USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 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 -80:sc= 2.51 USER MOD Set 1.2: A 57 SER OG : rot -26:sc= 1.08 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 164:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 121:sc= 1.03 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 2.45 (180deg=2.09) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 11 LYS NZ :NH3+ -148:sc= 0.744 (180deg=-0.231!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 163:sc= 1.22 USER MOD Single : A 25 ASN : amide:sc= 0.788 K(o=0.79,f=-0.22) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.31 (180deg=1.24) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.16) USER MOD Single : A 31 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.75) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0476) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 GLN : amide:sc= 0.905 K(o=0.91,f=-3.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.94 K(o=1.9,f=-4!) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.41 USER MOD Single : A 60 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.14) USER MOD Single : A 65 SER OG : rot -150:sc= 0.0333 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00352 X(o=-0.0035,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.971 52.165 19.853 1.00 0.00 N ATOM 2 CA MET A 1 33.287 52.487 21.253 1.00 0.00 C ATOM 3 C MET A 1 34.780 52.781 21.411 1.00 0.00 C ATOM 4 O MET A 1 35.591 52.178 20.712 1.00 0.00 O ATOM 5 CB MET A 1 32.828 51.410 22.230 1.00 0.00 C ATOM 6 CG MET A 1 33.497 50.048 22.066 1.00 0.00 C ATOM 7 SD MET A 1 32.977 48.826 23.296 1.00 0.00 S ATOM 8 CE MET A 1 34.042 47.437 22.836 1.00 0.00 C ATOM 0 H1 MET A 1 31.939 52.151 19.724 1.00 0.00 H new ATOM 0 H2 MET A 1 33.388 52.884 19.229 1.00 0.00 H new ATOM 0 H3 MET A 1 33.362 51.231 19.615 1.00 0.00 H new ATOM 0 HA MET A 1 32.724 53.385 21.507 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.008 51.764 23.245 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.751 51.282 22.123 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.278 49.663 21.070 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.578 50.175 22.128 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.848 46.594 23.500 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.834 47.144 21.807 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.087 47.735 22.924 1.00 0.00 H new ATOM 20 N GLN A 2 35.144 53.650 22.349 1.00 0.00 N ATOM 21 CA GLN A 2 36.522 53.901 22.723 1.00 0.00 C ATOM 22 C GLN A 2 37.004 52.923 23.796 1.00 0.00 C ATOM 23 O GLN A 2 36.281 52.664 24.756 1.00 0.00 O ATOM 24 CB GLN A 2 36.703 55.349 23.168 1.00 0.00 C ATOM 25 CG GLN A 2 36.662 56.295 21.972 1.00 0.00 C ATOM 26 CD GLN A 2 36.841 57.777 22.309 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.852 58.227 23.453 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.988 58.609 21.281 1.00 0.00 N ATOM 0 H GLN A 2 34.473 54.207 22.877 1.00 0.00 H new ATOM 0 HA GLN A 2 37.142 53.737 21.841 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.919 55.617 23.876 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.654 55.457 23.690 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.442 56.001 21.270 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.708 56.168 21.460 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.981 58.248 20.327 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.108 59.608 21.447 1.00 0.00 H new ATOM 37 N ILE A 3 38.228 52.420 23.658 1.00 0.00 N ATOM 38 CA ILE A 3 38.913 51.634 24.663 1.00 0.00 C ATOM 39 C ILE A 3 40.340 52.140 24.884 1.00 0.00 C ATOM 40 O ILE A 3 40.970 52.647 23.959 1.00 0.00 O ATOM 41 CB ILE A 3 38.885 50.138 24.356 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.641 49.756 23.087 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.453 49.614 24.338 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.927 48.262 22.962 1.00 0.00 C ATOM 0 H ILE A 3 38.783 52.557 22.813 1.00 0.00 H new ATOM 0 HA ILE A 3 38.365 51.766 25.596 1.00 0.00 H new ATOM 0 HB ILE A 3 39.423 49.650 25.169 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.063 50.079 22.221 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.585 50.300 23.061 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.459 48.547 24.117 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.992 49.781 25.312 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.883 50.140 23.572 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.467 48.071 22.034 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.532 47.935 23.808 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.987 47.711 22.954 1.00 0.00 H new ATOM 56 N PHE A 4 40.867 51.989 26.095 1.00 0.00 N ATOM 57 CA PHE A 4 42.188 52.458 26.465 1.00 0.00 C ATOM 58 C PHE A 4 43.231 51.339 26.472 1.00 0.00 C ATOM 59 O PHE A 4 42.975 50.245 26.970 1.00 0.00 O ATOM 60 CB PHE A 4 42.138 53.146 27.827 1.00 0.00 C ATOM 61 CG PHE A 4 41.141 54.271 27.965 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.235 55.409 27.154 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.135 54.196 28.935 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.326 56.462 27.304 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.229 55.251 29.093 1.00 0.00 C ATOM 66 CZ PHE A 4 39.322 56.385 28.277 1.00 0.00 C ATOM 0 H PHE A 4 40.373 51.527 26.859 1.00 0.00 H new ATOM 0 HA PHE A 4 42.499 53.174 25.705 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.914 52.394 28.584 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.130 53.537 28.051 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.014 55.474 26.408 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.058 53.321 29.564 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.399 57.333 26.670 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.457 55.190 29.846 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.621 57.198 28.398 1.00 0.00 H new ATOM 76 N VAL A 5 44.434 51.625 25.980 1.00 0.00 N ATOM 77 CA VAL A 5 45.580 50.739 26.028 1.00 0.00 C ATOM 78 C VAL A 5 46.747 51.438 26.726 1.00 0.00 C ATOM 79 O VAL A 5 47.152 52.519 26.304 1.00 0.00 O ATOM 80 CB VAL A 5 45.974 50.260 24.634 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.175 49.319 24.661 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.830 49.544 23.922 1.00 0.00 C ATOM 0 H VAL A 5 44.638 52.513 25.522 1.00 0.00 H new ATOM 0 HA VAL A 5 45.309 49.854 26.603 1.00 0.00 H new ATOM 0 HB VAL A 5 46.234 51.167 24.088 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.415 49.007 23.645 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.032 49.835 25.094 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.937 48.442 25.263 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.161 49.223 22.934 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.527 48.674 24.504 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.984 50.223 23.818 1.00 0.00 H new ATOM 92 N LYS A 6 47.300 50.814 27.762 1.00 0.00 N ATOM 93 CA LYS A 6 48.540 51.218 28.394 1.00 0.00 C ATOM 94 C LYS A 6 49.720 50.614 27.630 1.00 0.00 C ATOM 95 O LYS A 6 49.821 49.391 27.558 1.00 0.00 O ATOM 96 CB LYS A 6 48.566 50.782 29.856 1.00 0.00 C ATOM 97 CG LYS A 6 47.446 51.325 30.739 1.00 0.00 C ATOM 98 CD LYS A 6 47.386 52.850 30.763 1.00 0.00 C ATOM 99 CE LYS A 6 46.476 53.332 31.889 1.00 0.00 C ATOM 100 NZ LYS A 6 46.542 54.795 32.028 1.00 0.00 N ATOM 0 H LYS A 6 46.881 49.990 28.193 1.00 0.00 H new ATOM 0 HA LYS A 6 48.616 52.305 28.368 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.532 49.693 29.890 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.520 51.085 30.287 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.492 50.936 30.385 1.00 0.00 H new ATOM 0 HG3 LYS A 6 47.583 50.957 31.756 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.388 53.257 30.898 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.018 53.220 29.806 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.449 53.028 31.687 1.00 0.00 H new ATOM 0 HE3 LYS A 6 46.770 52.860 32.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 45.736 55.127 32.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.430 55.059 32.