USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 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=-0.00301 (180deg=-0.00301) USER MOD Single : A 1 MET N :NH3+ -153:sc= 2.41 (180deg=2.08) 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+ 146:sc= 1.22 (180deg=0.00207!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -60:sc= 0.15 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00342 USER MOD Single : A 25 ASN : amide:sc= 1.13 K(o=1.1,f=-0.52) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0.846 (180deg=0.515) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 1.08 (180deg=1.04) USER MOD Single : A 31 GLN : amide:sc= -0.836 X(o=-0.84,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.76 K(o=1.8,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 55 THR OG1 : rot -71:sc= 1.25 USER MOD Single : A 57 SER OG : rot 49:sc= 0.849 USER MOD Single : A 59 TYR OH : rot 151:sc= 0.0656 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 62:sc= 1.09 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.050 51.791 20.104 1.00 0.00 N ATOM 2 CA MET A 1 33.302 51.645 21.546 1.00 0.00 C ATOM 3 C MET A 1 34.695 52.190 21.868 1.00 0.00 C ATOM 4 O MET A 1 35.687 51.670 21.361 1.00 0.00 O ATOM 5 CB MET A 1 33.167 50.194 22.003 1.00 0.00 C ATOM 6 CG MET A 1 33.314 50.058 23.515 1.00 0.00 C ATOM 7 SD MET A 1 33.216 48.371 24.166 1.00 0.00 S ATOM 8 CE MET A 1 31.435 48.076 24.044 1.00 0.00 C ATOM 0 H1 MET A 1 32.027 51.870 19.937 1.00 0.00 H new ATOM 0 H2 MET A 1 33.525 52.647 19.754 1.00 0.00 H new ATOM 0 H3 MET A 1 33.420 50.959 19.601 1.00 0.00 H new ATOM 0 HA MET A 1 32.550 52.217 22.090 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.196 49.806 21.696 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.924 49.586 21.508 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.273 50.486 23.808 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.539 50.657 23.992 1.00 0.00 H new ATOM 0 HE1 MET A 1 31.206 47.074 24.408 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.902 48.811 24.647 1.00 0.00 H new ATOM 0 HE3 MET A 1 31.122 48.164 23.004 1.00 0.00 H new ATOM 20 N GLN A 2 34.785 53.197 22.732 1.00 0.00 N ATOM 21 CA GLN A 2 36.048 53.740 23.187 1.00 0.00 C ATOM 22 C GLN A 2 36.659 52.882 24.298 1.00 0.00 C ATOM 23 O GLN A 2 35.944 52.453 25.201 1.00 0.00 O ATOM 24 CB GLN A 2 35.841 55.183 23.637 1.00 0.00 C ATOM 25 CG GLN A 2 37.150 55.946 23.811 1.00 0.00 C ATOM 26 CD GLN A 2 36.895 57.349 24.367 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.882 57.575 25.575 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.626 58.331 23.512 1.00 0.00 N ATOM 0 H GLN A 2 33.971 53.659 23.136 1.00 0.00 H new ATOM 0 HA GLN A 2 36.759 53.728 22.361 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.220 55.700 22.906 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.295 55.189 24.580 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.808 55.398 24.485 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.664 56.018 22.852 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.635 58.150 22.508 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.411 59.265 23.860 1.00 0.00 H new ATOM 37 N ILE A 3 37.973 52.681 24.245 1.00 0.00 N ATOM 38 CA ILE A 3 38.776 52.081 25.291 1.00 0.00 C ATOM 39 C ILE A 3 40.118 52.804 25.427 1.00 0.00 C ATOM 40 O ILE A 3 40.585 53.441 24.485 1.00 0.00 O ATOM 41 CB ILE A 3 39.001 50.589 25.062 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.659 50.303 23.715 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.701 49.806 25.224 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.147 48.867 23.545 1.00 0.00 C ATOM 0 H ILE A 3 38.527 52.947 23.431 1.00 0.00 H new ATOM 0 HA ILE A 3 38.218 52.189 26.221 1.00 0.00 H new ATOM 0 HB ILE A 3 39.697 50.249 25.829 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.947 50.528 22.921 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.504 50.979 23.586 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.891 48.746 25.055 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.313 49.949 26.233 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.969 50.163 24.500 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.601 48.751 22.561 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.885 48.640 24.314 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.304 48.183 23.639 1.00 0.00 H new ATOM 56 N PHE A 4 40.775 52.636 26.571 1.00 0.00 N ATOM 57 CA PHE A 4 42.160 53.005 26.781 1.00 0.00 C ATOM 58 C PHE A 4 43.090 51.794 26.680 1.00 0.00 C ATOM 59 O PHE A 4 42.735 50.694 27.100 1.00 0.00 O ATOM 60 CB PHE A 4 42.335 53.688 28.134 1.00 0.00 C ATOM 61 CG PHE A 4 41.542 54.958 28.328 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.805 56.073 27.523 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.587 55.043 29.348 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.120 57.274 27.740 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.905 56.246 29.567 1.00 0.00 C ATOM 66 CZ PHE A 4 40.173 57.364 28.767 1.00 0.00 C ATOM 0 H PHE A 4 40.340 52.227 27.398 1.00 0.00 H new ATOM 0 HA PHE A 4 42.433 53.705 25.991 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.055 52.983 28.916 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.392 53.915 28.273 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.538 56.006 26.733 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.377 54.182 29.965 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.322 58.131 27.115 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.170 56.312 30.355 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.651 58.293 28.942 1.00 0.00 H new ATOM 76 N VAL A 5 44.311 52.014 26.201 1.00 0.00 N ATOM 77 CA VAL A 5 45.425 51.089 26.264 1.00 0.00 C ATOM 78 C VAL A 5 46.606 51.767 26.962 1.00 0.00 C ATOM 79 O VAL A 5 46.935 52.910 26.650 1.00 0.00 O ATOM 80 CB VAL A 5 45.809 50.554 24.888 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.931 49.525 24.984 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.639 49.876 24.181 1.00 0.00 C ATOM 0 H VAL A 5 44.557 52.888 25.736 1.00 0.00 H new ATOM 0 HA VAL A 5 45.122 50.219 26.847 1.00 0.00 H new ATOM 0 HB VAL A 5 46.130 51.426 24.319 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.180 49.164 23.986 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.810 49.986 25.433 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.605 48.688 25.602 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.964 49.513 23.206 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.287 49.037 24.782 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.829 50.593 24.049 1.00 0.00 H new ATOM 92 N LYS A 6 47.245 51.069 27.896 1.00 0.00 N ATOM 93 CA LYS A 6 48.414 51.511 28.628 1.00 0.00 C ATOM 94 C LYS A 6 49.641 50.640 28.348 1.00 0.00 C ATOM 95 O LYS A 6 49.504 49.459 28.039 1.00 0.00 O ATOM 96 CB LYS A 6 48.131 51.527 30.127 1.00 0.00 C ATOM 97 CG LYS A 6 46.998 52.474 30.514 1.00 0.00 C ATOM 98 CD LYS A 6 46.813 52.521 32.028 1.00 0.00 C ATOM 99 CE LYS A 6 47.913 53.328 32.714 1.00 0.00 C ATOM 100 NZ LYS A 6 47.829 53.229 34.178 1.00 0.00 N ATOM 0 H LYS A 6 46.942 50.135 28.172 1.00 0.00 H new ATOM 0 HA LYS A 6 48.637 52.521 28.284 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.880 50.518 30.454 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.037 51.818 30.658 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.213 53.475 30.140 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.071 52.149 30.041 1.00 0.00 H new ATOM 0 HD2 LYS A 6 45.843 52.959 32.261 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.808 51.506 32.424 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.888 52.971 32.381 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.837 54.374 32.