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 55 THR OG1 : rot 119:sc= 0.725 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.648 USER MOD Set 2.1: A 34 THR OG1 : rot -71:sc= 0.59 USER MOD Set 2.2: A 41 GLN : amide:sc= -2.59! X(o=-2!,f=-1.7) USER MOD Set 3.1: A 1 MET N :NH3+ 140:sc= -4.61! (180deg=0) USER MOD Set 3.2: A 2 GLN : amide:sc= -9.13! C(o=-14!,f=-1.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -29:sc= 0.367 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 37:sc= 0.503 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00606 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.56! C(o=-2.6!,f=-5.2!) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= 0.472 (180deg=0.203) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0824 K(o=-0.082,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= -0.0697 (180deg=-0.602) USER MOD Single : A 40 GLN : amide:sc= -2.44! K(o=-2.4!,f=-0.38) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.0239 (180deg=-0.375) USER MOD Single : A 49 GLN : amide:sc=-0.00133 K(o=-0.0013,f=-0.8) USER MOD Single : A 59 TYR OH : rot 15:sc= -0.165 USER MOD Single : A 60 ASN : amide:sc= -0.587 K(o=-0.59,f=-2.7!) USER MOD Single : A 62 GLN : amide:sc= -0.0329 K(o=-0.033,f=-1.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -73:sc= 1.41 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.315 24.504 1.652 1.00 0.00 N ATOM 2 CA MET A 1 25.445 24.947 2.777 1.00 0.00 C ATOM 3 C MET A 1 26.267 25.780 3.755 1.00 0.00 C ATOM 4 O MET A 1 26.787 25.260 4.742 1.00 0.00 O ATOM 5 CB MET A 1 24.871 23.722 3.490 1.00 0.00 C ATOM 6 CG MET A 1 23.730 24.160 4.410 1.00 0.00 C ATOM 7 SD MET A 1 23.075 22.719 5.291 1.00 0.00 S ATOM 8 CE MET A 1 24.104 22.864 6.773 1.00 0.00 C ATOM 0 H1 MET A 1 26.082 23.522 1.399 1.00 0.00 H new ATOM 0 H2 MET A 1 26.159 25.120 0.829 1.00 0.00 H new ATOM 0 H3 MET A 1 27.312 24.560 1.942 1.00 0.00 H new ATOM 0 HA MET A 1 24.625 25.553 2.391 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.507 22.999 2.760 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.650 23.226 4.069 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.088 24.903 5.123 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.940 24.633 3.827 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.860 22.058 7.465 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.156 22.797 6.494 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.917 23.824 7.253 1.00 0.00 H new ATOM 18 N GLN A 2 26.379 27.076 3.475 1.00 0.00 N ATOM 19 CA GLN A 2 27.141 27.978 4.338 1.00 0.00 C ATOM 20 C GLN A 2 26.255 28.529 5.450 1.00 0.00 C ATOM 21 O GLN A 2 25.080 28.179 5.551 1.00 0.00 O ATOM 22 CB GLN A 2 27.701 29.139 3.512 1.00 0.00 C ATOM 23 CG GLN A 2 28.627 28.592 2.423 1.00 0.00 C ATOM 24 CD GLN A 2 27.810 27.866 1.359 1.00 0.00 C ATOM 25 OE1 GLN A 2 27.135 28.502 0.550 1.00 0.00 O ATOM 26 NE2 GLN A 2 27.827 26.561 1.314 1.00 0.00 N ATOM 0 H GLN A 2 25.955 27.524 2.663 1.00 0.00 H new ATOM 0 HA GLN A 2 27.962 27.417 4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.886 29.704 3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 2 28.247 29.827 4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 2 29.188 29.408 1.968 1.00 0.00 H new ATOM 0 HG3 GLN A 2 29.355 27.910 2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 2 28.387 26.035 1.985 1.00 0.00 H new ATOM 0 HE22 GLN A 2 27.281 26.068 0.608 1.00 0.00 H new ATOM 35 N ILE A 3 26.827 29.400 6.281 1.00 0.00 N ATOM 36 CA ILE A 3 26.083 30.005 7.384 1.00 0.00 C ATOM 37 C ILE A 3 26.590 31.418 7.649 1.00 0.00 C ATOM 38 O ILE A 3 27.787 31.689 7.543 1.00 0.00 O ATOM 39 CB ILE A 3 26.242 29.165 8.652 1.00 0.00 C ATOM 40 CG1 ILE A 3 27.720 28.838 8.862 1.00 0.00 C ATOM 41 CG2 ILE A 3 25.442 27.869 8.513 1.00 0.00 C ATOM 42 CD1 ILE A 3 27.926 28.283 10.273 1.00 0.00 C ATOM 0 H ILE A 3 27.799 29.701 6.212 1.00 0.00 H new ATOM 0 HA ILE A 3 25.029 30.045 7.107 1.00 0.00 H new ATOM 0 HB ILE A 3 25.870 29.726 9.509 1.00 0.00 H new ATOM 0 HG12 ILE A 3 28.051 28.110 8.122 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.325 29.734 8.720 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.557 27.272 9.418 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.388 28.106 8.366 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.810 27.304 7.656 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.980 28.050 10.422 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.612 29.026 11.006 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.333 27.377 10.398 1.00 0.00 H new ATOM 54 N PHE A 4 25.671 32.311 7.998 1.00 0.00 N ATOM 55 CA PHE A 4 26.025 33.701 8.284 1.00 0.00 C ATOM 56 C PHE A 4 26.230 33.891 9.783 1.00 0.00 C ATOM 57 O PHE A 4 25.298 33.744 10.572 1.00 0.00 O ATOM 58 CB PHE A 4 24.919 34.641 7.788 1.00 0.00 C ATOM 59 CG PHE A 4 24.408 34.227 6.415 1.00 0.00 C ATOM 60 CD1 PHE A 4 25.210 33.491 5.517 1.00 0.00 C ATOM 61 CD2 PHE A 4 23.112 34.598 6.035 1.00 0.00 C ATOM 62 CE1 PHE A 4 24.708 33.137 4.258 1.00 0.00 C ATOM 63 CE2 PHE A 4 22.616 34.241 4.776 1.00 0.00 C ATOM 64 CZ PHE A 4 23.413 33.511 3.889 1.00 0.00 C ATOM 0 H PHE A 4 24.677 32.101 8.090 1.00 0.00 H new ATOM 0 HA PHE A 4 26.953 33.939 7.764 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.094 34.640 8.500 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.300 35.661 7.743 1.00 0.00 H new ATOM 0 HD1 PHE A 4 26.211 33.201 5.800 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.493 35.162 6.717 1.00 0.00 H new ATOM 0 HE1 PHE A 4 25.323 32.574 3.571 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.616 34.530 4.489 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.028 33.236 2.918 1.00 0.00 H new ATOM 74 N VAL A 5 27.465 34.214 10.164 1.00 0.00 N ATOM 75 CA VAL A 5 27.809 34.421 11.572 1.00 0.00 C ATOM 76 C VAL A 5 27.922 35.909 11.883 1.00 0.00 C ATOM 77 O VAL A 5 28.622 36.645 11.189 1.00 0.00 O ATOM 78 CB VAL A 5 29.148 33.741 11.876 1.00 0.00 C ATOM 79 CG1 VAL A 5 29.051 32.237 11.581 1.00 0.00 C ATOM 80 CG2 VAL A 5 30.250 34.372 11.015 1.00 0.00 C ATOM 0 H VAL A 5 28.245 34.338 9.518 1.00 0.00 H new ATOM 0 HA VAL A 5 27.021 33.989 12.190 1.00 0.00 H new ATOM 0 HB VAL A 5 29.390 33.879 12.930 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.007 31.761 11.800 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.274 31.793 12.204 1.00 0.00 H new ATOM 0 HG13 VAL A 5 28.803 32.088 10.530 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.203 33.888 11.231 1.00 0.00 H new ATOM 0 HG22 VAL A 5 30.008 34.241 9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.324 35.436 11.241 1.00 0.00 H new ATOM 90 N LYS A 6 27.231 36.346 12.933 1.00 0.00 N ATOM 91 CA LYS A 6 27.265 37.754 13.331 1.00 0.00 C ATOM 92 C LYS A 6 28.417 38.007 14.299 1.00 0.00 C ATOM 93 O LYS A 6 28.368 37.596 15.458 1.00 0.00 O ATOM 94 CB LYS A 6 25.938 38.135 13.988 1.00 0.00 C ATOM 95 CG LYS A 6 24.832 38.131 12.928 1.00 0.00 C ATOM 96 CD LYS A 6 23.495 38.494 13.577 1.00 0.00 C ATOM 97 CE LYS A 6 22.398 38.503 12.510 1.00 0.00 C ATOM 98 NZ LYS A 6 21.089 38.832 13.142 1.00 0.00 N1+ ATOM 0 H LYS A 6 26.645 35.753 13.520 1.00 0.00 H new ATOM 0 HA LYS A 6 27.418 38.367 12.443 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.697 37.431 14.785 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.015 39.121 14.447 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.069 38.844 12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.766 37.148 12.461 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.251 37.775 14.359 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.563 39.472 14.053 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.634 39.234 11.737 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.343 37.530 12.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.345 38.838 12.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.863 38.118 13.