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.507 55.235 31.086 1.00 0.00 H new ATOM 168 N LYS A 11 52.101 54.980 28.885 1.00 0.00 N ATOM 169 CA LYS A 11 51.359 55.982 28.147 1.00 0.00 C ATOM 170 C LYS A 11 49.996 55.422 27.739 1.00 0.00 C ATOM 171 O LYS A 11 49.908 54.249 27.380 1.00 0.00 O ATOM 172 CB LYS A 11 52.196 56.397 26.940 1.00 0.00 C ATOM 173 CG LYS A 11 51.623 57.551 26.123 1.00 0.00 C ATOM 174 CD LYS A 11 52.459 57.873 24.888 1.00 0.00 C ATOM 175 CE LYS A 11 52.324 56.801 23.811 1.00 0.00 C ATOM 176 NZ LYS A 11 53.220 57.034 22.667 1.00 0.00 N ATOM 0 HA LYS A 11 51.170 56.862 28.761 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.191 56.676 27.286 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.316 55.533 26.286 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.608 57.303 25.814 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.557 58.438 26.753 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.150 58.836 24.482 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.506 57.969 25.174 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.541 55.825 24.245 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.292 56.771 23.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.771 56.682 21.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.405 58.053 22.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.117 56.532 22.821 1.00 0.00 H new ATOM 190 N THR A 12 48.942 56.234 27.755 1.00 0.00 N ATOM 191 CA THR A 12 47.637 55.820 27.282 1.00 0.00 C ATOM 192 C THR A 12 47.439 56.190 25.810 1.00 0.00 C ATOM 193 O THR A 12 47.535 57.363 25.456 1.00 0.00 O ATOM 194 CB THR A 12 46.505 56.394 28.129 1.00 0.00 C ATOM 195 OG1 THR A 12 46.640 55.935 29.456 1.00 0.00 O ATOM 196 CG2 THR A 12 45.132 55.920 27.660 1.00 0.00 C ATOM 0 H THR A 12 48.975 57.194 28.097 1.00 0.00 H new ATOM 0 HA THR A 12 47.601 54.735 27.378 1.00 0.00 H new ATOM 0 HB THR A 12 46.571 57.479 28.045 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.732 56.702 30.060 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.360 56.356 28.294 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.972 56.232 26.628 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.082 54.833 27.722 1.00 0.00 H new ATOM 204 N ILE A 13 47.070 55.207 24.995 1.00 0.00 N ATOM 205 CA ILE A 13 46.513 55.395 23.671 1.00 0.00 C ATOM 206 C ILE A 13 45.052 54.940 23.660 1.00 0.00 C ATOM 207 O ILE A 13 44.661 54.090 24.457 1.00 0.00 O ATOM 208 CB ILE A 13 47.375 54.752 22.590 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.427 53.231 22.693 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.770 55.370 22.611 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.259 52.541 21.616 1.00 0.00 C ATOM 0 H ILE A 13 47.156 54.224 25.253 1.00 0.00 H new ATOM 0 HA ILE A 13 46.519 56.457 23.424 1.00 0.00 H new ATOM 0 HB ILE A 13 46.908 54.960 21.627 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.829 52.961 23.670 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.409 52.844 22.649 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.384 54.909 21.838 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.696 56.441 22.425 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.228 55.202 23.586 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.235 51.463 21.773 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.848 52.774 20.634 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.289 52.893 21.671 1.00 0.00 H new ATOM 223 N THR A 14 44.238 55.504 22.772 1.00 0.00 N ATOM 224 CA THR A 14 42.813 55.250 22.700 1.00 0.00 C ATOM 225 C THR A 14 42.445 54.688 21.326 1.00 0.00 C ATOM 226 O THR A 14 42.751 55.312 20.312 1.00 0.00 O ATOM 227 CB THR A 14 42.002 56.514 22.975 1.00 0.00 C ATOM 228 OG1 THR A 14 42.417 57.129 24.174 1.00 0.00 O ATOM 229 CG2 THR A 14 40.513 56.219 23.125 1.00 0.00 C ATOM 0 H THR A 14 44.565 56.166 22.068 1.00 0.00 H new ATOM 0 HA THR A 14 42.569 54.518 23.470 1.00 0.00 H new ATOM 0 HB THR A 14 42.170 57.166 22.118 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.885 57.937 24.328 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.976 57.147 23.320 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.137 55.768 22.207 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.360 55.531 23.956 1.00 0.00 H new ATOM 237 N LEU A 15 41.782 53.535 21.285 1.00 0.00 N ATOM 238 CA LEU A 15 41.386 52.857 20.068 1.00 0.00 C ATOM 239 C LEU A 15 39.870 52.905 19.862 1.00 0.00 C ATOM 240 O LEU A 15 39.114 52.820 20.827 1.00 0.00 O ATOM 241 CB LEU A 15 41.886 51.415 20.087 1.00 0.00 C ATOM 242 CG LEU A 15 43.379 51.223 20.332 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.701 49.732 20.297 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.259 51.915 19.295 1.00 0.00 C ATOM 0 H LEU A 15 41.500 53.036 22.129 1.00 0.00 H new ATOM 0 HA LEU A 15 41.842 53.379 19.227 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.340 50.873 20.859 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.633 50.952 19.133 1.00 0.00 H new ATOM 0 HG LEU A 15 43.594 51.670 21.302 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.767 49.586 20.471 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.133 49.219 21.073 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.434 49.325 19.322 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.308 51.737 19.531 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.037 51.516 18.305 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.061 52.987 19.307 1.00 0.00 H new ATOM 256 N GLU A 16 39.436 52.982 18.607 1.00 0.00 N ATOM 257 CA GLU A 16 38.046 52.902 18.203 1.00 0.00 C ATOM 258 C GLU A 16 37.737 51.494 17.692 1.00 0.00 C ATOM 259 O GLU A 16 38.379 51.020 16.758 1.00 0.00 O ATOM 260 CB GLU A 16 37.778 53.986 17.162 1.00 0.00 C ATOM 261 CG GLU A 16 36.341 54.063 16.653 1.00 0.00 C ATOM 262 CD GLU A 16 35.311 54.355 17.746 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.431 55.394 18.430 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.350 53.570 17.898 1.00 0.00 O ATOM 0 H GLU A 16 40.071 53.106 17.818 1.00 0.00 H new ATOM 0 HA GLU A 16 37.380 53.080 19.048 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.046 54.952 17.590 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.439 53.820 16.311 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.277 54.839 15.891 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.086 53.120 16.170 1.00 0.00 H new ATOM 271 N VAL A 17 36.791 50.809 18.328 1.00 0.00 N ATOM 272 CA VAL A 17 36.483 49.409 18.109 1.00 0.00 C ATOM 273 C VAL A 17 34.983 49.124 18.211 1.00 0.00 C ATOM 274 O VAL A 17 34.243 49.907 18.803 1.00 0.00 O ATOM 275 CB VAL A 17 37.240 48.519 19.092 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.754 48.593 18.921 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.897 48.829 20.546 1.00 0.00 C ATOM 0 H VAL A 17 36.197 51.237 19.038 1.00 0.00 H new ATOM 0 HA VAL A 17 36.804 49.178 17.093 1.00 0.00 H new ATOM 0 HB VAL A 17 36.911 47.508 18.853 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.235 47.939 19.648 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.022 48.275 17.914 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.088 49.618 19.079 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.463 48.168 21.202 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.153 49.865 20.767 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.830 48.676 20.709 1.00 0.00 H new ATOM 287 N GLU A 18 34.544 47.966 17.727 1.00 0.00 N ATOM 288 CA GLU A 18 33.247 47.394 18.031 1.00 0.00 C ATOM 289 C GLU A 18 33.393 46.097 18.829 1.00 0.00 C ATOM 290 O GLU A 18 34.420 45.433 18.703 1.00 0.00 O ATOM 291 CB GLU A 18 32.447 47.154 16.753 1.00 0.00 C ATOM 292 CG GLU A 18 32.163 48.388 15.900 1.00 0.00 C ATOM 293 CD GLU A 18 31.210 49.378 16.571 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.985 49.130 16.607 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.659 50.440 17.054 1.00 0.00 O ATOM 0 H GLU A 18 35.099 47.388 17.096 1.00 0.00 H new ATOM 0 HA GLU A 18 32.701 48.109 18.646 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.985 46.430 16.141 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.495 46.697 17.024 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.103 48.892 15.678 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.738 48.073 14.947 1.00 0.00 H new ATOM 302 N PRO A 19 32.413 45.663 19.617 1.00 0.00 N ATOM 303 CA PRO A 19 32.458 44.415 20.351 1.00 0.00 C ATOM 304 C PRO A 19 32.801 43.151 19.562 1.00 0.00 C ATOM 305 O PRO A 19 33.374 42.230 20.139 1.00 0.00 O ATOM 306 CB PRO A 19 31.090 44.282 21.012 1.00 0.00 C ATOM 307 CG PRO A 19 30.695 45.735 21.259 