USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=17 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 55 THR OG1 : rot 117:sc= 0.331 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.305 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.0999 (180deg=-0.3) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.325 F(o=-1,f=-0.32) USER MOD Single : A 12 THR OG1 : rot 22:sc= 0.317 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0286 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.14! C(o=-2.1!,f=-6.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0128 K(o=-0.013,f=-1.2!) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= -0.0125 (180deg=-0.541) USER MOD Single : A 34 THR OG1 : rot -70:sc= -0.463 USER MOD Single : A 40 GLN : amide:sc= -0.472 K(o=-0.47,f=-3.6!) USER MOD Single : A 41 GLN : amide:sc= -0.68 K(o=-0.68,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= 0.237 F(o=-2.7!,f=0.24) USER MOD Single : A 59 TYR OH : rot 0:sc= 0.408 USER MOD Single : A 60 ASN : amide:sc= -0.643 X(o=-0.64,f=-0.33) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= -1.62 (180deg=-1.88) USER MOD Single : A 65 SER OG : rot -93:sc= 1.14 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -1.46 F(o=-2.7!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.729 24.595 1.601 1.00 0.00 N ATOM 2 CA MET A 1 24.966 24.830 2.859 1.00 0.00 C ATOM 3 C MET A 1 25.862 25.552 3.863 1.00 0.00 C ATOM 4 O MET A 1 26.342 24.951 4.823 1.00 0.00 O ATOM 5 CB MET A 1 24.503 23.479 3.425 1.00 0.00 C ATOM 6 CG MET A 1 23.331 23.680 4.396 1.00 0.00 C ATOM 7 SD MET A 1 23.919 24.489 5.905 1.00 0.00 S ATOM 8 CE MET A 1 24.604 23.014 6.700 1.00 0.00 C ATOM 0 H1 MET A 1 25.123 24.103 0.914 1.00 0.00 H new ATOM 0 H2 MET A 1 26.033 25.507 1.204 1.00 0.00 H new ATOM 0 H3 MET A 1 26.565 24.011 1.806 1.00 0.00 H new ATOM 0 HA MET A 1 24.091 25.449 2.660 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.200 22.821 2.611 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.330 22.990 3.939 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.556 24.286 3.926 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.879 22.718 4.640 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.867 23.246 7.732 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.862 22.215 6.685 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.495 22.691 6.162 1.00 0.00 H new ATOM 18 N GLN A 2 26.090 26.842 3.624 1.00 0.00 N ATOM 19 CA GLN A 2 26.940 27.647 4.507 1.00 0.00 C ATOM 20 C GLN A 2 26.111 28.296 5.613 1.00 0.00 C ATOM 21 O GLN A 2 24.917 28.028 5.745 1.00 0.00 O ATOM 22 CB GLN A 2 27.652 28.734 3.698 1.00 0.00 C ATOM 23 CG GLN A 2 26.650 29.440 2.781 1.00 0.00 C ATOM 24 CD GLN A 2 27.326 30.605 2.069 1.00 0.00 C ATOM 25 OE1 GLN A 2 28.627 30.626 1.962 1.00 0.00 O flip ATOM 26 NE2 GLN A 2 26.653 31.520 1.596 1.00 0.00 N flip ATOM 0 H GLN A 2 25.701 27.353 2.831 1.00 0.00 H new ATOM 0 HA GLN A 2 27.679 26.988 4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.114 29.456 4.371 1.00 0.00 H new ATOM 0 HB3 GLN A 2 28.453 28.293 3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.255 28.735 2.049 1.00 0.00 H new ATOM 0 HG3 GLN A 2 25.803 29.802 3.364 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.637 31.502 1.681 1.00 0.00 H new ATOM 0 HE22 GLN A 2 27.111 32.297 1.119 1.00 0.00 H new ATOM 35 N ILE A 3 26.756 29.156 6.401 1.00 0.00 N ATOM 36 CA ILE A 3 26.076 29.851 7.495 1.00 0.00 C ATOM 37 C ILE A 3 26.682 31.233 7.707 1.00 0.00 C ATOM 38 O ILE A 3 27.890 31.419 7.568 1.00 0.00 O ATOM 39 CB ILE A 3 26.198 29.049 8.791 1.00 0.00 C ATOM 40 CG1 ILE A 3 27.666 28.668 9.016 1.00 0.00 C ATOM 41 CG2 ILE A 3 25.337 27.789 8.697 1.00 0.00 C ATOM 42 CD1 ILE A 3 27.832 28.059 10.410 1.00 0.00 C ATOM 0 H ILE A 3 27.744 29.388 6.303 1.00 0.00 H new ATOM 0 HA ILE A 3 25.024 29.954 7.228 1.00 0.00 H new ATOM 0 HB ILE A 3 25.852 29.652 9.630 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.987 27.955 8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.300 29.549 8.915 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.425 27.218 9.622 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.295 28.071 8.542 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.676 27.178 7.860 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.876 27.789 10.567 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.528 28.786 11.163 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.210 27.168 10.494 1.00 0.00 H new ATOM 54 N PHE A 4 25.834 32.199 8.050 1.00 0.00 N ATOM 55 CA PHE A 4 26.291 33.570 8.285 1.00 0.00 C ATOM 56 C PHE A 4 26.480 33.827 9.779 1.00 0.00 C ATOM 57 O PHE A 4 25.539 33.723 10.565 1.00 0.00 O ATOM 58 CB PHE A 4 25.274 34.562 7.709 1.00 0.00 C ATOM 59 CG PHE A 4 24.771 34.107 6.344 1.00 0.00 C ATOM 60 CD1 PHE A 4 25.563 33.310 5.492 1.00 0.00 C ATOM 61 CD2 PHE A 4 23.494 34.505 5.923 1.00 0.00 C ATOM 62 CE1 PHE A 4 25.074 32.921 4.241 1.00 0.00 C ATOM 63 CE2 PHE A 4 23.011 34.110 4.670 1.00 0.00 C ATOM 64 CZ PHE A 4 23.800 33.321 3.829 1.00 0.00 C ATOM 0 H PHE A 4 24.831 32.061 8.172 1.00 0.00 H new ATOM 0 HA PHE A 4 27.251 33.706 7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.432 34.663 8.394 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.733 35.547 7.621 1.00 0.00 H new ATOM 0 HD1 PHE A 4 26.549 33.000 5.806 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.881 35.118 6.567 1.00 0.00 H new ATOM 0 HE1 PHE A 4 25.683 32.310 3.591 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.025 34.416 4.352 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.426 33.021 2.862 1.00 0.00 H new ATOM 74 N VAL A 5 27.713 34.168 10.156 1.00 0.00 N ATOM 75 CA VAL A 5 28.041 34.447 11.555 1.00 0.00 C ATOM 76 C VAL A 5 27.786 35.922 11.873 1.00 0.00 C ATOM 77 O VAL A 5 28.181 36.809 11.115 1.00 0.00 O ATOM 78 CB VAL A 5 29.522 34.097 11.831 1.00 0.00 C ATOM 79 CG1 VAL A 5 29.651 32.621 12.239 1.00 0.00 C ATOM 80 CG2 VAL A 5 30.347 34.350 10.567 1.00 0.00 C ATOM 0 H VAL A 5 28.500 34.258 9.513 1.00 0.00 H new ATOM 0 HA VAL A 5 27.405 33.834 12.194 1.00 0.00 H new ATOM 0 HB VAL A 5 29.890 34.723 12.644 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.698 32.387 12.431 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.068 32.441 13.142 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.279 31.987 11.434 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.391 34.104 10.759 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.971 33.727 9.756 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.267 35.400 10.285 1.00 0.00 H new ATOM 90 N LYS A 6 27.128 36.171 13.005 1.00 0.00 N ATOM 91 CA LYS A 6 26.820 37.538 13.439 1.00 0.00 C ATOM 92 C LYS A 6 27.325 37.767 14.861 1.00 0.00 C ATOM 93 O LYS A 6 26.629 37.471 15.832 1.00 0.00 O ATOM 94 CB LYS A 6 25.308 37.769 13.389 1.00 0.00 C ATOM 95 CG LYS A 6 24.854 37.912 11.934 1.00 0.00 C ATOM 96 CD LYS A 6 23.334 38.111 11.894 1.00 0.00 C ATOM 97 CE LYS A 6 22.883 38.450 10.468 1.00 0.00 C ATOM 98 NZ LYS A 6 22.809 37.201 9.658 1.00 0.00 N1+ ATOM 0 H LYS A 6 26.797 35.445 13.640 1.00 0.00 H new ATOM 0 HA LYS A 6 27.317 38.239 12.769 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.788 36.936 13.862 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.049 38.667 13.950 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.356 38.759 11.466 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.131 37.024 11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.832 37.206 12.237 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.047 38.912 12.575 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.909 38.940 10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.582 39.151 10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.503 37.432 8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.746 36.752 9.