USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 529 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 25 ASN : amide:sc= 0.0113 K(o=0.016,f=-3.6) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -161:sc= 0.00504 (180deg=-0.384) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0578 X(o=-0.058,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= -0.04 (180deg=-0.518) USER MOD Single : A 12 THR OG1 : rot 29:sc= 0.215 USER MOD Single : A 13 THR OG1 : rot 13:sc= 0.79 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -3.73! C(o=-3.7!,f=-3.8!) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0622) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= -2.68 K(o=-2.7,f=-3.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0103 K(o=-0.01,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00707 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -4:sc= -0.126 USER MOD Single : A 60 ASN : amide:sc= -0.591 K(o=-0.59,f=-1.8!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= -0.0264 (180deg=-0.477) USER MOD Single : A 65 SER OG : rot -101:sc= 1.37 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.439 24.410 1.730 1.00 0.00 N ATOM 2 CA MET A 1 24.752 24.859 2.974 1.00 0.00 C ATOM 3 C MET A 1 25.712 25.701 3.807 1.00 0.00 C ATOM 4 O MET A 1 26.331 25.204 4.747 1.00 0.00 O ATOM 5 CB MET A 1 24.300 23.638 3.777 1.00 0.00 C ATOM 6 CG MET A 1 23.518 24.096 5.010 1.00 0.00 C ATOM 7 SD MET A 1 22.968 22.650 5.949 1.00 0.00 S ATOM 8 CE MET A 1 24.444 22.475 6.982 1.00 0.00 C ATOM 0 H1 MET A 1 24.785 23.835 1.161 1.00 0.00 H new ATOM 0 H2 MET A 1 25.739 25.240 1.180 1.00 0.00 H new ATOM 0 H3 MET A 1 26.273 23.841 1.980 1.00 0.00 H new ATOM 0 HA MET A 1 23.880 25.459 2.715 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.677 22.993 3.158 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.165 23.049 4.081 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.145 24.732 5.635 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.659 24.694 4.707 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.320 21.625 7.653 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.315 22.312 6.347 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.587 23.382 7.569 1.00 0.00 H new ATOM 18 N GLN A 2 25.828 26.978 3.457 1.00 0.00 N ATOM 19 CA GLN A 2 26.711 27.886 4.181 1.00 0.00 C ATOM 20 C GLN A 2 25.972 28.512 5.360 1.00 0.00 C ATOM 21 O GLN A 2 24.772 28.301 5.532 1.00 0.00 O ATOM 22 CB GLN A 2 27.200 28.991 3.240 1.00 0.00 C ATOM 23 CG GLN A 2 28.023 28.372 2.109 1.00 0.00 C ATOM 24 CD GLN A 2 28.602 29.471 1.226 1.00 0.00 C ATOM 25 OE1 GLN A 2 27.860 30.293 0.689 1.00 0.00 O ATOM 26 NE2 GLN A 2 29.893 29.532 1.040 1.00 0.00 N ATOM 0 H GLN A 2 25.324 27.406 2.680 1.00 0.00 H new ATOM 0 HA GLN A 2 27.565 27.321 4.556 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.350 29.536 2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 2 27.804 29.712 3.791 1.00 0.00 H new ATOM 0 HG2 GLN A 2 28.828 27.765 2.524 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.397 27.707 1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 2 30.505 28.849 1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 2 30.289 30.262 0.448 1.00 0.00 H new ATOM 35 N ILE A 3 26.690 29.296 6.162 1.00 0.00 N ATOM 36 CA ILE A 3 26.090 29.965 7.315 1.00 0.00 C ATOM 37 C ILE A 3 26.763 31.311 7.545 1.00 0.00 C ATOM 38 O ILE A 3 27.973 31.450 7.368 1.00 0.00 O ATOM 39 CB ILE A 3 26.220 29.101 8.571 1.00 0.00 C ATOM 40 CG1 ILE A 3 27.686 28.698 8.780 1.00 0.00 C ATOM 41 CG2 ILE A 3 25.354 27.849 8.416 1.00 0.00 C ATOM 42 CD1 ILE A 3 27.854 28.051 10.158 1.00 0.00 C ATOM 0 H ILE A 3 27.685 29.483 6.036 1.00 0.00 H new ATOM 0 HA ILE A 3 25.031 30.121 7.108 1.00 0.00 H new ATOM 0 HB ILE A 3 25.884 29.670 9.438 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.996 28.002 8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.329 29.574 8.699 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.444 27.231 9.309 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.313 28.141 8.281 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.687 27.281 7.547 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.896 27.767 10.302 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.562 28.761 10.931 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.224 27.164 10.223 1.00 0.00 H new ATOM 54 N PHE A 4 25.968 32.307 7.929 1.00 0.00 N ATOM 55 CA PHE A 4 26.490 33.651 8.172 1.00 0.00 C ATOM 56 C PHE A 4 26.726 33.880 9.664 1.00 0.00 C ATOM 57 O PHE A 4 25.798 33.829 10.469 1.00 0.00 O ATOM 58 CB PHE A 4 25.501 34.697 7.637 1.00 0.00 C ATOM 59 CG PHE A 4 24.945 34.289 6.277 1.00 0.00 C ATOM 60 CD1 PHE A 4 25.674 33.465 5.395 1.00 0.00 C ATOM 61 CD2 PHE A 4 23.683 34.763 5.890 1.00 0.00 C ATOM 62 CE1 PHE A 4 25.138 33.125 4.148 1.00 0.00 C ATOM 63 CE2 PHE A 4 23.152 34.417 4.642 1.00 0.00 C ATOM 64 CZ PHE A 4 23.879 33.601 3.771 1.00 0.00 C ATOM 0 H PHE A 4 24.964 32.210 8.078 1.00 0.00 H new ATOM 0 HA PHE A 4 27.443 33.750 7.652 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.682 34.821 8.345 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.999 35.663 7.554 1.00 0.00 H new ATOM 0 HD1 PHE A 4 26.647 33.096 5.682 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.119 35.397 6.558 1.00 0.00 H new ATOM 0 HE1 PHE A 4 25.699 32.493 3.475 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.178 34.782 4.351 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.468 33.338 2.807 1.00 0.00 H new ATOM 74 N VAL A 5 27.983 34.141 10.017 1.00 0.00 N ATOM 75 CA VAL A 5 28.354 34.389 11.411 1.00 0.00 C ATOM 76 C VAL A 5 28.116 35.856 11.757 1.00 0.00 C ATOM 77 O VAL A 5 28.646 36.753 11.102 1.00 0.00 O ATOM 78 CB VAL A 5 29.842 34.031 11.635 1.00 0.00 C ATOM 79 CG1 VAL A 5 29.975 32.571 12.087 1.00 0.00 C ATOM 80 CG2 VAL A 5 30.613 34.233 10.327 1.00 0.00 C ATOM 0 H VAL A 5 28.761 34.186 9.359 1.00 0.00 H new ATOM 0 HA VAL A 5 27.738 33.764 12.058 1.00 0.00 H new ATOM 0 HB VAL A 5 30.251 34.679 12.410 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.027 32.332 12.241 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.430 32.428 13.020 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.562 31.914 11.321 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.662 33.982 10.481 1.00 0.00 H new ATOM 0 HG22 VAL A 5 30.195 33.588 9.555 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.531 35.274 10.014 1.00 0.00 H new ATOM 90 N LYS A 6 27.315 36.093 12.794 1.00 0.00 N ATOM 91 CA LYS A 6 27.011 37.459 13.224 1.00 0.00 C ATOM 92 C LYS A 6 27.914 37.876 14.381 1.00 0.00 C ATOM 93 O LYS A 6 27.845 37.309 15.472 1.00 0.00 O ATOM 94 CB LYS A 6 25.548 37.553 13.660 1.00 0.00 C ATOM 95 CG LYS A 6 25.203 39.011 13.968 1.00 0.00 C ATOM 96 CD LYS A 6 23.715 39.123 14.308 1.00 0.00 C ATOM 97 CE LYS A 6 23.370 40.584 14.600 1.00 0.00 C ATOM 98 NZ LYS A 6 23.551 41.393 13.361 1.00 0.00 N1+ ATOM 0 H LYS A 6 26.867 35.364 13.349 1.00 0.00 H new ATOM 0 HA LYS A 6 27.187 38.130 12.383 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.897 37.172 12.873 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.379 36.934 14.541 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.806 39.370 14.802 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.439 39.641 13.110 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.112 38.754 13.478 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.480 38.502 15.173 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.341 40.663 14.952 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.009 40.968 15.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.042 42.295 13.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.563 41.581 13.