1.00 0.00 C ATOM 308 CD PRO A 19 31.266 46.444 20.034 1.00 0.00 C ATOM 0 HA PRO A 19 33.292 44.477 21.050 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.376 43.772 20.365 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.142 43.713 21.940 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.614 45.855 21.331 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.121 46.120 22.186 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.525 46.504 19.237 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.557 47.466 20.276 1.00 0.00 H new ATOM 316 N SER A 20 32.501 43.096 18.266 1.00 0.00 N ATOM 317 CA SER A 20 32.871 42.021 17.368 1.00 0.00 C ATOM 318 C SER A 20 34.217 42.192 16.661 1.00 0.00 C ATOM 319 O SER A 20 34.529 41.400 15.774 1.00 0.00 O ATOM 320 CB SER A 20 31.756 41.729 16.368 1.00 0.00 C ATOM 321 OG SER A 20 30.624 41.164 16.991 1.00 0.00 O ATOM 0 H SER A 20 31.971 43.833 17.801 1.00 0.00 H new ATOM 0 HA SER A 20 33.010 41.157 18.017 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.470 42.652 15.864 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.126 41.048 15.601 1.00 0.00 H new ATOM 0 HG SER A 20 29.932 40.993 16.319 1.00 0.00 H new ATOM 327 N ASP A 21 35.050 43.171 17.003 1.00 0.00 N ATOM 328 CA ASP A 21 36.438 43.173 16.587 1.00 0.00 C ATOM 329 C ASP A 21 37.234 42.082 17.305 1.00 0.00 C ATOM 330 O ASP A 21 36.957 41.770 18.460 1.00 0.00 O ATOM 331 CB ASP A 21 37.096 44.532 16.806 1.00 0.00 C ATOM 332 CG ASP A 21 36.910 45.463 15.606 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.484 45.153 14.539 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.251 46.518 15.727 1.00 0.00 O ATOM 0 H ASP A 21 34.780 43.975 17.570 1.00 0.00 H new ATOM 0 HA ASP A 21 36.445 42.964 15.517 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.674 44.999 17.695 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.161 44.393 16.994 1.00 0.00 H new ATOM 339 N THR A 22 38.244 41.524 16.643 1.00 0.00 N ATOM 340 CA THR A 22 39.129 40.522 17.202 1.00 0.00 C ATOM 341 C THR A 22 40.494 41.079 17.612 1.00 0.00 C ATOM 342 O THR A 22 40.877 42.177 17.215 1.00 0.00 O ATOM 343 CB THR A 22 39.293 39.309 16.291 1.00 0.00 C ATOM 344 OG1 THR A 22 39.955 39.654 15.095 1.00 0.00 O ATOM 345 CG2 THR A 22 37.971 38.649 15.910 1.00 0.00 C ATOM 0 H THR A 22 38.470 41.767 15.678 1.00 0.00 H new ATOM 0 HA THR A 22 38.633 40.190 18.114 1.00 0.00 H new ATOM 0 HB THR A 22 39.881 38.601 16.875 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.293 38.842 14.662 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.165 37.794 15.262 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.459 38.312 16.812 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.343 39.368 15.384 1.00 0.00 H new ATOM 353 N ILE A 23 41.248 40.320 18.403 1.00 0.00 N ATOM 354 CA ILE A 23 42.525 40.729 18.952 1.00 0.00 C ATOM 355 C ILE A 23 43.537 41.061 17.853 1.00 0.00 C ATOM 356 O ILE A 23 44.304 42.012 17.987 1.00 0.00 O ATOM 357 CB ILE A 23 43.038 39.671 19.925 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.027 39.298 21.005 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.339 40.107 20.593 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.368 40.455 21.751 1.00 0.00 C ATOM 0 H ILE A 23 40.974 39.378 18.684 1.00 0.00 H new ATOM 0 HA ILE A 23 42.384 41.653 19.512 1.00 0.00 H new ATOM 0 HB ILE A 23 43.214 38.786 19.313 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.242 38.698 20.545 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.527 38.662 21.735 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.674 39.329 21.279 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.101 40.273 19.832 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.172 41.031 21.146 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.671 40.061 22.491 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.133 41.048 22.252 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.828 41.084 21.043 1.00 0.00 H new ATOM 372 N GLU A 24 43.483 40.373 16.717 1.00 0.00 N ATOM 373 CA GLU A 24 44.288 40.649 15.544 1.00 0.00 C ATOM 374 C GLU A 24 44.086 42.067 15.006 1.00 0.00 C ATOM 375 O GLU A 24 45.045 42.692 14.557 1.00 0.00 O ATOM 376 CB GLU A 24 43.995 39.660 14.418 1.00 0.00 C ATOM 377 CG GLU A 24 43.902 38.184 14.796 1.00 0.00 C ATOM 378 CD GLU A 24 42.500 37.828 15.292 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.284 37.831 16.523 1.00 0.00 O ATOM 380 OE2 GLU A 24 41.587 37.656 14.455 1.00 0.00 O ATOM 0 H GLU A 24 42.853 39.581 16.589 1.00 0.00 H new ATOM 0 HA GLU A 24 45.322 40.545 15.873 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.054 39.949 13.950 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.773 39.767 13.662 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.152 37.568 13.932 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.634 37.958 15.572 1.00 0.00 H new ATOM 387 N ASN A 25 42.870 42.598 15.087 1.00 0.00 N ATOM 388 CA ASN A 25 42.560 43.955 14.684 1.00 0.00 C ATOM 389 C ASN A 25 43.069 44.979 15.702 1.00 0.00 C ATOM 390 O ASN A 25 43.613 46.010 15.313 1.00 0.00 O ATOM 391 CB ASN A 25 41.057 44.132 14.491 1.00 0.00 C ATOM 392 CG ASN A 25 40.420 43.285 13.385 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.071 42.765 12.482 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.095 43.184 13.418 1.00 0.00 N ATOM 0 H ASN A 25 42.063 42.085 15.441 1.00 0.00 H new ATOM 0 HA ASN A 25 43.069 44.131 13.736 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.559 43.899 15.432 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.859 45.182 14.277 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.604 42.669 12.687 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.569 43.621 14.174 1.00 0.00 H new ATOM 401 N VAL A 26 42.951 44.691 16.994 1.00 0.00 N ATOM 402 CA VAL A 26 43.492 45.525 18.049 1.00 0.00 C ATOM 403 C VAL A 26 45.003 45.682 17.867 1.00 0.00 C ATOM 404 O VAL A 26 45.503 46.804 17.841 1.00 0.00 O ATOM 405 CB VAL A 26 43.170 44.963 19.430 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.713 45.845 20.550 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.667 44.821 19.655 1.00 0.00 C ATOM 0 H VAL A 26 42.470 43.860 17.337 1.00 0.00 H new ATOM 0 HA VAL A 26 43.022 46.506 17.981 1.00 0.00 H new ATOM 0 HB VAL A 26 43.649 43.984 19.457 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.460 45.405 21.515 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.797 45.922 20.460 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.271 46.839 20.477 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.485 44.417 20.651 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.192 45.798 19.567 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.249 44.146 18.908 1.00 0.00 H new ATOM 417 N LYS A 27 45.711 44.581 17.632 1.00 0.00 N ATOM 418 CA LYS A 27 47.129 44.595 17.333 1.00 0.00 C ATOM 419 C LYS A 27 47.460 45.417 16.087 1.00 0.00 C ATOM 420 O LYS A 27 48.448 46.148 16.086 1.00 0.00 O ATOM 421 CB LYS A 27 47.657 43.171 17.181 1.00 0.00 C ATOM 422 CG LYS A 27 47.689 42.334 18.455 1.00 0.00 C ATOM 423 CD LYS A 27 48.129 40.910 18.124 1.00 0.00 C ATOM 424 CE LYS A 27 48.330 40.056 19.372 1.00 0.00 C ATOM 425 NZ LYS A 27 48.703 38.680 19.008 1.00 0.00 N ATOM 0 H LYS A 27 45.306 43.645 17.645 1.00 0.00 H new ATOM 0 HA LYS A 27 47.624 45.077 18.176 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.043 42.653 16.444 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.668 43.220 16.776 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.375 42.778 19.176 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.703 42.322 18.918 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.381 40.442 17.484 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.059 40.943 17.557 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.107 40.495 19.997 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.414 40.045 19.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.818 38.112 19.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.956 38.263 18.