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.126 36.547 10.090 1.00 0.00 H new ATOM 181 N THR A 12 29.227 40.673 9.113 1.00 0.00 N ATOM 182 CA THR A 12 28.725 39.327 8.862 1.00 0.00 C ATOM 183 C THR A 12 29.659 38.583 7.915 1.00 0.00 C ATOM 184 O THR A 12 30.160 39.152 6.947 1.00 0.00 O ATOM 185 CB THR A 12 27.321 39.398 8.252 1.00 0.00 C ATOM 186 OG1 THR A 12 26.537 40.325 8.991 1.00 0.00 O ATOM 187 CG2 THR A 12 26.658 38.017 8.303 1.00 0.00 C ATOM 0 HA THR A 12 28.679 38.789 9.809 1.00 0.00 H new ATOM 0 HB THR A 12 27.395 39.720 7.213 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.127 40.944 9.469 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.660 38.076 7.868 1.00 0.00 H new ATOM 0 HG22 THR A 12 27.259 37.304 7.738 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.583 37.688 9.339 1.00 0.00 H new ATOM 195 N THR A 13 29.895 37.305 8.207 1.00 0.00 N ATOM 196 CA THR A 13 30.780 36.477 7.384 1.00 0.00 C ATOM 197 C THR A 13 30.138 35.112 7.139 1.00 0.00 C ATOM 198 O THR A 13 29.387 34.612 7.971 1.00 0.00 O ATOM 199 CB THR A 13 32.135 36.323 8.097 1.00 0.00 C ATOM 200 OG1 THR A 13 32.884 37.517 7.926 1.00 0.00 O ATOM 201 CG2 THR A 13 32.923 35.143 7.519 1.00 0.00 C ATOM 0 H THR A 13 29.487 36.819 9.006 1.00 0.00 H new ATOM 0 HA THR A 13 30.941 36.955 6.418 1.00 0.00 H new ATOM 0 HB THR A 13 31.957 36.135 9.156 1.00 0.00 H new ATOM 0 HG1 THR A 13 33.749 37.428 8.379 1.00 0.00 H new ATOM 0 HG21 THR A 13 33.877 35.053 8.038 1.00 0.00 H new ATOM 0 HG22 THR A 13 32.351 34.224 7.650 1.00 0.00 H new ATOM 0 HG23 THR A 13 33.102 35.310 6.457 1.00 0.00 H new ATOM 209 N THR A 14 30.433 34.516 5.983 1.00 0.00 N ATOM 210 CA THR A 14 29.875 33.207 5.631 1.00 0.00 C ATOM 211 C THR A 14 30.927 32.115 5.809 1.00 0.00 C ATOM 212 O THR A 14 32.117 32.350 5.600 1.00 0.00 O ATOM 213 CB THR A 14 29.390 33.222 4.179 1.00 0.00 C ATOM 214 OG1 THR A 14 30.513 33.258 3.309 1.00 0.00 O ATOM 215 CG2 THR A 14 28.513 34.456 3.936 1.00 0.00 C ATOM 0 H THR A 14 31.052 34.915 5.277 1.00 0.00 H new ATOM 0 HA THR A 14 29.034 32.998 6.292 1.00 0.00 H new ATOM 0 HB THR A 14 28.804 32.324 3.984 1.00 0.00 H new ATOM 0 HG1 THR A 14 30.206 33.266 2.378 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.171 34.461 2.901 1.00 0.00 H new ATOM 0 HG22 THR A 14 27.651 34.427 4.603 1.00 0.00 H new ATOM 0 HG23 THR A 14 29.093 35.358 4.131 1.00 0.00 H new ATOM 223 N LEU A 15 30.481 30.919 6.203 1.00 0.00 N ATOM 224 CA LEU A 15 31.393 29.791 6.416 1.00 0.00 C ATOM 225 C LEU A 15 30.891 28.542 5.699 1.00 0.00 C ATOM 226 O LEU A 15 29.701 28.227 5.733 1.00 0.00 O ATOM 227 CB LEU A 15 31.503 29.494 7.917 1.00 0.00 C ATOM 228 CG LEU A 15 32.179 30.672 8.648 1.00 0.00 C ATOM 229 CD1 LEU A 15 31.756 30.682 10.120 1.00 0.00 C ATOM 230 CD2 LEU A 15 33.703 30.530 8.575 1.00 0.00 C ATOM 0 H LEU A 15 29.499 30.707 6.380 1.00 0.00 H new ATOM 0 HA LEU A 15 32.369 30.061 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.511 29.320 8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.079 28.582 8.073 1.00 0.00 H new ATOM 0 HG LEU A 15 31.873 31.601 8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.237 31.516 10.631 1.00 0.00 H new ATOM 0 HD12 LEU A 15 30.673 30.791 10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.056 29.746 10.591 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.172 31.366 9.094 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.004 29.595 9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.019 30.528 7.532 1.00 0.00 H new ATOM 242 N GLU A 16 31.814 27.825 5.062 1.00 0.00 N ATOM 243 CA GLU A 16 31.466 26.598 4.354 1.00 0.00 C ATOM 244 C GLU A 16 31.374 25.443 5.345 1.00 0.00 C ATOM 245 O GLU A 16 32.351 25.116 6.019 1.00 0.00 O ATOM 246 CB GLU A 16 32.528 26.284 3.294 1.00 0.00 C ATOM 247 CG GLU A 16 32.103 25.062 2.470 1.00 0.00 C ATOM 248 CD GLU A 16 33.204 24.698 1.480 1.00 0.00 C ATOM 249 OE1 GLU A 16 34.195 25.408 1.439 1.00 0.00 O1- ATOM 250 OE2 GLU A 16 33.042 23.712 0.778 1.00 0.00 O ATOM 0 H GLU A 16 32.803 28.072 5.022 1.00 0.00 H new ATOM 0 HA GLU A 16 30.502 26.732 3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.665 27.144 2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.488 26.093 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.902 24.219 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.177 25.276 1.936 1.00 0.00 H new ATOM 257 N VAL A 17 30.197 24.826 5.432 1.00 0.00 N ATOM 258 CA VAL A 17 29.990 23.704 6.350 1.00 0.00 C ATOM 259 C VAL A 17 29.101 22.644 5.706 1.00 0.00 C ATOM 260 O VAL A 17 28.473 22.887 4.677 1.00 0.00 O ATOM 261 CB VAL A 17 29.351 24.202 7.653 1.00 0.00 C ATOM 262 CG1 VAL A 17 30.141 25.400 8.186 1.00 0.00 C ATOM 263 CG2 VAL A 17 27.904 24.635 7.397 1.00 0.00 C ATOM 0 H VAL A 17 29.376 25.081 4.883 1.00 0.00 H new ATOM 0 HA VAL A 17 30.958 23.257 6.575 1.00 0.00 H new ATOM 0 HB VAL A 17 29.364 23.393 8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.686 25.753 9.112 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.171 25.100 8.379 1.00 0.00 H new ATOM 0 HG13 VAL A 17 30.129 26.201 7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.459 24.987 8.328 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.890 25.439 6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.332 23.788 7.019 1.00 0.00 H new ATOM 273 N GLU A 18 29.049 21.464 6.328 1.00 0.00 N ATOM 274 CA GLU A 18 28.229 20.361 5.822 1.00 0.00 C ATOM 275 C GLU A 18 27.510 19.670 6.988 1.00 0.00 C ATOM 276 O GLU A 18 28.034 19.639 8.099 1.00 0.00 O ATOM 277 CB GLU A 18 29.115 19.342 5.092 1.00 0.00 C ATOM 278 CG GLU A 18 29.818 20.013 3.903 1.00 0.00 C ATOM 279 CD GLU A 18 30.245 18.962 2.879 1.00 0.00 C ATOM 280 OE1 GLU A 18 30.824 17.968 3.284 1.00 0.00 O ATOM 281 OE2 GLU A 18 29.983 19.168 1.705 1.00 0.00 O1- ATOM 0 H GLU A 18 29.564 21.248 7.181 1.00 0.00 H new ATOM 0 HA GLU A 18 27.491 20.760 5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.856 18.933 5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 18 28.509 18.506 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 18 29.148 20.735 3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 18 30.690 20.566 4.252 1.00 0.00 H new ATOM 288 N PRO A 19 26.337 19.116 6.778 1.00 0.00 N ATOM 289 CA PRO A 19 25.590 18.429 7.871 1.00 0.00 C ATOM 290 C PRO A 19 26.505 17.567 8.744 1.00 0.00 C ATOM 291 O PRO A 19 26.271 17.412 9.941 1.00 0.00 O ATOM 292 CB PRO A 19 24.571 17.564 7.117 1.00 0.00 C ATOM 293 CG PRO A 19 24.314 18.288 5.831 1.00 0.00 C ATOM 294 CD PRO A 19 25.592 19.079 5.502 1.00 0.00 C ATOM 0 HA PRO A 19 25.130 19.134 8.563 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.963 16.564 6.934 1.00 0.00 H new ATOM 0 HB3 PRO A 19 23.653 17.446 7.692 1.00 0.00 H new ATOM 0 HG2 PRO A 19 24.078 17.585 5.032 1.00 0.00 H new ATOM 0 HG3 PRO A 19 23.459 18.958 5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 19 26.171 18.591 4.717 1.00 0.00 H new ATOM 0 HD3 PRO A 19 25.358 20.083 5.148 1.00 0.00 H new ATOM 302 N SER A 20 27.540 16.999 8.129 1.00 0.00 N ATOM 303 CA SER A 20 28.477 16.140 8.852 1.00 0.00 C ATOM 304 C SER A 20 29.545 16.957 9.578 1.00 0.00 C ATOM 305 O SER A 20 30.086 16.516 10.591 1.00 0.00 O ATOM 306 CB SER A 20 29.152 15.175 7.877 1.00 0.00 C ATOM 307 OG SER A 20 29.655 15.906 6.766 1.00 0.00 O ATOM 0 H SER A 20 27.751 17.116 7.138 1.00 0.00 H new ATOM 0 HA SER A 20 27.910 15.583 9.598 1.00 0.00 H new ATOM 0 HB2 SER A 20 29.963 14.644 8.375 1.00 0.00 H new ATOM 0 HB3 SER A 20 28.439 14.423 7.540 1.00 0.00 H new ATOM 0 HG SER A 20 30.090 15.291 6.139 1.00 0.00 H new ATOM 313 N ASP A 21 29.852 18.140 9.057 1.00 0.00 N ATOM 314 CA ASP A 21 30.868 18.987 9.678 1.00 0.00 C ATOM 315 C ASP A 21 30.548 19.223 11.148 1.00 0.00 C ATOM 316 O ASP A 21 29.474 19.721 11.488 1.00 0.00 O ATOM 317 CB ASP A 21 30.957 20.331 8.950 1.00 0.00 C ATOM 318 CG ASP A 21 31.639 20.149 7.597 1.00 0.00 C ATOM 319 OD1 ASP A 21 31.831 19.010 