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.592 53.790 34.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.909 53.593 34.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.927 52.234 34.465 1.00 0.00 H new ATOM 168 N LYS A 11 53.077 55.245 28.269 1.00 0.00 N ATOM 169 CA LYS A 11 52.233 55.840 27.252 1.00 0.00 C ATOM 170 C LYS A 11 50.768 55.475 27.493 1.00 0.00 C ATOM 171 O LYS A 11 50.459 54.366 27.927 1.00 0.00 O ATOM 172 CB LYS A 11 52.733 55.481 25.856 1.00 0.00 C ATOM 173 CG LYS A 11 52.217 56.466 24.811 1.00 0.00 C ATOM 174 CD LYS A 11 52.803 56.247 23.419 1.00 0.00 C ATOM 175 CE LYS A 11 52.336 57.384 22.513 1.00 0.00 C ATOM 176 NZ LYS A 11 52.938 57.313 21.172 1.00 0.00 N ATOM 0 HA LYS A 11 52.292 56.926 27.320 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.823 55.477 25.848 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.409 54.473 25.600 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.131 56.387 24.755 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.446 57.481 25.137 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.892 56.223 23.466 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.480 55.286 23.019 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.250 57.352 22.424 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.590 58.339 22.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.256 57.658 20.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.793 57.904 21.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.191 56.327 20.957 1.00 0.00 H new ATOM 190 N THR A 12 49.870 56.419 27.228 1.00 0.00 N ATOM 191 CA THR A 12 48.432 56.237 27.239 1.00 0.00 C ATOM 192 C THR A 12 47.915 56.441 25.814 1.00 0.00 C ATOM 193 O THR A 12 48.330 57.369 25.123 1.00 0.00 O ATOM 194 CB THR A 12 47.743 57.180 28.221 1.00 0.00 C ATOM 195 OG1 THR A 12 48.278 56.996 29.512 1.00 0.00 O ATOM 196 CG2 THR A 12 46.244 56.930 28.351 1.00 0.00 C ATOM 0 H THR A 12 50.143 57.373 26.990 1.00 0.00 H new ATOM 0 HA THR A 12 48.199 55.228 27.579 1.00 0.00 H new ATOM 0 HB THR A 12 47.910 58.183 27.828 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.835 57.604 30.140 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.818 57.635 29.065 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.767 57.064 27.380 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.074 55.912 28.701 1.00 0.00 H new ATOM 204 N ILE A 13 47.047 55.541 25.360 1.00 0.00 N ATOM 205 CA ILE A 13 46.511 55.494 24.015 1.00 0.00 C ATOM 206 C ILE A 13 44.994 55.332 24.125 1.00 0.00 C ATOM 207 O ILE A 13 44.530 54.466 24.862 1.00 0.00 O ATOM 208 CB ILE A 13 47.137 54.337 23.241 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.659 54.415 23.177 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.561 54.255 21.831 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.346 53.160 22.647 1.00 0.00 C ATOM 0 H ILE A 13 46.686 54.793 25.952 1.00 0.00 H new ATOM 0 HA ILE A 13 46.744 56.410 23.472 1.00 0.00 H new ATOM 0 HB ILE A 13 46.885 53.431 23.792 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.939 55.258 22.546 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.040 54.625 24.177 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.021 53.423 21.298 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.484 54.098 21.887 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.766 55.185 21.300 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.425 53.312 22.639 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.103 52.314 23.289 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.001 52.957 21.633 1.00 0.00 H new ATOM 223 N THR A 14 44.211 56.092 23.363 1.00 0.00 N ATOM 224 CA THR A 14 42.792 55.856 23.202 1.00 0.00 C ATOM 225 C THR A 14 42.543 55.138 21.874 1.00 0.00 C ATOM 226 O THR A 14 43.070 55.567 20.850 1.00 0.00 O ATOM 227 CB THR A 14 41.990 57.153 23.270 1.00 0.00 C ATOM 228 OG1 THR A 14 42.259 57.808 24.489 1.00 0.00 O ATOM 229 CG2 THR A 14 40.480 56.933 23.238 1.00 0.00 C ATOM 0 H THR A 14 44.555 56.896 22.837 1.00 0.00 H new ATOM 0 HA THR A 14 42.454 55.227 24.026 1.00 0.00 H new ATOM 0 HB THR A 14 42.289 57.732 22.396 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.009 57.225 25.236 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.971 57.895 23.290 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.206 56.426 22.313 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.184 56.320 24.089 1.00 0.00 H new ATOM 237 N LEU A 15 41.752 54.069 21.884 1.00 0.00 N ATOM 238 CA LEU A 15 41.316 53.365 20.695 1.00 0.00 C ATOM 239 C LEU A 15 39.791 53.372 20.576 1.00 0.00 C ATOM 240 O LEU A 15 39.067 53.395 21.570 1.00 0.00 O ATOM 241 CB LEU A 15 41.848 51.935 20.668 1.00 0.00 C ATOM 242 CG LEU A 15 43.361 51.747 20.726 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.685 50.256 20.666 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.102 52.410 19.568 1.00 0.00 C ATOM 0 H LEU A 15 41.390 53.662 22.746 1.00 0.00 H new ATOM 0 HA LEU A 15 41.728 53.894 19.836 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.409 51.397 21.508 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.484 51.457 19.758 1.00 0.00 H new ATOM 0 HG LEU A 15 43.688 52.213 21.656 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.765 50.116 20.707 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.221 49.749 21.512 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.300 49.837 19.736 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.173 52.236 19.674 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.757 51.986 18.625 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.906 53.482 19.577 1.00 0.00 H new ATOM 256 N GLU A 16 39.313 53.284 19.338 1.00 0.00 N ATOM 257 CA GLU A 16 37.917 53.139 18.976 1.00 0.00 C ATOM 258 C GLU A 16 37.722 51.783 18.295 1.00 0.00 C ATOM 259 O GLU A 16 38.210 51.550 17.190 1.00 0.00 O ATOM 260 CB GLU A 16 37.518 54.326 18.104 1.00 0.00 C ATOM 261 CG GLU A 16 36.025 54.425 17.806 1.00 0.00 C ATOM 262 CD GLU A 16 35.201 54.904 19.003 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.332 56.078 19.411 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.343 54.133 19.486 1.00 0.00 O ATOM 0 H GLU A 16 39.925 53.314 18.523 1.00 0.00 H new ATOM 0 HA GLU A 16 37.264 53.149 19.848 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.838 55.245 18.596 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.060 54.264 17.160 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.872 55.109 16.971 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.659 53.449 17.489 1.00 0.00 H new ATOM 271 N VAL A 17 37.054 50.855 18.973 1.00 0.00 N