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.598 38.691 18.479 1.00 0.00 H new ATOM 439 N ALA A 28 46.641 45.336 15.041 1.00 0.00 N ATOM 440 CA ALA A 28 46.837 46.090 13.819 1.00 0.00 C ATOM 441 C ALA A 28 46.644 47.598 13.995 1.00 0.00 C ATOM 442 O ALA A 28 47.417 48.367 13.426 1.00 0.00 O ATOM 443 CB ALA A 28 45.929 45.521 12.733 1.00 0.00 C ATOM 0 H ALA A 28 45.816 44.737 15.024 1.00 0.00 H new ATOM 0 HA ALA A 28 47.879 45.978 13.519 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.070 46.083 11.810 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.178 44.474 12.562 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.889 45.600 13.050 1.00 0.00 H new ATOM 449 N LYS A 29 45.704 48.056 14.816 1.00 0.00 N ATOM 450 CA LYS A 29 45.562 49.464 15.130 1.00 0.00 C ATOM 451 C LYS A 29 46.704 49.986 16.004 1.00 0.00 C ATOM 452 O LYS A 29 47.177 51.098 15.782 1.00 0.00 O ATOM 453 CB LYS A 29 44.195 49.776 15.731 1.00 0.00 C ATOM 454 CG LYS A 29 43.060 49.497 14.750 1.00 0.00 C ATOM 455 CD LYS A 29 41.775 50.240 15.104 1.00 0.00 C ATOM 456 CE LYS A 29 40.711 49.880 14.071 1.00 0.00 C ATOM 457 NZ LYS A 29 39.472 50.654 14.247 1.00 0.00 N ATOM 0 H LYS A 29 45.021 47.457 15.280 1.00 0.00 H new ATOM 0 HA LYS A 29 45.627 50.002 14.184 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.050 49.179 16.631 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.163 50.823 16.034 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.375 49.783 13.747 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.860 48.426 14.728 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.441 49.965 16.104 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.949 51.316 15.111 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.106 50.055 13.070 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.485 48.816 14.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.697 50.191 13.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.234 50.703 15.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.608 51.616 13.876 1.00 0.00 H new ATOM 471 N ILE A 30 47.236 49.170 16.909 1.00 0.00 N ATOM 472 CA ILE A 30 48.425 49.483 17.675 1.00 0.00 C ATOM 473 C ILE A 30 49.658 49.596 16.776 1.00 0.00 C ATOM 474 O ILE A 30 50.477 50.489 16.979 1.00 0.00 O ATOM 475 CB ILE A 30 48.597 48.488 18.820 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.470 48.637 19.838 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.942 48.651 19.521 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.386 47.512 20.865 1.00 0.00 C ATOM 0 H ILE A 30 46.841 48.256 17.130 1.00 0.00 H new ATOM 0 HA ILE A 30 48.304 50.467 18.129 1.00 0.00 H new ATOM 0 HB ILE A 30 48.561 47.491 18.381 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.597 49.583 20.365 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.522 48.695 19.304 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.022 47.923 20.329 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.748 48.488 18.805 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.019 49.658 19.931 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.557 47.703 21.546 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.224 46.563 20.353 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.317 47.465 21.430 1.00 0.00 H new ATOM 490 N GLN A 31 49.770 48.785 15.728 1.00 0.00 N ATOM 491 CA GLN A 31 50.808 48.916 14.727 1.00 0.00 C ATOM 492 C GLN A 31 50.718 50.239 13.963 1.00 0.00 C ATOM 493 O GLN A 31 51.755 50.830 13.671 1.00 0.00 O ATOM 494 CB GLN A 31 50.761 47.706 13.797 1.00 0.00 C ATOM 495 CG GLN A 31 51.791 47.764 12.672 1.00 0.00 C ATOM 496 CD GLN A 31 51.730 46.553 11.739 1.00 0.00 C ATOM 497 OE1 GLN A 31 52.607 45.692 11.743 1.00 0.00 O ATOM 498 NE2 GLN A 31 50.711 46.436 10.892 1.00 0.00 N ATOM 0 H GLN A 31 49.130 48.010 15.554 1.00 0.00 H new ATOM 0 HA GLN A 31 51.776 48.938 15.228 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.924 46.801 14.382 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.764 47.630 13.363 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.633 48.672 12.090 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.789 47.832 13.105 1.00 0.00 H new ATOM 0 HE21 GLN A 31 49.976 47.143 10.878 1.00 0.00 H new ATOM 0 HE22 GLN A 31 50.665 45.639 10.257 1.00 0.00 H new ATOM 507 N ASP A 32 49.523 50.741 13.665 1.00 0.00 N ATOM 508 CA ASP A 32 49.321 52.010 12.995 1.00 0.00 C ATOM 509 C ASP A 32 49.593 53.221 13.890 1.00 0.00 C ATOM 510 O ASP A 32 50.205 54.190 13.444 1.00 0.00 O ATOM 511 CB ASP A 32 47.908 52.025 12.421 1.00 0.00 C ATOM 512 CG ASP A 32 47.576 53.311 11.661 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.283 53.635 10.682 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.608 54.006 12.036 1.00 0.00 O ATOM 0 H ASP A 32 48.652 50.261 13.890 1.00 0.00 H new ATOM 0 HA ASP A 32 50.051 52.099 12.191 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.787 51.174 11.751 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.192 51.896 13.233 1.00 0.00 H new ATOM 519 N LYS A 33 49.147 53.186 15.142 1.00 0.00 N ATOM 520 CA LYS A 33 49.222 54.296 16.070 1.00 0.00 C ATOM 521 C LYS A 33 50.504 54.383 16.902 1.00 0.00 C ATOM 522 O LYS A 33 50.869 55.485 17.304 1.00 0.00 O ATOM 523 CB LYS A 33 47.987 54.282 16.966 1.00 0.00 C ATOM 524 CG LYS A 33 46.806 54.905 16.227 1.00 0.00 C ATOM 525 CD LYS A 33 45.535 54.963 17.068 1.00 0.00 C ATOM 526 CE LYS A 33 44.421 55.686 16.317 1.00 0.00 C ATOM 527 NZ LYS A 33 44.643 57.135 16.198 1.00 0.00 N ATOM 0 H LYS A 33 48.711 52.357 15.545 1.00 0.00 H new ATOM 0 HA LYS A 33 49.252 55.196 15.456 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.748 53.259 17.256 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.186 54.835 17.884 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.073 55.914 15.914 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.609 54.332 15.321 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.214 53.952 17.320 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.739 55.476 18.008 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.327 55.257 15.319 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.475 55.512 16.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.794 57.585 15.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.839 57.535 17.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.454 57.312 15.571 1.00 0.00 H new ATOM 541 N GLU A 34 51.177 53.268 17.168 1.00 0.00 N ATOM 542 CA GLU A 34 52.322 53.183 18.053 1.00 0.00 C ATOM 543 C GLU A 34 53.503 52.427 17.442 1.00 0.00 C ATOM 544 O GLU A 34 54.602 52.450 17.992 1.00 0.00 O ATOM 545 CB GLU A 34 51.841 52.586 19.371 1.00 0.00 C ATOM 546 CG GLU A 34 52.753 52.813 20.574 1.00 0.00 C ATOM 547 CD GLU A 34 52.999 54.285 20.909 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.054 55.101 20.968 1.00 0.00 O ATOM 549 OE2 GLU A 34 54.157 54.655 21.197 1.00 0.00 O ATOM 0 H GLU A 34 50.927 52.369 16.756 1.00 0.00 H new ATOM 0 HA GLU A 34 52.724 54.181 18.229 1.00 0.00 H new ATOM 0 HB2 GLU A 34 50.859 53.001 19.599 1.00 0.00 H new ATOM 0 HB3 GLU A 34 51.710 51.512 19.236 1.00 0.00 H new ATOM 0 HG2 GLU A 34 52.316 52.323 21.444 1.00 0.00 H new ATOM 0 HG3 GLU A 34 53.712 52.331 20.384 1.00 0.00 H new ATOM 556 N GLY A 35 53.337 51.792 16.286 1.00 0.00 N ATOM 557 CA GLY A 35 54.427 51.311 15.461 1.00 0.00 C ATOM 558 C GLY A 35 55.049 49.964 15.834 1.00 0.00 C ATOM 559 O GLY A 35 55.987 49.542 15.162 1.00 0.00 O ATOM 0 H GLY A 35 52.417 51.596 15.892 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.068 51.244 14.434 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.217 52.062 15.474 1.00 0.00 H new ATOM 563 N ILE A 36 54.553 49.275 16.858 1.00 0.00 N ATOM 564 CA ILE A 36 55.036 47.968 17.258 1.00 0.00 C ATOM 565 C ILE A 36 54.325 46.860 16.478 1.00 0.00 C ATOM 566 O ILE A 36 53.097 46.834 16.474 1.00 0.00 O ATOM 567 CB ILE A 36 54.985 47.805 18.774 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.557 46.452 19.188 1.00 0.00 C ATOM 569 CG2 ILE A 36 53.605 48.056 19.376 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.794 46.285 20.685 1.00 0.00 C ATOM 0 H ILE A 36 53.790 49.621 17.440 1.00 0.00 H new ATOM 0 HA ILE A 36 56.090 47.878 16.994 1.00 0.00 H new ATOM 0 HB ILE A 36 55.617 48.589 19.192 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.877 45.669 18.853 1.00 0.00 H new ATOM 0 HG13 ILE A 36 56.502 46.298 18.666 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.649 47.921 20.457 1.00 0.00 H new ATOM 0 HG22 ILE A 36 53.289 49.075 19.150 1.00 0.00 H new ATOM 0 HG23 ILE A 36 52.889 47.352 18.952 1.00 0.00 H new ATOM 0 HD11 ILE A 36 56.201 45.293 20.881 1.00 0.00 H new ATOM 0 HD12 ILE A 36 56.500 47.041 21.028 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.850 46.402 21.218 1.00 0.00 H new ATOM 582 N PRO A 37 55.027 45.936 15.829 1.00 0.00 N ATOM 583 CA