7.201 1.00 0.00 O1- ATOM 320 OD2 ASP A 21 31.959 21.150 6.979 1.00 0.00 O ATOM 0 H ASP A 21 29.421 18.531 8.220 1.00 0.00 H new ATOM 0 HA ASP A 21 31.827 18.474 9.605 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.958 20.745 8.810 1.00 0.00 H new ATOM 0 HB3 ASP A 21 31.516 21.045 9.555 1.00 0.00 H new ATOM 325 N THR A 22 31.490 18.865 12.013 1.00 0.00 N ATOM 326 CA THR A 22 31.305 19.043 13.447 1.00 0.00 C ATOM 327 C THR A 22 31.607 20.481 13.850 1.00 0.00 C ATOM 328 O THR A 22 32.222 21.232 13.093 1.00 0.00 O ATOM 329 CB THR A 22 32.225 18.091 14.212 1.00 0.00 C ATOM 330 OG1 THR A 22 33.580 18.405 13.918 1.00 0.00 O ATOM 331 CG2 THR A 22 31.930 16.652 13.789 1.00 0.00 C ATOM 0 H THR A 22 32.384 18.452 11.748 1.00 0.00 H new ATOM 0 HA THR A 22 30.267 18.820 13.693 1.00 0.00 H new ATOM 0 HB THR A 22 32.053 18.198 15.283 1.00 0.00 H new ATOM 0 HG1 THR A 22 34.171 17.797 14.409 1.00 0.00 H new ATOM 0 HG21 THR A 22 32.585 15.971 14.333 1.00 0.00 H new ATOM 0 HG22 THR A 22 30.891 16.413 14.013 1.00 0.00 H new ATOM 0 HG23 THR A 22 32.104 16.545 12.718 1.00 0.00 H new ATOM 339 N ILE A 23 31.164 20.859 15.043 1.00 0.00 N ATOM 340 CA ILE A 23 31.383 22.212 15.538 1.00 0.00 C ATOM 341 C ILE A 23 32.874 22.487 15.715 1.00 0.00 C ATOM 342 O ILE A 23 33.357 23.566 15.370 1.00 0.00 O ATOM 343 CB ILE A 23 30.658 22.397 16.873 1.00 0.00 C ATOM 344 CG1 ILE A 23 29.223 21.868 16.752 1.00 0.00 C ATOM 345 CG2 ILE A 23 30.633 23.882 17.251 1.00 0.00 C ATOM 346 CD1 ILE A 23 28.524 22.485 15.535 1.00 0.00 C ATOM 0 H ILE A 23 30.653 20.251 15.683 1.00 0.00 H new ATOM 0 HA ILE A 23 30.986 22.918 14.808 1.00 0.00 H new ATOM 0 HB ILE A 23 31.185 21.842 17.650 1.00 0.00 H new ATOM 0 HG12 ILE A 23 29.236 20.782 16.659 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.665 22.104 17.658 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.116 24.007 18.202 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.654 24.251 17.342 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.111 24.446 16.478 1.00 0.00 H new ATOM 0 HD11 ILE A 23 27.507 22.099 15.465 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.493 23.569 15.644 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.074 22.227 14.630 1.00 0.00 H new ATOM 358 N GLU A 24 33.601 21.512 16.255 1.00 0.00 N ATOM 359 CA GLU A 24 35.035 21.680 16.466 1.00 0.00 C ATOM 360 C GLU A 24 35.686 22.229 15.202 1.00 0.00 C ATOM 361 O GLU A 24 36.527 23.126 15.264 1.00 0.00 O ATOM 362 CB GLU A 24 35.680 20.343 16.841 1.00 0.00 C ATOM 363 CG GLU A 24 37.082 20.592 17.405 1.00 0.00 C ATOM 364 CD GLU A 24 37.699 19.278 17.874 1.00 0.00 C ATOM 365 OE1 GLU A 24 37.219 18.238 17.455 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 38.645 19.331 18.644 1.00 0.00 O ATOM 0 H GLU A 24 33.227 20.610 16.550 1.00 0.00 H new ATOM 0 HA GLU A 24 35.186 22.385 17.284 1.00 0.00 H new ATOM 0 HB2 GLU A 24 35.067 19.825 17.578 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.738 19.697 15.965 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.714 21.048 16.642 1.00 0.00 H new ATOM 0 HG3 GLU A 24 37.029 21.295 18.236 1.00 0.00 H new ATOM 373 N ASN A 25 35.284 21.692 14.054 1.00 0.00 N ATOM 374 CA ASN A 25 35.826 22.147 12.780 1.00 0.00 C ATOM 375 C ASN A 25 35.420 23.594 12.528 1.00 0.00 C ATOM 376 O ASN A 25 36.241 24.422 12.136 1.00 0.00 O ATOM 377 CB ASN A 25 35.304 21.258 11.647 1.00 0.00 C ATOM 378 CG ASN A 25 35.825 21.751 10.299 1.00 0.00 C ATOM 379 OD1 ASN A 25 35.954 22.955 10.078 1.00 0.00 O ATOM 380 ND2 ASN A 25 36.130 20.883 9.373 1.00 0.00 N ATOM 0 H ASN A 25 34.591 20.948 13.980 1.00 0.00 H new ATOM 0 HA ASN A 25 36.914 22.084 12.814 1.00 0.00 H new ATOM 0 HB2 ASN A 25 35.619 20.227 11.811 1.00 0.00 H new ATOM 0 HB3 ASN A 25 34.214 21.262 11.646 1.00 0.00 H new ATOM 0 HD21 ASN A 25 36.475 21.203 8.468 1.00 0.00 H new ATOM 0 HD22 ASN A 25 36.024 19.885 9.555 1.00 0.00 H new ATOM 387 N VAL A 26 34.144 23.888 12.751 1.00 0.00 N ATOM 388 CA VAL A 26 33.640 25.236 12.541 1.00 0.00 C ATOM 389 C VAL A 26 34.479 26.237 13.330 1.00 0.00 C ATOM 390 O VAL A 26 34.864 27.283 12.810 1.00 0.00 O ATOM 391 CB VAL A 26 32.178 25.326 12.986 1.00 0.00 C ATOM 392 CG1 VAL A 26 31.646 26.734 12.707 1.00 0.00 C ATOM 393 CG2 VAL A 26 31.338 24.298 12.214 1.00 0.00 C ATOM 0 H VAL A 26 33.447 23.217 13.074 1.00 0.00 H new ATOM 0 HA VAL A 26 33.705 25.473 11.479 1.00 0.00 H new ATOM 0 HB VAL A 26 32.112 25.116 14.054 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.605 26.799 13.024 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.239 27.463 13.259 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.714 26.944 11.640 1.00 0.00 H new ATOM 0 HG21 VAL A 26 30.298 24.365 12.533 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.404 24.503 11.146 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.715 23.295 12.415 1.00 0.00 H new ATOM 403 N LYS A 27 34.767 25.903 14.582 1.00 0.00 N ATOM 404 CA LYS A 27 35.571 26.776 15.429 1.00 0.00 C ATOM 405 C LYS A 27 36.986 26.903 14.870 1.00 0.00 C ATOM 406 O LYS A 27 37.600 27.965 14.954 1.00 0.00 O ATOM 407 CB LYS A 27 35.627 26.224 16.855 1.00 0.00 C ATOM 408 CG LYS A 27 34.230 26.271 17.478 1.00 0.00 C ATOM 409 CD LYS A 27 34.317 25.873 18.953 1.00 0.00 C ATOM 410 CE LYS A 27 32.924 25.925 19.581 1.00 0.00 C ATOM 411 NZ LYS A 27 33.030 25.657 21.043 1.00 0.00 N1+ ATOM 0 H LYS A 27 34.459 25.041 15.031 1.00 0.00 H new ATOM 0 HA LYS A 27 35.107 27.762 15.446 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.998 25.199 16.845 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.324 26.809 17.455 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.812 27.273 17.385 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.560 25.595 16.947 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.731 24.869 19.045 1.00 0.00 H new ATOM 0 HD3 LYS A 27 34.991 26.546 19.483 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.473 26.903 19.411 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.273 25.187 19.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.083 25.692 21.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 33.444 24.715 21.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.637 26.377 21.485 1.00 0.00 H new ATOM 425 N ALA A 28 37.496 25.816 14.294 1.00 0.00 N ATOM 426 CA ALA A 28 38.837 25.835 13.720 1.00 0.00 C ATOM 427 C ALA A 28 38.874 26.772 12.516 1.00 0.00 C ATOM 428 O ALA A 28 39.825 27.533 12.338 1.00 0.00 O ATOM 429 CB ALA A 28 39.250 24.425 13.290 1.00 0.00 C ATOM 0 H ALA A 28 37.008 24.924 14.213 1.00 0.00 H new ATOM 0 HA ALA A 28 39.536 26.193 14.476 1.00 0.00 H new ATOM 0 HB1 ALA A 28 40.253 24.454 12.863 1.00 0.00 H new ATOM 0 HB2 ALA A 28 39.243 23.764 14.156 1.00 0.00 H new ATOM 0 HB3 ALA A 28 38.549 24.052 12.544 1.00 0.00 H new ATOM 435 N LYS A 29 37.823 26.719 11.701 1.00 0.00 N ATOM 436 CA LYS A 29 37.738 27.579 10.527 1.00 0.00 C ATOM 437 C LYS A 29 37.675 29.036 10.963 1.00 0.00 C ATOM 438 O LYS A 29 38.327 29.903 10.382 1.00 0.00 O ATOM 439 CB LYS A 29 36.482 27.237 9.716 1.00 0.00 C ATOM 440 CG LYS A 29 36.642 25.867 9.034 1.00 0.00 C ATOM 441 CD LYS A 29 37.444 26.002 7.731 1.00 0.00 C ATOM 442 CE LYS A 29 37.354 24.694 6.946 1.00 0.00 C ATOM 443 NZ LYS A 29 38.255 24.765 5.762 1.00 0.00 N1+ ATOM 0 H LYS A 29 37.026 26.095 11.831 1.00 0.00 H new ATOM 0 HA LYS A 29 38.621 27.420 9.907 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.610 27.225 10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.306 28.006 8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.147 25.176 9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.660 25.444 8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.053 26.826 7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 29 38.485 26.235 7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 29 37.636 23.855 7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.327 