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.145 39.770 13.588 1.00 0.00 H new ATOM 181 N THR A 12 28.620 39.887 8.521 1.00 0.00 N ATOM 182 CA THR A 12 28.313 38.470 8.338 1.00 0.00 C ATOM 183 C THR A 12 29.430 37.778 7.565 1.00 0.00 C ATOM 184 O THR A 12 29.845 38.245 6.504 1.00 0.00 O ATOM 185 CB THR A 12 26.990 38.315 7.579 1.00 0.00 C ATOM 186 OG1 THR A 12 26.975 39.200 6.467 1.00 0.00 O ATOM 187 CG2 THR A 12 25.825 38.644 8.513 1.00 0.00 C ATOM 0 HA THR A 12 28.224 38.006 9.320 1.00 0.00 H new ATOM 0 HB THR A 12 26.891 37.289 7.225 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.526 39.986 6.667 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.884 38.534 7.974 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.837 37.963 9.364 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.922 39.670 8.868 1.00 0.00 H new ATOM 195 N THR A 13 29.914 36.660 8.108 1.00 0.00 N ATOM 196 CA THR A 13 30.992 35.895 7.470 1.00 0.00 C ATOM 197 C THR A 13 30.480 34.509 7.060 1.00 0.00 C ATOM 198 O THR A 13 30.187 33.667 7.908 1.00 0.00 O ATOM 199 CB THR A 13 32.182 35.790 8.449 1.00 0.00 C ATOM 200 OG1 THR A 13 32.991 36.950 8.319 1.00 0.00 O ATOM 201 CG2 THR A 13 33.037 34.548 8.158 1.00 0.00 C ATOM 0 H THR A 13 29.579 36.263 8.986 1.00 0.00 H new ATOM 0 HA THR A 13 31.328 36.403 6.566 1.00 0.00 H new ATOM 0 HB THR A 13 31.788 35.706 9.462 1.00 0.00 H new ATOM 0 HG1 THR A 13 33.748 36.892 8.939 1.00 0.00 H new ATOM 0 HG21 THR A 13 33.866 34.503 8.864 1.00 0.00 H new ATOM 0 HG22 THR A 13 32.424 33.652 8.261 1.00 0.00 H new ATOM 0 HG23 THR A 13 33.428 34.606 7.142 1.00 0.00 H new ATOM 209 N THR A 14 30.375 34.286 5.753 1.00 0.00 N ATOM 210 CA THR A 14 29.895 33.005 5.245 1.00 0.00 C ATOM 211 C THR A 14 30.944 31.916 5.444 1.00 0.00 C ATOM 212 O THR A 14 31.985 31.913 4.787 1.00 0.00 O ATOM 213 CB THR A 14 29.555 33.125 3.755 1.00 0.00 C ATOM 214 OG1 THR A 14 30.669 33.666 3.059 1.00 0.00 O ATOM 215 CG2 THR A 14 28.342 34.040 3.574 1.00 0.00 C ATOM 0 H THR A 14 30.613 34.968 5.033 1.00 0.00 H new ATOM 0 HA THR A 14 28.998 32.732 5.801 1.00 0.00 H new ATOM 0 HB THR A 14 29.321 32.138 3.356 1.00 0.00 H new ATOM 0 HG1 THR A 14 31.498 33.313 3.444 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.104 34.123 2.514 1.00 0.00 H new ATOM 0 HG22 THR A 14 27.488 33.621 4.106 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.569 35.029 3.973 1.00 0.00 H new ATOM 223 N LEU A 15 30.659 30.991 6.359 1.00 0.00 N ATOM 224 CA LEU A 15 31.577 29.888 6.649 1.00 0.00 C ATOM 225 C LEU A 15 31.152 28.629 5.901 1.00 0.00 C ATOM 226 O LEU A 15 29.962 28.350 5.764 1.00 0.00 O ATOM 227 CB LEU A 15 31.578 29.584 8.149 1.00 0.00 C ATOM 228 CG LEU A 15 31.992 30.825 8.948 1.00 0.00 C ATOM 229 CD1 LEU A 15 31.748 30.564 10.437 1.00 0.00 C ATOM 230 CD2 LEU A 15 33.483 31.131 8.722 1.00 0.00 C ATOM 0 H LEU A 15 29.802 30.982 6.912 1.00 0.00 H new ATOM 0 HA LEU A 15 32.575 30.187 6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.586 29.258 8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.264 28.763 8.359 1.00 0.00 H new ATOM 0 HG LEU A 15 31.402 31.679 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.040 31.442 11.013 1.00 0.00 H new ATOM 0 HD12 LEU A 15 30.691 30.357 10.602 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.340 29.707 10.758 1.00 0.00 H new ATOM 0 HD21 LEU A 15 33.764 32.015 9.295 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.082 30.281 9.048 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.660 31.314 7.662 1.00 0.00 H new ATOM 242 N GLU A 16 32.134 27.863 5.438 1.00 0.00 N ATOM 243 CA GLU A 16 31.851 26.621 4.725 1.00 0.00 C ATOM 244 C GLU A 16 31.635 25.496 5.730 1.00 0.00 C ATOM 245 O GLU A 16 32.534 25.158 6.500 1.00 0.00 O ATOM 246 CB GLU A 16 33.012 26.274 3.793 1.00 0.00 C ATOM 247 CG GLU A 16 33.084 27.309 2.670 1.00 0.00 C ATOM 248 CD GLU A 16 34.231 26.979 1.722 1.00 0.00 C ATOM 249 OE1 GLU A 16 34.879 25.967 1.937 1.00 0.00 O ATOM 250 OE2 GLU A 16 34.445 27.742 0.795 1.00 0.00 O1- ATOM 0 H GLU A 16 33.126 28.077 5.542 1.00 0.00 H new ATOM 0 HA GLU A 16 30.949 26.748 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.949 26.259 4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 16 32.873 25.277 3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.143 27.327 2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.226 28.304 3.091 1.00 0.00 H new ATOM 257 N VAL A 17 30.430 24.927 5.730 1.00 0.00 N ATOM 258 CA VAL A 17 30.096 23.845 6.660 1.00 0.00 C ATOM 259 C VAL A 17 29.217 22.800 5.984 1.00 0.00 C ATOM 260 O VAL A 17 28.618 23.056 4.941 1.00 0.00 O ATOM 261 CB VAL A 17 29.354 24.416 7.873 1.00 0.00 C ATOM 262 CG1 VAL A 17 30.236 25.449 8.576 1.00 0.00 C ATOM 263 CG2 VAL A 17 28.059 25.086 7.408 1.00 0.00 C ATOM 0 H VAL A 17 29.672 25.194 5.101 1.00 0.00 H new ATOM 0 HA VAL A 17 31.024 23.371 6.979 1.00 0.00 H new ATOM 0 HB VAL A 17 29.120 23.608 8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.706 25.854 9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.159 24.974 8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 17 30.472 26.257 7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.530 25.493 8.270 1.00 0.00 H new ATOM 0 HG22 VAL A 17 28.295 25.892 6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.428 24.351 6.909 1.00 0.00 H new ATOM 273 N GLU A 18 29.139 21.621 6.598 1.00 0.00 N ATOM 274 CA GLU A 18 28.323 20.528 6.069 1.00 0.00 C ATOM 275 C GLU A 18 27.714 19.727 7.225 1.00 0.00 C ATOM 276 O GLU A 18 28.306 19.650 8.301 1.00 0.00 O ATOM 277 CB GLU A 18 29.187 19.603 5.206 1.00 0.00 C ATOM 278 CG GLU A 18 29.487 20.279 3.867 1.00 0.00 C ATOM 279 CD GLU A 18 30.341 19.361 2.999 1.00 0.00 C ATOM 280 OE1 GLU A 18 31.522 19.241 3.282 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 29.803 18.793 2.063 1.00 0.00 O ATOM 0 H GLU A 18 29.631 21.397 7.463 1.00 0.00 H new ATOM 0 HA GLU A 18 27.523 20.947 5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.118 19.371 5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 18 28.671 18.658 5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 18 28.555 20.516 3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 18 30.007 21.222 4.035 1.00 0.00 H new ATOM 288 N PRO A 19 26.557 19.128 7.038 1.00 0.00 N ATOM 289 CA PRO A 19 25.897 18.326 8.108 1.00 0.00 C ATOM 290 C PRO A 19 26.899 17.498 8.915 1.00 0.00 C ATOM 291 O PRO A 19 26.872 17.503 10.146 1.00 0.00 O ATOM 292 CB PRO A 19 24.938 17.425 7.326 1.00 0.00 C ATOM 293 CG PRO A 19 24.550 18.229 6.124 1.00 0.00 C ATOM 294 CD PRO A 19 25.748 19.141 5.801 1.00 0.00 C ATOM 0 HA PRO A 19 25.399 18.952 8.849 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.420 16.491 7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 19 24.066 17.163 7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 19 24.319 17.578 5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 19 23.656 18.820 6.325 1.00 0.00 H new ATOM 0 HD2 PRO A 19 26.316 18.766 4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 19 25.423 20.150 5.548 1.00 0.00 H new ATOM 302 N SER A 20 27.778 16.789 8.214 1.00 0.00 N ATOM 303 CA SER A 20 28.780 15.960 8.875 1.00 0.00 C ATOM 304 C SER A 20 29.793 16.822 9.622 1.00 0.00 C ATOM 305 O SER A 20 30.340 16.405 10.643 1.00 0.00 O ATOM 306 CB SER A 20 29.508 15.097 7.842 1.00 0.00 C ATOM 307 OG SER A 20 29.963 15.923 6.779 1.00 0.00 O ATOM 0 H SER A 20 27.817 16.771 7.195 1.00 0.00 H new ATOM 0 HA SER A 20 28.270 15.319 9.594 1.00 0.00 H new ATOM 0 HB2 SER A 20 30.351 14.586 8.307 1.00 0.00 H new ATOM 0 HB3 SER A 20 28.839 14.326 7.459 1.00 0.00 H new ATOM 0 HG SER A 20 30.431 15.374 6.116 1.00 0.00 H new ATOM 313 N ASP A 21 30.044 18.022 9.106 1.00 0.00 N ATOM 314 CA ASP A 21 31.001 18.927 9.736 1.00 0.00 C ATOM 315 C ASP A 21 30.618 19.196 11.186 1.00 0.00 C ATOM 316 O ASP A 21 29.536 