PRO A 37 54.412 44.849 15.093 1.00 0.00 C ATOM 584 C PRO A 37 53.512 43.949 15.941 1.00 0.00 C ATOM 585 O PRO A 37 53.872 43.679 17.085 1.00 0.00 O ATOM 586 CB PRO A 37 55.557 44.028 14.507 1.00 0.00 C ATOM 587 CG PRO A 37 56.671 45.061 14.353 1.00 0.00 C ATOM 588 CD PRO A 37 56.456 45.932 15.588 1.00 0.00 C ATOM 0 HA PRO A 37 53.755 45.271 14.333 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.850 43.213 15.169 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.286 43.580 13.551 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.659 44.600 14.344 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.576 45.631 13.429 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.996 45.532 16.446 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.827 46.943 15.422 1.00 0.00 H new ATOM 596 N PRO A 38 52.408 43.421 15.422 1.00 0.00 N ATOM 597 CA PRO A 38 51.520 42.518 16.127 1.00 0.00 C ATOM 598 C PRO A 38 52.217 41.336 16.803 1.00 0.00 C ATOM 599 O PRO A 38 51.883 40.963 17.925 1.00 0.00 O ATOM 600 CB PRO A 38 50.547 42.020 15.061 1.00 0.00 C ATOM 601 CG PRO A 38 50.420 43.219 14.124 1.00 0.00 C ATOM 602 CD PRO A 38 51.856 43.735 14.120 1.00 0.00 C ATOM 0 HA PRO A 38 51.041 43.046 16.952 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.931 41.142 14.543 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.585 41.741 15.491 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.082 42.931 13.129 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.715 43.962 14.497 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.436 43.262 13.328 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.882 44.809 13.936 1.00 0.00 H new ATOM 610 N ASP A 39 53.237 40.781 16.153 1.00 0.00 N ATOM 611 CA ASP A 39 54.047 39.675 16.621 1.00 0.00 C ATOM 612 C ASP A 39 55.022 40.026 17.746 1.00 0.00 C ATOM 613 O ASP A 39 55.568 39.122 18.374 1.00 0.00 O ATOM 614 CB ASP A 39 54.740 39.072 15.404 1.00 0.00 C ATOM 615 CG ASP A 39 55.436 40.148 14.568 1.00 0.00 C ATOM 616 OD1 ASP A 39 54.794 40.698 13.646 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.589 40.496 14.900 1.00 0.00 O ATOM 0 H ASP A 39 53.531 41.114 15.235 1.00 0.00 H new ATOM 0 HA ASP A 39 53.393 38.942 17.094 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.471 38.332 15.729 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.008 38.548 14.789 1.00 0.00 H new ATOM 622 N GLN A 40 55.221 41.303 18.061 1.00 0.00 N ATOM 623 CA GLN A 40 55.953 41.781 19.217 1.00 0.00 C ATOM 624 C GLN A 40 55.048 42.320 20.327 1.00 0.00 C ATOM 625 O GLN A 40 55.540 42.756 21.366 1.00 0.00 O ATOM 626 CB GLN A 40 57.010 42.798 18.796 1.00 0.00 C ATOM 627 CG GLN A 40 58.136 42.159 17.988 1.00 0.00 C ATOM 628 CD GLN A 40 59.258 43.152 17.680 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.225 43.869 16.682 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.296 43.250 18.506 1.00 0.00 N ATOM 0 H GLN A 40 54.857 42.063 17.487 1.00 0.00 H new ATOM 0 HA GLN A 40 56.458 40.919 19.653 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.540 43.583 18.203 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.427 43.274 19.683 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.543 41.313 18.541 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.734 41.766 17.054 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.342 42.664 19.339 1.00 0.00 H new ATOM 0 HE22 GLN A 40 61.046 43.911 18.306 1.00 0.00 H new ATOM 639 N GLN A 41 53.730 42.259 20.161 1.00 0.00 N ATOM 640 CA GLN A 41 52.755 42.654 21.157 1.00 0.00 C ATOM 641 C GLN A 41 52.233 41.451 21.945 1.00 0.00 C ATOM 642 O GLN A 41 51.950 40.407 21.360 1.00 0.00 O ATOM 643 CB GLN A 41 51.580 43.360 20.486 1.00 0.00 C ATOM 644 CG GLN A 41 51.908 44.671 19.777 1.00 0.00 C ATOM 645 CD GLN A 41 50.681 45.210 19.040 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.563 45.154 19.548 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.814 45.737 17.826 1.00 0.00 N ATOM 0 H GLN A 41 53.303 41.921 19.298 1.00 0.00 H new ATOM 0 HA GLN A 41 53.252 43.331 21.852 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.137 42.678 19.760 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.820 43.558 21.242 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.254 45.406 20.504 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.723 44.514 19.070 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.735 45.790 17.391 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.995 46.088 17.330 1.00 0.00 H new ATOM 656 N ARG A 42 52.019 41.606 23.248 1.00 0.00 N ATOM 657 CA ARG A 42 51.245 40.711 24.085 1.00 0.00 C ATOM 658 C ARG A 42 50.232 41.544 24.871 1.00 0.00 C ATOM 659 O ARG A 42 50.611 42.556 25.458 1.00 0.00 O ATOM 660 CB ARG A 42 52.210 39.894 24.938 1.00 0.00 C ATOM 661 CG ARG A 42 51.552 39.015 25.999 1.00 0.00 C ATOM 662 CD ARG A 42 52.609 38.211 26.750 1.00 0.00 C ATOM 663 NE ARG A 42 52.002 37.359 27.774 1.00 0.00 N ATOM 664 CZ ARG A 42 51.981 37.542 29.101 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.679 38.506 29.715 1.00 0.00 N ATOM 666 NH2 ARG A 42 51.232 36.746 29.875 1.00 0.00 N ATOM 0 H ARG A 42 52.400 42.397 23.768 1.00 0.00 H new ATOM 0 HA ARG A 42 50.663 39.988 23.513 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.804 39.260 24.280 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.901 40.577 25.432 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.992 39.635 26.699 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.837 38.339 25.529 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.168 37.595 26.046 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.323 38.890 27.216 1.00 0.00 H new ATOM 0 HE ARG A 42 51.535 36.518 27.434 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.260 39.142 29.169 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.630 38.604 30.729 1.00 0.00 H new ATOM 0 HH21 ARG A 42 50.678 36.000 29.454 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.216 36.885 30.885 1.00 0.00 H new ATOM 680 N LEU A 43 48.955 41.174 24.843 1.00 0.00 N ATOM 681 CA LEU A 43 47.871 41.993 25.349 1.00 0.00 C ATOM 682 C LEU A 43 47.160 41.316 26.523 1.00 0.00 C ATOM 683 O LEU A 43 46.768 40.156 26.427 1.00 0.00 O ATOM 684 CB LEU A 43 46.911 42.338 24.214 1.00 0.00 C ATOM 685 CG LEU A 43 47.506 43.069 23.014 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.430 43.325 21.962 1.00 0.00 C ATOM 687 CD2 LEU A 43 48.104 44.421 23.391 1.00 0.00 C ATOM 0 H LEU A 43 48.645 40.281 24.461 1.00 0.00 H new ATOM 0 HA LEU A 43 48.283 42.924 25.737 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.457 41.413 23.859 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.107 42.951 24.622 1.00 0.00 H new ATOM 0 HG LEU A 43 48.295 42.424 22.628 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.869 43.847 21.112 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.014 42.374 21.628 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.638 43.937 22.393 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.513 44.899 22.501 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.328 45.056 23.819 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.899 44.276 24.123 1.00 0.00 H new ATOM 699 N ILE A 44 46.992 42.042 27.623 1.00 0.00 N ATOM 700 CA ILE A 44 46.478 41.550 28.887 1.00 0.00 C ATOM 701 C ILE A 44 45.278 42.381 29.347 1.00 0.00 C ATOM 702 O ILE A 44 45.373 43.600 29.463 1.00 0.00 O ATOM 703 CB ILE A 44 47.555 41.546 29.966 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.914 40.988 29.553 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.069 40.827 31.221 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.950 39.515 29.154 1.00 0.00 C ATOM 0 H ILE A 44 47.223 43.035 27.654 1.00 0.00 H new ATOM 0 HA ILE A 44 46.154 40.522 28.727 1.00 0.00 H new ATOM 0 HB ILE A 44 47.726 42.604 30.164 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.285 41.578 28.715 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.609 41.135 30.379 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.856 40.838 31.975 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.186 41.333 31.611 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.817 39.795 30.975 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.968 39.237 28.882 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.618 38.903 29.993 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.289 39.352 28.302 1.00 0.00 H new ATOM 718 N PHE A 45 44.169 41.725 29.680 1.00 0.00 N ATOM 