24.519 6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.195 23.876 5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.966 25.556 5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.234 24.913 6.079 1.00 0.00 H new ATOM 457 N ILE A 30 36.882 29.290 11.996 1.00 0.00 N ATOM 458 CA ILE A 30 36.723 30.637 12.526 1.00 0.00 C ATOM 459 C ILE A 30 38.053 31.160 13.069 1.00 0.00 C ATOM 460 O ILE A 30 38.408 32.320 12.858 1.00 0.00 O ATOM 461 CB ILE A 30 35.668 30.625 13.640 1.00 0.00 C ATOM 462 CG1 ILE A 30 34.290 30.357 13.028 1.00 0.00 C ATOM 463 CG2 ILE A 30 35.647 31.973 14.360 1.00 0.00 C ATOM 464 CD1 ILE A 30 33.293 30.005 14.136 1.00 0.00 C ATOM 0 H ILE A 30 36.338 28.579 12.484 1.00 0.00 H new ATOM 0 HA ILE A 30 36.397 31.298 11.723 1.00 0.00 H new ATOM 0 HB ILE A 30 35.915 29.842 14.357 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.947 31.236 12.482 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.353 29.540 12.309 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.895 31.953 15.148 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.626 32.167 14.798 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.405 32.762 13.648 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.314 29.815 13.697 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.634 29.114 14.662 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.221 30.836 14.838 1.00 0.00 H new ATOM 476 N GLN A 31 38.781 30.295 13.766 1.00 0.00 N ATOM 477 CA GLN A 31 40.070 30.674 14.339 1.00 0.00 C ATOM 478 C GLN A 31 40.983 31.277 13.272 1.00 0.00 C ATOM 479 O GLN A 31 42.065 31.780 13.576 1.00 0.00 O ATOM 480 CB GLN A 31 40.741 29.442 14.958 1.00 0.00 C ATOM 481 CG GLN A 31 42.019 29.858 15.691 1.00 0.00 C ATOM 482 CD GLN A 31 42.484 28.732 16.607 1.00 0.00 C ATOM 483 OE1 GLN A 31 41.952 27.623 16.550 1.00 0.00 O ATOM 484 NE2 GLN A 31 43.453 28.952 17.453 1.00 0.00 N ATOM 0 H GLN A 31 38.504 29.331 13.948 1.00 0.00 H new ATOM 0 HA GLN A 31 39.899 31.425 15.110 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.056 28.954 15.651 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.977 28.716 14.180 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.800 30.097 14.970 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.836 30.761 16.274 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.892 29.872 17.498 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.772 28.204 18.069 1.00 0.00 H new ATOM 493 N ASP A 32 40.542 31.225 12.017 1.00 0.00 N ATOM 494 CA ASP A 32 41.327 31.767 10.910 1.00 0.00 C ATOM 495 C ASP A 32 40.966 33.226 10.641 1.00 0.00 C ATOM 496 O ASP A 32 41.831 34.036 10.307 1.00 0.00 O ATOM 497 CB ASP A 32 41.074 30.944 9.648 1.00 0.00 C ATOM 498 CG ASP A 32 41.242 29.461 9.955 1.00 0.00 C ATOM 499 OD1 ASP A 32 42.073 29.139 10.787 1.00 0.00 O ATOM 500 OD2 ASP A 32 40.533 28.669 9.356 1.00 0.00 O1- ATOM 0 H ASP A 32 39.649 30.815 11.742 1.00 0.00 H new ATOM 0 HA ASP A 32 42.381 31.715 11.184 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.068 31.135 9.274 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.768 31.243 8.863 1.00 0.00 H new ATOM 505 N LYS A 33 39.681 33.551 10.773 1.00 0.00 N ATOM 506 CA LYS A 33 39.211 34.915 10.526 1.00 0.00 C ATOM 507 C LYS A 33 39.223 35.746 11.805 1.00 0.00 C ATOM 508 O LYS A 33 39.194 36.976 11.752 1.00 0.00 O ATOM 509 CB LYS A 33 37.798 34.871 9.946 1.00 0.00 C ATOM 510 CG LYS A 33 37.825 34.089 8.631 1.00 0.00 C ATOM 511 CD LYS A 33 36.447 34.138 7.966 1.00 0.00 C ATOM 512 CE LYS A 33 36.363 33.057 6.885 1.00 0.00 C ATOM 513 NZ LYS A 33 37.579 33.118 6.024 1.00 0.00 N1+ ATOM 0 H LYS A 33 38.950 32.894 11.048 1.00 0.00 H new ATOM 0 HA LYS A 33 39.887 35.387 9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.116 34.398 10.652 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.429 35.882 9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.576 34.511 7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.111 33.054 8.819 1.00 0.00 H new ATOM 0 HD2 LYS A 33 35.666 33.984 8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.278 35.121 7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 33 36.280 32.073 7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 33 35.468 33.202 6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.371 32.690 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 37.861 34.110 5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.354 32.596 6.481 1.00 0.00 H new ATOM 527 N THR A 34 39.277 35.075 12.956 1.00 0.00 N ATOM 528 CA THR A 34 39.307 35.771 14.247 1.00 0.00 C ATOM 529 C THR A 34 40.717 35.734 14.829 1.00 0.00 C ATOM 530 O THR A 34 41.160 36.685 15.473 1.00 0.00 O ATOM 531 CB THR A 34 38.335 35.111 15.229 1.00 0.00 C ATOM 532 OG1 THR A 34 38.664 33.737 15.371 1.00 0.00 O ATOM 533 CG2 THR A 34 36.901 35.246 14.713 1.00 0.00 C ATOM 0 H THR A 34 39.301 34.058 13.023 1.00 0.00 H new ATOM 0 HA THR A 34 39.007 36.807 14.088 1.00 0.00 H new ATOM 0 HB THR A 34 38.413 35.605 16.197 1.00 0.00 H new ATOM 0 HG1 THR A 34 38.445 33.261 14.543 1.00 0.00 H new ATOM 0 HG21 THR A 34 36.215 34.774 15.417 1.00 0.00 H new ATOM 0 HG22 THR A 34 36.648 36.302 14.612 1.00 0.00 H new ATOM 0 HG23 THR A 34 36.816 34.759 13.742 1.00 0.00 H new ATOM 541 N GLY A 35 41.419 34.630 14.588 1.00 0.00 N ATOM 542 CA GLY A 35 42.782 34.475 15.082 1.00 0.00 C ATOM 543 C GLY A 35 42.847 34.629 16.599 1.00 0.00 C ATOM 544 O GLY A 35 43.350 35.629 17.109 1.00 0.00 O ATOM 0 H GLY A 35 41.068 33.834 14.056 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.164 33.494 14.798 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.427 35.217 14.612 1.00 0.00 H new ATOM 548 N LEU A 36 42.343 33.627 17.319 1.00 0.00 N ATOM 549 CA LEU A 36 42.358 33.659 18.781 1.00 0.00 C ATOM 550 C LEU A 36 42.322 32.231 19.343 1.00 0.00 C ATOM 551 O LEU A 36 41.843 31.311 18.681 1.00 0.00 O ATOM 552 CB LEU A 36 41.158 34.477 19.308 1.00 0.00 C ATOM 553 CG LEU A 36 39.983 34.397 18.327 1.00 0.00 C ATOM 554 CD1 LEU A 36 39.574 32.934 18.116 1.00 0.00 C ATOM 555 CD2 LEU A 36 38.799 35.182 18.906 1.00 0.00 C ATOM 0 H LEU A 36 41.922 32.789 16.917 1.00 0.00 H new ATOM 0 HA LEU A 36 43.278 34.139 19.113 1.00 0.00 H new ATOM 0 HB2 LEU A 36 40.852 34.098 20.283 1.00 0.00 H new ATOM 0 HB3 LEU A 36 41.452 35.517 19.448 1.00 0.00 H new ATOM 0 HG LEU A 36 40.279 34.822 17.368 1.00 0.00 H new ATOM 0 HD11 LEU A 36 38.738 32.887 17.418 1.00 0.00 H new ATOM 0 HD12 LEU A 36 40.418 32.375 17.711 1.00 0.00 H new ATOM 0 HD13 LEU A 36 39.275 32.499 19.069 1.00 0.00 H new ATOM 0 HD21 LEU A 36 37.957 35.132 18.216 1.00 0.00 H new ATOM 0 HD22 LEU A 36 38.509 34.750 19.864 1.00 0.00 H new ATOM 0 HD23 LEU A 36 39.088 36.223 19.050 1.00 0.00 H new ATOM 567 N PRO A 37 42.811 32.031 20.545 1.00 0.00 N ATOM 568 CA PRO A 37 42.821 30.681 21.190 1.00 0.00 C ATOM 569 C PRO A 37 41.403 30.114 21.323 1.00 0.00 C ATOM 570 O PRO A 37 40.421 30.847 21.210 1.00 0.00 O ATOM 571 CB PRO A 37 43.470 30.933 22.568 1.00 0.00 C ATOM 572 CG PRO A 37 43.348 32.408 22.799 1.00 0.00 C ATOM 573 CD PRO A 37 43.407 33.054 21.419 1.00 0.00 C ATOM 0 HA PRO A 37 43.366 29.940 20.606 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.963 30.369 23.351 1.00 0.00 H new ATOM 0 HB3 PRO A 37 44.514 30.619 22.574 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.412 32.648 23.303 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.155 32.772 23.435 1.00 0.00 H new ATOM 0 HD2 PRO A 37 42.846 33.988 21.387 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.431 33.287 21.127 1.00 0.00 H new ATOM 581 N PRO A 38 41.285 28.831 21.549 1.00 0.00 N ATOM 582 CA PRO A 38 39.959 28.155 21.688 1.00 0.00 C ATOM 583 C PRO A 38 39.195 28.629 22.926 1.00 0.00 C ATOM 584 O PRO A 38 37.966 28.608 22.948 1.00 0.00 O ATOM 585 CB PRO A 38 40.318 26.660 21.783 1.00 0.00 C ATOM 586 CG PRO A 38 41.730 26.633 