USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=12 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= 3.15 (180deg=3.13) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0245 USER MOD Single : A 14 THR OG1 : rot -81:sc= 0.113 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.815 K(o=0.82,f=-0.58) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.29 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 0.853 (180deg=0.743) USER MOD Single : A 31 GLN : amide:sc= -0.598 X(o=-0.6,f=-0.99) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 41 GLN : amide:sc= 1.05 K(o=1,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.09 K(o=1.1,f=-7.5!) USER MOD Single : A 55 THR OG1 : rot -73:sc= 1.36 USER MOD Single : A 57 SER OG : rot 75:sc= 1.22 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.5 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 78:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0287 X(o=-0.029,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.122 51.430 19.467 1.00 0.00 N ATOM 2 CA MET A 1 33.251 51.672 20.912 1.00 0.00 C ATOM 3 C MET A 1 34.678 52.118 21.235 1.00 0.00 C ATOM 4 O MET A 1 35.627 51.693 20.581 1.00 0.00 O ATOM 5 CB MET A 1 32.872 50.449 21.743 1.00 0.00 C ATOM 6 CG MET A 1 31.369 50.397 22.004 1.00 0.00 C ATOM 7 SD MET A 1 30.325 50.361 20.526 1.00 0.00 S ATOM 8 CE MET A 1 28.700 50.304 21.321 1.00 0.00 C ATOM 0 H1 MET A 1 32.166 51.078 19.258 1.00 0.00 H new ATOM 0 H2 MET A 1 33.285 52.318 18.950 1.00 0.00 H new ATOM 0 H3 MET A 1 33.824 50.722 19.170 1.00 0.00 H new ATOM 0 HA MET A 1 32.550 52.463 21.178 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.184 49.543 21.223 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.407 50.472 22.692 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.152 49.513 22.603 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.091 51.264 22.603 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.922 50.277 20.558 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.630 49.411 21.942 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.568 51.190 21.943 1.00 0.00 H new ATOM 20 N GLN A 2 34.834 52.957 22.255 1.00 0.00 N ATOM 21 CA GLN A 2 36.118 53.417 22.744 1.00 0.00 C ATOM 22 C GLN A 2 36.811 52.352 23.595 1.00 0.00 C ATOM 23 O GLN A 2 36.149 51.672 24.376 1.00 0.00 O ATOM 24 CB GLN A 2 35.940 54.689 23.568 1.00 0.00 C ATOM 25 CG GLN A 2 35.279 55.843 22.820 1.00 0.00 C ATOM 26 CD GLN A 2 35.301 57.116 23.668 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.209 57.939 23.567 1.00 0.00 O ATOM 28 NE2 GLN A 2 34.349 57.313 24.575 1.00 0.00 N ATOM 0 H GLN A 2 34.045 53.343 22.774 1.00 0.00 H new ATOM 0 HA GLN A 2 36.746 53.623 21.877 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.343 54.455 24.449 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.917 55.016 23.923 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.798 56.018 21.878 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.250 55.582 22.573 1.00 0.00 H new ATOM 0 HE21 GLN A 2 33.589 56.640 24.671 1.00 0.00 H new ATOM 0 HE22 GLN A 2 34.379 58.138 25.175 1.00 0.00 H new ATOM 37 N ILE A 3 38.137 52.265 23.530 1.00 0.00 N ATOM 38 CA ILE A 3 38.971 51.559 24.481 1.00 0.00 C ATOM 39 C ILE A 3 40.228 52.369 24.808 1.00 0.00 C ATOM 40 O ILE A 3 40.530 53.350 24.133 1.00 0.00 O ATOM 41 CB ILE A 3 39.338 50.152 24.020 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.092 50.144 22.693 1.00 0.00 C ATOM 43 CG2 ILE A 3 38.116 49.239 23.982 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.837 48.845 22.403 1.00 0.00 C ATOM 0 H ILE A 3 38.674 52.703 22.782 1.00 0.00 H new ATOM 0 HA ILE A 3 38.379 51.444 25.389 1.00 0.00 H new ATOM 0 HB ILE A 3 40.026 49.751 24.764 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.385 50.332 21.885 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.806 50.968 22.689 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.415 48.245 23.649 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.681 49.172 24.979 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.379 49.647 23.291 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.345 48.924 21.442 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.571 48.664 23.188 1.00 0.00 H new ATOM 0 HD13 ILE A 3 40.128 48.018 22.372 1.00 0.00 H new ATOM 56 N PHE A 4 40.989 51.939 25.810 1.00 0.00 N ATOM 57 CA PHE A 4 42.332 52.408 26.083 1.00 0.00 C ATOM 58 C PHE A 4 43.339 51.259 26.008 1.00 0.00 C ATOM 59 O PHE A 4 43.043 50.139 26.420 1.00 0.00 O ATOM 60 CB PHE A 4 42.396 53.067 27.459 1.00 0.00 C ATOM 61 CG PHE A 4 41.584 54.327 27.640 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.934 55.493 26.949 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.528 54.360 28.559 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.244 56.688 27.183 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.832 55.552 28.791 1.00 0.00 C ATOM 66 CZ PHE A 4 40.194 56.720 28.108 1.00 0.00 C ATOM 0 H PHE A 4 40.672 51.231 26.473 1.00 0.00 H new ATOM 0 HA PHE A 4 42.592 53.145 25.323 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.068 52.340 28.201 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.438 53.298 27.679 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.741 55.470 26.231 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.249 53.462 29.091 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.522 57.585 26.650 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.015 55.571 29.497 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.665 57.643 28.295 1.00 0.00 H new ATOM 76 N VAL A 5 44.551 51.542 25.540 1.00 0.00 N ATOM 77 CA VAL A 5 45.676 50.630 25.610 1.00 0.00 C ATOM 78 C VAL A 5 46.861 51.317 26.290 1.00 0.00 C ATOM 79 O VAL A 5 47.260 52.399 25.863 1.00 0.00 O ATOM 80 CB VAL A 5 46.057 50.075 24.240 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.188 49.056 24.350 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.880 49.387 23.553 1.00 0.00 C ATOM 0 H VAL A 5 44.778 52.431 25.094 1.00 0.00 H new ATOM 0 HA VAL A 5 45.377 49.772 26.212 1.00 0.00 H new ATOM 0 HB VAL A 5 46.375 50.934 23.649 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.436 48.679 23.358 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.066 49.532 24.787 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.871 48.228 24.984 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.197 49.008 22.582 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.532 48.559 24.170 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.070 50.103 23.416 1.00 0.00 H new ATOM 92 N LYS A 6 47.416 50.692 27.325 1.00 0.00 N ATOM 93 CA LYS A 6 48.621 51.084 28.025 1.00 0.00 C ATOM 94 C LYS A 6 49.847 50.395 27.423 1.00 0.00 C ATOM 95 O LYS A 6 49.886 49.169 27.328 1.00 0.00 O ATOM 96 CB LYS A 6 48.494 50.765 29.511 1.00 0.00 C ATOM 97 CG LYS A 6 47.858 51.877 30.341 1.00 0.00 C ATOM 98 CD LYS A 6 48.816 53.043 30.567 1.00 0.00 C ATOM 99 CE LYS A 6 48.241 54.018 31.591 1.00 0.00 C ATOM 100 NZ LYS A 6 49.192 55.095 31.902 1.00 0.00 N ATOM 0 H LYS A 6 47.004 49.845 27.717 1.00 0.00 H new ATOM 0 HA LYS A 6 48.753 52.160 27.912 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.901 49.858 29.626 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.485 50.551 29.911 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.961 52.237 29.837 1.00 0.00 H new ATOM 0 HG3 LYS A 6 47.543 51.475 31.304 1.00 0.00 H new ATOM 0 HD2 LYS A 6 49.779 52.668 30.914 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.996 53.561 29.625 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.316 54.448 31.206 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.987 53.480 32.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.770 55.740 32.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 50.065 54.685 32.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.415 55.623 31.034 1.00 0.00 H new ATOM 168 N LYS A 11 52.661 55.242 28.394 1.00 0.00 N ATOM 169 CA LYS A 11 51.721 56.036 27.630 1.00 0.00 C ATOM 170 C LYS A 11 50.399 55.291 27.436 1.00 0.00 C ATOM 171 O LYS A 11 50.352 54.064 27.473 1.00 0.00 O ATOM 172 CB LYS A 11 52.304 56.459 26.284 1.00 0.00 C ATOM 173 CG LYS A 11 53.497 57.402 26.404 1.00 0.00 C ATOM 174 CD LYS A 11 53.853 58.000 25.046 1.00 0.00 C ATOM 175 CE LYS A 11 55.102 58.873 25.135 1.00 0.00 C ATOM 176 NZ LYS A 11 55.385 59.531 23.850 1.00 0.00 N ATOM 0 HA LYS A 11 51.522 56.941 28.204 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.609 55.569 25.734 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.525 56.945 25.697 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.266 58.201 27.109 1.00 0.00 H new ATOM 0 HG3 LYS A 11 54.355 56.862 26.805 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.017 57.199 24.325 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.017 58.594 24.677 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.967 59.627 25.911 1.00 0.00 H new ATOM 0 HE3 LYS A 11 55.955 58.262 25.