14.569 1.00 0.78 H new ATOM 838 N LEU B 9 139.212 -3.626 -16.753 1.00 0.35 N ATOM 839 CA LEU B 9 140.299 -4.496 -16.303 1.00 0.49 C ATOM 840 C LEU B 9 141.332 -3.686 -15.519 1.00 0.52 C ATOM 841 O LEU B 9 141.575 -3.955 -14.342 1.00 0.74 O ATOM 842 CB LEU B 9 140.968 -5.186 -17.499 1.00 0.65 C ATOM 843 CG LEU B 9 140.807 -6.708 -17.550 1.00 0.65 C ATOM 844 CD1 LEU B 9 141.198 -7.240 -18.922 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.641 -7.372 -16.462 1.00 0.76 C ATOM 0 H LEU B 9 139.096 -3.582 -17.765 1.00 0.35 H new ATOM 0 HA LEU B 9 139.880 -5.262 -15.651 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.559 -4.763 -18.417 1.00 0.65 H new ATOM 0 HB3 LEU B 9 142.032 -4.950 -17.485 1.00 0.65 H new ATOM 0 HG LEU B 9 139.759 -6.948 -17.373 1.00 0.65 H new ATOM 0 HD11 LEU B 9 141.077 -8.323 -18.940 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.559 -6.791 -19.682 1.00 0.85 H new ATOM 0 HD13 LEU B 9 142.238 -6.987 -19.127 1.00 0.85 H new ATOM 0 HD21 LEU B 9 141.513 -8.453 -16.515 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.692 -7.123 -16.607 1.00 0.76 H new ATOM 0 HD23 LEU B 9 141.315 -7.015 -15.485 1.00 0.76 H new ATOM 857 N GLN B 10 141.930 -2.690 -16.183 1.00 0.41 N ATOM 858 CA GLN B 10 142.932 -1.826 -15.552 1.00 0.48 C ATOM 859 C GLN B 10 142.403 -1.236 -14.242 1.00 0.42 C ATOM 860 O GLN B 10 143.156 -1.063 -13.283 1.00 0.48 O ATOM 861 CB GLN B 10 143.336 -0.694 -16.504 1.00 0.58 C ATOM 862 CG GLN B 10 144.538 -1.027 -17.375 1.00 0.66 C ATOM 863 CD GLN B 10 145.823 -0.404 -16.861 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.377 -0.843 -15.853 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.304 0.626 -17.551 1.00 0.83 N ATOM 0 H GLN B 10 141.736 -2.463 -17.158 1.00 0.41 H new ATOM 0 HA GLN B 10 143.807 -2.436 -15.328 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.489 -0.452 -17.146 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.558 0.199 -15.919 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.658 -2.109 -17.424 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.352 -0.681 -18.392 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.813 0.958 -18.381 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.164 1.084 -17.250 1.00 0.83 H new ATOM 874 N GLU B 11 141.105 -0.921 -14.214 1.00 0.40 N ATOM 875 CA GLU B 11 140.469 -0.345 -13.028 1.00 0.42 C ATOM 876 C GLU B 11 140.575 -1.264 -11.803 1.00 0.37 C ATOM 877 O GLU B 11 140.504 -0.792 -10.672 1.00 0.54 O ATOM 878 CB GLU B 11 138.994 -0.043 -13.314 1.00 0.48 C ATOM 879 CG GLU B 11 138.764 1.295 -13.999 1.00 0.62 C ATOM 880 CD GLU B 11 137.295 1.572 -14.255 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.783 1.139 -15.309 1.00 1.61 O ATOM 882 OE2 GLU B 11 136.655 2.221 -13.400 1.00 1.53 O ATOM 0 H GLU B 11 140.473 -1.056 -15.003 1.00 0.40 H new ATOM 0 HA GLU B 11 141.002 0.578 -12.797 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.585 -0.836 -13.940 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.440 -0.060 -12.375 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.178 2.092 -13.381 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.304 1.312 -14.946 1.00 0.62 H new ATOM 889 N LEU B 12 140.741 -2.573 -12.023 1.00 0.32 N ATOM 890 CA LEU B 12 140.846 -3.527 -10.918 1.00 0.30 C ATOM 891 C LEU B 12 142.266 -3.576 -10.350 1.00 0.28 C ATOM 892 O LEU B 12 142.447 -3.640 -9.132 1.00 0.36 O ATOM 893 CB LEU B 12 140.414 -4.925 -11.381 1.00 0.32 C ATOM 894 CG LEU B 12 139.772 -5.810 -10.304 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.837 -6.408 -9.395 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.753 -5.022 -9.490 1.00 0.54 C ATOM 0 H LEU B 12 140.805 -2.992 -12.951 1.00 0.32 H new ATOM 0 HA LEU B 12 140.180 -3.190 -10.124 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.707 -4.814 -12.203 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.287 -5.443 -11.779 1.00 0.32 H new ATOM 0 HG LEU B 12 139.249 -6.626 -10.804 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.361 -7.032 -8.638 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.522 -7.015 -9.987 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.391 -5.606 -8.908 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.312 -5.671 -8.733 1.00 0.54 H new ATOM 0 HD22 LEU B 12 139.248 -4.181 -9.004 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.970 -4.650 -10.150 1.00 0.54 H new ATOM 908 N VAL B 13 143.268 -3.529 -11.231 1.00 0.25 N ATOM 909 CA VAL B 13 144.664 -3.550 -10.794 