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.174 40.869 12.546 1.00 0.00 H new ATOM 181 N THR A 12 29.748 40.744 8.870 1.00 0.00 N ATOM 182 CA THR A 12 29.298 39.360 8.745 1.00 0.00 C ATOM 183 C THR A 12 30.253 38.572 7.854 1.00 0.00 C ATOM 184 O THR A 12 31.065 39.155 7.135 1.00 0.00 O ATOM 185 CB THR A 12 27.887 39.327 8.151 1.00 0.00 C ATOM 186 OG1 THR A 12 27.035 40.166 8.917 1.00 0.00 O ATOM 187 CG2 THR A 12 27.345 37.897 8.171 1.00 0.00 C ATOM 0 HA THR A 12 29.284 38.903 9.734 1.00 0.00 H new ATOM 0 HB THR A 12 27.923 39.681 7.121 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.562 40.888 9.319 1.00 0.00 H new ATOM 0 HG21 THR A 12 26.341 37.882 7.747 1.00 0.00 H new ATOM 0 HG22 THR A 12 27.997 37.252 7.582 1.00 0.00 H new ATOM 0 HG23 THR A 12 27.310 37.536 9.199 1.00 0.00 H new ATOM 195 N THR A 13 30.158 37.243 7.908 1.00 0.00 N ATOM 196 CA THR A 13 31.030 36.390 7.102 1.00 0.00 C ATOM 197 C THR A 13 30.381 35.029 6.846 1.00 0.00 C ATOM 198 O THR A 13 29.689 34.486 7.705 1.00 0.00 O ATOM 199 CB THR A 13 32.381 36.217 7.820 1.00 0.00 C ATOM 200 OG1 THR A 13 33.140 37.410 7.681 1.00 0.00 O ATOM 201 CG2 THR A 13 33.167 35.049 7.216 1.00 0.00 C ATOM 0 H THR A 13 29.493 36.739 8.495 1.00 0.00 H new ATOM 0 HA THR A 13 31.193 36.866 6.135 1.00 0.00 H new ATOM 0 HB THR A 13 32.194 36.009 8.873 1.00 0.00 H new ATOM 0 HG1 THR A 13 32.561 38.129 7.352 1.00 0.00 H new ATOM 0 HG21 THR A 13 34.119 34.943 7.737 1.00 0.00 H new ATOM 0 HG22 THR A 13 32.591 34.130 7.322 1.00 0.00 H new ATOM 0 HG23 THR A 13 33.351 35.242 6.159 1.00 0.00 H new ATOM 209 N THR A 14 30.621 34.481 5.654 1.00 0.00 N ATOM 210 CA THR A 14 30.074 33.178 5.283 1.00 0.00 C ATOM 211 C THR A 14 31.102 32.086 5.564 1.00 0.00 C ATOM 212 O THR A 14 32.307 32.332 5.521 1.00 0.00 O ATOM 213 CB THR A 14 29.709 33.172 3.796 1.00 0.00 C ATOM 214 OG1 THR A 14 30.887 33.340 3.021 1.00 0.00 O ATOM 215 CG2 THR A 14 28.733 34.314 3.501 1.00 0.00 C ATOM 0 H THR A 14 31.190 34.920 4.930 1.00 0.00 H new ATOM 0 HA THR A 14 29.178 32.987 5.873 1.00 0.00 H new ATOM 0 HB THR A 14 29.238 32.222 3.541 1.00 0.00 H new ATOM 0 HG1 THR A 14 30.656 33.335 2.069 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.475 34.308 2.442 1.00 0.00 H new ATOM 0 HG22 THR A 14 27.829 34.183 4.096 1.00 0.00 H new ATOM 0 HG23 THR A 14 29.199 35.266 3.755 1.00 0.00 H new ATOM 223 N LEU A 15 30.622 30.880 5.864 1.00 0.00 N ATOM 224 CA LEU A 15 31.511 29.754 6.165 1.00 0.00 C ATOM 225 C LEU A 15 31.024 28.481 5.479 1.00 0.00 C ATOM 226 O LEU A 15 29.851 28.122 5.581 1.00 0.00 O ATOM 227 CB LEU A 15 31.543 29.522 7.682 1.00 0.00 C ATOM 228 CG LEU A 15 32.382 30.615 8.376 1.00 0.00 C ATOM 229 CD1 LEU A 15 31.894 30.816 9.812 1.00 0.00 C ATOM 230 CD2 LEU A 15 33.855 30.195 8.419 1.00 0.00 C ATOM 0 H LEU A 15 29.628 30.656 5.906 1.00 0.00 H new ATOM 0 HA LEU A 15 32.509 29.994 5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.528 29.527 8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.964 28.540 7.897 1.00 0.00 H new ATOM 0 HG LEU A 15 32.275 31.542 7.813 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.492 31.589 10.295 1.00 0.00 H new ATOM 0 HD12 LEU A 15 30.847 31.120 9.801 1.00 0.00 H new ATOM 0 HD13 LEU A 15 31.995 29.882 10.365 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.441 30.972 8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.951 29.262 8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.222 30.052 7.403 1.00 0.00 H new ATOM 242 N GLU A 16 31.934 27.789 4.802 1.00 0.00 N ATOM 243 CA GLU A 16 31.578 26.545 4.134 1.00 0.00 C ATOM 244 C GLU A 16 31.413 25.443 5.173 1.00 0.00 C ATOM 245 O GLU A 16 32.367 25.087 5.866 1.00 0.00 O ATOM 246 CB GLU A 16 32.665 26.148 3.134 1.00 0.00 C ATOM 247 CG GLU A 16 32.636 27.100 1.937 1.00 0.00 C ATOM 248 CD GLU A 16 33.670 26.669 0.903 1.00 0.00 C ATOM 249 OE1 GLU A 16 34.366 25.700 1.158 1.00 0.00 O ATOM 250 OE2 GLU A 16 33.750 27.314 -0.130 1.00 0.00 O1- ATOM 0 H GLU A 16 32.911 28.064 4.702 1.00 0.00 H new ATOM 0 HA GLU A 16 30.641 26.687 3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.643 26.181 3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 16 32.508 25.123 2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.642 27.105 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.842 28.118 2.267 1.00 0.00 H new ATOM 257 N VAL A 17 30.201 24.908 5.286 1.00 0.00 N ATOM 258 CA VAL A 17 29.926 23.850 6.259 1.00 0.00 C ATOM 259 C VAL A 17 28.970 22.814 5.685 1.00 0.00 C ATOM 260 O VAL A 17 28.205 23.097 4.762 1.00 0.00 O ATOM 261 CB VAL A 17 29.314 24.458 7.524 1.00 0.00 C ATOM 262 CG1 VAL A 17 30.236 25.553 8.062 1.00 0.00 C ATOM 263 CG2 VAL A 17 27.948 25.060 7.189 1.00 0.00 C ATOM 0 H VAL A 17 29.398 25.185 4.722 1.00 0.00 H new ATOM 0 HA VAL A 17 30.868 23.357 6.501 1.00 0.00 H new ATOM 0 HB VAL A 17 29.194 23.682 8.280 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.800 25.986 8.962 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.210 25.124 8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 17 30.356 26.330 7.308 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.511 25.493 8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 17 28.068 25.837 6.434 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.291 24.280 6.806 1.00 0.00 H new ATOM 273 N GLU A 18 29.017 21.610 6.251 1.00 0.00 N ATOM 274 CA GLU A 18 28.152 20.512 5.818 1.00 0.00 C ATOM 275 C GLU A 18 27.471 19.896 7.043 1.00 0.00 C ATOM 276 O GLU A 18 28.017 19.953 8.144 1.00 0.00 O ATOM 277 CB GLU A 18 28.993 19.450 5.091 1.00 0.00 C ATOM 278 CG GLU A 18 29.245 19.891 3.645 1.00 0.00 C ATOM 279 CD GLU A 18 30.141 18.879 2.939 1.00 0.00 C ATOM 280 OE1 GLU A 18 31.158 18.520 3.508 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 29.796 18.476 1.840 1.00 0.00 O ATOM 0 H GLU A 18 29.648 21.368 7.015 1.00 0.00 H new ATOM 0 HA GLU A 18 27.391 20.888 5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.942 19.307 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 18 28.475 18.491 5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 18 28.298 19.983 3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.714 20.875 3.633 1.00 0.00 H new ATOM 288 N PRO A 19 26.302 19.327 6.894 1.00 0.00 N ATOM 289 CA PRO A 19 25.567 18.721 8.044 1.00 0.00 C ATOM 290 C PRO A 19 26.398 17.654 8.760 1.00 0.00 C ATOM 291 O PRO A 19 26.090 17.271 9.888 1.00 0.00 O ATOM 292 CB PRO A 19 24.290 18.126 7.405 1.00 0.00 C ATOM 293 CG PRO A 19 24.578 18.049 5.937 1.00 0.00 C ATOM 294 CD PRO A 19 25.550 19.187 5.637 1.00 0.00 C ATOM 0 HA PRO A 19 25.340 19.453 8.819 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.069 17.140 7.814 1.00 0.00 H new ATOM 0 HB3 PRO A 19 23.422 18.755 7.603 1.00 0.00 H new ATOM 0 HG2 PRO A 19 25.014 17.085 5.675 1.00 0.00 H new ATOM 0 HG3 PRO A 19 23.663 18.154 5.354 1.00 0.00 H new ATOM 0 HD2 PRO A 19 26.206 18.946 4.800 1.00 0.00 H new ATOM 0 HD3 PRO A 19 25.026 20.106 5.377 1.00 0.00 H new ATOM 302 N SER A 20 27.454 17.181 8.100 1.00 0.00 N ATOM 303 CA SER A 20 28.325 16.160 8.687 1.00 0.00 C ATOM 304 C SER A 20 29.517 16.802 9.392 1.00 0.00 C ATOM 305 O SER A 20 30.264 16.127 10.104 1.00 0.00 O ATOM 306 CB SER A 20 28.832 15.219 7.594 1.00 0.00 C ATOM 307 OG SER A 20 29.696 15.935 6.721 1.00 0.00 O ATOM 0 H SER A 20 27.727 17.485 7.165 1.00 0.00 H new ATOM 0 HA SER A 20 27.745 15.598 9.419 1.00 0.00 H new ATOM 0 HB2 SER A 20 29.363 14.378 8.040 1.00 0.00 H new ATOM 0 HB3 SER A 20 27.992 14.806 7.035 1.00 0.00 H new ATOM 0 HG SER A 20 30.024 15.334 6.020 1.00 0.00 H new ATOM 313 N ASP A 21 29.694 18.103 9.191 1.00 0.00 N ATOM 314 CA ASP A 21 30.806 18.818 9.814 1.00 0.00 C ATOM 315 C ASP A 21 30.531 19.054 11.294 1.00 0.00 C ATOM 316 O ASP A 21 29.514 19.642 11.660 1.00 0.00 O ATOM 317 CB ASP A 21 31.022 20.167 9.118 1.00 0.00 C ATOM 318 CG ASP A 21 31.650 19.953 7.745 1.00 0.00 C ATOM 319 OD1 ASP A 21 32.012 18.827 7.450 1.00 0.00 O1- ATOM 320 OD2 ASP A 21 31.759 20.921 7.009 1.00 