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 56.239 60.117 23.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.537 58.809 23.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.579 60.132 23.583 1.00 0.00 H new ATOM 190 N THR A 12 49.329 56.042 27.188 1.00 0.00 N ATOM 191 CA THR A 12 48.042 55.529 26.766 1.00 0.00 C ATOM 192 C THR A 12 47.778 55.897 25.305 1.00 0.00 C ATOM 193 O THR A 12 48.160 56.981 24.869 1.00 0.00 O ATOM 194 CB THR A 12 46.918 56.026 27.669 1.00 0.00 C ATOM 195 OG1 THR A 12 47.169 55.675 29.012 1.00 0.00 O ATOM 196 CG2 THR A 12 45.556 55.418 27.343 1.00 0.00 C ATOM 0 H THR A 12 49.341 57.058 27.280 1.00 0.00 H new ATOM 0 HA THR A 12 48.067 54.443 26.851 1.00 0.00 H new ATOM 0 HB THR A 12 46.893 57.104 27.507 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.439 56.003 29.578 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.806 55.818 28.026 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.283 55.667 26.318 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.605 54.335 27.453 1.00 0.00 H new ATOM 204 N ILE A 13 47.075 55.037 24.573 1.00 0.00 N ATOM 205 CA ILE A 13 46.436 55.360 23.313 1.00 0.00 C ATOM 206 C ILE A 13 44.946 55.014 23.335 1.00 0.00 C ATOM 207 O ILE A 13 44.528 54.064 23.994 1.00 0.00 O ATOM 208 CB ILE A 13 47.157 54.740 22.121 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.229 53.217 22.187 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.533 55.379 21.955 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.851 52.550 20.964 1.00 0.00 C ATOM 0 H ILE A 13 46.933 54.067 24.855 1.00 0.00 H new ATOM 0 HA ILE A 13 46.512 56.440 23.184 1.00 0.00 H new ATOM 0 HB ILE A 13 46.566 54.955 21.231 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.803 52.933 23.069 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.221 52.826 22.323 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.042 54.931 21.102 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.419 56.450 21.788 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.122 55.213 22.857 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.858 51.469 21.103 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.267 52.798 20.078 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.873 52.906 20.836 1.00 0.00 H new ATOM 223 N THR A 14 44.151 55.790 22.604 1.00 0.00 N ATOM 224 CA THR A 14 42.704 55.738 22.562 1.00 0.00 C ATOM 225 C THR A 14 42.226 55.233 21.198 1.00 0.00 C ATOM 226 O THR A 14 42.357 55.932 20.196 1.00 0.00 O ATOM 227 CB THR A 14 42.115 57.117 22.847 1.00 0.00 C ATOM 228 OG1 THR A 14 42.595 57.621 24.073 1.00 0.00 O ATOM 229 CG2 THR A 14 40.593 57.088 22.956 1.00 0.00 C ATOM 0 H THR A 14 44.528 56.513 21.991 1.00 0.00 H new ATOM 0 HA THR A 14 42.362 55.045 23.330 1.00 0.00 H new ATOM 0 HB THR A 14 42.416 57.745 22.009 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.079 57.233 24.811 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.224 58.093 23.159 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.168 56.728 22.019 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.299 56.422 23.768 1.00 0.00 H new ATOM 237 N LEU A 15 41.657 54.033 21.143 1.00 0.00 N ATOM 238 CA LEU A 15 41.246 53.384 19.914 1.00 0.00 C ATOM 239 C LEU A 15 39.723 53.307 19.778 1.00 0.00 C ATOM 240 O LEU A 15 38.993 53.468 20.753 1.00 0.00 O ATOM 241 CB LEU A 15 41.909 52.016 19.789 1.00 0.00 C ATOM 242 CG LEU A 15 43.434 52.000 19.861 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.933 50.563 19.736 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.098 52.827 18.764 1.00 0.00 C ATOM 0 H LEU A 15 41.466 53.475 21.976 1.00 0.00 H new ATOM 0 HA LEU A 15 41.586 53.999 19.081 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.521 51.373 20.579 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.606 51.573 18.840 1.00 0.00 H new ATOM 0 HG LEU A 15 43.702 52.441 20.821 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.022 50.550 19.787 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.524 49.964 20.550 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.610 50.147 18.782 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.181 52.773 18.873 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.811 52.434 17.788 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.776 53.865 18.846 1.00 0.00 H new ATOM 256 N GLU A 16 39.248 53.057 18.561 1.00 0.00 N ATOM 257 CA GLU A 16 37.850 52.889 18.217 1.00 0.00 C ATOM 258 C GLU A 16 37.644 51.514 17.580 1.00 0.00 C ATOM 259 O GLU A 16 38.037 51.276 16.440 1.00 0.00 O ATOM 260 CB GLU A 16 37.415 54.030 17.302 1.00 0.00 C ATOM 261 CG GLU A 16 35.904 54.100 17.103 1.00 0.00 C ATOM 262 CD GLU A 16 35.139 54.521 18.359 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.550 55.494 19.027 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.092 53.905 18.652 1.00 0.00 O ATOM 0 H GLU A 16 39.862 52.963 17.752 1.00 0.00 H new ATOM 0 HA GLU A 16 37.226 52.930 19.110 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.764 54.975 17.719 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.897 53.913 16.332 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.684 54.804 16.301 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.543 53.124 16.778 1.00 0.00 H new ATOM 271 N VAL A 17 37.048 50.587 18.325 1.00 0.00 N ATOM 272 CA VAL A 17 36.957 49.173 18.020 1.00 0.00 C ATOM 273 C VAL A 17 35.505 48.691 18.044 1.00 0.00 C ATOM 274 O VAL A 17 34.685 49.235 18.780 1.00 0.00 O ATOM 275 CB VAL A 17 37.815 48.349 18.976 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.284 48.751 18.902 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.370 48.468 20.431 1.00 0.00 C ATOM 0 H VAL A 17 36.592 50.822 19.206 1.00 0.00 H new ATOM 0 HA VAL A 17 37.341 49.030 17.010 1.00 0.00 H new ATOM 0 HB VAL A 17 37.687 47.317 18.650 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.863 48.143 19.597 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.653 48.595 17.888 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.387 49.803 19.168 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.019 47.859 21.061 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.431 49.510 20.746 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.341 48.120 20.527 1.00 0.00 H new ATOM 287 N GLU A 18 35.170 47.668 17.263 1.00 0.00 N ATOM 288 CA GLU A 18 33.847 47.079 17.308 1.00 0.00 C ATOM 289 C GLU A 18 33.698 46.151 18.517 1.00 0.00 C ATOM 290 O GLU A 18 34.640 45.428 18.832 1.00 0.00 O ATOM 291 CB GLU A 18 33.524 46.338 16.013 1.00 0.00 C ATOM 292 CG GLU A 18 33.453 47.266 14.803 1.00 0.00 C ATOM 293 CD GLU A 18 33.027 46.499 13.550 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.811 46.290 13.352 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.886 46.073 12.748 1.00 0.00 O ATOM 0 H GLU A 18 35.803 47.233 16.592 1.00 0.00 H new ATOM 0 HA GLU A 18 33.129 47.892 17.415 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.283 45.576 15.837 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.572 45.820 16.124 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.746 48.072 14.999 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.426 47.729 14.637 1.00 0.00 H new ATOM 302 N PRO A 19 32.541 46.067 19.169 1.00 0.00 N ATOM 303 CA PRO A 19 32.306 45.125 20.244 1.00 0.00 C ATOM 304 C PRO A 19 32.615 43.663 19.912 1.00 0.00 C ATOM 305 O PRO A 19 32.945 42.889 20.807 1.00 0.00 O ATOM 306 CB PRO A 19 30.835 45.292 20.612 1.00 0.00 C ATOM 307 CG PRO A 19 30.566 46.760 20.293 1.00 0.00 C ATOM 308 CD PRO A 19 31.428 46.988 19.054 1.00 0.00 C ATOM 0 HA PRO A 19 32.990 45.348 21.063 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.195 44.629 20.030 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.654 45.068 21.663 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.511 46.946 20.094 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.855 