1.00 0.26 C ATOM 910 C VAL B 13 145.033 -2.216 -10.143 1.00 0.22 C ATOM 911 O VAL B 13 145.650 -2.185 -9.077 1.00 0.26 O ATOM 912 CB VAL B 13 145.641 -3.869 -11.956 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.563 -2.821 -13.059 1.00 0.62 C ATOM 914 CG2 VAL B 13 147.068 -4.002 -11.438 1.00 0.52 C ATOM 0 H VAL B 13 143.140 -3.477 -12.242 1.00 0.25 H new ATOM 0 HA VAL B 13 144.762 -4.351 -10.062 1.00 0.26 H new ATOM 0 HB VAL B 13 145.339 -4.823 -12.388 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.261 -3.078 -13.855 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.550 -2.790 -13.461 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.822 -1.844 -12.651 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.737 -4.226 -12.269 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.373 -3.067 -10.968 1.00 0.52 H new ATOM 0 HG23 VAL B 13 147.116 -4.808 -10.706 1.00 0.52 H new ATOM 924 N LYS B 14 144.637 -1.121 -10.793 1.00 0.24 N ATOM 925 CA LYS B 14 144.907 0.220 -10.283 1.00 0.25 C ATOM 926 C LYS B 14 144.340 0.379 -8.873 1.00 0.22 C ATOM 927 O LYS B 14 145.065 0.729 -7.942 1.00 0.29 O ATOM 928 CB LYS B 14 144.310 1.281 -11.215 1.00 0.34 C ATOM 929 CG LYS B 14 144.639 2.708 -10.803 1.00 0.87 C ATOM 930 CD LYS B 14 144.388 3.690 -11.937 1.00 0.75 C ATOM 931 CE LYS B 14 145.366 4.854 -11.893 1.00 0.70 C ATOM 932 NZ LYS B 14 144.858 6.038 -12.642 1.00 0.72 N ATOM 0 H LYS B 14 144.127 -1.139 -11.676 1.00 0.24 H new ATOM 0 HA LYS B 14 145.987 0.360 -10.244 1.00 0.25 H new ATOM 0 HB2 LYS B 14 144.676 1.111 -12.227 1.00 0.34 H new ATOM 0 HB3 LYS B 14 143.227 1.160 -11.243 1.00 0.34 H new ATOM 0 HG2 LYS B 14 144.035 2.986 -9.939 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.683 2.767 -10.494 1.00 0.87 H new ATOM 0 HD2 LYS B 14 144.478 3.174 -12.893 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.368 4.068 -11.873 1.00 0.75 H new ATOM 0 HE2 LYS B 14 145.551 5.133 -10.856 1.00 0.70 H new ATOM 0 HE3 LYS B 14 146.321 4.541 -12.314 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 145.554 6.809 -12.587 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.705 5.780 -13.638 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.959 6.353 -12.225 1.00 0.72 H new ATOM 946 N HIS B 15 143.034 0.133 -8.732 1.00 0.24 N ATOM 947 CA HIS B 15 142.347 0.257 -7.443 1.00 0.27 C ATOM 948 C HIS B 15 143.121 -0.403 -6.305 1.00 0.25 C ATOM 949 O HIS B 15 143.223 0.167 -5.218 1.00 0.45 O ATOM 950 CB HIS B 15 140.940 -0.343 -7.523 1.00 0.33 C ATOM 951 CG HIS B 15 139.938 0.594 -8.114 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.625 0.665 -7.700 1.00 0.85 N ATOM 953 CD2 HIS B 15 140.072 1.510 -9.097 1.00 0.74 C ATOM 954 CE1 HIS B 15 137.994 1.588 -8.405 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.851 2.117 -9.260 1.00 0.76 N ATOM 0 H HIS B 15 142.428 -0.155 -9.500 1.00 0.24 H new ATOM 0 HA HIS B 15 142.280 1.323 -7.225 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.973 -1.254 -8.120 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.616 -0.629 -6.522 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.973 1.725 -9.652 1.00 0.74 H new ATOM 0 HE1 HIS B 15 136.955 1.863 -8.300 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.640 2.855 -9.931 1.00 0.76 H new ATOM 964 N LYS B 16 143.665 -1.600 -6.543 1.00 0.21 N ATOM 965 CA LYS B 16 144.421 -2.314 -5.510 1.00 0.27 C ATOM 966 C LYS B 16 145.775 -1.655 -5.250 1.00 0.36 C ATOM 967 O LYS B 16 146.196 -1.537 -4.099 1.00 0.69 O ATOM 968 CB LYS B 16 144.628 -3.775 -5.917 1.00 0.35 C ATOM 969 CG LYS B 16 143.384 -4.637 -5.755 1.00 0.46 C ATOM 970 CD LYS B 16 143.309 -5.715 -6.826 1.00 0.49 C ATOM 971 CE LYS B 16 144.120 -6.945 -6.445 1.00 0.53 C ATOM 972 NZ LYS B 16 145.464 -6.951 -7.090 1.00 0.61 N ATOM 0 H LYS B 16 143.597 -2.092 -7.434 1.00 0.21 H new ATOM 0 HA LYS B 16 143.839 -2.272 -4.589 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.951 -3.811 -6.957 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.434 -4.199 -5.318 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.388 -5.102 -4.769 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.495 -4.008 -5.807 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.269 -6.000 -6.983 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.677 -5.315 -7.771 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.238 -6.980 -5.362 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.575 -7.843 -6.736 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.983 -7.806 -6.804 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.353 -6.944 -8.124 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 145.995 -6.108 -6.793 1.00 0.61 H new ATOM 986 N GLU B 17 146.454 -1.229 -6.322 1.00 0.30 N ATOM 987 CA GLU B 17 147.763 -0.579 -6.195 1.00 0.38 C ATOM 988 C GLU B 17 147.683 0.628 -5.253 1.00 0.32 C ATOM 989 O GLU B 17 148.630 0.910 -4.517 1.00 0.40 O ATOM 990 CB GLU B 17 148.297 -0.161 -7.577 1.00 0.51 C ATOM 991 CG GLU B 17 148.149 1.323 -7.889 1.00 0.80 C ATOM 992 CD GLU B 17 148.706 1.693 -9.250 1.00 1.10 C ATOM 993 OE1 GLU B 17 148.050 1.383 -10.266 1.00 1.47 O ATOM 994 OE2 GLU B 17 149.799 2.295 -9.299 1.00 1.49 O ATOM 0 H GLU B 17 146.121 -1.322 -7.282 1.00 0.30 H new ATOM 0 HA GLU B 17 148.460 -1.297 -5.763 1.00 0.38 H new ATOM 0 HB2 GLU B 17 149.351 -0.430 -7.641 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.775 -0.734 -8.343 1.00 0.51 H new ATOM 0 HG2 GLU B 17 147.095 1.596 -7.846 1.00 0.80 H new ATOM 0 HG3 GLU B 17 148.660 1.904 -7.121 1.00 0.80 H new ATOM 1001 N LEU B 18 146.540 1.320 -5.271 1.00 0.32 N ATOM 1002 CA LEU B 18 146.323 2.481 -4.407 1.00 0.34 C ATOM 1003 C LEU B 18 146.114 2.049 -2.953 1.00 0.35 C ATOM 1004 O LEU B 18 146.447 2.789 -2.027 1.00 0.66 O ATOM 1005 CB LEU B 18 145.120 3.294 -4.893 1.00 0.51 C ATOM 1006 CG LEU B 18 145.363 4.110 -6.165 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.047 4.417 -6.864 1.00 0.81 C ATOM 1008 CD2 LEU B 18 146.111 5.396 -5.839 1.00 0.75 C ATOM 0 H LEU B 18 145.750 1.095 -5.876 1.00 0.32 H new ATOM 0 HA LEU B 18 147.214 3.108 -4.455 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.288 2.613 -5.070 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.813 3.972 -4.097 1.00 0.51 H new ATOM 0 HG LEU B 18 145.978 3.517 -6.842 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.241 4.998 -7.766 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.551 3.484 -7.133 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.405 4.990 -6.195 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.275 5.964 -6.755 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.522 5.993 -5.143 1.00 0.75 H new ATOM 0 HD23 LEU B 18 147.072 5.153 -5.386 1.00 0.75 H new ATOM 1020 N LEU B 19 145.589 0.833 -2.761 1.00 0.45 N ATOM 1021 CA LEU B 19 145.367 0.288 -1.421 1.00 0.47 C ATOM 1022 C LEU B 19 146.675 -0.259 -0.845 1.00 0.33 C ATOM 1023 O LEU B 19 146.883 -0.243 0.370 1.00 0.45 O ATOM 1024 CB LEU B 19 144.311 -0.821 -1.462 1.00 0.63 C ATOM 1025 CG LEU B 19 142.984 -0.480 -0.779 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.853 -1.318 -1.359 1.00 0.95 C ATOM 1027 CD2 LEU B 19 143.090 -0.687 0.727 1.00 0.96 C ATOM 0 H LEU B 19 145.311 0.209 -3.519 1.00 0.45 H new ATOM 0 HA LEU B 19 145.007 1.092 -0.779 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.111 -1.073 -2.504 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.725 -1.713 -0.992 1.00 0.63 H new ATOM 0 HG LEU B 19 142.760 0.570 -0.965 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.918 -1.062 -0.861 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.762 -1.118 -2.427 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.068 -2.375 -1.205 1.00 0.95 H new ATOM 0 HD21 LEU B 19 142.138 -0.440 1.196 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.337 -1.728 0.935 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.871 -0.041 1.129 1.00 0.96 H new ATOM 1039 N ARG B 20 147.560 -0.720 -1.733 1.00 0.35 N ATOM 1040 CA ARG B 20 148.857 -1.247 -1.323 1.00 0.49 C ATOM 1041 C ARG B 20 149.763 -0.098 -0.896 1.00 0.40 C ATOM 1042 O ARG B 20 150.225 -0.051 0.245 1.00 0.49 O ATOM 1043 CB ARG B 20 149.506 -2.044 -2.459 1.00 0.76 C ATOM 1044 CG ARG B 20 150.294 -3.251 -1.977 1.00 0.85 C ATOM 1045 CD ARG B 20 150.707 -4.151 -3.131 1.00 0.96 C ATOM 1046 NE ARG B 20 150.202 -5.515 -2.971 1.00 1.06 N ATOM 1047 CZ ARG B 20 149.014 -5.936 -3.418 1.00 1.13 C ATOM 1048 NH1 ARG B 20 148.189 -5.101 -4.047 1.00 1.68 N ATOM 1049 NH2 ARG B 20 148.648 -7.200 -3.232 1.00 1.59 N ATOM 0 H ARG B 20 147.398 -0.737 -2.740 1.00 0.35 H new ATOM 0 HA ARG B 20 148.711 -1.922 -0.480 1.00 0.49 H new ATOM 0 HB2 ARG B 20 148.730 -2.378 -3.148 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.170 -1.387 -3.021 1.00 0.76 H new ATOM 0 HG2 ARG B 20 151.182 -2.915 -1.441 1.00 0.85 H new ATOM 0 HG3 ARG B 20 149.691 -3.820 -1.269 1.00 0.85 H new ATOM 0 HD2 ARG B 20 150.335 -3.734 -4.067 1.00 0.96 H new ATOM 0 HD3 ARG B 20 151.794 -4.173 -3.202 1.00 0.96 H new ATOM 0 HE ARG B 