USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=12 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 -100:sc= 0.0626 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.019) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0284) USER MOD Single : A 24 THR OG1 : rot 67:sc= 0.0557 USER MOD Single : A 25 HIS : no HD1:sc=-0.00213 X(o=-0.0021,f=-0.39) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,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 K(o=0,f=-0.97) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.015) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0412) USER MOD Single : B 24 THR OG1 : rot 68:sc= 0.0571 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.39) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.943 -18.440 -19.056 1.00 0.77 N ATOM 2 CA GLY A 1 131.490 -18.112 -19.031 1.00 0.81 C ATOM 3 C GLY A 1 131.190 -16.878 -18.204 1.00 0.65 C ATOM 4 O GLY A 1 130.997 -15.792 -18.752 1.00 0.70 O ATOM 0 H1 GLY A 1 133.097 -19.291 -19.634 1.00 0.77 H new ATOM 0 H2 GLY A 1 133.472 -17.643 -19.465 1.00 0.77 H new ATOM 0 H3 GLY A 1 133.276 -18.615 -18.086 1.00 0.77 H new ATOM 0 HA2 GLY A 1 131.138 -17.957 -20.051 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.936 -18.960 -18.628 1.00 0.81 H new ATOM 10 N SER A 2 131.157 -17.044 -16.881 1.00 0.55 N ATOM 11 CA SER A 2 130.885 -15.928 -15.975 1.00 0.48 C ATOM 12 C SER A 2 132.173 -15.218 -15.545 1.00 0.47 C ATOM 13 O SER A 2 132.118 -14.235 -14.804 1.00 0.71 O ATOM 14 CB SER A 2 130.107 -16.410 -14.747 1.00 0.54 C ATOM 15 OG SER A 2 128.781 -16.777 -15.095 1.00 0.67 O ATOM 0 H SER A 2 131.315 -17.937 -16.415 1.00 0.55 H new ATOM 0 HA SER A 2 130.276 -15.206 -16.519 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.618 -17.263 -14.300 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.084 -15.622 -13.995 1.00 0.54 H new ATOM 0 HG SER A 2 128.305 -17.083 -14.295 1.00 0.67 H new ATOM 21 N LEU A 3 133.328 -15.688 -16.039 1.00 0.38 N ATOM 22 CA LEU A 3 134.610 -15.055 -15.725 1.00 0.43 C ATOM 23 C LEU A 3 134.925 -13.990 -16.780 1.00 0.53 C ATOM 24 O LEU A 3 136.055 -13.873 -17.256 1.00 0.88 O ATOM 25 CB LEU A 3 135.747 -16.091 -15.646 1.00 0.48 C ATOM 26 CG LEU A 3 135.662 -17.260 -16.637 1.00 0.85 C ATOM 27 CD1 LEU A 3 137.048 -17.641 -17.138 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.982 -18.460 -15.994 1.00 1.42 C ATOM 0 H LEU A 3 133.397 -16.499 -16.653 1.00 0.38 H new ATOM 0 HA LEU A 3 134.532 -14.584 -14.745 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.694 -15.575 -15.804 1.00 0.48 H new ATOM 0 HB3 LEU A 3 135.771 -16.498 -14.635 1.00 0.48 H new ATOM 0 HG LEU A 3 135.063 -16.940 -17.490 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.966 -18.471 -17.839 1.00 1.05 H new ATOM 0 HD12 LEU A 3 137.501 -16.786 -17.640 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.671 -17.939 -16.294 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.932 -19.278 -16.713 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.553 -18.778 -15.122 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.973 -18.185 -15.686 1.00 1.42 H new ATOM 40 N THR A 4 133.895 -13.223 -17.141 1.00 0.41 N ATOM 41 CA THR A 4 134.005 -12.164 -18.140 1.00 0.49 C ATOM 42 C THR A 4 133.611 -10.819 -17.530 1.00 0.39 C ATOM 43 O THR A 4 133.681 -10.648 -16.316 1.00 0.39 O ATOM 44 CB THR A 4 133.123 -12.492 -19.351 1.00 0.65 C ATOM 45 OG1 THR A 4 131.767 -12.647 -18.966 1.00 0.64 O ATOM 46 CG2 THR A 4 133.547 -13.756 -20.067 1.00 0.80 C ATOM 0 H THR A 4 132.959 -13.321 -16.747 1.00 0.41 H new ATOM 0 HA THR A 4 135.040 -12.096 -18.475 1.00 0.49 H new ATOM 0 HB THR A 4 133.240 -11.648 -20.030 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.555 -13.601 -18.892 1.00 0.64 H new ATOM 0 HG21 THR A 4 132.885 -13.934 -20.914 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.571 -13.646 -20.424 1.00 0.80 H new ATOM 0 HG23 THR A 4 133.491 -14.600 -19.379 1.00 0.80 H new ATOM 54 N TYR A 5 133.232 -9.858 -18.376 1.00 0.48 N ATOM 55 CA TYR A 5 132.850 -8.513 -17.925 1.00 0.46 C ATOM 56 C TYR A 5 131.917 -8.533 -16.705 1.00 0.42 C ATOM 57 O TYR A 5 131.976 -7.628 -15.873 1.00 0.47 O ATOM 58 CB TYR A 5 132.188 -7.748 -19.080 1.00 0.59 C ATOM 59 CG TYR A 5 131.975 -6.270 -18.815 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.050 -5.401 -18.660 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.691 -5.744 -18.727 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.850 -4.053 -18.424 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.484 -4.399 -18.491 1.00 0.90 C ATOM 64 CZ TYR A 5 131.567 -3.558 -18.340 1.00 0.65 C ATOM 65 OH TYR A 5 131.366 -2.215 -18.108 1.00 0.79 O ATOM 0 H TYR A 5 133.181 -9.986 -19.387 1.00 0.48 H new ATOM 0 HA TYR A 5 133.764 -8.008 -17.614 1.00 0.46 H new ATOM 0 HB2 TYR A 5 132.804 -7.859 -19.973 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.224 -8.208 -19.298 1.00 0.59 H new ATOM 0 HD1 TYR A 5 134.057 -5.785 -18.725 1.00 0.71 H new ATOM 0 HD2 TYR A 5 129.840 -6.399 -18.845 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.696 -3.392 -18.306 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.480 -4.008 -18.425 1.00 0.90 H new ATOM 0 HH TYR A 5 130.404 -2.029 -18.078 1.00 0.79 H new ATOM 75 N GLU A 6 131.063 -9.557 -16.586 1.00 0.48 N ATOM 76 CA GLU A 6 130.145 -9.653 -15.444 1.00 0.50 C ATOM 77 C GLU A 6 130.880 -10.075 -14.163 1.00 0.38 C ATOM 78 O GLU A 6 130.334 -9.961 -13.064 1.00 0.47 O ATOM 79 CB GLU A 6 129.009 -10.640 -15.746 1.00 0.60 C ATOM 80 CG GLU A 6 127.803 -9.997 -16.416 1.00 0.65 C ATOM 81 CD GLU A 6 126.527 -10.797 -16.222 1.00 0.82 C ATOM 82 OE1 GLU A 6 125.818 -10.551 -15.223 1.00 0.99 O ATOM 83 OE2 GLU A 6 126.237 -11.667 -17.069 1.00 1.16 O ATOM 0 H GLU A 6 130.988 -10.322 -17.257 1.00 0.48 H new ATOM 0 HA GLU A 6 129.722 -8.662 -15.281 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.390 -11.434 -16.388 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.690 -11.109 -14.815 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.662 -8.993 -16.015 1.00 0.65 H new ATOM 0 HG3 GLU A 6 128.000 -9.889 -17.483 1.00 0.65 H new ATOM 90 N GLU A 7 132.120 -10.552 -14.308 1.00 0.30 N ATOM 91 CA GLU A 7 132.926 -10.978 -13.167 1.00 0.29 C ATOM 92 C GLU A 7 133.686 -9.799 -12.569 1.00 0.28 C ATOM 93 O GLU A 7 133.753 -9.655 -11.348 1.00 0.46 O ATOM 94 CB GLU A 7 133.916 -12.073 -13.578 1.00 0.40 C ATOM 95 CG GLU A 7 134.233 -13.054 -12.458 1.00 0.56 C ATOM 96 CD GLU A 7 135.596 -12.819 -11.839 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.685 -11.998 -10.905 1.00 0.81 O ATOM 98 OE2 GLU A 7 136.573 -13.457 -12.286 1.00 1.01 O ATOM 0 H GLU A 7 132.586 -10.652 -15.210 1.00 0.30 H new ATOM 0 HA GLU A 7 132.247 -11.379 -12.414 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.507 -12.622 -14.427 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.842 -11.607 -13.916 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.469 -12.974 -11.684 1.00 0.56 H new ATOM 0 HG3 GLU A 7 134.187 -14.071 -12.848 1.00 0.56 H new ATOM 105 N VAL A 8 134.250 -8.949 -13.433 1.00 0.34 N ATOM 106 CA VAL A 8 134.997 -7.780 -12.981 1.00 0.36 C ATOM 107 C VAL A 8 134.064 -6.718 -12.393 1.00 0.28 C ATOM 108 O VAL A 8 134.426 -6.038 -11.433 1.00 0.39 O ATOM 109 CB VAL A 8 135.846 -7.174 -14.126 1.00 0.54 C ATOM 110 CG1 VAL A 8 134.978 -6.488 -15.171 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.881 -6.209 -13.573 1.00 0.77 C ATOM 0 H VAL A 8 134.201 -9.052 -14.447 1.00 0.34 H new ATOM 0 HA VAL A 8 135.674 -8.115 -12.195 1.00 0.36 H new ATOM 0 HB VAL A 8 136.364 -7.997 -14.619 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.611 -6.076 -15.957 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.288 -7.213 -15.604 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.412 -5.683 -14.702 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.467 -5.794 -14.393 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.378 -5.401 -13.042 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.542 -6.738 -12.887 1.00 0.77 H new ATOM 121 N LEU A 9 132.866 -6.580 -12.973 1.00 0.36 N ATOM 122 CA LEU A 9 131.883 -5.601 -12.500 1.00 0.49 C ATOM 123 C LEU A 9 131.620 -5.763 -10.999 1.00 0.53 C ATOM 124 O LEU A 9 131.649 -4.785 -10.248 1.00 0.73 O ATOM 125 CB LEU A 9 130.569 -5.740 -13.280 1.00 0.66 C ATOM 126 CG LEU A 9 130.574 -5.117 -14.678 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.494 -5.744 -15.551 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.386 -3.608 -14.587 1.00 0.72 C ATOM 0 H LEU A 9 132.555 -7.134 -13.771 1.00 0.36 H new ATOM 0 HA LEU A 9 132.294 -4.606 -12.671 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.330 -6.799 -13.372 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.769 -5.282 -12.698 1.00 0.66 H new ATOM 0 HG LEU A 9 131.541 -5.316 -15.141 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.515 -5.287 -16.540 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.676 -6.815 -15.642 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.517 -5.580 -15.096 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.392 -3.180 -15.589 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.434 -3.388 -14.104 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.198 -3.175 -14.003 1.00 0.72 H new ATOM 140 N GLN A 10 131.369 -7.003 -10.569 1.00 0.42 N ATOM 141 CA GLN A 10 131.105 -7.300 -9.158 1.00 0.49 C ATOM 142 C GLN A 10 132.355 -7.099 -8.292 1.00 0.43 C ATOM 143 O GLN A 10 132.248 -6.904 -7.081 1.00 0.50 O ATOM 144 CB GLN A 10 130.590 -8.736 -9.003 1.00 0.60 C ATOM 145 CG GLN A 10 129.077 -8.857 -9.111 1.00 0.69 C ATOM 146 CD GLN A 10 128.373 -8.539 -7.804 1.00 0.82 C ATOM 147 OE1 GLN A 10 128.330 -7.385 -7.376 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.818 -9.561 -7.160 1.00 0.84 N ATOM 0 H GLN A 10 131.343 -7.819 -11.180 1.00 0.42 H new ATOM 0 HA GLN A 10 130.342 -6.602 -8.814 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.051 -9.363 -9.766 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.909 -9.125 -8.036 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.716 -8.182 -9.888 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.818 -9.869 -9.422 1.00 0.69 H new ATOM 0 HE21 GLN A 10 127.877 -10.502 -7.550 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.333 -9.404 -6.276 1.00 0.84 H new ATOM 157 N GLU A 11 133.535 -7.123 -8.919 1.00 0.41 N ATOM 158 CA GLU A 11 134.796 -6.920 -8.204 1.00 0.44 C ATOM 159 C GLU A 11 135.097 -5.425 -8.069 1.00 0.40 C ATOM 160 O GLU A 11 135.662 -4.984 -7.067 1.00 0.56 O ATOM 161 CB GLU A 11 135.949 -7.623 -8.929 1.00 0.52 C ATOM 162 CG GLU A 11 135.866 -9.143 -8.881 1.00 0.63 C ATOM 163 CD GLU A 11 137.223 -9.807 -8.726 1.00 1.02 C ATOM 164 OE1 GLU A 11 137.860 -9.623 -7.668 1.00 1.54 O ATOM 165 OE2 GLU A 11 137.648 -10.516 -9.661 1.00 1.64 O ATOM 0 H GLU A 11 133.642 -7.281 -9.921 1.00 0.41 H new ATOM 0 HA GLU A 11 134.696 -7.352 -7.208 