47.414 21.115 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.859 46.802 18.143 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.778 48.019 19.006 1.00 0.00 H new ATOM 316 N SER A 20 32.524 43.271 18.645 1.00 0.00 N ATOM 317 CA SER A 20 32.906 41.962 18.154 1.00 0.00 C ATOM 318 C SER A 20 34.097 41.979 17.193 1.00 0.00 C ATOM 319 O SER A 20 34.225 41.087 16.357 1.00 0.00 O ATOM 320 CB SER A 20 31.692 41.195 17.638 1.00 0.00 C ATOM 321 OG SER A 20 31.013 41.896 16.619 1.00 0.00 O ATOM 0 H SER A 20 32.169 43.882 17.910 1.00 0.00 H new ATOM 0 HA SER A 20 33.288 41.402 19.007 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.012 40.225 17.258 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.007 41.004 18.464 1.00 0.00 H new ATOM 0 HG SER A 20 30.244 41.369 16.316 1.00 0.00 H new ATOM 327 N ASP A 21 35.006 42.942 17.325 1.00 0.00 N ATOM 328 CA ASP A 21 36.332 42.828 16.751 1.00 0.00 C ATOM 329 C ASP A 21 37.164 41.768 17.474 1.00 0.00 C ATOM 330 O ASP A 21 37.076 41.606 18.689 1.00 0.00 O ATOM 331 CB ASP A 21 37.084 44.155 16.755 1.00 0.00 C ATOM 332 CG ASP A 21 36.989 44.922 15.434 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.954 44.275 14.365 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.030 46.171 15.459 1.00 0.00 O ATOM 0 H ASP A 21 34.841 43.813 17.829 1.00 0.00 H new ATOM 0 HA ASP A 21 36.187 42.524 15.714 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.693 44.781 17.557 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.134 43.967 16.980 1.00 0.00 H new ATOM 339 N THR A 22 38.007 41.074 16.716 1.00 0.00 N ATOM 340 CA THR A 22 39.023 40.183 17.239 1.00 0.00 C ATOM 341 C THR A 22 40.238 40.957 17.753 1.00 0.00 C ATOM 342 O THR A 22 40.488 42.086 17.337 1.00 0.00 O ATOM 343 CB THR A 22 39.487 39.174 16.191 1.00 0.00 C ATOM 344 OG1 THR A 22 40.029 39.853 15.081 1.00 0.00 O ATOM 345 CG2 THR A 22 38.365 38.268 15.692 1.00 0.00 C ATOM 0 H THR A 22 37.998 41.120 15.697 1.00 0.00 H new ATOM 0 HA THR A 22 38.560 39.647 18.068 1.00 0.00 H new ATOM 0 HB THR A 22 40.234 38.548 16.679 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.327 39.201 14.412 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.760 37.575 14.950 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.951 37.706 16.529 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.581 38.875 15.240 1.00 0.00 H new ATOM 353 N ILE A 23 41.061 40.339 18.595 1.00 0.00 N ATOM 354 CA ILE A 23 42.312 40.917 19.043 1.00 0.00 C ATOM 355 C ILE A 23 43.254 41.227 17.878 1.00 0.00 C ATOM 356 O ILE A 23 43.904 42.270 17.873 1.00 0.00 O ATOM 357 CB ILE A 23 42.948 40.004 20.088 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.071 39.781 21.316 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.335 40.474 20.514 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.632 41.028 22.078 1.00 0.00 C ATOM 0 H ILE A 23 40.872 39.416 18.985 1.00 0.00 H new ATOM 0 HA ILE A 23 42.107 41.880 19.511 1.00 0.00 H new ATOM 0 HB ILE A 23 43.052 39.044 19.583 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.177 39.241 21.003 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.610 39.132 22.006 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.739 39.788 21.258 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.994 40.497 19.646 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.265 41.474 20.943 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.015 40.737 22.928 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.511 41.564 22.435 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.056 41.675 21.416 1.00 0.00 H new ATOM 372 N GLU A 24 43.255 40.410 16.829 1.00 0.00 N ATOM 373 CA GLU A 24 43.970 40.662 15.594 1.00 0.00 C ATOM 374 C GLU A 24 43.524 41.943 14.886 1.00 0.00 C ATOM 375 O GLU A 24 44.340 42.644 14.293 1.00 0.00 O ATOM 376 CB GLU A 24 43.763 39.431 14.716 1.00 0.00 C ATOM 377 CG GLU A 24 44.454 39.459 13.356 1.00 0.00 C ATOM 378 CD GLU A 24 44.102 38.175 12.603 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.249 38.222 11.691 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.626 37.100 12.967 1.00 0.00 O ATOM 0 H GLU A 24 42.741 39.529 16.820 1.00 0.00 H new ATOM 0 HA GLU A 24 45.026 40.826 15.807 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.114 38.556 15.262 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.693 39.299 14.556 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.133 40.331 12.787 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.534 39.540 13.482 1.00 0.00 H new ATOM 387 N ASN A 25 42.255 42.318 15.009 1.00 0.00 N ATOM 388 CA ASN A 25 41.722 43.556 14.478 1.00 0.00 C ATOM 389 C ASN A 25 42.053 44.776 15.340 1.00 0.00 C ATOM 390 O ASN A 25 41.771 45.895 14.918 1.00 0.00 O ATOM 391 CB ASN A 25 40.218 43.421 14.252 1.00 0.00 C ATOM 392 CG ASN A 25 39.816 42.391 13.195 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.629 41.712 12.571 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.512 42.273 12.965 1.00 0.00 N ATOM 0 H ASN A 25 41.557 41.753 15.493 1.00 0.00 H new ATOM 0 HA ASN A 25 42.212 43.734 13.521 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.746 43.153 15.197 1.00 0.00 H new ATOM 0 HB3 ASN A 25 39.820 44.393 13.961 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.175 41.613 12.264 1.00 0.00 H new ATOM 0 HD22 ASN A 25 37.848 42.842 13.490 1.00 0.00 H new ATOM 401 N VAL A 26 42.659 44.602 16.511 1.00 0.00 N ATOM 402 CA VAL A 26 43.148 45.662 17.370 1.00 0.00 C ATOM 403 C VAL A 26 44.669 45.802 17.287 1.00 0.00 C ATOM 404 O VAL A 26 45.166 46.922 17.198 1.00 0.00 O ATOM 405 CB VAL A 26 42.678 45.478 18.810 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.033 46.683 19.675 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.165 45.295 18.897 1.00 0.00 C ATOM 0 H VAL A 26 42.827 43.674 16.899 1.00 0.00 H new ATOM 0 HA VAL A 26 42.720 46.596 17.006 1.00 0.00 H new ATOM 0 HB VAL A 26 43.187 44.584 19.171 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.683 46.516 20.693 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.114 46.820 19.681 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.556 47.575 19.269 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.873 45.167 19.939 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.668 46.174 18.486 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.872 44.413 18.328 1.00 0.00 H new ATOM 417 N LYS A 27 45.420 44.707 17.207 1.00 0.00 N ATOM 418 CA LYS A 27 46.864 44.707 17.088 1.00 0.00 C ATOM 419 C LYS A 27 47.378 45.553 15.921 1.00 0.00 C ATOM 420 O LYS A 27 48.328 46.316 16.077 1.00 0.00 O ATOM 421 CB LYS A 27 47.366 43.271 16.965 1.00 0.00 C ATOM 422 CG LYS A 27 47.332 42.505 18.285 1.00 0.00 C ATOM 423 CD LYS A 27 47.618 41.013 18.140 1.00 0.00 C ATOM 424 CE LYS A 27 48.934 40.735 17.419 1.00 0.00 C ATOM 425 NZ LYS A 27 49.229 39.295 17.354 1.00 0.00 N ATOM 0 H LYS A 27 45.022 43.768 17.224 1.00 0.00 H new ATOM 0 HA LYS A 27 47.259 45.169 17.993 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.758 42.743 16.230 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.388 43.282 16.585 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.063 42.941 18.966 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.352 42.634 18.744 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.646 40.554 19.128 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.802 40.542 17.593 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.888 41.142 16.409 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.746 41.249 17.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.045 39.136 16.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.448 38.942 18.