USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 571 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 7 THR OG1 : rot 135:sc= 0.355 USER MOD Set 1.2: A 9 THR OG1 : rot -170:sc= 0.245 USER MOD Single : A 1 MET CE :methyl -148:sc= 0 (180deg=-0.505) USER MOD Single : A 1 MET N :NH3+ 146:sc= 1.06 (180deg=0.337) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.122) 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 -86:sc= 0.299 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.178 USER MOD Single : A 25 ASN : amide:sc= -0.465 X(o=-0.47,f=-0.00039) USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= 0.0901 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -0.121 (180deg=-0.682) USER MOD Single : A 31 GLN : amide:sc= -0.84 K(o=-0.84,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.064) USER MOD Single : A 41 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.5) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.018 (180deg=-0.377) USER MOD Single : A 49 GLN : amide:sc= -6.7! C(o=-6.7!,f=-9.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.587 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.308 F(o=-1.8,f=-0.31) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.067 (180deg=-0.514) USER MOD Single : A 66 THR OG1 : rot 41:sc= 0.186 USER MOD Single : A 68 HIS : no HD1:sc=-0.00769 X(o=-0.0077,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.394 30.953 2.138 1.00 0.00 N ATOM 2 CA MET A 1 31.479 32.310 2.746 1.00 0.00 C ATOM 3 C MET A 1 32.396 32.261 3.961 1.00 0.00 C ATOM 4 O MET A 1 32.767 31.183 4.427 1.00 0.00 O ATOM 5 CB MET A 1 30.080 32.770 3.167 1.00 0.00 C ATOM 6 CG MET A 1 29.397 31.676 3.995 1.00 0.00 C ATOM 7 SD MET A 1 27.774 32.262 4.548 1.00 0.00 S ATOM 8 CE MET A 1 27.710 31.369 6.123 1.00 0.00 C ATOM 0 H1 MET A 1 30.442 30.808 1.745 1.00 0.00 H new ATOM 0 H2 MET A 1 32.099 30.868 1.378 1.00 0.00 H new ATOM 0 H3 MET A 1 31.582 30.234 2.866 1.00 0.00 H new ATOM 0 HA MET A 1 31.882 33.014 2.018 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.150 33.689 3.750 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.482 32.997 2.285 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.285 30.770 3.399 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.014 31.417 4.855 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.676 31.112 6.354 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.303 30.457 6.049 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.112 32.000 6.916 1.00 0.00 H new ATOM 20 N GLN A 2 32.765 33.437 4.472 1.00 0.00 N ATOM 21 CA GLN A 2 33.642 33.528 5.639 1.00 0.00 C ATOM 22 C GLN A 2 32.917 34.208 6.797 1.00 0.00 C ATOM 23 O GLN A 2 31.956 34.950 6.595 1.00 0.00 O ATOM 24 CB GLN A 2 34.891 34.335 5.277 1.00 0.00 C ATOM 25 CG GLN A 2 34.487 35.755 4.873 1.00 0.00 C ATOM 26 CD GLN A 2 35.674 36.473 4.237 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.411 37.182 4.923 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.906 36.329 2.961 1.00 0.00 N ATOM 0 H GLN A 2 32.470 34.338 4.096 1.00 0.00 H new ATOM 0 HA GLN A 2 33.928 32.521 5.944 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.573 34.368 6.126 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.424 33.851 4.459 1.00 0.00 H new ATOM 0 HG2 GLN A 2 33.654 35.719 4.171 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.143 36.307 5.748 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.294 35.741 2.395 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.699 36.804 2.530 1.00 0.00 H new ATOM 37 N ILE A 3 33.409 33.967 8.008 1.00 0.00 N ATOM 38 CA ILE A 3 32.831 34.579 9.204 1.00 0.00 C ATOM 39 C ILE A 3 33.875 34.670 10.302 1.00 0.00 C ATOM 40 O ILE A 3 34.985 34.165 10.158 1.00 0.00 O ATOM 41 CB ILE A 3 31.608 33.798 9.715 1.00 0.00 C ATOM 42 CG1 ILE A 3 31.977 32.314 9.925 1.00 0.00 C ATOM 43 CG2 ILE A 3 30.449 33.934 8.715 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.710 31.453 9.962 1.00 0.00 C ATOM 0 H ILE A 3 34.204 33.354 8.189 1.00 0.00 H new ATOM 0 HA ILE A 3 32.498 35.580 8.929 1.00 0.00 H new ATOM 0 HB ILE A 3 31.291 34.211 10.673 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.631 31.977 9.121 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.531 32.198 10.856 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.585 33.379 9.081 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.185 34.986 8.605 1.00 0.00 H new ATOM 0 HG23 ILE A 3 30.754 33.534 7.748 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.984 30.409 10.111 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.071 31.781 10.782 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.172 31.556 9.020 1.00 0.00 H new ATOM 56 N PHE A 4 33.508 35.328 11.394 1.00 0.00 N ATOM 57 CA PHE A 4 34.413 35.501 12.528 1.00 0.00 C ATOM 58 C PHE A 4 33.907 34.735 13.740 1.00 0.00 C ATOM 59 O PHE A 4 32.709 34.733 14.030 1.00 0.00 O ATOM 60 CB PHE A 4 34.510 36.985 12.885 1.00 0.00 C ATOM 61 CG PHE A 4 35.025 37.765 11.698 1.00 0.00 C ATOM 62 CD1 PHE A 4 34.132 38.225 10.723 1.00 0.00 C ATOM 63 CD2 PHE A 4 36.393 38.039 11.580 1.00 0.00 C ATOM 64 CE1 PHE A 4 34.607 38.957 9.628 1.00 0.00 C ATOM 65 CE2 PHE A 4 36.868 38.771 10.485 1.00 0.00 C ATOM 66 CZ PHE A 4 35.975 39.231 9.510 1.00 0.00 C ATOM 0 H PHE A 4 32.589 35.752 11.521 1.00 0.00 H new ATOM 0 HA PHE A 4 35.394 35.117 12.247 1.00 0.00 H new ATOM 0 HB2 PHE A 4 33.531 37.362 13.182 1.00 0.00 H new ATOM 0 HB3 PHE A 4 35.176 37.121 13.737 1.00 0.00 H new ATOM 0 HD1 PHE A 4 33.077 38.015 10.815 1.00 0.00 H new ATOM 0 HD2 PHE A 4 37.082 37.686 12.333 1.00 0.00 H new ATOM 0 HE1 PHE A 4 33.918 39.310 8.875 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.923 38.981 10.393 1.00 0.00 H new ATOM 0 HZ PHE A 4 36.341 39.797 8.667 1.00 0.00 H new ATOM 76 N VAL A 5 34.828 34.095 14.461 1.00 0.00 N ATOM 77 CA VAL A 5 34.478 33.338 15.662 1.00 0.00 C ATOM 78 C VAL A 5 35.129 33.989 16.870 1.00 0.00 C ATOM 79 O VAL A 5 36.345 34.178 16.914 1.00 0.00 O ATOM 80 CB VAL A 5 34.940 31.882 15.523 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.874 31.180 16.888 1.00 0.00 C ATOM 82 CG2 VAL A 5 34.013 31.160 14.544 1.00 0.00 C ATOM 0 H VAL A 5 35.822 34.086 14.234 1.00 0.00 H new ATOM 0 HA VAL A 5 33.396 33.341 15.792 1.00 0.00 H new ATOM 0 HB VAL A 5 35.966 31.860 15.157 1.00 0.00 H new ATOM 0 HG11 VAL A 5 35.203 30.146 16.782 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.523 31.697 17.595 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.849 31.198 17.257 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.333 30.123 14.438 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.991 31.188 14.923 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.054 31.654 13.573 1.00 0.00 H new ATOM 92 N LYS A 6 34.298 34.346 17.833 1.00 0.00 N ATOM 93 CA LYS A 6 34.762 35.006 19.051 1.00 0.00 C ATOM 94 C LYS A 6 34.720 34.044 20.235 1.00 0.00 C ATOM 95 O LYS A 6 33.715 33.367 20.456 1.00 0.00 O ATOM 96 CB LYS A 6 33.850 36.202 19.333 1.00 0.00 C ATOM 97 CG LYS A 6 34.512 37.139 20.338 1.00 0.00 C ATOM 98 CD LYS A 6 33.624 38.372 20.525 1.00 0.00 C ATOM 99 CE LYS A 6 34.214 39.280 21.605 1.00 0.00 C ATOM 100 NZ LYS A 6 35.468 39.904 21.098 1.00 0.00 N ATOM 0 H LYS A 6 33.290 34.191 17.799 1.00 0.00 H new ATOM 0 HA LYS A 6 35.792 35.335 18.913 1.00 0.00 H new ATOM 0 HB2 LYS A 6 33.642 36.737 18.407 1.00 0.00 H new ATOM 0 HB3 LYS A 6 32.893 35.856 19.723 1.00 0.00 H new ATOM 0 HG2 LYS A 6 34.655 36.629 21.291 1.00 0.00 H new ATOM 0 HG3 LYS A 6 35.499 37.436 19.984 1.00 0.00 H new ATOM 0 HD2 LYS A 6 33.541 38.917 19.585 1.00 0.00 H new ATOM 0 HD3 LYS A 6 32.616 38.066 20.806 1.00 0.00 H new ATOM 0 HE2 LYS A 6 33.495 40.053 21.878 1.00 0.00 H new ATOM 0 HE3 LYS A 6 34.421 38.704 22.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 35.769 40.657 21.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 36.214 39.182 21.