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.962 -7.301 -9.970 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.893 -7.305 -8.486 1.00 0.52 H new ATOM 0 HG2 GLU A 11 135.225 -9.440 -8.051 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.393 -9.505 -9.794 1.00 0.63 H new ATOM 172 N LEU A 12 134.695 -4.652 -9.082 1.00 0.34 N ATOM 173 CA LEU A 12 134.899 -3.205 -9.078 1.00 0.34 C ATOM 174 C LEU A 12 134.109 -2.579 -7.930 1.00 0.31 C ATOM 175 O LEU A 12 134.684 -1.928 -7.056 1.00 0.39 O ATOM 176 CB LEU A 12 134.480 -2.602 -10.427 1.00 0.36 C ATOM 177 CG LEU A 12 135.145 -1.268 -10.790 1.00 0.44 C ATOM 178 CD1 LEU A 12 134.668 -0.160 -9.861 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.663 -1.393 -10.745 1.00 0.59 C ATOM 0 H LEU A 12 134.226 -5.007 -9.915 1.00 0.34 H new ATOM 0 HA LEU A 12 135.958 -2.991 -8.930 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.702 -3.324 -11.213 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.399 -2.459 -10.421 1.00 0.36 H new ATOM 0 HG LEU A 12 134.855 -1.008 -11.808 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.151 0.778 -10.135 1.00 0.65 H new ATOM 0 HD12 LEU A 12 133.587 -0.051 -9.950 1.00 0.65 H new ATOM 0 HD13 LEU A 12 134.924 -0.413 -8.832 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.115 -0.436 -11.006 1.00 0.59 H new ATOM 0 HD22 LEU A 12 136.975 -1.680 -9.741 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.987 -2.153 -11.456 1.00 0.59 H new ATOM 191 N VAL A 13 132.790 -2.786 -7.939 1.00 0.26 N ATOM 192 CA VAL A 13 131.919 -2.251 -6.894 1.00 0.26 C ATOM 193 C VAL A 13 132.403 -2.680 -5.504 1.00 0.22 C ATOM 194 O VAL A 13 132.584 -1.837 -4.626 1.00 0.24 O ATOM 195 CB VAL A 13 130.444 -2.681 -7.098 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.311 -4.196 -7.205 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.566 -2.144 -5.977 1.00 0.53 C ATOM 0 H VAL A 13 132.303 -3.320 -8.659 1.00 0.26 H new ATOM 0 HA VAL A 13 131.966 -1.164 -6.965 1.00 0.26 H new ATOM 0 HB VAL A 13 130.104 -2.252 -8.041 1.00 0.32 H new ATOM 0 HG11 VAL A 13 129.263 -4.460 -7.347 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.894 -4.553 -8.054 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.681 -4.659 -6.290 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.535 -2.458 -6.140 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.917 -2.534 -5.021 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.616 -1.055 -5.965 1.00 0.53 H new ATOM 207 N LYS A 14 132.603 -3.991 -5.309 1.00 0.24 N ATOM 208 CA LYS A 14 133.059 -4.531 -4.024 1.00 0.23 C ATOM 209 C LYS A 14 134.326 -3.831 -3.522 1.00 0.21 C ATOM 210 O LYS A 14 134.476 -3.608 -2.319 1.00 0.28 O ATOM 211 CB LYS A 14 133.313 -6.038 -4.148 1.00 0.30 C ATOM 212 CG LYS A 14 133.173 -6.794 -2.835 1.00 0.84 C ATOM 213 CD LYS A 14 132.990 -8.289 -3.061 1.00 0.68 C ATOM 214 CE LYS A 14 133.429 -9.094 -1.846 1.00 0.73 C ATOM 215 NZ LYS A 14 133.173 -10.555 -2.011 1.00 0.75 N ATOM 0 H LYS A 14 132.455 -4.698 -6.029 1.00 0.24 H new ATOM 0 HA LYS A 14 132.269 -4.348 -3.295 1.00 0.23 H new ATOM 0 HB2 LYS A 14 132.615 -6.456 -4.874 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.317 -6.197 -4.543 1.00 0.30 H new ATOM 0 HG2 LYS A 14 134.058 -6.625 -2.222 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.321 -6.403 -2.279 1.00 0.84 H new ATOM 0 HD2 LYS A 14 131.943 -8.500 -3.280 1.00 0.68 H new ATOM 0 HD3 LYS A 14 133.566 -8.600 -3.932 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.492 -8.931 -1.670 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.901 -8.732 -0.964 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 133.488 -11.061 -1.159 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.155 -10.715 -2.152 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.697 -10.908 -2.837 1.00 0.75 H new ATOM 229 N HIS A 15 135.227 -3.473 -4.442 1.00 0.25 N ATOM 230 CA HIS A 15 136.466 -2.784 -4.074 1.00 0.27 C ATOM 231 C HIS A 15 136.160 -1.384 -3.544 1.00 0.23 C ATOM 232 O HIS A 15 136.840 -0.891 -2.642 1.00 0.43 O ATOM 233 CB HIS A 15 137.418 -2.695 -5.272 1.00 0.33 C ATOM 234 CG HIS A 15 138.209 -3.944 -5.509 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.456 -3.946 -6.095 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.916 -5.240 -5.248 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.894 -5.189 -6.190 1.00 0.88 C ATOM 238 NE2 HIS A 15 138.980 -5.992 -5.682 1.00 0.72 N ATOM 0 H HIS A 15 135.122 -3.648 -5.441 1.00 0.25 H new ATOM 0 HA HIS A 15 136.953 -3.361 -3.288 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.840 -2.467 -6.167 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.106 -1.864 -5.116 1.00 0.33 H new ATOM 0 HD2 HIS A 15 137.014 -5.613 -4.785 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.840 -5.495 -6.612 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.052 -7.008 -5.621 1.00 0.72 H new ATOM 247 N LYS A 16 135.127 -0.754 -4.108 1.00 0.21 N ATOM 248 CA LYS A 16 134.715 0.584 -3.690 1.00 0.25 C ATOM 249 C LYS A 16 133.928 0.514 -2.381 1.00 0.32 C ATOM 250 O LYS A 16 134.126 1.338 -1.485 1.00 0.62 O ATOM 251 CB LYS A 16 133.864 1.252 -4.780 1.00 0.37 C ATOM 252 CG LYS A 16 134.657 1.654 -6.019 1.00 0.50 C ATOM 253 CD LYS A 16 133.759 2.234 -7.105 1.00 0.57 C ATOM 254 CE LYS A 16 133.370 3.677 -6.812 1.00 0.59 C ATOM 255 NZ LYS A 16 131.918 3.810 -6.505 1.00 0.66 N ATOM 0 H LYS A 16 134.561 -1.152 -4.857 1.00 0.21 H new ATOM 0 HA LYS A 16 135.611 1.184 -3.531 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.067 0.569 -5.075 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.386 2.138 -4.363 1.00 0.37 H new ATOM 0 HG2 LYS A 16 135.414 2.388 -5.743 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.185 0.784 -6.410 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.273 2.185 -8.065 1.00 0.57 H new ATOM 0 HD3 LYS A 16 132.858 1.626 -7.194 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.954 4.047 -5.969 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.618 4.301 -7.670 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.694 4.807 -6.311 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.360 3.481 -7.319 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.685 3.235 -5.670 1.00 0.66 H new ATOM 269 N GLU A 17 133.038 -0.482 -2.275 1.00 0.32 N ATOM 270 CA GLU A 17 132.227 -0.667 -1.071 1.00 0.39 C ATOM 271 C GLU A 17 133.131 -0.894 0.139 1.00 0.32 C ATOM 272 O GLU A 17 133.097 -0.120 1.092 1.00 0.40 O ATOM 273 CB GLU A 17 131.263 -1.848 -1.256 1.00 0.51 C ATOM 274 CG GLU A 17 130.511 -2.245 0.007 1.00 0.80 C ATOM 275 CD GLU A 17 130.604 -3.730 0.299 1.00 1.08 C ATOM 276 OE1 GLU A 17 131.694 -4.190 0.699 1.00 1.47 O ATOM 277 OE2 GLU A 17 129.585 -4.432 0.129 1.00 1.43 O ATOM 0 H GLU A 17 132.864 -1.169 -3.009 1.00 0.32 H new ATOM 0 HA GLU A 17 131.637 0.233 -0.899 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.540 -1.594 -2.031 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.826 -2.709 -1.616 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.910 -1.686 0.854 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.463 -1.964 -0.095 1.00 0.80 H new ATOM 284 N LEU A 18 133.921 -1.972 0.100 1.00 0.32 N ATOM 285 CA LEU A 18 134.834 -2.316 1.195 1.00 0.34 C ATOM 286 C LEU A 18 135.542 -1.079 1.761 1.00 0.33 C ATOM 287 O LEU A 18 135.668 -0.938 2.978 1.00 0.66 O ATOM 288 CB LEU A 18 135.873 -3.332 0.708 1.00 0.53 C ATOM 289 CG LEU A 18 135.406 -4.792 0.708 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.207 -5.612 -0.293 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.520 -5.392 2.103 1.00 0.79 C ATOM 0 H LEU A 18 133.946 -2.625 -0.683 1.00 0.32 H new ATOM 0 HA LEU A 18 134.238 -2.752 1.997 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.174 -3.063 -0.305 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.760 -3.251 1.336 1.00 0.53 H new ATOM 0 HG LEU A 18 134.358 -4.815 0.409 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.860 -6.645 -0.277 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.072 -5.199 -1.293 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.264 -5.580 -0.027 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.184 -6.429 2.082 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.559 -5.354 2.432 1.00 0.79 H new ATOM 0 HD23 LEU A 18 134.899 -4.823 2.795 1.00 0.79 H new ATOM 303 N LEU A 19 135.994 -0.183 0.876 1.00 0.43 N ATOM 304 CA LEU A 19 136.679 1.040 1.301 1.00 0.44 C ATOM 305 C LEU A 19 135.727 1.979 2.048 1.00 0.30 C ATOM 306 O LEU A 19 136.133 2.652 2.998 1.00 0.45 O ATOM 307 CB LEU A 19 137.279 1.765 0.092 1.00 0.57 C ATOM 308 CG LEU A 19 138.762 1.484 -0.164 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.056 1.490 -1.658 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.631 2.506 0.559 1.00 0.94 C ATOM 0 H LEU A 19 135.898 -0.282 -0.135 1.00 0.43 H new ATOM 0 HA LEU A 19 137.481 0.751 1.981 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.714 1.485 -0.797 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.147 2.838 0.229 1.00 0.57 H new ATOM 0 HG LEU A 19 138.999 0.495 0.227 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.115 1.289 -1.821 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.460 0.721 -2.149 1.00 0.88 H new ATOM 0 HD13 LEU A 19 138.804 2.465 -2.075 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.682 2.291 0.366 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.393 3.506 0.198 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.440 2.452 1.631 1.00 0.94 H new ATOM 322 N ARG A 20 134.461 2.014 1.618 1.00 0.32 N ATOM 323 CA ARG A 20 133.451 2.862 2.251 1.00 0.50 C ATOM 324 C ARG A 20 133.238 2.452 3.705 1.00 0.40 C ATOM 325 O ARG A 20 133.451 3.257 4.613 1.00 0.47 O ATOM 326 CB ARG A 20 132.124 2.797 1.486 1.00 0.78 C ATOM 327 CG ARG A 20 132.111 3.626 0.210 1.00 0.89 C ATOM 328 CD ARG A 20 130.978 4.642 0.213 1.00 0.98 C ATOM 329 NE ARG A 20 131.451 5.995 -0.088 1.00 1.06 N ATOM 330 CZ ARG A 20 131.095 7.093 0.591 1.00 1.17 C ATOM 331 NH1 ARG A 20 130.257 7.017 1.624 1.00 1.74 N ATOM 332 NH2 ARG A 20 131.581 8.276 0.231 1.00 1.60 N ATOM 0 H ARG A 20 134.113 1.463 0.833 1.00 0.32 H new ATOM 0 HA ARG A 20 133.814 3.889 2.226 1.00 0.50 H new ATOM 0 HB2 ARG A 20 131.910 1.758 1.236 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.321 3.139 2.139 1.00 0.78 H new ATOM 0 HG2 ARG A 20 133.064 4.144 0.102 1.00 0.89 H new ATOM 0 HG3 ARG A 20 132.007 2.967 -0.652 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.227 4.349 -0.521 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.490 4.637 1.188 1.00 0.98 H new ATOM 0 HE ARG A 20 132.097 6.109 -0.869 1.00 1.06 H new ATOM 0 HH11 ARG A 20 129.877 6.114 1.907 1.00 1.74 H new ATOM 0 HH12 ARG A 20 129.995 7.862 2.131 1.00 1.74 H new ATOM 0 HH21 ARG A 20 132.222 8.345 -0.559 1.00 1.60 H new ATOM 0 HH22 ARG A 20 131.313 9.115 0.745 1.00 1.60 H new ATOM 346 N ARG A 21 132.824 1.198 3.928 1.00 0.36 N ATOM 347 CA ARG A 21 132.597 