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.402 38.788 16.979 1.00 0.00 H new ATOM 439 N ALA A 28 46.696 45.497 14.780 1.00 0.00 N ATOM 440 CA ALA A 28 46.999 46.306 13.617 1.00 0.00 C ATOM 441 C ALA A 28 46.800 47.808 13.833 1.00 0.00 C ATOM 442 O ALA A 28 47.524 48.610 13.248 1.00 0.00 O ATOM 443 CB ALA A 28 46.137 45.797 12.465 1.00 0.00 C ATOM 0 H ALA A 28 45.901 44.873 14.642 1.00 0.00 H new ATOM 0 HA ALA A 28 48.061 46.201 13.395 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.340 46.386 11.571 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.370 44.750 12.271 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.084 45.891 12.730 1.00 0.00 H new ATOM 449 N LYS A 29 45.869 48.213 14.693 1.00 0.00 N ATOM 450 CA LYS A 29 45.628 49.600 15.034 1.00 0.00 C ATOM 451 C LYS A 29 46.652 50.152 16.028 1.00 0.00 C ATOM 452 O LYS A 29 46.990 51.333 15.965 1.00 0.00 O ATOM 453 CB LYS A 29 44.208 49.785 15.561 1.00 0.00 C ATOM 454 CG LYS A 29 43.166 49.684 14.451 1.00 0.00 C ATOM 455 CD LYS A 29 41.752 49.800 15.014 1.00 0.00 C ATOM 456 CE LYS A 29 40.752 49.987 13.878 1.00 0.00 C ATOM 457 NZ LYS A 29 39.364 50.004 14.363 1.00 0.00 N ATOM 0 H LYS A 29 45.250 47.565 15.180 1.00 0.00 H new ATOM 0 HA LYS A 29 45.743 50.175 14.115 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.002 49.030 16.320 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.126 50.757 16.047 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.334 50.472 13.717 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.276 48.733 13.929 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.504 48.905 15.584 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.694 50.643 15.703 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.965 50.920 13.357 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.873 49.182 13.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.737 50.349 13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.080 49.042 14.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.292 50.634 15.187 1.00 0.00 H new ATOM 471 N ILE A 30 47.188 49.302 16.900 1.00 0.00 N ATOM 472 CA ILE A 30 48.266 49.630 17.811 1.00 0.00 C ATOM 473 C ILE A 30 49.568 49.867 17.044 1.00 0.00 C ATOM 474 O ILE A 30 50.277 50.829 17.331 1.00 0.00 O ATOM 475 CB ILE A 30 48.401 48.543 18.874 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.148 48.480 19.741 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.638 48.759 19.741 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.035 47.221 20.596 1.00 0.00 C ATOM 0 H ILE A 30 46.870 48.337 16.990 1.00 0.00 H new ATOM 0 HA ILE A 30 48.033 50.562 18.327 1.00 0.00 H new ATOM 0 HB ILE A 30 48.518 47.590 18.358 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.130 49.352 20.395 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.271 48.547 19.097 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.702 47.967 20.487 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.529 48.741 19.114 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.567 49.724 20.242 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.115 47.259 21.180 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.019 46.343 19.950 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.890 47.160 21.269 1.00 0.00 H new ATOM 490 N GLN A 31 49.853 49.066 16.023 1.00 0.00 N ATOM 491 CA GLN A 31 50.974 49.291 15.131 1.00 0.00 C ATOM 492 C GLN A 31 50.818 50.605 14.364 1.00 0.00 C ATOM 493 O GLN A 31 51.727 51.432 14.356 1.00 0.00 O ATOM 494 CB GLN A 31 51.132 48.103 14.187 1.00 0.00 C ATOM 495 CG GLN A 31 52.439 48.195 13.405 1.00 0.00 C ATOM 496 CD GLN A 31 52.619 47.114 12.338 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.701 46.394 11.952 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.836 46.954 11.825 1.00 0.00 N ATOM 0 H GLN A 31 49.305 48.237 15.793 1.00 0.00 H new ATOM 0 HA GLN A 31 51.883 49.379 15.726 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.111 47.175 14.758 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.291 48.070 13.494 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.493 49.173 12.926 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.272 48.137 14.106 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.604 47.547 12.139 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.001 46.238 11.117 1.00 0.00 H new ATOM 507 N ASP A 32 49.644 50.844 13.785 1.00 0.00 N ATOM 508 CA ASP A 32 49.302 52.064 13.082 1.00 0.00 C ATOM 509 C ASP A 32 49.459 53.333 13.922 1.00 0.00 C ATOM 510 O ASP A 32 49.805 54.383 13.383 1.00 0.00 O ATOM 511 CB ASP A 32 47.860 51.911 12.609 1.00 0.00 C ATOM 512 CG ASP A 32 47.333 53.112 11.822 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.756 53.307 10.661 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.427 53.803 12.337 1.00 0.00 O ATOM 0 H ASP A 32 48.882 50.166 13.796 1.00 0.00 H new ATOM 0 HA ASP A 32 49.997 52.193 12.252 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.785 51.020 11.986 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.219 51.748 13.476 1.00 0.00 H new ATOM 519 N LYS A 33 49.218 53.253 15.228 1.00 0.00 N ATOM 520 CA LYS A 33 49.339 54.364 16.150 1.00 0.00 C ATOM 521 C LYS A 33 50.763 54.570 16.669 1.00 0.00 C ATOM 522 O LYS A 33 51.288 55.677 16.569 1.00 0.00 O ATOM 523 CB LYS A 33 48.332 54.193 17.284 1.00 0.00 C ATOM 524 CG LYS A 33 48.026 55.484 18.038 1.00 0.00 C ATOM 525 CD LYS A 33 47.093 56.409 17.263 1.00 0.00 C ATOM 526 CE LYS A 33 46.773 57.656 18.083 1.00 0.00 C ATOM 527 NZ LYS A 33 45.676 58.434 17.489 1.00 0.00 N ATOM 0 H LYS A 33 48.925 52.387 15.680 1.00 0.00 H new ATOM 0 HA LYS A 33 49.109 55.278 15.602 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.404 53.793 16.876 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.714 53.454 17.988 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.574 55.240 18.999 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.959 56.008 18.248 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.557 56.696 16.320 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.171 55.882 17.017 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.503 57.364 19.098 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.663 58.281 18.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.488 59.273 18.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.943 58.734 16.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.819 57.846 17.442 1.00 0.00 H new ATOM 541 N GLU A 34 51.401 53.544 17.224 1.00 0.00 N ATOM 542 CA GLU A 34 52.615 53.645 18.008 1.00 0.00 C ATOM 543 C GLU A 34 53.791 52.817 17.487 1.00 0.00 C ATOM 544 O GLU A 34 54.854 52.808 18.104 1.00 0.00 O ATOM 545 CB GLU A 34 52.282 53.302 19.459 1.00 0.00 C ATOM 546 CG GLU A 34 51.684 54.470 20.237 1.00 0.00 C ATOM 547 CD GLU A 34 52.719 55.552 20.556 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.673 55.273 21.314 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.628 56.669 20.002 1.00 0.00 O ATOM 0 H GLU A 34 51.069 52.584 17.133 1.00 0.00 H new ATOM 0 HA GLU A 34 52.968 54.673 17.924 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.581 52.468 19.475 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.189 52.966 19.962 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.870 54.909 19.659 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.251 54.100 21.167 1.00 0.00 H new ATOM 556 N GLY A 35 53.637 52.121 16.363 1.00 0.00 N ATOM 557 CA GLY A 35 54.709 51.448 15.657 1.00 0.00 C ATOM 558 C GLY A 35 55.119 50.084 16.215 1.00 0.00 C ATOM 559 O GLY A 35 56.016 49.451 15.665 1.00 0.00 O ATOM 0 H GLY A 35 52.730 52.010 15.909 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.409 51.319 14.617 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.584 52.098 15.658 1.00 0.00 H new ATOM 563 N ILE A 36 54.479 49.612 17.282 1.00 0.00 N ATOM 564 CA ILE A 36 54.843 48.399 17.987 1.00 0.00 C ATOM 565 C ILE A 36 54.561 47.185 17.100 1.00 0.00 C ATOM 566 O ILE A 36 53.409 47.019 16.705 1.00 0.00 O ATOM 567 CB ILE A 36 54.111 48.311 19.323 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.321 49.537 20.207 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.576 47.072 20.085 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.207 49.735 21.230 1.00 0.00 C ATOM 0 H ILE A 36 53.669 50.082 17.687 1.00 0.00 H new ATOM 0 HA ILE A 36 55.910 48.416 18.209 1.00 0.00 H new ATOM 0 HB ILE A 36 53.048 48.254 19.089 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.273 49.442 20.729 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.390 50.424 19.577 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.051 47.013 21.038 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.360 46.180 19.496 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.649 47.137 20.265 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.415 50.623 21.827 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.256 49.860 20.713 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.153 48.863 21.882 1.00 0.00 H new ATOM 582 N PRO A 37 55.523 46.326 16.778 1.00 0.00 N ATOM 583 CA PRO A 37 55.308 45.237 15.845 1.00 0.00 C ATOM 584 C PRO A 37 54.295 44.220 16.374 