ATOM 272 CA VAL A 17 36.908 49.466 18.586 1.00 0.00 C ATOM 273 C VAL A 17 35.447 49.011 18.564 1.00 0.00 C ATOM 274 O VAL A 17 34.562 49.719 19.041 1.00 0.00 O ATOM 275 CB VAL A 17 37.747 48.555 19.479 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.236 48.879 19.406 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.316 48.584 20.943 1.00 0.00 C ATOM 0 H VAL A 17 36.578 51.067 19.850 1.00 0.00 H new ATOM 0 HA VAL A 17 37.279 49.387 17.564 1.00 0.00 H new ATOM 0 HB VAL A 17 37.573 47.554 19.084 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.788 48.203 20.059 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.585 48.758 18.380 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.401 49.908 19.726 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.952 47.915 21.523 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.409 49.599 21.330 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.279 48.258 21.023 1.00 0.00 H new ATOM 287 N GLU A 18 35.181 47.827 18.021 1.00 0.00 N ATOM 288 CA GLU A 18 33.875 47.201 18.010 1.00 0.00 C ATOM 289 C GLU A 18 33.925 45.813 18.654 1.00 0.00 C ATOM 290 O GLU A 18 34.824 45.049 18.312 1.00 0.00 O ATOM 291 CB GLU A 18 33.323 47.130 16.589 1.00 0.00 C ATOM 292 CG GLU A 18 33.116 48.518 15.989 1.00 0.00 C ATOM 293 CD GLU A 18 32.454 48.441 14.612 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.211 48.540 14.532 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.171 48.315 13.596 1.00 0.00 O ATOM 0 H GLU A 18 35.897 47.263 17.563 1.00 0.00 H new ATOM 0 HA GLU A 18 33.199 47.816 18.604 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.009 46.562 15.961 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.375 46.592 16.594 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.498 49.116 16.658 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.077 49.026 15.904 1.00 0.00 H new ATOM 302 N PRO A 19 33.001 45.432 19.532 1.00 0.00 N ATOM 303 CA PRO A 19 33.017 44.169 20.239 1.00 0.00 C ATOM 304 C PRO A 19 33.137 42.894 19.400 1.00 0.00 C ATOM 305 O PRO A 19 33.610 41.880 19.906 1.00 0.00 O ATOM 306 CB PRO A 19 31.716 44.127 21.036 1.00 0.00 C ATOM 307 CG PRO A 19 31.455 45.597 21.353 1.00 0.00 C ATOM 308 CD PRO A 19 31.991 46.298 20.108 1.00 0.00 C ATOM 0 HA PRO A 19 33.929 44.155 20.836 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.903 43.689 20.457 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.818 43.531 21.943 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.395 45.798 21.508 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.975 45.917 22.256 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.188 46.482 19.394 1.00 0.00 H new ATOM 0 HD3 PRO A 19 32.417 47.268 20.365 1.00 0.00 H new ATOM 316 N SER A 20 32.701 42.913 18.143 1.00 0.00 N ATOM 317 CA SER A 20 32.828 41.804 17.218 1.00 0.00 C ATOM 318 C SER A 20 34.203 41.676 16.561 1.00 0.00 C ATOM 319 O SER A 20 34.432 40.721 15.822 1.00 0.00 O ATOM 320 CB SER A 20 31.719 41.866 16.173 1.00 0.00 C ATOM 321 OG SER A 20 31.697 43.090 15.472 1.00 0.00 O ATOM 0 H SER A 20 32.238 43.725 17.734 1.00 0.00 H new ATOM 0 HA SER A 20 32.722 40.899 17.816 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.848 41.048 15.464 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.756 41.715 16.662 1.00 0.00 H new ATOM 0 HG SER A 20 30.970 43.077 14.814 1.00 0.00 H new ATOM 327 N ASP A 21 35.132 42.599 16.793 1.00 0.00 N ATOM 328 CA ASP A 21 36.438 42.611 16.166 1.00 0.00 C ATOM 329 C ASP A 21 37.428 41.656 16.837 1.00 0.00 C ATOM 330 O ASP A 21 37.353 41.403 18.037 1.00 0.00 O ATOM 331 CB ASP A 21 36.958 44.043 16.096 1.00 0.00 C ATOM 332 CG ASP A 21 38.028 44.243 15.022 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.062 43.456 14.051 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.781 45.237 15.097 1.00 0.00 O ATOM 0 H ASP A 21 34.988 43.375 17.439 1.00 0.00 H new ATOM 0 HA ASP A 21 36.332 42.233 15.149 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.124 44.716 15.899 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.370 44.321 17.066 1.00 0.00 H new ATOM 339 N THR A 22 38.366 41.115 16.064 1.00 0.00 N ATOM 340 CA THR A 22 39.361 40.178 16.546 1.00 0.00 C ATOM 341 C THR A 22 40.547 40.864 17.227 1.00 0.00 C ATOM 342 O THR A 22 40.959 41.958 16.844 1.00 0.00 O ATOM 343 CB THR A 22 39.867 39.219 15.473 1.00 0.00 C ATOM 344 OG1 THR A 22 40.110 39.853 14.237 1.00 0.00 O ATOM 345 CG2 THR A 22 38.894 38.066 15.245 1.00 0.00 C ATOM 0 H THR A 22 38.452 41.323 15.069 1.00 0.00 H new ATOM 0 HA THR A 22 38.830 39.588 17.293 1.00 0.00 H new ATOM 0 HB THR A 22 40.813 38.836 15.856 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.433 39.193 13.589 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.288 37.404 14.474 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.768 37.508 16.173 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.930 38.461 14.925 1.00 0.00 H new ATOM 353 N ILE A 23 41.173 40.179 18.178 1.00 0.00 N ATOM 354 CA ILE A 23 42.350 40.664 18.871 1.00 0.00 C ATOM 355 C ILE A 23 43.490 40.980 17.901 1.00 0.00 C ATOM 356 O ILE A 23 44.185 41.976 18.089 1.00 0.00 O ATOM 357 CB ILE A 23 42.757 39.661 19.948 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.700 39.469 21.032 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.110 39.974 20.579 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.275 40.719 21.796 1.00 0.00 C ATOM 0 H ILE A 23 40.868 39.257 18.490 1.00 0.00 H new ATOM 0 HA ILE A 23 42.110 41.608 19.360 1.00 0.00 H new ATOM 0 HB ILE A 23 42.849 38.717 19.411 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.814 39.033 20.571 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.076 38.741 21.751 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.341 39.224 21.336 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.882 39.962 19.809 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.076 40.960 21.043 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.521 40.454 22.537 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.141 41.151 22.298 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.859 41.447 21.100 1.00 0.00 H new ATOM 372 N GLU A 24 43.664 40.228 16.818 1.00 0.00 N ATOM 373 CA GLU A 24 44.681 40.524 15.830 1.00 0.00 C ATOM 374 C GLU A 24 44.390 41.772 14.995 1.00 0.00 C ATOM 375 O GLU A 24 45.315 42.423 14.515 1.00 0.00 O ATOM 376 CB GLU A 24 44.904 39.298 14.949 1.00 0.00 C ATOM 377 CG GLU A 24 46.184 39.411 14.126 1.00 0.00 C ATOM 378 CD GLU A 24 46.644 38.064 13.564 1.00 0.00 C ATOM 379 OE1 GLU A 24 47.859 37.916 13.311 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.802 37.162 13.370 1.00 0.00 O ATOM 0 H GLU A 24 43.104 39.402 16.607 1.00 0.00 H new ATOM 0 HA GLU A 24 45.597 40.759 16.372 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.952 38.406 15.574 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.053 39.173 14.280 1.00 0.00 H new ATOM 0 HG2 GLU A 24 46.022 40.107 13.303 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.975 39.830 14.748 1.00 0.00 H new ATOM 387 N ASN A 25 43.126 42.159 14.839 1.00 0.00 N ATOM 388 CA ASN A 25 42.769 43.435 14.250 1.00 0.00 C ATOM 389 C ASN A 25 43.048 44.600 15.203 1.00 0.00 C