22.274 1.00 0.00 C ATOM 587 CD PRO A 38 42.400 27.881 21.698 1.00 0.00 C ATOM 0 HA PRO A 38 39.294 28.379 20.854 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.651 26.137 22.468 1.00 0.00 H new ATOM 0 HB3 PRO A 38 40.227 26.170 20.814 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.765 26.639 23.363 1.00 0.00 H new ATOM 0 HG3 PRO A 38 42.241 25.728 21.944 1.00 0.00 H new ATOM 0 HD2 PRO A 38 43.170 28.267 22.365 1.00 0.00 H new ATOM 0 HD3 PRO A 38 42.881 27.674 20.742 1.00 0.00 H new ATOM 595 N ASP A 39 39.929 29.055 23.948 1.00 0.00 N ATOM 596 CA ASP A 39 39.297 29.528 25.174 1.00 0.00 C ATOM 597 C ASP A 39 38.609 30.870 24.937 1.00 0.00 C ATOM 598 O ASP A 39 38.096 31.490 25.870 1.00 0.00 O ATOM 599 CB ASP A 39 40.339 29.669 26.287 1.00 0.00 C ATOM 600 CG ASP A 39 41.501 30.531 25.809 1.00 0.00 C ATOM 601 OD1 ASP A 39 41.331 31.220 24.819 1.00 0.00 O ATOM 602 OD2 ASP A 39 42.545 30.488 26.439 1.00 0.00 O1- ATOM 0 H ASP A 39 40.949 29.083 23.953 1.00 0.00 H new ATOM 0 HA ASP A 39 38.548 28.797 25.478 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.882 30.117 27.169 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.703 28.685 26.582 1.00 0.00 H new ATOM 607 N GLN A 40 38.599 31.312 23.677 1.00 0.00 N ATOM 608 CA GLN A 40 37.968 32.585 23.307 1.00 0.00 C ATOM 609 C GLN A 40 36.889 32.361 22.246 1.00 0.00 C ATOM 610 O GLN A 40 36.296 33.317 21.745 1.00 0.00 O ATOM 611 CB GLN A 40 39.024 33.554 22.758 1.00 0.00 C ATOM 612 CG GLN A 40 39.858 34.124 23.908 1.00 0.00 C ATOM 613 CD GLN A 40 40.842 35.157 23.372 1.00 0.00 C ATOM 614 OE1 GLN A 40 40.827 35.471 22.182 1.00 0.00 O ATOM 615 NE2 GLN A 40 41.704 35.707 24.182 1.00 0.00 N ATOM 0 H GLN A 40 39.020 30.809 22.896 1.00 0.00 H new ATOM 0 HA GLN A 40 37.508 33.011 24.198 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.671 33.037 22.050 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.539 34.364 22.213 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.205 34.582 24.650 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.398 33.321 24.410 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.716 35.446 25.168 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.366 36.398 23.829 1.00 0.00 H new ATOM 624 N GLN A 41 36.640 31.095 21.902 1.00 0.00 N ATOM 625 CA GLN A 41 35.631 30.759 20.889 1.00 0.00 C ATOM 626 C GLN A 41 34.369 30.198 21.539 1.00 0.00 C ATOM 627 O GLN A 41 34.437 29.337 22.416 1.00 0.00 O ATOM 628 CB GLN A 41 36.199 29.724 19.917 1.00 0.00 C ATOM 629 CG GLN A 41 37.317 30.358 19.089 1.00 0.00 C ATOM 630 CD GLN A 41 37.910 29.326 18.137 1.00 0.00 C ATOM 631 OE1 GLN A 41 38.407 28.289 18.577 1.00 0.00 O ATOM 632 NE2 GLN A 41 37.887 29.547 16.851 1.00 0.00 N ATOM 0 H GLN A 41 37.118 30.289 22.305 1.00 0.00 H new ATOM 0 HA GLN A 41 35.372 31.671 20.352 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.583 28.865 20.468 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.411 29.355 19.261 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.927 31.204 18.524 1.00 0.00 H new ATOM 0 HG3 GLN A 41 38.094 30.746 19.748 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.475 30.407 16.489 1.00 0.00 H new ATOM 0 HE22 GLN A 41 38.281 28.860 16.208 1.00 0.00 H new ATOM 641 N ARG A 42 33.214 30.693 21.095 1.00 0.00 N ATOM 642 CA ARG A 42 31.931 30.241 21.629 1.00 0.00 C ATOM 643 C ARG A 42 30.840 30.399 20.572 1.00 0.00 C ATOM 644 O ARG A 42 30.717 31.456 19.954 1.00 0.00 O ATOM 645 CB ARG A 42 31.569 31.059 22.869 1.00 0.00 C ATOM 646 CG ARG A 42 30.318 30.473 23.528 1.00 0.00 C ATOM 647 CD ARG A 42 30.047 31.208 24.841 1.00 0.00 C ATOM 648 NE ARG A 42 28.996 30.533 25.592 1.00 0.00 N ATOM 649 CZ ARG A 42 28.509 31.059 26.713 1.00 0.00 C ATOM 650 NH1 ARG A 42 28.965 32.201 27.149 1.00 0.00 N ATOM 651 NH2 ARG A 42 27.575 30.434 27.374 1.00 0.00 N1+ ATOM 0 H ARG A 42 33.141 31.405 20.369 1.00 0.00 H new ATOM 0 HA ARG A 42 32.012 29.189 21.903 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.400 31.054 23.575 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.393 32.098 22.592 1.00 0.00 H new ATOM 0 HG2 ARG A 42 29.462 30.570 22.860 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.457 29.408 23.716 1.00 0.00 H new ATOM 0 HD2 ARG A 42 30.959 31.250 25.437 1.00 0.00 H new ATOM 0 HD3 ARG A 42 29.753 32.237 24.635 1.00 0.00 H new ATOM 0 HE ARG A 42 28.628 29.644 25.253 1.00 0.00 H new ATOM 0 HH11 ARG A 42 29.695 32.690 26.631 1.00 0.00 H new ATOM 0 HH12 ARG A 42 28.592 32.605 28.008 1.00 0.00 H new ATOM 0 HH21 ARG A 42 27.218 29.542 27.032 1.00 0.00 H new ATOM 0 HH22 ARG A 42 27.202 30.837 28.233 1.00 0.00 H new ATOM 665 N LEU A 43 30.056 29.339 20.357 1.00 0.00 N ATOM 666 CA LEU A 43 28.983 29.366 19.356 1.00 0.00 C ATOM 667 C LEU A 43 27.630 29.065 19.992 1.00 0.00 C ATOM 668 O LEU A 43 27.486 28.109 20.753 1.00 0.00 O ATOM 669 CB LEU A 43 29.266 28.328 18.267 1.00 0.00 C ATOM 670 CG LEU A 43 30.595 28.647 17.568 1.00 0.00 C ATOM 671 CD1 LEU A 43 30.972 27.480 16.653 1.00 0.00 C ATOM 672 CD2 LEU A 43 30.468 29.937 16.736 1.00 0.00 C ATOM 0 H LEU A 43 30.142 28.455 20.859 1.00 0.00 H new ATOM 0 HA LEU A 43 28.951 30.366 18.922 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.307 27.331 18.706 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.455 28.323 17.539 1.00 0.00 H new ATOM 0 HG LEU A 43 31.369 28.794 18.321 1.00 0.00 H new ATOM 0 HD11 LEU A 43 31.915 27.700 16.153 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.079 26.572 17.247 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.191 27.336 15.907 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.419 30.149 16.247 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.692 29.808 15.981 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.203 30.767 17.390 1.00 0.00 H new ATOM 684 N ILE A 44 26.635 29.888 19.653 1.00 0.00 N ATOM 685 CA ILE A 44 25.274 29.717 20.167 1.00 0.00 C ATOM 686 C ILE A 44 24.268 29.935 19.041 1.00 0.00 C ATOM 687 O ILE A 44 24.254 30.989 18.404 1.00 0.00 O ATOM 688 CB ILE A 44 24.999 30.721 21.297 1.00 0.00 C ATOM 689 CG1 ILE A 44 25.829 30.355 22.536 1.00 0.00 C ATOM 690 CG2 ILE A 44 23.508 30.695 21.663 1.00 0.00 C ATOM 691 CD1 ILE A 44 25.903 31.564 23.472 1.00 0.00 C ATOM 0 H ILE A 44 26.747 30.682 19.023 1.00 0.00 H new ATOM 0 HA ILE A 44 25.173 28.705 20.559 1.00 0.00 H new ATOM 0 HB ILE A 44 25.275 31.719 20.957 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.378 29.508 23.053 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.832 30.049 22.238 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.318 31.409 22.465 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.914 30.964 20.789 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.232 29.694 21.995 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.492 31.307 24.353 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.373 32.398 22.952 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.897 31.849 23.779 1.00 0.00 H new ATOM 703 N PHE A 45 23.418 28.937 18.809 1.00 0.00 N ATOM 704 CA PHE A 45 22.393 29.025 17.766 1.00 0.00 C ATOM 705 C PHE A 45 21.009 28.956 18.398 1.00 0.00 C ATOM 706 O PHE A 45 20.727 28.067 19.202 1.00 0.00 O ATOM 707 CB PHE A 45 22.553 27.871 16.772 1.00 0.00 C ATOM 708 CG PHE A 45 21.550 28.040 15.651 1.00 0.00 C ATOM 709 CD1 PHE A 45 21.654 29.133 14.783 1.00 0.00 C ATOM 710 CD2 PHE A 45 20.514 27.112 15.484 1.00 0.00 C ATOM 711 CE1 PHE A 45 20.725 29.299 13.749 1.00 0.00 C ATOM 712 CE2 PHE A 45 19.586 27.278 14.447 1.00 0.00 C ATOM 713 CZ PHE A 45 19.691 28.372 13.580 1.00 0.00 C ATOM 0 H PHE A 45 23.417 28.058 19.327 1.00 0.00 H new ATOM 0 HA PHE A 45 22.508 29.972 17.239 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.566 27.858 16.371 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.397 26.917 17.275 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.452 29.849 14.911 