1.00 0.00 C ATOM 585 O PRO A 37 54.446 43.793 17.516 1.00 0.00 O ATOM 586 CB PRO A 37 56.664 44.584 15.595 1.00 0.00 C ATOM 587 CG PRO A 37 57.675 45.623 16.072 1.00 0.00 C ATOM 588 CD PRO A 37 56.919 46.371 17.166 1.00 0.00 C ATOM 0 HA PRO A 37 54.886 45.622 14.916 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.763 43.649 16.147 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.804 44.348 14.540 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.581 45.155 16.457 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.978 46.290 15.265 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.071 45.902 18.138 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.269 47.400 17.251 1.00 0.00 H new ATOM 596 N PRO A 38 53.287 43.801 15.614 1.00 0.00 N ATOM 597 CA PRO A 38 52.220 42.954 16.106 1.00 0.00 C ATOM 598 C PRO A 38 52.658 41.628 16.733 1.00 0.00 C ATOM 599 O PRO A 38 52.056 41.207 17.719 1.00 0.00 O ATOM 600 CB PRO A 38 51.293 42.712 14.918 1.00 0.00 C ATOM 601 CG PRO A 38 51.457 43.987 14.098 1.00 0.00 C ATOM 602 CD PRO A 38 52.933 44.315 14.306 1.00 0.00 C ATOM 0 HA PRO A 38 51.734 43.469 16.935 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.583 41.827 14.352 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.260 42.564 15.234 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.219 43.828 13.046 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.808 44.787 14.454 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.546 43.856 13.530 1.00 0.00 H new ATOM 0 HD3 PRO A 38 53.103 45.390 14.252 1.00 0.00 H new ATOM 610 N ASP A 39 53.729 41.010 16.244 1.00 0.00 N ATOM 611 CA ASP A 39 54.282 39.798 16.815 1.00 0.00 C ATOM 612 C ASP A 39 54.881 39.995 18.209 1.00 0.00 C ATOM 613 O ASP A 39 54.925 39.049 18.992 1.00 0.00 O ATOM 614 CB ASP A 39 55.301 39.192 15.853 1.00 0.00 C ATOM 615 CG ASP A 39 56.570 40.033 15.695 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.523 41.063 14.990 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.625 39.628 16.228 1.00 0.00 O ATOM 0 H ASP A 39 54.240 41.346 15.428 1.00 0.00 H new ATOM 0 HA ASP A 39 53.454 39.103 16.953 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.576 38.198 16.206 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.835 39.065 14.876 1.00 0.00 H new ATOM 622 N GLN A 40 55.292 41.216 18.542 1.00 0.00 N ATOM 623 CA GLN A 40 55.798 41.594 19.846 1.00 0.00 C ATOM 624 C GLN A 40 54.712 42.112 20.791 1.00 0.00 C ATOM 625 O GLN A 40 54.998 42.365 21.959 1.00 0.00 O ATOM 626 CB GLN A 40 56.905 42.637 19.707 1.00 0.00 C ATOM 627 CG GLN A 40 58.070 42.213 18.817 1.00 0.00 C ATOM 628 CD GLN A 40 59.373 42.876 19.267 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.755 43.957 18.825 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.075 42.284 20.229 1.00 0.00 N ATOM 0 H GLN A 40 55.279 41.994 17.882 1.00 0.00 H new ATOM 0 HA GLN A 40 56.198 40.684 20.293 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.474 43.554 19.306 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.290 42.873 20.699 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.180 41.129 18.848 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.859 42.483 17.782 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.769 41.386 20.605 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.919 42.727 20.591 1.00 0.00 H new ATOM 639 N GLN A 41 53.479 42.284 20.323 1.00 0.00 N ATOM 640 CA GLN A 41 52.352 42.722 21.122 1.00 0.00 C ATOM 641 C GLN A 41 51.668 41.543 21.816 1.00 0.00 C ATOM 642 O GLN A 41 51.508 40.474 21.232 1.00 0.00 O ATOM 643 CB GLN A 41 51.313 43.442 20.267 1.00 0.00 C ATOM 644 CG GLN A 41 51.747 44.751 19.612 1.00 0.00 C ATOM 645 CD GLN A 41 50.620 45.343 18.764 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.438 45.197 19.070 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.888 46.022 17.651 1.00 0.00 N ATOM 0 H GLN A 41 53.235 42.116 19.347 1.00 0.00 H new ATOM 0 HA GLN A 41 52.751 43.406 21.871 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.989 42.760 19.481 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.443 43.647 20.891 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.042 45.466 20.381 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.623 44.576 18.987 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.856 46.166 17.362 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.126 46.399 17.087 1.00 0.00 H new ATOM 656 N ARG A 42 51.124 41.793 23.004 1.00 0.00 N ATOM 657 CA ARG A 42 50.056 41.023 23.608 1.00 0.00 C ATOM 658 C ARG A 42 49.125 42.003 24.326 1.00 0.00 C ATOM 659 O ARG A 42 49.618 42.975 24.895 1.00 0.00 O ATOM 660 CB ARG A 42 50.634 40.003 24.584 1.00 0.00 C ATOM 661 CG ARG A 42 49.733 38.812 24.900 1.00 0.00 C ATOM 662 CD ARG A 42 49.756 37.768 23.787 1.00 0.00 C ATOM 663 NE ARG A 42 49.285 36.466 24.262 1.00 0.00 N ATOM 664 CZ ARG A 42 48.677 35.516 23.539 1.00 0.00 C ATOM 665 NH1 ARG A 42 48.179 35.730 22.314 1.00 0.00 N ATOM 666 NH2 ARG A 42 48.558 34.288 24.064 1.00 0.00 N ATOM 0 H ARG A 42 51.432 42.569 23.590 1.00 0.00 H new ATOM 0 HA ARG A 42 49.500 40.472 22.850 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.573 39.628 24.177 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.873 40.514 25.517 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.054 38.353 25.835 1.00 0.00 H new ATOM 0 HG3 ARG A 42 48.711 39.160 25.050 1.00 0.00 H new ATOM 0 HD2 ARG A 42 49.130 38.103 22.960 1.00 0.00 H new ATOM 0 HD3 ARG A 42 50.770 37.670 23.400 1.00 0.00 H new ATOM 0 HE ARG A 42 49.436 36.260 25.249 1.00 0.00 H new ATOM 0 HH11 ARG A 42 48.253 36.654 21.887 1.00 0.00 H new ATOM 0 HH12 ARG A 42 47.725 34.969 21.808 1.00 0.00 H new ATOM 0 HH21 ARG A 42 48.927 34.093 24.995 1.00 0.00 H new ATOM 0 HH22 ARG A 42 48.099 33.548 23.532 1.00 0.00 H new ATOM 680 N LEU A 43 47.817 41.761 24.306 1.00 0.00 N ATOM 681 CA LEU A 43 46.864 42.503 25.106 1.00 0.00 C ATOM 682 C LEU A 43 46.451 41.695 26.338 1.00 0.00 C ATOM 683 O LEU A 43 45.904 40.600 26.226 1.00 0.00 O ATOM 684 CB LEU A 43 45.672 42.948 24.263 1.00 0.00 C ATOM 685 CG LEU A 43 45.995 44.014 23.221 1.00 0.00 C ATOM 686 CD1 LEU A 43 44.732 44.385 22.448 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.552 45.291 23.845 1.00 0.00 C ATOM 0 H LEU A 43 47.391 41.037 23.727 1.00 0.00 H new ATOM 0 HA LEU A 43 47.342 43.413 25.470 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.257 42.077 23.756 1.00 0.00 H new ATOM 0 HB3 LEU A 43 44.897 43.330 24.927 1.00 0.00 H new ATOM 0 HG LEU A 43 46.752 43.587 22.564 1.00 0.00 H new ATOM 0 HD11 LEU A 43 44.970 45.147 21.706 1.00 0.00 H new ATOM 0 HD12 LEU A 43 44.339 43.500 21.947 1.00 0.00 H new ATOM 0 HD13 LEU A 43 43.983 44.773 23.139 1.00 0.00 H new ATOM 0 HD21 LEU A 43 46.765 46.017 23.060 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.819 45.708 24.536 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.470 45.061 24.386 1.00 0.00 H new ATOM 699 N ILE A 44 46.723 42.262 27.509 1.00 0.00 N ATOM 700 CA ILE A 44 46.354 41.734 28.808 1.00 0.00 C ATOM 701 C ILE A 44 45.160 42.524 29.349 1.00 0.00 C ATOM 702 O ILE A 44 45.187 43.752 29.351 1.00 0.00 O ATOM 703 CB ILE A 44 47.535 41.750 29.773 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.859 41.269 29.187 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.197 40.951 31.029 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.858 39.873 28.570 1.00 0.00 C ATOM 0 H ILE A 44 47.231 43.144 27.576 1.00 0.00 H new ATOM 0 HA ILE A 44 46.062 40.689 28.702 1.00 0.00 H new ATOM 0 HB ILE A 44 47.693 42.801 30.013 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.174 41.980 28.423 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.611 41.294 29.975 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.047 40.969 31.711 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.329 41.393 31.519 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.973 39.920 30.755 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.853 39.643 28.188 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.582 39.140 29.328 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.138 39.837 27.752 1.00 0.00 H new ATOM 718 N PHE A 45 44.129 41.831 29.826 1.00 0.00 N ATOM 719 CA PHE A 45 42.972 42.398 30.488 1.00 0.00 C ATOM 720 C PHE A 45 42.649 41.612 31.760 1.00 0.00 C ATOM 721 O PHE A 45 42.523 40.391 31.705 1.00 0.00 O ATOM 722 CB PHE A 45 41.779 42.402 29.536 1.00 0.00 