ATOM 390 O ASN A 25 43.581 45.617 14.765 1.00 0.00 O ATOM 391 CB ASN A 25 41.318 43.402 13.782 1.00 0.00 C ATOM 392 CG ASN A 25 41.081 42.592 12.505 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.978 42.053 11.862 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.815 42.508 12.102 1.00 0.00 N ATOM 0 H ASN A 25 42.325 41.593 15.119 1.00 0.00 H new ATOM 0 HA ASN A 25 43.401 43.605 13.378 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.702 42.987 14.580 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.980 44.425 13.616 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.583 41.993 11.253 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.077 42.959 12.642 1.00 0.00 H new ATOM 401 N VAL A 26 42.810 44.433 16.500 1.00 0.00 N ATOM 402 CA VAL A 26 43.231 45.394 17.500 1.00 0.00 C ATOM 403 C VAL A 26 44.754 45.537 17.528 1.00 0.00 C ATOM 404 O VAL A 26 45.262 46.655 17.562 1.00 0.00 O ATOM 405 CB VAL A 26 42.673 45.053 18.879 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.055 46.096 19.924 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.150 44.969 18.866 1.00 0.00 C ATOM 0 H VAL A 26 42.319 43.625 16.882 1.00 0.00 H new ATOM 0 HA VAL A 26 42.817 46.362 17.217 1.00 0.00 H new ATOM 0 HB VAL A 26 43.107 44.087 19.136 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.637 45.813 20.890 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.141 46.153 20.001 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.661 47.068 19.629 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.791 44.724 19.866 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.735 45.928 18.556 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.834 44.194 18.167 1.00 0.00 H new ATOM 417 N LYS A 27 45.507 44.448 17.407 1.00 0.00 N ATOM 418 CA LYS A 27 46.951 44.485 17.292 1.00 0.00 C ATOM 419 C LYS A 27 47.409 45.169 16.001 1.00 0.00 C ATOM 420 O LYS A 27 48.353 45.954 16.043 1.00 0.00 O ATOM 421 CB LYS A 27 47.543 43.089 17.468 1.00 0.00 C ATOM 422 CG LYS A 27 47.386 42.564 18.892 1.00 0.00 C ATOM 423 CD LYS A 27 47.682 41.077 19.065 1.00 0.00 C ATOM 424 CE LYS A 27 49.143 40.710 18.815 1.00 0.00 C ATOM 425 NZ LYS A 27 49.383 39.263 18.930 1.00 0.00 N ATOM 0 H LYS A 27 45.120 43.504 17.386 1.00 0.00 H new ATOM 0 HA LYS A 27 47.338 45.102 18.103 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.057 42.402 16.775 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.601 43.111 17.207 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.048 43.130 19.547 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.366 42.758 19.225 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.409 40.776 20.076 1.00 0.00 H new ATOM 0 HD3 LYS A 27 47.051 40.508 18.382 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.435 41.046 17.820 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.775 41.239 19.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.401 39.071 18.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.052 38.929 19.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.866 38.765 18.178 1.00 0.00 H new ATOM 439 N ALA A 28 46.723 44.985 14.876 1.00 0.00 N ATOM 440 CA ALA A 28 46.997 45.701 13.646 1.00 0.00 C ATOM 441 C ALA A 28 46.645 47.188 13.703 1.00 0.00 C ATOM 442 O ALA A 28 47.326 48.005 13.087 1.00 0.00 O ATOM 443 CB ALA A 28 46.281 45.002 12.495 1.00 0.00 C ATOM 0 H ALA A 28 45.951 44.323 14.798 1.00 0.00 H new ATOM 0 HA ALA A 28 48.075 45.677 13.487 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.482 45.534 11.565 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.641 43.977 12.411 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.208 44.995 12.685 1.00 0.00 H new ATOM 449 N LYS A 29 45.647 47.579 14.489 1.00 0.00 N ATOM 450 CA LYS A 29 45.322 48.959 14.792 1.00 0.00 C ATOM 451 C LYS A 29 46.404 49.612 15.654 1.00 0.00 C ATOM 452 O LYS A 29 46.820 50.735 15.376 1.00 0.00 O ATOM 453 CB LYS A 29 43.929 48.991 15.411 1.00 0.00 C ATOM 454 CG LYS A 29 43.440 50.372 15.837 1.00 0.00 C ATOM 455 CD LYS A 29 41.987 50.325 16.297 1.00 0.00 C ATOM 456 CE LYS A 29 41.027 50.252 15.113 1.00 0.00 C ATOM 457 NZ LYS A 29 39.692 49.780 15.514 1.00 0.00 N ATOM 0 H LYS A 29 45.022 46.915 14.947 1.00 0.00 H new ATOM 0 HA LYS A 29 45.301 49.561 13.884 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.220 48.577 14.694 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.920 48.335 16.282 1.00 0.00 H new ATOM 0 HG2 LYS A 29 44.068 50.750 16.644 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.538 51.068 15.004 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.837 49.460 16.942 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.764 51.210 16.893 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.941 51.237 14.655 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.436 49.583 14.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.107 49.632 14.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.782 48.884 16.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.242 50.491 16.125 1.00 0.00 H new ATOM 471 N ILE A 30 46.951 48.890 16.628 1.00 0.00 N ATOM 472 CA ILE A 30 48.098 49.312 17.407 1.00 0.00 C ATOM 473 C ILE A 30 49.358 49.403 16.546 1.00 0.00 C ATOM 474 O ILE A 30 50.150 50.324 16.731 1.00 0.00 O ATOM 475 CB ILE A 30 48.254 48.421 18.636 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.092 48.644 19.599 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.575 48.657 19.363 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.959 47.580 20.685 1.00 0.00 C ATOM 0 H ILE A 30 46.596 47.973 16.900 1.00 0.00 H new ATOM 0 HA ILE A 30 47.930 50.325 17.774 1.00 0.00 H new ATOM 0 HB ILE A 30 48.252 47.390 18.284 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.212 49.618 20.074 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.164 48.680 19.028 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.636 47.999 20.229 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.404 48.446 18.688 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.629 49.695 19.692 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.108 47.817 21.324 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.805 46.605 20.222 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.869 47.557 21.285 1.00 0.00 H new ATOM 490 N GLN A 31 49.533 48.537 15.552 1.00 0.00 N ATOM 491 CA GLN A 31 50.600 48.637 14.578 1.00 0.00 C ATOM 492 C GLN A 31 50.492 49.914 13.740 1.00 0.00 C ATOM 493 O GLN A 31 51.504 50.573 13.513 1.00 0.00 O ATOM 494 CB GLN A 31 50.601 47.391 13.697 1.00 0.00 C ATOM 495 CG GLN A 31 51.762 47.346 12.707 1.00 0.00 C ATOM 496 CD GLN A 31 51.765 46.086 11.840 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.764 45.407 11.628 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.915 45.728 11.275 1.00 0.00 N ATOM 0 H GLN A 31 48.923 47.733 15.404 1.00 0.00 H new ATOM 0 HA GLN A 31 51.549 48.698 15.110 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.641 46.506 14.333 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.662 47.345 13.146 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.715 48.223 12.062 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.702 47.404 13.256 