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 35.298 40.309 20.155 1.00 0.00 H new ATOM 114 N THR A 7 35.815 33.985 20.997 1.00 0.00 N ATOM 115 CA THR A 7 35.887 33.098 22.163 1.00 0.00 C ATOM 116 C THR A 7 35.804 33.910 23.451 1.00 0.00 C ATOM 117 O THR A 7 35.711 35.138 23.423 1.00 0.00 O ATOM 118 CB THR A 7 37.195 32.300 22.147 1.00 0.00 C ATOM 119 OG1 THR A 7 38.270 33.143 22.535 1.00 0.00 O ATOM 120 CG2 THR A 7 37.451 31.753 20.741 1.00 0.00 C ATOM 0 H THR A 7 36.658 34.535 20.831 1.00 0.00 H new ATOM 0 HA THR A 7 35.046 32.407 22.119 1.00 0.00 H new ATOM 0 HB THR A 7 37.117 31.467 22.846 1.00 0.00 H new ATOM 0 HG1 THR A 7 38.843 32.670 23.174 1.00 0.00 H new ATOM 0 HG21 THR A 7 38.382 31.186 20.735 1.00 0.00 H new ATOM 0 HG22 THR A 7 36.628 31.101 20.449 1.00 0.00 H new ATOM 0 HG23 THR A 7 37.526 32.581 20.036 1.00 0.00 H new ATOM 128 N LEU A 8 35.857 33.225 24.587 1.00 0.00 N ATOM 129 CA LEU A 8 35.793 33.909 25.871 1.00 0.00 C ATOM 130 C LEU A 8 37.085 34.683 26.141 1.00 0.00 C ATOM 131 O LEU A 8 37.090 35.642 26.913 1.00 0.00 O ATOM 132 CB LEU A 8 35.541 32.892 26.999 1.00 0.00 C ATOM 133 CG LEU A 8 35.538 33.602 28.363 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.504 34.734 28.359 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.189 32.595 29.469 1.00 0.00 C ATOM 0 H LEU A 8 35.943 32.210 24.645 1.00 0.00 H new ATOM 0 HA LEU A 8 34.968 34.620 25.840 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.586 32.390 26.840 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.312 32.122 26.983 1.00 0.00 H new ATOM 0 HG LEU A 8 36.528 34.019 28.550 1.00 0.00 H new ATOM 0 HD11 LEU A 8 34.507 35.233 29.328 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.755 35.454 27.580 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.514 34.321 28.166 1.00 0.00 H new ATOM 0 HD21 LEU A 8 35.188 33.101 30.434 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.202 32.173 29.279 1.00 0.00 H new ATOM 0 HD23 LEU A 8 35.929 31.795 29.480 1.00 0.00 H new ATOM 147 N THR A 9 38.180 34.261 25.518 1.00 0.00 N ATOM 148 CA THR A 9 39.462 34.934 25.720 1.00 0.00 C ATOM 149 C THR A 9 39.567 36.174 24.837 1.00 0.00 C ATOM 150 O THR A 9 40.632 36.786 24.743 1.00 0.00 O ATOM 151 CB THR A 9 40.620 33.983 25.403 1.00 0.00 C ATOM 152 OG1 THR A 9 40.430 33.413 24.117 1.00 0.00 O ATOM 153 CG2 THR A 9 40.675 32.874 26.453 1.00 0.00 C ATOM 0 H THR A 9 38.209 33.468 24.877 1.00 0.00 H new ATOM 0 HA THR A 9 39.521 35.238 26.765 1.00 0.00 H new ATOM 0 HB THR A 9 41.557 34.539 25.416 1.00 0.00 H new ATOM 0 HG1 THR A 9 41.079 32.692 23.980 1.00 0.00 H new ATOM 0 HG21 THR A 9 41.500 32.198 26.226 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.827 33.314 27.439 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.737 32.318 26.444 1.00 0.00 H new ATOM 161 N GLY A 10 38.457 36.558 24.206 1.00 0.00 N ATOM 162 CA GLY A 10 38.454 37.738 23.349 1.00 0.00 C ATOM 163 C GLY A 10 39.270 37.500 22.087 1.00 0.00 C ATOM 164 O GLY A 10 39.743 38.445 21.453 1.00 0.00 O ATOM 0 H GLY A 10 37.561 36.075 24.272 1.00 0.00 H new ATOM 0 HA2 GLY A 10 37.429 37.994 23.080 1.00 0.00 H new ATOM 0 HA3 GLY A 10 38.862 38.589 23.895 1.00 0.00 H new ATOM 168 N LYS A 11 39.421 36.233 21.713 1.00 0.00 N ATOM 169 CA LYS A 11 40.170 35.884 20.510 1.00 0.00 C ATOM 170 C LYS A 11 39.236 35.890 19.308 1.00 0.00 C ATOM 171 O LYS A 11 38.139 35.334 19.367 1.00 0.00 O ATOM 172 CB LYS A 11 40.792 34.490 20.655 1.00 0.00 C ATOM 173 CG LYS A 11 41.964 34.539 21.643 1.00 0.00 C ATOM 174 CD LYS A 11 42.595 33.146 21.753 1.00 0.00 C ATOM 175 CE LYS A 11 43.662 33.146 22.851 1.00 0.00 C ATOM 176 NZ LYS A 11 44.231 31.775 22.990 1.00 0.00 N ATOM 0 H LYS A 11 39.038 35.436 22.221 1.00 0.00 H new ATOM 0 HA LYS A 11 40.964 36.617 20.368 1.00 0.00 H new ATOM 0 HB2 LYS A 11 40.040 33.782 21.004 1.00 0.00 H new ATOM 0 HB3 LYS A 11 41.138 34.134 19.685 1.00 0.00 H new ATOM 0 HG2 LYS A 11 42.708 35.262 21.307 1.00 0.00 H new ATOM 0 HG3 LYS A 11 41.616 34.871 22.621 1.00 0.00 H new ATOM 0 HD2 LYS A 11 41.827 32.406 21.979 1.00 0.00 H new ATOM 0 HD3 LYS A 11 43.041 32.862 20.800 1.00 0.00 H new ATOM 0 HE2 LYS A 11 44.452 33.856 22.606 1.00 0.00 H new ATOM 0 HE3 LYS A 11 43.226 33.468 23.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 44.956 31.774 23.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 43.473 31.109 23.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 44.661 31.485 22.089 1.00 0.00 H new ATOM 190 N THR A 12 39.676 36.509 18.213 1.00 0.00 N ATOM 191 CA THR A 12 38.871 36.569 16.991 1.00 0.00 C ATOM 192 C THR A 12 39.606 35.861 15.867 1.00 0.00 C ATOM 193 O THR A 12 40.738 36.206 15.528 1.00 0.00 O ATOM 194 CB THR A 12 38.613 38.022 16.587 1.00 0.00 C ATOM 195 OG1 THR A 12 38.105 38.738 17.704 1.00 0.00 O ATOM 196 CG2 THR A 12 37.585 38.055 15.448 1.00 0.00 C ATOM 0 H THR A 12 40.581 36.974 18.146 1.00 0.00 H new ATOM 0 HA THR A 12 37.915 36.080 17.179 1.00 0.00 H new ATOM 0 HB THR A 12 39.543 38.482 16.253 1.00 0.00 H new ATOM 0 HG1 THR A 12 37.941 39.670 17.448 1.00 0.00 H new ATOM 0 HG21 THR A 12 37.398 39.089 15.157 1.00 0.00 H new ATOM 0 HG22 THR A 12 37.972 37.501 14.593 1.00 0.00 H new ATOM 0 HG23 THR A 12 36.654 37.599 15.785 1.00 0.00 H new ATOM 204 N ILE A 13 38.950 34.865 15.293 1.00 0.00 N ATOM 205 CA ILE A 13 39.536 34.095 14.198 1.00 0.00 C ATOM 206 C ILE A 13 38.535 33.946 13.069 1.00 0.00 C ATOM 207 O ILE A 13 37.333 33.815 13.300 1.00 0.00 O ATOM 208 CB ILE A 13 39.969 32.716 14.695 1.00 0.00 C ATOM 209 CG1 ILE A 13 40.718 31.987 13.578 1.00 0.00 C ATOM 210 CG2 ILE A 13 38.738 31.903 15.098 1.00 0.00 C ATOM 211 CD1 ILE A 13 41.376 30.727 14.141 1.00 0.00 C ATOM 0 H ILE A 13 38.013 34.568 15.564 1.00 0.00 H new ATOM 0 HA ILE A 13 40.411 34.628 13.827 1.00 0.00 H new ATOM 0 HB ILE A 13 40.623 32.832 15.560 1.00 0.00 H new ATOM 0 HG12 ILE A 13 40.029 31.722 12.776 1.00 0.00 H new ATOM 0 HG13 ILE A 13 41.474 32.642 13.145 1.00 0.00 H new ATOM 0 HG21 ILE A 13 39.051 30.921 15.452 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.204 32.422 15.894 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.081 31.786 14.236 1.00 0.00 H new ATOM 0 HD11 ILE A 13 41.909 30.208 13.345 1.00 0.00 H new ATOM 0 HD12 ILE A 13 42.078 31.004 14.928 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.610 30.070 14.553 1.00 0.00 H new ATOM 223 N THR A 14 39.038 33.976 11.842 1.00 0.00 N ATOM 224 CA THR A 14 38.178 33.845 10.671 1.00 0.00 C ATOM 225 C THR A 14 38.211 32.416 10.144 1.00 0.00 C ATOM 226 O THR A 14 39.269 31.795 10.050 1.00 0.00 O ATOM 227 CB THR A 14 38.620 34.819 9.579 1.00 0.00 C ATOM 228 OG1 THR A 14 38.908 36.079 10.169 1.00 0.00 O ATOM 229 CG2 THR A 14 37.490 34.982 8.555 1.00 0.00 C ATOM 0 H THR A 14 40.030 34.089 11.631 1.00 0.00 H new ATOM 0 HA THR A 14 37.156 34.085 10.963 1.00 0.00 H new ATOM 0 HB THR A 14 39.509 34.434 9.080 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.083 36.603 10.240 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.803 35.676 7.775 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.261 34.014 8.109 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.602 35.371 9.052 1.00 0.00 H new ATOM 237 N LEU A 15 37.027 31.905 9.813 1.00 0.00 N ATOM 238 CA LEU A 15 36.875 30.542 9.303 1.00 0.00 C ATOM 239 C LEU A 15 36.159 30.566 7.950 1.00 0.00 C ATOM 240 O LEU A 15 35.282 31.400 7.713 1.00 0.00 O ATOM 241 CB LEU A 15 36.049 29.722 10.327 1.00 0.00 C ATOM 242 CG LEU A 15 36.917 28.680 11.048 1.00 0.00 C ATOM 243 CD1 LEU A 15 38.019 29.376 11.860 1.00 0.00 C ATOM 244 CD2 LEU A 15 36.026 27.865 11.992 1.00 0.00 C ATOM 0 H LEU A 15 36.150 32.420 9.890 1.00 0.00 H new ATOM 0 HA LEU A 15 37.855 30.085 9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.604 30.396 11.059 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.228 29.221 9.815 1.00 0.00 H new ATOM 0 HG LEU A 15 37.384 28.026 10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.627 28.626 12.366 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.649 29.962 11.191 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.565 30.034 12.600 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.630 27.121 12.511 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.565 28.530 12.722 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.248 27.363 11.416 1.00 0.00 H new ATOM 256 N GLU A 16 36.511 29.617 7.083 1.00 0.00 N ATOM 257 CA GLU A 16 35.873 29.504 5.767 1.00 0.00 C ATOM 258 C GLU A 16 34.887 28.345 5.805 1.00 0.00 C ATOM 259 O GLU A 16 35.268 27.208 6.079 1.00 0.00 O ATOM 260 CB GLU A 16 36.918 29.264 4.670 1.00 0.00 C ATOM 261 CG GLU A 16 37.944 30.399 4.672 1.00 0.00 C ATOM 262 CD GLU A 16 38.818 30.311 3.426 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.265 29.219 3.115 1.00 0.00 O ATOM 264 OE2 GLU A 16 39.027 31.337 2.800 1.00 0.00 O ATOM 0 H GLU A 16 37.231 28.917 7.265 1.00 0.00 H new ATOM 0 HA GLU A 16 35.354 30.435 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.418 28.310 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.430 29.205 