19.710 11.471 1.00 0.00 O ATOM 317 CB ASP A 21 31.060 20.248 8.968 1.00 0.00 C ATOM 318 CG ASP A 21 32.290 21.042 9.396 1.00 0.00 C ATOM 319 OD1 ASP A 21 33.374 20.484 9.357 1.00 0.00 O ATOM 320 OD2 ASP A 21 32.129 22.196 9.759 1.00 0.00 O1- ATOM 0 H ASP A 21 29.603 18.388 8.262 1.00 0.00 H new ATOM 0 HA ASP A 21 31.982 18.452 9.716 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.096 20.054 7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.157 20.829 9.157 1.00 0.00 H new ATOM 325 N THR A 22 31.518 18.846 12.097 1.00 0.00 N ATOM 326 CA THR A 22 31.276 19.052 13.519 1.00 0.00 C ATOM 327 C THR A 22 31.560 20.498 13.902 1.00 0.00 C ATOM 328 O THR A 22 32.191 21.240 13.149 1.00 0.00 O ATOM 329 CB THR A 22 32.164 18.118 14.344 1.00 0.00 C ATOM 330 OG1 THR A 22 33.526 18.483 14.168 1.00 0.00 O ATOM 331 CG2 THR A 22 31.956 16.675 13.881 1.00 0.00 C ATOM 0 H THR A 22 32.418 18.420 11.877 1.00 0.00 H new ATOM 0 HA THR A 22 30.229 18.830 13.727 1.00 0.00 H new ATOM 0 HB THR A 22 31.900 18.201 15.398 1.00 0.00 H new ATOM 0 HG1 THR A 22 34.096 17.887 14.697 1.00 0.00 H new ATOM 0 HG21 THR A 22 32.589 16.010 14.469 1.00 0.00 H new ATOM 0 HG22 THR A 22 30.911 16.396 14.017 1.00 0.00 H new ATOM 0 HG23 THR A 22 32.220 16.589 12.827 1.00 0.00 H new ATOM 339 N ILE A 23 31.086 20.890 15.076 1.00 0.00 N ATOM 340 CA ILE A 23 31.282 22.249 15.560 1.00 0.00 C ATOM 341 C ILE A 23 32.767 22.538 15.749 1.00 0.00 C ATOM 342 O ILE A 23 33.250 23.614 15.397 1.00 0.00 O ATOM 343 CB ILE A 23 30.547 22.423 16.888 1.00 0.00 C ATOM 344 CG1 ILE A 23 29.105 21.916 16.742 1.00 0.00 C ATOM 345 CG2 ILE A 23 30.539 23.902 17.283 1.00 0.00 C ATOM 346 CD1 ILE A 23 28.420 22.578 15.540 1.00 0.00 C ATOM 0 H ILE A 23 30.563 20.287 15.711 1.00 0.00 H new ATOM 0 HA ILE A 23 30.884 22.949 14.826 1.00 0.00 H new ATOM 0 HB ILE A 23 31.056 21.850 17.663 1.00 0.00 H new ATOM 0 HG12 ILE A 23 29.105 20.833 16.617 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.544 22.131 17.651 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.014 24.023 18.231 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.565 24.256 17.389 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.033 24.482 16.511 1.00 0.00 H new ATOM 0 HD11 ILE A 23 27.399 22.206 15.453 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.402 23.659 15.681 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.972 22.340 14.630 1.00 0.00 H new ATOM 358 N GLU A 24 33.487 21.568 16.303 1.00 0.00 N ATOM 359 CA GLU A 24 34.919 21.725 16.531 1.00 0.00 C ATOM 360 C GLU A 24 35.590 22.333 15.301 1.00 0.00 C ATOM 361 O GLU A 24 36.412 23.241 15.414 1.00 0.00 O ATOM 362 CB GLU A 24 35.546 20.363 16.838 1.00 0.00 C ATOM 363 CG GLU A 24 37.009 20.546 17.246 1.00 0.00 C ATOM 364 CD GLU A 24 37.648 19.186 17.511 1.00 0.00 C ATOM 365 OE1 GLU A 24 36.910 18.235 17.707 1.00 0.00 O ATOM 366 OE2 GLU A 24 38.865 19.116 17.507 1.00 0.00 O1- ATOM 0 H GLU A 24 33.105 20.670 16.601 1.00 0.00 H new ATOM 0 HA GLU A 24 35.067 22.393 17.379 1.00 0.00 H new ATOM 0 HB2 GLU A 24 34.994 19.871 17.639 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.481 19.717 15.963 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.553 21.066 16.458 1.00 0.00 H new ATOM 0 HG3 GLU A 24 37.072 21.167 18.139 1.00 0.00 H new ATOM 373 N ASN A 25 35.229 21.822 14.127 1.00 0.00 N ATOM 374 CA ASN A 25 35.795 22.320 12.877 1.00 0.00 C ATOM 375 C ASN A 25 35.359 23.759 12.627 1.00 0.00 C ATOM 376 O ASN A 25 36.169 24.612 12.265 1.00 0.00 O ATOM 377 CB ASN A 25 35.338 21.440 11.712 1.00 0.00 C ATOM 378 CG ASN A 25 35.952 21.938 10.407 1.00 0.00 C ATOM 379 OD1 ASN A 25 36.394 23.083 10.322 1.00 0.00 O ATOM 380 ND2 ASN A 25 36.004 21.140 9.376 1.00 0.00 N ATOM 0 H ASN A 25 34.551 21.068 14.015 1.00 0.00 H new ATOM 0 HA ASN A 25 36.882 22.289 12.954 1.00 0.00 H new ATOM 0 HB2 ASN A 25 35.632 20.406 11.890 1.00 0.00 H new ATOM 0 HB3 ASN A 25 34.250 21.454 11.640 1.00 0.00 H new ATOM 0 HD21 ASN A 25 36.411 21.465 8.499 1.00 0.00 H new ATOM 0 HD22 ASN A 25 35.637 20.191 9.447 1.00 0.00 H new ATOM 387 N VAL A 26 34.069 24.018 12.812 1.00 0.00 N ATOM 388 CA VAL A 26 33.527 25.353 12.594 1.00 0.00 C ATOM 389 C VAL A 26 34.323 26.386 13.385 1.00 0.00 C ATOM 390 O VAL A 26 34.687 27.438 12.859 1.00 0.00 O ATOM 391 CB VAL A 26 32.058 25.391 13.014 1.00 0.00 C ATOM 392 CG1 VAL A 26 31.476 26.772 12.710 1.00 0.00 C ATOM 393 CG2 VAL A 26 31.282 24.327 12.233 1.00 0.00 C ATOM 0 H VAL A 26 33.383 23.325 13.111 1.00 0.00 H new ATOM 0 HA VAL A 26 33.603 25.594 11.534 1.00 0.00 H new ATOM 0 HB VAL A 26 31.978 25.192 14.083 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.428 26.799 13.009 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.031 27.530 13.262 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.553 26.972 11.641 1.00 0.00 H new ATOM 0 HG21 VAL A 26 30.233 24.351 12.530 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.362 24.529 11.165 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.698 23.343 12.448 1.00 0.00 H new ATOM 403 N LYS A 27 34.600 26.073 14.646 1.00 0.00 N ATOM 404 CA LYS A 27 35.366 26.980 15.494 1.00 0.00 C ATOM 405 C LYS A 27 36.784 27.122 14.952 1.00 0.00 C ATOM 406 O LYS A 27 37.383 28.194 15.028 1.00 0.00 O ATOM 407 CB LYS A 27 35.408 26.448 16.928 1.00 0.00 C ATOM 408 CG LYS A 27 34.015 26.560 17.550 1.00 0.00 C ATOM 409 CD LYS A 27 34.061 26.115 19.018 1.00 0.00 C ATOM 410 CE LYS A 27 34.320 24.606 19.111 1.00 0.00 C ATOM 411 NZ LYS A 27 33.866 24.108 20.441 1.00 0.00 N1+ ATOM 0 H LYS A 27 34.309 25.207 15.100 1.00 0.00 H new ATOM 0 HA LYS A 27 34.884 27.957 15.493 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.739 25.409 16.933 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.129 27.015 17.517 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.659 27.588 17.484 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.309 25.942 16.996 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.845 26.658 19.545 1.00 0.00 H new ATOM 0 HD3 LYS A 27 33.119 26.360 19.509 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.789 24.085 18.314 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.381 24.399 18.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.817 23.069 20.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.539 24.411 21.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.925 24.496 20.654 1.00 0.00 H new ATOM 425 N ALA A 28 37.310 26.035 14.392 1.00 0.00 N ATOM 426 CA ALA A 28 38.654 26.056 13.827 1.00 0.00 C ATOM 427 C ALA A 28 38.695 26.994 12.627 1.00 0.00 C ATOM 428 O ALA A 28 39.622 27.790 12.477 1.00 0.00 O ATOM 429 CB ALA A 28 39.066 24.647 13.397 1.00 0.00 C ATOM 0 H ALA A 28 36.831 25.138 14.318 1.00 0.00 H new ATOM 0 HA ALA A 28 39.351 26.412 14.586 1.00 0.00 H new ATOM 0 HB1 ALA A 28 40.071 24.674 12.976 1.00 0.00 H new ATOM 0 HB2 ALA A 28 39.052 23.984 14.262 1.00 0.00 H new ATOM 0 HB3 ALA A 28 38.368 24.277 12.646 1.00 0.00 H new ATOM 435 N LYS A 29 37.676 26.898 11.778 1.00 0.00 N ATOM 436 CA LYS A 29 37.594 27.752 10.600 1.00 0.00 C ATOM 437 C LYS A 29 37.496 29.210 11.029 1.00 0.00 C ATOM 438 O LYS A 29 38.126 30.088 10.439 1.00 0.00 O ATOM 439 CB LYS A 29 36.363 27.373 9.764 1.00 0.00 C ATOM 440 CG LYS A 29 36.589 26.024 9.053 1.00 0.00 C ATOM 441 CD LYS A 29 37.337 26.240 7.729 1.00 0.00 C ATOM 442 CE LYS A 29 37.517 24.896 7.019 1.00 0.00 C ATOM 443 NZ LYS A 29 38.539 25.037 5.943 1.00 0.00 N1+ ATOM 0 H LYS A 29 36.902 26.242 11.883 1.00 0.00 H new ATOM 0 HA LYS A 29 38.491 27.614 9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.485 27.310 10.407 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.163 28.151 9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.161 25.357 9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.631 25.540 8.863 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.780 26.928 