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.757 46.279 11.439 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.954 44.902 10.678 1.00 0.00 H new ATOM 507 N ASP A 32 49.292 50.296 13.313 1.00 0.00 N ATOM 508 CA ASP A 32 49.054 51.540 12.611 1.00 0.00 C ATOM 509 C ASP A 32 49.339 52.767 13.479 1.00 0.00 C ATOM 510 O ASP A 32 49.945 53.726 13.007 1.00 0.00 O ATOM 511 CB ASP A 32 47.615 51.543 12.106 1.00 0.00 C ATOM 512 CG ASP A 32 47.299 52.705 11.162 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.240 53.347 11.333 1.00 0.00 O ATOM 514 OD2 ASP A 32 48.059 52.937 10.197 1.00 0.00 O ATOM 0 H ASP A 32 48.449 49.738 13.450 1.00 0.00 H new ATOM 0 HA ASP A 32 49.745 51.604 11.771 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.418 50.603 11.590 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.939 51.586 12.960 1.00 0.00 H new ATOM 519 N LYS A 33 48.949 52.731 14.750 1.00 0.00 N ATOM 520 CA LYS A 33 49.166 53.803 15.702 1.00 0.00 C ATOM 521 C LYS A 33 50.630 53.985 16.104 1.00 0.00 C ATOM 522 O LYS A 33 51.127 55.108 16.038 1.00 0.00 O ATOM 523 CB LYS A 33 48.287 53.598 16.932 1.00 0.00 C ATOM 524 CG LYS A 33 46.793 53.798 16.693 1.00 0.00 C ATOM 525 CD LYS A 33 46.406 55.272 16.617 1.00 0.00 C ATOM 526 CE LYS A 33 44.907 55.427 16.382 1.00 0.00 C ATOM 527 NZ LYS A 33 44.540 56.850 16.295 1.00 0.00 N ATOM 0 H LYS A 33 48.460 51.931 15.152 1.00 0.00 H new ATOM 0 HA LYS A 33 48.883 54.726 15.197 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.448 52.589 17.312 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.611 54.287 17.712 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.507 53.302 15.765 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.233 53.319 17.496 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.687 55.775 17.542 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.957 55.756 15.811 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.623 54.916 15.462 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.355 54.953 17.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.516 56.935 16.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.793 57.329 17.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.052 57.293 15.505 1.00 0.00 H new ATOM 541 N GLU A 34 51.310 52.921 16.521 1.00 0.00 N ATOM 542 CA GLU A 34 52.569 52.960 17.235 1.00 0.00 C ATOM 543 C GLU A 34 53.738 52.263 16.536 1.00 0.00 C ATOM 544 O GLU A 34 54.871 52.338 17.007 1.00 0.00 O ATOM 545 CB GLU A 34 52.367 52.353 18.621 1.00 0.00 C ATOM 546 CG GLU A 34 51.383 53.094 19.523 1.00 0.00 C ATOM 547 CD GLU A 34 51.826 54.521 19.849 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.013 54.742 20.172 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.006 55.462 19.770 1.00 0.00 O ATOM 0 H GLU A 34 50.979 51.970 16.360 1.00 0.00 H new ATOM 0 HA GLU A 34 52.853 54.011 17.285 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.022 51.326 18.502 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.333 52.309 19.124 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.407 53.125 19.038 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.260 52.537 20.452 1.00 0.00 H new ATOM 556 N GLY A 35 53.494 51.572 15.426 1.00 0.00 N ATOM 557 CA GLY A 35 54.515 50.926 14.626 1.00 0.00 C ATOM 558 C GLY A 35 54.901 49.504 15.038 1.00 0.00 C ATOM 559 O GLY A 35 55.623 48.842 14.297 1.00 0.00 O ATOM 0 H GLY A 35 52.553 51.446 15.053 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.174 50.902 13.591 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.412 51.545 14.651 1.00 0.00 H new ATOM 563 N ILE A 36 54.440 49.006 16.183 1.00 0.00 N ATOM 564 CA ILE A 36 54.827 47.720 16.725 1.00 0.00 C ATOM 565 C ILE A 36 54.172 46.595 15.921 1.00 0.00 C ATOM 566 O ILE A 36 52.945 46.574 15.855 1.00 0.00 O ATOM 567 CB ILE A 36 54.464 47.607 18.204 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.891 48.829 19.013 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.069 46.331 18.783 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.518 48.786 20.492 1.00 0.00 C ATOM 0 H ILE A 36 53.770 49.504 16.769 1.00 0.00 H new ATOM 0 HA ILE A 36 55.910 47.629 16.645 1.00 0.00 H new ATOM 0 HB ILE A 36 53.377 47.561 18.274 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.972 48.942 18.930 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.443 49.716 18.566 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.809 46.252 19.839 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.677 45.467 18.247 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.153 46.362 18.678 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.863 49.697 20.981 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.435 48.709 20.592 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.988 47.922 20.961 1.00 0.00 H new ATOM 582 N PRO A 37 54.902 45.638 15.355 1.00 0.00 N ATOM 583 CA PRO A 37 54.297 44.542 14.627 1.00 0.00 C ATOM 584 C PRO A 37 53.548 43.586 15.556 1.00 0.00 C ATOM 585 O PRO A 37 54.032 43.330 16.657 1.00 0.00 O ATOM 586 CB PRO A 37 55.442 43.860 13.883 1.00 0.00 C ATOM 587 CG PRO A 37 56.648 44.129 14.778 1.00 0.00 C ATOM 588 CD PRO A 37 56.346 45.512 15.349 1.00 0.00 C ATOM 0 HA PRO A 37 53.538 44.895 13.929 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.262 42.792 13.759 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.580 44.278 12.886 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.743 43.379 15.564 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.580 44.120 14.213 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.750 45.615 16.356 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.803 46.293 14.741 1.00 0.00 H new ATOM 596 N PRO A 38 52.409 43.021 15.164 1.00 0.00 N ATOM 597 CA PRO A 38 51.588 42.178 16.009 1.00 0.00 C ATOM 598 C PRO A 38 52.289 40.994 16.680 1.00 0.00 C ATOM 599 O PRO A 38 51.939 40.666 17.811 1.00 0.00 O ATOM 600 CB PRO A 38 50.451 41.684 15.119 1.00 0.00 C ATOM 601 CG PRO A 38 50.236 42.861 14.171 1.00 0.00 C ATOM 602 CD PRO A 38 51.659 43.378 13.978 1.00 0.00 C ATOM 0 HA PRO A 38 51.262 42.779 16.858 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.722 40.775 14.582 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.554 41.458 15.695 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.784 42.549 13.229 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.582 43.618 14.603 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.111 42.937 13.090 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.659 44.458 13.833 1.00 0.00 H new ATOM 610 N ASP A 39 53.292 40.383 16.055 1.00 0.00 N ATOM 611 CA ASP A 39 54.036 39.292 16.650 1.00 0.00 C ATOM 612 C ASP A 39 54.863 39.711 17.868 1.00 0.00 C ATOM 613 O ASP A 39 55.199 38.868 18.698 1.00 0.00 O ATOM 614 CB ASP A 39 54.913 38.599 15.611 1.00 0.00 C ATOM 615 CG ASP A 39 55.986 39.502 15.002 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.630 40.323 14.128 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.177 39.341 15.346 1.00 0.00 O ATOM 0 H ASP A 39 53.608 40.636 15.119 1.00 0.00 H new ATOM 0 HA ASP A 39 53.293 38.584 17.016 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.396 37.739 16.074 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.278 