0.697 5.282 1.00 0.37 C ATOM 348 C ARG A 21 133.856 0.846 6.135 1.00 0.35 C ATOM 349 O ARG A 21 133.772 1.157 7.323 1.00 0.49 O ATOM 350 CB ARG A 21 132.153 -0.767 5.243 1.00 0.47 C ATOM 351 CG ARG A 21 131.586 -1.266 6.562 1.00 0.71 C ATOM 352 CD ARG A 21 131.785 -2.764 6.719 1.00 0.94 C ATOM 353 NE ARG A 21 131.358 -3.243 8.032 1.00 0.95 N ATOM 354 CZ ARG A 21 131.159 -4.530 8.326 1.00 1.19 C ATOM 355 NH1 ARG A 21 131.339 -5.470 7.400 1.00 2.03 N ATOM 356 NH2 ARG A 21 130.778 -4.880 9.550 1.00 1.50 N ATOM 0 H ARG A 21 132.641 0.518 3.190 1.00 0.36 H new ATOM 0 HA ARG A 21 131.804 1.291 5.735 1.00 0.37 H new ATOM 0 HB2 ARG A 21 131.400 -0.889 4.464 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.004 -1.389 4.964 1.00 0.47 H new ATOM 0 HG2 ARG A 21 132.069 -0.745 7.388 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.523 -1.031 6.615 1.00 0.71 H new ATOM 0 HD2 ARG A 21 131.225 -3.286 5.944 1.00 0.94 H new ATOM 0 HD3 ARG A 21 132.837 -3.007 6.570 1.00 0.94 H new ATOM 0 HE ARG A 21 131.203 -2.553 8.767 1.00 0.95 H new ATOM 0 HH11 ARG A 21 131.631 -5.209 6.458 1.00 2.03 H new ATOM 0 HH12 ARG A 21 131.185 -6.451 7.633 1.00 2.03 H new ATOM 0 HH21 ARG A 21 130.638 -4.166 10.264 1.00 1.50 H new ATOM 0 HH22 ARG A 21 130.626 -5.863 9.775 1.00 1.50 H new ATOM 370 N LYS A 22 135.025 0.637 5.520 1.00 0.33 N ATOM 371 CA LYS A 22 136.298 0.775 6.225 1.00 0.41 C ATOM 372 C LYS A 22 136.378 2.157 6.856 1.00 0.34 C ATOM 373 O LYS A 22 136.592 2.286 8.063 1.00 0.36 O ATOM 374 CB LYS A 22 137.484 0.562 5.275 1.00 0.56 C ATOM 375 CG LYS A 22 138.406 -0.571 5.700 1.00 0.77 C ATOM 376 CD LYS A 22 139.282 -1.044 4.549 1.00 0.95 C ATOM 377 CE LYS A 22 140.605 -0.291 4.501 1.00 0.76 C ATOM 378 NZ LYS A 22 141.544 -0.739 5.569 1.00 0.71 N ATOM 0 H LYS A 22 135.113 0.373 4.539 1.00 0.33 H new ATOM 0 HA LYS A 22 136.349 0.012 7.001 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.105 0.355 4.274 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.060 1.485 5.213 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.036 -0.238 6.524 1.00 0.77 H new ATOM 0 HG3 LYS A 22 137.811 -1.405 6.071 1.00 0.77 H new ATOM 0 HD2 LYS A 22 139.475 -2.112 4.653 1.00 0.95 H new ATOM 0 HD3 LYS A 22 138.751 -0.907 3.607 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.070 -0.437 3.526 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.418 0.777 4.608 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 142.488 -0.342 5.390 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.200 -0.410 6.494 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 141.599 -1.778 5.569 1.00 0.71 H new ATOM 392 N ASP A 23 136.182 3.191 6.031 1.00 0.34 N ATOM 393 CA ASP A 23 136.209 4.567 6.511 1.00 0.32 C ATOM 394 C ASP A 23 135.095 4.809 7.531 1.00 0.29 C ATOM 395 O ASP A 23 135.223 5.675 8.398 1.00 0.34 O ATOM 396 CB ASP A 23 136.072 5.554 5.344 1.00 0.37 C ATOM 397 CG ASP A 23 137.185 6.583 5.329 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.067 7.596 6.051 1.00 1.15 O ATOM 399 OD2 ASP A 23 138.176 6.376 4.598 1.00 1.17 O ATOM 0 H ASP A 23 136.004 3.096 5.031 1.00 0.34 H new ATOM 0 HA ASP A 23 137.171 4.731 6.997 1.00 0.32 H new ATOM 0 HB2 ASP A 23 136.076 5.004 4.403 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.110 6.063 5.412 1.00 0.37 H new ATOM 404 N THR A 24 133.999 4.043 7.434 1.00 0.27 N ATOM 405 CA THR A 24 132.898 4.210 8.374 1.00 0.28 C ATOM 406 C THR A 24 133.357 3.811 9.773 1.00 0.27 C ATOM 407 O THR A 24 133.345 4.643 10.680 1.00 0.32 O ATOM 408 CB THR A 24 131.674 3.379 7.954 1.00 0.31 C ATOM 409 OG1 THR A 24 131.109 3.887 6.757 1.00 0.52 O ATOM 410 CG2 THR A 24 130.576 3.351 9.003 1.00 0.53 C ATOM 0 H THR A 24 133.858 3.319 6.729 1.00 0.27 H new ATOM 0 HA THR A 24 132.600 5.258 8.375 1.00 0.28 H new ATOM 0 HB THR A 24 132.049 2.365 7.816 1.00 0.31 H new ATOM 0 HG1 THR A 24 131.737 3.754 6.017 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.743 2.748 8.642 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.965 2.918 9.925 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.231 4.367 9.196 1.00 0.53 H new ATOM 418 N HIS A 25 133.729 2.534 9.961 1.00 0.27 N ATOM 419 CA HIS A 25 134.158 2.026 11.272 1.00 0.31 C ATOM 420 C HIS A 25 135.061 2.997 12.036 1.00 0.33 C ATOM 421 O HIS A 25 134.801 3.286 13.203 1.00 0.43 O ATOM 422 CB HIS A 25 134.867 0.677 11.114 1.00 0.37 C ATOM 423 CG HIS A 25 134.121 -0.462 11.738 1.00 0.38 C ATOM 424 ND1 HIS A 25 133.758 -0.483 13.068 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.661 -1.619 11.208 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.109 -1.602 13.329 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.036 -2.310 12.217 1.00 0.75 N ATOM 0 H HIS A 25 133.741 1.834 9.219 1.00 0.27 H new ATOM 0 HA HIS A 25 133.250 1.907 11.863 1.00 0.31 H new ATOM 0 HB2 HIS A 25 135.009 0.471 10.053 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.859 0.741 11.562 1.00 0.37 H new ATOM 0 HD2 HIS A 25 133.766 -1.940 10.182 1.00 0.92 H new ATOM 0 HE1 HIS A 25 132.706 -1.890 14.289 1.00 0.79 H new ATOM 0 HE2 HIS A 25 132.588 -3.222 12.123 1.00 0.75 H new ATOM 436 N ILE A 26 136.125 3.488 11.393 1.00 0.31 N ATOM 437 CA ILE A 26 137.052 4.418 12.052 1.00 0.35 C ATOM 438 C ILE A 26 136.325 5.640 12.634 1.00 0.34 C ATOM 439 O ILE A 26 136.802 6.254 13.591 1.00 0.46 O ATOM 440 CB ILE A 26 138.174 4.900 11.102 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.584 5.546 9.845 1.00 0.40 C ATOM 442 CG2 ILE A 26 139.089 3.739 10.729 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.572 6.392 9.068 1.00 0.68 C ATOM 0 H ILE A 26 136.366 3.261 10.428 1.00 0.31 H new ATOM 0 HA ILE A 26 137.504 3.853 12.867 1.00 0.35 H new ATOM 0 HB ILE A 26 138.764 5.653 11.624 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.199 4.762 9.192 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.735 6.167 10.132 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.873 4.094 10.060 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.541 3.327 11.632 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.508 2.964 10.228 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.079 6.815 8.192 1.00 0.68 H new ATOM 0 HD12 ILE A 26 138.939 7.198 9.703 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.410 5.772 8.749 1.00 0.68 H new ATOM 455 N ARG A 27 135.165 5.979 12.061 1.00 0.29 N ATOM 456 CA ARG A 27 134.370 7.114 12.531 1.00 0.35 C ATOM 457 C ARG A 27 133.390 6.691 13.632 1.00 0.34 C ATOM 458 O ARG A 27 133.194 7.424 14.602 1.00 0.39 O ATOM 459 CB ARG A 27 133.605 7.750 11.364 1.00 0.44 C ATOM 460 CG ARG A 27 133.420 9.254 11.501 1.00 0.52 C ATOM 461 CD ARG A 27 131.955 9.628 11.665 1.00 0.81 C ATOM 462 NE ARG A 27 131.195 9.439 10.429 1.00 0.91 N ATOM 463 CZ ARG A 27 129.964 9.916 10.229 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.340 10.601 11.184 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.355 9.705 9.067 1.00 1.68 N ATOM 0 H ARG A 27 134.757 5.481 11.270 1.00 0.29 H new ATOM 0 HA ARG A 27 135.056 7.849 12.951 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.137 7.541 10.436 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.626 7.278 11.283 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.986 9.613 12.361 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.826 9.752 10.621 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.514 9.023 12.457 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.880 10.669 11.980 1.00 0.81 H new ATOM 0 HE ARG A 27 131.632 8.911 9.674 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.802 10.766 12.078 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.400 10.961 11.022 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.828 9.180 8.331 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.415 10.068 8.911 1.00 1.68 H new ATOM 479 N GLU A 28 132.782 5.507 13.482 1.00 0.33 N ATOM 480 CA GLU A 28 131.830 4.996 14.474 1.00 0.38 C ATOM 481 C GLU A 28 132.547 4.630 15.775 1.00 0.37 C ATOM 482 O GLU A 28 132.035 4.890 16.866 1.00 0.47 O ATOM 483 CB GLU A 28 131.064 3.786 13.918 1.00 0.48 C ATOM 484 CG GLU A 28 131.826 2.472 14.008 1.00 0.81 C ATOM 485 CD GLU A 28 131.075 1.311 13.385 1.00 1.22 C ATOM 486 OE1 GLU A 28 131.019 1.237 12.139 1.00 1.66 O ATOM 487 OE2 GLU A 28 130.546 0.472 14.144 1.00 1.85 O ATOM 0 H GLU A 28 132.932 4.888 12.686 1.00 0.33 H new ATOM 0 HA GLU A 28 131.110 5.785 14.692 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.123 3.686 14.459 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.813 3.977 12.875 1.00 0.48 H new ATOM 0 HG2 GLU A 28 132.790 2.582 13.512 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.030 2.247 15.055 1.00 0.81 H new ATOM 494 N LEU A 29 133.744 4.047 15.651 1.00 0.34 N ATOM 495 CA LEU A 29 134.540 3.674 16.818 1.00 0.38 C ATOM 496 C LEU A 29 135.159 4.919 17.468 1.00 0.42 C ATOM 497 O LEU A 29 135.697 4.849 18.575 1.00 0.80 O ATOM 498 CB LEU A 29 135.631 2.672 16.429 1.00 0.48 C ATOM 499 CG LEU A 29 135.605 1.359 17.220 1.00 0.49 C ATOM 500 CD1 LEU A 29 134.814 0.293 16.472 1.00 0.84 C ATOM 501 CD2 LEU A 29 137.020 0.876 17.511 1.00 0.58 C ATOM 0 H LEU A 29 134.179 3.825 14.756 1.00 0.34 H new ATOM 0 HA LEU A 29 133.881 3.198 17.544 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.534 2.443 15.368 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.604 3.144 16.566 1.00 0.48 H new ATOM 0 HG LEU A 29 135.107 1.546 18.172 1.00 0.49 H new ATOM 0 HD11 LEU A 29 134.809 -0.630 17.052 1.00 0.84 H new ATOM 0 HD12 LEU A 29 133.790 0.636 16.326 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.277 0.110 15.502 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.978 -0.057 18.073 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.548 0.710 16.572 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.548 1.629 18.096 1.00 0.58 H new ATOM 513 N GLU A 30 135.041 6.064 16.784 1.00 0.42 N ATOM 514 CA GLU A 30 135.546 7.331 17.301 1.00 0.46 C ATOM 515 C GLU A 30 134.604 7.855 18.384 1.00 0.46 C ATOM 516 O GLU A 30 135.042 8.478 19.352 1.00 0.61 O ATOM 517 CB GLU A 30 135.693 8.358 16.173 1.00 0.51 C ATOM 518 CG GLU A 30 137.138 8.717 15.864 1.00 0.57 C ATOM 519 CD GLU A 30 137.753 9.626 16.912 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.108 9.125 18.001 1.00 1.33 O ATOM 521 OE2 GLU A 30 137.880 10.840 16.646 1.00 1.24 O ATOM 0 H GLU A 30 134.598 6.133 15.868 1.00 0.42 H new ATOM 0 HA GLU A 30 136.532 7.167 17.735 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.224 7.965 15.271 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.152 9.264 16.445 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.727 7.803 15.791 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.186 9.206 14.891 1.00 0.57 H new ATOM 528 N ASP A 31 133.309 7.550 18.232 1.00 0.43 N ATOM 529 CA ASP A 31 132.298 7.939 19.209 1.00 0.58 C ATOM 530 C ASP A 31 132.203 6.869 20.299 1.00 0.59 C ATOM 531 O ASP A 31 131.933 7.172 21.463 1.00 0.78 O ATOM 