719 CA PHE A 45 42.969 42.340 30.209 1.00 0.00 C ATOM 720 C PHE A 45 42.476 41.615 31.464 1.00 0.00 C ATOM 721 O PHE A 45 42.321 40.396 31.447 1.00 0.00 O ATOM 722 CB PHE A 45 41.882 42.347 29.138 1.00 0.00 C ATOM 723 CG PHE A 45 40.558 42.891 29.616 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.438 44.255 29.908 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.460 42.042 29.803 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.233 44.767 30.406 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.248 42.559 30.278 1.00 0.00 C ATOM 728 CZ PHE A 45 38.133 43.920 30.586 1.00 0.00 C ATOM 0 H PHE A 45 44.085 40.713 29.583 1.00 0.00 H new ATOM 0 HA PHE A 45 43.205 43.366 30.493 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.224 42.942 28.291 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.736 41.330 28.775 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.278 44.915 29.749 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.548 40.989 29.581 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.153 45.816 30.651 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.398 41.905 30.407 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.200 44.315 30.961 1.00 0.00 H new ATOM 738 N ALA A 46 42.217 42.346 32.544 1.00 0.00 N ATOM 739 CA ALA A 46 41.784 41.820 33.823 1.00 0.00 C ATOM 740 C ALA A 46 42.608 40.628 34.313 1.00 0.00 C ATOM 741 O ALA A 46 42.080 39.665 34.864 1.00 0.00 O ATOM 742 CB ALA A 46 40.277 41.585 33.770 1.00 0.00 C ATOM 0 H ALA A 46 42.309 43.362 32.546 1.00 0.00 H new ATOM 0 HA ALA A 46 41.979 42.561 34.599 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.937 41.189 34.727 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.769 42.527 33.566 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.048 40.871 32.979 1.00 0.00 H new ATOM 748 N GLY A 47 43.916 40.660 34.068 1.00 0.00 N ATOM 749 CA GLY A 47 44.875 39.612 34.346 1.00 0.00 C ATOM 750 C GLY A 47 44.964 38.474 33.326 1.00 0.00 C ATOM 751 O GLY A 47 45.942 37.732 33.353 1.00 0.00 O ATOM 0 H GLY A 47 44.355 41.476 33.642 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.861 40.068 34.434 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.635 39.180 35.318 1.00 0.00 H new ATOM 755 N LYS A 48 44.013 38.337 32.407 1.00 0.00 N ATOM 756 CA LYS A 48 43.961 37.299 31.396 1.00 0.00 C ATOM 757 C LYS A 48 44.758 37.689 30.150 1.00 0.00 C ATOM 758 O LYS A 48 44.624 38.814 29.675 1.00 0.00 O ATOM 759 CB LYS A 48 42.517 37.014 30.993 1.00 0.00 C ATOM 760 CG LYS A 48 41.593 36.607 32.137 1.00 0.00 C ATOM 761 CD LYS A 48 40.219 36.182 31.624 1.00 0.00 C ATOM 762 CE LYS A 48 39.318 35.751 32.778 1.00 0.00 C ATOM 763 NZ LYS A 48 37.997 35.296 32.317 1.00 0.00 N ATOM 0 H LYS A 48 43.223 38.979 32.349 1.00 0.00 H new ATOM 0 HA LYS A 48 44.405 36.404 31.831 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.107 37.904 30.515 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.515 36.221 30.245 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.044 35.786 32.695 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.482 37.441 32.830 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.756 37.008 31.084 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.329 35.360 30.916 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.803 34.948 33.334 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.192 36.585 33.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.422 35.014 33.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.521 36.069 31.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.113 34.483 31.679 1.00 0.00 H new ATOM 777 N GLN A 49 45.521 36.767 29.568 1.00 0.00 N ATOM 778 CA GLN A 49 46.061 36.939 28.234 1.00 0.00 C ATOM 779 C GLN A 49 44.949 36.911 27.184 1.00 0.00 C ATOM 780 O GLN A 49 44.127 35.996 27.175 1.00 0.00 O ATOM 781 CB GLN A 49 47.132 35.888 27.955 1.00 0.00 C ATOM 782 CG GLN A 49 47.694 35.970 26.539 1.00 0.00 C ATOM 783 CD GLN A 49 48.994 35.176 26.393 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.085 35.692 26.627 1.00 0.00 O ATOM 785 NE2 GLN A 49 48.967 33.910 25.985 1.00 0.00 N ATOM 0 H GLN A 49 45.778 35.885 30.011 1.00 0.00 H new ATOM 0 HA GLN A 49 46.533 37.919 28.173 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.946 36.008 28.670 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.710 34.896 28.115 1.00 0.00 H new ATOM 0 HG2 GLN A 49 46.956 35.590 25.833 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.875 37.013 26.280 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.075 33.458 25.784 1.00 0.00 H new ATOM 0 HE22 GLN A 49 49.838 33.392 25.873 1.00 0.00 H new ATOM 794 N LEU A 50 44.954 37.883 26.277 1.00 0.00 N ATOM 795 CA LEU A 50 44.062 37.945 25.137 1.00 0.00 C ATOM 796 C LEU A 50 44.635 37.127 23.978 1.00 0.00 C ATOM 797 O LEU A 50 45.651 37.502 23.395 1.00 0.00 O ATOM 798 CB LEU A 50 43.843 39.403 24.745 1.00 0.00 C ATOM 799 CG LEU A 50 43.187 40.279 25.808 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.090 41.719 25.313 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.774 39.803 26.135 1.00 0.00 C ATOM 0 H LEU A 50 45.601 38.671 26.322 1.00 0.00 H new ATOM 0 HA LEU A 50 43.096 37.513 25.397 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.807 39.839 24.484 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.227 39.431 23.846 1.00 0.00 H new ATOM 0 HG LEU A 50 43.807 40.215 26.702 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.620 42.336 26.079 1.00 0.00 H new ATOM 0 HD12 LEU A 50 44.090 42.100 25.103 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.491 41.751 24.403 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.339 40.451 26.896 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.161 39.838 25.235 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.812 38.780 26.509 1.00 0.00 H new ATOM 813 N GLU A 51 44.000 36.002 23.666 1.00 0.00 N ATOM 814 CA GLU A 51 44.389 35.105 22.596 1.00 0.00 C ATOM 815 C GLU A 51 43.775 35.479 21.246 1.00 0.00 C ATOM 816 O GLU A 51 42.747 36.145 21.148 1.00 0.00 O ATOM 817 CB GLU A 51 44.062 33.658 22.950 1.00 0.00 C ATOM 818 CG GLU A 51 44.740 33.135 24.213 1.00 0.00 C ATOM 819 CD GLU A 51 46.250 32.919 24.116 1.00 0.00 C ATOM 820 OE1 GLU A 51 46.917 33.271 23.118 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.820 32.361 25.078 1.00 0.00 O ATOM 0 H GLU A 51 43.173 35.684 24.171 1.00 0.00 H new ATOM 0 HA GLU A 51 45.469 35.209 22.489 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.983 33.564 23.069 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.347 33.021 22.112 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.543 33.835 25.025 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.274 32.189 24.488 1.00 0.00 H new ATOM 828 N ASP A 52 44.398 35.004 20.170 1.00 0.00 N ATOM 829 CA ASP A 52 44.086 35.367 18.802 1.00 0.00 C ATOM 830 C ASP A 52 42.900 34.566 18.261 1.00 0.00 C ATOM 831 O ASP A 52 42.720 33.392 18.578 1.00 0.00 O ATOM 832 CB ASP A 52 45.326 35.207 17.927 1.00 0.00 C ATOM 833 CG ASP A 52 46.524 36.019 18.422 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.780 37.107 17.861 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.243 35.563 19.336 1.00 0.00 O ATOM 0 H ASP A 52 45.162 34.331 20.236 1.00 0.00 H new ATOM 0 HA ASP A 52 43.785 36.414 18.782 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.601 34.153 17.888 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.085 35.511 16.908 1.00 0.00 H new ATOM 840 N GLY A 53 42.072 35.191 17.430 1.00 0.00 N ATOM 841 CA GLY A 53 40.849 34.635 16.887 1.00 0.00 C ATOM 842 C GLY A 53 39.621 34.782 17.788 1.00 0.00 C ATOM 843 O GLY A 53 38.564 34.251 17.454 1.00 0.00 O ATOM 0 H GLY A 53 42.248 36.142 17.105 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.641 35.116 15.932 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.007 33.576 16.683 1.00 0.00 H new ATOM 847 N ARG A 54 39.744 35.471 18.919 1.00 0.00 N ATOM 848 CA ARG A 54 38.680 35.803 19.844 1.00 0.00 C ATOM 849 C ARG A 54 38.226 37.253 19.664 1.00 0.00 C ATOM 850 O ARG A 54 39.048 38.108 19.342 1.00 0.00 O ATOM 851 CB ARG A 54 39.162 35.571 21.273 1.00 0.00 C ATOM 852 CG ARG A 54 39.764 34.212 21.616 1.00 0.00 C ATOM 853 CD ARG A 54 38.775 33.053 21.701 1.00 0.00 C ATOM 854 NE ARG A 54 38.188 32.739 20.398 1.00 0.00 N ATOM 855 CZ ARG A 54 36.885 32.610 20.112 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.956 32.411 21.057 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.499 