0.00 O ATOM 0 H ASP A 21 29.089 18.681 8.608 1.00 0.00 H new ATOM 0 HA ASP A 21 31.703 18.207 9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 21 30.070 20.688 9.014 1.00 0.00 H new ATOM 0 HB3 ASP A 21 31.667 20.800 9.727 1.00 0.00 H new ATOM 325 N THR A 22 31.451 18.602 12.142 1.00 0.00 N ATOM 326 CA THR A 22 31.298 18.783 13.581 1.00 0.00 C ATOM 327 C THR A 22 31.669 20.210 13.971 1.00 0.00 C ATOM 328 O THR A 22 32.310 20.925 13.201 1.00 0.00 O ATOM 329 CB THR A 22 32.197 17.794 14.327 1.00 0.00 C ATOM 330 OG1 THR A 22 33.557 18.087 14.043 1.00 0.00 O ATOM 331 CG2 THR A 22 31.877 16.367 13.878 1.00 0.00 C ATOM 0 H THR A 22 32.301 18.113 11.861 1.00 0.00 H new ATOM 0 HA THR A 22 30.258 18.599 13.852 1.00 0.00 H new ATOM 0 HB THR A 22 32.021 17.882 15.399 1.00 0.00 H new ATOM 0 HG1 THR A 22 34.134 17.456 14.521 1.00 0.00 H new ATOM 0 HG21 THR A 22 32.519 15.665 14.411 1.00 0.00 H new ATOM 0 HG22 THR A 22 30.833 16.142 14.097 1.00 0.00 H new ATOM 0 HG23 THR A 22 32.051 16.275 12.806 1.00 0.00 H new ATOM 339 N ILE A 23 31.264 20.621 15.168 1.00 0.00 N ATOM 340 CA ILE A 23 31.564 21.970 15.639 1.00 0.00 C ATOM 341 C ILE A 23 33.071 22.184 15.722 1.00 0.00 C ATOM 342 O ILE A 23 33.559 23.299 15.537 1.00 0.00 O ATOM 343 CB ILE A 23 30.933 22.194 17.015 1.00 0.00 C ATOM 344 CG1 ILE A 23 29.479 21.715 16.993 1.00 0.00 C ATOM 345 CG2 ILE A 23 30.980 23.680 17.371 1.00 0.00 C ATOM 346 CD1 ILE A 23 28.722 22.352 15.823 1.00 0.00 C ATOM 0 H ILE A 23 30.733 20.048 15.824 1.00 0.00 H new ATOM 0 HA ILE A 23 31.148 22.686 14.930 1.00 0.00 H new ATOM 0 HB ILE A 23 31.490 21.630 17.763 1.00 0.00 H new ATOM 0 HG12 ILE A 23 29.449 20.629 16.905 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.991 21.972 17.933 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.529 23.834 18.352 1.00 0.00 H new ATOM 0 HG22 ILE A 23 32.016 24.017 17.391 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.428 24.251 16.624 1.00 0.00 H new ATOM 0 HD11 ILE A 23 27.690 22.000 15.823 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.736 23.437 15.928 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.201 22.073 14.885 1.00 0.00 H new ATOM 358 N GLU A 24 33.807 21.111 15.992 1.00 0.00 N ATOM 359 CA GLU A 24 35.258 21.204 16.085 1.00 0.00 C ATOM 360 C GLU A 24 35.828 21.768 14.789 1.00 0.00 C ATOM 361 O GLU A 24 36.674 22.661 14.808 1.00 0.00 O ATOM 362 CB GLU A 24 35.862 19.825 16.349 1.00 0.00 C ATOM 363 CG GLU A 24 37.357 19.974 16.636 1.00 0.00 C ATOM 364 CD GLU A 24 37.964 18.616 16.970 1.00 0.00 C ATOM 365 OE1 GLU A 24 37.343 17.616 16.650 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 39.044 18.595 17.539 1.00 0.00 O ATOM 0 H GLU A 24 33.427 20.177 16.149 1.00 0.00 H new ATOM 0 HA GLU A 24 35.511 21.868 16.911 1.00 0.00 H new ATOM 0 HB2 GLU A 24 35.363 19.353 17.195 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.709 19.177 15.486 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.861 20.403 15.770 1.00 0.00 H new ATOM 0 HG3 GLU A 24 37.509 20.663 17.467 1.00 0.00 H new ATOM 373 N ASN A 25 35.350 21.246 13.664 1.00 0.00 N ATOM 374 CA ASN A 25 35.812 21.712 12.364 1.00 0.00 C ATOM 375 C ASN A 25 35.402 23.166 12.155 1.00 0.00 C ATOM 376 O ASN A 25 36.183 23.980 11.660 1.00 0.00 O ATOM 377 CB ASN A 25 35.211 20.842 11.258 1.00 0.00 C ATOM 378 CG ASN A 25 35.721 21.301 9.895 1.00 0.00 C ATOM 379 OD1 ASN A 25 36.886 21.674 9.761 1.00 0.00 O ATOM 380 ND2 ASN A 25 34.913 21.296 8.871 1.00 0.00 N ATOM 0 H ASN A 25 34.649 20.506 13.627 1.00 0.00 H new ATOM 0 HA ASN A 25 36.899 21.640 12.328 1.00 0.00 H new ATOM 0 HB2 ASN A 25 35.476 19.798 11.421 1.00 0.00 H new ATOM 0 HB3 ASN A 25 34.123 20.903 11.287 1.00 0.00 H new ATOM 0 HD21 ASN A 25 35.246 21.602 7.957 1.00 0.00 H new ATOM 0 HD22 ASN A 25 33.948 20.986 8.984 1.00 0.00 H new ATOM 387 N VAL A 26 34.167 23.483 12.534 1.00 0.00 N ATOM 388 CA VAL A 26 33.652 24.840 12.383 1.00 0.00 C ATOM 389 C VAL A 26 34.541 25.830 13.130 1.00 0.00 C ATOM 390 O VAL A 26 34.899 26.881 12.599 1.00 0.00 O ATOM 391 CB VAL A 26 32.227 24.922 12.932 1.00 0.00 C ATOM 392 CG1 VAL A 26 31.677 26.333 12.711 1.00 0.00 C ATOM 393 CG2 VAL A 26 31.335 23.907 12.211 1.00 0.00 C ATOM 0 H VAL A 26 33.508 22.823 12.946 1.00 0.00 H new ATOM 0 HA VAL A 26 33.648 25.093 11.323 1.00 0.00 H new ATOM 0 HB VAL A 26 32.238 24.697 13.998 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.661 26.393 13.102 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.308 27.055 13.229 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.669 26.558 11.644 1.00 0.00 H new ATOM 0 HG21 VAL A 26 30.321 23.969 12.605 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.323 24.127 11.143 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.725 22.902 12.370 1.00 0.00 H new ATOM 403 N LYS A 27 34.897 25.485 14.364 1.00 0.00 N ATOM 404 CA LYS A 27 35.748 26.351 15.172 1.00 0.00 C ATOM 405 C LYS A 27 37.110 26.522 14.509 1.00 0.00 C ATOM 406 O LYS A 27 37.713 27.593 14.576 1.00 0.00 O ATOM 407 CB LYS A 27 35.926 25.757 16.574 1.00 0.00 C ATOM 408 CG LYS A 27 34.631 25.927 17.373 1.00 0.00 C ATOM 409 CD LYS A 27 34.793 25.274 18.748 1.00 0.00 C ATOM 410 CE LYS A 27 33.583 25.612 19.622 1.00 0.00 C ATOM 411 NZ LYS A 27 33.778 25.033 20.983 1.00 0.00 N1+ ATOM 0 H LYS A 27 34.612 24.620 14.823 1.00 0.00 H new ATOM 0 HA LYS A 27 35.270 27.327 15.256 1.00 0.00 H new ATOM 0 HB2 LYS A 27 36.185 24.701 16.502 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.750 26.252 17.088 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.397 26.985 17.486 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.798 25.472 16.838 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.886 24.193 18.640 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.708 25.627 19.224 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.459 26.693 19.689 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.673 25.214 19.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.957 25.262 21.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 33.876 24.000 20.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.638 25.433 21.411 1.00 0.00 H new ATOM 425 N ALA A 28 37.589 25.460 13.864 1.00 0.00 N ATOM 426 CA ALA A 28 38.880 25.510 13.190 1.00 0.00 C ATOM 427 C ALA A 28 38.844 26.529 12.054 1.00 0.00 C ATOM 428 O ALA A 28 39.811 27.257 11.829 1.00 0.00 O ATOM 429 CB ALA A 28 39.237 24.128 12.635 1.00 0.00 C ATOM 0 H ALA A 28 37.107 24.564 13.795 1.00 0.00 H new ATOM 0 HA ALA A 28 39.639 25.812 13.912 1.00 0.00 H new ATOM 0 HB1 ALA A 28 40.203 24.176 12.133 1.00 0.00 H new ATOM 0 HB2 ALA A 28 39.288 23.409 13.453 1.00 0.00 H new ATOM 0 HB3 ALA A 28 38.474 23.814 11.923 1.00 0.00 H new ATOM 435 N LYS A 29 37.718 26.579 11.350 1.00 0.00 N ATOM 436 CA LYS A 29 37.558 27.520 10.247 1.00 0.00 C ATOM 437 C LYS A 29 37.519 28.947 10.778 1.00 0.00 C ATOM 438 O LYS A 29 38.141 29.850 10.221 1.00 0.00 O ATOM 439 CB LYS A 29 36.258 27.223 9.491 1.00 0.00 C ATOM 440 CG LYS A 29 36.367 25.878 8.754 1.00 0.00 C ATOM 441 CD LYS A 29 37.105 26.054 7.418 1.00 0.00 C ATOM 442 CE LYS A 29 36.991 24.766 6.604 1.00 0.00 C ATOM 443 NZ LYS A 29 37.584 23.637 7.376 1.00 0.00 N1+ ATOM 0 H LYS A 29 36.908 25.984 11.522 1.00 0.00 H new ATOM 0 HA LYS A 29 38.405 27.411 9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.421 27.197 10.189 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.053 28.021 8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.897 25.157 9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.371 25.473 8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.679 26.888 6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 29 38.153 26.293 7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 29 35.945 24.557 6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.506 24.879 5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.803 