38.216 14.812 1.00 0.00 H new ATOM 622 N GLN A 40 55.155 41.001 17.998 1.00 0.00 N ATOM 623 CA GLN A 40 55.852 41.594 19.122 1.00 0.00 C ATOM 624 C GLN A 40 54.935 42.336 20.097 1.00 0.00 C ATOM 625 O GLN A 40 55.429 43.007 21.000 1.00 0.00 O ATOM 626 CB GLN A 40 57.017 42.460 18.653 1.00 0.00 C ATOM 627 CG GLN A 40 58.000 41.687 17.779 1.00 0.00 C ATOM 628 CD GLN A 40 59.411 42.276 17.846 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.715 43.334 17.299 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.340 41.621 18.537 1.00 0.00 N ATOM 0 H GLN A 40 54.899 41.688 17.289 1.00 0.00 H new ATOM 0 HA GLN A 40 56.260 40.763 19.698 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.631 43.313 18.094 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.542 42.859 19.521 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.026 40.645 18.097 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.652 41.696 16.746 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.107 40.741 18.998 1.00 0.00 H new ATOM 0 HE22 GLN A 40 61.285 41.998 18.606 1.00 0.00 H new ATOM 639 N GLN A 41 53.618 42.208 19.960 1.00 0.00 N ATOM 640 CA GLN A 41 52.646 42.713 20.908 1.00 0.00 C ATOM 641 C GLN A 41 52.022 41.568 21.710 1.00 0.00 C ATOM 642 O GLN A 41 51.768 40.498 21.162 1.00 0.00 O ATOM 643 CB GLN A 41 51.521 43.457 20.194 1.00 0.00 C ATOM 644 CG GLN A 41 51.912 44.693 19.387 1.00 0.00 C ATOM 645 CD GLN A 41 50.677 45.275 18.695 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.561 45.225 19.205 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.791 45.812 17.484 1.00 0.00 N ATOM 0 H GLN A 41 53.192 41.736 19.162 1.00 0.00 H new ATOM 0 HA GLN A 41 53.175 43.393 21.576 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.024 42.757 19.522 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.786 43.758 20.941 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.358 45.440 20.043 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.666 44.430 18.645 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.705 45.867 17.035 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.964 46.169 17.004 1.00 0.00 H new ATOM 656 N ARG A 42 51.679 41.817 22.970 1.00 0.00 N ATOM 657 CA ARG A 42 50.745 41.022 23.744 1.00 0.00 C ATOM 658 C ARG A 42 49.747 41.930 24.464 1.00 0.00 C ATOM 659 O ARG A 42 50.146 42.986 24.952 1.00 0.00 O ATOM 660 CB ARG A 42 51.480 40.146 24.754 1.00 0.00 C ATOM 661 CG ARG A 42 52.469 39.144 24.166 1.00 0.00 C ATOM 662 CD ARG A 42 51.803 38.045 23.343 1.00 0.00 C ATOM 663 NE ARG A 42 52.787 37.084 22.847 1.00 0.00 N ATOM 664 CZ ARG A 42 53.467 37.128 21.694 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.346 38.129 20.811 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.311 36.130 21.399 1.00 0.00 N ATOM 0 H ARG A 42 52.059 42.605 23.494 1.00 0.00 H new ATOM 0 HA ARG A 42 50.203 40.372 23.058 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.017 40.794 25.447 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.740 39.598 25.338 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.183 39.676 23.537 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.037 38.687 24.977 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.062 37.528 23.954 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.270 38.489 22.503 1.00 0.00 H new ATOM 0 HE ARG A 42 52.978 36.285 23.451 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.713 38.905 21.003 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.887 38.115 19.947 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.428 35.352 22.048 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.837 36.148 20.525 1.00 0.00 H new ATOM 680 N LEU A 43 48.482 41.527 24.529 1.00 0.00 N ATOM 681 CA LEU A 43 47.416 42.283 25.156 1.00 0.00 C ATOM 682 C LEU A 43 46.808 41.558 26.358 1.00 0.00 C ATOM 683 O LEU A 43 46.685 40.335 26.359 1.00 0.00 O ATOM 684 CB LEU A 43 46.362 42.664 24.120 1.00 0.00 C ATOM 685 CG LEU A 43 46.836 43.496 22.931 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.667 43.782 21.992 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.415 44.843 23.353 1.00 0.00 C ATOM 0 H LEU A 43 48.167 40.641 24.135 1.00 0.00 H new ATOM 0 HA LEU A 43 47.849 43.200 25.556 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.915 41.747 23.736 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.571 43.216 24.627 1.00 0.00 H new ATOM 0 HG LEU A 43 47.613 42.910 22.440 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.016 44.376 21.147 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.254 42.841 21.628 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.895 44.333 22.529 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.737 45.394 22.469 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.654 45.417 23.881 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.269 44.682 24.011 1.00 0.00 H new ATOM 699 N ILE A 44 46.425 42.317 27.380 1.00 0.00 N ATOM 700 CA ILE A 44 45.867 41.837 28.629 1.00 0.00 C ATOM 701 C ILE A 44 44.681 42.715 29.034 1.00 0.00 C ATOM 702 O ILE A 44 44.749 43.940 28.972 1.00 0.00 O ATOM 703 CB ILE A 44 46.926 41.795 29.727 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.144 40.962 29.338 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.333 41.270 31.031 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.328 41.055 30.296 1.00 0.00 C ATOM 0 H ILE A 44 46.501 43.334 27.353 1.00 0.00 H new ATOM 0 HA ILE A 44 45.513 40.816 28.486 1.00 0.00 H new ATOM 0 HB ILE A 44 47.265 42.821 29.869 1.00 0.00 H new ATOM 0 HG12 ILE A 44 47.841 39.918 29.261 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.474 41.272 28.346 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.106 41.249 31.799 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.521 41.923 31.351 1.00 0.00 H new ATOM 0 HG23 ILE A 44 45.948 40.262 30.876 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.141 40.428 29.931 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.667 42.089 30.357 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.023 40.714 31.286 1.00 0.00 H new ATOM 718 N PHE A 45 43.607 42.093 29.512 1.00 0.00 N ATOM 719 CA PHE A 45 42.467 42.749 30.120 1.00 0.00 C ATOM 720 C PHE A 45 42.047 42.004 31.389 1.00 0.00 C ATOM 721 O PHE A 45 41.691 40.831 31.302 1.00 0.00 O ATOM 722 CB PHE A 45 41.315 42.796 29.119 1.00 0.00 C ATOM 723 CG PHE A 45 40.019 43.340 29.671 1.00 0.00 C ATOM 724 CD1 PHE A 45 39.944 44.660 30.131 1.00 0.00 C ATOM 725 CD2 PHE A 45 38.891 42.515 29.751 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.754 45.147 30.682 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.693 43.005 30.286 1.00 0.00 C ATOM 728 CZ PHE A 45 37.626 44.321 30.758 1.00 0.00 C ATOM 0 H PHE A 45 43.509 41.078 29.482 1.00 0.00 H new ATOM 0 HA PHE A 45 42.739 43.768 30.396 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.616 43.407 28.268 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.139 41.789 28.742 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.808 45.305 30.060 1.00 0.00 H new ATOM 0 HD2 PHE A 45 38.945 41.496 29.398 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.705 46.161 31.049 1.00 0.00 H new ATOM 0 HE2 PHE A 45 36.822 42.368 