20 150.795 -6.189 -2.487 1.00 1.06 H new ATOM 0 HH11 ARG B 20 148.461 -4.129 -4.192 1.00 1.68 H new ATOM 0 HH12 ARG B 20 147.285 -5.434 -4.383 1.00 1.68 H new ATOM 0 HH21 ARG B 20 149.273 -7.846 -2.749 1.00 1.59 H new ATOM 0 HH22 ARG B 20 147.742 -7.524 -3.572 1.00 1.59 H new ATOM 1063 N ARG B 21 150.001 0.832 -1.826 1.00 0.35 N ATOM 1064 CA ARG B 21 150.840 1.999 -1.559 1.00 0.35 C ATOM 1065 C ARG B 21 150.390 2.712 -0.285 1.00 0.34 C ATOM 1066 O ARG B 21 151.215 3.065 0.557 1.00 0.47 O ATOM 1067 CB ARG B 21 150.797 2.971 -2.742 1.00 0.45 C ATOM 1068 CG ARG B 21 152.165 3.269 -3.330 1.00 0.70 C ATOM 1069 CD ARG B 21 152.071 4.239 -4.497 1.00 0.98 C ATOM 1070 NE ARG B 21 152.863 5.448 -4.274 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.962 6.448 -5.153 1.00 1.25 C ATOM 1072 NH1 ARG B 21 152.324 6.389 -6.319 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.703 7.512 -4.864 1.00 1.53 N ATOM 0 H ARG B 21 149.622 0.797 -2.772 1.00 0.35 H new ATOM 0 HA ARG B 21 151.864 1.653 -1.421 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.158 2.555 -3.521 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.338 3.905 -2.418 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.810 3.688 -2.558 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.629 2.341 -3.664 1.00 0.70 H new ATOM 0 HD2 ARG B 21 152.413 3.745 -5.407 1.00 0.98 H new ATOM 0 HD3 ARG B 21 151.028 4.514 -4.656 1.00 0.98 H new ATOM 0 HE ARG B 21 153.371 5.532 -3.393 1.00 0.97 H new ATOM 0 HH11 ARG B 21 151.753 5.575 -6.548 1.00 2.12 H new ATOM 0 HH12 ARG B 21 152.405 7.158 -6.984 1.00 2.12 H new ATOM 0 HH21 ARG B 21 154.195 7.564 -3.972 1.00 1.53 H new ATOM 0 HH22 ARG B 21 153.780 8.277 -5.534 1.00 1.53 H new ATOM 1087 N LYS B 22 149.075 2.919 -0.156 1.00 0.30 N ATOM 1088 CA LYS B 22 148.500 3.589 1.013 1.00 0.36 C ATOM 1089 C LYS B 22 149.023 2.993 2.323 1.00 0.31 C ATOM 1090 O LYS B 22 149.296 3.726 3.276 1.00 0.36 O ATOM 1091 CB LYS B 22 146.972 3.495 0.976 1.00 0.47 C ATOM 1092 CG LYS B 22 146.286 4.266 2.092 1.00 0.69 C ATOM 1093 CD LYS B 22 144.786 4.364 1.863 1.00 0.86 C ATOM 1094 CE LYS B 22 144.010 3.519 2.863 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.190 4.357 3.783 1.00 0.70 N ATOM 0 H LYS B 22 148.387 2.630 -0.851 1.00 0.30 H new ATOM 0 HA LYS B 22 148.804 4.635 0.975 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.617 3.869 0.016 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.680 2.447 1.037 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.478 3.775 3.046 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.711 5.268 2.158 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.472 5.405 1.944 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.550 4.038 0.850 1.00 0.86 H new ATOM 0 HE2 LYS B 22 143.360 2.827 2.327 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.706 2.916 3.446 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.678 3.743 4.448 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 143.812 5.000 4.314 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.508 4.914 3.230 1.00 0.70 H new ATOM 1109 N ASP B 23 149.175 1.667 2.362 1.00 0.32 N ATOM 1110 CA ASP B 23 149.680 0.984 3.554 1.00 0.32 C ATOM 1111 C ASP B 23 151.200 1.111 3.650 1.00 0.30 C ATOM 1112 O ASP B 23 151.745 1.298 4.736 1.00 0.37 O ATOM 1113 CB ASP B 23 149.277 -0.493 3.533 1.00 0.36 C ATOM 1114 CG ASP B 23 147.877 -0.719 4.071 1.00 0.75 C ATOM 1115 OD1 ASP B 23 146.911 -0.573 3.293 1.00 1.15 O ATOM 1116 OD2 ASP B 23 147.747 -1.041 5.270 1.00 1.11 O ATOM 0 H ASP B 23 148.956 1.046 1.583 1.00 0.32 H new ATOM 0 HA ASP B 23 149.238 1.459 4.430 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.335 -0.868 2.511 1.00 0.36 H new ATOM 0 HB3 ASP B 23 149.988 -1.069 4.125 1.00 0.36 H new ATOM 1121 N THR B 24 151.876 1.012 2.504 1.00 0.28 N ATOM 1122 CA THR B 24 153.335 1.125 2.452 1.00 0.29 C ATOM 1123 C THR B 24 153.797 2.540 2.834 1.00 0.27 C ATOM 1124 O THR B 24 154.930 2.728 3.276 1.00 0.32 O ATOM 1125 CB THR B 24 153.842 0.765 1.050 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.275 -0.458 0.607 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.349 0.628 0.969 1.00 0.55 C ATOM 0 H THR B 24 151.436 0.854 1.598 1.00 0.28 H new ATOM 0 HA THR B 24 153.754 0.426 3.175 1.00 0.29 H new ATOM 0 HB THR B 24 153.536 1.596 0.415 1.00 0.32 H new ATOM 0 HG1 THR B 24 152.345 -0.308 0.337 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.637 0.372 -0.051 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.816 