USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 130:sc= 0.0894 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0901 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.669 (180deg=0.644) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -63:sc= -0.458 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 178:sc= -0.287 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.000733 X(o=-0.00073,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.77! C(o=-1.8!,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0745) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 GLN : amide:sc= -2.58 K(o=-2.6,f=-3.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.65 K(o=-2.6,f=-3.8) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00424 K(o=-0.0042,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc=-0.00368 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0718 X(o=-0.072,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.692 24.734 2.774 1.00 49.53 N ATOM 2 CA MET A 1 25.601 25.684 3.052 1.00 50.07 C ATOM 3 C MET A 1 26.244 26.804 3.905 1.00 50.51 C ATOM 4 O MET A 1 26.853 26.494 4.929 1.00 49.49 O ATOM 5 CB MET A 1 24.456 25.004 3.801 1.00 49.82 C ATOM 6 CG MET A 1 23.530 24.178 2.919 1.00 49.86 C ATOM 7 SD MET A 1 21.976 23.766 3.737 1.00 49.91 S ATOM 8 CE MET A 1 22.528 22.527 4.907 1.00 49.78 C ATOM 0 H1 MET A 1 26.309 23.899 2.287 1.00 49.53 H new ATOM 0 H2 MET A 1 27.404 25.191 2.170 1.00 49.53 H new ATOM 0 H3 MET A 1 27.134 24.441 3.669 1.00 49.53 H new ATOM 0 HA MET A 1 25.164 26.078 2.135 1.00 50.07 H new ATOM 0 HB2 MET A 1 24.876 24.358 4.572 1.00 49.82 H new ATOM 0 HB3 MET A 1 23.867 25.767 4.310 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.319 24.730 2.003 1.00 49.86 H new ATOM 0 HG3 MET A 1 24.037 23.259 2.627 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.678 22.173 5.490 1.00 49.78 H new ATOM 0 HE2 MET A 1 22.972 21.690 4.368 1.00 49.78 H new ATOM 0 HE3 MET A 1 23.270 22.963 5.576 1.00 49.78 H new ATOM 18 N GLN A 2 26.063 28.002 3.435 1.00 49.53 N ATOM 19 CA GLN A 2 26.607 29.170 4.197 1.00 50.07 C ATOM 20 C GLN A 2 25.795 29.349 5.472 1.00 50.51 C ATOM 21 O GLN A 2 24.563 29.082 5.540 1.00 49.49 O ATOM 22 CB GLN A 2 26.550 30.446 3.353 1.00 49.82 C ATOM 23 CG GLN A 2 27.608 30.520 2.265 1.00 49.82 C ATOM 24 CD GLN A 2 27.502 31.790 1.440 1.00 50.55 C ATOM 25 OE1 GLN A 2 26.659 32.650 1.706 1.00 49.45 O ATOM 26 NE2 GLN A 2 28.357 31.911 0.431 1.00 49.38 N ATOM 0 H GLN A 2 25.571 28.228 2.571 1.00 49.53 H new ATOM 0 HA GLN A 2 27.651 28.979 4.446 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.565 30.520 2.892 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.660 31.308 4.010 1.00 49.82 H new ATOM 0 HG2 GLN A 2 28.597 30.467 2.720 1.00 49.82 H new ATOM 0 HG3 GLN A 2 27.512 29.655 1.609 1.00 49.82 H new ATOM 0 HE21 GLN A 2 29.038 31.174 0.248 1.00 49.38 H new ATOM 0 HE22 GLN A 2 28.333 32.741 -0.161 1.00 49.38 H new ATOM 35 N ILE A 3 26.485 29.759 6.524 1.00 49.53 N ATOM 36 CA ILE A 3 25.805 30.113 7.785 1.00 50.07 C ATOM 37 C ILE A 3 26.431 31.484 8.182 1.00 50.51 C ATOM 38 O ILE A 3 27.471 31.779 7.618 1.00 49.49 O ATOM 39 CB ILE A 3 26.041 29.076 8.896 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.540 28.843 9.100 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.336 27.769 8.563 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.881 28.157 10.403 1.00 49.73 C ATOM 0 H ILE A 3 27.500 29.858 6.543 1.00 49.53 H new ATOM 0 HA ILE A 3 24.723 30.150 7.654 1.00 50.07 H new ATOM 0 HB ILE A 3 25.624 29.463 9.825 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.920 28.242 8.274 1.00 49.82 H new ATOM 0 HG13 ILE A 3 28.056 29.802 9.060 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.514 27.047 9.360 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.265 27.947 8.467 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.724 27.376 7.623 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.961 28.027 10.474 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.533 28.766 11.237 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.395 27.182 10.439 1.00 49.73 H new ATOM 54 N PHE A 4 25.744 32.130 9.094 1.00 49.53 N ATOM 55 CA PHE A 4 26.281 33.466 9.550 1.00 50.07 C ATOM 56 C PHE A 4 26.754 33.352 10.972 1.00 50.51 C ATOM 57 O PHE A 4 26.207 32.479 11.662 1.00 49.49 O ATOM 58 CB PHE A 4 25.209 34.551 9.428 1.00 49.82 C ATOM 59 CG PHE A 4 24.653 34.700 8.041 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.399 35.303 7.039 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.382 34.236 7.735 1.00 49.88 C ATOM 62 CE1 PHE A 4 24.888 35.441 5.764 1.00 49.88 C ATOM 63 CE2 PHE A 4 22.870 34.372 6.458 1.00 49.88 C ATOM 64 CZ PHE A 4 23.622 34.974 5.473 1.00 49.88 C ATOM 0 H PHE A 4 24.876 31.816 9.529 1.00 49.53 H new ATOM 0 HA PHE A 4 27.118 33.750 8.912 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.393 34.322 10.114 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.632 35.504 9.744 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.391 35.669 7.259 1.00 49.88 H new ATOM 0 HD2 PHE A 4 22.786 33.764 8.502 1.00 49.88 H new ATOM 0 HE1 PHE A 4 25.479 35.914 4.994 1.00 49.88 H new ATOM 0 HE2 PHE A 4 21.879 34.006 6.232 1.00 49.88 H new ATOM 0 HZ PHE A 4 23.222 35.080 4.475 1.00 49.88 H new ATOM 74 N VAL A 5 27.669 34.186 11.456 1.00 49.53 N ATOM 75 CA VAL A 5 28.077 34.157 12.846 1.00 50.07 C ATOM 76 C VAL A 5 28.221 35.609 13.365 1.00 50.51 C ATOM 77 O VAL A 5 28.997 36.296 12.691 1.00 49.49 O ATOM 78 CB VAL A 5 29.410 33.410 13.036 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.823 33.420 14.500 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.298 31.982 12.525 1.00 49.73 C ATOM 0 H VAL A 5 28.143 34.895 10.896 1.00 49.53 H new ATOM 0 HA VAL A 5 27.313 33.624 13.411 1.00 50.07 H new ATOM 0 HB VAL A 5 30.178 33.924 12.458 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.767 32.888 14.615 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.943 34.450 14.837 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.055 32.930 15.098 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.249 31.469 12.667 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.517 31.458 13.077 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.047 31.994 11.464 1.00 49.73 H new ATOM 90 N LYS A 6 27.508 35.943 14.383 1.00 49.53 N ATOM 91 CA LYS A 6 27.558 37.347 14.920 1.00 50.07 C ATOM 92 C LYS A 6 28.519 37.556 16.058 1.00 50.51 C ATOM 93 O LYS A 6 28.478 36.811 17.065 1.00 49.49 O ATOM 94 CB LYS A 6 26.159 37.791 15.348 1.00 49.82 C ATOM 95 CG LYS A 6 26.024 39.287 15.601 1.00 49.82 C ATOM 96 CD LYS A 6 24.564 39.700 15.711 1.00 49.82 C ATOM 97 CE LYS A 6 24.428 41.195 15.966 1.00 50.21 C ATOM 98 NZ LYS A 6 23.004 41.616 16.056 1.00 49.70 N ATOM 0 H LYS A 6 26.882 35.312 14.883 1.00 49.53 H new ATOM 0 HA LYS A 6 27.932 37.957 14.098 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.447 37.500 14.576 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.883 37.255 16.256 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.549 39.551 16.519 1.00 49.82 H new ATOM 0 HG3 LYS A 6 26.500 39.839 14.791 1.00 49.82 H new ATOM 0 HD2 LYS A 6 24.040 39.437 14.792 1.00 49.82 H new ATOM 0 HD3 LYS A 6 24.088 39.146 16.520 1.00 49.82 H new ATOM 0 HE2 LYS A 6 24.942 41.453 16.892 1.00 50.21 H new ATOM 0 HE3 LYS A 6 24.919 41.746 15.164 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 22.955 42.640 16.230 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 22.519 41.393 15.163 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 22.541 41.110 16.837 1.00 49.70 H new ATOM 112 N THR A 7 29.399 38.575 15.945 1.00 49.53 N ATOM 113 CA THR A 7 30.368 38.840 17.020 1.00 50.07 C ATOM 114 C THR A 7 29.832 39.984 17.883 1.00 50.51 C ATOM 115 O THR A 7 28.786 40.532 17.527 1.00 49.49 O ATOM 116 CB THR A 7 31.754 39.218 16.466 1.00 50.14 C ATOM 117 OG1 THR A 7 31.703 40.535 15.903 1.00 49.34 O ATOM 118 CG2 THR A 7 32.188 38.229 15.394 1.00 49.73 C ATOM 0 H THR A 7 29.456 39.207 15.146 1.00 49.53 H new ATOM 0 HA THR A 7 30.490 37.931 17.609 1.00 50.07 H new ATOM 0 HB THR A 7 32.475 39.192 17.283 1.00 50.14 H new ATOM 0 HG1 THR A 7 31.087 40.541 15.140 1.00 49.34 H new ATOM 0 HG21 THR A 7 33.170 38.512 15.014 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.239 37.228 15.822 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.466 38.238 14.577 1.00 49.73 H new ATOM 126 N LEU A 8 30.550 40.367 18.917 1.00 49.53 N ATOM 127 CA LEU A 8 30.076 41.436 19.824 1.00 50.07 C ATOM 128 C LEU A 8 30.279 42.883 19.421 1.00 50.51 C ATOM 129 O LEU A 8 29.671 43.782 20.032 1.00 49.49 O ATOM 130 CB LEU A 8 30.692 41.219 21.212 1.00 49.82 C ATOM 131 CG LEU A 8 30.158 40.003 21.980 1.00 49.91 C ATOM 132 CD1 LEU A 8 31.051 39.711 23.179 1.00 49.73 C ATOM 133 CD2 LEU A 8 28.728 40.269 22.425 1.00 49.73 C ATOM 0 H LEU A 8 31.457 39.970 19.164 1.00 49.53 H new ATOM 0 HA LEU A 8 28.993 41.321 19.791 1.00 50.07 H new ATOM 0 HB2 LEU A 8 31.771 41.113 21.101 1.00 49.82 H new ATOM 0 HB3 LEU A 8 30.520 42.112 21.812 1.00 49.82 H new ATOM 0 HG LEU A 8 30.165 39.130 21.328 1.00 49.91 H new ATOM 0 HD11 LEU A 8 30.665 38.846 23.718 1.00 49.73 H new ATOM 0 HD12 LEU A 8 32.064 