22.852 6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.457 23.956 7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.906 23.314 8.095 1.00 0.00 H new ATOM 457 N ILE A 30 36.776 29.133 11.858 1.00 0.00 N ATOM 458 CA ILE A 30 36.640 30.445 12.478 1.00 0.00 C ATOM 459 C ILE A 30 37.999 30.967 12.948 1.00 0.00 C ATOM 460 O ILE A 30 38.311 32.145 12.786 1.00 0.00 O ATOM 461 CB ILE A 30 35.683 30.332 13.668 1.00 0.00 C ATOM 462 CG1 ILE A 30 34.260 30.086 13.159 1.00 0.00 C ATOM 463 CG2 ILE A 30 35.709 31.616 14.500 1.00 0.00 C ATOM 464 CD1 ILE A 30 33.362 29.656 14.323 1.00 0.00 C ATOM 0 H ILE A 30 36.256 28.391 12.326 1.00 0.00 H new ATOM 0 HA ILE A 30 36.244 31.148 11.746 1.00 0.00 H new ATOM 0 HB ILE A 30 36.001 29.499 14.295 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.866 30.992 12.699 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.267 29.315 12.389 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.023 31.518 15.341 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.719 31.788 14.873 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.404 32.458 13.879 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.350 29.482 13.957 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.752 28.738 14.763 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.344 30.442 15.078 1.00 0.00 H new ATOM 476 N GLN A 31 38.794 30.085 13.544 1.00 0.00 N ATOM 477 CA GLN A 31 40.109 30.468 14.051 1.00 0.00 C ATOM 478 C GLN A 31 40.966 31.099 12.953 1.00 0.00 C ATOM 479 O GLN A 31 42.060 31.596 13.219 1.00 0.00 O ATOM 480 CB GLN A 31 40.819 29.232 14.623 1.00 0.00 C ATOM 481 CG GLN A 31 42.227 29.606 15.137 1.00 0.00 C ATOM 482 CD GLN A 31 43.269 29.433 14.031 1.00 0.00 C ATOM 483 OE1 GLN A 31 44.126 30.295 13.844 1.00 0.00 O ATOM 484 NE2 GLN A 31 43.242 28.363 13.283 1.00 0.00 N ATOM 0 H GLN A 31 38.554 29.104 13.688 1.00 0.00 H new ATOM 0 HA GLN A 31 39.970 31.210 14.837 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.229 28.810 15.436 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.898 28.463 13.855 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.229 30.638 15.488 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.487 28.979 15.990 1.00 0.00 H new ATOM 0 HE21 GLN A 31 42.530 27.649 13.440 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.932 28.241 12.542 1.00 0.00 H new ATOM 493 N ASP A 32 40.464 31.088 11.717 1.00 0.00 N ATOM 494 CA ASP A 32 41.199 31.670 10.587 1.00 0.00 C ATOM 495 C ASP A 32 40.612 33.023 10.190 1.00 0.00 C ATOM 496 O ASP A 32 41.162 33.720 9.338 1.00 0.00 O ATOM 497 CB ASP A 32 41.143 30.725 9.386 1.00 0.00 C ATOM 498 CG ASP A 32 41.862 29.422 9.715 1.00 0.00 C ATOM 499 OD1 ASP A 32 43.069 29.463 9.888 1.00 0.00 O ATOM 500 OD2 ASP A 32 41.196 28.403 9.790 1.00 0.00 O1- ATOM 0 H ASP A 32 39.559 30.687 11.472 1.00 0.00 H new ATOM 0 HA ASP A 32 42.234 31.814 10.897 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.106 30.521 9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.606 31.197 8.519 1.00 0.00 H new ATOM 505 N LYS A 33 39.484 33.385 10.802 1.00 0.00 N ATOM 506 CA LYS A 33 38.815 34.654 10.496 1.00 0.00 C ATOM 507 C LYS A 33 38.937 35.636 11.659 1.00 0.00 C ATOM 508 O LYS A 33 39.018 36.847 11.451 1.00 0.00 O ATOM 509 CB LYS A 33 37.333 34.396 10.202 1.00 0.00 C ATOM 510 CG LYS A 33 37.188 33.241 9.202 1.00 0.00 C ATOM 511 CD LYS A 33 37.791 33.639 7.850 1.00 0.00 C ATOM 512 CE LYS A 33 37.320 32.663 6.768 1.00 0.00 C ATOM 513 NZ LYS A 33 37.890 31.312 7.037 1.00 0.00 N1+ ATOM 0 H LYS A 33 39.014 32.821 11.510 1.00 0.00 H new ATOM 0 HA LYS A 33 39.298 35.092 9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.807 34.156 11.126 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.872 35.297 9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 33 37.689 32.352 9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 33 36.136 32.986 9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.492 34.655 7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 33 38.879 33.633 7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 33 36.231 32.614 6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.635 33.013 5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.714 30.692 6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.915 31.393 7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 37.439 30.907 7.882 1.00 0.00 H new ATOM 527 N THR A 34 38.943 35.109 12.886 1.00 0.00 N ATOM 528 CA THR A 34 39.051 35.951 14.084 1.00 0.00 C ATOM 529 C THR A 34 40.389 35.727 14.782 1.00 0.00 C ATOM 530 O THR A 34 40.960 36.649 15.364 1.00 0.00 O ATOM 531 CB THR A 34 37.913 35.623 15.051 1.00 0.00 C ATOM 532 OG1 THR A 34 38.177 34.380 15.688 1.00 0.00 O ATOM 533 CG2 THR A 34 36.594 35.536 14.281 1.00 0.00 C ATOM 0 H THR A 34 38.875 34.109 13.077 1.00 0.00 H new ATOM 0 HA THR A 34 38.985 36.995 13.778 1.00 0.00 H new ATOM 0 HB THR A 34 37.839 36.408 15.804 1.00 0.00 H new ATOM 0 HG1 THR A 34 37.449 34.170 16.309 1.00 0.00 H new ATOM 0 HG21 THR A 34 35.784 35.302 14.972 1.00 0.00 H new ATOM 0 HG22 THR A 34 36.392 36.491 13.796 1.00 0.00 H new ATOM 0 HG23 THR A 34 36.664 34.753 13.526 1.00 0.00 H new ATOM 541 N GLY A 35 40.889 34.497 14.711 1.00 0.00 N ATOM 542 CA GLY A 35 42.167 34.165 15.331 1.00 0.00 C ATOM 543 C GLY A 35 42.056 34.123 16.853 1.00 0.00 C ATOM 544 O GLY A 35 43.056 34.267 17.557 1.00 0.00 O ATOM 0 H GLY A 35 40.433 33.719 14.234 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.511 33.198 14.963 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.916 34.901 15.040 1.00 0.00 H new ATOM 548 N LEU A 36 40.840 33.927 17.359 1.00 0.00 N ATOM 549 CA LEU A 36 40.625 33.870 18.806 1.00 0.00 C ATOM 550 C LEU A 36 40.889 32.450 19.325 1.00 0.00 C ATOM 551 O LEU A 36 40.623 31.475 18.622 1.00 0.00 O ATOM 552 CB LEU A 36 39.175 34.261 19.137 1.00 0.00 C ATOM 553 CG LEU A 36 39.005 35.793 19.098 1.00 0.00 C ATOM 554 CD1 LEU A 36 37.532 36.141 18.851 1.00 0.00 C ATOM 555 CD2 LEU A 36 39.440 36.413 20.436 1.00 0.00 C ATOM 0 H LEU A 36 39.997 33.806 16.798 1.00 0.00 H new ATOM 0 HA LEU A 36 41.313 34.567 19.285 1.00 0.00 H new ATOM 0 HB2 LEU A 36 38.495 33.796 18.423 1.00 0.00 H new ATOM 0 HB3 LEU A 36 38.907 33.885 20.124 1.00 0.00 H new ATOM 0 HG LEU A 36 39.625 36.190 18.295 1.00 0.00 H new ATOM 0 HD11 LEU A 36 37.414 37.224 18.824 1.00 0.00 H new ATOM 0 HD12 LEU A 36 37.213 35.717 17.899 1.00 0.00 H new ATOM 0 HD13 LEU A 36 36.921 35.729 19.655 1.00 0.00 H new ATOM 0 HD21 LEU A 36 39.314 37.495 20.394 1.00 0.00 H new ATOM 0 HD22 LEU A 36 38.827 36.008 21.241 1.00 0.00 H new ATOM 0 HD23 LEU A 36 40.487 36.176 20.623 1.00 0.00 H new ATOM 567 N PRO A 37 41.377 32.307 20.537 1.00 0.00 N ATOM 568 CA PRO A 37 41.640 30.962 21.133 1.00 0.00 C ATOM 569 C PRO A 37 40.330 30.263 21.509 1.00 0.00 C ATOM 570 O PRO A 37 39.292 30.912 21.637 1.00 0.00 O ATOM 571 CB PRO A 37 42.484 31.281 22.375 1.00 0.00 C ATOM 572 CG PRO A 37 42.063 32.657 22.775 1.00 0.00 C ATOM 573 CD PRO A 37 41.737 33.393 21.472 1.00 0.00 C ATOM 0 HA PRO A 37 42.144 30.281 20.447 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.300 30.563 23.174 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.550 31.242 22.150 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.194 32.624 23.432 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.857 33.165 23.322 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.915 34.096 21.604 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.591 33.966 21.111 1.00 0.00 H new ATOM 581 N PRO A 38 40.356 28.968 21.682 1.00 0.00 N ATOM 582 CA PRO A 38 39.137 28.183 22.046 1.00 0.00 C ATOM 583 C PRO A 38 38.498 28.670 23.352 1.00 0.00 C ATOM 584 O PRO A 38 37.279 28.616 23.514 1.00 0.00 O ATOM 585 CB PRO A 38 39.650 26.731 22.164 1.00 0.00 C ATOM 586 CG PRO A 38 41.137 26.846 