1.571 1.252 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.680 -0.159 1.647 1.00 0.55 H new ATOM 1135 N HIS B 25 152.903 3.522 2.674 1.00 0.26 N ATOM 1136 CA HIS B 25 153.213 4.910 3.015 1.00 0.29 C ATOM 1137 C HIS B 25 153.206 5.099 4.528 1.00 0.31 C ATOM 1138 O HIS B 25 154.199 5.539 5.105 1.00 0.41 O ATOM 1139 CB HIS B 25 152.219 5.869 2.353 1.00 0.34 C ATOM 1140 CG HIS B 25 152.831 7.168 1.922 1.00 0.34 C ATOM 1141 ND1 HIS B 25 153.873 7.773 2.594 1.00 0.86 N ATOM 1142 CD2 HIS B 25 152.540 7.979 0.877 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.195 8.899 1.982 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.402 9.046 0.938 1.00 0.74 N ATOM 0 H HIS B 25 151.961 3.379 2.311 1.00 0.26 H new ATOM 0 HA HIS B 25 154.210 5.139 2.638 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.778 5.379 1.485 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.406 6.074 3.050 1.00 0.34 H new ATOM 0 HD2 HIS B 25 151.773 7.817 0.134 1.00 0.94 H new ATOM 0 HE1 HIS B 25 154.974 9.582 2.285 1.00 0.72 H new ATOM 0 HE2 HIS B 25 153.425 9.827 0.282 1.00 0.74 H new ATOM 1153 N ILE B 26 152.093 4.740 5.172 1.00 0.29 N ATOM 1154 CA ILE B 26 151.990 4.848 6.628 1.00 0.35 C ATOM 1155 C ILE B 26 153.007 3.917 7.296 1.00 0.35 C ATOM 1156 O ILE B 26 153.506 4.201 8.386 1.00 0.47 O ATOM 1157 CB ILE B 26 150.566 4.517 7.141 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.054 3.202 6.542 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.611 5.658 6.816 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.861 2.103 7.565 1.00 0.68 C ATOM 0 H ILE B 26 151.258 4.375 4.713 1.00 0.29 H new ATOM 0 HA ILE B 26 152.204 5.884 6.891 1.00 0.35 H new ATOM 0 HB ILE B 26 150.615 4.395 8.223 1.00 0.41 H new ATOM 0 HG12 ILE B 26 149.106 3.387 6.037 1.00 0.40 H new ATOM 0 HG13 ILE B 26 150.758 2.860 5.783 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.614 5.413 7.182 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.959 6.572 7.297 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.575 5.806 5.737 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.497 1.203 7.068 1.00 0.68 H new ATOM 0 HD12 ILE B 26 150.812 1.889 8.053 1.00 0.68 H new ATOM 0 HD13 ILE B 26 149.135 2.424 8.311 1.00 0.68 H new ATOM 1172 N ARG B 27 153.321 2.814 6.609 1.00 0.31 N ATOM 1173 CA ARG B 27 154.293 1.840 7.097 1.00 0.37 C ATOM 1174 C ARG B 27 155.710 2.414 7.022 1.00 0.34 C ATOM 1175 O ARG B 27 156.501 2.248 7.953 1.00 0.39 O ATOM 1176 CB ARG B 27 154.207 0.544 6.284 1.00 0.46 C ATOM 1177 CG ARG B 27 155.024 -0.600 6.866 1.00 0.53 C ATOM 1178 CD ARG B 27 156.226 -0.929 5.992 1.00 0.80 C ATOM 1179 NE ARG B 27 157.393 -1.322 6.783 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.501 -1.858 6.265 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.603 -2.069 4.955 1.00 1.21 N ATOM 1182 NH2 ARG B 27 159.513 -2.183 7.063 1.00 1.67 N ATOM 0 H ARG B 27 152.910 2.575 5.706 1.00 0.31 H new ATOM 0 HA ARG B 27 154.061 1.616 8.138 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.164 0.236 6.218 1.00 0.46 H new ATOM 0 HB3 ARG B 27 154.547 0.740 5.267 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.363 -0.334 7.867 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.394 -1.484 6.967 1.00 0.53 H new ATOM 0 HD2 ARG B 27 155.965 -1.736 5.307 1.00 0.80 H new ATOM 0 HD3 ARG B 27 156.478 -0.062 5.382 1.00 0.80 H new ATOM 0 HE ARG B 27 157.358 -1.178 7.792 1.00 0.90 H new ATOM 0 HH11 ARG B 27 157.831 -1.821 4.337 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.454 -2.479 4.569 1.00 1.21 H new ATOM 0 HH21 ARG B 27 159.442 -2.023 8.068 1.00 1.67 H new ATOM 0 HH22 ARG B 27 160.361 -2.593 6.671 1.00 1.67 H new ATOM 1196 N GLU B 28 156.021 3.097 5.914 1.00 0.33 N ATOM 1197 CA GLU B 28 157.341 3.702 5.730 1.00 0.36 C ATOM 1198 C GLU B 28 157.508 4.933 6.625 1.00 0.35 C ATOM 1199 O GLU B 28 158.597 5.188 7.141 1.00 0.44 O ATOM 1200 CB GLU B 28 157.581 4.062 4.253 1.00 0.47 C ATOM 1201 CG GLU B 28 157.062 5.434 3.836 1.00 0.78 C ATOM 1202 CD GLU B 28 158.089 6.538 4.020 1.00 1.17 C ATOM 1203 OE1 GLU B 28 159.187 6.436 3.432 1.00 1.62 O ATOM 1204 OE2 GLU B 28 157.794 7.507 4.751 1.00 1.79 O ATOM 0 H GLU B 28 155.378 3.243 5.136 1.00 0.33 H new ATOM 0 HA GLU B 28 158.090 2.967 6.024 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.651 4.018 4.052 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.108 3.305 3.628 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.758 5.399 2.790 1.00 0.78 H new ATOM 0 