32.734 18.835 1.00 0.00 N ATOM 0 H ARG A 54 40.647 35.832 19.227 1.00 0.00 H new ATOM 0 HA ARG A 54 37.824 35.160 19.639 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.907 36.333 21.502 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.318 35.740 21.941 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.517 33.969 20.866 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.281 34.295 22.572 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.282 32.171 22.093 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.982 33.304 22.405 1.00 0.00 H new ATOM 0 HE ARG A 54 38.840 32.604 19.625 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.230 32.352 22.038 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.974 32.318 20.796 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.191 32.922 18.109 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.514 32.641 18.589 1.00 0.00 H new ATOM 871 N THR A 55 36.948 37.544 19.895 1.00 0.00 N ATOM 872 CA THR A 55 36.434 38.897 19.876 1.00 0.00 C ATOM 873 C THR A 55 36.656 39.632 21.200 1.00 0.00 C ATOM 874 O THR A 55 36.838 39.010 22.245 1.00 0.00 O ATOM 875 CB THR A 55 34.963 38.994 19.481 1.00 0.00 C ATOM 876 OG1 THR A 55 34.126 38.441 20.472 1.00 0.00 O ATOM 877 CG2 THR A 55 34.621 38.327 18.151 1.00 0.00 C ATOM 0 H THR A 55 36.241 36.838 20.101 1.00 0.00 H new ATOM 0 HA THR A 55 37.017 39.389 19.097 1.00 0.00 H new ATOM 0 HB THR A 55 34.788 40.064 19.373 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.118 37.465 20.386 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.556 38.444 17.949 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.196 38.794 17.351 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.866 37.266 18.202 1.00 0.00 H new ATOM 885 N LEU A 56 36.552 40.957 21.191 1.00 0.00 N ATOM 886 CA LEU A 56 36.455 41.754 22.398 1.00 0.00 C ATOM 887 C LEU A 56 35.287 41.309 23.282 1.00 0.00 C ATOM 888 O LEU A 56 35.433 41.238 24.500 1.00 0.00 O ATOM 889 CB LEU A 56 36.318 43.228 22.027 1.00 0.00 C ATOM 890 CG LEU A 56 37.539 43.859 21.365 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.240 45.322 21.056 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.778 43.825 22.255 1.00 0.00 C ATOM 0 H LEU A 56 36.533 41.509 20.333 1.00 0.00 H new ATOM 0 HA LEU A 56 37.367 41.608 22.976 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.466 43.337 21.356 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.086 43.791 22.931 1.00 0.00 H new ATOM 0 HG LEU A 56 37.743 43.280 20.464 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.109 45.779 20.583 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.385 45.384 20.383 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.012 45.850 21.982 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.615 44.288 21.732 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.579 44.372 23.176 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.026 42.791 22.494 1.00 0.00 H new ATOM 904 N SER A 57 34.153 40.953 22.685 1.00 0.00 N ATOM 905 CA SER A 57 33.003 40.432 23.397 1.00 0.00 C ATOM 906 C SER A 57 33.234 39.063 24.040 1.00 0.00 C ATOM 907 O SER A 57 32.752 38.848 25.151 1.00 0.00 O ATOM 908 CB SER A 57 31.764 40.459 22.508 1.00 0.00 C ATOM 909 OG SER A 57 31.769 39.490 21.483 1.00 0.00 O ATOM 0 H SER A 57 34.011 41.022 21.677 1.00 0.00 H new ATOM 0 HA SER A 57 32.833 41.100 24.241 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.881 40.310 23.129 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.674 41.448 22.058 1.00 0.00 H new ATOM 0 HG SER A 57 32.694 39.261 21.254 1.00 0.00 H new ATOM 915 N ASP A 58 34.029 38.172 23.455 1.00 0.00 N ATOM 916 CA ASP A 58 34.412 36.917 24.067 1.00 0.00 C ATOM 917 C ASP A 58 35.214 37.116 25.355 1.00 0.00 C ATOM 918 O ASP A 58 35.158 36.284 26.258 1.00 0.00 O ATOM 919 CB ASP A 58 35.229 36.056 23.107 1.00 0.00 C ATOM 920 CG ASP A 58 34.430 35.519 21.918 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.494 34.719 22.129 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.738 35.895 20.766 1.00 0.00 O ATOM 0 H ASP A 58 34.429 38.310 22.527 1.00 0.00 H new ATOM 0 HA ASP A 58 33.480 36.409 24.313 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.067 36.643 22.732 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.650 35.215 23.658 1.00 0.00 H new ATOM 927 N TYR A 59 35.935 38.228 25.468 1.00 0.00 N ATOM 928 CA TYR A 59 36.666 38.643 26.648 1.00 0.00 C ATOM 929 C TYR A 59 35.944 39.671 27.521 1.00 0.00 C ATOM 930 O TYR A 59 36.519 40.114 28.514 1.00 0.00 O ATOM 931 CB TYR A 59 38.070 39.086 26.248 1.00 0.00 C ATOM 932 CG TYR A 59 39.006 37.941 25.945 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.433 37.111 26.988 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.485 37.736 24.645 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.310 36.048 26.738 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.408 36.713 24.395 1.00 0.00 C ATOM 937 CZ TYR A 59 40.796 35.843 25.432 1.00 0.00 C ATOM 938 OH TYR A 59 41.632 34.800 25.161 1.00 0.00 O ATOM 0 H TYR A 59 36.026 38.892 24.699 1.00 0.00 H new ATOM 0 HA TYR A 59 36.738 37.772 27.300 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.002 39.729 25.371 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.494 39.687 27.052 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.083 37.292 27.994 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.143 38.366 23.837 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.611 35.391 27.540 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.823 36.591 23.405 1.00 0.00 H new ATOM 0 HH TYR A 59 41.160 34.135 24.618 1.00 0.00 H new ATOM 948 N ASN A 60 34.696 40.021 27.228 1.00 0.00 N ATOM 949 CA ASN A 60 33.888 40.949 27.994 1.00 0.00 C ATOM 950 C ASN A 60 34.496 42.349 28.109 1.00 0.00 C ATOM 951 O ASN A 60 34.284 43.049 29.097 1.00 0.00 O ATOM 952 CB ASN A 60 33.473 40.270 29.296 1.00 0.00 C ATOM 953 CG ASN A 60 32.488 41.032 30.184 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.756 41.293 31.354 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.291 41.339 29.693 1.00 0.00 N ATOM 0 H ASN A 60 34.204 39.648 26.416 1.00 0.00 H new ATOM 0 HA ASN A 60 32.969 41.179 27.455 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.033 39.304 29.051 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.373 40.072 29.878 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.596 41.791 30.288 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.067 41.123 28.722 1.00 0.00 H new ATOM 962 N ILE A 61 35.246 42.804 27.109 1.00 0.00 N ATOM 963 CA ILE A 61 35.815 44.136 27.048 1.00 0.00 C ATOM 964 C ILE A 61 34.738 45.135 26.623 1.00 0.00 C ATOM 965 O ILE A 61 33.979 44.871 25.693 1.00 0.00 O ATOM 966 CB ILE A 61 37.045 44.153 26.144 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.163 43.311 26.753 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.541 45.572 25.888 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.313 42.972 25.809 1.00 0.00 C ATOM 0 H ILE A 61 35.478 42.233 26.296 1.00 0.00 H new ATOM 0 HA ILE A 61 36.162 44.439 28.036 1.00 0.00 H new ATOM 0 HB ILE A 61 36.752 43.725 25.186 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.567 43.842 27.615 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.733 42.381 27.124 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.417 45.540 25.241 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.754 46.151 25.405 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.807 46.041 26.835 1.00 0.00 H new ATOM 0 HD11 ILE A 61 40.053 42.372 26.338 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.931 42.409 24.958 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.777 43.893 25.456 1.00 0.00 H new ATOM 981 N GLN A 62 34.663 46.287 27.283 1.00 0.00 N ATOM 982 CA GLN A 62 33.603 47.263 27.136 1.00 0.00 C ATOM 983 C GLN A 62 34.127 48.689 26.951 1.00 0.00 C ATOM 984 O GLN A 62 35.311 48.962 27.138 1.00 0.00 O ATOM 985 CB GLN A 62 32.680 47.156 28.348 1.00 0.00 C ATOM 986 CG GLN A 62 31.836 45.885 28.337 1.00 0.00 C ATOM 987 CD GLN A 62 30.806 45.865 29.468 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.663 46.293 29.312 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.172 45.392 30.656 1.00 0.00 N ATOM 0 H GLN A 62 35.370 46.572 27.961 1.00 0.00 H new ATOM 0 HA GLN A 62 33.049 47.042 26.224 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.279 47.181 29.258 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.021 