3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.434 31.362 4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.564 30.339 5.567 1.00 0.00 H new ATOM 271 N VAL A 17 33.616 28.637 5.542 1.00 0.00 N ATOM 272 CA VAL A 17 32.588 27.595 5.571 1.00 0.00 C ATOM 273 C VAL A 17 31.521 27.830 4.507 1.00 0.00 C ATOM 274 O VAL A 17 31.393 28.927 3.962 1.00 0.00 O ATOM 275 CB VAL A 17 31.947 27.521 6.974 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.001 27.828 8.041 1.00 0.00 C ATOM 277 CG2 VAL A 17 30.809 28.536 7.099 1.00 0.00 C ATOM 0 H VAL A 17 33.275 29.570 5.310 1.00 0.00 H new ATOM 0 HA VAL A 17 33.069 26.642 5.348 1.00 0.00 H new ATOM 0 HB VAL A 17 31.550 26.516 7.117 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.544 27.775 9.029 1.00 0.00 H new ATOM 0 HG12 VAL A 17 33.809 27.099 7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.401 28.829 7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.369 28.469 8.094 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.199 29.541 6.941 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.046 28.322 6.350 1.00 0.00 H new ATOM 287 N GLU A 18 30.739 26.785 4.242 1.00 0.00 N ATOM 288 CA GLU A 18 29.658 26.854 3.265 1.00 0.00 C ATOM 289 C GLU A 18 28.337 27.078 4.002 1.00 0.00 C ATOM 290 O GLU A 18 28.198 26.677 5.157 1.00 0.00 O ATOM 291 CB GLU A 18 29.597 25.542 2.474 1.00 0.00 C ATOM 292 CG GLU A 18 30.736 25.503 1.453 1.00 0.00 C ATOM 293 CD GLU A 18 30.724 24.170 0.713 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.456 23.164 1.350 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.983 24.174 -0.478 1.00 0.00 O ATOM 0 H GLU A 18 30.836 25.876 4.694 1.00 0.00 H new ATOM 0 HA GLU A 18 29.835 27.677 2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.675 24.693 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 18 28.637 25.457 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.628 26.324 0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.693 25.641 1.957 1.00 0.00 H new ATOM 302 N PRO A 19 27.374 27.705 3.379 1.00 0.00 N ATOM 303 CA PRO A 19 26.059 27.974 4.029 1.00 0.00 C ATOM 304 C PRO A 19 25.300 26.681 4.309 1.00 0.00 C ATOM 305 O PRO A 19 24.289 26.682 5.013 1.00 0.00 O ATOM 306 CB PRO A 19 25.319 28.855 3.005 1.00 0.00 C ATOM 307 CG PRO A 19 25.949 28.524 1.693 1.00 0.00 C ATOM 308 CD PRO A 19 27.414 28.219 1.997 1.00 0.00 C ATOM 0 HA PRO A 19 26.161 28.457 5.001 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.251 28.640 2.997 1.00 0.00 H new ATOM 0 HB3 PRO A 19 25.429 29.913 3.241 1.00 0.00 H new ATOM 0 HG2 PRO A 19 25.460 27.667 1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 19 25.860 29.357 0.996 1.00 0.00 H new ATOM 0 HD2 PRO A 19 27.823 27.482 1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.035 29.111 1.917 1.00 0.00 H new ATOM 316 N SER A 20 25.784 25.578 3.734 1.00 0.00 N ATOM 317 CA SER A 20 25.137 24.277 3.898 1.00 0.00 C ATOM 318 C SER A 20 25.951 23.363 4.811 1.00 0.00 C ATOM 319 O SER A 20 25.627 22.185 4.960 1.00 0.00 O ATOM 320 CB SER A 20 24.983 23.614 2.529 1.00 0.00 C ATOM 321 OG SER A 20 26.271 23.387 1.969 1.00 0.00 O ATOM 0 H SER A 20 26.621 25.561 3.151 1.00 0.00 H new ATOM 0 HA SER A 20 24.160 24.436 4.355 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.445 22.671 2.627 1.00 0.00 H new ATOM 0 HB3 SER A 20 24.394 24.250 1.868 1.00 0.00 H new ATOM 0 HG SER A 20 26.176 22.960 1.092 1.00 0.00 H new ATOM 327 N ASP A 21 26.999 23.902 5.429 1.00 0.00 N ATOM 328 CA ASP A 21 27.827 23.111 6.325 1.00 0.00 C ATOM 329 C ASP A 21 27.019 22.685 7.545 1.00 0.00 C ATOM 330 O ASP A 21 26.141 23.415 8.004 1.00 0.00 O ATOM 331 CB ASP A 21 29.046 23.941 6.755 1.00 0.00 C ATOM 332 CG ASP A 21 30.127 23.912 5.674 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.013 23.110 4.764 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.060 24.688 5.781 1.00 0.00 O ATOM 0 H ASP A 21 27.290 24.874 5.325 1.00 0.00 H new ATOM 0 HA ASP A 21 28.168 22.214 5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.743 24.970 6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.448 23.549 7.689 1.00 0.00 H new ATOM 339 N THR A 22 27.321 21.498 8.068 1.00 0.00 N ATOM 340 CA THR A 22 26.613 20.989 9.239 1.00 0.00 C ATOM 341 C THR A 22 27.319 21.438 10.507 1.00 0.00 C ATOM 342 O THR A 22 28.532 21.634 10.510 1.00 0.00 O ATOM 343 CB THR A 22 26.560 19.458 9.202 1.00 0.00 C ATOM 344 OG1 THR A 22 27.879 18.942 9.092 1.00 0.00 O ATOM 345 CG2 THR A 22 25.726 18.996 8.005 1.00 0.00 C ATOM 0 H THR A 22 28.043 20.877 7.704 1.00 0.00 H new ATOM 0 HA THR A 22 25.597 21.383 9.230 1.00 0.00 H new ATOM 0 HB THR A 22 26.101 19.091 10.120 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.846 17.963 9.070 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.692 17.907 7.984 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.713 19.389 8.094 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.178 19.363 7.083 1.00 0.00 H new ATOM 353 N ILE A 23 26.560 21.599 11.579 1.00 0.00 N ATOM 354 CA ILE A 23 27.150 22.023 12.840 1.00 0.00 C ATOM 355 C ILE A 23 28.314 21.110 13.196 1.00 0.00 C ATOM 356 O ILE A 23 29.200 21.483 13.960 1.00 0.00 O ATOM 357 CB ILE A 23 26.099 21.985 13.953 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.791 22.620 13.461 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.609 22.758 15.169 1.00 0.00 C ATOM 360 CD1 ILE A 23 25.076 23.963 12.777 1.00 0.00 C ATOM 0 H ILE A 23 25.552 21.446 11.604 1.00 0.00 H new ATOM 0 HA ILE A 23 27.514 23.045 12.735 1.00 0.00 H new ATOM 0 HB ILE A 23 25.914 20.947 14.230 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.292 21.947 12.763 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.112 22.769 14.301 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.859 22.729 15.959 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.532 22.303 15.528 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.800 23.794 14.888 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.140 24.402 12.433 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.554 24.638 13.486 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.737 23.804 11.925 1.00 0.00 H new ATOM 372 N GLU A 24 28.314 19.916 12.618 1.00 0.00 N ATOM 373 CA GLU A 24 29.381 18.958 12.868 1.00 0.00 C ATOM 374 C GLU A 24 30.642 19.364 12.106 1.00 0.00 C ATOM 375 O GLU A 24 31.705 19.544 12.699 1.00 0.00 O ATOM 376 CB GLU A 24 28.930 17.559 12.437 1.00 0.00 C ATOM 377 CG GLU A 24 29.997 16.534 12.822 1.00 0.00 C ATOM 378 CD GLU A 24 29.459 15.120 12.633 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.266 14.933 12.810 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.248 14.244 12.316 1.00 0.00 O ATOM 0 H GLU A 24 27.591 19.590 11.977 1.00 0.00 H new ATOM 0 HA GLU A 24 29.608 18.946 13.934 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.982 17.309 12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.761 17.536 11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 24 30.887 16.677 12.210 1.00 0.00 H new ATOM 0 HG3 GLU A 24 30.296 16.682 13.860 1.00 0.00 H new ATOM 387 N ASN A 25 30.511 19.505 10.792 1.00 0.00 N ATOM 388 CA ASN A 25 31.639 19.888 9.955 1.00 0.00 C ATOM 389 C ASN A 25 32.253 21.196 10.450 1.00 0.00 C ATOM 390 O ASN A 25 33.473 21.349 10.484 1.00 0.00 O ATOM 391 CB ASN A 25 31.165 20.058 8.512 1.00 0.00 C ATOM 392 CG ASN A 25 32.351 20.320 7.593 1.00 0.00 C ATOM 393 OD1 ASN A 25 32.285 21.191 6.724 1.00 0.00 O ATOM 394 ND2 ASN A 25 33.439 19.615 7.733 1.00 0.00 N ATOM 0 H ASN A 25 29.637 19.360 10.286 1.00 0.00 H new ATOM 0 HA ASN A 25 32.397 19.106 10.005 1.00 0.00 H new ATOM 0 HB2 ASN A 25 30.636 19.162 8.188 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.458 20.885 8.449 1.00 0.00 H new ATOM 0 HD21 ASN A 25 34.238 19.784 7.122 1.00 0.00 H new ATOM 0 HD22 ASN A 25 33.491 18.895 8.453 1.00 0.00 H new ATOM 401 N VAL A 26 31.402 22.143 10.829 1.00 0.00 N ATOM 402 CA VAL A 26 31.888 23.431 11.309 1.00 0.00 C ATOM 403 C VAL A 26 32.634 23.263 12.631 1.00 0.00 C ATOM 404 O VAL A 26 33.639 23.928 12.877 1.00 0.00 O ATOM 405 CB VAL A 26 30.724 24.415 11.475 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.269 25.773 11.912 1.00 0.00 C ATOM 407 CG2 VAL A 26 29.991 24.573 10.139 1.00 0.00 C ATOM 0 H VAL A 26 30.387 22.046 10.814 1.00 0.00 H new ATOM 0 HA VAL A 26 32.580 23.834 10.570 1.00 0.00 H new ATOM 0 HB VAL A 26 30.033 24.035 12.227 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.444 26.475 12.031 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.794 