7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 29 38.309 26.696 7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 29 37.828 24.134 7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.569 24.567 6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.662 24.124 5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.224 25.752 5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.444 25.333 6.361 1.00 0.00 H new ATOM 457 N ILE A 30 36.706 29.455 12.067 1.00 0.00 N ATOM 458 CA ILE A 30 36.529 30.805 12.586 1.00 0.00 C ATOM 459 C ILE A 30 37.850 31.334 13.140 1.00 0.00 C ATOM 460 O ILE A 30 38.223 32.477 12.886 1.00 0.00 O ATOM 461 CB ILE A 30 35.463 30.796 13.688 1.00 0.00 C ATOM 462 CG1 ILE A 30 34.090 30.532 13.060 1.00 0.00 C ATOM 463 CG2 ILE A 30 35.438 32.146 14.413 1.00 0.00 C ATOM 464 CD1 ILE A 30 33.081 30.168 14.153 1.00 0.00 C ATOM 0 H ILE A 30 36.179 28.738 12.565 1.00 0.00 H new ATOM 0 HA ILE A 30 36.204 31.459 11.777 1.00 0.00 H new ATOM 0 HB ILE A 30 35.701 30.012 14.407 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.751 31.416 12.519 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.162 29.722 12.334 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.677 32.126 15.193 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.413 32.336 14.862 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.207 32.938 13.700 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.107 29.981 13.701 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.417 29.272 14.674 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.000 30.992 14.862 1.00 0.00 H new ATOM 476 N GLN A 31 38.550 30.495 13.896 1.00 0.00 N ATOM 477 CA GLN A 31 39.828 30.891 14.480 1.00 0.00 C ATOM 478 C GLN A 31 40.806 31.323 13.392 1.00 0.00 C ATOM 479 O GLN A 31 41.805 31.986 13.670 1.00 0.00 O ATOM 480 CB GLN A 31 40.422 29.725 15.275 1.00 0.00 C ATOM 481 CG GLN A 31 41.793 30.126 15.823 1.00 0.00 C ATOM 482 CD GLN A 31 42.268 29.096 16.843 1.00 0.00 C ATOM 483 OE1 GLN A 31 41.476 28.287 17.327 1.00 0.00 O ATOM 484 NE2 GLN A 31 43.524 29.076 17.201 1.00 0.00 N ATOM 0 H GLN A 31 38.258 29.543 14.118 1.00 0.00 H new ATOM 0 HA GLN A 31 39.655 31.734 15.148 1.00 0.00 H new ATOM 0 HB2 GLN A 31 39.756 29.453 16.094 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.517 28.847 14.637 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.512 30.201 15.007 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.734 31.110 16.288 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.179 29.747 16.800 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.849 28.390 17.882 1.00 0.00 H new ATOM 493 N ASP A 32 40.511 30.946 12.151 1.00 0.00 N ATOM 494 CA ASP A 32 41.372 31.304 11.027 1.00 0.00 C ATOM 495 C ASP A 32 41.007 32.687 10.494 1.00 0.00 C ATOM 496 O ASP A 32 41.730 33.260 9.678 1.00 0.00 O ATOM 497 CB ASP A 32 41.223 30.274 9.906 1.00 0.00 C ATOM 498 CG ASP A 32 42.335 30.462 8.878 1.00 0.00 C ATOM 499 OD1 ASP A 32 43.412 30.880 9.271 1.00 0.00 O1- ATOM 500 OD2 ASP A 32 42.094 30.187 7.715 1.00 0.00 O ATOM 0 H ASP A 32 39.689 30.397 11.899 1.00 0.00 H new ATOM 0 HA ASP A 32 42.405 31.318 11.375 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.264 29.266 10.319 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.250 30.383 9.427 1.00 0.00 H new ATOM 505 N LYS A 33 39.878 33.218 10.964 1.00 0.00 N ATOM 506 CA LYS A 33 39.408 34.537 10.537 1.00 0.00 C ATOM 507 C LYS A 33 39.400 35.508 11.713 1.00 0.00 C ATOM 508 O LYS A 33 39.341 36.724 11.527 1.00 0.00 O ATOM 509 CB LYS A 33 37.998 34.414 9.960 1.00 0.00 C ATOM 510 CG LYS A 33 38.019 33.423 8.796 1.00 0.00 C ATOM 511 CD LYS A 33 36.639 33.368 8.139 1.00 0.00 C ATOM 512 CE LYS A 33 36.669 32.378 6.973 1.00 0.00 C ATOM 513 NZ LYS A 33 37.641 32.850 5.947 1.00 0.00 N1+ ATOM 0 H LYS A 33 39.271 32.755 11.641 1.00 0.00 H new ATOM 0 HA LYS A 33 40.084 34.921 9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.305 34.075 10.730 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.645 35.387 9.619 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.769 33.723 8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.301 32.433 9.154 1.00 0.00 H new ATOM 0 HD2 LYS A 33 35.889 33.064 8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.354 34.358 7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 33 36.952 31.388 7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 33 35.676 32.286 6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.441 32.384 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 37.554 33.880 5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.608 32.616 6.251 1.00 0.00 H new ATOM 527 N THR A 34 39.462 34.963 12.928 1.00 0.00 N ATOM 528 CA THR A 34 39.464 35.778 14.145 1.00 0.00 C ATOM 529 C THR A 34 40.817 35.675 14.846 1.00 0.00 C ATOM 530 O THR A 34 41.284 36.634 15.461 1.00 0.00 O ATOM 531 CB THR A 34 38.360 35.299 15.091 1.00 0.00 C ATOM 532 OG1 THR A 34 38.537 33.915 15.358 1.00 0.00 O ATOM 533 CG2 THR A 34 36.991 35.525 14.445 1.00 0.00 C ATOM 0 H THR A 34 39.512 33.958 13.097 1.00 0.00 H new ATOM 0 HA THR A 34 39.283 36.818 13.872 1.00 0.00 H new ATOM 0 HB THR A 34 38.413 35.861 16.023 1.00 0.00 H new ATOM 0 HG1 THR A 34 38.323 33.397 14.554 1.00 0.00 H new ATOM 0 HG21 THR A 34 36.208 35.183 15.122 1.00 0.00 H new ATOM 0 HG22 THR A 34 36.856 36.587 14.241 1.00 0.00 H new ATOM 0 HG23 THR A 34 36.933 34.966 13.511 1.00 0.00 H new ATOM 541 N GLY A 35 41.444 34.507 14.740 1.00 0.00 N ATOM 542 CA GLY A 35 42.749 34.289 15.360 1.00 0.00 C ATOM 543 C GLY A 35 42.629 34.147 16.874 1.00 0.00 C ATOM 544 O GLY A 35 43.635 34.121 17.585 1.00 0.00 O ATOM 0 H GLY A 35 41.074 33.702 14.235 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.206 33.391 14.944 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.410 35.122 15.122 1.00 0.00 H new ATOM 548 N LEU A 36 41.397 34.058 17.365 1.00 0.00 N ATOM 549 CA LEU A 36 41.166 33.923 18.801 1.00 0.00 C ATOM 550 C LEU A 36 41.398 32.472 19.253 1.00 0.00 C ATOM 551 O LEU A 36 40.873 31.547 18.632 1.00 0.00 O ATOM 552 CB LEU A 36 39.726 34.319 19.135 1.00 0.00 C ATOM 553 CG LEU A 36 39.509 35.814 18.864 1.00 0.00 C ATOM 554 CD1 LEU A 36 38.007 36.113 18.915 1.00 0.00 C ATOM 555 CD2 LEU A 36 40.245 36.668 19.918 1.00 0.00 C ATOM 0 H LEU A 36 40.550 34.077 16.797 1.00 0.00 H new ATOM 0 HA LEU A 36 41.865 34.578 19.321 1.00 0.00 H new ATOM 0 HB2 LEU A 36 39.031 33.729 18.537 1.00 0.00 H new ATOM 0 HB3 LEU A 36 39.514 34.097 20.181 1.00 0.00 H new ATOM 0 HG LEU A 36 39.908 36.063 17.880 1.00 0.00 H new ATOM 0 HD11 LEU A 36 37.840 37.173 18.724 1.00 0.00 H new ATOM 0 HD12 LEU A 36 37.492 35.522 18.157 1.00 0.00 H new ATOM 0 HD13 LEU A 36 37.618 35.857 19.901 1.00 0.00 H new ATOM 0 HD21 LEU A 36 40.080 37.725 19.710 1.00 0.00 H new ATOM 0 HD22 LEU A 36 39.863 36.430 20.911 1.00 0.00 H new ATOM 0 HD23 LEU A 36 41.313 36.453 19.879 1.00 0.00 H new ATOM 567 N PRO A 37 42.149 32.237 20.315 1.00 0.00 N ATOM 568 CA PRO A 37 42.395 30.852 20.815 1.00 0.00 C ATOM 569 C PRO A 37 41.119 30.003 20.768 1.00 0.00 C ATOM 570 O PRO A 37 40.013 30.545 20.782 1.00 0.00 O ATOM 571 CB PRO A 37 42.855 31.077 22.261 1.00 0.00 C ATOM 572 CG PRO A 37 43.525 32.414 22.252 1.00 0.00 C ATOM 573 CD PRO A 37 42.843 33.241 21.150 1.00 0.00 C ATOM 0 HA PRO A 37 43.123 30.308 20.213 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.011 31.064 22.950 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.542 30.294 22.583 1.00 0.00 H new ATOM 0 HG2 PRO A 37 43.426 32.903 23.221 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.592 32.311 22.055 1.00 0.00 H new ATOM 0 HD2 PRO A 37 42.142 33.962 21.570 1.00 0.00 H new ATOM 0 HD3 PRO A 37 43.571 33.806 20.569 1.00 0.00 H new ATOM 581 N PRO A 38 41.240 28.699 20.724 1.00 0.00 N ATOM 582 CA PRO A 38 40.053 27.796 20.687 1.00 0.00 C ATOM 583 C PRO A 38 39.190 27.963 21.940 