39.501 22.836 1.00 49.73 H new ATOM 0 HD13 LEU A 8 31.064 40.576 23.842 1.00 49.73 H new ATOM 0 HD21 LEU A 8 28.350 39.404 22.970 1.00 49.73 H new ATOM 0 HD22 LEU A 8 28.706 41.145 23.073 1.00 49.73 H new ATOM 0 HD23 LEU A 8 28.102 40.448 21.551 1.00 49.73 H new ATOM 145 N THR A 9 31.100 43.135 18.382 1.00 49.53 N ATOM 146 CA THR A 9 31.267 44.583 18.020 1.00 50.07 C ATOM 147 C THR A 9 30.200 44.864 17.008 1.00 50.51 C ATOM 148 O THR A 9 29.801 46.022 16.781 1.00 49.49 O ATOM 149 CB THR A 9 32.655 44.882 17.424 1.00 50.14 C ATOM 150 OG1 THR A 9 32.856 44.082 16.250 1.00 49.34 O ATOM 151 CG2 THR A 9 33.748 44.575 18.435 1.00 49.73 C ATOM 0 H THR A 9 31.612 42.452 17.824 1.00 49.53 H new ATOM 0 HA THR A 9 31.183 45.211 18.907 1.00 50.07 H new ATOM 0 HB THR A 9 32.702 45.940 17.165 1.00 50.14 H new ATOM 0 HG1 THR A 9 33.739 44.274 15.870 1.00 49.34 H new ATOM 0 HG21 THR A 9 34.722 44.792 17.996 1.00 49.73 H new ATOM 0 HG22 THR A 9 33.605 45.190 19.323 1.00 49.73 H new ATOM 0 HG23 THR A 9 33.702 43.522 18.712 1.00 49.73 H new ATOM 159 N GLY A 10 29.747 43.871 16.308 1.00 49.53 N ATOM 160 CA GLY A 10 28.716 43.997 15.301 1.00 49.98 C ATOM 161 C GLY A 10 29.321 43.611 13.984 1.00 50.51 C ATOM 162 O GLY A 10 28.958 44.181 12.932 1.00 49.49 O ATOM 0 H GLY A 10 30.089 42.916 16.418 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.869 43.353 15.537 1.00 49.98 H new ATOM 0 HA3 GLY A 10 28.339 45.019 15.265 1.00 49.98 H new ATOM 166 N LYS A 11 30.367 42.827 14.033 1.00 49.53 N ATOM 167 CA LYS A 11 30.995 42.284 12.836 1.00 50.07 C ATOM 168 C LYS A 11 30.213 40.992 12.507 1.00 50.51 C ATOM 169 O LYS A 11 29.851 40.306 13.457 1.00 49.49 O ATOM 170 CB LYS A 11 32.476 41.986 13.071 1.00 49.82 C ATOM 171 CG LYS A 11 33.359 43.224 13.167 1.00 49.82 C ATOM 172 CD LYS A 11 33.600 43.839 11.797 1.00 49.82 C ATOM 173 CE LYS A 11 34.604 44.979 11.870 1.00 50.21 C ATOM 174 NZ LYS A 11 34.002 46.216 12.437 1.00 49.70 N ATOM 0 H LYS A 11 30.816 42.541 14.903 1.00 49.53 H new ATOM 0 HA LYS A 11 30.961 42.996 12.011 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.577 41.410 13.991 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.841 41.356 12.259 1.00 49.82 H new ATOM 0 HG2 LYS A 11 32.889 43.959 13.820 1.00 49.82 H new ATOM 0 HG3 LYS A 11 34.313 42.958 13.622 1.00 49.82 H new ATOM 0 HD2 LYS A 11 33.965 43.074 11.112 1.00 49.82 H new ATOM 0 HD3 LYS A 11 32.658 44.207 11.391 1.00 49.82 H new ATOM 0 HE2 LYS A 11 35.453 44.676 12.482 1.00 50.21 H new ATOM 0 HE3 LYS A 11 34.989 45.188 10.872 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 34.720 46.968 12.469 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 33.207 46.521 11.839 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 33.658 46.025 13.399 1.00 49.70 H new ATOM 188 N THR A 12 30.044 40.717 11.228 1.00 49.53 N ATOM 189 CA THR A 12 29.378 39.448 10.880 1.00 50.07 C ATOM 190 C THR A 12 30.204 38.656 9.870 1.00 50.51 C ATOM 191 O THR A 12 30.351 39.171 8.759 1.00 49.49 O ATOM 192 CB THR A 12 27.969 39.686 10.304 1.00 50.14 C ATOM 193 OG1 THR A 12 27.200 40.471 11.224 1.00 49.34 O ATOM 194 CG2 THR A 12 27.263 38.363 10.057 1.00 49.73 C ATOM 0 H THR A 12 30.333 41.304 10.446 1.00 49.53 H new ATOM 0 HA THR A 12 29.288 38.875 11.803 1.00 50.07 H new ATOM 0 HB THR A 12 28.065 40.216 9.356 1.00 50.14 H new ATOM 0 HG1 THR A 12 26.305 40.623 10.856 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.269 38.551 9.650 1.00 49.73 H new ATOM 0 HG22 THR A 12 27.839 37.770 9.347 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.173 37.818 10.996 1.00 49.73 H new ATOM 202 N ILE A 13 30.643 37.465 10.276 1.00 49.53 N ATOM 203 CA ILE A 13 31.444 36.705 9.271 1.00 50.07 C ATOM 204 C ILE A 13 30.649 35.665 8.531 1.00 50.51 C ATOM 205 O ILE A 13 29.512 35.350 8.935 1.00 49.49 O ATOM 206 CB ILE A 13 32.658 36.022 9.929 1.00 49.91 C ATOM 207 CG1 ILE A 13 32.212 35.183 11.129 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.685 37.059 10.354 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.299 34.297 11.692 1.00 49.73 C ATOM 0 H ILE A 13 30.491 37.028 11.185 1.00 49.53 H new ATOM 0 HA ILE A 13 31.774 37.450 8.547 1.00 50.07 H new ATOM 0 HB ILE A 13 33.122 35.359 9.198 1.00 49.91 H new ATOM 0 HG12 ILE A 13 31.857 35.850 11.915 1.00 49.82 H new ATOM 0 HG13 ILE A 13 31.367 34.562 10.832 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.536 36.560 10.817 1.00 49.73 H new ATOM 0 HG22 ILE A 13 34.023 37.616 9.480 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.234 37.746 11.070 1.00 49.73 H new ATOM 0 HD11 ILE A 13 32.907 33.734 12.539 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.639 33.604 10.922 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.136 34.913 12.021 1.00 49.73 H new ATOM 221 N THR A 14 31.166 35.160 7.434 1.00 49.53 N ATOM 222 CA THR A 14 30.383 34.098 6.735 1.00 50.07 C ATOM 223 C THR A 14 31.233 32.857 6.648 1.00 50.51 C ATOM 224 O THR A 14 32.455 32.945 6.357 1.00 49.49 O ATOM 225 CB THR A 14 29.958 34.532 5.321 1.00 50.14 C ATOM 226 OG1 THR A 14 31.122 34.849 4.545 1.00 49.34 O ATOM 227 CG2 THR A 14 29.052 35.752 5.387 1.00 49.73 C ATOM 0 H THR A 14 32.055 35.424 7.010 1.00 49.53 H new ATOM 0 HA THR A 14 29.473 33.908 7.304 1.00 50.07 H new ATOM 0 HB THR A 14 29.413 33.711 4.855 1.00 50.14 H new ATOM 0 HG1 THR A 14 30.850 35.123 3.644 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.762 36.045 4.378 1.00 49.73 H new ATOM 0 HG22 THR A 14 28.160 35.512 5.966 1.00 49.73 H new ATOM 0 HG23 THR A 14 29.584 36.575 5.864 1.00 49.73 H new ATOM 235 N LEU A 15 30.642 31.678 6.764 1.00 49.53 N ATOM 236 CA LEU A 15 31.380 30.434 6.708 1.00 50.07 C ATOM 237 C LEU A 15 30.557 29.587 5.730 1.00 50.51 C ATOM 238 O LEU A 15 29.344 29.734 5.799 1.00 49.49 O ATOM 239 CB LEU A 15 31.472 29.778 8.091 1.00 49.82 C ATOM 240 CG LEU A 15 32.126 30.638 9.180 1.00 49.91 C ATOM 241 CD1 LEU A 15 32.036 29.933 10.526 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.576 30.913 8.811 1.00 49.73 C ATOM 0 H LEU A 15 29.638 31.561 6.899 1.00 49.53 H new ATOM 0 HA LEU A 15 32.415 30.561 6.390 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.467 29.511 8.416 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.034 28.849 7.998 1.00 49.82 H new ATOM 0 HG LEU A 15 31.599 31.589 9.257 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.503 30.551 11.293 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.989 29.768 10.781 1.00 49.73 H new ATOM 0 HD13 LEU A 15 32.551 28.974 10.470 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.039 31.524 9.586 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.114 29.969 8.723 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.615 31.443 7.859 1.00 49.73 H new ATOM 254 N GLU A 16 31.256 28.823 4.926 1.00 49.53 N ATOM 255 CA GLU A 16 30.496 27.875 4.048 1.00 50.07 C ATOM 256 C GLU A 16 30.948 26.518 4.542 1.00 50.51 C ATOM 257 O GLU A 16 32.123 26.189 4.395 1.00 49.49 O ATOM 258 CB GLU A 16 30.836 28.076 2.569 1.00 49.82 C ATOM 259 CG GLU A 16 30.040 27.198 1.615 1.00 49.72 C ATOM 260 CD GLU A 16 30.412 27.469 0.184 1.00 50.62 C ATOM 261 OE1 GLU A 16 31.556 27.292 -0.157 1.00 49.24 O ATOM 262 OE2 GLU A 16 29.530 27.745 -0.596 1.00 49.24 O ATOM 0 H GLU A 16 32.272 28.810 4.838 1.00 49.53 H new ATOM 0 HA GLU A 16 29.416 28.015 4.105 1.00 50.07 H new ATOM 0 HB2 GLU A 16 30.666 29.121 2.309 1.00 49.82 H new ATOM 0 HB3 GLU A 16 31.898 27.880 2.423 1.00 49.82 H new ATOM 0 HG2 GLU A 16 30.220 26.148 1.847 1.00 49.72 H new ATOM 0 HG3 GLU A 16 28.974 27.377 1.756 1.00 49.72 H new ATOM 269 N VAL A 17 30.000 25.868 5.202 1.00 49.53 N ATOM 270 CA VAL A 17 30.236 24.561 5.804 1.00 50.07 C ATOM 271 C VAL A 17 29.091 23.556 5.608 1.00 50.51 C ATOM 272 O VAL A 17 27.917 23.929 5.379 1.00 49.49 O ATOM 273 CB VAL A 17 30.519 24.691 7.312 1.00 49.91 C ATOM 274 CG1 VAL A 17 31.891 25.306 7.546 1.00 49.73 C ATOM 275 CG2 VAL A 17 29.442 25.525 7.987 1.00 49.73 C ATOM 0 H VAL A 17 29.054 26.226 5.335 1.00 49.53 H new ATOM 0 HA VAL A 17 31.105 24.169 5.277 1.00 50.07 H new ATOM 0 HB VAL A 17 30.508 23.693 7.750 1.00 49.91 H new ATOM 0 HG11 VAL A 17 32.074 25.390 8.617 1.00 49.73 H new ATOM 0 HG12 VAL A 17 32.655 24.672 7.096 1.00 49.73 H new ATOM 0 HG13 VAL A 17 31.928 26.297 7.093 1.00 49.73 H new ATOM 0 HG21 VAL A 17 29.659 25.606 9.052 1.00 49.73 H new ATOM 0 HG22 VAL A 17 29.422 26.521 7.544 1.00 49.73 H new ATOM 0 HG23 VAL A 17 28.472 25.047 7.849 1.00 49.73 H new ATOM 285 N GLU A 18 29.503 22.311 5.697 1.00 49.53 N ATOM 286 CA GLU A 18 28.605 21.156 5.663 1.00 50.07 C ATOM 287 C GLU A 18 28.157 20.875 7.089 1.00 50.51 C ATOM 288 O GLU A 18 28.923 21.001 8.032 1.00 49.49 O ATOM 289 CB GLU A 18 29.305 19.933 5.065 1.00 49.82 C ATOM 290 CG GLU A 18 28.378 18.767 4.756 1.00 49.72 C ATOM 291 CD GLU A 18 29.155 17.546 4.345 1.00 50.62 C ATOM 292 OE1 GLU A 18 30.360 17.584 4.406 1.00 49.24 O ATOM 293 OE2 GLU A 18 28.542 16.539 4.078 1.00 49.24 O ATOM 0 H GLU A 18 30.486 22.058 5.797 1.00 49.53 H new ATOM 0 HA GLU A 18 27.744 21.372 5.031 1.00 50.07 H new ATOM 0 HB2 GLU A 18 29.811 20.232 4.147 1.00 49.82 H new ATOM 0 HB3 GLU A 18 30.075 19.595 5.758 1.00 49.82 H new ATOM 0 HG2 GLU A 18 27.773 18.538 5.633 1.00 49.72 H new ATOM 0 HG3 GLU A 