25.666 12.861 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.959 26.149 11.156 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.164 25.273 10.258 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.683 24.954 9.387 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.604 23.605 9.819 1.00 0.00 H new ATOM 417 N LYS A 27 32.145 22.363 13.477 1.00 0.00 N ATOM 418 CA LYS A 27 32.796 22.115 14.757 1.00 0.00 C ATOM 419 C LYS A 27 34.169 21.521 14.506 1.00 0.00 C ATOM 420 O LYS A 27 35.141 21.849 15.185 1.00 0.00 O ATOM 421 CB LYS A 27 31.948 21.163 15.611 1.00 0.00 C ATOM 422 CG LYS A 27 30.854 21.952 16.337 1.00 0.00 C ATOM 423 CD LYS A 27 29.855 20.982 16.979 1.00 0.00 C ATOM 424 CE LYS A 27 29.014 21.723 18.021 1.00 0.00 C ATOM 425 NZ LYS A 27 27.970 20.807 18.561 1.00 0.00 N ATOM 0 H LYS A 27 31.312 21.800 13.303 1.00 0.00 H new ATOM 0 HA LYS A 27 32.901 23.054 15.301 1.00 0.00 H new ATOM 0 HB2 LYS A 27 31.498 20.397 14.980 1.00 0.00 H new ATOM 0 HB3 LYS A 27 32.580 20.649 16.335 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.299 22.590 17.101 1.00 0.00 H new ATOM 0 HG3 LYS A 27 30.339 22.608 15.635 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.208 20.552 16.214 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.387 20.155 17.448 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.651 22.082 18.829 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.547 22.599 17.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.109 21.350 18.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.751 20.076 17.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 28.320 20.355 19.430 1.00 0.00 H new ATOM 439 N ALA A 28 34.231 20.652 13.511 1.00 0.00 N ATOM 440 CA ALA A 28 35.477 20.012 13.138 1.00 0.00 C ATOM 441 C ALA A 28 36.505 21.069 12.734 1.00 0.00 C ATOM 442 O ALA A 28 37.694 20.930 13.018 1.00 0.00 O ATOM 443 CB ALA A 28 35.211 19.055 11.975 1.00 0.00 C ATOM 0 H ALA A 28 33.428 20.374 12.946 1.00 0.00 H new ATOM 0 HA ALA A 28 35.875 19.453 13.984 1.00 0.00 H new ATOM 0 HB1 ALA A 28 36.142 18.567 11.685 1.00 0.00 H new ATOM 0 HB2 ALA A 28 34.486 18.301 12.283 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.815 19.614 11.127 1.00 0.00 H new ATOM 449 N LYS A 29 36.030 22.134 12.089 1.00 0.00 N ATOM 450 CA LYS A 29 36.916 23.221 11.676 1.00 0.00 C ATOM 451 C LYS A 29 37.487 23.909 12.916 1.00 0.00 C ATOM 452 O LYS A 29 38.668 24.267 12.966 1.00 0.00 O ATOM 453 CB LYS A 29 36.152 24.256 10.836 1.00 0.00 C ATOM 454 CG LYS A 29 35.746 23.649 9.491 1.00 0.00 C ATOM 455 CD LYS A 29 34.994 24.700 8.662 1.00 0.00 C ATOM 456 CE LYS A 29 34.577 24.091 7.323 1.00 0.00 C ATOM 457 NZ LYS A 29 35.791 23.649 6.582 1.00 0.00 N ATOM 0 H LYS A 29 35.049 22.267 11.844 1.00 0.00 H new ATOM 0 HA LYS A 29 37.721 22.802 11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.265 24.590 11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.776 25.135 10.673 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.630 23.309 8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.114 22.775 9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.115 25.046 9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.629 25.570 8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 29 33.910 23.245 7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.024 24.823 6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 35.570 23.571 5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.553 24.344 6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.099 22.723 6.941 1.00 0.00 H new ATOM 471 N ILE A 30 36.635 24.072 13.923 1.00 0.00 N ATOM 472 CA ILE A 30 37.044 24.700 15.164 1.00 0.00 C ATOM 473 C ILE A 30 38.068 23.827 15.885 1.00 0.00 C ATOM 474 O ILE A 30 39.085 24.320 16.362 1.00 0.00 O ATOM 475 CB ILE A 30 35.811 24.926 16.044 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.934 26.010 15.407 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.250 25.380 17.438 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.595 26.104 16.148 1.00 0.00 C ATOM 0 H ILE A 30 35.659 23.777 13.899 1.00 0.00 H new ATOM 0 HA ILE A 30 37.511 25.661 14.950 1.00 0.00 H new ATOM 0 HB ILE A 30 35.247 23.997 16.130 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.447 26.971 15.442 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.762 25.779 14.356 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.371 25.540 18.062 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.880 24.613 17.889 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.812 26.310 17.357 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.978 26.877 15.689 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.079 25.146 16.090 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.774 26.357 17.193 1.00 0.00 H new ATOM 490 N GLN A 31 37.790 22.531 15.963 1.00 0.00 N ATOM 491 CA GLN A 31 38.702 21.608 16.631 1.00 0.00 C ATOM 492 C GLN A 31 40.065 21.615 15.948 1.00 0.00 C ATOM 493 O GLN A 31 41.101 21.658 16.607 1.00 0.00 O ATOM 494 CB GLN A 31 38.133 20.187 16.600 1.00 0.00 C ATOM 495 CG GLN A 31 38.985 19.279 17.492 1.00 0.00 C ATOM 496 CD GLN A 31 38.509 17.835 17.382 1.00 0.00 C ATOM 497 OE1 GLN A 31 38.018 17.421 16.332 1.00 0.00 O ATOM 498 NE2 GLN A 31 38.627 17.039 18.410 1.00 0.00 N ATOM 0 H GLN A 31 36.951 22.098 15.577 1.00 0.00 H new ATOM 0 HA GLN A 31 38.817 21.933 17.665 1.00 0.00 H new ATOM 0 HB2 GLN A 31 37.099 20.190 16.946 1.00 0.00 H new ATOM 0 HB3 GLN A 31 38.126 19.808 15.578 1.00 0.00 H new ATOM 0 HG2 GLN A 31 40.032 19.348 17.198 1.00 0.00 H new ATOM 0 HG3 GLN A 31 38.922 19.612 18.528 1.00 0.00 H new ATOM 0 HE21 GLN A 31 39.034 17.385 19.279 1.00 0.00 H new ATOM 0 HE22 GLN A 31 38.312 16.071 18.344 1.00 0.00 H new ATOM 507 N ASP A 32 40.053 21.549 14.626 1.00 0.00 N ATOM 508 CA ASP A 32 41.293 21.526 13.860 1.00 0.00 C ATOM 509 C ASP A 32 42.166 22.743 14.162 1.00 0.00 C ATOM 510 O ASP A 32 43.392 22.636 14.197 1.00 0.00 O ATOM 511 CB ASP A 32 40.977 21.482 12.362 1.00 0.00 C ATOM 512 CG ASP A 32 40.457 20.099 11.979 1.00 0.00 C ATOM 513 OD1 ASP A 32 40.494 19.218 12.824 1.00 0.00 O ATOM 514 OD2 ASP A 32 40.033 19.940 10.847 1.00 0.00 O ATOM 0 H ASP A 32 39.204 21.511 14.062 1.00 0.00 H new ATOM 0 HA ASP A 32 41.846 20.633 14.151 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.233 22.240 12.116 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.872 21.715 11.786 1.00 0.00 H new ATOM 519 N LYS A 33 41.544 23.908 14.353 1.00 0.00 N ATOM 520 CA LYS A 33 42.308 25.133 14.618 1.00 0.00 C ATOM 521 C LYS A 33 42.565 25.370 16.114 1.00 0.00 C ATOM 522 O LYS A 33 43.640 25.839 16.486 1.00 0.00 O ATOM 523 CB LYS A 33 41.563 26.340 14.040 1.00 0.00 C ATOM 524 CG LYS A 33 41.315 26.120 12.545 1.00 0.00 C ATOM 525 CD LYS A 33 42.644 26.195 11.784 1.00 0.00 C ATOM 526 CE LYS A 33 42.377 26.480 10.305 1.00 0.00 C ATOM 527 NZ LYS A 33 43.653 26.391 9.542 1.00 0.00 N ATOM 0 H LYS A 33 40.532 24.031 14.330 1.00 0.00 H new ATOM 0 HA LYS A 33 43.278 25.008 14.137 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.615 26.479 14.560 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.146 27.248 14.193 1.00 0.00 H new ATOM 0 HG2 LYS A 33 40.847 25.149 12.383 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.625 26.874 12.166 1.00 0.00 H new ATOM 0 HD2 LYS A 33 43.273 26.978 12.207 1.00 0.00 H new ATOM 0 HD3 LYS A 33 43.189 25.257 11.891 1.00 0.00 H new ATOM 0 HE2 LYS A 33 41.655 25.765 9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 33 41.940 27.472 10.