22.314 1.00 0.00 C ATOM 587 CD PRO A 38 41.539 28.106 21.553 1.00 0.00 C ATOM 0 HA PRO A 38 38.345 28.289 21.304 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.206 26.226 23.022 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.388 26.149 21.281 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.419 26.918 23.364 1.00 0.00 H new ATOM 0 HG3 PRO A 38 41.639 25.968 21.908 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.425 28.571 21.984 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.768 27.890 20.509 1.00 0.00 H new ATOM 595 N ASP A 39 39.328 29.138 24.280 1.00 0.00 N ATOM 596 CA ASP A 39 38.830 29.620 25.566 1.00 0.00 C ATOM 597 C ASP A 39 38.063 30.932 25.403 1.00 0.00 C ATOM 598 O ASP A 39 37.513 31.464 26.367 1.00 0.00 O ATOM 599 CB ASP A 39 39.997 29.825 26.535 1.00 0.00 C ATOM 600 CG ASP A 39 40.552 28.475 26.980 1.00 0.00 C ATOM 601 OD1 ASP A 39 39.827 27.497 26.888 1.00 0.00 O1- ATOM 602 OD2 ASP A 39 41.693 28.438 27.408 1.00 0.00 O ATOM 0 H ASP A 39 40.340 29.194 24.168 1.00 0.00 H new ATOM 0 HA ASP A 39 38.149 28.870 25.967 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.782 30.409 26.053 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.664 30.394 27.403 1.00 0.00 H new ATOM 607 N GLN A 40 38.020 31.444 24.174 1.00 0.00 N ATOM 608 CA GLN A 40 37.308 32.690 23.877 1.00 0.00 C ATOM 609 C GLN A 40 36.393 32.489 22.676 1.00 0.00 C ATOM 610 O GLN A 40 35.797 33.438 22.167 1.00 0.00 O ATOM 611 CB GLN A 40 38.311 33.802 23.564 1.00 0.00 C ATOM 612 CG GLN A 40 39.031 34.223 24.845 1.00 0.00 C ATOM 613 CD GLN A 40 40.183 35.166 24.510 1.00 0.00 C ATOM 614 OE1 GLN A 40 40.065 35.996 23.609 1.00 0.00 O ATOM 615 NE2 GLN A 40 41.295 35.087 25.189 1.00 0.00 N ATOM 0 H GLN A 40 38.470 31.016 23.365 1.00 0.00 H new ATOM 0 HA GLN A 40 36.713 32.971 24.746 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.034 33.455 22.826 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.796 34.657 23.127 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.331 34.716 25.520 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.410 33.343 25.365 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.389 34.398 25.935 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.070 35.714 24.974 1.00 0.00 H new ATOM 624 N GLN A 41 36.308 31.243 22.218 1.00 0.00 N ATOM 625 CA GLN A 41 35.486 30.896 21.060 1.00 0.00 C ATOM 626 C GLN A 41 34.197 30.204 21.487 1.00 0.00 C ATOM 627 O GLN A 41 34.104 28.976 21.460 1.00 0.00 O ATOM 628 CB GLN A 41 36.281 29.960 20.152 1.00 0.00 C ATOM 629 CG GLN A 41 35.609 29.862 18.787 1.00 0.00 C ATOM 630 CD GLN A 41 36.439 28.962 17.881 1.00 0.00 C ATOM 631 OE1 GLN A 41 37.251 28.172 18.365 1.00 0.00 O ATOM 632 NE2 GLN A 41 36.289 29.035 16.591 1.00 0.00 N ATOM 0 H GLN A 41 36.801 30.452 22.633 1.00 0.00 H new ATOM 0 HA GLN A 41 35.224 31.813 20.532 1.00 0.00 H new ATOM 0 HB2 GLN A 41 37.300 30.329 20.039 1.00 0.00 H new ATOM 0 HB3 GLN A 41 36.348 28.971 20.605 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.601 29.461 18.893 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.512 30.853 18.344 1.00 0.00 H new ATOM 0 HE21 GLN A 41 35.616 29.690 16.192 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.844 28.438 15.978 1.00 0.00 H new ATOM 641 N ARG A 42 33.197 30.994 21.868 1.00 0.00 N ATOM 642 CA ARG A 42 31.906 30.446 22.287 1.00 0.00 C ATOM 643 C ARG A 42 30.898 30.569 21.151 1.00 0.00 C ATOM 644 O ARG A 42 30.695 31.654 20.607 1.00 0.00 O ATOM 645 CB ARG A 42 31.392 31.204 23.512 1.00 0.00 C ATOM 646 CG ARG A 42 30.125 30.528 24.041 1.00 0.00 C ATOM 647 CD ARG A 42 29.617 31.292 25.265 1.00 0.00 C ATOM 648 NE ARG A 42 30.598 31.223 26.345 1.00 0.00 N ATOM 649 CZ ARG A 42 30.634 30.191 27.185 1.00 0.00 C ATOM 650 NH1 ARG A 42 29.778 29.213 27.060 1.00 0.00 N ATOM 651 NH2 ARG A 42 31.528 30.156 28.135 1.00 0.00 N1+ ATOM 0 H ARG A 42 33.253 32.012 21.896 1.00 0.00 H new ATOM 0 HA ARG A 42 32.034 29.394 22.542 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.157 31.223 24.288 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.180 32.240 23.248 1.00 0.00 H new ATOM 0 HG2 ARG A 42 29.359 30.509 23.266 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.336 29.492 24.306 1.00 0.00 H new ATOM 0 HD2 ARG A 42 29.429 32.333 25.001 1.00 0.00 H new ATOM 0 HD3 ARG A 42 28.668 30.871 25.598 1.00 0.00 H new ATOM 0 HE ARG A 42 31.270 31.982 26.458 1.00 0.00 H new ATOM 0 HH11 ARG A 42 29.079 29.239 26.317 1.00 0.00 H new ATOM 0 HH12 ARG A 42 29.808 28.423 27.705 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.198 30.919 28.233 1.00 0.00 H new ATOM 0 HH22 ARG A 42 31.557 29.366 28.779 1.00 0.00 H new ATOM 665 N LEU A 43 30.268 29.450 20.792 1.00 0.00 N ATOM 666 CA LEU A 43 29.278 29.438 19.712 1.00 0.00 C ATOM 667 C LEU A 43 27.892 29.149 20.269 1.00 0.00 C ATOM 668 O LEU A 43 27.705 28.214 21.049 1.00 0.00 O ATOM 669 CB LEU A 43 29.640 28.369 18.676 1.00 0.00 C ATOM 670 CG LEU A 43 31.087 28.556 18.209 1.00 0.00 C ATOM 671 CD1 LEU A 43 31.393 27.538 17.107 1.00 0.00 C ATOM 672 CD2 LEU A 43 31.288 29.980 17.665 1.00 0.00 C ATOM 0 H LEU A 43 30.424 28.543 21.231 1.00 0.00 H new ATOM 0 HA LEU A 43 29.277 30.419 19.236 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.515 27.376 19.108 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.964 28.434 17.824 1.00 0.00 H new ATOM 0 HG LEU A 43 31.761 28.403 19.052 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.422 27.665 16.770 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.261 26.529 17.497 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.714 27.694 16.269 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.320 30.102 17.336 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.617 30.146 16.822 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.070 30.704 18.450 1.00 0.00 H new ATOM 684 N ILE A 44 26.921 29.960 19.857 1.00 0.00 N ATOM 685 CA ILE A 44 25.539 29.802 20.309 1.00 0.00 C ATOM 686 C ILE A 44 24.580 30.003 19.138 1.00 0.00 C ATOM 687 O ILE A 44 24.596 31.046 18.484 1.00 0.00 O ATOM 688 CB ILE A 44 25.224 30.827 21.407 1.00 0.00 C ATOM 689 CG1 ILE A 44 25.995 30.477 22.685 1.00 0.00 C ATOM 690 CG2 ILE A 44 23.720 30.829 21.702 1.00 0.00 C ATOM 691 CD1 ILE A 44 26.012 31.693 23.611 1.00 0.00 C ATOM 0 H ILE A 44 27.065 30.735 19.210 1.00 0.00 H new ATOM 0 HA ILE A 44 25.415 28.796 20.709 1.00 0.00 H new ATOM 0 HB ILE A 44 25.526 31.816 21.063 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.527 29.630 23.186 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.014 30.178 22.439 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.503 31.559 22.482 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.172 31.092 20.797 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.414 29.838 22.037 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.559 31.449 24.522 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.500 32.527 23.107 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.989 31.971 23.866 1.00 0.00 H new ATOM 703 N PHE A 45 23.737 29.002 18.889 1.00 0.00 N ATOM 704 CA PHE A 45 22.754 29.077 17.805 1.00 0.00 C ATOM 705 C PHE A 45 21.344 29.068 18.386 1.00 0.00 C ATOM 706 O PHE A 45 20.977 28.160 19.132 1.00 0.00 O ATOM 707 CB PHE A 45 22.918 27.888 16.857 1.00 0.00 C ATOM 708 CG PHE A 45 21.887 27.996 15.755 1.00 0.00 C ATOM 709 CD1 PHE A 45 21.962 29.049 14.835 1.00 0.00 C ATOM 710 CD2 PHE A 45 20.856 27.055 15.657 1.00 0.00 C ATOM 711 CE1 PHE A 45 21.008 29.159 13.818 1.00 0.00 C ATOM 712 CE2 PHE A 45 19.903 27.163 14.638 1.00 0.00 C ATOM 713 CZ PHE A 45 19.979 28.215 13.718 1.00 0.00 C ATOM 0 H PHE A 45 23.713 28.132 19.420 1.00 0.00 H new ATOM 0 HA PHE A 45 22.916 30.001 17.250 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.923 27.879 16.434 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.792 