HG3 GLU B 28 156.172 5.672 4.419 1.00 0.78 H new ATOM 1211 N LEU B 29 156.418 5.685 6.810 1.00 0.33 N ATOM 1212 CA LEU B 29 156.436 6.883 7.648 1.00 0.38 C ATOM 1213 C LEU B 29 156.657 6.530 9.121 1.00 0.42 C ATOM 1214 O LEU B 29 157.156 7.353 9.888 1.00 0.79 O ATOM 1215 CB LEU B 29 155.128 7.664 7.495 1.00 0.46 C ATOM 1216 CG LEU B 29 155.291 9.124 7.064 1.00 0.47 C ATOM 1217 CD1 LEU B 29 154.933 9.290 5.594 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.433 10.037 7.931 1.00 0.59 C ATOM 0 H LEU B 29 155.511 5.482 6.389 1.00 0.33 H new ATOM 0 HA LEU B 29 157.267 7.504 7.315 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.501 7.153 6.764 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.595 7.639 8.445 1.00 0.46 H new ATOM 0 HG LEU B 29 156.335 9.407 7.197 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.055 10.334 5.306 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.590 8.667 4.987 1.00 0.82 H new ATOM 0 HD13 LEU B 29 153.898 8.988 5.435 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.562 11.071 7.610 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.385 9.754 7.831 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.737 9.940 8.973 1.00 0.59 H new ATOM 1230 N GLU B 30 156.313 5.296 9.505 1.00 0.43 N ATOM 1231 CA GLU B 30 156.503 4.839 10.881 1.00 0.45 C ATOM 1232 C GLU B 30 157.993 4.710 11.200 1.00 0.44 C ATOM 1233 O GLU B 30 158.412 4.924 12.339 1.00 0.58 O ATOM 1234 CB GLU B 30 155.801 3.496 11.100 1.00 0.51 C ATOM 1235 CG GLU B 30 154.346 3.632 11.521 1.00 0.58 C ATOM 1236 CD GLU B 30 153.785 2.348 12.101 1.00 0.93 C ATOM 1237 OE1 GLU B 30 153.276 1.517 11.319 1.00 1.26 O ATOM 1238 OE2 GLU B 30 153.856 2.174 13.336 1.00 1.35 O ATOM 0 H GLU B 30 155.903 4.600 8.883 1.00 0.43 H new ATOM 0 HA GLU B 30 156.064 5.578 11.552 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.851 2.915 10.179 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.340 2.934 11.862 1.00 0.51 H new ATOM 0 HG2 GLU B 30 154.258 4.429 12.259 1.00 0.58 H new ATOM 0 HG3 GLU B 30 153.748 3.929 10.659 1.00 0.58 H new ATOM 1245 N ASP B 31 158.789 4.379 10.178 1.00 0.41 N ATOM 1246 CA ASP B 31 160.235 4.242 10.334 1.00 0.55 C ATOM 1247 C ASP B 31 160.882 5.617 10.492 1.00 0.57 C ATOM 1248 O ASP B 31 161.786 5.797 11.310 1.00 0.76 O ATOM 1249 CB ASP B 31 160.836 3.514 9.127 1.00 0.69 C ATOM 1250 CG ASP B 31 160.466 2.043 9.094 1.00 1.28 C ATOM 1251 OD1 ASP B 31 159.413 1.708 8.511 1.00 1.74 O ATOM 1252 OD2 ASP B 31 161.229 1.227 9.653 1.00 1.66 O ATOM 0 H ASP B 31 158.452 4.201 9.232 1.00 0.41 H new ATOM 0 HA ASP B 31 160.432 3.654 11.230 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.493 3.993 8.210 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.921 3.612 9.151 1.00 0.69 H new ATOM 1257 N TYR B 32 160.398 6.586 9.709 1.00 0.49 N ATOM 1258 CA TYR B 32 160.908 7.955 9.763 1.00 0.56 C ATOM 1259 C TYR B 32 160.533 8.617 11.089 1.00 0.56 C ATOM 1260 O TYR B 32 161.343 9.321 11.693 1.00 0.67 O ATOM 1261 CB TYR B 32 160.351 8.781 8.597 1.00 0.60 C ATOM 1262 CG TYR B 32 161.361 9.062 7.506 1.00 0.69 C ATOM 1263 CD1 TYR B 32 162.545 9.734 7.784 1.00 1.15 C ATOM 1264 CD2 TYR B 32 161.127 8.659 6.197 1.00 0.96 C ATOM 1265 CE1 TYR B 32 163.467 9.995 6.788 1.00 1.37 C ATOM 1266 CE2 TYR B 32 162.044 8.916 5.196 1.00 1.17 C ATOM 1267 CZ TYR B 32 163.212 9.585 5.497 1.00 1.21 C ATOM 1268 OH TYR B 32 164.128 9.845 4.502 1.00 1.53 O ATOM 0 H TYR B 32 159.651 6.444 9.029 1.00 0.49 H new ATOM 0 HA TYR B 32 161.994 7.915 9.683 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.501 8.253 8.164 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.975 9.728 8.983 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.748 10.057 8.794 1.00 1.15 H new ATOM 0 HD2 TYR B 32 160.213 8.136 5.958 1.00 0.96 H new ATOM 0 HE1 TYR B 32 164.383 10.518 7.020 1.00 1.37 H new ATOM 0 HE2 TYR B 32 161.847 8.595 4.184 1.00 1.17 H new ATOM 0 HH TYR B 32 163.797 9.489 3.651 1.00 1.53 H new ATOM 1278 N ILE B 33 159.296 8.378 11.533 1.00 0.54 N ATOM 1279 CA ILE B 33 158.798 8.941 12.786 1.00 0.64 C ATOM 1280 C ILE B 33 159.426 8.253 14.005 1.00 0.58 C ATOM 1281 O ILE B 33 159.480 8.839 15.088 1.00 0.78 O ATOM 1282 CB ILE B 33 157.256 8.834 12.876 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.597 9.654 11.763 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.758 9.296 14.241 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.183 9.217 11.444 1.00 0.87 C ATOM 0 H ILE B 33 158.620 7.795 11.039 1.00 0.54 