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.430 26.269 16.154 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.807 30.144 13.081 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.789 26.561 14.317 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.975 28.500 12.782 1.00 0.00 H new ATOM 723 N ALA A 46 20.148 29.900 18.037 1.00 0.00 N ATOM 724 CA ALA A 46 18.798 29.931 18.587 1.00 0.00 C ATOM 725 C ALA A 46 18.839 29.881 20.112 1.00 0.00 C ATOM 726 O ALA A 46 17.956 29.308 20.748 1.00 0.00 O ATOM 727 CB ALA A 46 17.993 28.742 18.059 1.00 0.00 C ATOM 0 H ALA A 46 20.357 30.646 17.374 1.00 0.00 H new ATOM 0 HA ALA A 46 18.321 30.861 18.277 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.986 28.772 18.474 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.939 28.793 16.972 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.480 27.813 18.355 1.00 0.00 H new ATOM 733 N GLY A 47 19.871 30.489 20.692 1.00 0.00 N ATOM 734 CA GLY A 47 20.021 30.513 22.145 1.00 0.00 C ATOM 735 C GLY A 47 20.675 29.232 22.653 1.00 0.00 C ATOM 736 O GLY A 47 21.297 29.224 23.716 1.00 0.00 O ATOM 0 H GLY A 47 20.612 30.969 20.182 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.624 31.373 22.437 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.044 30.636 22.612 1.00 0.00 H new ATOM 740 N LYS A 48 20.529 28.152 21.894 1.00 0.00 N ATOM 741 CA LYS A 48 21.109 26.871 22.286 1.00 0.00 C ATOM 742 C LYS A 48 22.627 26.897 22.138 1.00 0.00 C ATOM 743 O LYS A 48 23.154 27.355 21.125 1.00 0.00 O ATOM 744 CB LYS A 48 20.520 25.746 21.432 1.00 0.00 C ATOM 745 CG LYS A 48 20.872 24.391 22.050 1.00 0.00 C ATOM 746 CD LYS A 48 20.162 23.279 21.273 1.00 0.00 C ATOM 747 CE LYS A 48 20.619 21.911 21.790 1.00 0.00 C ATOM 748 NZ LYS A 48 19.948 21.620 23.090 1.00 0.00 N1+ ATOM 0 H LYS A 48 20.019 28.136 21.011 1.00 0.00 H new ATOM 0 HA LYS A 48 20.868 26.690 23.333 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.438 25.856 21.365 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.910 25.805 20.416 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.951 24.236 22.024 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.571 24.367 23.097 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.082 23.378 21.384 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.383 23.368 20.209 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.377 21.136 21.062 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.701 21.902 21.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.258 20.691 23.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.200 22.354 23.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.917 21.612 22.954 1.00 0.00 H new ATOM 762 N GLN A 49 23.320 26.409 23.164 1.00 0.00 N ATOM 763 CA GLN A 49 24.782 26.384 23.156 1.00 0.00 C ATOM 764 C GLN A 49 25.312 25.118 22.491 1.00 0.00 C ATOM 765 O GLN A 49 24.850 24.011 22.774 1.00 0.00 O ATOM 766 CB GLN A 49 25.303 26.461 24.591 1.00 0.00 C ATOM 767 CG GLN A 49 26.832 26.428 24.578 1.00 0.00 C ATOM 768 CD GLN A 49 27.370 26.784 25.958 1.00 0.00 C ATOM 769 OE1 GLN A 49 28.282 27.709 26.072 1.00 0.00 O flip ATOM 770 NE2 GLN A 49 26.945 26.208 26.960 1.00 0.00 N flip ATOM 0 H GLN A 49 22.895 26.027 24.009 1.00 0.00 H new ATOM 0 HA GLN A 49 25.133 27.243 22.584 1.00 0.00 H new ATOM 0 HB2 GLN A 49 24.952 27.376 25.069 1.00 0.00 H new ATOM 0 HB3 GLN A 49 24.915 25.627 25.176 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.181 25.437 24.287 1.00 0.00 H new ATOM 0 HG3 GLN A 49 27.213 27.131 23.837 1.00 0.00 H new ATOM 0 HE21 GLN A 49 26.232 25.485 26.868 1.00 0.00 H new ATOM 0 HE22 GLN A 49 27.306 26.454 27.882 1.00 0.00 H new ATOM 779 N LEU A 50 26.291 25.295 21.606 1.00 0.00 N ATOM 780 CA LEU A 50 26.897 24.169 20.897 1.00 0.00 C ATOM 781 C LEU A 50 28.064 23.598 21.697 1.00 0.00 C ATOM 782 O LEU A 50 28.724 24.316 22.449 1.00 0.00 O ATOM 783 CB LEU A 50 27.400 24.631 19.526 1.00 0.00 C ATOM 784 CG LEU A 50 26.311 25.446 18.818 1.00 0.00 C ATOM 785 CD1 LEU A 50 26.746 25.731 17.378 1.00 0.00 C ATOM 786 CD2 LEU A 50 24.995 24.656 18.806 1.00 0.00 C ATOM 0 H LEU A 50 26.681 26.205 21.363 1.00 0.00 H new ATOM 0 HA LEU A 50 26.142 23.393 20.770 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.300 25.235 19.644 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.673 23.768 18.919 1.00 0.00 H new ATOM 0 HG LEU A 50 26.161 26.386 19.350 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.973 26.310 16.872 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.678 26.297 17.385 1.00 0.00 H new ATOM 0 HD13 LEU A 50 26.897 24.789 16.850 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.225 25.240 18.302 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.141 23.714 18.277 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.683 24.452 19.831 1.00 0.00 H new ATOM 798 N GLU A 51 28.315 22.298 21.530 1.00 0.00 N ATOM 799 CA GLU A 51 29.408 21.630 22.239 1.00 0.00 C ATOM 800 C GLU A 51 30.073 20.591 21.340 1.00 0.00 C ATOM 801 O GLU A 51 29.405 19.912 20.560 1.00 0.00 O ATOM 802 CB GLU A 51 28.873 20.946 23.499 1.00 0.00 C ATOM 803 CG GLU A 51 28.447 22.007 24.516 1.00 0.00 C ATOM 804 CD GLU A 51 27.909 21.335 25.774 1.00 0.00 C ATOM 805 OE1 GLU A 51 27.936 20.116 25.829 1.00 0.00 O ATOM 806 OE2 GLU A 51 27.478 22.048 26.665 1.00 0.00 O1- ATOM 0 H GLU A 51 27.778 21.689 20.912 1.00 0.00 H new ATOM 0 HA GLU A 51 30.147 22.381 22.518 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.026 20.308 23.247 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.640 20.302 23.929 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.296 22.643 24.768 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.683 22.652 24.083 1.00 0.00 H new ATOM 813 N ASP A 52 31.393 20.474 21.456 1.00 0.00 N ATOM 814 CA ASP A 52 32.142 19.515 20.651 1.00 0.00 C ATOM 815 C ASP A 52 31.667 18.092 20.927 1.00 0.00 C ATOM 816 O ASP A 52 31.937 17.532 21.990 1.00 0.00 O ATOM 817 CB ASP A 52 33.636 19.630 20.965 1.00 0.00 C ATOM 818 CG ASP A 52 34.432 18.655 20.103 1.00 0.00 C ATOM 819 OD1 ASP A 52 33.813 17.846 19.431 1.00 0.00 O1- ATOM 820 OD2 ASP A 52 35.650 18.731 20.130 1.00 0.00 O ATOM 0 H ASP A 52 31.963 21.028 22.096 1.00 0.00 H new ATOM 0 HA ASP A 52 31.972 19.740 19.598 1.00 0.00 H new ATOM 0 HB2 ASP A 52 33.976 20.649 20.782 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.811 19.420 22.020 1.00 0.00 H new ATOM 825 N GLY A 53 30.956 17.514 19.961 1.00 0.00 N ATOM 826 CA GLY A 53 30.439 16.151 20.097 1.00 0.00 C ATOM 827 C GLY A 53 29.089 16.012 19.401 1.00 0.00 C ATOM 828 O GLY A 53 28.483 14.941 19.405 1.00 0.00 O ATOM 0 H GLY A 53 30.724 17.966 19.077 1.00 0.00 H new ATOM 0 HA2 GLY A 53 31.149 15.444 19.668 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.337 15.900 21.153 1.00 0.00 H new ATOM 832 N ARG A 54 28.621 17.110 18.803 1.00 0.00 N ATOM 833 CA ARG A 54 27.337 17.120 18.098 1.00 0.00 C ATOM 834 C ARG A 54 27.489 17.757 16.721 1.00 0.00 C ATOM 835 O ARG A 54 28.303 18.659 16.532 1.00 0.00 O ATOM 836 CB ARG A 54 26.309 17.907 18.913 1.00 0.00 C ATOM 837 CG ARG A 54 25.894 17.096 20.141 1.00 0.00 C ATOM 838 CD ARG A 54 24.789 17.844 20.885 1.00 0.00 C ATOM 839 NE ARG A 54 23.669 18.089 19.986 1.00 0.00 N ATOM 840 CZ ARG A 54 22.624 18.814 20.367 1.00 0.00 C ATOM 841 NH1 ARG A 54 22.579 19.312 21.572 1.00 0.00 N ATOM 842 NH2 ARG A 54 21.642 19.027 19.534 1.00 0.00 N1+ ATOM 0 H ARG A 54 29.112 18.004 18.793 1.00 0.00 H new ATOM 0 HA ARG A 54 26.999 16.091 17.975 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.731 18.863 19.222 1.00 0.00 H new ATOM 0 HB3 ARG A 54 25.436 18.128 18.299 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.542 16.110 19.839 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.751 16.942 20.797 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.457 17.261 21.744 1.00 0.00 H new ATOM 0 HD3 ARG A 54 