30.334 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.706 44.698 31.180 1.00 0.00 H new ATOM 738 N ALA A 46 42.065 42.649 32.553 1.00 0.00 N ATOM 739 CA ALA A 46 41.612 42.098 33.814 1.00 0.00 C ATOM 740 C ALA A 46 42.124 40.694 34.143 1.00 0.00 C ATOM 741 O ALA A 46 41.374 39.840 34.609 1.00 0.00 O ATOM 742 CB ALA A 46 40.095 42.251 33.883 1.00 0.00 C ATOM 0 H ALA A 46 42.410 43.605 32.640 1.00 0.00 H new ATOM 0 HA ALA A 46 42.069 42.674 34.619 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.731 41.842 34.825 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.833 43.307 33.820 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.637 41.713 33.053 1.00 0.00 H new ATOM 748 N GLY A 47 43.397 40.420 33.873 1.00 0.00 N ATOM 749 CA GLY A 47 44.023 39.126 34.051 1.00 0.00 C ATOM 750 C GLY A 47 43.701 38.055 33.006 1.00 0.00 C ATOM 751 O GLY A 47 44.187 36.932 33.113 1.00 0.00 O ATOM 0 H GLY A 47 44.040 41.124 33.511 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.103 39.270 34.068 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.737 38.742 35.030 1.00 0.00 H new ATOM 755 N LYS A 48 42.907 38.380 31.990 1.00 0.00 N ATOM 756 CA LYS A 48 42.638 37.557 30.828 1.00 0.00 C ATOM 757 C LYS A 48 43.753 37.749 29.798 1.00 0.00 C ATOM 758 O LYS A 48 44.039 38.877 29.403 1.00 0.00 O ATOM 759 CB LYS A 48 41.283 37.899 30.215 1.00 0.00 C ATOM 760 CG LYS A 48 40.117 38.006 31.192 1.00 0.00 C ATOM 761 CD LYS A 48 38.846 38.424 30.459 1.00 0.00 C ATOM 762 CE LYS A 48 37.767 39.054 31.335 1.00 0.00 C ATOM 763 NZ LYS A 48 37.296 38.151 32.397 1.00 0.00 N ATOM 0 H LYS A 48 42.411 39.271 31.959 1.00 0.00 H new ATOM 0 HA LYS A 48 42.608 36.513 31.139 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.375 38.847 29.684 1.00 0.00 H new ATOM 0 HB3 LYS A 48 41.040 37.140 29.472 1.00 0.00 H new ATOM 0 HG2 LYS A 48 39.960 37.048 31.688 1.00 0.00 H new ATOM 0 HG3 LYS A 48 40.352 38.733 31.970 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.114 39.132 29.675 1.00 0.00 H new ATOM 0 HD3 LYS A 48 38.425 37.548 29.966 1.00 0.00 H new ATOM 0 HE2 LYS A 48 38.158 39.966 31.787 1.00 0.00 H new ATOM 0 HE3 LYS A 48 36.922 39.345 30.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 36.565 38.630 32.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 36.896 37.291 31.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.094 37.893 33.012 1.00 0.00 H new ATOM 777 N GLN A 49 44.365 36.659 29.345 1.00 0.00 N ATOM 778 CA GLN A 49 45.382 36.664 28.313 1.00 0.00 C ATOM 779 C GLN A 49 44.705 36.624 26.941 1.00 0.00 C ATOM 780 O GLN A 49 44.033 35.650 26.610 1.00 0.00 O ATOM 781 CB GLN A 49 46.338 35.491 28.516 1.00 0.00 C ATOM 782 CG GLN A 49 47.149 35.613 29.802 1.00 0.00 C ATOM 783 CD GLN A 49 48.104 34.442 30.044 1.00 0.00 C ATOM 784 OE1 GLN A 49 48.097 33.417 29.366 1.00 0.00 O ATOM 785 NE2 GLN A 49 48.988 34.550 31.033 1.00 0.00 N ATOM 0 H GLN A 49 44.157 35.725 29.699 1.00 0.00 H new ATOM 0 HA GLN A 49 45.975 37.577 28.372 1.00 0.00 H new ATOM 0 HB2 GLN A 49 45.768 34.562 28.536 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.018 35.429 27.666 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.724 36.538 29.771 1.00 0.00 H new ATOM 0 HG3 GLN A 49 46.464 35.691 30.646 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.010 35.393 31.607 1.00 0.00 H new ATOM 0 HE22 GLN A 49 49.643 33.790 31.217 1.00 0.00 H new ATOM 794 N LEU A 50 44.840 37.695 26.164 1.00 0.00 N ATOM 795 CA LEU A 50 44.071 37.903 24.953 1.00 0.00 C ATOM 796 C LEU A 50 44.760 37.275 23.739 1.00 0.00 C ATOM 797 O LEU A 50 45.949 37.494 23.521 1.00 0.00 O ATOM 798 CB LEU A 50 43.790 39.390 24.751 1.00 0.00 C ATOM 799 CG LEU A 50 43.234 40.137 25.960 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.896 41.577 25.584 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.961 39.511 26.522 1.00 0.00 C ATOM 0 H LEU A 50 45.497 38.449 26.365 1.00 0.00 H new ATOM 0 HA LEU A 50 43.112 37.397 25.061 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.716 39.876 24.443 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.085 39.497 23.927 1.00 0.00 H new ATOM 0 HG LEU A 50 44.016 40.088 26.718 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.500 42.098 26.456 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.797 42.083 25.237 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.149 41.580 24.790 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.618 40.090 27.379 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.188 39.508 25.754 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.166 38.487 26.835 1.00 0.00 H new ATOM 813 N GLU A 51 44.019 36.501 22.952 1.00 0.00 N ATOM 814 CA GLU A 51 44.534 35.696 21.863 1.00 0.00 C ATOM 815 C GLU A 51 43.982 36.096 20.493 1.00 0.00 C ATOM 816 O GLU A 51 42.798 36.379 20.329 1.00 0.00 O ATOM 817 CB GLU A 51 44.266 34.219 22.137 1.00 0.00 C ATOM 818 CG GLU A 51 45.097 33.706 23.309 1.00 0.00 C ATOM 819 CD GLU A 51 44.811 32.227 23.581 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.381 31.349 22.898 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.997 31.922 24.479 1.00 0.00 O ATOM 0 H GLU A 51 43.009 36.418 23.064 1.00 0.00 H new ATOM 0 HA GLU A 51 45.608 35.878 21.820 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.207 34.074 22.350 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.494 33.635 21.245 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.157 33.841 23.094 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.875 34.293 24.201 1.00 0.00 H new ATOM 828 N ASP A 52 44.858 36.075 19.492 1.00 0.00 N ATOM 829 CA ASP A 52 44.656 36.588 18.153 1.00 0.00 C ATOM 830 C ASP A 52 43.442 36.013 17.420 1.00 0.00 C ATOM 831 O ASP A 52 42.816 36.728 16.640 1.00 0.00 O ATOM 832 CB ASP A 52 45.928 36.331 17.350 1.00 0.00 C ATOM 833 CG ASP A 52 47.100 37.168 17.869 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.705 36.800 18.900 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.418 38.217 17.268 1.00 0.00 O ATOM 0 H ASP A 52 45.787 35.671 19.610 1.00 0.00 H new ATOM 0 HA ASP A 52 44.443 37.653 18.248 1.00 0.00 H new ATOM 0 HB2 ASP A 52 46.184 35.273 17.402 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.750 36.565 16.300 1.00 0.00 H new ATOM 840 N GLY A 53 43.098 34.751 17.665 1.00 0.00 N ATOM 841 CA GLY A 53 41.981 34.036 17.084 1.00 0.00 C ATOM 842 C GLY A 53 40.642 34.170 17.813 1.00 0.00 C ATOM 843 O GLY A 53 39.771 33.331 17.595 1.00 0.00 O ATOM 0 H GLY A 53 43.629 34.171 18.315 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.849 34.381 16.058 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.240 32.978 17.034 1.00 0.00 H new ATOM 847 N ARG A 54 40.478 35.151 18.695 1.00 0.00 N ATOM 848 CA ARG A 54 39.253 35.449 19.411 1.00 0.00 C ATOM 849 C ARG A 54 38.845 36.917 19.270 1.00 0.00 C ATOM 850 O ARG A 54 39.607 37.725 18.744 1.00 0.00 O ATOM 851 CB ARG A 54 39.411 35.032 20.870 1.00 0.00 C ATOM 852 CG ARG A 54 39.569 33.533 21.108 1.00 0.00 C ATOM 853 CD ARG A 54 38.332 32.729 20.722 1.00 0.00 C ATOM 854 NE ARG A 54 38.511 31.293 20.938 1.00 0.00 N ATOM 855 CZ ARG A 54 38.936 30.404 20.030 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.368 30.745 18.808 