532 CB ASP A 31 130.938 8.122 18.534 1.00 0.71 C ATOM 533 CG ASP A 31 129.953 8.867 19.414 1.00 1.27 C ATOM 534 OD1 ASP A 31 129.990 10.115 19.419 1.00 1.73 O ATOM 535 OD2 ASP A 31 129.146 8.202 20.099 1.00 1.65 O ATOM 0 H ASP A 31 132.940 7.032 17.435 1.00 0.43 H new ATOM 0 HA ASP A 31 132.588 8.889 19.657 1.00 0.58 H new ATOM 0 HB2 ASP A 31 131.070 8.666 17.599 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.527 7.145 18.279 1.00 0.71 H new ATOM 540 N TYR A 32 132.457 5.617 19.900 1.00 0.51 N ATOM 541 CA TYR A 32 132.436 4.488 20.826 1.00 0.56 C ATOM 542 C TYR A 32 133.488 4.690 21.913 1.00 0.55 C ATOM 543 O TYR A 32 133.253 4.390 23.085 1.00 0.64 O ATOM 544 CB TYR A 32 132.691 3.172 20.081 1.00 0.61 C ATOM 545 CG TYR A 32 131.434 2.535 19.530 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.336 2.301 20.349 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.343 2.168 18.192 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.185 1.720 19.852 1.00 1.38 C ATOM 549 CE2 TYR A 32 130.196 1.587 17.687 1.00 1.19 C ATOM 550 CZ TYR A 32 129.120 1.365 18.521 1.00 1.23 C ATOM 551 OH TYR A 32 127.975 0.787 18.023 1.00 1.55 O ATOM 0 H TYR A 32 132.680 5.364 18.937 1.00 0.51 H new ATOM 0 HA TYR A 32 131.450 4.434 21.288 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.384 3.357 19.261 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.178 2.470 20.757 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.383 2.578 21.392 1.00 1.15 H new ATOM 0 HD2 TYR A 32 132.184 2.340 17.536 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.341 1.545 20.502 1.00 1.38 H new ATOM 0 HE2 TYR A 32 130.142 1.308 16.645 1.00 1.19 H new ATOM 0 HH TYR A 32 128.092 0.599 17.068 1.00 1.55 H new ATOM 561 N ILE A 33 134.645 5.223 21.510 1.00 0.53 N ATOM 562 CA ILE A 33 135.738 5.496 22.436 1.00 0.62 C ATOM 563 C ILE A 33 135.500 6.812 23.178 1.00 0.58 C ATOM 564 O ILE A 33 135.810 6.920 24.365 1.00 0.77 O ATOM 565 CB ILE A 33 137.098 5.558 21.701 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.419 4.203 21.064 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.211 5.976 22.656 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.384 4.292 19.901 1.00 0.85 C ATOM 0 H ILE A 33 134.845 5.474 20.542 1.00 0.53 H new ATOM 0 HA ILE A 33 135.768 4.676 23.154 1.00 0.62 H new ATOM 0 HB ILE A 33 137.028 6.307 20.912 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.839 3.544 21.824 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.492 3.744 20.721 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.158 6.013 22.117 1.00 0.94 H new ATOM 0 HG22 ILE A 33 137.988 6.961 23.066 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.284 5.253 23.469 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.564 3.294 19.501 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.958 4.924 19.122 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.326 4.722 20.242 1.00 0.85 H new ATOM 580 N ASP A 34 134.964 7.814 22.461 1.00 0.49 N ATOM 581 CA ASP A 34 134.690 9.140 23.030 1.00 0.54 C ATOM 582 C ASP A 34 134.157 9.062 24.463 1.00 0.44 C ATOM 583 O ASP A 34 134.531 9.873 25.298 1.00 0.47 O ATOM 584 CB ASP A 34 133.696 9.907 22.148 1.00 0.75 C ATOM 585 CG ASP A 34 134.311 11.149 21.530 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.732 12.047 22.291 1.00 1.49 O ATOM 587 OD2 ASP A 34 134.373 11.222 20.285 1.00 1.42 O ATOM 0 H ASP A 34 134.711 7.727 21.477 1.00 0.49 H new ATOM 0 HA ASP A 34 135.640 9.673 23.061 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.335 9.251 21.356 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.830 10.192 22.745 1.00 0.75 H new ATOM 592 N ASN A 35 133.285 8.086 24.732 1.00 0.53 N ATOM 593 CA ASN A 35 132.697 7.898 26.066 1.00 0.57 C ATOM 594 C ASN A 35 133.702 8.225 27.179 1.00 0.47 C ATOM 595 O ASN A 35 133.354 8.883 28.161 1.00 0.58 O ATOM 596 CB ASN A 35 132.187 6.462 26.226 1.00 0.74 C ATOM 597 CG ASN A 35 130.678 6.365 26.088 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.963 6.198 27.076 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.185 6.469 24.858 1.00 1.32 N ATOM 0 H ASN A 35 132.967 7.408 24.039 1.00 0.53 H new ATOM 0 HA ASN A 35 131.859 8.590 26.156 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.659 5.826 25.477 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.485 6.080 27.202 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.178 6.411 24.706 1.00 1.32 H new ATOM 0 HD22 ASN A 35 130.814 6.607 24.067 1.00 1.32 H new ATOM 606 N LEU A 36 134.951 7.780 27.007 1.00 0.42 N ATOM 607 CA LEU A 36 136.006 8.048 27.986 1.00 0.47 C ATOM 608 C LEU A 36 136.316 9.546 28.035 1.00 0.42 C ATOM 609 O LEU A 36 136.315 10.153 29.108 1.00 0.53 O ATOM 610 CB LEU A 36 137.277 7.261 27.642 1.00 0.66 C ATOM 611 CG LEU A 36 137.077 5.760 27.397 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.222 5.197 26.567 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.957 5.014 28.719 1.00 1.66 C ATOM 0 H LEU A 36 135.254 7.234 26.201 1.00 0.42 H new ATOM 0 HA LEU A 36 135.653 7.726 28.966 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.726 7.700 26.751 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.993 7.387 28.455 1.00 0.66 H new ATOM 0 HG LEU A 36 136.150 5.623 26.840 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.063 4.131 26.403 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.261 5.710 25.606 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.163 5.346 27.097 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.816 3.951 28.525 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.866 5.159 29.302 1.00 1.66 H new ATOM 0 HD23 LEU A 36 136.103 5.398 29.277 1.00 1.66 H new ATOM 625 N LEU A 37 136.561 10.136 26.861 1.00 0.36 N ATOM 626 CA LEU A 37 136.852 11.565 26.754 1.00 0.40 C ATOM 627 C LEU A 37 135.709 12.296 26.033 1.00 0.32 C ATOM 628 O LEU A 37 135.909 12.918 24.986 1.00 0.42 O ATOM 629 CB LEU A 37 138.181 11.785 26.016 1.00 0.56 C ATOM 630 CG LEU A 37 138.278 11.128 24.633 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.939 12.069 23.635 1.00 0.73 C ATOM 632 CD2 LEU A 37 139.040 9.813 24.719 1.00 0.63 C ATOM 0 H LEU A 37 136.563 9.642 25.969 1.00 0.36 H new ATOM 0 HA LEU A 37 136.941 11.976 27.760 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.342 12.857 25.903 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.991 11.405 26.639 1.00 0.56 H new ATOM 0 HG LEU A 37 137.268 10.917 24.282 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.998 11.583 22.661 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.350 12.982 23.550 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.944 12.316 23.978 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.099 9.361 23.729 1.00 0.63 H new ATOM 0 HD22 LEU A 37 140.047 10.000 25.093 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.521 9.135 25.397 1.00 0.63 H new ATOM 644 N VAL A 38 134.507 12.201 26.613 1.00 0.29 N ATOM 645 CA VAL A 38 133.305 12.837 26.063 1.00 0.41 C ATOM 646 C VAL A 38 132.278 13.091 27.178 1.00 0.38 C ATOM 647 O VAL A 38 132.532 12.773 28.342 1.00 0.61 O ATOM 648 CB VAL A 38 132.671 11.986 24.933 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.718 10.936 25.492 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.965 12.876 23.917 1.00 0.99 C ATOM 0 H VAL A 38 134.341 11.682 27.475 1.00 0.29 H new ATOM 0 HA VAL A 38 133.606 13.791 25.630 1.00 0.41 H new ATOM 0 HB VAL A 38 133.478 11.459 24.424 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.292 10.358 24.672 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.263 10.270 26.161 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.917 11.428 26.043 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.528 12.257 23.133 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.177 13.442 24.414 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.684 13.566 23.476 1.00 0.99 H new ATOM 660 N ARG A 39 131.116 13.646 26.823 1.00 0.44 N ATOM 661 CA ARG A 39 130.068 13.910 27.806 1.00 0.47 C ATOM 662 C ARG A 39 129.150 12.694 27.944 1.00 0.53 C ATOM 663 O ARG A 39 128.218 12.516 27.158 1.00 0.86 O ATOM 664 CB ARG A 39 129.252 15.148 27.409 1.00 0.59 C ATOM 665 CG ARG A 39 128.141 15.486 28.394 1.00 0.75 C ATOM 666 CD ARG A 39 127.991 16.989 28.586 1.00 0.97 C ATOM 667 NE ARG A 39 126.650 17.457 28.231 1.00 0.93 N ATOM 668 CZ ARG A 39 125.563 17.277 28.990 1.00 1.00 C ATOM 669 NH1 ARG A 39 125.649 16.654 30.163 1.00 1.27 N ATOM 670 NH2 ARG A 39 124.384 17.726 28.572 1.00 1.48 N ATOM 0 H ARG A 39 130.880 13.919 25.869 1.00 0.44 H new ATOM 0 HA ARG A 39 130.542 14.103 28.768 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.923 16.003 27.323 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.816 14.985 26.424 1.00 0.59 H new ATOM 0 HG2 ARG A 39 127.199 15.070 28.036 1.00 0.75 H new ATOM 0 HG3 ARG A 39 128.352 15.016 29.355 1.00 0.75 H new ATOM 0 HD2 ARG A 39 128.201 17.244 29.625 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.729 17.508 27.975 1.00 0.97 H new ATOM 0 HE ARG A 39 126.537 17.953 27.347 1.00 0.93 H new ATOM 0 HH11 ARG A 39 126.550 16.308 30.492 1.00 1.27 H new ATOM 0 HH12 ARG A 39 124.813 16.523 30.733 1.00 1.27 H new ATOM 0 HH21 ARG A 39 124.310 18.206 27.675 1.00 1.48 H new ATOM 0 HH22 ARG A 39 123.553 17.590 29.148 1.00 1.48 H new ATOM 684 N VAL A 40 129.429 11.857 28.944 1.00 0.46 N ATOM 685 CA VAL A 40 128.634 10.650 29.182 1.00 0.53 C ATOM 686 C VAL A 40 127.260 10.992 29.760 1.00 0.53 C ATOM 687 O VAL A 40 127.117 11.945 30.529 1.00 0.66 O ATOM 688 CB VAL A 40 129.351 9.662 30.130 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.543 9.020 29.435 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.784 10.353 31.419 1.00 0.78 C ATOM 0 H VAL A 40 130.197 11.991 29.601 1.00 0.46 H new ATOM 0 HA VAL A 40 128.507 10.171 28.211 1.00 0.53 H new ATOM 0 HB VAL A 40 128.644 8.876 30.394 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.034 8.328 30.119 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.201 8.477 28.554 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.249 9.794 29.134 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.286 9.634 32.067 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.469 11.168 31.183 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.908 10.752 31.930 1.00 0.78 H new ATOM 700 N MET A 41 126.253 10.203 29.382 1.00 0.53 N ATOM 701 CA MET A 41 124.886 10.412 29.857 1.00 0.60 C ATOM 702 C MET A 41 124.551 9.453 30.996 1.00 0.86 C ATOM 703 O MET A 41 123.973 9.851 32.007 1.00 1.20 O ATOM 704 CB MET A 41 123.885 10.236 28.709 1.00 0.75 C ATOM 705 CG MET A 41 123.899 8.849 28.080 1.00 0.56 C ATOM 706 SD MET A 41 122.493 8.569 26.986 1.00 0.67 S ATOM 707 CE MET A 41 123.076 9.340 25.478 1.00 0.54 C ATOM 0 H MET A 41 126.360 9.412 28.747 1.00 0.53 H new ATOM 0 HA MET A 41 124.814 11.432 30.234 1.00 0.60 H new ATOM 0 HB2 MET A 41 122.882 10.445 29.081 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.099 