26.952 17.401 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.757 29.776 14.911 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.796 26.245 16.368 1.00 0.00 H new ATOM 0 HE1 PHE A 45 21.065 29.972 13.110 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.109 26.435 14.562 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.244 28.299 12.931 1.00 0.00 H new ATOM 723 N ALA A 46 20.558 30.082 18.043 1.00 0.00 N ATOM 724 CA ALA A 46 19.191 30.176 18.545 1.00 0.00 C ATOM 725 C ALA A 46 19.174 30.138 20.071 1.00 0.00 C ATOM 726 O ALA A 46 18.156 29.807 20.681 1.00 0.00 O ATOM 727 CB ALA A 46 18.352 29.021 17.996 1.00 0.00 C ATOM 0 H ALA A 46 20.839 30.844 17.426 1.00 0.00 H new ATOM 0 HA ALA A 46 18.768 31.124 18.212 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.333 29.099 18.376 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.338 29.067 16.907 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.786 28.073 18.314 1.00 0.00 H new ATOM 733 N GLY A 47 20.307 30.480 20.682 1.00 0.00 N ATOM 734 CA GLY A 47 20.417 30.486 22.142 1.00 0.00 C ATOM 735 C GLY A 47 20.990 29.168 22.653 1.00 0.00 C ATOM 736 O GLY A 47 21.354 29.051 23.823 1.00 0.00 O ATOM 0 H GLY A 47 21.159 30.755 20.193 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.055 31.311 22.459 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.435 30.655 22.583 1.00 0.00 H new ATOM 740 N LYS A 48 21.069 28.179 21.767 1.00 0.00 N ATOM 741 CA LYS A 48 21.602 26.871 22.140 1.00 0.00 C ATOM 742 C LYS A 48 23.124 26.869 22.050 1.00 0.00 C ATOM 743 O LYS A 48 23.694 27.181 21.004 1.00 0.00 O ATOM 744 CB LYS A 48 21.037 25.795 21.211 1.00 0.00 C ATOM 745 CG LYS A 48 19.517 25.741 21.358 1.00 0.00 C ATOM 746 CD LYS A 48 18.947 24.733 20.361 1.00 0.00 C ATOM 747 CE LYS A 48 17.424 24.695 20.485 1.00 0.00 C ATOM 748 NZ LYS A 48 16.871 23.732 19.492 1.00 0.00 N1+ ATOM 0 H LYS A 48 20.774 28.256 20.794 1.00 0.00 H new ATOM 0 HA LYS A 48 21.308 26.658 23.168 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.305 26.014 20.178 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.471 24.825 21.454 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.249 25.455 22.375 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.088 26.727 21.181 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.233 25.009 19.346 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.362 23.743 20.551 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.137 24.399 21.494 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.009 25.689 20.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.835 23.705 19.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.134 24.034 18.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.258 22.784 19.675 1.00 0.00 H new ATOM 762 N GLN A 49 23.778 26.514 23.151 1.00 0.00 N ATOM 763 CA GLN A 49 25.236 26.477 23.179 1.00 0.00 C ATOM 764 C GLN A 49 25.756 25.210 22.512 1.00 0.00 C ATOM 765 O GLN A 49 25.284 24.108 22.791 1.00 0.00 O ATOM 766 CB GLN A 49 25.739 26.534 24.622 1.00 0.00 C ATOM 767 CG GLN A 49 27.270 26.520 24.624 1.00 0.00 C ATOM 768 CD GLN A 49 27.795 26.731 26.040 1.00 0.00 C ATOM 769 OE1 GLN A 49 27.178 27.440 26.834 1.00 0.00 O ATOM 770 NE2 GLN A 49 28.907 26.150 26.404 1.00 0.00 N ATOM 0 H GLN A 49 23.328 26.250 24.027 1.00 0.00 H new ATOM 0 HA GLN A 49 25.607 27.343 22.631 1.00 0.00 H new ATOM 0 HB2 GLN A 49 25.371 27.435 25.112 1.00 0.00 H new ATOM 0 HB3 GLN A 49 25.355 25.685 25.187 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.633 25.570 24.231 1.00 0.00 H new ATOM 0 HG3 GLN A 49 27.649 27.303 23.967 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.416 25.563 25.743 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.266 26.283 27.349 1.00 0.00 H new ATOM 779 N LEU A 50 26.733 25.377 21.625 1.00 0.00 N ATOM 780 CA LEU A 50 27.321 24.245 20.912 1.00 0.00 C ATOM 781 C LEU A 50 28.492 23.659 21.691 1.00 0.00 C ATOM 782 O LEU A 50 29.182 24.365 22.426 1.00 0.00 O ATOM 783 CB LEU A 50 27.807 24.701 19.537 1.00 0.00 C ATOM 784 CG LEU A 50 26.719 25.536 18.857 1.00 0.00 C ATOM 785 CD1 LEU A 50 27.152 25.867 17.426 1.00 0.00 C ATOM 786 CD2 LEU A 50 25.407 24.742 18.831 1.00 0.00 C ATOM 0 H LEU A 50 27.134 26.283 21.383 1.00 0.00 H new ATOM 0 HA LEU A 50 26.557 23.476 20.801 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.719 25.289 19.639 1.00 0.00 H new ATOM 0 HB3 LEU A 50 28.053 23.835 18.922 1.00 0.00 H new ATOM 0 HG LEU A 50 26.568 26.462 19.412 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.378 26.462 16.940 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.083 26.433 17.449 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.303 24.943 16.868 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.632 25.336 18.347 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.554 23.815 18.276 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.102 24.510 19.851 1.00 0.00 H new ATOM 798 N GLU A 51 28.709 22.359 21.513 1.00 0.00 N ATOM 799 CA GLU A 51 29.799 21.660 22.190 1.00 0.00 C ATOM 800 C GLU A 51 30.322 20.533 21.304 1.00 0.00 C ATOM 801 O GLU A 51 29.599 20.019 20.450 1.00 0.00 O ATOM 802 CB GLU A 51 29.306 21.085 23.523 1.00 0.00 C ATOM 803 CG GLU A 51 29.191 22.206 24.560 1.00 0.00 C ATOM 804 CD GLU A 51 28.665 21.648 25.878 1.00 0.00 C ATOM 805 OE1 GLU A 51 28.239 20.504 25.886 1.00 0.00 O ATOM 806 OE2 GLU A 51 28.701 22.370 26.860 1.00 0.00 O1- ATOM 0 H GLU A 51 28.144 21.767 20.905 1.00 0.00 H new ATOM 0 HA GLU A 51 30.606 22.367 22.384 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.338 20.603 23.386 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.996 20.319 23.877 1.00 0.00 H new ATOM 0 HG2 GLU A 51 30.165 22.670 24.715 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.522 22.985 24.193 1.00 0.00 H new ATOM 813 N ASP A 52 31.577 20.151 21.509 1.00 0.00 N ATOM 814 CA ASP A 52 32.174 19.084 20.716 1.00 0.00 C ATOM 815 C ASP A 52 31.438 17.770 20.957 1.00 0.00 C ATOM 816 O ASP A 52 30.967 17.506 22.064 1.00 0.00 O ATOM 817 CB ASP A 52 33.650 18.921 21.084 1.00 0.00 C ATOM 818 CG ASP A 52 34.383 20.245 20.896 1.00 0.00 C ATOM 819 OD1 ASP A 52 34.708 20.566 19.765 1.00 0.00 O1- ATOM 820 OD2 ASP A 52 34.611 20.920 21.888 1.00 0.00 O ATOM 0 H ASP A 52 32.195 20.559 22.210 1.00 0.00 H new ATOM 0 HA ASP A 52 32.093 19.348 19.662 1.00 0.00 H new ATOM 0 HB2 ASP A 52 33.741 18.589 22.118 1.00 0.00 H new ATOM 0 HB3 ASP A 52 34.106 18.152 20.461 1.00 0.00 H new ATOM 825 N GLY A 53 31.337 16.949 19.912 1.00 0.00 N ATOM 826 CA GLY A 53 30.650 15.660 20.014 1.00 0.00 C ATOM 827 C GLY A 53 29.239 15.749 19.443 1.00 0.00 C ATOM 828 O GLY A 53 28.431 14.836 19.617 1.00 0.00 O ATOM 0 H GLY A 53 31.720 17.151 18.989 1.00 0.00 H new ATOM 0 HA2 GLY A 53 31.216 14.898 19.478 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.605 15.349 21.058 1.00 0.00 H new ATOM 832 N ARG A 54 28.948 16.855 18.759 1.00 0.00 N ATOM 833 CA ARG A 54 27.630 17.066 18.160 1.00 0.00 C ATOM 834 C ARG A 54 27.770 17.683 16.772 1.00 0.00 C ATOM 835 O ARG A 54 28.647 18.510 16.538 1.00 0.00 O ATOM 836 CB ARG A 54 26.804 17.991 19.059 1.00 0.00 C ATOM 837 CG ARG A 54 26.314 17.207 20.281 1.00 0.00 C ATOM 838 CD ARG A 54 25.530 18.133 21.212 1.00 0.00 C ATOM 839 NE ARG A 54 24.930 17.366 22.298 1.00 0.00 N ATOM 840 CZ ARG A 54 24.310 17.969 23.306 1.00 0.00 C ATOM 841 NH1 ARG A 54 24.224 19.272 23.334 1.00 0.00 N ATOM 842 NH2 ARG A 54 23.785 17.261 24.267 1.00 0.00 N1+ ATOM 0 H ARG A 54 29.607 17.619 18.606 1.00 0.00 H new ATOM 0 HA ARG A 54 27.126 16.105 18.064 1.00 0.00 H new ATOM 0 HB2 ARG A 54 27.407 18.842 19.377 1.00 0.00 H new ATOM 0 HB3 ARG A 54 25.955 18.391 18.505 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.683 16.377 19.963 1.00 0.00 H new ATOM 0 HG3 ARG A 54 27.163 16.776 20.812 1.00 0.00 H new ATOM 0 HD2 ARG A 54 26.192 18.897 21.619 