18 27.690 19.048 3.959 1.00 49.72 H new ATOM 300 N PRO A 19 26.893 20.537 7.263 1.00 49.71 N ATOM 301 CA PRO A 19 26.343 20.192 8.576 1.00 50.02 C ATOM 302 C PRO A 19 27.122 19.086 9.241 1.00 50.51 C ATOM 303 O PRO A 19 27.095 18.921 10.469 1.00 49.49 O ATOM 304 CB PRO A 19 24.899 19.745 8.259 1.00 49.82 C ATOM 305 CG PRO A 19 24.569 20.531 7.032 1.00 49.82 C ATOM 306 CD PRO A 19 25.869 20.435 6.194 1.00 50.00 C ATOM 0 HA PRO A 19 26.388 21.026 9.276 1.00 50.02 H new ATOM 0 HB2 PRO A 19 24.838 18.672 8.080 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.217 19.970 9.079 1.00 49.82 H new ATOM 0 HG2 PRO A 19 23.715 20.110 6.501 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.318 21.565 7.270 1.00 49.82 H new ATOM 0 HD2 PRO A 19 25.938 19.497 5.643 1.00 50.00 H new ATOM 0 HD3 PRO A 19 25.951 21.240 5.464 1.00 50.00 H new ATOM 314 N SER A 20 27.797 18.268 8.452 1.00 49.53 N ATOM 315 CA SER A 20 28.540 17.130 9.016 1.00 50.07 C ATOM 316 C SER A 20 29.592 17.696 9.940 1.00 50.51 C ATOM 317 O SER A 20 30.091 16.942 10.793 1.00 49.49 O ATOM 318 CB SER A 20 29.170 16.300 7.915 1.00 50.05 C ATOM 319 OG SER A 20 30.024 17.060 7.105 1.00 49.34 O ATOM 0 H SER A 20 27.853 18.358 7.438 1.00 49.53 H new ATOM 0 HA SER A 20 27.870 16.468 9.565 1.00 50.07 H new ATOM 0 HB2 SER A 20 29.729 15.476 8.358 1.00 50.05 H new ATOM 0 HB3 SER A 20 28.386 15.859 7.300 1.00 50.05 H new ATOM 0 HG SER A 20 30.435 16.481 6.429 1.00 49.34 H new ATOM 325 N ASP A 21 30.014 18.936 9.682 1.00 49.53 N ATOM 326 CA ASP A 21 31.066 19.499 10.571 1.00 50.07 C ATOM 327 C ASP A 21 30.685 19.586 12.025 1.00 50.51 C ATOM 328 O ASP A 21 29.829 20.406 12.414 1.00 49.49 O ATOM 329 CB ASP A 21 31.484 20.885 10.071 1.00 49.72 C ATOM 330 CG ASP A 21 32.152 20.884 8.703 1.00 50.62 C ATOM 331 OD1 ASP A 21 32.668 19.863 8.315 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.007 21.851 7.993 1.00 49.24 O ATOM 0 H ASP A 21 29.684 19.540 8.929 1.00 49.53 H new ATOM 0 HA ASP A 21 31.895 18.794 10.521 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.602 21.525 10.031 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.167 21.329 10.795 1.00 49.72 H new ATOM 337 N THR A 22 31.611 19.204 12.888 1.00 49.53 N ATOM 338 CA THR A 22 31.431 19.313 14.316 1.00 50.07 C ATOM 339 C THR A 22 31.682 20.770 14.773 1.00 50.51 C ATOM 340 O THR A 22 32.149 21.589 13.976 1.00 49.49 O ATOM 341 CB THR A 22 32.376 18.370 15.084 1.00 50.14 C ATOM 342 OG1 THR A 22 33.730 18.615 14.682 1.00 49.34 O ATOM 343 CG2 THR A 22 32.022 16.917 14.802 1.00 49.73 C ATOM 0 H THR A 22 32.510 18.809 12.612 1.00 49.53 H new ATOM 0 HA THR A 22 30.404 19.024 14.539 1.00 50.07 H new ATOM 0 HB THR A 22 32.267 18.560 16.152 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.330 18.016 15.173 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.699 16.264 15.352 1.00 49.73 H new ATOM 0 HG22 THR A 22 30.996 16.725 15.117 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.116 16.720 13.734 1.00 49.73 H new ATOM 351 N ILE A 23 31.360 20.981 16.051 1.00 49.53 N ATOM 352 CA ILE A 23 31.614 22.272 16.684 1.00 50.07 C ATOM 353 C ILE A 23 33.122 22.458 16.865 1.00 50.51 C ATOM 354 O ILE A 23 33.668 23.571 16.772 1.00 49.49 O ATOM 355 CB ILE A 23 30.916 22.386 18.051 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.399 22.489 17.869 1.00 49.82 C ATOM 357 CG2 ILE A 23 31.445 23.587 18.821 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.973 23.557 16.888 1.00 49.73 C ATOM 0 H ILE A 23 30.929 20.284 16.659 1.00 49.53 H new ATOM 0 HA ILE A 23 31.209 23.050 16.037 1.00 50.07 H new ATOM 0 HB ILE A 23 31.134 21.487 18.627 1.00 49.91 H new ATOM 0 HG12 ILE A 23 29.017 21.526 17.531 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.940 22.693 18.836 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.940 23.652 19.785 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.517 23.474 18.980 1.00 49.73 H new ATOM 0 HG23 ILE A 23 31.257 24.497 18.251 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.886 23.569 16.813 1.00 49.73 H new ATOM 0 HD12 ILE A 23 29.324 24.529 17.234 1.00 49.73 H new ATOM 0 HD13 ILE A 23 29.402 23.344 15.909 1.00 49.73 H new ATOM 370 N GLU A 24 33.813 21.377 17.144 1.00 49.53 N ATOM 371 CA GLU A 24 35.307 21.446 17.273 1.00 50.07 C ATOM 372 C GLU A 24 35.969 21.985 16.029 1.00 50.51 C ATOM 373 O GLU A 24 36.873 22.853 16.096 1.00 49.49 O ATOM 374 CB GLU A 24 35.875 20.065 17.607 1.00 49.82 C ATOM 375 CG GLU A 24 35.562 19.581 19.017 1.00 49.72 C ATOM 376 CD GLU A 24 36.057 18.179 19.234 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.548 17.591 18.302 1.00 49.24 O ATOM 378 OE2 GLU A 24 36.047 17.735 20.358 1.00 49.24 O ATOM 0 H GLU A 24 33.409 20.451 17.288 1.00 49.53 H new ATOM 0 HA GLU A 24 35.524 22.140 18.085 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.483 19.342 16.892 1.00 49.82 H new ATOM 0 HB3 GLU A 24 36.957 20.089 17.476 1.00 49.82 H new ATOM 0 HG2 GLU A 24 36.024 20.249 19.744 1.00 49.72 H new ATOM 0 HG3 GLU A 24 34.486 19.620 19.187 1.00 49.72 H new ATOM 385 N ASN A 25 35.497 21.551 14.871 1.00 49.53 N ATOM 386 CA ASN A 25 36.018 21.958 13.560 1.00 50.07 C ATOM 387 C ASN A 25 35.586 23.346 13.094 1.00 50.51 C ATOM 388 O ASN A 25 36.420 24.159 12.646 1.00 49.49 O ATOM 389 CB ASN A 25 35.661 20.934 12.498 1.00 49.82 C ATOM 390 CG ASN A 25 36.434 21.095 11.218 1.00 50.55 C ATOM 391 OD1 ASN A 25 37.632 20.800 11.151 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.775 21.638 10.225 1.00 49.38 N ATOM 0 H ASN A 25 34.723 20.890 14.807 1.00 49.53 H new ATOM 0 HA ASN A 25 37.098 22.011 13.699 1.00 50.07 H new ATOM 0 HB2 ASN A 25 35.838 19.935 12.896 1.00 49.82 H new ATOM 0 HB3 ASN A 25 34.595 21.006 12.280 1.00 49.82 H new ATOM 0 HD21 ASN A 25 36.251 21.836 9.345 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.786 21.863 10.332 1.00 49.38 H new ATOM 399 N VAL A 26 34.281 23.561 13.169 1.00 49.53 N ATOM 400 CA VAL A 26 33.716 24.852 12.790 1.00 50.07 C ATOM 401 C VAL A 26 34.453 25.970 13.520 1.00 50.51 C ATOM 402 O VAL A 26 34.751 27.023 12.945 1.00 49.49 O ATOM 403 CB VAL A 26 32.213 24.936 13.113 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.713 26.364 12.955 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.422 23.994 12.217 1.00 49.73 C ATOM 0 H VAL A 26 33.600 22.870 13.484 1.00 49.53 H new ATOM 0 HA VAL A 26 33.836 24.962 11.712 1.00 50.07 H new ATOM 0 HB VAL A 26 32.066 24.632 14.149 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.649 26.405 13.187 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.258 27.018 13.636 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.873 26.694 11.929 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.362 24.066 12.459 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.576 24.270 11.174 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.761 22.970 12.376 1.00 49.73 H new ATOM 415 N LYS A 27 34.779 25.720 14.782 1.00 49.53 N ATOM 416 CA LYS A 27 35.488 26.722 15.591 1.00 50.07 C ATOM 417 C LYS A 27 36.843 27.033 14.979 1.00 50.51 C ATOM 418 O LYS A 27 37.294 28.202 15.064 1.00 49.49 O ATOM 419 CB LYS A 27 35.656 26.232 17.030 1.00 49.82 C ATOM 420 CG LYS A 27 34.397 26.337 17.882 1.00 49.82 C ATOM 421 CD LYS A 27 34.475 25.428 19.099 1.00 49.82 C ATOM 422 CE LYS A 27 35.503 25.930 20.100 1.00 50.21 C ATOM 423 NZ LYS A 27 35.556 25.078 21.320 1.00 49.70 N ATOM 0 H LYS A 27 34.571 24.848 15.268 1.00 49.53 H new ATOM 0 HA LYS A 27 34.893 27.635 15.605 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.981 25.192 17.011 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.451 26.806 17.506 1.00 49.82 H new ATOM 0 HG2 LYS A 27 34.259 27.369 18.205 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.526 26.071 17.282 1.00 49.82 H new ATOM 0 HD2 LYS A 27 33.497 25.372 19.577 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.735 24.417 18.784 1.00 49.82 H new ATOM 0 HE2 LYS A 27 36.486 25.952 19.630 1.00 50.21 H new ATOM 0 HE3 LYS A 27 35.263 26.955 20.384 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 36.269 25.455 21.976 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 34.625 25.077 21.784 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 35.811 24.106 21.053 1.00 49.70 H new ATOM 437 N ALA A 28 37.505 26.046 14.410 1.00 49.53 N ATOM 438 CA ALA A 28 38.790 26.256 13.731 1.00 50.07 C ATOM 439 C ALA A 28 38.580 27.103 12.490 1.00 50.51 C ATOM 440 O ALA A 28 39.426 28.007 12.170 1.00 49.49 O ATOM 441 CB ALA A 28 39.440 24.908 13.371 1.00 49.73 C ATOM 0 H ALA A 28 37.180 25.079 14.399 1.00 49.53 H new ATOM 0 HA ALA A 28 39.466 26.782 14.405 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.391 25.085 12.869 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.612 24.332 14.281 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.778 24.350 12.708 1.00 49.73 H new ATOM 447 N LYS A 29 37.495 26.912 11.755 1.00 49.53 N ATOM 448 CA LYS A 29 37.188 27.760 10.586 1.00 50.07 C ATOM 449 C LYS A 29 37.115 29.207 11.112 1.00 50.51 C ATOM 450 O LYS A 29 37.654 30.176 10.524 1.00 49.49 O ATOM 451 CB LYS A 29 35.869 27.347 9.931 1.00 49.82 C ATOM 452 CG LYS A 29 35.646 27.931 8.542 1.00 49.82 C ATOM 453 CD LYS A 29 36.638 27.363 7.538 1.00 49.82 C ATOM 454 CE LYS A 29 