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.471 26.585 8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.328 27.090 9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.052 25.436 9.643 1.00 0.00 H new ATOM 541 N GLU A 34 41.578 25.085 16.968 1.00 0.00 N ATOM 542 CA GLU A 34 41.734 25.320 18.414 1.00 0.00 C ATOM 543 C GLU A 34 42.109 24.048 19.176 1.00 0.00 C ATOM 544 O GLU A 34 42.520 24.114 20.334 1.00 0.00 O ATOM 545 CB GLU A 34 40.432 25.887 18.990 1.00 0.00 C ATOM 546 CG GLU A 34 39.879 26.959 18.048 1.00 0.00 C ATOM 547 CD GLU A 34 38.720 27.694 18.714 1.00 0.00 C ATOM 548 OE1 GLU A 34 38.491 27.461 19.888 1.00 0.00 O ATOM 549 OE2 GLU A 34 38.076 28.480 18.038 1.00 0.00 O ATOM 0 H GLU A 34 40.675 24.698 16.694 1.00 0.00 H new ATOM 0 HA GLU A 34 42.549 26.033 18.537 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.701 25.089 19.118 1.00 0.00 H new ATOM 0 HB3 GLU A 34 40.614 26.314 19.976 1.00 0.00 H new ATOM 0 HG2 GLU A 34 40.666 27.666 17.787 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.542 26.499 17.119 1.00 0.00 H new ATOM 556 N GLY A 35 42.012 22.896 18.523 1.00 0.00 N ATOM 557 CA GLY A 35 42.387 21.634 19.157 1.00 0.00 C ATOM 558 C GLY A 35 41.541 21.321 20.394 1.00 0.00 C ATOM 559 O GLY A 35 41.902 20.452 21.188 1.00 0.00 O ATOM 0 H GLY A 35 41.680 22.807 17.563 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.282 20.824 18.435 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.439 21.673 19.441 1.00 0.00 H new ATOM 563 N ILE A 36 40.418 22.019 20.555 1.00 0.00 N ATOM 564 CA ILE A 36 39.537 21.786 21.696 1.00 0.00 C ATOM 565 C ILE A 36 38.423 20.790 21.321 1.00 0.00 C ATOM 566 O ILE A 36 37.572 21.109 20.487 1.00 0.00 O ATOM 567 CB ILE A 36 38.907 23.112 22.121 1.00 0.00 C ATOM 568 CG1 ILE A 36 39.996 24.185 22.219 1.00 0.00 C ATOM 569 CG2 ILE A 36 38.239 22.943 23.482 1.00 0.00 C ATOM 570 CD1 ILE A 36 41.141 23.689 23.112 1.00 0.00 C ATOM 0 H ILE A 36 40.099 22.746 19.914 1.00 0.00 H new ATOM 0 HA ILE A 36 40.121 21.368 22.516 1.00 0.00 H new ATOM 0 HB ILE A 36 38.163 23.414 21.384 1.00 0.00 H new ATOM 0 HG12 ILE A 36 40.375 24.422 21.225 1.00 0.00 H new ATOM 0 HG13 ILE A 36 39.577 25.104 22.628 1.00 0.00 H new ATOM 0 HG21 ILE A 36 37.789 23.888 23.786 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.466 22.178 23.415 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.984 22.642 24.218 1.00 0.00 H new ATOM 0 HD11 ILE A 36 41.911 24.458 23.177 1.00 0.00 H new ATOM 0 HD12 ILE A 36 40.758 23.475 24.110 1.00 0.00 H new ATOM 0 HD13 ILE A 36 41.569 22.782 22.685 1.00 0.00 H new ATOM 582 N PRO A 37 38.395 19.599 21.898 1.00 0.00 N ATOM 583 CA PRO A 37 37.343 18.592 21.570 1.00 0.00 C ATOM 584 C PRO A 37 35.938 19.217 21.527 1.00 0.00 C ATOM 585 O PRO A 37 35.473 19.773 22.525 1.00 0.00 O ATOM 586 CB PRO A 37 37.460 17.569 22.711 1.00 0.00 C ATOM 587 CG PRO A 37 38.892 17.634 23.132 1.00 0.00 C ATOM 588 CD PRO A 37 39.345 19.078 22.902 1.00 0.00 C ATOM 0 HA PRO A 37 37.483 18.153 20.582 1.00 0.00 H new ATOM 0 HB2 PRO A 37 36.793 17.818 23.536 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.191 16.568 22.375 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.002 17.355 24.180 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.499 16.939 22.552 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.309 19.659 23.824 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.372 19.120 22.539 1.00 0.00 H new ATOM 596 N PRO A 38 35.253 19.131 20.410 1.00 0.00 N ATOM 597 CA PRO A 38 33.877 19.690 20.264 1.00 0.00 C ATOM 598 C PRO A 38 32.976 19.341 21.442 1.00 0.00 C ATOM 599 O PRO A 38 32.005 20.045 21.725 1.00 0.00 O ATOM 600 CB PRO A 38 33.369 19.045 18.971 1.00 0.00 C ATOM 601 CG PRO A 38 34.599 18.848 18.157 1.00 0.00 C ATOM 602 CD PRO A 38 35.705 18.501 19.152 1.00 0.00 C ATOM 0 HA PRO A 38 33.878 20.780 20.235 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.866 18.099 19.169 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.651 19.687 18.460 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.462 18.048 17.429 1.00 0.00 H new ATOM 0 HG3 PRO A 38 34.846 19.750 17.597 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.820 17.423 19.263 1.00 0.00 H new ATOM 0 HD3 PRO A 38 36.670 18.894 18.831 1.00 0.00 H new ATOM 610 N ASP A 39 33.302 18.256 22.131 1.00 0.00 N ATOM 611 CA ASP A 39 32.504 17.825 23.268 1.00 0.00 C ATOM 612 C ASP A 39 32.586 18.828 24.411 1.00 0.00 C ATOM 613 O ASP A 39 31.749 18.814 25.315 1.00 0.00 O ATOM 614 CB ASP A 39 32.985 16.454 23.757 1.00 0.00 C ATOM 615 CG ASP A 39 32.025 15.910 24.810 1.00 0.00 C ATOM 616 OD1 ASP A 39 32.163 16.292 25.961 1.00 0.00 O ATOM 617 OD2 ASP A 39 31.169 15.118 24.453 1.00 0.00 O ATOM 0 H ASP A 39 34.106 17.664 21.924 1.00 0.00 H new ATOM 0 HA ASP A 39 31.466 17.756 22.942 1.00 0.00 H new ATOM 0 HB2 ASP A 39 33.048 15.761 22.918 1.00 0.00 H new ATOM 0 HB3 ASP A 39 33.988 16.539 24.176 1.00 0.00 H new ATOM 622 N GLN A 40 33.599 19.693 24.377 1.00 0.00 N ATOM 623 CA GLN A 40 33.787 20.695 25.427 1.00 0.00 C ATOM 624 C GLN A 40 33.353 22.075 24.948 1.00 0.00 C ATOM 625 O GLN A 40 33.378 23.036 25.717 1.00 0.00 O ATOM 626 CB GLN A 40 35.263 20.750 25.826 1.00 0.00 C ATOM 627 CG GLN A 40 35.723 19.369 26.298 1.00 0.00 C ATOM 628 CD GLN A 40 35.087 19.039 27.644 1.00 0.00 C ATOM 629 OE1 GLN A 40 34.492 17.974 27.806 1.00 0.00 O ATOM 630 NE2 GLN A 40 35.177 19.896 28.625 1.00 0.00 N ATOM 0 H GLN A 40 34.300 19.721 23.637 1.00 0.00 H new ATOM 0 HA GLN A 40 33.175 20.410 26.283 1.00 0.00 H new ATOM 0 HB2 GLN A 40 35.867 21.075 24.978 1.00 0.00 H new ATOM 0 HB3 GLN A 40 35.408 21.483 26.620 1.00 0.00 H new ATOM 0 HG2 GLN A 40 35.448 18.614 25.562 1.00 0.00 H new ATOM 0 HG3 GLN A 40 36.809 19.349 26.385 1.00 0.00 H new ATOM 0 HE21 GLN A 40 35.671 20.778 28.488 1.00 0.00 H new ATOM 0 HE22 GLN A 40 34.754 19.683 29.528 1.00 0.00 H new ATOM 639 N GLN A 41 32.984 22.177 23.669 1.00 0.00 N ATOM 640 CA GLN A 41 32.578 23.462 23.093 1.00 0.00 C ATOM 641 C GLN A 41 31.108 23.468 22.692 1.00 0.00 C ATOM 642 O GLN A 41 30.570 22.468 22.214 1.00 0.00 O ATOM 643 CB GLN A 41 33.422 23.758 21.853 1.00 0.00 C ATOM 644 CG GLN A 41 34.877 23.986 22.261 1.00 0.00 C ATOM 645 CD GLN A 41 35.726 24.230 21.019 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.613 23.497 20.035 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.571 25.223 21.001 1.00 0.00 N ATOM 0 H GLN A 41 32.958 21.393 23.017 1.00 0.00 H new ATOM 0 HA GLN A 41 32.730 24.224 23.857 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.357 22.927 21.151 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.036 24.639 21.341 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.946 24.840 22.934 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.252 23.120 22.805 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.663 25.829 21.816 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.140 25.394 20.172 1.00 0.00 H new ATOM 656 N ARG A 42 30.479 24.627 22.872 1.00 0.00 N ATOM 657 CA ARG A 42 29.077 24.830 22.509 1.00 0.00 C ATOM 658 C ARG A 42 28.981 26.104 21.674 1.00 0.00 C ATOM 659 O ARG A 42 29.604 27.112 22.007 1.00 0.00 O ATOM 660 CB ARG A 42 28.212 24.963 23.768 1.00 0.00 C ATOM 661 CG ARG A 42 28.205 23.630 24.552 1.00 0.00 C ATOM 662 CD ARG A 42 27.108 22.704 24.011 1.00 0.00 C ATOM 663 NE ARG A 42 27.114 21.433 24.731 1.00 0.00 N ATOM 664 CZ ARG A 42 26.310 20.434 24.373 1.00 0.00 C ATOM 665 NH1 ARG A 42 26.328 19.309 25.037 1.00 0.00 N ATOM 666 NH2 ARG A 42 25.505 20.575 23.356 1.00 0.00 N ATOM 0 H ARG A 42 30.926 25.452 23.273 1.00 0.00 H new ATOM 0 HA ARG A 42 28.715 23.975 21.938 1.00 0.00 H new ATOM 0 HB2 ARG A 42 28.597 25.763 24.400 1.00 0.00 H new ATOM 0 HB3 ARG A 42 27.194 25.237 23.492 1.00 0.00 H new ATOM 0 HG2 ARG A 42 29.177 23.144 24.466 1.00 0.00 H new ATOM 0 HG3 ARG A 42 28.038 23.824 25.612 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.135 23.183 24.115 1.00 0.00 H new ATOM 0 HD3 ARG A 42 27.264 22.527 22.947 1.00 0.00 H new ATOM 0 HE ARG A 42 27.746 21.309 25.522 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.958 19.195 25.831 1.00 0.00 H new ATOM 0 HH12 ARG A 42 25.712 18.544 24.762 1.00 0.00 H new ATOM 0 HH21 ARG A 42 25.491 21.451 22.834 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.890 19.809 23.083 1.00 0.00 H new ATOM 680 N LEU A 43 28.214 26.064 20.581 1.00 0.00 N ATOM 681 CA LEU A 43 28.073 27.233 19.703 1.00 0.00 C ATOM 682 C LEU A 43 26.679 27.845 19.831 1.00 0.00 C ATOM 683 O LEU A 43 25.671 27.150 19.698 1.00 0.00 O ATOM 684 CB LEU A 43 28.313 26.814 18.247 1.00 0.00 C ATOM 685 CG LEU A 43 29.563 25.931 18.152 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.773 25.505 16.696 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.791 26.712 18.635 1.00 0.00 C ATOM 0 H LEU A 43 27.685 25.244 20.283 1.00 0.00 H new ATOM 0 HA LEU A 43 28.809 27.979 20.002 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.446 26.272 17.869 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.434 27.698 17.621 1.00 0.00 H new ATOM 0 HG LEU A 43 29.429 25.049 18.779 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.661 24.877 16.625 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.904 24.944 16.352 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.904 26.390 16.073 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.676 26.079 18.565 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.928 