25.172 18.789 21.270 1.00 0.00 H new ATOM 0 HE ARG A 54 23.688 17.696 19.045 1.00 0.00 H new ATOM 0 HH11 ARG A 54 23.347 19.144 22.222 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.776 19.869 21.864 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.678 18.637 18.592 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.838 19.584 19.825 1.00 0.00 H new ATOM 856 N THR A 55 26.701 17.280 15.760 1.00 0.00 N ATOM 857 CA THR A 55 26.752 17.805 14.393 1.00 0.00 C ATOM 858 C THR A 55 25.693 18.884 14.184 1.00 0.00 C ATOM 859 O THR A 55 24.907 19.182 15.081 1.00 0.00 O ATOM 860 CB THR A 55 26.521 16.670 13.391 1.00 0.00 C ATOM 861 OG1 THR A 55 25.315 15.995 13.718 1.00 0.00 O ATOM 862 CG2 THR A 55 27.689 15.684 13.445 1.00 0.00 C ATOM 0 H THR A 55 26.021 16.533 15.900 1.00 0.00 H new ATOM 0 HA THR A 55 27.737 18.244 14.234 1.00 0.00 H new ATOM 0 HB THR A 55 26.450 17.084 12.385 1.00 0.00 H new ATOM 0 HG1 THR A 55 24.674 16.096 12.984 1.00 0.00 H new ATOM 0 HG21 THR A 55 27.519 14.879 12.730 1.00 0.00 H new ATOM 0 HG22 THR A 55 28.615 16.202 13.194 1.00 0.00 H new ATOM 0 HG23 THR A 55 27.767 15.267 14.449 1.00 0.00 H new ATOM 870 N LEU A 56 25.681 19.463 12.990 1.00 0.00 N ATOM 871 CA LEU A 56 24.713 20.503 12.662 1.00 0.00 C ATOM 872 C LEU A 56 23.304 19.917 12.622 1.00 0.00 C ATOM 873 O LEU A 56 22.343 20.551 13.059 1.00 0.00 O ATOM 874 CB LEU A 56 25.051 21.116 11.300 1.00 0.00 C ATOM 875 CG LEU A 56 26.511 21.598 11.291 1.00 0.00 C ATOM 876 CD1 LEU A 56 26.919 21.978 9.864 1.00 0.00 C ATOM 877 CD2 LEU A 56 26.667 22.821 12.209 1.00 0.00 C ATOM 0 H LEU A 56 26.327 19.232 12.235 1.00 0.00 H new ATOM 0 HA LEU A 56 24.756 21.277 13.429 1.00 0.00 H new ATOM 0 HB2 LEU A 56 24.897 20.379 10.512 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.382 21.951 11.091 1.00 0.00 H new ATOM 0 HG LEU A 56 27.152 20.794 11.653 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.954 22.319 9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.821 21.109 9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.272 22.777 9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.704 23.155 12.196 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.022 23.626 11.856 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.385 22.550 13.227 1.00 0.00 H new ATOM 889 N SER A 57 23.194 18.702 12.095 1.00 0.00 N ATOM 890 CA SER A 57 21.903 18.029 11.997 1.00 0.00 C ATOM 891 C SER A 57 21.327 17.752 13.385 1.00 0.00 C ATOM 892 O SER A 57 20.125 17.524 13.531 1.00 0.00 O ATOM 893 CB SER A 57 22.059 16.713 11.235 1.00 0.00 C ATOM 894 OG SER A 57 22.852 15.818 12.003 1.00 0.00 O ATOM 0 H SER A 57 23.980 18.164 11.730 1.00 0.00 H new ATOM 0 HA SER A 57 21.216 18.683 11.460 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.081 16.274 11.040 1.00 0.00 H new ATOM 0 HB3 SER A 57 22.527 16.893 10.267 1.00 0.00 H new ATOM 0 HG SER A 57 22.953 14.972 11.518 1.00 0.00 H new ATOM 900 N ASP A 58 22.186 17.779 14.402 1.00 0.00 N ATOM 901 CA ASP A 58 21.740 17.536 15.773 1.00 0.00 C ATOM 902 C ASP A 58 21.165 18.819 16.371 1.00 0.00 C ATOM 903 O ASP A 58 20.139 18.795 17.051 1.00 0.00 O ATOM 904 CB ASP A 58 22.915 17.039 16.632 1.00 0.00 C ATOM 905 CG ASP A 58 23.133 15.541 16.426 1.00 0.00 C ATOM 906 OD1 ASP A 58 22.443 14.968 15.598 1.00 0.00 O ATOM 907 OD2 ASP A 58 23.988 14.990 17.100 1.00 0.00 O1- ATOM 0 H ASP A 58 23.184 17.965 14.305 1.00 0.00 H new ATOM 0 HA ASP A 58 20.964 16.771 15.759 1.00 0.00 H new ATOM 0 HB2 ASP A 58 23.822 17.584 16.369 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.715 17.242 17.684 1.00 0.00 H new ATOM 912 N TYR A 59 21.834 19.938 16.110 1.00 0.00 N ATOM 913 CA TYR A 59 21.382 21.227 16.620 1.00 0.00 C ATOM 914 C TYR A 59 20.258 21.777 15.749 1.00 0.00 C ATOM 915 O TYR A 59 19.726 22.854 16.012 1.00 0.00 O ATOM 916 CB TYR A 59 22.539 22.225 16.628 1.00 0.00 C ATOM 917 CG TYR A 59 23.568 21.818 17.658 1.00 0.00 C ATOM 918 CD1 TYR A 59 23.248 21.865 19.020 1.00 0.00 C ATOM 919 CD2 TYR A 59 24.849 21.416 17.254 1.00 0.00 C ATOM 920 CE1 TYR A 59 24.206 21.512 19.978 1.00 0.00 C ATOM 921 CE2 TYR A 59 25.805 21.060 18.212 1.00 0.00 C ATOM 922 CZ TYR A 59 25.484 21.108 19.575 1.00 0.00 C ATOM 923 OH TYR A 59 26.427 20.765 20.522 1.00 0.00 O ATOM 0 H TYR A 59 22.686 19.978 15.551 1.00 0.00 H new ATOM 0 HA TYR A 59 21.016 21.083 17.636 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.999 22.269 15.641 1.00 0.00 H new ATOM 0 HB3 TYR A 59 22.166 23.225 16.850 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.261 22.174 19.332 1.00 0.00 H new ATOM 0 HD2 TYR A 59 25.098 21.381 16.204 1.00 0.00 H new ATOM 0 HE1 TYR A 59 23.959 21.551 21.029 1.00 0.00 H new ATOM 0 HE2 TYR A 59 26.791 20.748 17.900 1.00 0.00 H new ATOM 0 HH TYR A 59 26.041 20.860 21.418 1.00 0.00 H new ATOM 933 N ASN A 60 19.918 21.029 14.705 1.00 0.00 N ATOM 934 CA ASN A 60 18.867 21.440 13.780 1.00 0.00 C ATOM 935 C ASN A 60 19.292 22.688 13.009 1.00 0.00 C ATOM 936 O ASN A 60 18.452 23.455 12.541 1.00 0.00 O ATOM 937 CB ASN A 60 17.568 21.722 14.544 1.00 0.00 C ATOM 938 CG ASN A 60 17.351 20.659 15.616 1.00 0.00 C ATOM 939 OD1 ASN A 60 16.993 19.524 15.303 1.00 0.00 O ATOM 940 ND2 ASN A 60 17.550 20.962 16.869 1.00 0.00 N ATOM 0 H ASN A 60 20.354 20.135 14.478 1.00 0.00 H new ATOM 0 HA ASN A 60 18.696 20.629 13.072 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.614 22.709 15.004 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.725 21.731 13.853 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.409 20.257 17.593 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.847 21.904 17.125 1.00 0.00 H new ATOM 947 N ILE A 61 20.601 22.882 12.883 1.00 0.00 N ATOM 948 CA ILE A 61 21.131 24.037 12.166 1.00 0.00 C ATOM 949 C ILE A 61 21.024 23.826 10.656 1.00 0.00 C ATOM 950 O ILE A 61 21.372 22.764 10.140 1.00 0.00 O ATOM 951 CB ILE A 61 22.593 24.268 12.572 1.00 0.00 C ATOM 952 CG1 ILE A 61 22.631 24.765 14.021 1.00 0.00 C ATOM 953 CG2 ILE A 61 23.235 25.314 11.655 1.00 0.00 C ATOM 954 CD1 ILE A 61 24.072 24.756 14.534 1.00 0.00 C ATOM 0 H ILE A 61 21.311 22.258 13.266 1.00 0.00 H new ATOM 0 HA ILE A 61 20.544 24.917 12.428 1.00 0.00 H new ATOM 0 HB ILE A 61 23.148 23.334 12.482 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.220 25.773 14.080 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.007 24.129 14.650 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.272 25.470 11.952 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.202 24.963 10.624 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.689 26.254 11.736 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.094 25.110 15.565 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.467 23.741 14.491 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.684 25.410 13.913 1.00 0.00 H new ATOM 966 N GLN A 62 20.534 24.850 9.952 1.00 0.00 N ATOM 967 CA GLN A 62 20.373 24.781 8.495 1.00 0.00 C ATOM 968 C GLN A 62 21.225 25.843 7.804 1.00 0.00 C ATOM 969 O GLN A 62 22.265 26.254 8.320 1.00 0.00 O ATOM 970 CB GLN A 62 18.904 24.998 8.123 1.00 0.00 C ATOM 971 CG GLN A 62 18.023 24.019 8.898 1.00 0.00 C ATOM 972 CD GLN A 62 16.567 24.199 8.480 1.00 0.00 C ATOM 973 OE1 GLN A 62 16.281 24.923 7.527 1.00 0.00 O ATOM 974 NE2 GLN A 62 15.626 23.584 9.141 1.00 0.00 N ATOM 0 H GLN A 62 20.242 25.736 10.365 1.00 0.00 H new ATOM 0 HA GLN A 62 20.698 23.795 8.164 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.610 26.023 8.349 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.766 24.855 7.051 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.343 22.995 8.705 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.128 24.189 9.969 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.866 22.984 9.931 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.650 23.703 8.868 1.00 0.00 H new ATOM 983 N LYS A 63 20.776 26.276 6.629 1.00 0.00 N ATOM 984 