1.00 0.00 C ATOM 584 O PRO A 38 37.966 27.849 21.884 1.00 0.00 O ATOM 585 CB PRO A 38 40.663 26.381 20.595 1.00 0.00 C ATOM 586 CG PRO A 38 42.069 26.528 21.087 1.00 0.00 C ATOM 587 CD PRO A 38 42.503 27.942 20.705 1.00 0.00 C ATOM 0 HA PRO A 38 39.386 28.011 19.853 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.104 25.671 21.205 1.00 0.00 H new ATOM 0 HB3 PRO A 38 40.641 26.008 19.571 1.00 0.00 H new ATOM 0 HG2 PRO A 38 42.122 26.382 22.166 1.00 0.00 H new ATOM 0 HG3 PRO A 38 42.722 25.783 20.632 1.00 0.00 H new ATOM 0 HD2 PRO A 38 43.226 28.347 21.414 1.00 0.00 H new ATOM 0 HD3 PRO A 38 42.973 27.967 19.722 1.00 0.00 H new ATOM 595 N ASP A 39 39.842 28.236 23.067 1.00 0.00 N ATOM 596 CA ASP A 39 39.132 28.420 24.328 1.00 0.00 C ATOM 597 C ASP A 39 38.538 29.825 24.415 1.00 0.00 C ATOM 598 O ASP A 39 37.863 30.160 25.388 1.00 0.00 O ATOM 599 CB ASP A 39 40.085 28.197 25.505 1.00 0.00 C ATOM 600 CG ASP A 39 41.309 29.096 25.361 1.00 0.00 C ATOM 601 OD1 ASP A 39 41.918 29.071 24.304 1.00 0.00 O1- ATOM 602 OD2 ASP A 39 41.619 29.795 26.312 1.00 0.00 O ATOM 0 H ASP A 39 40.855 28.334 23.132 1.00 0.00 H new ATOM 0 HA ASP A 39 38.322 27.692 24.371 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.574 28.412 26.443 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.393 27.152 25.542 1.00 0.00 H new ATOM 607 N GLN A 40 38.789 30.642 23.390 1.00 0.00 N ATOM 608 CA GLN A 40 38.267 32.013 23.353 1.00 0.00 C ATOM 609 C GLN A 40 37.144 32.126 22.328 1.00 0.00 C ATOM 610 O GLN A 40 36.719 33.227 21.978 1.00 0.00 O ATOM 611 CB GLN A 40 39.382 32.994 22.978 1.00 0.00 C ATOM 612 CG GLN A 40 40.362 33.132 24.141 1.00 0.00 C ATOM 613 CD GLN A 40 39.730 33.933 25.278 1.00 0.00 C ATOM 614 OE1 GLN A 40 40.342 34.102 26.332 1.00 0.00 O ATOM 615 NE2 GLN A 40 38.536 34.436 25.128 1.00 0.00 N ATOM 0 H GLN A 40 39.348 30.381 22.577 1.00 0.00 H new ATOM 0 HA GLN A 40 37.882 32.257 24.343 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.905 32.641 22.089 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.956 33.967 22.732 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.651 32.144 24.500 1.00 0.00 H new ATOM 0 HG3 GLN A 40 41.272 33.627 23.801 1.00 0.00 H new ATOM 0 HE21 GLN A 40 38.029 34.295 24.254 1.00 0.00 H new ATOM 0 HE22 GLN A 40 38.109 34.970 25.885 1.00 0.00 H new ATOM 624 N GLN A 41 36.669 30.978 21.847 1.00 0.00 N ATOM 625 CA GLN A 41 35.592 30.947 20.854 1.00 0.00 C ATOM 626 C GLN A 41 34.318 30.375 21.469 1.00 0.00 C ATOM 627 O GLN A 41 34.374 29.516 22.348 1.00 0.00 O ATOM 628 CB GLN A 41 36.018 30.082 19.661 1.00 0.00 C ATOM 629 CG GLN A 41 35.118 30.375 18.458 1.00 0.00 C ATOM 630 CD GLN A 41 35.430 31.757 17.898 1.00 0.00 C ATOM 631 OE1 GLN A 41 36.586 32.179 17.892 1.00 0.00 O ATOM 632 NE2 GLN A 41 34.463 32.494 17.421 1.00 0.00 N ATOM 0 H GLN A 41 37.011 30.059 22.127 1.00 0.00 H new ATOM 0 HA GLN A 41 35.395 31.965 20.518 1.00 0.00 H new ATOM 0 HB2 GLN A 41 37.058 30.285 19.406 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.955 29.026 19.925 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.269 29.619 17.688 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.071 30.322 18.755 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.505 32.144 17.426 1.00 0.00 H new ATOM 0 HE22 GLN A 41 34.666 33.420 17.043 1.00 0.00 H new ATOM 641 N ARG A 42 33.169 30.860 21.003 1.00 0.00 N ATOM 642 CA ARG A 42 31.883 30.391 21.513 1.00 0.00 C ATOM 643 C ARG A 42 30.807 30.518 20.439 1.00 0.00 C ATOM 644 O ARG A 42 30.716 31.537 19.754 1.00 0.00 O ATOM 645 CB ARG A 42 31.482 31.210 22.743 1.00 0.00 C ATOM 646 CG ARG A 42 30.209 30.622 23.355 1.00 0.00 C ATOM 647 CD ARG A 42 29.919 31.307 24.692 1.00 0.00 C ATOM 648 NE ARG A 42 30.915 30.926 25.687 1.00 0.00 N ATOM 649 CZ ARG A 42 30.908 31.462 26.904 1.00 0.00 C ATOM 650 NH1 ARG A 42 30.007 32.349 27.219 1.00 0.00 N ATOM 651 NH2 ARG A 42 31.804 31.101 27.782 1.00 0.00 N1+ ATOM 0 H ARG A 42 33.102 31.574 20.277 1.00 0.00 H new ATOM 0 HA ARG A 42 31.980 29.342 21.792 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.288 31.202 23.477 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.316 32.250 22.462 1.00 0.00 H new ATOM 0 HG2 ARG A 42 29.369 30.760 22.674 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.327 29.548 23.503 1.00 0.00 H new ATOM 0 HD2 ARG A 42 29.922 32.389 24.561 1.00 0.00 H new ATOM 0 HD3 ARG A 42 28.924 31.031 25.041 1.00 0.00 H new ATOM 0 HE ARG A 42 31.628 30.238 25.446 1.00 0.00 H new ATOM 0 HH11 ARG A 42 29.308 32.632 26.532 1.00 0.00 H new ATOM 0 HH12 ARG A 42 30.001 32.761 28.152 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.510 30.408 27.535 1.00 0.00 H new ATOM 0 HH22 ARG A 42 31.798 31.512 28.715 1.00 0.00 H new ATOM 665 N LEU A 43 29.995 29.470 20.292 1.00 0.00 N ATOM 666 CA LEU A 43 28.922 29.459 19.293 1.00 0.00 C ATOM 667 C LEU A 43 27.578 29.156 19.946 1.00 0.00 C ATOM 668 O LEU A 43 27.442 28.193 20.701 1.00 0.00 O ATOM 669 CB LEU A 43 29.217 28.400 18.227 1.00 0.00 C ATOM 670 CG LEU A 43 30.544 28.716 17.526 1.00 0.00 C ATOM 671 CD1 LEU A 43 30.885 27.576 16.562 1.00 0.00 C ATOM 672 CD2 LEU A 43 30.432 30.041 16.744 1.00 0.00 C ATOM 0 H LEU A 43 30.059 28.619 20.850 1.00 0.00 H new ATOM 0 HA LEU A 43 28.874 30.445 18.831 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.265 27.413 18.687 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.408 28.372 17.497 1.00 0.00 H new ATOM 0 HG LEU A 43 31.331 28.817 18.273 1.00 0.00 H new ATOM 0 HD11 LEU A 43 31.828 27.794 16.060 1.00 0.00 H new ATOM 0 HD12 LEU A 43 30.978 26.644 17.119 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.093 27.478 15.820 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.381 30.254 16.251 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.645 29.956 15.995 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.191 30.851 17.433 1.00 0.00 H new ATOM 684 N ILE A 44 26.583 29.985 19.637 1.00 0.00 N ATOM 685 CA ILE A 44 25.233 29.814 20.176 1.00 0.00 C ATOM 686 C ILE A 44 24.208 30.046 19.071 1.00 0.00 C ATOM 687 O ILE A 44 24.184 31.105 18.443 1.00 0.00 O ATOM 688 CB ILE A 44 24.996 30.803 21.329 1.00 0.00 C ATOM 689 CG1 ILE A 44 25.806 30.365 22.555 1.00 0.00 C ATOM 690 CG2 ILE A 44 23.506 30.841 21.691 1.00 0.00 C ATOM 691 CD1 ILE A 44 25.904 31.529 23.543 1.00 0.00 C ATOM 0 H ILE A 44 26.686 30.786 19.013 1.00 0.00 H new ATOM 0 HA ILE A 44 25.126 28.799 20.558 1.00 0.00 H new ATOM 0 HB ILE A 44 25.314 31.797 21.015 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.330 29.508 23.032 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.803 30.047 22.251 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.348 31.544 22.509 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.929 31.158 20.823 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.181 29.847 21.999 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.480 31.219 24.415 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.399 32.373 23.063 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.903 31.826 23.856 1.00 0.00 H new ATOM 703 N PHE A 45 23.363 29.043 18.838 1.00 0.00 N ATOM 704 CA PHE A 45 22.330 29.126 17.805 1.00 0.00 C ATOM 705 C PHE A 45 20.945 29.024 18.441 1.00 0.00 C ATOM 706 O PHE A 45 20.686 28.123 19.239 1.00 0.00 O ATOM 707 CB PHE A 45 22.521 27.985 16.805 1.00 0.00 C ATOM 708 CG PHE A 45 21.527 28.128 15.676 1.00 0.00 C ATOM 709 CD1 PHE A 45 21.669 29.162 14.742 1.00 0.00 C ATOM 710 CD2 PHE A 45 20.465 27.225 15.561 1.00 0.00 C ATOM 711 CE1 PHE A 45 20.746 29.290 13.696 1.00 0.00 C ATOM 712 CE2 PHE A 45 19.544 27.351 14.515 1.00 0.00 C ATOM 713 CZ PHE A 45 19.685 28.386 13.582 1.00 0.00 C ATOM 0 H PHE A 45 23.373 28.162 19.351 1.00 0.00 H new ATOM 0 HA PHE A 45 22.413 30.083 17.290 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.538 27.999 16.412 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.385 