27.596 18.013 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.644 27.017 19.671 1.00 0.00 H new ATOM 699 N ILE A 44 26.627 29.156 20.105 1.00 0.00 N ATOM 700 CA ILE A 44 25.349 29.864 20.263 1.00 0.00 C ATOM 701 C ILE A 44 25.245 31.048 19.302 1.00 0.00 C ATOM 702 O ILE A 44 26.196 31.808 19.109 1.00 0.00 O ATOM 703 CB ILE A 44 25.207 30.362 21.706 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.173 29.149 22.651 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.915 31.169 21.850 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.587 28.576 22.836 1.00 0.00 C ATOM 0 H ILE A 44 27.451 29.745 20.221 1.00 0.00 H new ATOM 0 HA ILE A 44 24.546 29.164 20.031 1.00 0.00 H new ATOM 0 HB ILE A 44 26.052 31.002 21.960 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.764 29.444 23.617 1.00 0.00 H new ATOM 0 HG13 ILE A 44 24.513 28.382 22.246 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.818 31.521 22.877 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.943 32.024 21.175 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.062 30.538 21.601 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.547 27.718 23.507 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.982 28.262 21.870 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.236 29.340 23.263 1.00 0.00 H new ATOM 718 N PHE A 45 24.061 31.195 18.711 1.00 0.00 N ATOM 719 CA PHE A 45 23.774 32.278 17.769 1.00 0.00 C ATOM 720 C PHE A 45 22.338 32.745 17.979 1.00 0.00 C ATOM 721 O PHE A 45 21.436 31.921 18.117 1.00 0.00 O ATOM 722 CB PHE A 45 23.935 31.777 16.328 1.00 0.00 C ATOM 723 CG PHE A 45 23.475 32.843 15.355 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.321 33.913 15.035 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.209 32.751 14.759 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.898 34.896 14.131 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.786 33.735 13.856 1.00 0.00 C ATOM 728 CZ PHE A 45 22.633 34.804 13.537 1.00 0.00 C ATOM 0 H PHE A 45 23.273 30.568 18.871 1.00 0.00 H new ATOM 0 HA PHE A 45 24.468 33.101 17.940 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.978 31.524 16.137 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.354 30.866 16.184 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.300 33.980 15.486 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.560 31.921 14.996 1.00 0.00 H new ATOM 0 HE1 PHE A 45 24.548 35.725 13.892 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.807 33.669 13.406 1.00 0.00 H new ATOM 0 HZ PHE A 45 22.311 35.557 12.833 1.00 0.00 H new ATOM 738 N ALA A 46 22.116 34.053 18.015 1.00 0.00 N ATOM 739 CA ALA A 46 20.764 34.557 18.225 1.00 0.00 C ATOM 740 C ALA A 46 20.172 33.895 19.466 1.00 0.00 C ATOM 741 O ALA A 46 18.991 33.546 19.508 1.00 0.00 O ATOM 742 CB ALA A 46 19.895 34.258 17.001 1.00 0.00 C ATOM 0 H ALA A 46 22.834 34.769 17.905 1.00 0.00 H new ATOM 0 HA ALA A 46 20.796 35.637 18.370 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.887 34.639 17.168 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.324 34.741 16.123 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.854 33.181 16.838 1.00 0.00 H new ATOM 748 N GLY A 47 21.024 33.748 20.477 1.00 0.00 N ATOM 749 CA GLY A 47 20.636 33.157 21.754 1.00 0.00 C ATOM 750 C GLY A 47 20.222 31.688 21.642 1.00 0.00 C ATOM 751 O GLY A 47 19.707 31.124 22.609 1.00 0.00 O ATOM 0 H GLY A 47 22.002 34.035 20.434 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.469 33.240 22.452 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.809 33.729 22.175 1.00 0.00 H new ATOM 755 N LYS A 48 20.441 31.057 20.482 1.00 0.00 N ATOM 756 CA LYS A 48 20.067 29.638 20.306 1.00 0.00 C ATOM 757 C LYS A 48 21.286 28.761 20.033 1.00 0.00 C ATOM 758 O LYS A 48 22.173 29.123 19.259 1.00 0.00 O ATOM 759 CB LYS A 48 19.089 29.478 19.143 1.00 0.00 C ATOM 760 CG LYS A 48 17.757 30.143 19.483 1.00 0.00 C ATOM 761 CD LYS A 48 16.796 29.942 18.310 1.00 0.00 C ATOM 762 CE LYS A 48 15.515 30.742 18.542 1.00 0.00 C ATOM 763 NZ LYS A 48 14.856 30.272 19.794 1.00 0.00 N ATOM 0 H LYS A 48 20.866 31.491 19.663 1.00 0.00 H new ATOM 0 HA LYS A 48 19.600 29.319 21.238 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.508 29.925 18.241 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.933 28.420 18.932 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.340 29.710 20.392 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.903 31.206 19.674 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.270 30.260 17.382 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.559 28.884 18.200 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.746 31.805 18.617 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.839 30.621 17.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.877 30.622 19.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.852 29.232 19.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.378 30.633 20.618 1.00 0.00 H new ATOM 777 N GLN A 49 21.296 27.582 20.655 1.00 0.00 N ATOM 778 CA GLN A 49 22.376 26.627 20.479 1.00 0.00 C ATOM 779 C GLN A 49 22.153 25.819 19.201 1.00 0.00 C ATOM 780 O GLN A 49 21.048 25.342 18.949 1.00 0.00 O ATOM 781 CB GLN A 49 22.428 25.682 21.683 1.00 0.00 C ATOM 782 CG GLN A 49 23.781 24.971 21.730 1.00 0.00 C ATOM 783 CD GLN A 49 23.914 24.020 20.546 1.00 0.00 C ATOM 784 OE1 GLN A 49 22.947 23.353 20.174 1.00 0.00 O ATOM 785 NE2 GLN A 49 25.058 23.920 19.925 1.00 0.00 N ATOM 0 H GLN A 49 20.560 27.269 21.288 1.00 0.00 H new ATOM 0 HA GLN A 49 23.320 27.166 20.400 1.00 0.00 H new ATOM 0 HB2 GLN A 49 22.271 26.244 22.604 1.00 0.00 H new ATOM 0 HB3 GLN A 49 21.624 24.949 21.615 1.00 0.00 H new ATOM 0 HG2 GLN A 49 24.587 25.705 21.710 1.00 0.00 H new ATOM 0 HG3 GLN A 49 23.877 24.417 22.664 1.00 0.00 H new ATOM 0 HE21 GLN A 49 25.857 24.473 20.235 1.00 0.00 H new ATOM 0 HE22 GLN A 49 25.153 23.289 19.130 1.00 0.00 H new ATOM 794 N LEU A 50 23.200 25.677 18.398 1.00 0.00 N ATOM 795 CA LEU A 50 23.087 24.933 17.145 1.00 0.00 C ATOM 796 C LEU A 50 23.018 23.427 17.403 1.00 0.00 C ATOM 797 O LEU A 50 23.875 22.860 18.080 1.00 0.00 O ATOM 798 CB LEU A 50 24.276 25.256 16.237 1.00 0.00 C ATOM 799 CG LEU A 50 24.540 26.766 16.259 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.676 27.102 15.291 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.272 27.519 15.838 1.00 0.00 C ATOM 0 H LEU A 50 24.126 26.061 18.586 1.00 0.00 H new ATOM 0 HA LEU A 50 22.163 25.235 16.651 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.161 24.716 16.573 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.070 24.927 15.219 1.00 0.00 H new ATOM 0 HG LEU A 50 24.821 27.066 17.268 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.863 28.176 15.308 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.580 26.572 15.592 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.396 26.798 14.282 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.463 28.592 15.855 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.987 27.217 14.830 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.463 27.284 16.529 1.00 0.00 H new ATOM 813 N GLU A 51 21.976 22.792 16.861 1.00 0.00 N ATOM 814 CA GLU A 51 21.773 21.354 17.035 1.00 0.00 C ATOM 815 C GLU A 51 22.554 20.549 16.002 1.00 0.00 C ATOM 816 O GLU A 51 22.610 20.895 14.817 1.00 0.00 O ATOM 817 CB GLU A 51 20.280 21.019 16.914 1.00 0.00 C ATOM 818 CG GLU A 51 19.578 21.301 18.243 1.00 0.00 C ATOM 819 CD GLU A 51 18.099 20.937 18.143 1.00 0.00 C ATOM 820 OE1 GLU A 51 17.810 19.780 17.888 1.00 0.00 O ATOM 821 OE2 GLU A 51 17.279 21.821 18.324 1.00 0.00 O ATOM 0 H GLU A 51 21.260 23.252 16.298 1.00 0.00 H new ATOM 0 HA GLU A 51 22.137 21.086 18.027 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.828 21.613 16.120 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.154 19.972 16.640 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.049 20.726 19.041 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.684 22.354 18.503 1.00 0.00 H new ATOM 828 N ASP A 52 23.137 19.454 16.465 1.00 0.00 N ATOM 829 CA ASP A 52 23.902 18.579 15.598 1.00 0.00 C ATOM 830 C ASP A 52 23.004 17.948 14.538 1.00 0.00 C ATOM 831 O ASP A 52 21.925 17.442 14.847 1.00 0.00 O ATOM 832 CB ASP A 52 24.566 17.478 16.430 1.00 0.00 C ATOM 833 CG ASP A 52 25.482 18.099 17.478 1.00 0.00 C ATOM 834 OD1 ASP A 52 24.991 18.437 18.542 1.00 0.00 O ATOM 835 OD2 ASP A 52 26.664 18.230 17.200 1.00 0.00 O ATOM 0 H ASP A 52 23.093 