10.975 27.937 1.00 0.75 H new ATOM 0 HG2 MET A 41 124.824 8.718 27.518 1.00 0.56 H new ATOM 0 HG3 MET A 41 123.896 8.097 28.869 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.314 9.248 24.704 1.00 0.54 H new ATOM 0 HE2 MET A 41 123.280 10.395 25.664 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.990 8.847 25.147 1.00 0.54 H new ATOM 718 N GLY B 1 134.843 4.397 -27.793 1.00 0.61 N ATOM 719 CA GLY B 1 136.314 4.208 -27.955 1.00 0.61 C ATOM 720 C GLY B 1 136.819 2.949 -27.274 1.00 0.52 C ATOM 721 O GLY B 1 136.891 1.887 -27.895 1.00 0.60 O ATOM 0 H1 GLY B 1 134.550 5.270 -28.276 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.341 3.586 -28.208 1.00 0.61 H new ATOM 0 H3 GLY B 1 134.611 4.467 -26.782 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.556 4.164 -29.017 1.00 0.61 H new ATOM 0 HA3 GLY B 1 136.835 5.073 -27.544 1.00 0.61 H new ATOM 727 N SER B 2 137.167 3.072 -25.992 1.00 0.50 N ATOM 728 CA SER B 2 137.668 1.940 -25.210 1.00 0.49 C ATOM 729 C SER B 2 137.058 1.930 -23.809 1.00 0.47 C ATOM 730 O SER B 2 137.752 1.681 -22.820 1.00 0.63 O ATOM 731 CB SER B 2 139.199 1.986 -25.122 1.00 0.55 C ATOM 732 OG SER B 2 139.792 1.862 -26.404 1.00 0.67 O ATOM 0 H SER B 2 137.111 3.947 -25.472 1.00 0.50 H new ATOM 0 HA SER B 2 137.372 1.022 -25.717 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.511 2.924 -24.664 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.553 1.183 -24.476 1.00 0.55 H new ATOM 0 HG SER B 2 140.768 1.896 -26.318 1.00 0.67 H new ATOM 738 N LEU B 3 135.747 2.172 -23.734 1.00 0.48 N ATOM 739 CA LEU B 3 135.035 2.157 -22.460 1.00 0.55 C ATOM 740 C LEU B 3 134.374 0.791 -22.269 1.00 0.65 C ATOM 741 O LEU B 3 133.251 0.682 -21.773 1.00 1.02 O ATOM 742 CB LEU B 3 133.991 3.283 -22.416 1.00 0.62 C ATOM 743 CG LEU B 3 134.515 4.630 -21.907 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.398 5.295 -22.954 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.358 5.542 -21.525 1.00 0.76 C ATOM 0 H LEU B 3 135.160 2.380 -24.542 1.00 0.48 H new ATOM 0 HA LEU B 3 135.741 2.326 -21.647 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.586 3.423 -23.418 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.164 2.967 -21.780 1.00 0.62 H new ATOM 0 HG LEU B 3 135.119 4.448 -21.018 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.759 6.250 -22.572 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.247 4.649 -23.177 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.821 5.463 -23.863 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.749 6.494 -21.166 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.727 5.714 -22.397 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.768 5.072 -20.738 1.00 0.76 H new ATOM 757 N THR B 4 135.104 -0.249 -22.672 1.00 0.46 N ATOM 758 CA THR B 4 134.648 -1.628 -22.571 1.00 0.55 C ATOM 759 C THR B 4 135.539 -2.400 -21.596 1.00 0.42 C ATOM 760 O THR B 4 136.181 -1.798 -20.738 1.00 0.43 O ATOM 761 CB THR B 4 134.655 -2.286 -23.959 1.00 0.72 C ATOM 762 OG1 THR B 4 135.959 -2.281 -24.522 1.00 0.70 O ATOM 763 CG2 THR B 4 133.718 -1.616 -24.946 1.00 0.90 C ATOM 0 H THR B 4 136.034 -0.154 -23.080 1.00 0.46 H new ATOM 0 HA THR B 4 133.627 -1.644 -22.190 1.00 0.55 H new ATOM 0 HB THR B 4 134.310 -3.306 -23.791 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.936 -2.707 -25.404 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.772 -2.130 -25.906 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.697 -1.661 -24.567 1.00 0.90 H new ATOM 0 HG23 THR B 4 134.011 -0.574 -25.076 1.00 0.90 H new ATOM 771 N TYR B 5 135.553 -3.730 -21.707 1.00 0.50 N ATOM 772 CA TYR B 5 136.346 -4.594 -20.819 1.00 0.45 C ATOM 773 C TYR B 5 137.782 -4.089 -20.608 1.00 0.41 C ATOM 774 O TYR B 5 138.350 -4.286 -19.533 1.00 0.46 O ATOM 775 CB TYR B 5 136.370 -6.024 -21.379 1.00 0.57 C ATOM 776 CG TYR B 5 136.940 -7.063 -20.430 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.297 -7.382 -19.237 1.00 0.69 C ATOM 778 CD2 TYR B 5 138.120 -7.729 -20.736 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.819 -8.334 -18.380 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.646 -8.680 -19.883 1.00 0.92 C ATOM 781 CZ TYR B 5 137.992 -8.979 -18.707 1.00 0.67 C ATOM 782 OH TYR B 5 138.511 -9.928 -17.855 1.00 0.84 O ATOM 0 H TYR B 5 135.019 -4.240 -22.410 1.00 0.50 H new ATOM 0 HA TYR B 5 135.863 -4.576 -19.842 1.00 0.45 H new ATOM 0 HB2 TYR B 5 135.353 -6.313 -21.646 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.955 -6.031 -22.299 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.377 -6.879 -18.977 1.00 0.69 H new ATOM 0 HD2 TYR B 5 138.635 -7.499 -21.657 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.309 -8.571 -17.458 1.00 0.69 H new ATOM 0 HE2 TYR B 5 139.565 -9.187 -20.136 1.00 0.92 H new ATOM 0 HH TYR B 5 139.340 -10.288 -18.233 1.00 0.84 H new ATOM 792 N GLU B 6 138.370 -3.436 -21.617 1.00 0.49 N ATOM 793 CA GLU B 6 139.737 -2.915 -21.493 1.00 0.50 C ATOM 794 C GLU B 6 139.784 -1.654 -20.614 1.00 0.38 C ATOM 795 O GLU B 6 140.860 -1.231 -20.189 1.00 0.44 O ATOM 796 CB GLU B 6 140.326 -2.607 -22.876 1.00 0.62 C ATOM 797 CG GLU B 6 141.040 -3.790 -23.514 1.00 0.68 C ATOM 798 CD GLU B 6 142.051 -3.367 -24.565 1.00 0.83 C ATOM 799 OE1 GLU B 6 143.226 -3.143 -24.204 1.00 1.01 O ATOM 800 OE2 GLU B 6 141.668 -3.262 -25.750 1.00 1.14 O ATOM 0 H GLU B 6 137.927 -3.257 -22.518 1.00 0.49 H new ATOM 0 HA GLU B 6 140.337 -3.688 -21.012 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.525 -2.278 -23.537 1.00 0.62 H new ATOM 0 HB3 GLU B 6 141.026 -1.777 -22.786 1.00 0.62 H new ATOM 0 HG2 GLU B 6 141.547 -4.364 -22.739 1.00 0.68 H new ATOM 0 HG3 GLU B 6 140.303 -4.451 -23.970 1.00 0.68 H new ATOM 807 N GLU B 7 138.613 -1.073 -20.331 1.00 0.32 N ATOM 808 CA GLU B 7 138.523 0.120 -19.494 1.00 0.29 C ATOM 809 C GLU B 7 138.438 -0.257 -18.018 1.00 0.27 C ATOM 810 O GLU B 7 139.089 0.365 -17.177 1.00 0.43 O ATOM 811 CB GLU B 7 137.305 0.964 -19.881 1.00 0.43 C ATOM 812 CG GLU B 7 137.508 2.456 -19.656 1.00 0.57 C ATOM 813 CD GLU B 7 136.785 2.969 -18.427 1.00 0.72 C ATOM 814 OE1 GLU B 7 137.372 2.905 -17.329 1.00 0.80 O ATOM 815 OE2 GLU B 7 135.635 3.437 -18.564 1.00 1.00 O ATOM 0 H GLU B 7 137.714 -1.414 -20.672 1.00 0.32 H new ATOM 0 HA GLU B 7 139.427 0.707 -19.656 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.071 0.791 -20.931 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.443 0.631 -19.303 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.574 2.662 -19.557 1.00 0.57 H new ATOM 0 HG3 GLU B 7 137.158 3.002 -20.532 1.00 0.57 H new ATOM 822 N VAL B 8 137.641 -1.283 -17.707 1.00 0.35 N ATOM 823 CA VAL B 8 137.483 -1.740 -16.330 1.00 0.37 C ATOM 824 C VAL B 8 138.748 -2.442 -15.828 1.00 0.28 C ATOM 825 O VAL B 8 139.103 -2.317 -14.657 1.00 0.40 O ATOM 826 CB VAL B 8 136.256 -2.674 -16.180 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.494 -4.027 -16.834 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.887 -2.843 -14.716 1.00 0.78 C ATOM 0 H VAL B 8 137.098 -1.810 -18.391 1.00 0.35 H new ATOM 0 HA VAL B 8 137.315 -0.855 -15.716 1.00 0.37 H new ATOM 0 HB VAL B 8 135.420 -2.203 -16.698 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.611 -4.653 -16.707 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.690 -3.888 -17.897 1.00 0.44 H new ATOM 0 HG13 VAL B 8 137.352 -4.511 -16.367 1.00 0.44 H new ATOM 0 HG21 VAL B 8 135.023 -3.502 -14.632 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.729 -3.277 -14.176 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.644 -1.871 -14.287 1.00 0.78 H new ATOM 838 N LEU B 9 139.422 -3.179 -16.719 1.00 0.35 N ATOM 839 CA LEU B 9 140.650 -3.896 -16.361 1.00 0.49 C ATOM 840 C LEU B 9 141.675 -2.955 -15.719 1.00 0.52 C ATOM 841 O LEU B 9 142.235 -3.262 -14.664 1.00 0.74 O ATOM 842 CB LEU B 9 141.259 -4.566 -17.601 1.00 0.65 C ATOM 843 CG LEU B 9 140.579 -5.867 -18.038 1.00 0.65 C ATOM 844 CD1 LEU B 9 140.865 -6.156 -19.507 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.037 -7.024 -17.161 1.00 0.76 C ATOM 0 H LEU B 9 139.138 -3.294 -17.692 1.00 0.35 H new ATOM 0 HA LEU B 9 140.387 -4.663 -15.633 1.00 0.49 H new ATOM 0 HB2 LEU B 9 141.224 -3.860 -18.430 1.00 0.65 H new ATOM 0 HB3 LEU B 9 142.311 -4.773 -17.403 1.00 0.65 H new ATOM 0 HG LEU B 9 139.502 -5.751 -17.920 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.373 -7.084 -19.798 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.486 -5.338 -20.119 1.00 0.85 H new ATOM 0 HD13 LEU B 9 141.940 -6.253 -19.656 1.00 0.85 H new ATOM 0 HD21 LEU B 9 140.545 -7.942 -17.483 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.117 -7.141 -17.248 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.777 -6.819 -16.123 1.00 0.76 H new ATOM 857 N GLN B 10 141.909 -1.806 -16.361 1.00 0.41 N ATOM 858 CA GLN B 10 142.860 -0.811 -15.854 1.00 0.48 C ATOM 859 C GLN B 10 142.360 -0.154 -14.561 1.00 0.42 C ATOM 860 O GLN B 10 143.156 0.380 -13.789 1.00 0.48 O ATOM 861 CB GLN B 10 143.123 0.263 -16.915 1.00 0.58 C ATOM 862 CG GLN B 10 144.272 -0.074 -17.853 1.00 0.66 C ATOM 863 CD GLN B 10 145.627 0.276 -17.264 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.095 -0.375 -16.330 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.266 1.309 -17.806 1.00 0.83 N ATOM 0 H GLN B 10 141.452 -1.542 -17.234 1.00 0.41 H new ATOM 0 HA GLN B 10 143.790 -1.333 -15.628 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.217 0.410 -17.503 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.337 1.209 -16.417 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.245 -1.138 -18.087 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.139 0.462 -18.793 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.842 1.822 -18.579 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.180 1.588 -17.448 1.00 0.83 H new ATOM 874 N GLU B 11 141.048 -0.218 -14.318 1.00 0.40 N ATOM 875 CA GLU B 11 140.457 0.350 -13.104 1.00 0.42 C ATOM 876 C GLU B 11 140.538 -0.653 -11.949 1.00 0.37 C ATOM 877 O GLU B 11 140.712 -0.268 -10.793 1.00 0.54 O ATOM 878 CB GLU B 11 138.996 0.748 -13.351 1.00 0.48 C ATOM 879 CG GLU B 11 138.835 1.930 -14.297 1.00 0.62 C ATOM 880 CD GLU B 11 137.706 2.864 -13.894 1.00 0.99 C ATOM 881 OE1 GLU B 11 137.810 3.496 -12.823 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.720 2.965 -14.652 1.00 1.61 O ATOM 0 H GLU B 11 140.375 -0.658 -14.946 1.00 0.40 H new ATOM 0 HA GLU B 11 141.022 1.242 -12.835 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.459 -0.108 -13.759 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.529 0.991 -12.397 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.769 2.491 -14.331 1.00 0.62 H new ATOM 0 HG3 GLU B 11 138.650 1.559 -15.305 1.00 0.62 H new ATOM 889 N LEU B 12 140.430 -1.942 -12.284 1.00 0.32 N ATOM 890 CA LEU B 12 140.510 -3.008 -11.291 1.00 0.30 C ATOM 891 C LEU B 12 141.897 -3.014 -10.650 1.00 0.28 C ATOM 892 O LEU B 12 142.027 -2.863 -9.435 1.00 0.36 O ATOM 893 CB LEU B 12 140.200 -4.367 -11.934 1.00 0.32 C ATOM 894 CG LEU B 12 139.681 -5.448 -10.978 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.774 -5.875 -10.007 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.451 -4.957 -10.224 1.00 0.54 C ATOM 0 H LEU B 12 140.287 -2.269 -13.239 1.00 0.32 H new ATOM 0 HA LEU B 12 139.767 -2.827 -10.515 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.460 -4.217 -12.720 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.106 -4.737 -12.415 1.00 0.32 H new ATOM 0 HG LEU B 12 139.392 -6.316 -11.570 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.386 -6.642 -9.337 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.621 -6.275 -10.565 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.098 -5.014 -9.423 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.100 -5.740 -9.552 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.709 -4.070 -9.645 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.663 -4.709 -10.935 1.00 0.54 H new ATOM 908 N VAL B 13 142.930 -3.177 -11.481 1.00 0.25 N ATOM 909 CA VAL B 13 144.311 -3.187 -11.002 1.00 0.26 C ATOM 910 C VAL B 13 144.620 -1.922 -10.192 1.00 0.22 C ATOM 911 O VAL B 13 145.106 -2.014 -9.065 1.00 0.26 O ATOM 912 CB VAL B 13 145.323 -3.332 -12.166 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.117 -2.257 -13.227 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.753 -3.303 -11.644 1.00 0.52 C ATOM 0 H VAL B 13 142.834 -3.304 -12.489 1.00 0.25 H new ATOM 0 HA VAL B 13 144.417 -4.056 -10.353 1.00 0.26 H new ATOM 0 HB VAL B 13 145.145 -4.299 -12.637 1.00 0.33 H new ATOM 0 HG11 VAL B 13 145.845 -2.391 -14.027 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.110 -2.337 -13.636 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.249 -1.273 -12.778 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.447 -3.406 -12.478 1.00 0.52 H new ATOM 0 HG22 VAL B 13 146.935 -2.356 -11.135 1.00 0.52 H new ATOM 0 HG23 VAL B 13 146.902 -4.125 -10.944 1.00 0.52 H new ATOM 924 N LYS B 14 144.347 -0.746 -10.774 1.00 0.24 N ATOM 925 CA LYS B 14 144.601 0.536 -10.109 1.00 0.25 C ATOM 926 C LYS B 14 143.971 0.596 -8.714 1.00 0.22 C ATOM 927 O LYS B 14 144.557 1.167 -7.793 1.00 0.29 O ATOM 928 CB LYS B 14 144.072 1.689 -10.970 1.00 0.34 C ATOM 929 CG LYS B 14 144.792 3.009 -10.736 1.00 0.87 C ATOM 930 CD LYS B 14 144.562 3.987 -11.881 1.00 0.75 C ATOM 931 CE LYS B 14 144.748 5.428 -11.429 1.00 0.70 C ATOM 932 NZ LYS B 14 144.618 6.398 -12.556 1.00 0.72 N ATOM 0 H LYS B 14 143.948 -0.658 -11.709 1.00 0.24 H new ATOM 0 HA LYS B 14 145.680 0.632 -9.988 1.00 0.25 H new ATOM 0 HB2 LYS B 14 144.164 1.417 -12.022 1.00 0.34 H new ATOM 0 HB3 LYS B 14 143.010 1.824 -10.767 1.00 0.34 H new ATOM 0 HG2 LYS B 14 144.444 3.453 -9.803 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.861 2.826 -10.623 1.00 0.87 H new ATOM 0 HD2 LYS B 14 145.255 3.767 -12.693 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.555 3.856 -12.276 1.00 0.75 H new ATOM 0 HE2 LYS B 14 144.010 5.664 -10.663 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.730 5.538 -10.970 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.752 7.365 -12.199 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 145.339 6.192 -13.277 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.672 6.314 -12.979 1.00 0.72 H new ATOM 946 N HIS B 15 142.784 -0.001 -8.558 1.00 0.24 N ATOM 947 CA HIS B 15 142.099 -0.016 -7.264 1.00 0.27 C ATOM 948 C HIS B 15 142.875 -0.864 -6.257 1.00 0.25 C ATOM 949 O HIS B 15 142.909 -0.550 -5.065 1.00 0.45 O ATOM 950 CB HIS B 15 140.672 -0.557 -7.409 1.00 0.33 C ATOM 951 CG HIS B 15 139.687 0.461 -7.894 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.345 0.421 -7.578 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.851 1.545 -8.689 1.00 0.74 C ATOM 954 CE1 HIS B 15 137.727 1.432 -8.162 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.619 2.129 -8.840 1.00 0.76 N ATOM 0 H HIS B 15 142.282 -0.477 -9.307 1.00 0.24 H new ATOM 0 HA HIS B 15 142.048 1.010 -6.899 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.681 -1.399 -8.101 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.339 -0.941 -6.445 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.779 1.886 -9.123 1.00 0.74 H new ATOM 0 HE1 HIS B 15 136.671 1.651 -8.096 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.424 2.967 -9.388 1.00 0.76 H new ATOM 964 N LYS B 16 143.510 -1.931 -6.750 1.00 0.21 N ATOM 965 CA LYS B 16 144.303 -2.819 -5.905 1.00 0.27 C ATOM 966 C LYS B 16 145.662 -2.187 -5.595 1.00 0.36 C ATOM 967 O LYS B 16 146.138 -2.249 -4.460 1.00 0.69 O ATOM 968 CB LYS B 16 144.499 -4.180 -6.586 1.00 0.35 C ATOM 969 CG LYS B 16 143.232 -5.025 -6.647 1.00 0.46 C ATOM 970 CD LYS B 16 143.452 -6.329 -7.405 1.00 0.49 C ATOM 971 CE LYS B 16 144.175 -7.365 -6.555 1.00 0.53 C ATOM 972 NZ LYS B 16 145.548 -7.641 -7.062 1.00 0.61 N ATOM 0 H LYS B 16 143.488 -2.199 -7.734 1.00 0.21 H new ATOM 0 HA LYS B 16 143.764 -2.972 -4.970 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.867 -4.019 -7.599 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.270 -4.736 -6.052 1.00 0.35 H new ATOM 0 HG2 LYS B 16 142.895 -5.247 -5.634 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.438 -4.454 -7.130 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.490 -6.729 -7.725 1.00 0.49 H new ATOM 0 HD3 LYS B 16 144.031 -6.131 -8.307 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.233 -7.013 -5.525 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.600 -8.291 -6.544 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 146.006 -8.351 -6.456 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.492 -8.001 -8.036 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 146.106 -6.763 -7.049 1.00 0.61 H new ATOM 986 N GLU B 17 146.276 -1.571 -6.615 1.00 0.30 N ATOM 987 CA GLU B 17 147.575 -0.918 -6.452 1.00 0.38 C ATOM 988 C GLU B 17 147.479 0.187 -5.402 1.00 0.32 C ATOM 989 O GLU B 17 148.168 0.140 -4.387 1.00 0.40 O ATOM 990 CB GLU B 17 148.056 -0.349 -7.794 1.00 0.51 C ATOM 991 CG GLU B 17 149.305 0.516 -7.693 1.00 0.80 C ATOM 992 CD GLU B 17 149.144 1.857 -8.382 1.00 1.10 C ATOM 993 OE1 GLU B 17 148.403 2.713 -7.851 1.00 1.49 O ATOM 994 OE2 GLU B 17 149.758 2.053 -9.451 1.00 1.47 O ATOM 0 H GLU B 17 145.892 -1.513 -7.558 1.00 0.30 H new ATOM 0 HA GLU B 17 148.301 -1.656 -6.112 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.254 -1.176 -8.476 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.253 0.242 -8.234 1.00 0.51 H new ATOM 0 HG2 GLU B 17 149.546 0.678 -6.642 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.148 -0.016 -8.135 1.00 0.80 H new ATOM 1001 N LEU B 18 146.633 1.187 -5.665 1.00 0.32 N ATOM 1002 CA LEU B 18 146.444 2.318 -4.750 1.00 0.34 C ATOM 1003 C LEU B 18 146.393 1.866 -3.285 1.00 0.35 C ATOM 1004 O LEU B 18 146.992 2.501 -2.417 1.00 0.66 O ATOM 1005 CB LEU B 18 145.156 3.069 -5.107 1.00 0.51 C ATOM 1006 CG LEU B 18 145.290 4.083 -6.248 1.00 0.64 C ATOM 1007 CD1 LEU B 18 143.943 4.324 -6.913 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.875 5.393 -5.737 1.00 0.75 C ATOM 0 H LEU B 18 146.064 1.237 -6.510 1.00 0.32 H new ATOM 0 HA LEU B 18 147.302 2.981 -4.863 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.392 2.340 -5.377 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.799 3.590 -4.219 1.00 0.51 H new ATOM 0 HG LEU B 18 145.971 3.670 -6.992 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.060 5.047 -7.720 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.564 3.386 -7.318 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.238 4.712 -6.178 1.00 0.81 H new ATOM 0 HD21 LEU B 18 145.962 6.099 -6.563 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.221 5.809 -4.971 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.861 5.209 -5.311 1.00 0.75 H new ATOM 1020 N LEU B 19 145.682 0.765 -3.015 1.00 0.45 N ATOM 1021 CA LEU B 19 145.568 0.235 -1.655 1.00 0.47 C ATOM 1022 C LEU B 19 146.916 -0.284 -1.145 1.00 0.33 C ATOM 1023 O LEU B 19 147.230 -0.147 0.039 1.00 0.45 O ATOM 1024 CB LEU B 19 144.527 -0.889 -1.603 1.00 0.63 C ATOM 1025 CG LEU B 19 143.132 -0.462 -1.140 1.00 0.81 C ATOM 1026 CD1 LEU B 19 142.061 -1.271 -1.858 1.00 0.95 C ATOM 1027 CD2 LEU B 19 143.002 -0.616 0.370 1.00 0.96 C ATOM 0 H LEU B 19 145.179 0.226 -3.720 1.00 0.45 H new ATOM 0 HA LEU B 19 145.247 1.052 -1.008 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.444 -1.332 -2.595 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.891 -1.670 -0.935 1.00 0.63 H new ATOM 0 HG LEU B 19 142.991 0.589 -1.390 1.00 0.81 H new ATOM 0 HD11 LEU B 19 141.076 -0.954 -1.517 1.00 0.95 H new ATOM 0 HD12 LEU B 19 142.142 -1.109 -2.933 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.197 -2.330 -1.640 1.00 0.95 H new ATOM 0 HD21 LEU B 19 142.004 -0.308 0.683 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.163 -1.659 0.645 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.746 0.008 0.865 1.00 0.96 H new ATOM 1039 N ARG B 20 147.711 -0.870 -2.048 1.00 0.35 N ATOM 1040 CA ARG B 20 149.028 -1.398 -1.692 1.00 0.49 C ATOM 1041 C ARG B 20 149.944 -0.281 -1.202 1.00 0.40 C ATOM 1042 O ARG B 20 150.413 -0.319 -0.064 1.00 0.49 O ATOM 1043 CB ARG B 20 149.669 -2.120 -2.883 1.00 0.76 C ATOM 1044 CG ARG B 20 149.107 -3.512 -3.132 1.00 0.85 C ATOM 1045 CD ARG B 20 150.200 -4.570 -3.108 1.00 0.96 C ATOM 1046 NE ARG B 20 149.875 -5.677 -2.206 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.729 -6.213 -1.324 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.973 -5.752 -1.208 1.00 1.68 N ATOM 1049 NH2 ARG B 20 150.332 -7.220 -0.553 1.00 1.59 N ATOM 0 H ARG B 20 147.463 -0.989 -3.030 1.00 0.35 H new ATOM 0 HA ARG B 20 148.891 -2.117 -0.884 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.530 -1.516 -3.780 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.743 -2.197 -2.714 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.359 -3.744 -2.374 1.00 0.85 H new ATOM 0 HG3 ARG B 20 148.600 -3.533 -4.097 1.00 0.85 H new ATOM 0 HD2 ARG B 20 150.352 -4.957 -4.116 1.00 0.96 H new ATOM 0 HD3 ARG B 20 151.139 -4.113 -2.797 1.00 0.96 H new ATOM 0 HE ARG B 20 148.934 -6.067 -2.253 1.00 1.06 H new ATOM 0 HH11 ARG B 20 152.288 -4.980 -1.796 1.00 1.68 H new ATOM 0 HH12 ARG B 20 152.611 -6.171 -0.532 1.00 1.68 H new ATOM 0 HH21 ARG B 20 149.381 -7.581 -0.635 1.00 1.59 H new ATOM 0 HH22 ARG B 20 150.978 -7.632 0.120 1.00 1.59 H new ATOM 1063 N ARG B 21 150.193 0.719 -2.059 1.00 0.35 N ATOM 1064 CA ARG B 21 151.048 1.845 -1.691 1.00 0.35 C ATOM 1065 C ARG B 21 150.525 2.537 -0.432 1.00 0.34 C ATOM 1066 O ARG B 21 151.309 2.974 0.410 1.00 0.47 O ATOM 1067 CB ARG B 21 151.141 2.845 -2.845 1.00 0.45 C ATOM 1068 CG ARG B 21 152.254 3.867 -2.677 1.00 0.70 C ATOM 1069 CD ARG B 21 151.927 5.164 -3.396 1.00 0.98 C ATOM 1070 NE ARG B 21 152.926 6.202 -3.145 1.00 0.97 N ATOM 1071 CZ ARG B 21 153.035 7.320 -3.867 1.00 