27.025 17.303 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.489 29.860 14.828 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.355 26.428 16.282 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.854 30.088 12.976 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.726 26.651 14.427 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.975 28.486 12.775 1.00 0.00 H new ATOM 723 N ALA A 46 20.063 29.953 18.089 1.00 0.00 N ATOM 724 CA ALA A 46 18.710 29.955 18.640 1.00 0.00 C ATOM 725 C ALA A 46 18.751 29.962 20.166 1.00 0.00 C ATOM 726 O ALA A 46 17.804 29.529 20.823 1.00 0.00 O ATOM 727 CB ALA A 46 17.944 28.722 18.155 1.00 0.00 C ATOM 0 H ALA A 46 20.256 30.708 17.431 1.00 0.00 H new ATOM 0 HA ALA A 46 18.202 30.856 18.297 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.937 28.733 18.571 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.887 28.734 17.067 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.462 27.820 18.481 1.00 0.00 H new ATOM 733 N GLY A 47 19.852 30.460 20.723 1.00 0.00 N ATOM 734 CA GLY A 47 20.007 30.523 22.175 1.00 0.00 C ATOM 735 C GLY A 47 20.591 29.226 22.722 1.00 0.00 C ATOM 736 O GLY A 47 21.058 29.176 23.859 1.00 0.00 O ATOM 0 H GLY A 47 20.646 30.824 20.196 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.657 31.357 22.438 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.039 30.714 22.639 1.00 0.00 H new ATOM 740 N LYS A 48 20.567 28.176 21.906 1.00 0.00 N ATOM 741 CA LYS A 48 21.103 26.885 22.326 1.00 0.00 C ATOM 742 C LYS A 48 22.622 26.881 22.200 1.00 0.00 C ATOM 743 O LYS A 48 23.170 27.309 21.184 1.00 0.00 O ATOM 744 CB LYS A 48 20.507 25.767 21.469 1.00 0.00 C ATOM 745 CG LYS A 48 19.003 25.676 21.731 1.00 0.00 C ATOM 746 CD LYS A 48 18.395 24.568 20.868 1.00 0.00 C ATOM 747 CE LYS A 48 16.886 24.507 21.111 1.00 0.00 C ATOM 748 NZ LYS A 48 16.245 25.730 20.551 1.00 0.00 N1+ ATOM 0 H LYS A 48 20.186 28.192 20.960 1.00 0.00 H new ATOM 0 HA LYS A 48 20.834 26.716 23.369 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.692 25.964 20.413 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.987 24.817 21.705 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.820 25.471 22.786 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.526 26.630 21.504 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.598 24.760 19.814 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.853 23.609 21.111 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.467 23.616 20.643 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.681 24.432 22.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.225 25.565 20.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.395 26.529 21.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.667 25.951 19.626 1.00 0.00 H new ATOM 762 N GLN A 49 23.298 26.404 23.241 1.00 0.00 N ATOM 763 CA GLN A 49 24.758 26.357 23.240 1.00 0.00 C ATOM 764 C GLN A 49 25.258 25.068 22.602 1.00 0.00 C ATOM 765 O GLN A 49 24.813 23.975 22.951 1.00 0.00 O ATOM 766 CB GLN A 49 25.285 26.455 24.673 1.00 0.00 C ATOM 767 CG GLN A 49 26.815 26.456 24.652 1.00 0.00 C ATOM 768 CD GLN A 49 27.356 26.732 26.051 1.00 0.00 C ATOM 769 OE1 GLN A 49 26.803 27.555 26.781 1.00 0.00 O ATOM 770 NE2 GLN A 49 28.407 26.084 26.472 1.00 0.00 N ATOM 0 H GLN A 49 22.862 26.047 24.091 1.00 0.00 H new ATOM 0 HA GLN A 49 25.126 27.201 22.657 1.00 0.00 H new ATOM 0 HB2 GLN A 49 24.916 27.365 25.147 1.00 0.00 H new ATOM 0 HB3 GLN A 49 24.919 25.616 25.265 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.183 25.494 24.294 1.00 0.00 H new ATOM 0 HG3 GLN A 49 27.177 27.214 23.957 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.863 25.403 25.865 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.773 26.259 27.408 1.00 0.00 H new ATOM 779 N LEU A 50 26.191 25.208 21.666 1.00 0.00 N ATOM 780 CA LEU A 50 26.760 24.054 20.978 1.00 0.00 C ATOM 781 C LEU A 50 27.926 23.481 21.776 1.00 0.00 C ATOM 782 O LEU A 50 28.622 24.208 22.486 1.00 0.00 O ATOM 783 CB LEU A 50 27.243 24.468 19.589 1.00 0.00 C ATOM 784 CG LEU A 50 26.215 25.396 18.943 1.00 0.00 C ATOM 785 CD1 LEU A 50 26.649 25.718 17.512 1.00 0.00 C ATOM 786 CD2 LEU A 50 24.847 24.708 18.920 1.00 0.00 C ATOM 0 H LEU A 50 26.569 26.107 21.367 1.00 0.00 H new ATOM 0 HA LEU A 50 25.990 23.289 20.882 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.207 24.972 19.664 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.392 23.585 18.967 1.00 0.00 H new ATOM 0 HG LEU A 50 26.146 26.319 19.519 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.917 26.380 17.050 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.622 26.209 17.529 1.00 0.00 H new ATOM 0 HD13 LEU A 50 26.718 24.795 16.936 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.114 25.370 18.459 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.914 23.785 18.345 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.538 24.479 19.940 1.00 0.00 H new ATOM 798 N GLU A 51 28.137 22.171 21.656 1.00 0.00 N ATOM 799 CA GLU A 51 29.226 21.501 22.371 1.00 0.00 C ATOM 800 C GLU A 51 29.892 20.459 21.476 1.00 0.00 C ATOM 801 O GLU A 51 29.220 19.755 20.722 1.00 0.00 O ATOM 802 CB GLU A 51 28.680 20.821 23.628 1.00 0.00 C ATOM 803 CG GLU A 51 28.153 21.881 24.599 1.00 0.00 C ATOM 804 CD GLU A 51 27.579 21.212 25.842 1.00 0.00 C ATOM 805 OE1 GLU A 51 27.522 19.994 25.862 1.00 0.00 O1- ATOM 806 OE2 GLU A 51 27.200 21.927 26.755 1.00 0.00 O ATOM 0 H GLU A 51 27.572 21.553 21.073 1.00 0.00 H new ATOM 0 HA GLU A 51 29.967 22.249 22.653 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.881 20.129 23.361 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.464 20.234 24.106 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.958 22.560 24.881 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.385 22.482 24.112 1.00 0.00 H new ATOM 813 N ASP A 52 31.215 20.368 21.566 1.00 0.00 N ATOM 814 CA ASP A 52 31.959 19.407 20.757 1.00 0.00 C ATOM 815 C ASP A 52 31.300 18.033 20.826 1.00 0.00 C ATOM 816 O ASP A 52 30.622 17.708 21.800 1.00 0.00 O ATOM 817 CB ASP A 52 33.401 19.308 21.258 1.00 0.00 C ATOM 818 CG ASP A 52 34.133 20.623 21.008 1.00 0.00 C ATOM 819 OD1 ASP A 52 34.011 21.146 19.912 1.00 0.00 O1- ATOM 820 OD2 ASP A 52 34.803 21.087 21.915 1.00 0.00 O ATOM 0 H ASP A 52 31.790 20.941 22.184 1.00 0.00 H new ATOM 0 HA ASP A 52 31.958 19.750 19.722 1.00 0.00 H new ATOM 0 HB2 ASP A 52 33.409 19.075 22.323 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.916 18.493 20.749 1.00 0.00 H new ATOM 825 N GLY A 53 31.501 17.233 19.784 1.00 0.00 N ATOM 826 CA GLY A 53 30.915 15.897 19.734 1.00 0.00 C ATOM 827 C GLY A 53 29.483 15.958 19.217 1.00 0.00 C ATOM 828 O GLY A 53 28.723 14.999 19.347 1.00 0.00 O ATOM 0 H GLY A 53 32.060 17.483 18.969 1.00 0.00 H new ATOM 0 HA2 GLY A 53 31.514 15.255 19.087 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.930 15.450 20.728 1.00 0.00 H new ATOM 832 N ARG A 54 29.121 17.099 18.630 1.00 0.00 N ATOM 833 CA ARG A 54 27.775 17.294 18.088 1.00 0.00 C ATOM 834 C ARG A 54 27.853 17.810 16.654 1.00 0.00 C ATOM 835 O ARG A 54 28.782 18.531 16.292 1.00 0.00 O ATOM 836 CB ARG A 54 27.013 18.306 18.950 1.00 0.00 C ATOM 837 CG ARG A 54 26.732 17.718 20.346 1.00 0.00 C ATOM 838 CD ARG A 54 25.431 16.904 20.326 1.00 0.00 C ATOM 839 NE ARG A 54 25.147 16.373 21.654 1.00 0.00 N ATOM 840 CZ ARG A 54 24.190 15.470 21.841 1.00 0.00 C ATOM 841 NH1 ARG A 54 23.484 15.049 20.827 1.00 0.00 N ATOM 842 NH2 ARG A 54 23.956 15.004 23.038 1.00 0.00 N1+ ATOM 0 H ARG A 54 29.740 17.902 18.517 1.00 0.00 H new ATOM 0 HA ARG A 54 27.252 16.338 18.096 1.00 0.00 H new ATOM 0 HB2 ARG A 54 27.594 19.223 19.045 1.00 0.00 H new ATOM 0 HB3 ARG A 54 26.074 18.573 18.465 1.00 0.00 H new ATOM 0 HG2 ARG A 54 27.562 17.083 20.655 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.656 18.522 21.078 