19.152 17.438 1.00 0.00 H new ATOM 0 HA ASP A 52 24.667 19.172 15.097 1.00 0.00 H new ATOM 0 HB2 ASP A 52 23.804 16.868 16.916 1.00 0.00 H new ATOM 0 HB3 ASP A 52 25.139 16.815 15.781 1.00 0.00 H new ATOM 840 N GLY A 53 23.461 17.968 13.288 1.00 0.00 N ATOM 841 CA GLY A 53 22.695 17.384 12.183 1.00 0.00 C ATOM 842 C GLY A 53 21.999 18.457 11.344 1.00 0.00 C ATOM 843 O GLY A 53 21.500 18.167 10.256 1.00 0.00 O ATOM 0 H GLY A 53 24.353 18.379 13.013 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.361 16.801 11.547 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.951 16.695 12.581 1.00 0.00 H new ATOM 847 N ARG A 54 21.975 19.700 11.835 1.00 0.00 N ATOM 848 CA ARG A 54 21.344 20.791 11.084 1.00 0.00 C ATOM 849 C ARG A 54 22.385 21.557 10.267 1.00 0.00 C ATOM 850 O ARG A 54 23.571 21.559 10.597 1.00 0.00 O ATOM 851 CB ARG A 54 20.640 21.756 12.041 1.00 0.00 C ATOM 852 CG ARG A 54 19.433 21.062 12.674 1.00 0.00 C ATOM 853 CD ARG A 54 18.559 22.102 13.378 1.00 0.00 C ATOM 854 NE ARG A 54 17.401 21.459 13.989 1.00 0.00 N ATOM 855 CZ ARG A 54 16.440 22.178 14.559 1.00 0.00 C ATOM 856 NH1 ARG A 54 15.432 21.583 15.134 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.504 23.482 14.537 1.00 0.00 N ATOM 0 H ARG A 54 22.377 19.973 12.732 1.00 0.00 H new ATOM 0 HA ARG A 54 20.611 20.354 10.405 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.332 22.084 12.817 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.319 22.648 11.503 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.855 20.544 11.909 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.766 20.308 13.387 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.141 22.620 14.141 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.230 22.855 12.662 1.00 0.00 H new ATOM 0 HE ARG A 54 17.328 20.442 13.979 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.381 20.564 15.147 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.695 22.136 15.571 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.290 23.946 14.083 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.768 24.036 14.974 1.00 0.00 H new ATOM 871 N THR A 55 21.931 22.218 9.201 1.00 0.00 N ATOM 872 CA THR A 55 22.821 23.005 8.341 1.00 0.00 C ATOM 873 C THR A 55 22.707 24.482 8.702 1.00 0.00 C ATOM 874 O THR A 55 21.722 24.897 9.308 1.00 0.00 O ATOM 875 CB THR A 55 22.433 22.809 6.872 1.00 0.00 C ATOM 876 OG1 THR A 55 21.028 22.972 6.731 1.00 0.00 O ATOM 877 CG2 THR A 55 22.834 21.404 6.415 1.00 0.00 C ATOM 0 H THR A 55 20.953 22.225 8.911 1.00 0.00 H new ATOM 0 HA THR A 55 23.848 22.671 8.490 1.00 0.00 H new ATOM 0 HB THR A 55 22.950 23.547 6.259 1.00 0.00 H new ATOM 0 HG1 THR A 55 20.777 22.849 5.792 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.556 21.268 5.370 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.911 21.280 6.523 1.00 0.00 H new ATOM 0 HG23 THR A 55 22.320 20.662 7.026 1.00 0.00 H new ATOM 885 N LEU A 56 23.700 25.284 8.324 1.00 0.00 N ATOM 886 CA LEU A 56 23.646 26.711 8.630 1.00 0.00 C ATOM 887 C LEU A 56 22.366 27.319 8.046 1.00 0.00 C ATOM 888 O LEU A 56 21.728 28.150 8.692 1.00 0.00 O ATOM 889 CB LEU A 56 24.900 27.443 8.089 1.00 0.00 C ATOM 890 CG LEU A 56 26.001 27.505 9.167 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.540 26.097 9.439 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.143 28.409 8.680 1.00 0.00 C ATOM 0 H LEU A 56 24.532 24.980 7.818 1.00 0.00 H new ATOM 0 HA LEU A 56 23.633 26.835 9.713 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.277 26.926 7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.632 28.452 7.777 1.00 0.00 H new ATOM 0 HG LEU A 56 25.582 27.912 10.087 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.318 26.146 10.201 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.729 25.458 9.789 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.957 25.684 8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.922 28.453 9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.560 28.004 7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.759 29.412 8.495 1.00 0.00 H new ATOM 904 N SER A 57 21.997 26.919 6.825 1.00 0.00 N ATOM 905 CA SER A 57 20.792 27.458 6.194 1.00 0.00 C ATOM 906 C SER A 57 19.624 27.413 7.165 1.00 0.00 C ATOM 907 O SER A 57 18.798 28.327 7.200 1.00 0.00 O ATOM 908 CB SER A 57 20.436 26.653 4.942 1.00 0.00 C ATOM 909 OG SER A 57 19.295 27.234 4.320 1.00 0.00 O ATOM 0 H SER A 57 22.506 26.236 6.264 1.00 0.00 H new ATOM 0 HA SER A 57 20.991 28.492 5.912 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.278 26.644 4.249 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.231 25.616 5.208 1.00 0.00 H new ATOM 0 HG SER A 57 19.064 26.722 3.517 1.00 0.00 H new ATOM 915 N ASP A 58 19.563 26.352 7.966 1.00 0.00 N ATOM 916 CA ASP A 58 18.493 26.215 8.941 1.00 0.00 C ATOM 917 C ASP A 58 18.473 27.447 9.833 1.00 0.00 C ATOM 918 O ASP A 58 17.418 28.009 10.124 1.00 0.00 O ATOM 919 CB ASP A 58 18.718 24.960 9.792 1.00 0.00 C ATOM 920 CG ASP A 58 18.768 23.721 8.901 1.00 0.00 C ATOM 921 OD1 ASP A 58 18.312 23.805 7.773 1.00 0.00 O ATOM 922 OD2 ASP A 58 19.263 22.703 9.362 1.00 0.00 O ATOM 0 H ASP A 58 20.235 25.585 7.958 1.00 0.00 H new ATOM 0 HA ASP A 58 17.538 26.121 8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.649 25.053 10.351 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.916 24.859 10.523 1.00 0.00 H new ATOM 927 N TYR A 59 19.668 27.865 10.248 1.00 0.00 N ATOM 928 CA TYR A 59 19.842 29.045 11.094 1.00 0.00 C ATOM 929 C TYR A 59 20.356 30.212 10.252 1.00 0.00 C ATOM 930 O TYR A 59 21.519 30.212 9.879 1.00 0.00 O ATOM 931 CB TYR A 59 20.874 28.731 12.179 1.00 0.00 C ATOM 932 CG TYR A 59 20.376 27.605 13.054 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.864 26.302 12.875 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.427 27.865 14.047 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.402 25.263 13.694 1.00 0.00 C ATOM 936 CE2 TYR A 59 18.965 26.828 14.863 1.00 0.00 C ATOM 937 CZ TYR A 59 19.452 25.527 14.688 1.00 0.00 C ATOM 938 OH TYR A 59 18.995 24.506 15.495 1.00 0.00 O ATOM 0 H TYR A 59 20.541 27.396 10.008 1.00 0.00 H new ATOM 0 HA TYR A 59 18.886 29.311 11.545 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.823 28.454 11.721 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.059 29.618 12.784 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.595 26.100 12.106 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.050 28.868 14.184 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.778 24.260 13.559 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.231 27.031 15.629 1.00 0.00 H new ATOM 0 HH TYR A 59 18.340 24.861 16.132 1.00 0.00 H new ATOM 948 N ASN A 60 19.467 31.151 9.898 1.00 0.00 N ATOM 949 CA ASN A 60 19.825 32.290 9.028 1.00 0.00 C ATOM 950 C ASN A 60 21.138 32.991 9.426 1.00 0.00 C ATOM 951 O ASN A 60 21.140 34.159 9.816 1.00 0.00 O ATOM 952 CB ASN A 60 18.690 33.321 9.013 1.00 0.00 C ATOM 953 CG ASN A 60 17.370 32.652 8.633 1.00 0.00 C ATOM 954 OD1 ASN A 60 17.376 31.451 8.118 1.00 0.00 O flip ATOM 955 ND2 ASN A 60 16.302 33.241 8.808 1.00 0.00 N flip ATOM 0 H ASN A 60 18.492 31.148 10.199 1.00 0.00 H new ATOM 0 HA ASN A 60 19.979 31.868 8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.600 33.787 9.994 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.921 34.115 8.303 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.296 34.178 9.210 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.423 32.791 8.551 1.00 0.00 H new ATOM 962 N ILE A 61 22.248 32.267 9.289 1.00 0.00 N ATOM 963 CA ILE A 61 23.582 32.791 9.582 1.00 0.00 C ATOM 964 C ILE A 61 24.248 33.202 8.264 1.00 0.00 C ATOM 965 O ILE A 61 24.757 32.351 7.538 1.00 0.00 O ATOM 966 CB ILE A 61 24.433 31.698 10.239 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.857 31.335 11.609 1.00 0.00 C ATOM 968 CG2 ILE A 61 25.875 32.189 10.405 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.523 30.048 12.106 1.00 0.00 C ATOM 0 H ILE A 61 22.248 31.298 8.971 1.00 0.00 H new ATOM 0 HA ILE A 61 23.499 33.645 10.254 1.00 0.00 H new ATOM 0 HB ILE A 61 24.422 30.815 9.601 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.030 32.146 12.317 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.778 31.198 11.539 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.474 31.407 10.872 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.292 32.430 9.427 1.00 0.00 H new ATOM 0 HG23 ILE A 61 25.886 33.079 11.034 