48.024 28.375 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.323 45.800 27.379 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.489 45.017 28.427 1.00 0.00 H new ATOM 0 HE21 GLN A 62 32.118 45.035 30.794 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.507 45.386 31.429 1.00 0.00 H new ATOM 998 N LYS A 63 33.246 49.626 26.611 1.00 0.00 N ATOM 999 CA LYS A 63 33.538 51.035 26.450 1.00 0.00 C ATOM 1000 C LYS A 63 34.248 51.606 27.679 1.00 0.00 C ATOM 1001 O LYS A 63 33.806 51.381 28.804 1.00 0.00 O ATOM 1002 CB LYS A 63 32.215 51.730 26.141 1.00 0.00 C ATOM 1003 CG LYS A 63 32.289 53.236 25.905 1.00 0.00 C ATOM 1004 CD LYS A 63 31.915 54.030 27.153 1.00 0.00 C ATOM 1005 CE LYS A 63 31.702 55.503 26.818 1.00 0.00 C ATOM 1006 NZ LYS A 63 31.262 56.250 28.007 1.00 0.00 N ATOM 0 H LYS A 63 32.266 49.407 26.434 1.00 0.00 H new ATOM 0 HA LYS A 63 34.235 51.202 25.629 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.781 51.265 25.256 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.529 51.545 26.967 1.00 0.00 H new ATOM 0 HG2 LYS A 63 33.298 53.505 25.593 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.620 53.508 25.088 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.007 53.618 27.592 1.00 0.00 H new ATOM 0 HD3 LYS A 63 32.703 53.933 27.900 1.00 0.00 H new ATOM 0 HE2 LYS A 63 32.629 55.932 26.436 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.957 55.597 26.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.009 57.221 27.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.433 55.781 28.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.033 56.277 28.705 1.00 0.00 H new ATOM 1020 N GLU A 64 35.348 52.326 27.480 1.00 0.00 N ATOM 1021 CA GLU A 64 36.236 52.844 28.500 1.00 0.00 C ATOM 1022 C GLU A 64 36.887 51.806 29.417 1.00 0.00 C ATOM 1023 O GLU A 64 37.441 52.153 30.458 1.00 0.00 O ATOM 1024 CB GLU A 64 35.604 54.009 29.257 1.00 0.00 C ATOM 1025 CG GLU A 64 35.391 55.255 28.401 1.00 0.00 C ATOM 1026 CD GLU A 64 34.753 56.363 29.242 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.445 57.325 29.640 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.540 56.272 29.529 1.00 0.00 O ATOM 0 H GLU A 64 35.657 52.576 26.541 1.00 0.00 H new ATOM 0 HA GLU A 64 37.091 53.231 27.945 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.644 53.689 29.662 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.238 54.266 30.105 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.344 55.596 27.997 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.751 55.018 27.551 1.00 0.00 H new ATOM 1035 N SER A 65 36.898 50.530 29.045 1.00 0.00 N ATOM 1036 CA SER A 65 37.780 49.554 29.653 1.00 0.00 C ATOM 1037 C SER A 65 39.242 49.837 29.303 1.00 0.00 C ATOM 1038 O SER A 65 39.536 50.329 28.216 1.00 0.00 O ATOM 1039 CB SER A 65 37.423 48.136 29.216 1.00 0.00 C ATOM 1040 OG SER A 65 36.188 47.736 29.768 1.00 0.00 O ATOM 0 H SER A 65 36.296 50.149 28.315 1.00 0.00 H new ATOM 0 HA SER A 65 37.649 49.636 30.732 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.372 48.088 28.128 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.207 47.446 29.529 1.00 0.00 H new ATOM 0 HG SER A 65 36.188 46.765 29.899 1.00 0.00 H new ATOM 1046 N THR A 66 40.160 49.483 30.199 1.00 0.00 N ATOM 1047 CA THR A 66 41.593 49.608 30.024 1.00 0.00 C ATOM 1048 C THR A 66 42.236 48.225 29.919 1.00 0.00 C ATOM 1049 O THR A 66 41.852 47.309 30.644 1.00 0.00 O ATOM 1050 CB THR A 66 42.205 50.406 31.172 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.662 51.707 31.205 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.713 50.594 31.042 1.00 0.00 C ATOM 0 H THR A 66 39.908 49.085 31.104 1.00 0.00 H new ATOM 0 HA THR A 66 41.786 50.148 29.097 1.00 0.00 H new ATOM 0 HB THR A 66 41.982 49.829 32.070 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.061 52.209 31.946 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.082 51.169 31.891 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.201 49.619 31.024 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.935 51.128 30.118 1.00 0.00 H new ATOM 1060 N LEU A 67 43.244 48.073 29.065 1.00 0.00 N ATOM 1061 CA LEU A 67 44.059 46.882 28.944 1.00 0.00 C ATOM 1062 C LEU A 67 45.546 47.235 28.865 1.00 0.00 C ATOM 1063 O LEU A 67 45.905 48.357 28.516 1.00 0.00 O ATOM 1064 CB LEU A 67 43.542 45.998 27.813 1.00 0.00 C ATOM 1065 CG LEU A 67 43.770 46.468 26.379 1.00 0.00 C ATOM 1066 CD1 LEU A 67 45.157 46.129 25.840 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.780 45.799 25.430 1.00 0.00 C ATOM 0 H LEU A 67 43.521 48.809 28.415 1.00 0.00 H new ATOM 0 HA LEU A 67 43.970 46.279 29.847 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.001 45.015 27.920 1.00 0.00 H new ATOM 0 HB3 LEU A 67 42.469 45.866 27.955 1.00 0.00 H new ATOM 0 HG LEU A 67 43.646 47.550 26.419 1.00 0.00 H new ATOM 0 HD11 LEU A 67 45.249 46.493 24.817 1.00 0.00 H new ATOM 0 HD12 LEU A 67 45.915 46.603 26.463 1.00 0.00 H new ATOM 0 HD13 LEU A 67 45.299 45.048 25.855 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.959 46.147 24.413 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.910 44.718 25.472 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.763 46.054 25.727 1.00 0.00 H new ATOM 1079 N HIS A 68 46.415 46.280 29.182 1.00 0.00 N ATOM 1080 CA HIS A 68 47.854 46.418 29.086 1.00 0.00 C ATOM 1081 C HIS A 68 48.385 45.857 27.766 1.00 0.00 C ATOM 1082 O HIS A 68 48.035 44.746 27.375 1.00 0.00 O ATOM 1083 CB HIS A 68 48.548 45.710 30.246 1.00 0.00 C ATOM 1084 CG HIS A 68 48.728 46.562 31.474 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.735 46.893 32.394 1.00 0.00 N ATOM 1086 CD2 HIS A 68 49.921 47.077 31.908 1.00 0.00 C ATOM 1087 CE1 HIS A 68 48.332 47.623 33.340 1.00 0.00 C ATOM 1088 NE2 HIS A 68 49.644 47.744 33.085 1.00 0.00 N ATOM 0 H HIS A 68 46.123 45.364 29.522 1.00 0.00 H new ATOM 0 HA HIS A 68 48.074 47.485 29.128 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.971 44.825 30.514 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.526 45.364 29.912 1.00 0.00 H new ATOM 0 HD2 HIS A 68 50.883 46.981 31.427 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.829 48.056 34.192 1.00 0.00 H new ATOM 0 HE2 HIS A 68 50.321 48.243 33.662 1.00 0.00 H new ATOM 1096 N LEU A 69 49.299 46.595 27.142 1.00 0.00 N ATOM 1097 CA LEU A 69 50.282 46.073 26.213 1.00 0.00 C ATOM 1098 C LEU A 69 51.590 45.829 26.967 1.00 0.00 C ATOM 1099 O LEU A 69 52.084 46.713 27.664 1.00 0.00 O ATOM 1100 CB LEU A 69 50.422 47.052 25.051 1.00 0.00 C ATOM 1101 CG LEU A 69 51.648 46.862 24.163 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.647 45.541 23.398 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.731 47.997 23.146 1.00 0.00 C ATOM 0 H LEU A 69 49.374 47.603 27.277 1.00 0.00 H new ATOM 0 HA LEU A 69 49.976 45.116 25.790 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.531 46.976 24.428 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.443 48.064 25.455 1.00 0.00 H new ATOM 0 HG LEU A 69 52.507 46.859 24.834 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.547 45.473 22.787 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.625 44.711 24.105 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.768 45.494 22.755 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.608 47.856 22.515 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.834 47.997 22.526 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.810 48.950 23.670 1.00 0.00 H new ATOM 1115 N VAL A 70 52.163 44.642 26.785 1.00 0.00 N ATOM 1116 CA VAL A 70 53.489 44.267 27.231 1.00 0.00 C ATOM 1117 C VAL A 70 54.302 43.697 26.068 1.00 0.00 C ATOM 1118 O VAL A 70 53.751 43.209 25.084 1.00 0.00 O ATOM 1119 CB VAL A 70 53.456 43.333 28.437 1.00 0.00 C ATOM 1120 CG1 VAL A 70 52.852 44.029 29.654 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.687 42.036 28.205 1.00 0.00 C ATOM 0 H VAL A 70 51.686 43.883 26.298 1.00 0.00 H new ATOM 0 HA VAL A 70 53.993 45.170 27.577 1.00 0.00 H new ATOM 0 HB VAL A 70 54.501 43.074 28.610 1.00 0.00 H new ATOM 0 HG11 VAL A 70 52.841 43.340 30.499 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.451 44.904 29.907 1.00 0.00 H new ATOM 0 HG13 VAL A 70 51.833 44.340 29.426 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.713 41.431 29.111 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.652 42.267 27.952 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.146 41.483 27.386 1.00 0.00 H new