H new ATOM 0 HA ILE B 33 159.084 9.993 12.792 1.00 0.64 H new ATOM 0 HB ILE B 33 156.980 7.787 12.749 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.587 10.704 12.054 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.204 9.580 10.861 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.672 9.212 14.280 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.198 8.673 15.019 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.047 10.335 14.401 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.780 9.842 10.647 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.188 8.176 11.121 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.561 9.318 12.334 1.00 0.87 H new ATOM 1297 N ASP B 34 159.901 7.013 13.830 1.00 0.46 N ATOM 1298 CA ASP B 34 160.520 6.263 14.925 1.00 0.50 C ATOM 1299 C ASP B 34 161.751 6.981 15.479 1.00 0.40 C ATOM 1300 O ASP B 34 162.051 6.856 16.659 1.00 0.45 O ATOM 1301 CB ASP B 34 160.907 4.857 14.460 1.00 0.69 C ATOM 1302 CG ASP B 34 160.184 3.773 15.237 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.598 3.486 16.381 1.00 1.34 O ATOM 1304 OD2 ASP B 34 159.205 3.212 14.703 1.00 1.46 O ATOM 0 H ASP B 34 159.868 6.511 12.943 1.00 0.46 H new ATOM 0 HA ASP B 34 159.783 6.190 15.725 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.680 4.753 13.399 1.00 0.69 H new ATOM 0 HB3 ASP B 34 161.983 4.724 14.571 1.00 0.69 H new ATOM 1309 N ASN B 35 162.463 7.717 14.619 1.00 0.52 N ATOM 1310 CA ASN B 35 163.669 8.454 15.018 1.00 0.58 C ATOM 1311 C ASN B 35 163.513 9.082 16.406 1.00 0.49 C ATOM 1312 O ASN B 35 164.435 9.028 17.223 1.00 0.61 O ATOM 1313 CB ASN B 35 163.989 9.540 13.986 1.00 0.78 C ATOM 1314 CG ASN B 35 164.830 9.013 12.837 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.059 9.072 12.876 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.173 8.492 11.805 1.00 1.31 N ATOM 0 H ASN B 35 162.223 7.819 13.633 1.00 0.52 H new ATOM 0 HA ASN B 35 164.493 7.742 15.063 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.059 9.951 13.594 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.518 10.358 14.475 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.689 8.122 11.006 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.153 8.462 11.812 1.00 1.31 H new ATOM 1323 N LEU B 36 162.337 9.657 16.674 1.00 0.44 N ATOM 1324 CA LEU B 36 162.058 10.272 17.973 1.00 0.51 C ATOM 1325 C LEU B 36 162.128 9.218 19.081 1.00 0.47 C ATOM 1326 O LEU B 36 162.798 9.414 20.096 1.00 0.59 O ATOM 1327 CB LEU B 36 160.677 10.940 17.971 1.00 0.71 C ATOM 1328 CG LEU B 36 160.407 11.882 16.793 1.00 0.83 C ATOM 1329 CD1 LEU B 36 158.913 12.113 16.626 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.137 13.205 16.986 1.00 1.64 C ATOM 0 H LEU B 36 161.565 9.709 16.010 1.00 0.44 H new ATOM 0 HA LEU B 36 162.812 11.037 18.160 1.00 0.51 H new ATOM 0 HB2 LEU B 36 159.915 10.161 17.974 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.562 11.502 18.898 1.00 0.71 H new ATOM 0 HG LEU B 36 160.785 11.413 15.885 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.740 12.784 15.785 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.416 11.161 16.438 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.510 12.559 17.535 1.00 1.00 H new ATOM 0 HD21 LEU B 36 160.933 13.860 16.139 1.00 1.64 H new ATOM 0 HD22 LEU B 36 160.792 13.680 17.904 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.210 13.022 17.053 1.00 1.64 H new ATOM 1342 N LEU B 37 161.447 8.092 18.860 1.00 0.41 N ATOM 1343 CA LEU B 37 161.435 6.981 19.812 1.00 0.48 C ATOM 1344 C LEU B 37 162.101 5.750 19.188 1.00 0.41 C ATOM 1345 O LEU B 37 161.473 4.700 19.030 1.00 0.54 O ATOM 1346 CB LEU B 37 159.994 6.656 20.230 1.00 0.65 C ATOM 1347 CG LEU B 37 159.018 6.404 19.073 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.063 5.268 19.415 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.245 7.673 18.738 1.00 0.69 C ATOM 0 H LEU B 37 160.891 7.925 18.021 1.00 0.41 H new ATOM 0 HA LEU B 37 161.996 7.270 20.701 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.009 5.774 20.870 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.613 7.481 20.832 1.00 0.65 H new ATOM 0 HG LEU B 37 159.595 6.113 18.195 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.379 5.105 18.582 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.633 4.357 19.601 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.493 5.528 20.307 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.558 7.474 17.915 