1.25 C ATOM 1072 NH1 ARG B 21 152.214 7.546 -4.890 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.969 8.216 -3.564 1.00 1.53 N ATOM 0 H ARG B 21 149.815 0.767 -3.005 1.00 0.35 H new ATOM 0 HA ARG B 21 152.045 1.459 -1.481 1.00 0.35 H new ATOM 0 HB2 ARG B 21 151.298 2.299 -3.776 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.190 3.369 -2.939 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.410 4.066 -1.617 1.00 0.70 H new ATOM 0 HG3 ARG B 21 153.187 3.459 -3.066 1.00 0.70 H new ATOM 0 HD2 ARG B 21 151.862 4.977 -4.468 1.00 0.98 H new ATOM 0 HD3 ARG B 21 150.948 5.519 -3.074 1.00 0.98 H new ATOM 0 HE ARG B 21 153.578 6.064 -2.373 1.00 0.97 H new ATOM 0 HH11 ARG B 21 151.495 6.863 -5.127 1.00 2.12 H new ATOM 0 HH12 ARG B 21 152.304 8.403 -5.436 1.00 2.12 H new ATOM 0 HH21 ARG B 21 154.601 8.049 -2.781 1.00 1.53 H new ATOM 0 HH22 ARG B 21 154.054 9.071 -4.114 1.00 1.53 H new ATOM 1087 N LYS B 22 149.197 2.620 -0.301 1.00 0.30 N ATOM 1088 CA LYS B 22 148.579 3.236 0.871 1.00 0.36 C ATOM 1089 C LYS B 22 149.099 2.559 2.131 1.00 0.31 C ATOM 1090 O LYS B 22 149.620 3.219 3.031 1.00 0.36 O ATOM 1091 CB LYS B 22 147.050 3.132 0.811 1.00 0.47 C ATOM 1092 CG LYS B 22 146.348 4.480 0.855 1.00 0.69 C ATOM 1093 CD LYS B 22 144.914 4.383 0.354 1.00 0.86 C ATOM 1094 CE LYS B 22 143.939 4.095 1.488 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.696 5.295 2.338 1.00 0.70 N ATOM 0 H LYS B 22 148.534 2.269 -0.992 1.00 0.30 H new ATOM 0 HA LYS B 22 148.842 4.294 0.886 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.765 2.612 -0.104 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.702 2.523 1.645 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.352 4.859 1.877 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.899 5.197 0.247 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.636 5.316 -0.137 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.843 3.595 -0.396 1.00 0.86 H new ATOM 0 HE2 LYS B 22 142.993 3.748 1.072 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.331 3.287 2.106 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.906 5.106 2.988 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.552 5.510 2.887 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 143.460 6.107 1.733 1.00 0.70 H new ATOM 1109 N ASP B 23 148.972 1.229 2.176 1.00 0.32 N ATOM 1110 CA ASP B 23 149.450 0.453 3.313 1.00 0.32 C ATOM 1111 C ASP B 23 150.966 0.596 3.471 1.00 0.30 C ATOM 1112 O ASP B 23 151.491 0.468 4.578 1.00 0.37 O ATOM 1113 CB ASP B 23 149.076 -1.027 3.160 1.00 0.36 C ATOM 1114 CG ASP B 23 148.337 -1.561 4.371 1.00 0.75 C ATOM 1115 OD1 ASP B 23 149.006 -1.947 5.352 1.00 1.11 O ATOM 1116 OD2 ASP B 23 147.089 -1.588 4.340 1.00 1.15 O ATOM 0 H ASP B 23 148.542 0.673 1.437 1.00 0.32 H new ATOM 0 HA ASP B 23 148.967 0.844 4.209 1.00 0.32 H new ATOM 0 HB2 ASP B 23 148.455 -1.153 2.273 1.00 0.36 H new ATOM 0 HB3 ASP B 23 149.981 -1.614 3.001 1.00 0.36 H new ATOM 1121 N THR B 24 151.672 0.864 2.364 1.00 0.28 N ATOM 1122 CA THR B 24 153.120 1.019 2.434 1.00 0.29 C ATOM 1123 C THR B 24 153.462 2.259 3.254 1.00 0.27 C ATOM 1124 O THR B 24 154.118 2.146 4.289 1.00 0.32 O ATOM 1125 CB THR B 24 153.740 1.117 1.030 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.617 -0.115 0.340 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.212 1.487 1.048 1.00 0.55 C ATOM 0 H THR B 24 151.270 0.975 1.433 1.00 0.28 H new ATOM 0 HA THR B 24 153.539 0.137 2.919 1.00 0.29 H new ATOM 0 HB THR B 24 153.188 1.910 0.526 1.00 0.32 H new ATOM 0 HG1 THR B 24 152.672 -0.287 0.143 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.587 1.539 0.026 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.338 2.456 1.530 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.770 0.732 1.601 1.00 0.55 H new ATOM 1135 N HIS B 25 153.048 3.447 2.779 1.00 0.26 N ATOM 1136 CA HIS B 25 153.346 4.712 3.466 1.00 0.29 C ATOM 1137 C HIS B 25 153.201 4.630 4.987 1.00 0.31 C ATOM 1138 O HIS B 25 154.111 5.028 5.711 1.00 0.41 O ATOM 1139 CB HIS B 25 152.453 5.833 2.923 1.00 0.34 C ATOM 1140 CG HIS B 25 153.216 6.898 2.196 1.00 0.34 C ATOM 1141 ND1 HIS B 25 154.249 7.607 2.773 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.099 7.369 0.933 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.734 8.467 1.896 1.00 0.72 C ATOM 1144 NE2 HIS B 25 154.054 8.343 0.772 1.00 0.74 N ATOM 0 H HIS B 25 152.506 3.555 1.922 1.00 0.26 H new ATOM 0 HA HIS B 25 154.394 4.930 3.261 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.711 5.403 2.250 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.908 6.287 3.750 1.00 0.34 H new ATOM 0 HD2 HIS B 25 152.387 7.040 0.190 1.00 0.94 H new ATOM 0 HE1 HIS B 25 155.549 9.155 2.069 1.00 0.72 H new ATOM 0 HE2 HIS B 25 154.212 8.883 -0.079 1.00 0.74 H new ATOM 1153 N ILE B 26 152.060 4.131 5.474 1.00 0.29 N ATOM 1154 CA ILE B 26 151.830 4.024 6.922 1.00 0.35 C ATOM 1155 C ILE B 26 152.950 3.243 7.626 1.00 0.35 C ATOM 1156 O ILE B 26 153.200 3.447 8.816 1.00 0.47 O ATOM 1157 CB ILE B 26 150.469 3.367 7.253 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.357 1.987 6.598 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.323 4.267 6.807 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.262 1.118 7.184 1.00 0.68 C ATOM 0 H ILE B 26 151.288 3.798 4.896 1.00 0.29 H new ATOM 0 HA ILE B 26 151.823 5.048 7.294 1.00 0.35 H new ATOM 0 HB ILE B 26 150.406 3.235 8.333 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.174 2.115 5.531 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.311 1.469 6.698 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.372 3.791 7.047 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.390 5.224 7.324 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.386 4.430 5.731 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.245 0.158 6.669 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.454 0.957 8.245 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.299 1.613 7.060 1.00 0.68 H new ATOM 1172 N ARG B 27 153.631 2.366 6.883 1.00 0.31 N ATOM 1173 CA ARG B 27 154.731 1.571 7.432 1.00 0.37 C ATOM 1174 C ARG B 27 156.070 2.307 7.302 1.00 0.34 C ATOM 1175 O ARG B 27 156.895 2.261 8.215 1.00 0.39 O ATOM 1176 CB ARG B 27 154.809 0.210 6.732 1.00 0.46 C ATOM 1177 CG ARG B 27 155.288 -0.917 7.635 1.00 0.53 C ATOM 1178 CD ARG B 27 156.634 -1.465 7.184 1.00 0.80 C ATOM 1179 NE ARG B 27 156.531 -2.229 5.941 1.00 0.90 N ATOM 1180 CZ ARG B 27 157.499 -3.013 5.463 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.654 -3.134 6.113 1.00 1.21 N ATOM 1182 NH2 ARG B 27 157.311 -3.680 4.329 1.00 1.67 N ATOM 0 H ARG B 27 153.438 2.189 5.897 1.00 0.31 H new ATOM 0 HA ARG B 27 154.531 1.415 8.492 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.824 -0.044 6.341 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.481 0.289 5.877 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.368 -0.554 8.660 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.551 -1.720 7.638 1.00 0.53 H new ATOM 0 HD2 ARG B 27 157.332 -0.640 7.044 1.00 0.80 H new ATOM 0 HD3 ARG B 27 157.046 -2.102 7.967 1.00 0.80 H new ATOM 0 HE ARG B 27 155.665 -2.158 5.406 1.00 0.90 H new ATOM 0 HH11 ARG B 27 158.805 -2.625 6.984 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.388 -3.736 5.740 1.00 1.21 H new ATOM 0 HH21 ARG B 27 156.428 -3.592 3.826 1.00 1.67 H new ATOM 0 HH22 ARG B 27 158.050 -4.280 3.962 1.00 1.67 H new ATOM 1196 N GLU B 28 156.281 2.986 6.166 1.00 0.33 N ATOM 1197 CA GLU B 28 157.523 3.732 5.931 1.00 0.36 C ATOM 1198 C GLU B 28 157.606 4.956 6.846 1.00 0.35 C ATOM 1199 O GLU B 28 158.675 5.271 7.374 1.00 0.44 O ATOM 1200 CB GLU B 28 157.632 4.153 4.458 1.00 0.47 C ATOM 1201 CG GLU B 28 156.842 5.407 4.109 1.00 0.78 C ATOM 1202 CD GLU B 28 156.909 5.756 2.635 1.00 1.17 C ATOM 1203 OE1 GLU B 28 156.246 5.069 1.829 1.00 1.62 O ATOM 1204 OE2 GLU B 28 157.621 6.721 2.287 1.00 1.79 O ATOM 0 H GLU B 28 155.610 3.034 5.399 1.00 0.33 H new ATOM 0 HA GLU B 28 158.361 3.075 6.165 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.682 4.319 4.216 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.286 3.332 3.830 1.00 0.47 H new ATOM 0 HG2 GLU B 28 155.800 5.266 4.397 1.00 0.78 H new ATOM 0 HG3 GLU B 28 157.223 6.245 4.693 1.00 0.78 H new ATOM 1211 N LEU B 29 156.465 5.621 7.054 1.00 0.33 N ATOM 1212 CA LEU B 29 156.405 6.787 7.933 1.00 0.38 C ATOM 1213 C LEU B 29 156.470 6.356 9.406 1.00 0.42 C ATOM 1214 O LEU B 29 156.640 7.190 10.298 1.00 0.79 O ATOM 1215 CB LEU B 29 155.133 7.598 7.669 1.00 0.46 C ATOM 1216 CG LEU B 29 155.374 9.069 7.315 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.420 9.261 5.804 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.305 9.956 7.940 1.00 0.59 C ATOM 0 H LEU B 29 155.574 5.370 6.626 1.00 0.33 H new ATOM 0 HA LEU B 29 157.266 7.420 7.720 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.581 7.128 6.855 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.498 7.551 8.554 1.00 0.46 H new ATOM 0 HG LEU B 29 156.341 9.363 7.723 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.592 10.313 5.576 1.00 0.82 H new ATOM 0 HD12 LEU B 29 156.229 8.662 5.386 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.472 8.946 5.368 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.495 10.996 7.676 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.324 9.661 7.568 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.330 9.847 9.024 1.00 0.59 H new ATOM 1230 N GLU B 30 156.380 5.040 9.642 1.00 0.43 N ATOM 1231 CA GLU B 30 156.472 4.487 10.987 1.00 0.45 C ATOM 1232 C GLU B 30 157.931 4.488 11.445 1.00 0.44 C ATOM 1233 O GLU B 30 158.220 4.682 12.627 1.00 0.58 O ATOM 1234 CB GLU B 30 155.897 3.068 11.033 1.00 0.51 C ATOM 1235 CG GLU B 30 154.610 2.961 11.837 1.00 0.58 C ATOM 1236 CD GLU B 30 154.849 3.023 13.335 1.00 0.93 C ATOM 1237 OE1 GLU B 30 155.083 4.135 13.854 1.00 1.35 O ATOM 1238 OE2 GLU B 30 154.801 1.960 13.988 1.00 1.26 O ATOM 0 H GLU B 30 156.243 4.342 8.911 1.00 0.43 H new ATOM 0 HA GLU B 30 155.885 5.109 11.663 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.709 2.727 10.015 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.641 2.397 11.462 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.937 3.768 11.547 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.110 2.024 11.591 1.00 0.58 H new ATOM 1245 N ASP B 31 158.847 4.322 10.484 1.00 0.41 N ATOM 1246 CA ASP B 31 160.280 4.350 10.760 1.00 0.55 C ATOM 1247 C ASP B 31 160.785 5.794 10.695 1.00 0.57 C ATOM 1248 O ASP B 31 161.705 6.179 11.420 1.00 0.76 O ATOM 1249 CB ASP B 31 161.039 3.482 9.755 1.00 0.69 C ATOM 1250 CG ASP B 31 162.456 3.183 10.206 1.00 1.28 C ATOM 1251 OD1 ASP B 31 162.638 2.232 10.993 1.00 1.74 O ATOM 1252 OD2 ASP B 31 163.381 3.904 9.774 1.00 1.66 O ATOM 0 H ASP B 31 158.615 4.166 9.503 1.00 0.41 H new ATOM 0 HA ASP B 31 160.455 3.949 11.759 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.501 2.545 9.609 