36.338 27.849 6.128 1.00 50.21 C ATOM 455 NZ LYS A 29 37.297 27.296 5.133 1.00 49.70 N ATOM 0 H LYS A 29 36.806 26.182 11.937 1.00 49.53 H new ATOM 0 HA LYS A 29 37.954 27.657 9.817 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.835 26.260 9.864 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.046 27.652 10.577 1.00 49.82 H new ATOM 0 HG2 LYS A 29 34.629 27.716 8.214 1.00 49.82 H new ATOM 0 HG3 LYS A 29 35.745 29.016 8.581 1.00 49.82 H new ATOM 0 HD2 LYS A 29 37.650 27.656 7.818 1.00 49.82 H new ATOM 0 HD3 LYS A 29 36.602 26.274 7.565 1.00 49.82 H new ATOM 0 HE2 LYS A 29 35.323 27.561 5.853 1.00 50.21 H new ATOM 0 HE3 LYS A 29 36.378 28.938 6.104 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 37.058 27.651 4.185 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 38.263 27.592 5.380 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 37.241 26.257 5.137 1.00 49.70 H new ATOM 469 N ILE A 30 36.495 29.362 12.281 1.00 49.53 N ATOM 470 CA ILE A 30 36.376 30.710 12.868 1.00 50.07 C ATOM 471 C ILE A 30 37.747 31.291 13.235 1.00 50.51 C ATOM 472 O ILE A 30 38.021 32.475 12.931 1.00 49.49 O ATOM 473 CB ILE A 30 35.481 30.700 14.122 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.031 30.390 13.741 1.00 49.82 C ATOM 475 CG2 ILE A 30 35.571 32.034 14.848 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.138 30.099 14.926 1.00 49.73 C ATOM 0 H ILE A 30 36.080 28.608 12.828 1.00 49.53 H new ATOM 0 HA ILE A 30 35.918 31.340 12.106 1.00 50.07 H new ATOM 0 HB ILE A 30 35.834 29.918 14.795 1.00 49.91 H new ATOM 0 HG12 ILE A 30 33.622 31.236 13.188 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.017 29.533 13.068 1.00 49.82 H new ATOM 0 HG21 ILE A 30 34.933 32.011 15.732 1.00 49.73 H new ATOM 0 HG22 ILE A 30 36.603 32.215 15.150 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.242 32.833 14.183 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.127 29.889 14.577 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.522 29.234 15.467 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.120 30.964 15.589 1.00 49.73 H new ATOM 488 N GLN A 31 38.574 30.549 13.928 1.00 49.53 N ATOM 489 CA GLN A 31 39.917 31.112 14.274 1.00 50.07 C ATOM 490 C GLN A 31 40.783 31.665 13.130 1.00 50.51 C ATOM 491 O GLN A 31 41.274 32.817 13.079 1.00 49.49 O ATOM 492 CB GLN A 31 40.731 30.059 15.030 1.00 49.82 C ATOM 493 CG GLN A 31 41.997 30.595 15.677 1.00 49.82 C ATOM 494 CD GLN A 31 43.135 30.742 14.686 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.295 29.924 13.776 1.00 49.45 O ATOM 496 NE2 GLN A 31 43.938 31.787 14.859 1.00 49.38 N ATOM 0 H GLN A 31 38.387 29.604 14.262 1.00 49.53 H new ATOM 0 HA GLN A 31 39.671 31.989 14.873 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.102 29.615 15.802 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.000 29.260 14.340 1.00 49.82 H new ATOM 0 HG2 GLN A 31 41.787 31.563 16.132 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.303 29.925 16.481 1.00 49.82 H new ATOM 0 HE21 GLN A 31 43.769 32.439 15.625 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.723 31.937 14.226 1.00 49.38 H new ATOM 505 N ASP A 32 41.020 30.790 12.182 1.00 49.53 N ATOM 506 CA ASP A 32 41.824 31.169 10.996 1.00 50.07 C ATOM 507 C ASP A 32 41.512 32.478 10.304 1.00 50.51 C ATOM 508 O ASP A 32 42.377 33.354 10.068 1.00 49.49 O ATOM 509 CB ASP A 32 41.762 30.041 9.963 1.00 49.72 C ATOM 510 CG ASP A 32 42.900 30.054 8.950 1.00 50.62 C ATOM 511 OD1 ASP A 32 44.031 30.176 9.357 1.00 49.24 O ATOM 512 OD2 ASP A 32 42.647 29.785 7.800 1.00 49.24 O ATOM 0 H ASP A 32 40.686 29.826 12.186 1.00 49.53 H new ATOM 0 HA ASP A 32 42.818 31.330 11.414 1.00 50.07 H new ATOM 0 HB2 ASP A 32 41.768 29.085 10.486 1.00 49.72 H new ATOM 0 HB3 ASP A 32 40.814 30.106 9.428 1.00 49.72 H new ATOM 517 N LYS A 33 40.241 32.680 9.909 1.00 49.53 N ATOM 518 CA LYS A 33 39.975 33.928 9.142 1.00 50.07 C ATOM 519 C LYS A 33 39.822 35.114 10.028 1.00 50.51 C ATOM 520 O LYS A 33 40.472 36.166 9.701 1.00 49.49 O ATOM 521 CB LYS A 33 38.728 33.762 8.274 1.00 49.82 C ATOM 522 CG LYS A 33 38.796 32.601 7.291 1.00 49.82 C ATOM 523 CD LYS A 33 40.032 32.694 6.409 1.00 49.82 C ATOM 524 CE LYS A 33 40.118 31.516 5.449 1.00 50.21 C ATOM 525 NZ LYS A 33 39.026 31.538 4.439 1.00 49.70 N ATOM 0 H LYS A 33 39.445 32.066 10.082 1.00 49.53 H new ATOM 0 HA LYS A 33 40.843 34.104 8.506 1.00 50.07 H new ATOM 0 HB2 LYS A 33 37.864 33.622 8.924 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.562 34.684 7.717 1.00 49.82 H new ATOM 0 HG2 LYS A 33 38.808 31.659 7.839 1.00 49.82 H new ATOM 0 HG3 LYS A 33 37.902 32.597 6.668 1.00 49.82 H new ATOM 0 HD2 LYS A 33 40.008 33.625 5.843 1.00 49.82 H new ATOM 0 HD3 LYS A 33 40.925 32.723 7.033 1.00 49.82 H new ATOM 0 HE2 LYS A 33 41.082 31.532 4.941 1.00 50.21 H new ATOM 0 HE3 LYS A 33 40.071 30.585 6.013 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 39.198 30.801 3.726 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 38.115 31.360 4.909 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 39.001 32.469 3.975 1.00 49.70 H new ATOM 539 N GLU A 34 39.156 35.084 11.148 1.00 49.53 N ATOM 540 CA GLU A 34 38.979 36.204 12.045 1.00 50.07 C ATOM 541 C GLU A 34 40.127 36.303 13.017 1.00 50.51 C ATOM 542 O GLU A 34 40.724 37.376 13.150 1.00 49.49 O ATOM 543 CB GLU A 34 37.656 36.083 12.802 1.00 49.82 C ATOM 544 CG GLU A 34 37.493 37.070 13.948 1.00 49.72 C ATOM 545 CD GLU A 34 37.618 38.490 13.467 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.564 38.702 12.280 1.00 49.24 O ATOM 547 OE2 GLU A 34 37.654 39.374 14.291 1.00 49.24 O ATOM 0 H GLU A 34 38.696 34.237 11.482 1.00 49.53 H new ATOM 0 HA GLU A 34 38.957 37.114 11.445 1.00 50.07 H new ATOM 0 HB2 GLU A 34 36.835 36.223 12.099 1.00 49.82 H new ATOM 0 HB3 GLU A 34 37.569 35.070 13.196 1.00 49.82 H new ATOM 0 HG2 GLU A 34 36.520 36.927 14.418 1.00 49.72 H new ATOM 0 HG3 GLU A 34 38.247 36.874 14.710 1.00 49.72 H new ATOM 554 N GLY A 35 40.401 35.238 13.753 1.00 49.53 N ATOM 555 CA GLY A 35 41.515 35.184 14.662 1.00 49.98 C ATOM 556 C GLY A 35 41.108 34.741 16.012 1.00 50.51 C ATOM 557 O GLY A 35 41.957 34.230 16.789 1.00 49.49 O ATOM 0 H GLY A 35 39.846 34.383 13.730 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.270 34.503 14.270 1.00 49.98 H new ATOM 0 HA3 GLY A 35 41.977 36.169 14.728 1.00 49.98 H new ATOM 561 N ILE A 36 39.823 34.907 16.368 1.00 49.53 N ATOM 562 CA ILE A 36 39.395 34.466 17.704 1.00 50.07 C ATOM 563 C ILE A 36 39.783 33.013 17.911 1.00 50.51 C ATOM 564 O ILE A 36 39.243 32.110 17.245 1.00 49.49 O ATOM 565 CB ILE A 36 37.876 34.623 17.898 1.00 49.91 C ATOM 566 CG1 ILE A 36 37.461 36.084 17.706 1.00 49.82 C ATOM 567 CG2 ILE A 36 37.460 34.124 19.274 1.00 49.73 C ATOM 568 CD1 ILE A 36 38.258 37.060 18.541 1.00 49.73 C ATOM 0 H ILE A 36 39.097 35.321 15.784 1.00 49.53 H new ATOM 0 HA ILE A 36 39.895 35.097 18.438 1.00 50.07 H new ATOM 0 HB ILE A 36 37.367 34.019 17.147 1.00 49.91 H new ATOM 0 HG12 ILE A 36 37.569 36.347 16.654 1.00 49.82 H new ATOM 0 HG13 ILE A 36 36.404 36.187 17.953 1.00 49.82 H new ATOM 0 HG21 ILE A 36 36.383 34.243 19.394 1.00 49.73 H new ATOM 0 HG22 ILE A 36 37.722 33.071 19.374 1.00 49.73 H new ATOM 0 HG23 ILE A 36 37.976 34.701 20.042 1.00 49.73 H new ATOM 0 HD11 ILE A 36 37.906 38.074 18.350 1.00 49.73 H new ATOM 0 HD12 ILE A 36 38.130 36.824 19.597 1.00 49.73 H new ATOM 0 HD13 ILE A 36 39.313 36.987 18.278 1.00 49.73 H new ATOM 580 N PRO A 37 40.698 32.758 18.840 1.00 49.71 N ATOM 581 CA PRO A 37 41.147 31.396 19.177 1.00 50.02 C ATOM 582 C PRO A 37 39.975 30.526 19.591 1.00 50.51 C ATOM 583 O PRO A 37 39.137 31.004 20.400 1.00 49.49 O ATOM 584 CB PRO A 37 42.052 31.690 20.411 1.00 49.82 C ATOM 585 CG PRO A 37 42.606 33.054 20.119 1.00 49.82 C ATOM 586 CD PRO A 37 41.369 33.812 19.656 1.00 50.00 C ATOM 0 HA PRO A 37 41.634 30.867 18.358 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.481 31.678 21.340 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.844 30.948 20.514 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.055 33.509 21.002 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.377 33.024 19.349 1.00 49.82 H new ATOM 0 HD2 PRO A 37 40.752 34.148 20.489 1.00 50.00 H new ATOM 0 HD3 PRO A 37 41.619 34.695 19.069 1.00 50.00 H new ATOM 594 N PRO A 38 39.906 29.299 19.137 1.00 49.71 N ATOM 595 CA PRO A 38 38.778 28.427 19.501 1.00 50.02 C ATOM 596 C PRO A 38 38.617 28.246 20.988 1.00 50.51 C ATOM 597 O PRO A 38 37.486 28.085 21.521 1.00 49.49 O ATOM 598 CB PRO A 38 39.053 27.141 18.726 1.00 49.82 C ATOM 599 CG PRO A 38 39.832 27.635 17.510 1.00 49.82 C ATOM 600 CD PRO A 38 40.810 28.632 18.166 1.00 50.00 C ATOM 0 HA PRO A 38 37.811 28.853 19.234 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.632 26.430 19.315 1.00 49.82 H new ATOM 0 HB3 PRO A 38 38.130 26.638 18.437 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.352 26.825 16.997 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.186 28.115 16.775 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.646 28.132 18.654 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.234 29.332 17.446 1.00 50.00 H new ATOM 608 N ASP A 39 39.695 28.266 21.732 1.00 49.53 N ATOM 609 CA ASP A 39 39.622 28.039 