C ATOM 723 CG PHE A 45 40.493 42.873 30.173 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.274 44.237 30.398 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.533 41.943 30.589 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.104 44.667 31.036 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.365 42.370 31.231 1.00 0.00 C ATOM 728 CZ PHE A 45 38.147 43.735 31.454 1.00 0.00 C ATOM 0 H PHE A 45 44.082 40.815 29.755 1.00 0.00 H new ATOM 0 HA PHE A 45 43.193 43.427 30.772 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.008 43.043 28.684 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.633 41.394 29.147 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.010 44.960 30.079 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.695 40.890 30.413 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.940 45.721 31.206 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.632 41.646 31.555 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.245 44.067 31.946 1.00 0.00 H new ATOM 738 N ALA A 46 42.519 42.293 32.895 1.00 0.00 N ATOM 739 CA ALA A 46 42.239 41.697 34.186 1.00 0.00 C ATOM 740 C ALA A 46 43.107 40.479 34.509 1.00 0.00 C ATOM 741 O ALA A 46 42.633 39.455 34.994 1.00 0.00 O ATOM 742 CB ALA A 46 40.735 41.466 34.306 1.00 0.00 C ATOM 0 H ALA A 46 42.610 43.308 32.937 1.00 0.00 H new ATOM 0 HA ALA A 46 42.532 42.396 34.970 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.512 41.017 35.274 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.212 42.419 34.218 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.405 40.797 33.511 1.00 0.00 H new ATOM 748 N GLY A 47 44.399 40.558 34.202 1.00 0.00 N ATOM 749 CA GLY A 47 45.388 39.517 34.402 1.00 0.00 C ATOM 750 C GLY A 47 45.413 38.388 33.370 1.00 0.00 C ATOM 751 O GLY A 47 46.269 37.511 33.465 1.00 0.00 O ATOM 0 H GLY A 47 44.800 41.398 33.785 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.373 39.983 34.421 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.224 39.076 35.385 1.00 0.00 H new ATOM 755 N LYS A 48 44.512 38.383 32.391 1.00 0.00 N ATOM 756 CA LYS A 48 44.366 37.362 31.375 1.00 0.00 C ATOM 757 C LYS A 48 44.970 37.821 30.045 1.00 0.00 C ATOM 758 O LYS A 48 44.702 38.943 29.623 1.00 0.00 O ATOM 759 CB LYS A 48 42.889 37.033 31.186 1.00 0.00 C ATOM 760 CG LYS A 48 42.227 36.431 32.421 1.00 0.00 C ATOM 761 CD LYS A 48 40.704 36.534 32.365 1.00 0.00 C ATOM 762 CE LYS A 48 40.251 37.964 32.640 1.00 0.00 C ATOM 763 NZ LYS A 48 38.791 38.090 32.522 1.00 0.00 N ATOM 0 H LYS A 48 43.831 39.135 32.286 1.00 0.00 H new ATOM 0 HA LYS A 48 44.900 36.471 31.703 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.357 37.943 30.908 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.786 36.336 30.354 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.516 35.384 32.512 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.592 36.941 33.312 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.349 36.217 31.385 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.262 35.860 33.098 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.565 38.262 33.640 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.735 38.643 31.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.511 39.073 32.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.497 37.828 31.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.331 37.458 33.209 1.00 0.00 H new ATOM 777 N GLN A 49 45.729 36.968 29.365 1.00 0.00 N ATOM 778 CA GLN A 49 46.198 37.232 28.019 1.00 0.00 C ATOM 779 C GLN A 49 45.104 36.920 26.996 1.00 0.00 C ATOM 780 O GLN A 49 44.477 35.864 27.052 1.00 0.00 O ATOM 781 CB GLN A 49 47.525 36.543 27.715 1.00 0.00 C ATOM 782 CG GLN A 49 47.594 35.044 27.993 1.00 0.00 C ATOM 783 CD GLN A 49 48.884 34.383 27.502 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.608 34.879 26.643 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.203 33.187 27.990 1.00 0.00 N ATOM 0 H GLN A 49 46.035 36.070 29.739 1.00 0.00 H new ATOM 0 HA GLN A 49 46.413 38.298 27.942 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.761 36.706 26.663 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.305 37.034 28.297 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.498 34.878 29.066 1.00 0.00 H new ATOM 0 HG3 GLN A 49 46.743 34.556 27.517 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.617 32.755 28.704 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.034 32.702 27.650 1.00 0.00 H new ATOM 794 N LEU A 50 44.854 37.850 26.077 1.00 0.00 N ATOM 795 CA LEU A 50 43.817 37.753 25.070 1.00 0.00 C ATOM 796 C LEU A 50 44.387 37.304 23.722 1.00 0.00 C ATOM 797 O LEU A 50 45.516 37.648 23.382 1.00 0.00 O ATOM 798 CB LEU A 50 43.070 39.081 24.964 1.00 0.00 C ATOM 799 CG LEU A 50 42.562 39.701 26.261 1.00 0.00 C ATOM 800 CD1 LEU A 50 41.654 40.877 25.906 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.775 38.748 27.155 1.00 0.00 C ATOM 0 H LEU A 50 45.388 38.717 26.017 1.00 0.00 H new ATOM 0 HA LEU A 50 43.103 36.987 25.374 1.00 0.00 H new ATOM 0 HB2 LEU A 50 43.730 39.802 24.481 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.216 38.936 24.302 1.00 0.00 H new ATOM 0 HG LEU A 50 43.445 39.998 26.826 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.279 41.336 26.821 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.219 41.614 25.336 1.00 0.00 H new ATOM 0 HD13 LEU A 50 40.815 40.521 25.308 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.454 39.274 28.054 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.901 38.382 26.616 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.408 37.905 27.435 1.00 0.00 H new ATOM 813 N GLU A 51 43.616 36.547 22.946 1.00 0.00 N ATOM 814 CA GLU A 51 44.096 35.800 21.800 1.00 0.00 C ATOM 815 C GLU A 51 43.501 36.233 20.459 1.00 0.00 C ATOM 816 O GLU A 51 42.332 36.598 20.352 1.00 0.00 O ATOM 817 CB GLU A 51 43.862 34.308 22.013 1.00 0.00 C ATOM 818 CG GLU A 51 44.622 33.738 23.208 1.00 0.00 C ATOM 819 CD GLU A 51 44.467 32.217 23.242 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.147 31.536 22.444 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.639 31.700 24.024 1.00 0.00 O ATOM 0 H GLU A 51 42.615 36.437 23.106 1.00 0.00 H new ATOM 0 HA GLU A 51 45.162 36.019 21.735 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.795 34.132 22.153 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.159 33.769 21.113 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.677 34.004 23.140 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.243 34.172 24.133 1.00 0.00 H new ATOM 828 N ASP A 52 44.314 36.131 19.411 1.00 0.00 N ATOM 829 CA ASP A 52 44.083 36.644 18.076 1.00 0.00 C ATOM 830 C ASP A 52 42.759 36.251 17.417 1.00 0.00 C ATOM 831 O ASP A 52 42.229 37.036 16.634 1.00 0.00 O ATOM 832 CB ASP A 52 45.220 36.185 17.166 1.00 0.00 C ATOM 833 CG ASP A 52 46.564 36.821 17.527 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.245 36.304 18.439 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.959 37.807 16.868 1.00 0.00 O ATOM 0 H ASP A 52 45.212 35.653 19.484 1.00 0.00 H new ATOM 0 HA ASP A 52 44.037 37.726 18.201 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.310 35.100 17.224 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.973 36.430 16.133 1.00 0.00 H new ATOM 840 N GLY A 53 42.230 35.065 17.706 1.00 0.00 N ATOM 841 CA GLY A 53 41.004 34.562 17.119 1.00 0.00 C ATOM 842 C GLY A 53 39.717 34.960 17.844 1.00 0.00 C ATOM 843 O GLY A 53 38.640 34.787 17.278 1.00 0.00 O ATOM 0 H GLY A 53 42.655 34.418 18.370 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.944 34.913 16.089 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.059 33.474 17.082 1.00 0.00 H new ATOM 847 N ARG A 54 39.796 35.469 19.070 1.00 0.00 N ATOM 848 CA ARG A 54 38.665 35.737 19.936 1.00 0.00 C ATOM 849 C ARG A 54 38.339 37.230 20.001 1.00 0.00 C ATOM 850 O ARG A 54 39.199 38.059 19.712 1.00 0.00 O ATOM 851 CB ARG A 54 38.942 35.186 21.331 1.00 0.00 C ATOM 852 CG ARG A 54 39.484 33.763 21.436 1.00 0.00 C ATOM 853 CD ARG A 54 38.596 32.675 20.840 1.00 0.00 C ATOM 854 NE ARG A 54 39.170 31.361 21.134 1.00 0.00 N ATOM 855 CZ ARG A 54 38.721 30.150 20.777 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.628 29.971 20.022 1.00 0.00 N ATOM 857 NH2 ARG A 54 39.381 29.062 21.197 1.00 0.00 N ATOM 0 H ARG A 54 40.688 35.714 19.499 1.00 0.00 H new ATOM 0 HA ARG A 54 37.792 35.236 19.517 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.652 