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.067 3.988 8.790 1.00 0.69 H new ATOM 1257 N TYR B 32 160.145 6.588 9.828 1.00 0.49 N ATOM 1258 CA TYR B 32 160.487 7.998 9.667 1.00 0.56 C ATOM 1259 C TYR B 32 160.273 8.736 10.987 1.00 0.56 C ATOM 1260 O TYR B 32 161.068 9.598 11.367 1.00 0.67 O ATOM 1261 CB TYR B 32 159.644 8.639 8.560 1.00 0.60 C ATOM 1262 CG TYR B 32 160.251 8.503 7.181 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.561 8.898 6.937 1.00 1.15 C ATOM 1264 CD2 TYR B 32 159.517 7.979 6.124 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.121 8.775 5.681 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.070 7.853 4.864 1.00 1.17 C ATOM 1267 CZ TYR B 32 161.372 8.253 4.648 1.00 1.21 C ATOM 1268 OH TYR B 32 161.927 8.129 3.395 1.00 1.53 O ATOM 0 H TYR B 32 159.384 6.272 9.226 1.00 0.49 H new ATOM 0 HA TYR B 32 161.536 8.071 9.381 1.00 0.56 H new ATOM 0 HB2 TYR B 32 158.654 8.183 8.559 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.508 9.697 8.785 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.151 9.308 7.743 1.00 1.15 H new ATOM 0 HD2 TYR B 32 158.497 7.665 6.290 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.141 9.086 5.509 1.00 1.37 H new ATOM 0 HE2 TYR B 32 159.486 7.444 4.053 1.00 1.17 H new ATOM 0 HH TYR B 32 161.267 7.743 2.782 1.00 1.53 H new ATOM 1278 N ILE B 33 159.198 8.368 11.690 1.00 0.54 N ATOM 1279 CA ILE B 33 158.873 8.965 12.980 1.00 0.64 C ATOM 1280 C ILE B 33 159.701 8.326 14.097 1.00 0.58 C ATOM 1281 O ILE B 33 160.129 9.014 15.024 1.00 0.78 O ATOM 1282 CB ILE B 33 157.368 8.817 13.307 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.523 9.568 12.273 1.00 0.84 C ATOM 1284 CG2 ILE B 33 157.067 9.324 14.713 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.106 9.051 12.156 1.00 0.87 C ATOM 0 H ILE B 33 158.537 7.655 11.381 1.00 0.54 H new ATOM 0 HA ILE B 33 159.113 10.026 12.915 1.00 0.64 H new ATOM 0 HB ILE B 33 157.110 7.759 13.266 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.494 10.625 12.538 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.008 9.497 11.299 1.00 0.84 H new ATOM 0 HG21 ILE B 33 156.003 9.210 14.921 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.642 8.748 15.438 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.340 10.377 14.786 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.568 9.630 11.406 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.125 8.002 11.860 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.603 9.147 13.118 1.00 0.87 H new ATOM 1297 N ASP B 34 159.906 7.002 14.003 1.00 0.46 N ATOM 1298 CA ASP B 34 160.670 6.243 15.005 1.00 0.50 C ATOM 1299 C ASP B 34 161.891 7.013 15.516 1.00 0.40 C ATOM 1300 O ASP B 34 162.194 6.962 16.699 1.00 0.45 O ATOM 1301 CB ASP B 34 161.114 4.893 14.430 1.00 0.69 C ATOM 1302 CG ASP B 34 160.479 3.720 15.154 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.714 3.575 16.373 1.00 1.46 O ATOM 1304 OD2 ASP B 34 159.746 2.948 14.501 1.00 1.34 O ATOM 0 H ASP B 34 159.550 6.432 13.236 1.00 0.46 H new ATOM 0 HA ASP B 34 160.004 6.081 15.853 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.854 4.848 13.373 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.199 4.812 14.495 1.00 0.69 H new ATOM 1309 N ASN B 35 162.583 7.717 14.615 1.00 0.52 N ATOM 1310 CA ASN B 35 163.774 8.501 14.971 1.00 0.58 C ATOM 1311 C ASN B 35 163.633 9.146 16.356 1.00 0.49 C ATOM 1312 O ASN B 35 164.574 9.132 17.150 1.00 0.61 O ATOM 1313 CB ASN B 35 164.035 9.581 13.915 1.00 0.78 C ATOM 1314 CG ASN B 35 165.168 9.209 12.975 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.272 9.745 13.074 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.900 8.287 12.055 1.00 1.31 N ATOM 0 H ASN B 35 162.338 7.761 13.626 1.00 0.52 H new ATOM 0 HA ASN B 35 164.621 7.816 15.004 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.126 9.747 13.337 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.273 10.522 14.412 1.00 0.78 H new ATOM 0 HD21 ASN B 35 165.623 7.999 11.396 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.971 7.868 12.008 1.00 1.31 H new ATOM 1323 N LEU B 36 162.447 9.691 16.645 1.00 0.44 N ATOM 1324 CA LEU B 36 162.181 10.316 17.942 1.00 0.51 C ATOM 1325 C LEU B 36 162.210 9.262 19.053 1.00 0.47 C ATOM 1326 O LEU B 36 162.910 9.423 20.054 1.00 0.59 O ATOM 1327 CB LEU B 36 160.823 11.030 17.931 1.00 0.71 C ATOM 1328 CG LEU B 36 160.596 11.997 16.763 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.108 12.223 16.538 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.306 13.320 17.018 1.00 1.64 C ATOM 0 H LEU B 36 161.658 9.711 15.999 1.00 0.44 H new ATOM 0 HA LEU B 36 162.959 11.055 18.133 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.036 10.276 17.914 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.715 11.583 18.864 1.00 0.71 H new ATOM 0 HG LEU B 36 161.016 11.551 15.861 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.966 12.912 15.705 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.626 11.273 16.309 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.664 12.647 17.439 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.133 13.993 16.178 1.00 1.64 H new ATOM 0 HD22 LEU B 36 160.917 13.771 17.931 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.376 13.143 17.128 1.00 1.64 H new ATOM 1342 N LEU B 37 161.455 8.177 18.857 1.00 0.41 N ATOM 1343 CA LEU B 37 161.398 7.080 19.823 1.00 0.48 C ATOM 1344 C LEU B 37 162.039 5.815 19.237 1.00 0.41 C ATOM 1345 O LEU B 37 161.384 4.780 19.096 1.00 0.54 O ATOM 1346 CB LEU B 37 159.943 6.802 20.227 1.00 0.65 C ATOM 1347 CG LEU B 37 158.983 6.521 19.064 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.047 5.369 19.405 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.189 7.772 18.713 1.00 0.69 C ATOM 0 H LEU B 37 160.872 8.036 18.032 1.00 0.41 H new ATOM 0 HA LEU B 37 161.958 7.371 20.712 1.00 0.48 H new ATOM 0 HB2 LEU B 37 159.928 5.948 20.904 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.568 7.659 20.787 1.00 0.65 H new ATOM 0 HG LEU B 37 159.574 6.234 18.194 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.375 5.186 18.567 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.632 4.471 19.603 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.463 5.624 20.289 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.513 7.554 17.886 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.610 8.091 19.580 1.00 0.69 H new ATOM 0 HD23 LEU B 37 158.874 8.568 18.421 1.00 0.69 H new ATOM 1361 N VAL B 38 163.324 5.913 18.883 1.00 0.36 N ATOM 1362 CA VAL B 38 164.059 4.794 18.288 1.00 0.49 C ATOM 1363 C VAL B 38 163.866 3.498 19.084 1.00 0.67 C ATOM 1364 O VAL B 38 163.600 3.528 20.286 1.00 1.35 O ATOM 1365 CB VAL B 38 165.572 5.111 18.178 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.351 3.908 17.659 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.801 6.322 17.283 1.00 0.89 C ATOM 0 H VAL B 38 163.879 6.761 18.999 1.00 0.36 H new ATOM 0 HA VAL B 38 163.651 4.650 17.288 1.00 0.49 H new ATOM 0 HB VAL B 38 165.939 5.343 19.178 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.409 4.161 17.593 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.221 3.068 18.342 1.00 1.31 H new ATOM 0 HG13 VAL B 38 165.981 3.633 16.671 1.00 1.31 H new ATOM 0 HG21 VAL B 38 166.869 6.529 17.218 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.410 6.117 16.287 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.288 7.187 17.703 1.00 0.89 H new ATOM 1377 N ARG B 39 163.984 2.371 18.372 1.00 0.54 N ATOM 1378 CA ARG B 39 163.811 1.035 18.955 1.00 0.62 C ATOM 1379 C ARG B 39 164.708 0.823 20.179 1.00 0.51 C ATOM 1380 O ARG B 39 165.787 0.234 20.080 1.00 0.63 O ATOM 1381 CB ARG B 39 164.096 -0.041 17.901 1.00 0.93 C ATOM 1382 CG ARG B 39 162.881 -0.413 17.065 1.00 1.15 C ATOM 1383 CD ARG B 39 163.259 -1.310 15.895 1.00 1.41 C ATOM 1384 NE ARG B 39 163.607 -2.665 16.327 1.00 1.58 N ATOM 1385 CZ ARG B 39 163.601 -3.733 15.524 1.00 1.77 C ATOM 1386 NH1 ARG B 39 163.283 -3.612 14.237 1.00 2.06 N ATOM 1387 NH2 ARG B 39 163.920 -4.928 16.011 1.00 2.18 N ATOM 0 H ARG B 39 164.202 2.359 17.376 1.00 0.54 H new ATOM 0 HA ARG B 39 162.776 0.954 19.288 1.00 0.62 H new ATOM 0 HB2 ARG B 39 164.887 0.311 17.239 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.471 -0.935 18.399 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.149 -0.922 17.692 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.405 0.493 16.690 1.00 1.15 H new ATOM 0 HD2 ARG B 39 162.427 -1.357 15.192 1.00 1.41 H new ATOM 0 HD3 ARG B 39 164.103 -0.872 15.362 1.00 1.41 H new ATOM 0 HE ARG B 39 163.871 -2.802 17.303 1.00 1.58 H new ATOM 0 HH11 ARG B 39 163.041 -2.698 13.855 1.00 2.06 H new ATOM 0 HH12 ARG B 39 163.282 -4.434 13.633 1.00 2.06 H new ATOM 0 HH21 ARG B 39 164.168 -5.028 16.995 1.00 2.18 H new ATOM 0 HH22 ARG B 39 163.916 -5.745 15.400 1.00 2.18 H new ATOM 1401 N VAL B 40 164.243 1.306 21.333 1.00 0.43 N ATOM 1402 CA VAL B 40 164.980 1.179 22.589 1.00 0.56 C ATOM 1403 C VAL B 40 164.009 1.059 23.769 1.00 0.71 C ATOM 1404 O VAL B 40 163.920 1.955 24.613 1.00 1.15 O ATOM 1405 CB VAL B 40 165.927 2.383 22.818 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.801 2.158 24.044 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.789 2.640 21.587 1.00 0.65 C ATOM 0 H VAL B 40 163.351 1.793 21.422 1.00 0.43 H new ATOM 0 HA VAL B 40 165.585 0.275 22.522 1.00 0.56 H new ATOM 0 HB VAL B 40 165.311 3.265 22.993 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.458 3.016 24.185 1.00 1.04 H new ATOM 0 HG12 VAL B 40 166.169 2.036 24.924 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.403 1.260 23.902 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.445 3.490 21.773 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.391 1.757 21.374 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.148 2.857 20.733 1.00 0.65 H new ATOM 1417 N MET B 41 163.271 -0.052 23.814 1.00 0.60 N ATOM 1418 CA MET B 41 162.296 -0.289 24.880 1.00 0.74 C ATOM 1419 C MET B 41 162.053 -1.784 25.091 1.00 0.91 C ATOM 1420 O MET B 41 161.957 -2.521 24.085 1.00 0.91 O ATOM 1421 CB MET B 41 160.966 0.420 24.571 1.00 0.73 C ATOM 1422 CG MET B 41 160.674 0.592 23.084 1.00 0.74 C ATOM 1423 SD MET B 41 159.816 -0.824 22.369 1.00 0.86 S ATOM 1424 CE MET B 41 159.292 -0.139 20.798 1.00 0.70 C ATOM 1425 OXT MET B 41 161.960 -2.206 26.263 1.00 1.13 O ATOM 0 H MET B 41 163.330 -0.802 23.125 1.00 0.60 H new ATOM 0 HA MET B 41 162.711 0.124 25.799 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.153 -0.146 25.025 1.00 0.73 H new ATOM 0 HB3 MET B 41 160.974 1.402 25.043 1.00 0.73 H new ATOM 0 HG2 MET B 41 160.070 1.488 22.939 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.611 0.750 22.551 1.00 0.74 H new ATOM 0 HE1 MET B 41 158.745 -0.896 20.235 1.00 0.70 H new ATOM 0 HE2 MET B 41 158.645 0.721 20.973 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.167 0.175 20.228 1.00 0.70 H new