23.201 1.00 50.07 C ATOM 610 C ASP A 39 38.707 29.049 23.881 1.00 50.51 C ATOM 611 O ASP A 39 38.156 28.828 24.996 1.00 49.49 O ATOM 612 CB ASP A 39 41.020 28.097 23.821 1.00 49.72 C ATOM 613 CG ASP A 39 42.020 27.124 23.212 1.00 50.62 C ATOM 614 OD1 ASP A 39 41.614 26.059 22.812 1.00 49.24 O ATOM 615 OD2 ASP A 39 43.145 27.512 23.006 1.00 49.24 O ATOM 0 H ASP A 39 40.635 28.433 21.374 1.00 49.53 H new ATOM 0 HA ASP A 39 39.201 27.046 23.359 1.00 50.07 H new ATOM 0 HB2 ASP A 39 41.408 29.110 23.717 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.939 27.895 24.889 1.00 49.72 H new ATOM 620 N GLN A 40 38.428 30.149 23.200 1.00 49.53 N ATOM 621 CA GLN A 40 37.522 31.165 23.786 1.00 50.07 C ATOM 622 C GLN A 40 36.145 31.446 23.155 1.00 50.51 C ATOM 623 O GLN A 40 35.508 32.423 23.534 1.00 49.49 O ATOM 624 CB GLN A 40 38.270 32.496 23.889 1.00 49.82 C ATOM 625 CG GLN A 40 39.494 32.455 24.789 1.00 49.82 C ATOM 626 CD GLN A 40 40.087 33.831 25.024 1.00 50.55 C ATOM 627 OE1 GLN A 40 39.576 34.836 24.520 1.00 49.45 O ATOM 628 NE2 GLN A 40 41.172 33.884 25.787 1.00 49.38 N ATOM 0 H GLN A 40 38.792 30.371 22.274 1.00 49.53 H new ATOM 0 HA GLN A 40 37.257 30.694 24.733 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.578 32.805 22.890 1.00 49.82 H new ATOM 0 HB3 GLN A 40 37.584 33.257 24.261 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.222 32.011 25.747 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.249 31.809 24.341 1.00 49.82 H new ATOM 0 HE21 GLN A 40 41.560 33.027 26.183 1.00 49.38 H new ATOM 0 HE22 GLN A 40 41.618 34.781 25.978 1.00 49.38 H new ATOM 637 N GLN A 41 35.707 30.615 22.237 1.00 49.53 N ATOM 638 CA GLN A 41 34.461 30.789 21.530 1.00 50.07 C ATOM 639 C GLN A 41 33.332 30.006 22.169 1.00 50.51 C ATOM 640 O GLN A 41 33.324 28.793 22.303 1.00 49.49 O ATOM 641 CB GLN A 41 34.614 30.366 20.067 1.00 49.82 C ATOM 642 CG GLN A 41 35.724 31.089 19.324 1.00 49.82 C ATOM 643 CD GLN A 41 35.881 30.595 17.897 1.00 50.55 C ATOM 644 OE1 GLN A 41 35.094 29.774 17.419 1.00 49.45 O ATOM 645 NE2 GLN A 41 36.905 31.091 17.211 1.00 49.38 N ATOM 0 H GLN A 41 36.220 29.780 21.955 1.00 49.53 H new ATOM 0 HA GLN A 41 34.208 31.848 21.581 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.805 29.293 20.028 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.671 30.541 19.549 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.515 32.159 19.315 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.664 30.953 19.858 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.531 31.768 17.647 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.065 30.795 16.248 1.00 49.38 H new ATOM 654 N ARG A 42 32.234 30.718 22.410 1.00 49.53 N ATOM 655 CA ARG A 42 30.970 30.063 22.875 1.00 50.07 C ATOM 656 C ARG A 42 29.931 30.379 21.821 1.00 50.51 C ATOM 657 O ARG A 42 29.596 31.623 21.689 1.00 49.49 O ATOM 658 CB ARG A 42 30.544 30.511 24.266 1.00 49.82 C ATOM 659 CG ARG A 42 29.253 29.888 24.771 1.00 49.82 C ATOM 660 CD ARG A 42 28.692 30.540 25.982 1.00 50.20 C ATOM 661 NE ARG A 42 29.521 30.419 27.170 1.00 49.30 N ATOM 662 CZ ARG A 42 29.286 31.054 28.335 1.00 50.64 C ATOM 663 NH1 ARG A 42 28.272 31.880 28.463 1.00 49.20 N ATOM 664 NH2 ARG A 42 30.116 30.842 29.341 1.00 49.20 N ATOM 0 H ARG A 42 32.172 31.730 22.300 1.00 49.53 H new ATOM 0 HA ARG A 42 31.110 28.987 22.982 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.343 30.275 24.969 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.431 31.595 24.264 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.509 29.926 23.975 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.433 28.835 24.990 1.00 49.82 H new ATOM 0 HD2 ARG A 42 28.535 31.598 25.770 1.00 50.20 H new ATOM 0 HD3 ARG A 42 27.713 30.108 26.192 1.00 50.20 H new ATOM 0 HE ARG A 42 30.338 29.811 27.118 1.00 49.30 H new ATOM 0 HH11 ARG A 42 27.649 32.049 27.673 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.108 32.353 29.352 1.00 49.20 H new ATOM 0 HH21 ARG A 42 30.909 30.212 29.224 1.00 49.20 H new ATOM 0 HH22 ARG A 42 29.964 31.309 30.235 1.00 49.20 H new ATOM 678 N LEU A 43 29.475 29.403 21.038 1.00 49.53 N ATOM 679 CA LEU A 43 28.496 29.683 19.957 1.00 50.07 C ATOM 680 C LEU A 43 27.112 29.263 20.439 1.00 50.51 C ATOM 681 O LEU A 43 26.978 28.165 20.997 1.00 49.49 O ATOM 682 CB LEU A 43 28.878 28.934 18.675 1.00 49.82 C ATOM 683 CG LEU A 43 30.243 29.310 18.082 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.541 28.441 16.867 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.244 30.784 17.704 1.00 49.73 C ATOM 0 H LEU A 43 29.753 28.425 21.118 1.00 49.53 H new ATOM 0 HA LEU A 43 28.495 30.748 19.725 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.872 27.864 18.883 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.110 29.117 17.923 1.00 49.82 H new ATOM 0 HG LEU A 43 31.022 29.138 18.824 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.511 28.715 16.453 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.556 27.393 17.165 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.769 28.593 16.113 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.213 31.051 17.283 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.464 30.971 16.966 1.00 49.73 H new ATOM 0 HD23 LEU A 43 30.056 31.387 18.592 1.00 49.73 H new ATOM 697 N ILE A 44 26.150 30.170 20.297 1.00 49.53 N ATOM 698 CA ILE A 44 24.781 29.953 20.751 1.00 50.07 C ATOM 699 C ILE A 44 23.809 29.812 19.586 1.00 50.51 C ATOM 700 O ILE A 44 23.878 30.510 18.595 1.00 49.49 O ATOM 701 CB ILE A 44 24.303 31.095 21.666 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.090 31.092 22.979 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.811 30.973 21.935 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.030 32.403 23.730 1.00 49.73 C ATOM 0 H ILE A 44 26.299 31.080 19.862 1.00 49.53 H new ATOM 0 HA ILE A 44 24.792 29.020 21.314 1.00 50.07 H new ATOM 0 HB ILE A 44 24.483 32.043 21.159 1.00 49.91 H new ATOM 0 HG12 ILE A 44 24.706 30.299 23.620 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.132 30.853 22.767 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.490 31.788 22.583 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.266 31.023 20.992 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.606 30.020 22.422 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.611 32.323 24.649 1.00 49.73 H new ATOM 0 HD12 ILE A 44 25.442 33.198 23.108 1.00 49.73 H new ATOM 0 HD13 ILE A 44 23.994 32.635 23.975 1.00 49.73 H new ATOM 716 N PHE A 45 22.850 28.866 19.762 1.00 49.53 N ATOM 717 CA PHE A 45 21.800 28.637 18.755 1.00 50.07 C ATOM 718 C PHE A 45 20.506 28.430 19.565 1.00 50.51 C ATOM 719 O PHE A 45 20.393 27.543 20.410 1.00 49.49 O ATOM 720 CB PHE A 45 22.114 27.413 17.892 1.00 49.82 C ATOM 721 CG PHE A 45 21.135 27.191 16.775 1.00 50.00 C ATOM 722 CD1 PHE A 45 21.000 28.122 15.757 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.345 26.052 16.742 1.00 49.88 C ATOM 724 CE1 PHE A 45 20.099 27.920 14.729 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.445 25.845 15.715 1.00 49.88 C ATOM 726 CZ PHE A 45 19.321 26.781 14.707 1.00 49.88 C ATOM 0 H PHE A 45 22.788 28.262 20.581 1.00 49.53 H new ATOM 0 HA PHE A 45 21.716 29.474 18.061 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.113 27.524 17.470 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.133 26.527 18.527 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.606 29.016 15.767 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.435 25.318 17.529 1.00 49.88 H new ATOM 0 HE1 PHE A 45 20.004 28.654 13.943 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.838 24.952 15.700 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.617 26.622 13.904 1.00 49.88 H new ATOM 736 N ALA A 46 19.615 29.360 19.321 1.00 49.53 N ATOM 737 CA ALA A 46 18.267 29.368 19.923 1.00 50.07 C ATOM 738 C ALA A 46 18.214 29.510 21.436 1.00 50.51 C ATOM 739 O ALA A 46 17.226 29.146 22.093 1.00 49.49 O ATOM 740 CB ALA A 46 17.526 28.136 19.509 1.00 49.73 C ATOM 0 H ALA A 46 19.788 30.147 18.696 1.00 49.53 H new ATOM 0 HA ALA A 46 17.796 30.273 19.541 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.531 28.143 19.954 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.438 28.112 18.423 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.069 27.254 19.848 1.00 49.73 H new ATOM 746 N GLY A 47 19.309 29.965 21.971 1.00 49.53 N ATOM 747 CA GLY A 47 19.591 30.206 23.355 1.00 49.98 C ATOM 748 C GLY A 47 20.169 28.957 23.970 1.00 50.51 C ATOM 749 O GLY A 47 20.388 28.919 25.201 1.00 49.49 O ATOM 0 H GLY A 47 20.110 30.201 21.386 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.293 31.034 23.456 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.680 30.495 23.879 1.00 49.98 H new ATOM 753 N LYS A 48 20.473 27.966 23.177 1.00 49.53 N ATOM 754 CA LYS A 48 21.087 26.725 23.665 1.00 50.07 C ATOM 755 C LYS A 48 22.602 26.747 23.393 1.00 50.51 C ATOM 756 O LYS A 48 22.983 26.697 22.233 1.00 49.49 O ATOM 757 CB LYS A 48 20.445 25.506 22.999 1.00 49.82 C ATOM 758 CG LYS A 48 18.940 25.395 23.208 1.00 49.82 C ATOM 759 CD LYS A 48 18.599 25.190 24.676 1.00 49.82 C ATOM 760 CE LYS A 48 17.104 24.985 24.874 1.00 50.21 C ATOM 761 NZ LYS A 48 16.346 26.259 24.737 1.00 