CA LYS A 63 21.495 27.283 5.858 1.00 0.00 C ATOM 985 C LYS A 63 21.216 28.687 6.399 1.00 0.00 C ATOM 986 O LYS A 63 20.202 28.920 7.056 1.00 0.00 O ATOM 987 CB LYS A 63 21.068 27.193 4.387 1.00 0.00 C ATOM 988 CG LYS A 63 22.152 27.779 3.477 1.00 0.00 C ATOM 989 CD LYS A 63 21.750 27.563 2.017 1.00 0.00 C ATOM 990 CE LYS A 63 22.642 28.407 1.106 1.00 0.00 C ATOM 991 NZ LYS A 63 24.061 27.980 1.265 1.00 0.00 N1+ ATOM 0 H LYS A 63 19.917 25.944 6.191 1.00 0.00 H new ATOM 0 HA LYS A 63 22.565 27.094 5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.883 26.153 4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.132 27.731 4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.278 28.843 3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 63 23.111 27.301 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.842 26.509 1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.705 27.837 1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.331 28.293 0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 63 22.539 29.463 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.649 28.456 0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 24.396 28.235 2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 24.130 26.950 1.139 1.00 0.00 H new ATOM 1005 N GLU A 64 22.129 29.612 6.117 1.00 0.00 N ATOM 1006 CA GLU A 64 21.987 30.990 6.575 1.00 0.00 C ATOM 1007 C GLU A 64 21.622 31.035 8.058 1.00 0.00 C ATOM 1008 O GLU A 64 21.002 31.992 8.520 1.00 0.00 O ATOM 1009 CB GLU A 64 20.910 31.726 5.763 1.00 0.00 C ATOM 1010 CG GLU A 64 20.960 31.276 4.301 1.00 0.00 C ATOM 1011 CD GLU A 64 20.162 32.241 3.428 1.00 0.00 C ATOM 1012 OE1 GLU A 64 19.821 33.307 3.913 1.00 0.00 O1- ATOM 1013 OE2 GLU A 64 19.903 31.898 2.286 1.00 0.00 O ATOM 0 H GLU A 64 22.974 29.433 5.574 1.00 0.00 H new ATOM 0 HA GLU A 64 22.946 31.486 6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.924 31.522 6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 64 21.067 32.803 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.994 31.235 3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.554 30.269 4.208 1.00 0.00 H new ATOM 1020 N SER A 65 22.013 30.006 8.804 1.00 0.00 N ATOM 1021 CA SER A 65 21.715 29.973 10.230 1.00 0.00 C ATOM 1022 C SER A 65 22.537 31.045 10.940 1.00 0.00 C ATOM 1023 O SER A 65 23.747 31.133 10.740 1.00 0.00 O ATOM 1024 CB SER A 65 22.031 28.582 10.796 1.00 0.00 C ATOM 1025 OG SER A 65 20.875 27.760 10.682 1.00 0.00 O ATOM 0 H SER A 65 22.527 29.198 8.452 1.00 0.00 H new ATOM 0 HA SER A 65 20.656 30.175 10.391 1.00 0.00 H new ATOM 0 HB2 SER A 65 22.865 28.136 10.254 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.335 28.661 11.840 1.00 0.00 H new ATOM 0 HG SER A 65 20.353 27.814 11.509 1.00 0.00 H new ATOM 1031 N THR A 66 21.880 31.881 11.743 1.00 0.00 N ATOM 1032 CA THR A 66 22.573 32.961 12.442 1.00 0.00 C ATOM 1033 C THR A 66 23.235 32.470 13.723 1.00 0.00 C ATOM 1034 O THR A 66 22.563 32.130 14.694 1.00 0.00 O ATOM 1035 CB THR A 66 21.571 34.079 12.772 1.00 0.00 C ATOM 1036 OG1 THR A 66 21.258 34.793 11.583 1.00 0.00 O ATOM 1037 CG2 THR A 66 22.169 35.044 13.805 1.00 0.00 C ATOM 0 H THR A 66 20.877 31.832 11.924 1.00 0.00 H new ATOM 0 HA THR A 66 23.358 33.340 11.787 1.00 0.00 H new ATOM 0 HB THR A 66 20.667 33.635 13.188 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.618 35.506 11.789 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.448 35.830 14.029 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.406 34.498 14.718 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.079 35.490 13.403 1.00 0.00 H new ATOM 1045 N LEU A 67 24.564 32.479 13.722 1.00 0.00 N ATOM 1046 CA LEU A 67 25.335 32.066 14.887 1.00 0.00 C ATOM 1047 C LEU A 67 25.644 33.289 15.746 1.00 0.00 C ATOM 1048 O LEU A 67 25.217 34.399 15.429 1.00 0.00 O ATOM 1049 CB LEU A 67 26.646 31.410 14.435 1.00 0.00 C ATOM 1050 CG LEU A 67 26.371 30.046 13.776 1.00 0.00 C ATOM 1051 CD1 LEU A 67 25.753 29.068 14.793 1.00 0.00 C ATOM 1052 CD2 LEU A 67 25.425 30.222 12.577 1.00 0.00 C ATOM 0 H LEU A 67 25.130 32.769 12.924 1.00 0.00 H new ATOM 0 HA LEU A 67 24.758 31.347 15.468 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.162 32.063 13.731 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.308 31.279 15.291 1.00 0.00 H new ATOM 0 HG LEU A 67 27.318 29.633 13.428 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.566 28.110 14.309 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.442 28.925 15.626 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.813 29.476 15.165 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.236 29.252 12.117 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.483 30.652 12.917 1.00 0.00 H new ATOM 0 HD23 LEU A 67 25.884 30.887 11.846 1.00 0.00 H new ATOM 1064 N HIS A 68 26.390 33.087 16.830 1.00 0.00 N ATOM 1065 CA HIS A 68 26.747 34.194 17.717 1.00 0.00 C ATOM 1066 C HIS A 68 28.137 33.988 18.306 1.00 0.00 C ATOM 1067 O HIS A 68 28.391 32.998 18.992 1.00 0.00 O ATOM 1068 CB HIS A 68 25.724 34.312 18.852 1.00 0.00 C ATOM 1069 CG HIS A 68 24.407 34.776 18.293 1.00 0.00 C ATOM 1070 ND1 HIS A 68 24.092 35.750 17.377 1.00 0.00 N flip ATOM 1071 CD2 HIS A 68 23.199 34.213 18.676 1.00 0.00 C flip ATOM 1072 CE1 HIS A 68 22.713 35.792 17.193 1.00 0.00 C flip ATOM 1073 NE2 HIS A 68 22.223 34.847 17.998 1.00 0.00 N flip ATOM 0 H HIS A 68 26.756 32.178 17.114 1.00 0.00 H new ATOM 0 HA HIS A 68 26.746 35.112 17.130 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.602 33.349 19.348 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.080 35.015 19.605 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.065 33.412 19.388 1.00 0.00 H new ATOM 0 HE1 HIS A 68 22.158 36.449 16.539 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.230 34.631 18.089 1.00 0.00 H new ATOM 1081 N ILE A 69 29.030 34.941 18.041 1.00 0.00 N ATOM 1082 CA ILE A 69 30.396 34.877 18.555 1.00 0.00 C ATOM 1083 C ILE A 69 30.507 35.727 19.815 1.00 0.00 C ATOM 1084 O ILE A 69 30.421 36.954 19.754 1.00 0.00 O ATOM 1085 CB ILE A 69 31.378 35.390 17.497 1.00 0.00 C ATOM 1086 CG1 ILE A 69 31.288 34.507 16.247 1.00 0.00 C ATOM 1087 CG2 ILE A 69 32.802 35.339 18.052 1.00 0.00 C ATOM 1088 CD1 ILE A 69 32.054 35.163 15.095 1.00 0.00 C ATOM 0 H ILE A 69 28.832 35.765 17.474 1.00 0.00 H new ATOM 0 HA ILE A 69 30.640 33.842 18.793 1.00 0.00 H new ATOM 0 HB ILE A 69 31.126 36.418 17.238 1.00 0.00 H new ATOM 0 HG12 ILE A 69 31.702 33.521 16.456 1.00 0.00 H new ATOM 0 HG13 ILE A 69 30.245 34.362 15.967 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.500 35.704 17.298 1.00 0.00 H new ATOM 0 HG22 ILE A 69 32.868 35.965 18.942 1.00 0.00 H new ATOM 0 HG23 ILE A 69 33.054 34.311 18.312 1.00 0.00 H new ATOM 0 HD11 ILE A 69 31.988 34.532 14.208 1.00 0.00 H new ATOM 0 HD12 ILE A 69 31.620 36.139 14.879 1.00 0.00 H new ATOM 0 HD13 ILE A 69 33.100 35.285 15.376 1.00 0.00 H new ATOM 1100 N VAL A 70 30.696 35.073 20.959 1.00 0.00 N ATOM 1101 CA VAL A 70 30.813 35.785 22.231 1.00 0.00 C ATOM 1102 C VAL A 70 32.268 36.130 22.517 1.00 0.00 C ATOM 1103 O VAL A 70 33.030 35.294 23.002 1.00 0.00 O ATOM 1104 CB VAL A 70 30.260 34.923 23.368 1.00 0.00 C ATOM 1105 CG1 VAL A 70 30.051 35.790 24.612 1.00 0.00 C ATOM 1106 CG2 VAL A 70 28.923 34.305 22.942 1.00 0.00 C ATOM 0 H VAL A 70 30.771 34.058 21.032 1.00 0.00 H new ATOM 0 HA VAL A 70 30.237 36.708 22.163 1.00 0.00 H new ATOM 0 HB VAL A 70 30.969 34.127 23.596 1.00 0.00 H new ATOM 0 HG11 VAL A 70 29.657 35.176 25.422 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.003 36.225 24.917 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.344 36.588 24.385 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.531 33.691 23.753 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.212 35.099 22.711 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.074 33.685 22.058 1.00 0.00 H new