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.605 17.533 19.994 1.00 0.00 H new ATOM 0 HD3 ARG A 54 25.516 16.086 19.610 1.00 0.00 H new ATOM 0 HE ARG A 54 25.692 16.700 22.452 1.00 0.00 H new ATOM 0 HH11 ARG A 54 23.667 15.413 19.892 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.749 14.356 20.970 1.00 0.00 H new ATOM 0 HH21 ARG A 54 24.508 15.333 23.830 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.221 14.311 23.181 1.00 0.00 H new ATOM 856 N THR A 55 26.867 17.435 15.841 1.00 0.00 N ATOM 857 CA THR A 55 26.819 17.859 14.440 1.00 0.00 C ATOM 858 C THR A 55 25.689 18.863 14.228 1.00 0.00 C ATOM 859 O THR A 55 24.894 19.114 15.132 1.00 0.00 O ATOM 860 CB THR A 55 26.590 16.640 13.541 1.00 0.00 C ATOM 861 OG1 THR A 55 25.447 15.930 13.995 1.00 0.00 O ATOM 862 CG2 THR A 55 27.816 15.728 13.596 1.00 0.00 C ATOM 0 H THR A 55 26.090 16.839 16.127 1.00 0.00 H new ATOM 0 HA THR A 55 27.767 18.332 14.185 1.00 0.00 H new ATOM 0 HB THR A 55 26.430 16.968 12.514 1.00 0.00 H new ATOM 0 HG1 THR A 55 24.766 15.921 13.290 1.00 0.00 H new ATOM 0 HG21 THR A 55 27.653 14.861 12.956 1.00 0.00 H new ATOM 0 HG22 THR A 55 28.692 16.275 13.249 1.00 0.00 H new ATOM 0 HG23 THR A 55 27.978 15.397 14.622 1.00 0.00 H new ATOM 870 N LEU A 56 25.619 19.432 13.029 1.00 0.00 N ATOM 871 CA LEU A 56 24.573 20.400 12.717 1.00 0.00 C ATOM 872 C LEU A 56 23.209 19.720 12.708 1.00 0.00 C ATOM 873 O LEU A 56 22.204 20.306 13.114 1.00 0.00 O ATOM 874 CB LEU A 56 24.827 21.027 11.349 1.00 0.00 C ATOM 875 CG LEU A 56 26.261 21.555 11.276 1.00 0.00 C ATOM 876 CD1 LEU A 56 26.496 22.187 9.901 1.00 0.00 C ATOM 877 CD2 LEU A 56 26.490 22.607 12.373 1.00 0.00 C ATOM 0 H LEU A 56 26.267 19.242 12.264 1.00 0.00 H new ATOM 0 HA LEU A 56 24.586 21.176 13.482 1.00 0.00 H new ATOM 0 HB2 LEU A 56 24.662 20.288 10.565 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.122 21.840 11.175 1.00 0.00 H new ATOM 0 HG LEU A 56 26.958 20.730 11.426 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.517 22.565 9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.343 21.437 9.125 1.00 0.00 H new ATOM 0 HD13 LEU A 56 25.796 23.009 9.754 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.513 22.978 12.314 1.00 0.00 H new ATOM 0 HD22 LEU A 56 25.795 23.435 12.233 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.324 22.155 13.351 1.00 0.00 H new ATOM 889 N SER A 57 23.186 18.481 12.235 1.00 0.00 N ATOM 890 CA SER A 57 21.946 17.716 12.163 1.00 0.00 C ATOM 891 C SER A 57 21.361 17.485 13.555 1.00 0.00 C ATOM 892 O SER A 57 20.185 17.149 13.693 1.00 0.00 O ATOM 893 CB SER A 57 22.201 16.367 11.488 1.00 0.00 C ATOM 894 OG SER A 57 23.177 15.646 12.229 1.00 0.00 O ATOM 0 H SER A 57 24.010 17.984 11.896 1.00 0.00 H new ATOM 0 HA SER A 57 21.230 18.291 11.576 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.275 15.795 11.432 1.00 0.00 H new ATOM 0 HB3 SER A 57 22.544 16.519 10.465 1.00 0.00 H new ATOM 0 HG SER A 57 23.341 14.781 11.799 1.00 0.00 H new ATOM 900 N ASP A 58 22.183 17.675 14.584 1.00 0.00 N ATOM 901 CA ASP A 58 21.725 17.490 15.961 1.00 0.00 C ATOM 902 C ASP A 58 21.059 18.761 16.469 1.00 0.00 C ATOM 903 O ASP A 58 20.029 18.712 17.141 1.00 0.00 O ATOM 904 CB ASP A 58 22.906 17.136 16.869 1.00 0.00 C ATOM 905 CG ASP A 58 23.372 15.712 16.592 1.00 0.00 C ATOM 906 OD1 ASP A 58 22.632 14.979 15.956 1.00 0.00 O1- ATOM 907 OD2 ASP A 58 24.463 15.373 17.021 1.00 0.00 O ATOM 0 H ASP A 58 23.160 17.954 14.494 1.00 0.00 H new ATOM 0 HA ASP A 58 21.002 16.674 15.977 1.00 0.00 H new ATOM 0 HB2 ASP A 58 23.726 17.834 16.701 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.613 17.234 17.914 1.00 0.00 H new ATOM 912 N TYR A 59 21.656 19.901 16.138 1.00 0.00 N ATOM 913 CA TYR A 59 21.119 21.191 16.559 1.00 0.00 C ATOM 914 C TYR A 59 20.033 21.655 15.593 1.00 0.00 C ATOM 915 O TYR A 59 19.404 22.691 15.803 1.00 0.00 O ATOM 916 CB TYR A 59 22.238 22.232 16.587 1.00 0.00 C ATOM 917 CG TYR A 59 23.311 21.820 17.569 1.00 0.00 C ATOM 918 CD1 TYR A 59 23.053 21.856 18.946 1.00 0.00 C ATOM 919 CD2 TYR A 59 24.570 21.418 17.105 1.00 0.00 C ATOM 920 CE1 TYR A 59 24.053 21.487 19.854 1.00 0.00 C ATOM 921 CE2 TYR A 59 25.568 21.053 18.013 1.00 0.00 C ATOM 922 CZ TYR A 59 25.310 21.086 19.388 1.00 0.00 C ATOM 923 OH TYR A 59 26.296 20.726 20.283 1.00 0.00 O ATOM 0 H TYR A 59 22.509 19.959 15.582 1.00 0.00 H new ATOM 0 HA TYR A 59 20.691 21.079 17.555 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.668 22.341 15.591 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.833 23.204 16.867 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.084 22.168 19.306 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.770 21.390 16.044 1.00 0.00 H new ATOM 0 HE1 TYR A 59 23.854 21.512 20.915 1.00 0.00 H new ATOM 0 HE2 TYR A 59 26.539 20.745 17.653 1.00 0.00 H new ATOM 0 HH TYR A 59 25.898 20.576 21.166 1.00 0.00 H new ATOM 933 N ASN A 60 19.831 20.884 14.529 1.00 0.00 N ATOM 934 CA ASN A 60 18.827 21.222 13.524 1.00 0.00 C ATOM 935 C ASN A 60 19.213 22.513 12.804 1.00 0.00 C ATOM 936 O ASN A 60 18.355 23.227 12.285 1.00 0.00 O ATOM 937 CB ASN A 60 17.452 21.386 14.181 1.00 0.00 C ATOM 938 CG ASN A 60 16.349 21.261 13.132 1.00 0.00 C ATOM 939 OD1 ASN A 60 16.619 21.342 11.934 1.00 0.00 O ATOM 940 ND2 ASN A 60 15.116 21.069 13.514 1.00 0.00 N ATOM 0 H ASN A 60 20.346 20.024 14.340 1.00 0.00 H new ATOM 0 HA ASN A 60 18.778 20.411 12.797 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.317 20.629 14.953 1.00 0.00 H new ATOM 0 HB3 ASN A 60 17.389 22.357 14.672 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.374 20.986 12.819 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.894 21.002 14.507 1.00 0.00 H new ATOM 947 N ILE A 61 20.510 22.799 12.777 1.00 0.00 N ATOM 948 CA ILE A 61 21.012 23.998 12.118 1.00 0.00 C ATOM 949 C ILE A 61 20.961 23.833 10.599 1.00 0.00 C ATOM 950 O ILE A 61 21.429 22.833 10.056 1.00 0.00 O ATOM 951 CB ILE A 61 22.451 24.264 12.587 1.00 0.00 C ATOM 952 CG1 ILE A 61 22.413 24.811 14.015 1.00 0.00 C ATOM 953 CG2 ILE A 61 23.132 25.287 11.673 1.00 0.00 C ATOM 954 CD1 ILE A 61 23.819 24.795 14.616 1.00 0.00 C ATOM 0 H ILE A 61 21.232 22.218 13.203 1.00 0.00 H new ATOM 0 HA ILE A 61 20.385 24.849 12.383 1.00 0.00 H new ATOM 0 HB ILE A 61 23.016 23.332 12.552 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.020 25.828 14.014 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.740 24.210 14.626 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.150 25.464 12.020 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.157 24.904 10.653 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.574 26.223 11.695 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.784 25.186 15.633 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.196 23.772 14.633 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.480 25.415 14.011 1.00 0.00 H new ATOM 966 N GLN A 62 20.382 24.828 9.924 1.00 0.00 N ATOM 967 CA GLN A 62 20.260 24.804 8.464 1.00 0.00 C ATOM 968 C GLN A 62 21.132 25.890 7.836 1.00 0.00 C ATOM 969 O GLN A 62 22.055 26.400 8.471 1.00 0.00 O ATOM 970 CB GLN A 62 18.800 25.027 8.064 1.00 0.00 C ATOM 971 CG GLN A 62 17.920 23.970 8.736 1.00 0.00 C ATOM 972 CD GLN A 62 16.527 23.980 8.115 1.00 0.00 C ATOM 973 OE1 GLN A 62 16.269 24.737 7.179 1.00 0.00 O ATOM 974 NE2 GLN A 62 15.609 23.178 8.579 1.00 0.00 N ATOM 0 H GLN A 62 19.990 25.660 10.364 1.00 0.00 H new ATOM 0 HA GLN A 62 20.594 23.831 8.103 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.479 26.025 8.361 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.695 24.968 6.981 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.371 22.984 8.623 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.852 24.168 9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.824 22.551 9.354 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.676 23.178 8.166 