49.70 N ATOM 0 H LYS A 48 20.309 27.980 22.170 1.00 49.53 H new ATOM 0 HA LYS A 48 20.920 26.653 24.740 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.649 25.542 21.929 1.00 49.82 H new ATOM 0 HB3 LYS A 48 20.921 24.604 23.384 1.00 49.82 H new ATOM 0 HG2 LYS A 48 18.452 26.299 22.842 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.550 24.563 22.622 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.141 24.325 25.060 1.00 49.82 H new ATOM 0 HD3 LYS A 48 18.929 26.054 25.252 1.00 49.82 H new ATOM 0 HE2 LYS A 48 16.737 24.264 24.144 1.00 50.21 H new ATOM 0 HE3 LYS A 48 16.924 24.560 25.861 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.332 26.077 24.879 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 16.678 26.939 25.450 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 16.497 26.652 23.786 1.00 49.70 H new ATOM 775 N GLN A 49 23.405 26.805 24.422 1.00 49.53 N ATOM 776 CA GLN A 49 24.879 26.707 24.229 1.00 50.07 C ATOM 777 C GLN A 49 25.184 25.417 23.472 1.00 50.51 C ATOM 778 O GLN A 49 24.588 24.363 23.817 1.00 49.49 O ATOM 779 CB GLN A 49 25.609 26.717 25.575 1.00 49.82 C ATOM 780 CG GLN A 49 27.105 26.957 25.470 1.00 49.82 C ATOM 781 CD GLN A 49 27.852 25.743 24.951 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.476 24.601 25.229 1.00 49.45 O ATOM 783 NE2 GLN A 49 28.917 25.983 24.195 1.00 49.38 N ATOM 0 H GLN A 49 23.102 26.916 25.390 1.00 49.53 H new ATOM 0 HA GLN A 49 25.227 27.568 23.658 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.172 27.490 26.207 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.440 25.763 26.075 1.00 49.82 H new ATOM 0 HG2 GLN A 49 27.289 27.803 24.808 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.496 27.229 26.450 1.00 49.82 H new ATOM 0 HE21 GLN A 49 29.191 26.944 23.991 1.00 49.38 H new ATOM 0 HE22 GLN A 49 29.461 25.206 23.818 1.00 49.38 H new ATOM 792 N LEU A 50 26.104 25.456 22.540 1.00 49.53 N ATOM 793 CA LEU A 50 26.415 24.294 21.690 1.00 50.07 C ATOM 794 C LEU A 50 27.407 23.312 22.289 1.00 50.51 C ATOM 795 O LEU A 50 28.343 23.766 22.917 1.00 49.49 O ATOM 796 CB LEU A 50 26.926 24.775 20.326 1.00 49.82 C ATOM 797 CG LEU A 50 25.969 25.696 19.558 1.00 49.91 C ATOM 798 CD1 LEU A 50 26.627 26.178 18.272 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.678 24.950 19.256 1.00 49.73 C ATOM 0 H LEU A 50 26.666 26.283 22.336 1.00 49.53 H new ATOM 0 HA LEU A 50 25.479 23.744 21.591 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.870 25.300 20.474 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.140 23.903 19.708 1.00 49.82 H new ATOM 0 HG LEU A 50 25.736 26.568 20.169 1.00 49.91 H new ATOM 0 HD11 LEU A 50 25.940 26.831 17.734 1.00 49.73 H new ATOM 0 HD12 LEU A 50 27.537 26.728 18.513 1.00 49.73 H new ATOM 0 HD13 LEU A 50 26.876 25.320 17.647 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.999 25.605 18.710 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.899 24.071 18.651 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.210 24.639 20.190 1.00 49.73 H new ATOM 811 N GLU A 51 27.186 22.014 22.080 1.00 49.53 N ATOM 812 CA GLU A 51 28.076 20.994 22.673 1.00 50.07 C ATOM 813 C GLU A 51 29.291 20.746 21.821 1.00 50.51 C ATOM 814 O GLU A 51 29.142 20.464 20.634 1.00 49.49 O ATOM 815 CB GLU A 51 27.316 19.684 22.893 1.00 49.82 C ATOM 816 CG GLU A 51 28.053 18.665 23.749 1.00 49.72 C ATOM 817 CD GLU A 51 27.328 17.348 23.779 1.00 50.62 C ATOM 818 OE1 GLU A 51 26.284 17.254 23.177 1.00 49.24 O ATOM 819 OE2 GLU A 51 27.868 16.406 24.307 1.00 49.24 O ATOM 0 H GLU A 51 26.419 21.642 21.519 1.00 49.53 H new ATOM 0 HA GLU A 51 28.416 21.380 23.634 1.00 50.07 H new ATOM 0 HB2 GLU A 51 26.358 19.909 23.361 1.00 49.82 H new ATOM 0 HB3 GLU A 51 27.099 19.237 21.923 1.00 49.82 H new ATOM 0 HG2 GLU A 51 29.060 18.519 23.358 1.00 49.72 H new ATOM 0 HG3 GLU A 51 28.158 19.048 24.764 1.00 49.72 H new ATOM 826 N ASP A 52 30.485 20.830 22.352 1.00 49.53 N ATOM 827 CA ASP A 52 31.754 20.702 21.643 1.00 50.07 C ATOM 828 C ASP A 52 31.749 19.434 20.807 1.00 50.51 C ATOM 829 O ASP A 52 32.326 19.450 19.683 1.00 49.49 O ATOM 830 CB ASP A 52 32.926 20.687 22.627 1.00 49.72 C ATOM 831 CG ASP A 52 32.998 21.903 23.541 1.00 50.62 C ATOM 832 OD1 ASP A 52 32.578 22.957 23.125 1.00 49.24 O ATOM 833 OD2 ASP A 52 33.321 21.738 24.692 1.00 49.24 O ATOM 0 H ASP A 52 30.616 20.999 23.349 1.00 49.53 H new ATOM 0 HA ASP A 52 31.876 21.563 20.985 1.00 50.07 H new ATOM 0 HB2 ASP A 52 32.856 19.790 23.242 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.856 20.616 22.064 1.00 49.72 H new ATOM 838 N GLY A 53 31.248 18.345 21.347 1.00 49.53 N ATOM 839 CA GLY A 53 31.223 17.026 20.692 1.00 49.98 C ATOM 840 C GLY A 53 30.014 16.783 19.851 1.00 50.51 C ATOM 841 O GLY A 53 29.637 15.616 19.590 1.00 49.49 O ATOM 0 H GLY A 53 30.832 18.337 22.278 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.112 16.926 20.069 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.281 16.252 21.457 1.00 49.98 H new ATOM 845 N ARG A 54 29.359 17.820 19.342 1.00 49.53 N ATOM 846 CA ARG A 54 28.201 17.657 18.441 1.00 50.07 C ATOM 847 C ARG A 54 28.440 18.206 17.042 1.00 50.51 C ATOM 848 O ARG A 54 29.344 19.042 16.833 1.00 49.49 O ATOM 849 CB ARG A 54 26.930 18.237 19.044 1.00 49.82 C ATOM 850 CG ARG A 54 26.432 17.525 20.291 1.00 49.82 C ATOM 851 CD ARG A 54 25.924 16.149 20.050 1.00 50.20 C ATOM 852 NE ARG A 54 25.604 15.406 21.257 1.00 49.30 N ATOM 853 CZ ARG A 54 24.434 15.495 21.922 1.00 50.64 C ATOM 854 NH1 ARG A 54 23.491 16.319 21.525 1.00 49.20 N ATOM 855 NH2 ARG A 54 24.272 14.748 23.001 1.00 49.20 N ATOM 0 H ARG A 54 29.604 18.791 19.533 1.00 49.53 H new ATOM 0 HA ARG A 54 28.067 16.581 18.331 1.00 50.07 H new ATOM 0 HB2 ARG A 54 27.106 19.285 19.287 1.00 49.82 H new ATOM 0 HB3 ARG A 54 26.143 18.212 18.290 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.244 17.478 21.016 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.637 18.119 20.741 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.031 16.209 19.427 1.00 50.20 H new ATOM 0 HD3 ARG A 54 26.671 15.593 19.483 1.00 50.20 H new ATOM 0 HE ARG A 54 26.313 14.773 21.627 1.00 49.30 H new ATOM 0 HH11 ARG A 54 23.638 16.904 20.702 1.00 49.20 H new ATOM 0 HH12 ARG A 54 22.612 16.374 22.039 1.00 49.20 H new ATOM 0 HH21 ARG A 54 25.021 14.127 23.309 1.00 49.20 H new ATOM 0 HH22 ARG A 54 23.399 14.793 23.526 1.00 49.20 H new ATOM 869 N THR A 55 27.597 17.829 16.112 1.00 49.53 N ATOM 870 CA THR A 55 27.636 18.309 14.712 1.00 50.07 C ATOM 871 C THR A 55 26.553 19.389 14.487 1.00 50.51 C ATOM 872 O THR A 55 25.824 19.738 15.410 1.00 49.49 O ATOM 873 CB THR A 55 27.425 17.160 13.710 1.00 50.14 C ATOM 874 OG1 THR A 55 26.209 16.467 14.024 1.00 49.34 O ATOM 875 CG2 THR A 55 28.589 16.183 13.765 1.00 49.73 C ATOM 0 H THR A 55 26.841 17.167 16.289 1.00 49.53 H new ATOM 0 HA THR A 55 28.625 18.735 14.541 1.00 50.07 H new ATOM 0 HB THR A 55 27.364 17.580 12.706 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.662 16.384 13.215 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.422 15.378 13.050 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.513 16.704 13.516 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.667 15.766 14.769 1.00 49.73 H new ATOM 883 N LEU A 56 26.478 19.872 13.264 1.00 49.53 N ATOM 884 CA LEU A 56 25.462 20.863 12.867 1.00 50.07 C ATOM 885 C LEU A 56 24.149 20.129 12.610 1.00 50.51 C ATOM 886 O LEU A 56 23.119 20.734 12.744 1.00 49.49 O ATOM 887 CB LEU A 56 25.913 21.628 11.617 1.00 49.82 C ATOM 888 CG LEU A 56 27.162 22.499 11.800 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.720 22.905 10.443 1.00 49.73 C ATOM 890 CD2 LEU A 56 26.809 23.727 12.627 1.00 49.73 C ATOM 0 H LEU A 56 27.109 19.600 12.511 1.00 49.53 H new ATOM 0 HA LEU A 56 25.325 21.594 13.664 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.104 20.909 10.820 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.092 22.263 11.283 1.00 49.82 H new ATOM 0 HG LEU A 56 27.928 21.929 12.326 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.607 23.523 10.584 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.987 22.012 9.877 1.00 49.73 H new ATOM 0 HD13 LEU A 56 26.967 23.471 9.894 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.697 24.346 12.757 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.038 24.302 12.114 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.439 23.414 13.603 1.00 49.73 H new ATOM 902 N SER A 57 24.219 18.805 12.359 1.00 49.53 N ATOM 903 CA SER A 57 22.943 18.093 12.098 1.00 50.07 C ATOM 904 C SER A 57 22.309 17.576 13.370 1.00 50.51 C ATOM 905 O SER A 57 21.336 16.764 13.316 1.00 49.49 O ATOM 906 CB SER A 57 23.175 16.951 11.128 1.00 50.05 C ATOM 907 OG SER A 57 24.166 16.070 11.580 1.00 49.34 O ATOM 0 H SER A 57 25.069 18.241 12.331 1.00 49.53 H new ATOM 0 HA SER A 57 22.251 18.811 11.658 1.00 50.07 H new ATOM 0 HB2 SER A 57 22.243 16.404 10.982 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.463 17.353 10.157 1.00 50.05 H new ATOM 0 HG SER A 57 24.284 15.348 10.928 1.00 49.34 H new ATOM 913 N ASP A 58 22.793 18.031 14.512 1.00 49.53 N ATOM 914 CA ASP A 58 22.241 17.592 15.820 1.00 50.07 C ATOM 915 C ASP A 58 21.172 18.538 16.376 1.00 50.51 C ATOM 916 O