35.853 21.820 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.014 35.235 21.901 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.455 33.726 20.942 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.652 33.534 22.488 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.590 32.745 21.253 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.508 32.812 19.762 1.00 0.00 H new ATOM 0 HE ARG A 54 40.028 31.368 21.685 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.098 30.778 19.693 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.326 29.028 19.777 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.212 29.163 21.780 1.00 0.00 H new ATOM 0 HH22 ARG A 54 39.052 28.133 20.934 1.00 0.00 H new ATOM 871 N THR A 55 37.110 37.578 20.373 1.00 0.00 N ATOM 872 CA THR A 55 36.601 38.934 20.356 1.00 0.00 C ATOM 873 C THR A 55 36.447 39.578 21.735 1.00 0.00 C ATOM 874 O THR A 55 36.364 38.908 22.762 1.00 0.00 O ATOM 875 CB THR A 55 35.273 39.060 19.616 1.00 0.00 C ATOM 876 OG1 THR A 55 34.218 38.514 20.377 1.00 0.00 O ATOM 877 CG2 THR A 55 35.245 38.414 18.233 1.00 0.00 C ATOM 0 H THR A 55 36.425 36.898 20.704 1.00 0.00 H new ATOM 0 HA THR A 55 37.379 39.477 19.819 1.00 0.00 H new ATOM 0 HB THR A 55 35.147 40.133 19.473 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.283 37.536 20.372 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.261 38.555 17.785 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.002 38.877 17.600 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.452 37.348 18.325 1.00 0.00 H new ATOM 885 N LEU A 56 36.315 40.903 21.753 1.00 0.00 N ATOM 886 CA LEU A 56 36.010 41.660 22.949 1.00 0.00 C ATOM 887 C LEU A 56 34.702 41.225 23.612 1.00 0.00 C ATOM 888 O LEU A 56 34.617 41.221 24.838 1.00 0.00 O ATOM 889 CB LEU A 56 36.015 43.149 22.618 1.00 0.00 C ATOM 890 CG LEU A 56 37.313 43.693 22.030 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.150 45.172 21.689 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.502 43.554 22.976 1.00 0.00 C ATOM 0 H LEU A 56 36.420 41.483 20.920 1.00 0.00 H new ATOM 0 HA LEU A 56 36.786 41.456 23.687 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.207 43.348 21.914 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.789 43.705 23.528 1.00 0.00 H new ATOM 0 HG LEU A 56 37.516 43.099 21.139 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.081 45.553 21.270 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.348 45.291 20.960 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.904 45.729 22.593 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.395 43.959 22.500 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.301 44.103 23.896 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.661 42.501 23.209 1.00 0.00 H new ATOM 904 N SER A 57 33.707 40.788 22.846 1.00 0.00 N ATOM 905 CA SER A 57 32.475 40.221 23.356 1.00 0.00 C ATOM 906 C SER A 57 32.605 38.802 23.913 1.00 0.00 C ATOM 907 O SER A 57 31.881 38.464 24.847 1.00 0.00 O ATOM 908 CB SER A 57 31.395 40.230 22.278 1.00 0.00 C ATOM 909 OG SER A 57 31.021 41.560 21.994 1.00 0.00 O ATOM 0 H SER A 57 33.742 40.822 21.827 1.00 0.00 H new ATOM 0 HA SER A 57 32.200 40.861 24.194 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.765 39.745 21.375 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.528 39.661 22.613 1.00 0.00 H new ATOM 0 HG SER A 57 31.719 41.988 21.456 1.00 0.00 H new ATOM 915 N ASP A 58 33.534 37.985 23.425 1.00 0.00 N ATOM 916 CA ASP A 58 33.869 36.725 24.057 1.00 0.00 C ATOM 917 C ASP A 58 34.477 36.957 25.442 1.00 0.00 C ATOM 918 O ASP A 58 34.101 36.302 26.413 1.00 0.00 O ATOM 919 CB ASP A 58 34.856 35.918 23.217 1.00 0.00 C ATOM 920 CG ASP A 58 34.308 35.495 21.853 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.408 34.626 21.822 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.811 35.979 20.817 1.00 0.00 O ATOM 0 H ASP A 58 34.072 38.183 22.581 1.00 0.00 H new ATOM 0 HA ASP A 58 32.940 36.162 24.150 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.759 36.510 23.067 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.147 35.027 23.773 1.00 0.00 H new ATOM 927 N TYR A 59 35.371 37.936 25.538 1.00 0.00 N ATOM 928 CA TYR A 59 36.033 38.334 26.764 1.00 0.00 C ATOM 929 C TYR A 59 35.218 39.267 27.663 1.00 0.00 C ATOM 930 O TYR A 59 35.694 39.626 28.737 1.00 0.00 O ATOM 931 CB TYR A 59 37.406 38.907 26.423 1.00 0.00 C ATOM 932 CG TYR A 59 38.356 37.948 25.747 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.641 36.705 26.324 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.978 38.317 24.548 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.565 35.837 25.730 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.915 37.467 23.949 1.00 0.00 C ATOM 937 CZ TYR A 59 40.215 36.225 24.542 1.00 0.00 C ATOM 938 OH TYR A 59 41.133 35.403 23.957 1.00 0.00 O ATOM 0 H TYR A 59 35.661 38.490 24.732 1.00 0.00 H new ATOM 0 HA TYR A 59 36.146 37.437 27.373 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.269 39.774 25.776 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.870 39.265 27.342 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.143 36.413 27.237 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.734 39.261 24.084 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.778 34.878 26.179 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.407 37.763 23.034 1.00 0.00 H new ATOM 0 HH TYR A 59 40.906 34.469 24.150 1.00 0.00 H new ATOM 948 N ASN A 60 33.995 39.625 27.283 1.00 0.00 N ATOM 949 CA ASN A 60 33.078 40.422 28.072 1.00 0.00 C ATOM 950 C ASN A 60 33.647 41.787 28.465 1.00 0.00 C ATOM 951 O ASN A 60 33.563 42.211 29.616 1.00 0.00 O ATOM 952 CB ASN A 60 32.534 39.547 29.198 1.00 0.00 C ATOM 953 CG ASN A 60 31.249 40.034 29.870 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.732 41.124 29.638 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.680 39.180 30.717 1.00 0.00 N ATOM 0 H ASN A 60 33.606 39.354 26.380 1.00 0.00 H new ATOM 0 HA ASN A 60 32.219 40.729 27.476 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.355 38.548 28.800 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.306 39.452 29.962 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.806 39.428 31.181 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.118 38.278 30.902 1.00 0.00 H new ATOM 962 N ILE A 61 34.259 42.480 27.510 1.00 0.00 N ATOM 963 CA ILE A 61 34.912 43.762 27.680 1.00 0.00 C ATOM 964 C ILE A 61 34.004 44.887 27.179 1.00 0.00 C ATOM 965 O ILE A 61 33.614 44.917 26.014 1.00 0.00 O ATOM 966 CB ILE A 61 36.282 43.777 27.008 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.164 42.652 27.543 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.961 45.127 27.217 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.570 42.559 26.958 1.00 0.00 C ATOM 0 H ILE A 61 34.312 42.140 26.550 1.00 0.00 H new ATOM 0 HA ILE A 61 35.088 43.930 28.743 1.00 0.00 H new ATOM 0 HB ILE A 61 36.138 43.618 25.939 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.250 42.769 28.623 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.656 41.704 27.364 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.937 45.122 26.732 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.345 45.915 26.784 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.087 45.310 28.284 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.100 41.723 27.415 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.506 42.403 25.881 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.110 43.484 27.160 1.00 0.00 H new ATOM 981 N GLN A 62 33.660 45.812 28.071 1.00 0.00 N ATOM 982 CA GLN A 62 32.851 46.984 27.802 1.00 0.00 C ATOM 983 C GLN A 62 33.693 48.216 27.460 1.00 0.00 C ATOM 984 O GLN A 62 34.886 48.273 27.746 1.00 0.00 O ATOM 985 CB GLN A 62 31.954 47.240 29.009 1.00 0.00 C ATOM 986 CG GLN A 62 30.906 46.149 29.207 1.00 0.00 C ATOM 987 CD GLN A 62 30.221 46.284 30.568 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.057 46.662 30.677 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.908 45.940 31.653 1.00 0.00 N ATOM 0 H GLN A 62 33.955 45.756 29.046 1.00 0.00 H new ATOM 0 HA GLN A 62 32.241 46.792 26.919 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.570 47.313 29.905 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.454 48.201 28.887 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.161 46.208 28.414 