1.00 0.00 H new ATOM 983 N LYS A 63 20.834 26.237 6.586 1.00 0.00 N ATOM 984 CA LYS A 63 21.603 27.261 5.885 1.00 0.00 C ATOM 985 C LYS A 63 21.250 28.653 6.404 1.00 0.00 C ATOM 986 O LYS A 63 20.154 28.879 6.917 1.00 0.00 O ATOM 987 CB LYS A 63 21.322 27.190 4.376 1.00 0.00 C ATOM 988 CG LYS A 63 22.476 27.836 3.598 1.00 0.00 C ATOM 989 CD LYS A 63 22.213 27.715 2.094 1.00 0.00 C ATOM 990 CE LYS A 63 23.380 28.332 1.318 1.00 0.00 C ATOM 991 NZ LYS A 63 23.061 28.339 -0.139 1.00 0.00 N1+ ATOM 0 H LYS A 63 20.073 25.829 6.043 1.00 0.00 H new ATOM 0 HA LYS A 63 22.662 27.076 6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.201 26.151 4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.387 27.701 4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.574 28.885 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 63 23.417 27.349 3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 63 22.093 26.667 1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.283 28.221 1.835 1.00 0.00 H new ATOM 0 HE2 LYS A 63 23.565 29.349 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.292 27.763 1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.854 28.758 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.906 27.364 -0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 22.201 28.900 -0.303 1.00 0.00 H new ATOM 1005 N GLU A 64 22.187 29.581 6.254 1.00 0.00 N ATOM 1006 CA GLU A 64 21.975 30.956 6.696 1.00 0.00 C ATOM 1007 C GLU A 64 21.604 31.012 8.174 1.00 0.00 C ATOM 1008 O GLU A 64 20.866 31.902 8.600 1.00 0.00 O ATOM 1009 CB GLU A 64 20.864 31.604 5.865 1.00 0.00 C ATOM 1010 CG GLU A 64 21.038 31.230 4.388 1.00 0.00 C ATOM 1011 CD GLU A 64 20.256 32.198 3.505 1.00 0.00 C ATOM 1012 OE1 GLU A 64 19.619 33.084 4.050 1.00 0.00 O ATOM 1013 OE2 GLU A 64 20.309 32.040 2.296 1.00 0.00 O1- ATOM 0 H GLU A 64 23.099 29.409 5.831 1.00 0.00 H new ATOM 0 HA GLU A 64 22.908 31.502 6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.889 31.272 6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.894 32.687 5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.094 31.255 4.121 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.690 30.211 4.220 1.00 0.00 H new ATOM 1020 N SER A 65 22.123 30.073 8.956 1.00 0.00 N ATOM 1021 CA SER A 65 21.836 30.053 10.385 1.00 0.00 C ATOM 1022 C SER A 65 22.632 31.155 11.084 1.00 0.00 C ATOM 1023 O SER A 65 23.836 31.293 10.871 1.00 0.00 O ATOM 1024 CB SER A 65 22.184 28.674 10.964 1.00 0.00 C ATOM 1025 OG SER A 65 21.005 27.880 11.003 1.00 0.00 O ATOM 0 H SER A 65 22.736 29.325 8.631 1.00 0.00 H new ATOM 0 HA SER A 65 20.774 30.237 10.549 1.00 0.00 H new ATOM 0 HB2 SER A 65 22.945 28.189 10.352 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.600 28.780 11.966 1.00 0.00 H new ATOM 0 HG SER A 65 20.416 28.204 11.716 1.00 0.00 H new ATOM 1031 N THR A 66 21.947 31.951 11.903 1.00 0.00 N ATOM 1032 CA THR A 66 22.598 33.050 12.612 1.00 0.00 C ATOM 1033 C THR A 66 23.242 32.565 13.905 1.00 0.00 C ATOM 1034 O THR A 66 22.557 32.179 14.851 1.00 0.00 O ATOM 1035 CB THR A 66 21.569 34.148 12.919 1.00 0.00 C ATOM 1036 OG1 THR A 66 21.221 34.811 11.711 1.00 0.00 O ATOM 1037 CG2 THR A 66 22.154 35.160 13.909 1.00 0.00 C ATOM 0 H THR A 66 20.949 31.857 12.091 1.00 0.00 H new ATOM 0 HA THR A 66 23.384 33.453 11.973 1.00 0.00 H new ATOM 0 HB THR A 66 20.682 33.695 13.362 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.563 35.512 11.900 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.415 35.933 14.118 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.419 34.651 14.836 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.045 35.617 13.478 1.00 0.00 H new ATOM 1045 N LEU A 67 24.568 32.613 13.936 1.00 0.00 N ATOM 1046 CA LEU A 67 25.326 32.195 15.109 1.00 0.00 C ATOM 1047 C LEU A 67 25.604 33.405 15.997 1.00 0.00 C ATOM 1048 O LEU A 67 24.991 34.460 15.832 1.00 0.00 O ATOM 1049 CB LEU A 67 26.659 31.576 14.669 1.00 0.00 C ATOM 1050 CG LEU A 67 26.431 30.227 13.963 1.00 0.00 C ATOM 1051 CD1 LEU A 67 25.811 29.209 14.938 1.00 0.00 C ATOM 1052 CD2 LEU A 67 25.506 30.416 12.745 1.00 0.00 C ATOM 0 H LEU A 67 25.143 32.939 13.159 1.00 0.00 H new ATOM 0 HA LEU A 67 24.747 31.458 15.665 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.178 32.260 13.997 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.302 31.433 15.537 1.00 0.00 H new ATOM 0 HG LEU A 67 27.394 29.846 13.623 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.656 28.261 14.424 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.483 29.058 15.783 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.854 29.587 15.299 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.351 29.456 12.253 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.546 30.813 13.075 1.00 0.00 H new ATOM 0 HD23 LEU A 67 25.965 31.113 12.044 1.00 0.00 H new ATOM 1064 N HIS A 68 26.536 33.252 16.933 1.00 0.00 N ATOM 1065 CA HIS A 68 26.892 34.346 17.833 1.00 0.00 C ATOM 1066 C HIS A 68 28.322 34.183 18.333 1.00 0.00 C ATOM 1067 O HIS A 68 28.638 33.228 19.043 1.00 0.00 O ATOM 1068 CB HIS A 68 25.935 34.382 19.029 1.00 0.00 C ATOM 1069 CG HIS A 68 24.599 34.919 18.596 1.00 0.00 C ATOM 1070 ND1 HIS A 68 24.404 36.257 18.298 1.00 0.00 N ATOM 1071 CD2 HIS A 68 23.383 34.313 18.412 1.00 0.00 C ATOM 1072 CE1 HIS A 68 23.114 36.413 17.953 1.00 0.00 C ATOM 1073 NE2 HIS A 68 22.445 35.258 18.006 1.00 0.00 N ATOM 0 H HIS A 68 27.056 32.388 17.088 1.00 0.00 H new ATOM 0 HA HIS A 68 26.813 35.282 17.279 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.818 33.381 19.443 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.350 35.007 19.820 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.183 33.262 18.560 1.00 0.00 H new ATOM 0 HE1 HIS A 68 22.673 37.357 17.668 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.459 35.102 17.795 1.00 0.00 H new ATOM 1081 N ILE A 69 29.180 35.130 17.962 1.00 0.00 N ATOM 1082 CA ILE A 69 30.582 35.104 18.379 1.00 0.00 C ATOM 1083 C ILE A 69 30.819 36.149 19.464 1.00 0.00 C ATOM 1084 O ILE A 69 30.745 37.350 19.204 1.00 0.00 O ATOM 1085 CB ILE A 69 31.487 35.399 17.181 1.00 0.00 C ATOM 1086 CG1 ILE A 69 31.352 34.277 16.149 1.00 0.00 C ATOM 1087 CG2 ILE A 69 32.942 35.488 17.645 1.00 0.00 C ATOM 1088 CD1 ILE A 69 31.971 34.725 14.822 1.00 0.00 C ATOM 0 H ILE A 69 28.931 35.925 17.374 1.00 0.00 H new ATOM 0 HA ILE A 69 30.816 34.115 18.773 1.00 0.00 H new ATOM 0 HB ILE A 69 31.191 36.347 16.731 1.00 0.00 H new ATOM 0 HG12 ILE A 69 31.849 33.376 16.509 1.00 0.00 H new ATOM 0 HG13 ILE A 69 30.301 34.025 16.005 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.584 35.698 16.790 1.00 0.00 H new ATOM 0 HG22 ILE A 69 33.042 36.288 18.379 1.00 0.00 H new ATOM 0 HG23 ILE A 69 33.238 34.542 18.097 1.00 0.00 H new ATOM 0 HD11 ILE A 69 31.875 33.926 14.087 1.00 0.00 H new ATOM 0 HD12 ILE A 69 31.454 35.614 14.461 1.00 0.00 H new ATOM 0 HD13 ILE A 69 33.026 34.955 14.972 1.00 0.00 H new ATOM 1100 N VAL A 70 31.110 35.686 20.679 1.00 0.00 N ATOM 1101 CA VAL A 70 31.365 36.587 21.808 1.00 0.00 C ATOM 1102 C VAL A 70 32.779 36.384 22.330 1.00 0.00 C ATOM 1103 O VAL A 70 33.268 35.256 22.406 1.00 0.00 O ATOM 1104 CB VAL A 70 30.359 36.323 22.930 1.00 0.00 C ATOM 1105 CG1 VAL A 70 28.970 36.783 22.488 1.00 0.00 C ATOM 1106 CG2 VAL A 70 30.322 34.827 23.249 1.00 0.00 C ATOM 0 H VAL A 70 31.176 34.694 20.909 1.00 0.00 H new ATOM 0 HA VAL A 70 31.255 37.616 21.465 1.00 0.00 H new ATOM 0 HB VAL A 70 30.660 36.875 23.821 1.00 0.00 H new ATOM 0 HG11 VAL A 70 28.253 36.595 23.287 1.00 0.00 H new ATOM 0 HG12 VAL A 70 28.994 37.850 22.265 1.00 0.00 H new ATOM 0 HG13 VAL A 70 28.671 36.233 21.596 1.00 0.00 H new ATOM 0 HG21 VAL A 70 29.604 34.643 24.049 1.00 0.00 H new ATOM 0 HG22 VAL A 70 30.024 34.273 22.359 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.311 34.498 23.567 1.00 0.00 H new