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.753 18.652 20.651 1.00 0.00 H new ATOM 0 HE ARG A 54 24.988 16.348 22.283 1.00 0.00 H new ATOM 0 HH11 ARG A 54 24.633 19.826 22.582 1.00 0.00 H new ATOM 0 HH12 ARG A 54 23.748 19.735 24.108 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.850 16.243 24.245 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.309 17.725 25.041 1.00 0.00 H new ATOM 856 N THR A 55 26.902 17.272 15.851 1.00 0.00 N ATOM 857 CA THR A 55 26.934 17.791 14.483 1.00 0.00 C ATOM 858 C THR A 55 25.965 18.958 14.334 1.00 0.00 C ATOM 859 O THR A 55 25.212 19.272 15.253 1.00 0.00 O ATOM 860 CB THR A 55 26.546 16.687 13.496 1.00 0.00 C ATOM 861 OG1 THR A 55 25.322 16.095 13.910 1.00 0.00 O ATOM 862 CG2 THR A 55 27.640 15.620 13.457 1.00 0.00 C ATOM 0 H THR A 55 26.170 16.584 16.024 1.00 0.00 H new ATOM 0 HA THR A 55 27.946 18.135 14.269 1.00 0.00 H new ATOM 0 HB THR A 55 26.428 17.117 12.501 1.00 0.00 H new ATOM 0 HG1 THR A 55 25.070 15.389 13.279 1.00 0.00 H new ATOM 0 HG21 THR A 55 27.359 14.837 12.753 1.00 0.00 H new ATOM 0 HG22 THR A 55 28.579 16.073 13.140 1.00 0.00 H new ATOM 0 HG23 THR A 55 27.763 15.188 14.450 1.00 0.00 H new ATOM 870 N LEU A 56 25.979 19.590 13.170 1.00 0.00 N ATOM 871 CA LEU A 56 25.082 20.709 12.916 1.00 0.00 C ATOM 872 C LEU A 56 23.638 20.217 12.899 1.00 0.00 C ATOM 873 O LEU A 56 22.723 20.921 13.326 1.00 0.00 O ATOM 874 CB LEU A 56 25.415 21.347 11.566 1.00 0.00 C ATOM 875 CG LEU A 56 26.848 21.904 11.582 1.00 0.00 C ATOM 876 CD1 LEU A 56 27.252 22.321 10.164 1.00 0.00 C ATOM 877 CD2 LEU A 56 26.938 23.121 12.520 1.00 0.00 C ATOM 0 H LEU A 56 26.595 19.351 12.393 1.00 0.00 H new ATOM 0 HA LEU A 56 25.206 21.449 13.706 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.313 20.608 10.771 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.708 22.148 11.350 1.00 0.00 H new ATOM 0 HG LEU A 56 27.523 21.128 11.943 1.00 0.00 H new ATOM 0 HD11 LEU A 56 28.268 22.716 10.176 1.00 0.00 H new ATOM 0 HD12 LEU A 56 27.207 21.455 9.503 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.569 23.089 9.802 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.958 23.505 12.521 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.258 23.899 12.173 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.661 22.822 13.531 1.00 0.00 H new ATOM 889 N SER A 57 23.449 19.002 12.394 1.00 0.00 N ATOM 890 CA SER A 57 22.118 18.407 12.312 1.00 0.00 C ATOM 891 C SER A 57 21.536 18.161 13.702 1.00 0.00 C ATOM 892 O SER A 57 20.325 17.998 13.852 1.00 0.00 O ATOM 893 CB SER A 57 22.185 17.085 11.547 1.00 0.00 C ATOM 894 OG SER A 57 20.871 16.566 11.392 1.00 0.00 O ATOM 0 H SER A 57 24.199 18.410 12.036 1.00 0.00 H new ATOM 0 HA SER A 57 21.469 19.106 11.785 1.00 0.00 H new ATOM 0 HB2 SER A 57 22.645 17.239 10.571 1.00 0.00 H new ATOM 0 HB3 SER A 57 22.809 16.371 12.085 1.00 0.00 H new ATOM 0 HG SER A 57 20.910 15.719 10.901 1.00 0.00 H new ATOM 900 N ASP A 58 22.393 18.147 14.718 1.00 0.00 N ATOM 901 CA ASP A 58 21.929 17.933 16.087 1.00 0.00 C ATOM 902 C ASP A 58 21.322 19.216 16.635 1.00 0.00 C ATOM 903 O ASP A 58 20.312 19.193 17.340 1.00 0.00 O ATOM 904 CB ASP A 58 23.091 17.494 16.982 1.00 0.00 C ATOM 905 CG ASP A 58 23.499 16.063 16.649 1.00 0.00 C ATOM 906 OD1 ASP A 58 22.702 15.363 16.048 1.00 0.00 O1- ATOM 907 OD2 ASP A 58 24.606 15.687 17.001 1.00 0.00 O ATOM 0 H ASP A 58 23.400 18.279 14.624 1.00 0.00 H new ATOM 0 HA ASP A 58 21.173 17.148 16.078 1.00 0.00 H new ATOM 0 HB2 ASP A 58 23.940 18.164 16.843 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.799 17.562 18.030 1.00 0.00 H new ATOM 912 N TYR A 59 21.954 20.338 16.306 1.00 0.00 N ATOM 913 CA TYR A 59 21.487 21.640 16.764 1.00 0.00 C ATOM 914 C TYR A 59 20.393 22.179 15.843 1.00 0.00 C ATOM 915 O TYR A 59 19.903 23.291 16.032 1.00 0.00 O ATOM 916 CB TYR A 59 22.657 22.619 16.789 1.00 0.00 C ATOM 917 CG TYR A 59 23.722 22.127 17.742 1.00 0.00 C ATOM 918 CD1 TYR A 59 23.527 22.234 19.124 1.00 0.00 C ATOM 919 CD2 TYR A 59 24.911 21.574 17.245 1.00 0.00 C ATOM 920 CE1 TYR A 59 24.519 21.790 20.008 1.00 0.00 C ATOM 921 CE2 TYR A 59 25.903 21.134 18.128 1.00 0.00 C ATOM 922 CZ TYR A 59 25.706 21.242 19.509 1.00 0.00 C ATOM 923 OH TYR A 59 26.684 20.811 20.381 1.00 0.00 O ATOM 0 H TYR A 59 22.791 20.371 15.724 1.00 0.00 H new ATOM 0 HA TYR A 59 21.074 21.528 17.766 1.00 0.00 H new ATOM 0 HB2 TYR A 59 23.074 22.725 15.788 1.00 0.00 H new ATOM 0 HB3 TYR A 59 22.310 23.606 17.096 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.612 22.659 19.509 1.00 0.00 H new ATOM 0 HD2 TYR A 59 25.061 21.488 16.179 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.368 21.871 21.074 1.00 0.00 H new ATOM 0 HE2 TYR A 59 26.820 20.711 17.744 1.00 0.00 H new ATOM 0 HH TYR A 59 26.417 21.019 21.301 1.00 0.00 H new ATOM 933 N ASN A 60 20.019 21.383 14.844 1.00 0.00 N ATOM 934 CA ASN A 60 18.984 21.785 13.895 1.00 0.00 C ATOM 935 C ASN A 60 19.429 23.007 13.094 1.00 0.00 C ATOM 936 O ASN A 60 18.602 23.782 12.613 1.00 0.00 O ATOM 937 CB ASN A 60 17.684 22.106 14.639 1.00 0.00 C ATOM 938 CG ASN A 60 17.427 21.060 15.718 1.00 0.00 C ATOM 939 OD1 ASN A 60 17.910 19.932 15.619 1.00 0.00 O ATOM 940 ND2 ASN A 60 16.690 21.369 16.750 1.00 0.00 N ATOM 0 H ASN A 60 20.415 20.459 14.671 1.00 0.00 H new ATOM 0 HA ASN A 60 18.813 20.957 13.206 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.749 23.096 15.090 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.850 22.129 13.937 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.513 20.675 17.477 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.291 22.304 16.830 1.00 0.00 H new ATOM 947 N ILE A 61 20.741 23.172 12.957 1.00 0.00 N ATOM 948 CA ILE A 61 21.293 24.301 12.215 1.00 0.00 C ATOM 949 C ILE A 61 21.152 24.076 10.709 1.00 0.00 C ATOM 950 O ILE A 61 21.473 23.003 10.198 1.00 0.00 O ATOM 951 CB ILE A 61 22.770 24.483 12.593 1.00 0.00 C ATOM 952 CG1 ILE A 61 22.859 25.034 14.019 1.00 0.00 C ATOM 953 CG2 ILE A 61 23.445 25.468 11.635 1.00 0.00 C ATOM 954 CD1 ILE A 61 24.284 24.868 14.548 1.00 0.00 C ATOM 0 H ILE A 61 21.440 22.541 13.349 1.00 0.00 H new ATOM 0 HA ILE A 61 20.740 25.204 12.474 1.00 0.00 H new ATOM 0 HB ILE A 61 23.274 23.519 12.528 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.577 26.087 14.031 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.157 24.509 14.667 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.492 25.588 11.914 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.383 25.085 10.616 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.942 26.433 11.691 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.343 25.261 15.563 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.550 23.811 14.552 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.976 25.413 13.906 1.00 0.00 H new ATOM 966 N GLN A 62 20.666 25.101 10.005 1.00 0.00 N ATOM 967 CA GLN A 62 20.475 25.024 8.553 1.00 0.00 C ATOM 968 C GLN A 62 21.336 26.066 7.843 1.00 0.00 C ATOM 969 O GLN A 62 22.378 26.475 8.355 1.00 0.00 O ATOM 970 CB GLN A 62 19.004 25.263 8.216 1.00 0.00 C ATOM 971 CG GLN A 62 18.137 24.278 9.001 1.00 0.00 C ATOM 972 CD GLN A 62 16.667 24.477 8.645 1.00 0.00 C ATOM 973 OE1 GLN A 62 16.309 24.484 7.468 1.00 0.00 O ATOM 974 NE2 GLN A 62 15.793 24.643 9.599 1.00 0.00 N ATOM 0 H GLN A 62 20.397 25.995 10.416 1.00 0.00 H new ATOM 0 HA GLN A 62 20.774 24.032 8.214 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.725 26.287 8.463 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.839 25.137 7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.439 23.255 8.775 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.283 24.425 10.071 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.094 24.636 10.573 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.808 24.779 9.370 1.00 0.00 H new ATOM 983 N