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.118 29.782 13.082 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.327 29.241 11.400 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.599 30.204 12.190 1.00 0.00 H new ATOM 981 N GLN A 62 24.218 34.493 7.935 1.00 0.00 N ATOM 982 CA GLN A 62 24.802 34.953 6.669 1.00 0.00 C ATOM 983 C GLN A 62 26.291 35.241 6.794 1.00 0.00 C ATOM 984 O GLN A 62 26.878 35.134 7.871 1.00 0.00 O ATOM 985 CB GLN A 62 24.087 36.206 6.173 1.00 0.00 C ATOM 986 CG GLN A 62 22.653 35.851 5.778 1.00 0.00 C ATOM 987 CD GLN A 62 21.943 37.087 5.238 1.00 0.00 C ATOM 988 OE1 GLN A 62 22.421 37.716 4.293 1.00 0.00 O ATOM 989 NE2 GLN A 62 20.825 37.476 5.787 1.00 0.00 N ATOM 0 H GLN A 62 23.806 35.227 8.511 1.00 0.00 H new ATOM 0 HA GLN A 62 24.672 34.144 5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 62 24.083 36.968 6.952 1.00 0.00 H new ATOM 0 HB3 GLN A 62 24.618 36.626 5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.658 35.065 5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.115 35.460 6.641 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.432 36.953 6.569 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.344 38.303 5.434 1.00 0.00 H new ATOM 998 N LYS A 63 26.893 35.584 5.658 1.00 0.00 N ATOM 999 CA LYS A 63 28.323 35.865 5.608 1.00 0.00 C ATOM 1000 C LYS A 63 28.712 37.018 6.526 1.00 0.00 C ATOM 1001 O LYS A 63 27.969 37.986 6.696 1.00 0.00 O ATOM 1002 CB LYS A 63 28.769 36.157 4.166 1.00 0.00 C ATOM 1003 CG LYS A 63 28.097 37.421 3.615 1.00 0.00 C ATOM 1004 CD LYS A 63 28.589 37.647 2.179 1.00 0.00 C ATOM 1005 CE LYS A 63 27.941 38.903 1.590 1.00 0.00 C ATOM 1006 NZ LYS A 63 26.463 38.726 1.541 1.00 0.00 N ATOM 0 H LYS A 63 26.413 35.674 4.762 1.00 0.00 H new ATOM 0 HA LYS A 63 28.838 34.973 5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 63 29.852 36.277 4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 63 28.525 35.307 3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.013 37.311 3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.340 38.282 4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.674 37.751 2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.347 36.781 1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.193 39.773 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.329 39.089 0.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.052 39.418 0.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.239 37.763 1.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 26.064 38.873 2.490 1.00 0.00 H new ATOM 1020 N GLU A 64 29.904 36.893 7.099 1.00 0.00 N ATOM 1021 CA GLU A 64 30.453 37.904 7.995 1.00 0.00 C ATOM 1022 C GLU A 64 29.548 38.162 9.199 1.00 0.00 C ATOM 1023 O GLU A 64 28.969 39.240 9.334 1.00 0.00 O ATOM 1024 CB GLU A 64 30.700 39.202 7.227 1.00 0.00 C ATOM 1025 CG GLU A 64 31.739 38.935 6.134 1.00 0.00 C ATOM 1026 CD GLU A 64 32.026 40.210 5.351 1.00 0.00 C ATOM 1027 OE1 GLU A 64 31.543 41.253 5.757 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.723 40.124 4.353 1.00 0.00 O ATOM 0 H GLU A 64 30.516 36.090 6.956 1.00 0.00 H new ATOM 0 HA GLU A 64 31.399 37.523 8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 64 29.771 39.563 6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 64 31.054 39.980 7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 64 32.660 38.561 6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 64 31.375 38.160 5.459 1.00 0.00 H new ATOM 1049 N THR A 66 29.215 37.244 13.716 1.00 0.00 N ATOM 1050 CA THR A 66 30.003 36.829 14.883 1.00 0.00 C ATOM 1051 C THR A 66 29.324 35.674 15.615 1.00 0.00 C ATOM 1052 O THR A 66 28.174 35.784 16.045 1.00 0.00 O ATOM 1053 CB THR A 66 30.180 38.008 15.841 1.00 0.00 C ATOM 1054 OG1 THR A 66 30.736 39.106 15.133 1.00 0.00 O ATOM 1055 CG2 THR A 66 31.121 37.603 16.978 1.00 0.00 C ATOM 0 HA THR A 66 30.979 36.494 14.532 1.00 0.00 H new ATOM 0 HB THR A 66 29.213 38.293 16.256 1.00 0.00 H new ATOM 0 HG1 THR A 66 30.315 39.173 14.250 1.00 0.00 H new ATOM 0 HG21 THR A 66 31.248 38.442 17.662 1.00 0.00 H new ATOM 0 HG22 THR A 66 30.696 36.757 17.518 1.00 0.00 H new ATOM 0 HG23 THR A 66 32.090 37.321 16.566 1.00 0.00 H new ATOM 1063 N LEU A 67 30.052 34.567 15.757 1.00 0.00 N ATOM 1064 CA LEU A 67 29.532 33.379 16.437 1.00 0.00 C ATOM 1065 C LEU A 67 30.023 33.357 17.882 1.00 0.00 C ATOM 1066 O LEU A 67 31.156 33.751 18.156 1.00 0.00 O ATOM 1067 CB LEU A 67 30.018 32.112 15.702 1.00 0.00 C ATOM 1068 CG LEU A 67 29.068 31.767 14.541 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.693 31.323 15.090 1.00 0.00 C ATOM 1070 CD2 LEU A 67 28.904 32.997 13.637 1.00 0.00 C ATOM 0 H LEU A 67 31.006 34.467 15.410 1.00 0.00 H new ATOM 0 HA LEU A 67 28.442 33.405 16.430 1.00 0.00 H new ATOM 0 HB2 LEU A 67 31.027 32.270 15.320 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.068 31.276 16.400 1.00 0.00 H new ATOM 0 HG LEU A 67 29.490 30.946 13.962 1.00 0.00 H new ATOM 0 HD11 LEU A 67 27.030 31.082 14.259 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.820 30.443 15.720 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.258 32.131 15.678 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.232 32.756 12.813 1.00 0.00 H new ATOM 0 HD22 LEU A 67 28.488 33.821 14.216 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.876 33.288 13.239 1.00 0.00 H new ATOM 1082 N HIS A 68 29.183 32.889 18.810 1.00 0.00 N ATOM 1083 CA HIS A 68 29.578 32.826 20.216 1.00 0.00 C ATOM 1084 C HIS A 68 30.093 31.426 20.556 1.00 0.00 C ATOM 1085 O HIS A 68 29.361 30.442 20.427 1.00 0.00 O ATOM 1086 CB HIS A 68 28.382 33.165 21.109 1.00 0.00 C ATOM 1087 CG HIS A 68 27.937 34.578 20.837 1.00 0.00 C ATOM 1088 ND1 HIS A 68 28.344 35.647 21.622 1.00 0.00 N ATOM 1089 CD2 HIS A 68 27.118 35.113 19.873 1.00 0.00 C ATOM 1090 CE1 HIS A 68 27.775 36.759 21.121 1.00 0.00 C ATOM 1091 NE2 HIS A 68 27.017 36.490 20.055 1.00 0.00 N ATOM 0 H HIS A 68 28.240 32.553 18.616 1.00 0.00 H new ATOM 0 HA HIS A 68 30.374 33.550 20.390 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.563 32.471 20.917 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.655 33.054 22.158 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.627 34.551 19.092 1.00 0.00 H new ATOM 0 HE1 HIS A 68 27.914 37.748 21.531 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.479 37.151 19.494 1.00 0.00 H new ATOM 1100 N LEU A 69 31.353 31.330 21.002 1.00 0.00 N ATOM 1101 CA LEU A 69 31.946 30.058 21.362 1.00 0.00 C ATOM 1102 C LEU A 69 32.062 29.987 22.871 1.00 0.00 C ATOM 1103 O LEU A 69 32.885 30.669 23.485 1.00 0.00 O ATOM 1104 CB LEU A 69 33.329 29.933 20.714 1.00 0.00 C ATOM 1105 CG LEU A 69 33.751 28.447 20.632 1.00 0.00 C ATOM 1106 CD1 LEU A 69 35.146 28.344 20.011 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.770 27.825 22.038 1.00 0.00 C ATOM 0 H LEU A 69 31.975 32.130 21.119 1.00 0.00 H new ATOM 0 HA LEU A 69 31.322 29.238 21.007 1.00 0.00 H new ATOM 0 HB2 LEU A 69 33.311 30.369 19.715 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.062 30.495 21.293 1.00 0.00 H new ATOM 0 HG LEU A 69 33.034 27.908 20.013 1.00 0.00 H new ATOM 0 HD11 LEU A 69 35.442 27.297 19.954 1.00 0.00 H new ATOM 0 HD12 LEU A 69 35.131 28.772 19.009 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.860 28.890 20.628 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.068 26.779 21.969 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.480 28.364 22.665 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.775 27.890 22.478 1.00 0.00 H new ATOM 1119 N VAL A 70 31.227 29.154 23.452 1.00 0.00 N ATOM 1120 CA VAL A 70 31.201 28.958 24.897 1.00 0.00 C ATOM 1121 C VAL A 70 31.729 27.570 25.237 1.00 0.00 C ATOM 1122 O VAL A 70 31.484 26.608 24.511 1.00 0.00 O ATOM 1123 CB VAL A 70 29.768 29.114 25.408 1.00 0.00 C ATOM 1124 CG1 VAL A 70 29.762 29.110 26.937 1.00 0.00 C ATOM 1125 CG2 VAL A 70 29.193 30.440 24.901 1.00 0.00 C ATOM 0 H VAL A 70 30.545 28.591 22.943 1.00 0.00 H new ATOM 0 HA VAL A 70 31.834 29.704 25.376 1.00 0.00 H new ATOM 0 HB VAL A 70 29.161 28.285 25.043 1.00 0.00 H new ATOM 0 HG11 VAL A 70 28.739 29.221 27.297 1.00 0.00 H new ATOM 0 HG12 VAL A 70 30.174 28.168 27.300 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.368 29.937 27.305 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.171 30.556 25.263 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.803 31.265 25.268 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.195 30.444 23.811 1.00 0.00 H new