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.680 7.996 19.612 1.00 0.69 H new ATOM 0 HD23 LEU B 37 158.943 8.458 18.446 1.00 0.69 H new ATOM 1361 N VAL B 38 163.374 5.898 18.814 1.00 0.36 N ATOM 1362 CA VAL B 38 164.127 4.824 18.171 1.00 0.49 C ATOM 1363 C VAL B 38 163.976 3.508 18.919 1.00 0.67 C ATOM 1364 O VAL B 38 164.385 3.388 20.072 1.00 1.35 O ATOM 1365 CB VAL B 38 165.629 5.170 18.054 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.416 3.994 17.484 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.827 6.412 17.198 1.00 0.89 C ATOM 0 H VAL B 38 163.906 6.758 18.948 1.00 0.36 H new ATOM 0 HA VAL B 38 163.710 4.714 17.170 1.00 0.49 H new ATOM 0 HB VAL B 38 166.008 5.377 19.055 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.470 4.262 17.411 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.306 3.130 18.140 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.035 3.748 16.493 1.00 1.31 H new ATOM 0 HG21 VAL B 38 166.891 6.640 17.127 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.427 6.233 16.200 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.305 7.254 17.653 1.00 0.89 H new ATOM 1377 N ARG B 39 163.293 2.568 18.260 1.00 0.54 N ATOM 1378 CA ARG B 39 162.960 1.269 18.847 1.00 0.62 C ATOM 1379 C ARG B 39 164.148 0.639 19.576 1.00 0.51 C ATOM 1380 O ARG B 39 164.918 -0.142 19.015 1.00 0.63 O ATOM 1381 CB ARG B 39 162.462 0.315 17.752 1.00 0.93 C ATOM 1382 CG ARG B 39 161.980 -1.035 18.274 1.00 1.15 C ATOM 1383 CD ARG B 39 162.986 -2.147 17.993 1.00 1.41 C ATOM 1384 NE ARG B 39 162.835 -2.710 16.650 1.00 1.58 N ATOM 1385 CZ ARG B 39 163.744 -3.494 16.061 1.00 1.77 C ATOM 1386 NH1 ARG B 39 164.874 -3.809 16.690 1.00 2.06 N ATOM 1387 NH2 ARG B 39 163.525 -3.966 14.839 1.00 2.18 N ATOM 0 H ARG B 39 162.956 2.687 17.305 1.00 0.54 H new ATOM 0 HA ARG B 39 162.175 1.438 19.584 1.00 0.62 H new ATOM 0 HB2 ARG B 39 161.647 0.795 17.210 1.00 0.93 H new ATOM 0 HB3 ARG B 39 163.267 0.149 17.036 1.00 0.93 H new ATOM 0 HG2 ARG B 39 161.805 -0.967 19.348 1.00 1.15 H new ATOM 0 HG3 ARG B 39 161.025 -1.284 17.810 1.00 1.15 H new ATOM 0 HD2 ARG B 39 163.997 -1.756 18.109 1.00 1.41 H new ATOM 0 HD3 ARG B 39 162.864 -2.939 18.732 1.00 1.41 H new ATOM 0 HE ARG B 39 161.984 -2.491 16.132 1.00 1.58 H new ATOM 0 HH11 ARG B 39 165.052 -3.452 17.629 1.00 2.06 H new ATOM 0 HH12 ARG B 39 165.562 -4.408 16.233 1.00 2.06 H new ATOM 0 HH21 ARG B 39 162.662 -3.731 14.348 1.00 2.18 H new ATOM 0 HH22 ARG B 39 164.220 -4.564 14.391 1.00 2.18 H new ATOM 1401 N VAL B 40 164.256 1.001 20.855 1.00 0.43 N ATOM 1402 CA VAL B 40 165.302 0.504 21.745 1.00 0.56 C ATOM 1403 C VAL B 40 164.741 0.388 23.167 1.00 0.71 C ATOM 1404 O VAL B 40 165.221 1.036 24.100 1.00 1.15 O ATOM 1405 CB VAL B 40 166.545 1.424 21.747 1.00 0.60 C ATOM 1406 CG1 VAL B 40 167.622 0.874 22.674 1.00 1.04 C ATOM 1407 CG2 VAL B 40 167.093 1.594 20.338 1.00 0.65 C ATOM 0 H VAL B 40 163.613 1.653 21.305 1.00 0.43 H new ATOM 0 HA VAL B 40 165.619 -0.474 21.382 1.00 0.56 H new ATOM 0 HB VAL B 40 166.240 2.403 22.117 1.00 0.60 H new ATOM 0 HG11 VAL B 40 168.487 1.537 22.660 1.00 1.04 H new ATOM 0 HG12 VAL B 40 167.230 0.810 23.689 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.920 -0.119 22.337 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.967 2.245 20.364 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.377 0.621 19.938 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.328 2.039 19.701 1.00 0.65 H new ATOM 1417 N MET B 41 163.700 -0.433 23.312 1.00 0.60 N ATOM 1418 CA MET B 41 163.043 -0.634 24.604 1.00 0.74 C ATOM 1419 C MET B 41 163.595 -1.872 25.311 1.00 0.91 C ATOM 1420 O MET B 41 163.593 -2.959 24.694 1.00 0.91 O ATOM 1421 CB MET B 41 161.523 -0.765 24.419 1.00 0.73 C ATOM 1422 CG MET B 41 160.946 0.162 23.356 1.00 0.74 C ATOM 1423 SD MET B 41 160.613 -0.687 21.799 1.00 0.86 S ATOM 1424 CE MET B 41 159.814 0.614 20.861 1.00 0.70 C ATOM 1425 OXT MET B 41 164.027 -1.742 26.475 1.00 1.13 O ATOM 0 H MET B 41 163.293 -0.971 22.547 1.00 0.60 H new ATOM 0 HA MET B 41 163.249 0.237 25.226 1.00 0.74 H new ATOM 0 HB2 MET B 41 161.287 -1.796 24.154 1.00 0.73 H new ATOM 0 HB3 MET B 41 161.032 -0.560 25.370 1.00 0.73 H new ATOM 0 HG2 MET B 41 160.022 0.605 23.728 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.643 0.981 23.177 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.836 0.364 19.800 1.00 0.70 H new ATOM 0 HE2 MET B 41 158.779 0.716 21.189 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.340 1.555 21.023 1.00 0.70 H new