LYS A 63 20.894 26.490 6.662 1.00 0.00 N ATOM 984 CA LYS A 63 21.636 27.480 5.888 1.00 0.00 C ATOM 985 C LYS A 63 21.394 28.888 6.430 1.00 0.00 C ATOM 986 O LYS A 63 20.406 29.140 7.120 1.00 0.00 O ATOM 987 CB LYS A 63 21.215 27.416 4.412 1.00 0.00 C ATOM 988 CG LYS A 63 22.318 28.007 3.525 1.00 0.00 C ATOM 989 CD LYS A 63 21.917 27.874 2.055 1.00 0.00 C ATOM 990 CE LYS A 63 23.084 28.308 1.166 1.00 0.00 C ATOM 991 NZ LYS A 63 23.455 29.717 1.483 1.00 0.00 N1+ ATOM 0 H LYS A 63 20.032 26.166 6.223 1.00 0.00 H new ATOM 0 HA LYS A 63 22.699 27.253 5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.021 26.382 4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.286 27.967 4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.478 29.056 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 63 23.260 27.489 3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.642 26.843 1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.041 28.489 1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 63 23.939 27.651 1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 63 22.806 28.222 0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.046 30.101 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.592 30.291 1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 23.986 29.744 2.377 1.00 0.00 H new ATOM 1005 N GLU A 64 22.306 29.797 6.106 1.00 0.00 N ATOM 1006 CA GLU A 64 22.198 31.182 6.552 1.00 0.00 C ATOM 1007 C GLU A 64 21.915 31.254 8.050 1.00 0.00 C ATOM 1008 O GLU A 64 21.451 32.278 8.550 1.00 0.00 O ATOM 1009 CB GLU A 64 21.080 31.904 5.791 1.00 0.00 C ATOM 1010 CG GLU A 64 21.096 31.479 4.321 1.00 0.00 C ATOM 1011 CD GLU A 64 20.253 32.439 3.487 1.00 0.00 C ATOM 1012 OE1 GLU A 64 19.910 33.494 3.997 1.00 0.00 O1- ATOM 1013 OE2 GLU A 64 19.960 32.105 2.351 1.00 0.00 O ATOM 0 H GLU A 64 23.129 29.601 5.536 1.00 0.00 H new ATOM 0 HA GLU A 64 23.151 31.671 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.113 31.669 6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 64 21.213 32.983 5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.121 31.466 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.709 30.465 4.224 1.00 0.00 H new ATOM 1020 N SER A 65 22.201 30.172 8.766 1.00 0.00 N ATOM 1021 CA SER A 65 21.970 30.154 10.205 1.00 0.00 C ATOM 1022 C SER A 65 22.905 31.149 10.888 1.00 0.00 C ATOM 1023 O SER A 65 24.104 31.163 10.621 1.00 0.00 O ATOM 1024 CB SER A 65 22.195 28.739 10.752 1.00 0.00 C ATOM 1025 OG SER A 65 20.968 28.023 10.712 1.00 0.00 O ATOM 0 H SER A 65 22.587 29.310 8.381 1.00 0.00 H new ATOM 0 HA SER A 65 20.940 30.444 10.411 1.00 0.00 H new ATOM 0 HB2 SER A 65 22.951 28.223 10.160 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.569 28.787 11.775 1.00 0.00 H new ATOM 0 HG SER A 65 20.565 28.014 11.605 1.00 0.00 H new ATOM 1031 N THR A 66 22.346 31.991 11.755 1.00 0.00 N ATOM 1032 CA THR A 66 23.143 32.998 12.455 1.00 0.00 C ATOM 1033 C THR A 66 23.796 32.411 13.701 1.00 0.00 C ATOM 1034 O THR A 66 23.120 32.055 14.664 1.00 0.00 O ATOM 1035 CB THR A 66 22.250 34.191 12.836 1.00 0.00 C ATOM 1036 OG1 THR A 66 21.974 34.958 11.672 1.00 0.00 O ATOM 1037 CG2 THR A 66 22.954 35.076 13.873 1.00 0.00 C ATOM 0 H THR A 66 21.353 31.997 11.989 1.00 0.00 H new ATOM 0 HA THR A 66 23.936 33.337 11.788 1.00 0.00 H new ATOM 0 HB THR A 66 21.321 33.816 13.266 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.404 35.719 11.909 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.309 35.916 14.132 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.165 34.491 14.768 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.889 35.451 13.456 1.00 0.00 H new ATOM 1045 N LEU A 67 25.122 32.333 13.669 1.00 0.00 N ATOM 1046 CA LEU A 67 25.890 31.805 14.792 1.00 0.00 C ATOM 1047 C LEU A 67 26.375 32.953 15.670 1.00 0.00 C ATOM 1048 O LEU A 67 27.233 33.734 15.260 1.00 0.00 O ATOM 1049 CB LEU A 67 27.106 31.034 14.263 1.00 0.00 C ATOM 1050 CG LEU A 67 26.668 29.717 13.597 1.00 0.00 C ATOM 1051 CD1 LEU A 67 25.992 28.789 14.624 1.00 0.00 C ATOM 1052 CD2 LEU A 67 25.702 30.020 12.438 1.00 0.00 C ATOM 0 H LEU A 67 25.689 32.630 12.875 1.00 0.00 H new ATOM 0 HA LEU A 67 25.255 31.140 15.377 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.648 31.648 13.544 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.793 30.822 15.082 1.00 0.00 H new ATOM 0 HG LEU A 67 27.550 29.209 13.207 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.689 27.863 14.134 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.694 28.562 15.427 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.114 29.284 15.039 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.393 29.086 11.968 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.825 30.540 12.822 1.00 0.00 H new ATOM 0 HD23 LEU A 67 26.203 30.648 11.702 1.00 0.00 H new ATOM 1064 N HIS A 68 25.828 33.057 16.876 1.00 0.00 N ATOM 1065 CA HIS A 68 26.231 34.126 17.783 1.00 0.00 C ATOM 1066 C HIS A 68 27.594 33.827 18.389 1.00 0.00 C ATOM 1067 O HIS A 68 27.768 32.828 19.088 1.00 0.00 O ATOM 1068 CB HIS A 68 25.203 34.293 18.905 1.00 0.00 C ATOM 1069 CG HIS A 68 23.873 34.664 18.310 1.00 0.00 C ATOM 1070 ND1 HIS A 68 22.824 33.763 18.226 1.00 0.00 N ATOM 1071 CD2 HIS A 68 23.410 35.832 17.756 1.00 0.00 C ATOM 1072 CE1 HIS A 68 21.791 34.396 17.641 1.00 0.00 C ATOM 1073 NE2 HIS A 68 22.095 35.661 17.334 1.00 0.00 N ATOM 0 H HIS A 68 25.116 32.426 17.244 1.00 0.00 H new ATOM 0 HA HIS A 68 26.289 35.051 17.209 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.114 33.367 19.473 1.00 0.00 H new ATOM 0 HB3 HIS A 68 25.530 35.065 19.602 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.980 36.745 17.662 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.833 33.938 17.444 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.493 36.352 16.887 1.00 0.00 H new ATOM 1081 N ILE A 69 28.559 34.708 18.130 1.00 0.00 N ATOM 1082 CA ILE A 69 29.908 34.545 18.668 1.00 0.00 C ATOM 1083 C ILE A 69 30.124 35.530 19.813 1.00 0.00 C ATOM 1084 O ILE A 69 30.138 36.743 19.613 1.00 0.00 O ATOM 1085 CB ILE A 69 30.955 34.770 17.563 1.00 0.00 C ATOM 1086 CG1 ILE A 69 30.551 35.956 16.681 1.00 0.00 C ATOM 1087 CG2 ILE A 69 31.054 33.519 16.688 1.00 0.00 C ATOM 1088 CD1 ILE A 69 31.731 36.357 15.782 1.00 0.00 C ATOM 0 H ILE A 69 28.432 35.539 17.553 1.00 0.00 H new ATOM 0 HA ILE A 69 30.022 33.529 19.046 1.00 0.00 H new ATOM 0 HB ILE A 69 31.916 34.978 18.033 1.00 0.00 H new ATOM 0 HG12 ILE A 69 29.689 35.690 16.069 1.00 0.00 H new ATOM 0 HG13 ILE A 69 30.252 36.799 17.303 1.00 0.00 H new ATOM 0 HG21 ILE A 69 31.796 33.680 15.906 1.00 0.00 H new ATOM 0 HG22 ILE A 69 31.352 32.669 17.301 1.00 0.00 H new ATOM 0 HG23 ILE A 69 30.085 33.316 16.233 1.00 0.00 H new ATOM 0 HD11 ILE A 69 31.441 37.201 15.156 1.00 0.00 H new ATOM 0 HD12 ILE A 69 32.581 36.641 16.402 1.00 0.00 H new ATOM 0 HD13 ILE A 69 32.009 35.514 15.149 1.00 0.00 H new ATOM 1100 N VAL A 70 30.283 34.997 21.021 1.00 0.00 N ATOM 1101 CA VAL A 70 30.488 35.836 22.199 1.00 0.00 C ATOM 1102 C VAL A 70 31.978 36.061 22.431 1.00 0.00 C ATOM 1103 O VAL A 70 32.710 35.134 22.780 1.00 0.00 O ATOM 1104 CB VAL A 70 29.862 35.161 23.425 1.00 0.00 C ATOM 1105 CG1 VAL A 70 29.644 36.193 24.533 1.00 0.00 C ATOM 1106 CG2 VAL A 70 28.514 34.547 23.030 1.00 0.00 C ATOM 0 H VAL A 70 30.274 33.995 21.210 1.00 0.00 H new ATOM 0 HA VAL A 70 30.010 36.802 22.037 1.00 0.00 H new ATOM 0 HB VAL A 70 30.532 34.381 23.788 1.00 0.00 H new ATOM 0 HG11 VAL A 70 29.199 35.706 25.401 1.00 0.00 H new ATOM 0 HG12 VAL A 70 30.601 36.632 24.814 1.00 0.00 H new ATOM 0 HG13 VAL A 70 28.976 36.976 24.174 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.065 34.066 23.899 1.00 0.00 H new ATOM 0 HG22 VAL A 70 27.850 35.331 22.666 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.667 33.807 22.244 1.00 0.00 H new