ASP A 58 20.290 18.158 17.153 1.00 49.49 O ATOM 917 CB ASP A 58 23.369 17.432 16.842 1.00 49.72 C ATOM 918 CG ASP A 58 24.351 16.314 16.524 1.00 50.62 C ATOM 919 OD1 ASP A 58 24.060 15.520 15.661 1.00 49.24 O ATOM 920 OD2 ASP A 58 25.447 16.350 17.032 1.00 49.24 O ATOM 0 H ASP A 58 23.561 18.699 14.580 1.00 49.53 H new ATOM 0 HA ASP A 58 21.754 16.633 15.642 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.917 18.372 16.910 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.931 17.246 17.823 1.00 49.72 H new ATOM 925 N TYR A 59 21.378 19.803 16.145 1.00 49.53 N ATOM 926 CA TYR A 59 20.479 20.873 16.572 1.00 50.07 C ATOM 927 C TYR A 59 19.626 21.616 15.569 1.00 50.51 C ATOM 928 O TYR A 59 19.204 22.746 15.889 1.00 49.49 O ATOM 929 CB TYR A 59 21.282 21.904 17.367 1.00 49.82 C ATOM 930 CG TYR A 59 21.636 21.456 18.768 1.00 50.00 C ATOM 931 CD1 TYR A 59 20.646 21.197 19.704 1.00 49.88 C ATOM 932 CD2 TYR A 59 22.960 21.297 19.153 1.00 49.88 C ATOM 933 CE1 TYR A 59 20.964 20.789 20.984 1.00 49.88 C ATOM 934 CE2 TYR A 59 23.290 20.888 20.430 1.00 49.88 C ATOM 935 CZ TYR A 59 22.288 20.635 21.344 1.00 50.11 C ATOM 936 OH TYR A 59 22.610 20.229 22.619 1.00 49.46 O ATOM 0 H TYR A 59 22.196 20.144 15.640 1.00 49.53 H new ATOM 0 HA TYR A 59 19.734 20.312 17.136 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.200 22.131 16.826 1.00 49.82 H new ATOM 0 HB3 TYR A 59 20.709 22.830 17.426 1.00 49.82 H new ATOM 0 HD1 TYR A 59 19.609 21.316 19.427 1.00 49.88 H new ATOM 0 HD2 TYR A 59 23.747 21.497 18.441 1.00 49.88 H new ATOM 0 HE1 TYR A 59 20.181 20.591 21.701 1.00 49.88 H new ATOM 0 HE2 TYR A 59 24.326 20.767 20.711 1.00 49.88 H new ATOM 0 HH TYR A 59 23.584 20.169 22.707 1.00 49.46 H new ATOM 946 N ASN A 60 19.294 21.077 14.415 1.00 49.53 N ATOM 947 CA ASN A 60 18.456 21.839 13.467 1.00 50.07 C ATOM 948 C ASN A 60 19.084 23.186 13.129 1.00 50.51 C ATOM 949 O ASN A 60 18.396 24.224 13.073 1.00 49.49 O ATOM 950 CB ASN A 60 17.050 22.037 14.003 1.00 49.82 C ATOM 951 CG ASN A 60 16.347 20.752 14.346 1.00 50.55 C ATOM 952 OD1 ASN A 60 16.794 19.660 13.978 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.208 20.883 14.978 1.00 49.38 N ATOM 0 H ASN A 60 19.572 20.147 14.102 1.00 49.53 H new ATOM 0 HA ASN A 60 18.393 21.250 12.552 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.095 22.665 14.893 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.461 22.577 13.262 1.00 49.82 H new ATOM 0 HD21 ASN A 60 14.644 20.060 15.189 1.00 49.38 H new ATOM 0 HD22 ASN A 60 14.885 21.808 15.260 1.00 49.38 H new ATOM 960 N ILE A 61 20.366 23.186 12.828 1.00 49.53 N ATOM 961 CA ILE A 61 21.061 24.436 12.393 1.00 50.07 C ATOM 962 C ILE A 61 21.175 24.348 10.874 1.00 50.51 C ATOM 963 O ILE A 61 22.259 23.854 10.442 1.00 49.49 O ATOM 964 CB ILE A 61 22.461 24.574 13.020 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.349 24.809 14.527 1.00 49.82 C ATOM 966 CG2 ILE A 61 23.230 25.706 12.356 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.632 24.544 15.283 1.00 49.73 C ATOM 0 H ILE A 61 20.963 22.360 12.867 1.00 49.53 H new ATOM 0 HA ILE A 61 20.497 25.311 12.717 1.00 50.07 H new ATOM 0 HB ILE A 61 23.008 23.646 12.857 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.041 25.840 14.703 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.563 24.169 14.928 1.00 49.82 H new ATOM 0 HG21 ILE A 61 24.217 25.791 12.810 1.00 49.73 H new ATOM 0 HG22 ILE A 61 23.337 25.498 11.291 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.688 26.642 12.490 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.474 24.732 16.345 1.00 49.73 H new ATOM 0 HD12 ILE A 61 23.931 23.506 15.139 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.416 25.203 14.911 1.00 49.73 H new ATOM 979 N GLN A 62 20.174 24.756 10.147 1.00 49.53 N ATOM 980 CA GLN A 62 20.140 24.657 8.658 1.00 50.07 C ATOM 981 C GLN A 62 20.655 25.897 7.923 1.00 50.51 C ATOM 982 O GLN A 62 21.139 26.842 8.572 1.00 49.49 O ATOM 983 CB GLN A 62 18.715 24.354 8.187 1.00 49.82 C ATOM 984 CG GLN A 62 18.230 22.955 8.532 1.00 49.82 C ATOM 985 CD GLN A 62 19.102 21.875 7.922 1.00 50.55 C ATOM 986 OE1 GLN A 62 19.355 21.868 6.714 1.00 49.45 O ATOM 987 NE2 GLN A 62 19.565 20.950 8.755 1.00 49.38 N ATOM 0 H GLN A 62 19.334 25.176 10.545 1.00 49.53 H new ATOM 0 HA GLN A 62 20.823 23.846 8.407 1.00 50.07 H new ATOM 0 HB2 GLN A 62 18.035 25.082 8.630 1.00 49.82 H new ATOM 0 HB3 GLN A 62 18.665 24.488 7.106 1.00 49.82 H new ATOM 0 HG2 GLN A 62 18.213 22.836 9.615 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.205 22.832 8.182 1.00 49.82 H new ATOM 0 HE21 GLN A 62 19.331 20.994 9.747 1.00 49.38 H new ATOM 0 HE22 GLN A 62 20.154 20.196 8.403 1.00 49.38 H new ATOM 996 N LYS A 63 20.596 25.897 6.593 1.00 49.53 N ATOM 997 CA LYS A 63 21.111 26.983 5.788 1.00 50.07 C ATOM 998 C LYS A 63 20.463 28.319 6.140 1.00 50.51 C ATOM 999 O LYS A 63 19.300 28.424 6.499 1.00 49.49 O ATOM 1000 CB LYS A 63 20.912 26.682 4.301 1.00 49.82 C ATOM 1001 CG LYS A 63 19.456 26.568 3.871 1.00 49.82 C ATOM 1002 CD LYS A 63 19.329 26.521 2.356 1.00 49.82 C ATOM 1003 CE LYS A 63 17.872 26.436 1.925 1.00 50.21 C ATOM 1004 NZ LYS A 63 17.737 26.274 0.452 1.00 49.70 N ATOM 0 H LYS A 63 20.187 25.137 6.049 1.00 49.53 H new ATOM 0 HA LYS A 63 22.176 27.067 6.004 1.00 50.07 H new ATOM 0 HB2 LYS A 63 21.390 27.468 3.717 1.00 49.82 H new ATOM 0 HB3 LYS A 63 21.423 25.750 4.060 1.00 49.82 H new ATOM 0 HG2 LYS A 63 19.016 25.669 4.303 1.00 49.82 H new ATOM 0 HG3 LYS A 63 18.892 27.416 4.259 1.00 49.82 H new ATOM 0 HD2 LYS A 63 19.787 27.410 1.923 1.00 49.82 H new ATOM 0 HD3 LYS A 63 19.875 25.661 1.970 1.00 49.82 H new ATOM 0 HE2 LYS A 63 17.393 25.596 2.428 1.00 50.21 H new ATOM 0 HE3 LYS A 63 17.347 27.338 2.241 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 16.730 26.220 0.200 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 18.171 27.088 -0.028 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 18.216 25.400 0.154 1.00 49.70 H new ATOM 1018 N GLU A 64 21.325 29.342 6.067 1.00 49.53 N ATOM 1019 CA GLU A 64 21.005 30.720 6.333 1.00 50.07 C ATOM 1020 C GLU A 64 20.649 30.891 7.780 1.00 50.51 C ATOM 1021 O GLU A 64 19.924 31.835 8.184 1.00 49.49 O ATOM 1022 CB GLU A 64 19.853 31.190 5.442 1.00 49.82 C ATOM 1023 CG GLU A 64 20.145 31.125 3.950 1.00 49.72 C ATOM 1024 CD GLU A 64 18.983 31.632 3.142 1.00 50.62 C ATOM 1025 OE1 GLU A 64 17.989 31.990 3.727 1.00 49.24 O ATOM 1026 OE2 GLU A 64 19.126 31.766 1.950 1.00 49.24 O ATOM 0 H GLU A 64 22.303 29.209 5.808 1.00 49.53 H new ATOM 0 HA GLU A 64 21.879 31.331 6.108 1.00 50.07 H new ATOM 0 HB2 GLU A 64 18.974 30.582 5.655 1.00 49.82 H new ATOM 0 HB3 GLU A 64 19.601 32.217 5.706 1.00 49.82 H new ATOM 0 HG2 GLU A 64 21.032 31.717 3.725 1.00 49.72 H new ATOM 0 HG3 GLU A 64 20.367 30.096 3.665 1.00 49.72 H new ATOM 1033 N SER A 65 21.275 30.068 8.607 1.00 49.53 N ATOM 1034 CA SER A 65 21.155 30.141 10.068 1.00 50.07 C ATOM 1035 C SER A 65 22.092 31.267 10.564 1.00 50.51 C ATOM 1036 O SER A 65 22.920 31.761 9.807 1.00 49.49 O ATOM 1037 CB SER A 65 21.518 28.812 10.701 1.00 50.05 C ATOM 1038 OG SER A 65 22.871 28.496 10.524 1.00 49.34 O ATOM 0 H SER A 65 21.889 29.320 8.286 1.00 49.53 H new ATOM 0 HA SER A 65 20.126 30.361 10.353 1.00 50.07 H new ATOM 0 HB2 SER A 65 21.290 28.844 11.766 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.902 28.024 10.267 1.00 50.05 H new ATOM 0 HG SER A 65 22.961 27.539 10.331 1.00 49.34 H new ATOM 1044 N THR A 66 21.902 31.702 11.781 1.00 49.53 N ATOM 1045 CA THR A 66 22.770 32.703 12.411 1.00 50.07 C ATOM 1046 C THR A 66 23.324 32.125 13.712 1.00 50.51 C ATOM 1047 O THR A 66 22.532 31.541 14.486 1.00 49.49 O ATOM 1048 CB THR A 66 22.015 34.012 12.709 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.649 34.647 11.478 1.00 49.34 O ATOM 1050 CG2 THR A 66 22.887 34.957 13.522 1.00 49.73 C ATOM 0 H THR A 66 21.141 31.380 12.379 1.00 49.53 H new ATOM 0 HA THR A 66 23.578 32.940 11.719 1.00 50.07 H new ATOM 0 HB THR A 66 21.120 33.774 13.283 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.167 35.479 11.670 1.00 49.34 H new ATOM 0 HG21 THR A 66 22.338 35.877 13.723 1.00 49.73 H new ATOM 0 HG22 THR A 66 23.157 34.482 14.465 1.00 49.73 H new ATOM 0 HG23 THR A 66 23.792 35.190 12.961 1.00 49.73 H new ATOM 1058 N LEU A 67 24.638 32.237 13.933 1.00 49.53 N ATOM 1059 CA LEU A 67 25.216 31.799 15.209 1.00 50.07 C ATOM 1060 C LEU A 67 25.565 33.044 16.052 1.00 50.51 C ATOM 1061 O LEU A 67 26.114 33.961 15.419 1.00 49.49 O ATOM 1062 CB LEU A 67 26.461 30.937 14.970 1.00 49.82 C ATOM 1063 CG LEU A 67 26.183 29.462 14.652 1.00 49.91 C ATOM 1064 CD1 LEU A 67 25.755 29.314 13.198 1.00 49.73 C ATOM 1065 CD2 LEU A 67 27.429 28.637 14.934 1.00 49.73 C ATOM 0 H LEU A 67 25.308 32.617 13.264 1.00 49.53 H new ATOM 0 HA LEU A 67 24.491 31.189 15.748 1.00 50.07 H new ATOM 0 HB2 LEU A 67 27.030 31.369 14.146 1.00 49.82 H new ATOM 0 HB3 LEU A 67 27.094 30.988 15.856 1.00 49.82 H new ATOM 0 HG LEU A 67 25.373 29.100 15.285 1.00 49.91 H new ATOM 0 HD11 LEU A 67 25.560 28.264 12.981 1.00 49.73 H new ATOM 0 HD12 LEU A 67 24.849 29.895 13.024 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.549 29.677 12.546 1.00 49.73 H new ATOM 0 HD21 LEU A 67 27.231 