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.377 45.169 29.129 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.874 45.626 31.566 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.469 45.990 32.572 1.00 0.00 H new ATOM 998 N LYS A 63 33.059 49.228 26.874 1.00 0.00 N ATOM 999 CA LYS A 63 33.675 50.462 26.429 1.00 0.00 C ATOM 1000 C LYS A 63 34.470 51.181 27.520 1.00 0.00 C ATOM 1001 O LYS A 63 34.124 51.128 28.698 1.00 0.00 O ATOM 1002 CB LYS A 63 32.614 51.364 25.804 1.00 0.00 C ATOM 1003 CG LYS A 63 31.580 51.920 26.779 1.00 0.00 C ATOM 1004 CD LYS A 63 30.390 52.517 26.034 1.00 0.00 C ATOM 1005 CE LYS A 63 29.385 53.113 27.017 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.160 53.553 26.335 1.00 0.00 N ATOM 0 H LYS A 63 32.056 49.203 26.691 1.00 0.00 H new ATOM 0 HA LYS A 63 34.417 50.203 25.674 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.113 52.199 25.313 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.094 50.803 25.028 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.237 51.126 27.442 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.040 52.683 27.407 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.735 53.288 25.346 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.906 51.747 25.433 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.134 52.372 27.776 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.838 53.959 27.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.499 53.953 27.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.398 54.278 25.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.715 52.741 25.862 1.00 0.00 H new ATOM 1020 N GLU A 64 35.540 51.860 27.115 1.00 0.00 N ATOM 1021 CA GLU A 64 36.476 52.595 27.943 1.00 0.00 C ATOM 1022 C GLU A 64 37.253 51.752 28.955 1.00 0.00 C ATOM 1023 O GLU A 64 37.890 52.294 29.857 1.00 0.00 O ATOM 1024 CB GLU A 64 35.835 53.844 28.539 1.00 0.00 C ATOM 1025 CG GLU A 64 35.313 54.820 27.489 1.00 0.00 C ATOM 1026 CD GLU A 64 34.565 55.985 28.141 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.328 56.070 27.981 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.200 56.816 28.826 1.00 0.00 O ATOM 0 H GLU A 64 35.788 51.911 26.127 1.00 0.00 H new ATOM 0 HA GLU A 64 37.261 52.932 27.266 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.011 53.546 29.188 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.566 54.354 29.166 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.146 55.203 26.899 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.649 54.297 26.801 1.00 0.00 H new ATOM 1035 N SER A 65 37.263 50.432 28.789 1.00 0.00 N ATOM 1036 CA SER A 65 38.176 49.523 29.450 1.00 0.00 C ATOM 1037 C SER A 65 39.623 49.710 28.990 1.00 0.00 C ATOM 1038 O SER A 65 39.867 50.139 27.864 1.00 0.00 O ATOM 1039 CB SER A 65 37.769 48.068 29.239 1.00 0.00 C ATOM 1040 OG SER A 65 36.506 47.809 29.808 1.00 0.00 O ATOM 0 H SER A 65 36.610 49.956 28.167 1.00 0.00 H new ATOM 0 HA SER A 65 38.118 49.765 30.511 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.744 47.845 28.172 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.515 47.410 29.685 1.00 0.00 H new ATOM 0 HG SER A 65 35.804 48.158 29.219 1.00 0.00 H new ATOM 1046 N THR A 66 40.575 49.342 29.843 1.00 0.00 N ATOM 1047 CA THR A 66 41.999 49.473 29.604 1.00 0.00 C ATOM 1048 C THR A 66 42.677 48.105 29.518 1.00 0.00 C ATOM 1049 O THR A 66 42.567 47.283 30.425 1.00 0.00 O ATOM 1050 CB THR A 66 42.687 50.332 30.662 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.028 51.573 30.778 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.143 50.627 30.313 1.00 0.00 C ATOM 0 H THR A 66 40.362 48.930 30.751 1.00 0.00 H new ATOM 0 HA THR A 66 42.105 49.979 28.644 1.00 0.00 H new ATOM 0 HB THR A 66 42.647 49.766 31.593 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.474 52.118 31.460 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.588 51.241 31.096 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.694 49.690 30.229 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.189 51.161 29.364 1.00 0.00 H new ATOM 1060 N LEU A 67 43.426 47.896 28.439 1.00 0.00 N ATOM 1061 CA LEU A 67 44.260 46.733 28.210 1.00 0.00 C ATOM 1062 C LEU A 67 45.738 47.126 28.264 1.00 0.00 C ATOM 1063 O LEU A 67 46.086 48.267 27.967 1.00 0.00 O ATOM 1064 CB LEU A 67 43.889 46.054 26.894 1.00 0.00 C ATOM 1065 CG LEU A 67 42.426 45.635 26.784 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.571 46.675 26.067 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.307 44.339 25.987 1.00 0.00 C ATOM 0 H LEU A 67 43.466 48.565 27.670 1.00 0.00 H new ATOM 0 HA LEU A 67 44.085 46.005 29.002 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.122 46.732 26.073 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.516 45.172 26.766 1.00 0.00 H new ATOM 0 HG LEU A 67 42.070 45.516 27.807 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.540 46.326 26.017 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.609 47.617 26.614 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.953 46.826 25.057 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.258 44.051 25.916 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.711 44.489 24.986 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.867 43.550 26.489 1.00 0.00 H new ATOM 1079 N HIS A 68 46.619 46.202 28.632 1.00 0.00 N ATOM 1080 CA HIS A 68 48.030 46.456 28.842 1.00 0.00 C ATOM 1081 C HIS A 68 48.918 45.599 27.938 1.00 0.00 C ATOM 1082 O HIS A 68 48.580 44.452 27.655 1.00 0.00 O ATOM 1083 CB HIS A 68 48.391 46.223 30.306 1.00 0.00 C ATOM 1084 CG HIS A 68 47.770 47.187 31.281 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.468 48.142 32.018 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.454 47.210 31.663 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.563 48.742 32.795 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.344 48.208 32.610 1.00 0.00 N ATOM 0 H HIS A 68 46.358 45.230 28.796 1.00 0.00 H new ATOM 0 HA HIS A 68 48.214 47.498 28.580 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.093 45.211 30.580 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.475 46.275 30.409 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.662 46.574 31.296 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.781 49.548 33.480 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.487 48.491 33.086 1.00 0.00 H new ATOM 1096 N LEU A 69 50.079 46.128 27.561 1.00 0.00 N ATOM 1097 CA LEU A 69 51.208 45.388 27.035 1.00 0.00 C ATOM 1098 C LEU A 69 52.250 45.244 28.148 1.00 0.00 C ATOM 1099 O LEU A 69 52.518 46.217 28.848 1.00 0.00 O ATOM 1100 CB LEU A 69 51.748 46.105 25.802 1.00 0.00 C ATOM 1101 CG LEU A 69 52.308 45.225 24.687 1.00 0.00 C ATOM 1102 CD1 LEU A 69 52.929 46.115 23.615 1.00 0.00 C ATOM 1103 CD2 LEU A 69 53.366 44.217 25.128 1.00 0.00 C ATOM 0 H LEU A 69 50.260 47.130 27.619 1.00 0.00 H new ATOM 0 HA LEU A 69 50.920 44.386 26.717 1.00 0.00 H new ATOM 0 HB2 LEU A 69 50.946 46.714 25.384 1.00 0.00 H new ATOM 0 HB3 LEU A 69 52.534 46.789 26.123 1.00 0.00 H new ATOM 0 HG LEU A 69 51.459 44.647 24.321 1.00 0.00 H new ATOM 0 HD11 LEU A 69 53.331 45.494 22.815 1.00 0.00 H new ATOM 0 HD12 LEU A 69 52.168 46.781 23.209 1.00 0.00 H new ATOM 0 HD13 LEU A 69 53.732 46.707 24.054 1.00 0.00 H new ATOM 0 HD21 LEU A 69 53.701 43.640 24.266 1.00 0.00 H new ATOM 0 HD22 LEU A 69 54.214 44.746 25.562 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.939 43.543 25.871 1.00 0.00 H new ATOM 1115 N VAL A 70 52.823 44.058 28.331 1.00 0.00 N ATOM 1116 CA VAL A 70 53.689 43.696 29.434 1.00 0.00 C ATOM 1117 C VAL A 70 54.866 42.853 28.939 1.00 0.00 C ATOM 1118 O VAL A 70 54.710 42.045 28.027 1.00 0.00 O ATOM 1119 CB VAL A 70 52.903 42.946 30.505 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.725 42.721 31.770 1.00 0.00 C ATOM 1121 CG2 VAL A 70 51.635 43.672 30.948 1.00 0.00 C ATOM 0 H VAL A 70 52.685 43.288 27.677 1.00 0.00 H new ATOM 0 HA VAL A 70 54.086 44.610 29.876 1.00 0.00 H new ATOM 0 HB VAL A 70 52.645 42.002 30.024 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.124 42.184 32.504 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.612 42.135 31.528 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.027 43.683 32.183 1.00 0.00 H new ATOM 0 HG21 VAL A 70 51.126 43.083 31.711 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.898 44.647 31.359 1.00 0.00 H new ATOM 0 HG23 VAL A 70 50.974 43.806 30.092 1.00 0.00 H new