27.589 14.708 1.00 49.73 H new ATOM 0 HD22 LEU A 67 28.250 28.993 14.312 1.00 49.73 H new ATOM 0 HD23 LEU A 67 27.701 28.736 15.985 1.00 49.73 H new ATOM 1077 N HIS A 68 25.288 33.018 17.306 1.00 49.53 N ATOM 1078 CA HIS A 68 25.652 34.178 18.155 1.00 50.07 C ATOM 1079 C HIS A 68 26.962 33.830 18.857 1.00 50.51 C ATOM 1080 O HIS A 68 26.985 33.007 19.797 1.00 49.49 O ATOM 1081 CB HIS A 68 24.554 34.483 19.179 1.00 49.92 C ATOM 1082 CG HIS A 68 24.872 35.638 20.078 1.00 50.22 C ATOM 1083 ND1 HIS A 68 24.294 35.796 21.320 1.00 49.30 N ATOM 1084 CD2 HIS A 68 25.706 36.691 19.914 1.00 49.95 C ATOM 1085 CE1 HIS A 68 24.761 36.898 21.882 1.00 50.25 C ATOM 1086 NE2 HIS A 68 25.619 37.458 21.049 1.00 49.64 N ATOM 0 H HIS A 68 24.825 32.248 17.789 1.00 49.53 H new ATOM 0 HA HIS A 68 25.767 35.072 17.542 1.00 50.07 H new ATOM 0 HB2 HIS A 68 23.624 34.691 18.650 1.00 49.92 H new ATOM 0 HB3 HIS A 68 24.382 33.596 19.789 1.00 49.92 H new ATOM 0 HD2 HIS A 68 26.324 36.891 19.051 1.00 49.95 H new ATOM 0 HE1 HIS A 68 24.487 37.276 22.856 1.00 50.25 H new ATOM 0 HE2 HIS A 68 26.134 38.321 21.221 1.00 49.64 H new ATOM 1094 N LEU A 69 28.044 34.472 18.448 1.00 49.53 N ATOM 1095 CA LEU A 69 29.344 34.286 19.084 1.00 50.07 C ATOM 1096 C LEU A 69 29.466 34.921 20.437 1.00 50.51 C ATOM 1097 O LEU A 69 28.815 36.006 20.645 1.00 49.49 O ATOM 1098 CB LEU A 69 30.451 34.814 18.162 1.00 49.82 C ATOM 1099 CG LEU A 69 31.848 34.881 18.792 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.391 33.475 19.010 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.775 35.683 17.891 1.00 49.73 C ATOM 0 H LEU A 69 28.050 35.133 17.671 1.00 49.53 H new ATOM 0 HA LEU A 69 29.450 33.213 19.245 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.499 34.179 17.277 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.174 35.812 17.823 1.00 49.82 H new ATOM 0 HG LEU A 69 31.786 35.377 19.761 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.383 33.533 19.458 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.724 32.927 19.676 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.455 32.957 18.053 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.767 35.730 18.340 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.840 35.202 16.915 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.383 36.693 17.772 1.00 49.73 H new ATOM 1113 N VAL A 70 30.204 34.362 21.339 1.00 49.53 N ATOM 1114 CA VAL A 70 30.441 35.012 22.661 1.00 50.07 C ATOM 1115 C VAL A 70 31.935 34.755 22.903 1.00 50.51 C ATOM 1116 O VAL A 70 32.433 33.666 22.539 1.00 49.49 O ATOM 1117 CB VAL A 70 29.597 34.392 23.790 1.00 49.91 C ATOM 1118 CG1 VAL A 70 30.031 34.940 25.141 1.00 49.73 C ATOM 1119 CG2 VAL A 70 28.118 34.660 23.559 1.00 49.73 C ATOM 0 H VAL A 70 30.667 33.461 21.221 1.00 49.53 H new ATOM 0 HA VAL A 70 30.162 36.066 22.656 1.00 50.07 H new ATOM 0 HB VAL A 70 29.757 33.314 23.786 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.424 34.491 25.928 1.00 49.73 H new ATOM 0 HG12 VAL A 70 31.081 34.700 25.311 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.900 36.022 25.154 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.537 34.215 24.367 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.942 35.736 23.536 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.813 34.222 22.608 1.00 49.73 H new ATOM 1129 N LEU A 71 32.629 35.707 23.484 1.00 49.53 N ATOM 1130 CA LEU A 71 34.066 35.528 23.787 1.00 50.07 C ATOM 1131 C LEU A 71 34.362 35.125 25.208 1.00 50.51 C ATOM 1132 O LEU A 71 34.423 35.974 26.119 1.00 49.49 O ATOM 1133 CB LEU A 71 34.829 36.814 23.444 1.00 49.82 C ATOM 1134 CG LEU A 71 34.791 37.222 21.966 1.00 49.91 C ATOM 1135 CD1 LEU A 71 35.289 38.651 21.806 1.00 49.73 C ATOM 1136 CD2 LEU A 71 35.641 36.259 21.151 1.00 49.73 C ATOM 0 H LEU A 71 32.245 36.610 23.761 1.00 49.53 H new ATOM 0 HA LEU A 71 34.400 34.696 23.167 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.420 37.630 24.040 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.870 36.691 23.744 1.00 49.82 H new ATOM 0 HG LEU A 71 33.764 37.177 21.602 1.00 49.91 H new ATOM 0 HD11 LEU A 71 35.258 38.931 20.753 1.00 49.73 H new ATOM 0 HD12 LEU A 71 34.652 39.325 22.380 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.314 38.722 22.171 1.00 49.73 H new ATOM 0 HD21 LEU A 71 35.614 36.549 20.101 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.670 36.289 21.509 1.00 49.73 H new ATOM 0 HD23 LEU A 71 35.249 35.248 21.258 1.00 49.73 H new ATOM 1148 N ARG A 72 34.609 33.889 25.430 1.00 49.53 N ATOM 1149 CA ARG A 72 34.975 33.354 26.760 1.00 50.07 C ATOM 1150 C ARG A 72 36.368 33.800 27.195 1.00 50.51 C ATOM 1151 O ARG A 72 37.306 33.175 26.602 1.00 49.49 O ATOM 1152 CB ARG A 72 34.832 31.842 26.825 1.00 49.82 C ATOM 1153 CG ARG A 72 35.265 31.214 28.141 1.00 49.82 C ATOM 1154 CD ARG A 72 34.864 29.793 28.303 1.00 50.20 C ATOM 1155 NE ARG A 72 35.351 29.165 29.521 1.00 49.30 N ATOM 1156 CZ ARG A 72 34.777 29.299 30.732 1.00 50.64 C ATOM 1157 NH1 ARG A 72 33.721 30.066 30.901 1.00 49.20 N ATOM 1158 NH2 ARG A 72 35.317 28.659 31.753 1.00 49.20 N ATOM 0 H ARG A 72 34.572 33.176 24.701 1.00 49.53 H new ATOM 0 HA ARG A 72 34.265 33.778 27.470 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.790 31.582 26.641 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.418 31.401 26.019 1.00 49.82 H new ATOM 0 HG2 ARG A 72 36.350 31.285 28.224 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.844 31.794 28.962 1.00 49.82 H new ATOM 0 HD2 ARG A 72 33.776 29.731 28.287 1.00 50.20 H new ATOM 0 HD3 ARG A 72 35.228 29.226 27.446 1.00 50.20 H new ATOM 0 HE ARG A 72 36.186 28.582 29.453 1.00 49.30 H new ATOM 0 HH11 ARG A 72 33.325 30.570 30.108 1.00 49.20 H new ATOM 0 HH12 ARG A 72 33.299 30.156 31.825 1.00 49.20 H new ATOM 0 HH21 ARG A 72 36.147 28.082 31.612 1.00 49.20 H new ATOM 0 HH22 ARG A 72 34.905 28.741 32.682 1.00 49.20 H new ATOM 1172 N LEU A 73 36.521 34.727 28.082 1.00 49.53 N ATOM 1173 CA LEU A 73 37.884 35.157 28.481 1.00 50.07 C ATOM 1174 C LEU A 73 38.401 34.197 29.543 1.00 50.51 C ATOM 1175 O LEU A 73 37.641 33.400 30.114 1.00 49.49 O ATOM 1176 CB LEU A 73 37.864 36.597 29.009 1.00 49.82 C ATOM 1177 CG LEU A 73 37.224 37.628 28.070 1.00 49.91 C ATOM 1178 CD1 LEU A 73 37.181 38.992 28.744 1.00 49.73 C ATOM 1179 CD2 LEU A 73 38.013 37.691 26.771 1.00 49.73 C ATOM 0 H LEU A 73 35.758 35.212 28.554 1.00 49.53 H new ATOM 0 HA LEU A 73 38.547 35.137 27.616 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.328 36.612 29.958 1.00 49.82 H new ATOM 0 HB3 LEU A 73 38.889 36.905 29.217 1.00 49.82 H new ATOM 0 HG LEU A 73 36.201 37.328 27.844 1.00 49.91 H new ATOM 0 HD11 LEU A 73 36.725 39.717 28.070 1.00 49.73 H new ATOM 0 HD12 LEU A 73 36.592 38.927 29.659 1.00 49.73 H new ATOM 0 HD13 LEU A 73 38.195 39.310 28.987 1.00 49.73 H new ATOM 0 HD21 LEU A 73 37.558 38.423 26.104 1.00 49.73 H new ATOM 0 HD22 LEU A 73 39.041 37.983 26.984 1.00 49.73 H new ATOM 0 HD23 LEU A 73 38.006 36.711 26.293 1.00 49.73 H new ATOM 1191 N ARG A 74 39.705 34.284 29.751 1.00 49.53 N ATOM 1192 CA ARG A 74 40.403 33.437 30.731 1.00 50.07 C ATOM 1193 C ARG A 74 41.304 34.308 31.602 1.00 50.51 C ATOM 1194 O ARG A 74 42.419 33.901 31.972 1.00 49.49 O ATOM 1195 CB ARG A 74 41.176 32.303 30.074 1.00 49.82 C ATOM 1196 CG ARG A 74 40.342 31.388 29.191 1.00 49.82 C ATOM 1197 CD ARG A 74 41.138 30.471 28.335 1.00 50.20 C ATOM 1198 NE ARG A 74 41.913 29.482 29.068 1.00 49.30 N ATOM 1199 CZ ARG A 74 41.430 28.304 29.508 1.00 50.64 C ATOM 1200 NH1 ARG A 74 40.170 27.979 29.325 1.00 49.20 N ATOM 1201 NH2 ARG A 74 42.253 27.493 30.150 1.00 49.20 N ATOM 0 H ARG A 74 40.314 34.935 29.255 1.00 49.53 H new ATOM 0 HA ARG A 74 39.656 32.957 31.362 1.00 50.07 H new ATOM 0 HB2 ARG A 74 41.979 32.730 29.474 1.00 49.82 H new ATOM 0 HB3 ARG A 74 41.645 31.703 30.854 1.00 49.82 H new ATOM 0 HG2 ARG A 74 39.683 30.794 29.824 1.00 49.82 H new ATOM 0 HG3 ARG A 74 39.705 32.000 28.553 1.00 49.82 H new ATOM 0 HD2 ARG A 74 40.463 29.953 27.654 1.00 50.20 H new ATOM 0 HD3 ARG A 74 41.817 31.064 27.722 1.00 50.20 H new ATOM 0 HE ARG A 74 42.891 29.696 29.263 1.00 49.30 H new ATOM 0 HH11 ARG A 74 39.542 28.623 28.844 1.00 49.20 H new ATOM 0 HH12 ARG A 74 39.820 27.083 29.664 1.00 49.20 H new ATOM 0 HH21 ARG A 74 43.224 27.766 30.300 1.00 49.20 H new ATOM 0 HH22 ARG A 74 41.917 26.594 30.495 1.00 49.20 H new ATOM 1215 N GLY A 75 40.734 35.424 32.046 1.00 49.53 N ATOM 1216 CA GLY A 75 41.419 36.383 32.901 1.00 49.98 C ATOM 1217 C GLY A 75 40.670 37.699 32.824 1.00 50.51 C ATOM 1218 O GLY A 75 40.137 38.097 31.775 1.00 49.49 O ATOM 0 H GLY A 75 39.775 35.689 31.820 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.451 36.022 33.929 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.452 36.513 32.577 1.00 49.98 H new ATOM 1222 N GLY A 76 40.769 38.430 33.919 1.00 49.53 N ATOM 1223 CA GLY A 76 40.153 39.753 34.100 1.00 49.98 C ATOM 1224 C GLY A 76 39.845 39.890 35.600 1.00 50.51 C ATOM 1225 O GLY A 76 38.741 40.390 35.895 1.00 49.49 O ATOM 0 H GLY A 76 41.293 38.120 34.737 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.827 40.543 33.769 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.242 39.841 33.507 1.00 49.98 H new TER 1229 GLY A 76