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.937 29.091 20.296 1.00 0.00 N ATOM 0 H ARG A 54 41.236 35.788 18.938 1.00 0.00 H new ATOM 0 HA ARG A 54 38.439 34.875 18.969 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.281 35.542 21.284 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.541 35.382 21.427 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.423 33.169 20.537 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.792 33.361 22.161 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.479 33.078 21.304 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.097 32.910 19.673 1.00 0.00 H new ATOM 0 HE ARG A 54 38.292 30.935 21.868 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.385 31.726 18.528 1.00 0.00 H new ATOM 0 HH12 ARG A 54 39.680 30.024 18.158 1.00 0.00 H new ATOM 0 HH21 ARG A 54 38.611 28.754 21.202 1.00 0.00 H new ATOM 0 HH22 ARG A 54 39.264 28.428 19.593 1.00 0.00 H new ATOM 871 N THR A 55 37.648 37.264 19.732 1.00 0.00 N ATOM 872 CA THR A 55 37.078 38.595 19.648 1.00 0.00 C ATOM 873 C THR A 55 37.049 39.327 20.990 1.00 0.00 C ATOM 874 O THR A 55 37.109 38.697 22.044 1.00 0.00 O ATOM 875 CB THR A 55 35.680 38.600 19.036 1.00 0.00 C ATOM 876 OG1 THR A 55 34.742 37.997 19.899 1.00 0.00 O ATOM 877 CG2 THR A 55 35.599 37.905 17.679 1.00 0.00 C ATOM 0 H THR A 55 37.028 36.597 20.192 1.00 0.00 H new ATOM 0 HA THR A 55 37.752 39.136 18.984 1.00 0.00 H new ATOM 0 HB THR A 55 35.445 39.654 18.888 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.901 37.031 19.931 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.575 37.949 17.308 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.262 38.406 16.974 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.902 36.863 17.785 1.00 0.00 H new ATOM 885 N LEU A 56 36.902 40.648 20.971 1.00 0.00 N ATOM 886 CA LEU A 56 36.750 41.452 22.167 1.00 0.00 C ATOM 887 C LEU A 56 35.566 41.016 23.034 1.00 0.00 C ATOM 888 O LEU A 56 35.689 40.940 24.253 1.00 0.00 O ATOM 889 CB LEU A 56 36.626 42.918 21.765 1.00 0.00 C ATOM 890 CG LEU A 56 37.922 43.554 21.271 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.623 44.898 20.613 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.913 43.800 22.405 1.00 0.00 C ATOM 0 H LEU A 56 36.886 41.193 20.109 1.00 0.00 H new ATOM 0 HA LEU A 56 37.636 41.308 22.785 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.873 43.004 20.981 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.261 43.486 22.621 1.00 0.00 H new ATOM 0 HG LEU A 56 38.364 42.856 20.561 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.553 45.346 20.263 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.951 44.748 19.768 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.151 45.561 21.338 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.819 44.254 22.004 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.466 44.470 23.140 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.162 42.852 22.882 1.00 0.00 H new ATOM 904 N SER A 57 34.455 40.625 22.418 1.00 0.00 N ATOM 905 CA SER A 57 33.304 40.061 23.092 1.00 0.00 C ATOM 906 C SER A 57 33.613 38.792 23.890 1.00 0.00 C ATOM 907 O SER A 57 33.046 38.602 24.963 1.00 0.00 O ATOM 908 CB SER A 57 32.203 39.714 22.094 1.00 0.00 C ATOM 909 OG SER A 57 31.682 40.885 21.504 1.00 0.00 O ATOM 0 H SER A 57 34.333 40.696 21.408 1.00 0.00 H new ATOM 0 HA SER A 57 32.984 40.837 23.788 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.599 39.056 21.321 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.406 39.169 22.599 1.00 0.00 H new ATOM 0 HG SER A 57 32.419 41.445 21.182 1.00 0.00 H new ATOM 915 N ASP A 58 34.525 37.943 23.421 1.00 0.00 N ATOM 916 CA ASP A 58 34.903 36.724 24.106 1.00 0.00 C ATOM 917 C ASP A 58 35.631 36.980 25.428 1.00 0.00 C ATOM 918 O ASP A 58 35.734 36.069 26.247 1.00 0.00 O ATOM 919 CB ASP A 58 35.756 35.839 23.202 1.00 0.00 C ATOM 920 CG ASP A 58 35.018 35.414 21.930 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.920 34.830 22.038 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.542 35.663 20.823 1.00 0.00 O ATOM 0 H ASP A 58 35.024 38.090 22.544 1.00 0.00 H new ATOM 0 HA ASP A 58 33.974 36.209 24.348 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.665 36.374 22.929 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.063 34.951 23.754 1.00 0.00 H new ATOM 927 N TYR A 59 36.093 38.203 25.668 1.00 0.00 N ATOM 928 CA TYR A 59 36.790 38.627 26.867 1.00 0.00 C ATOM 929 C TYR A 59 36.048 39.696 27.671 1.00 0.00 C ATOM 930 O TYR A 59 36.594 40.206 28.647 1.00 0.00 O ATOM 931 CB TYR A 59 38.201 39.062 26.478 1.00 0.00 C ATOM 932 CG TYR A 59 39.034 37.968 25.854 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.556 36.951 26.663 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.333 38.002 24.488 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.399 35.979 26.112 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.183 37.041 23.927 1.00 0.00 C ATOM 937 CZ TYR A 59 40.723 36.025 24.741 1.00 0.00 C ATOM 938 OH TYR A 59 41.572 35.104 24.202 1.00 0.00 O ATOM 0 H TYR A 59 35.983 38.960 24.994 1.00 0.00 H new ATOM 0 HA TYR A 59 36.841 37.778 27.549 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.133 39.895 25.779 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.713 39.432 27.366 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.308 36.917 27.714 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.906 38.773 23.863 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.801 35.195 26.737 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.424 37.078 22.875 1.00 0.00 H new ATOM 0 HH TYR A 59 41.348 34.965 23.258 1.00 0.00 H new ATOM 948 N ASN A 60 34.810 40.022 27.313 1.00 0.00 N ATOM 949 CA ASN A 60 33.933 40.902 28.060 1.00 0.00 C ATOM 950 C ASN A 60 34.471 42.314 28.300 1.00 0.00 C ATOM 951 O ASN A 60 34.231 42.893 29.357 1.00 0.00 O ATOM 952 CB ASN A 60 33.443 40.206 29.327 1.00 0.00 C ATOM 953 CG ASN A 60 32.868 38.809 29.091 1.00 0.00 C ATOM 954 OD1 ASN A 60 33.448 37.799 29.483 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.705 38.714 28.451 1.00 0.00 N ATOM 0 H ASN A 60 34.378 39.664 26.461 1.00 0.00 H new ATOM 0 HA ASN A 60 33.071 41.092 27.420 1.00 0.00 H new ATOM 0 HB2 ASN A 60 34.272 40.132 30.031 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.680 40.826 29.797 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.289 37.798 28.283 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.230 39.557 28.129 1.00 0.00 H new ATOM 962 N ILE A 61 35.178 42.898 27.337 1.00 0.00 N ATOM 963 CA ILE A 61 35.583 44.290 27.378 1.00 0.00 C ATOM 964 C ILE A 61 34.341 45.183 27.427 1.00 0.00 C ATOM 965 O ILE A 61 33.348 44.904 26.760 1.00 0.00 O ATOM 966 CB ILE A 61 36.506 44.632 26.212 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.940 44.150 26.421 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.607 46.132 25.950 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.149 42.641 26.334 1.00 0.00 C ATOM 0 H ILE A 61 35.487 42.407 26.498 1.00 0.00 H new ATOM 0 HA ILE A 61 36.162 44.471 28.284 1.00 0.00 H new ATOM 0 HB ILE A 61 36.043 44.120 25.369 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.577 44.630 25.678 1.00 0.00 H new ATOM 0 HG13 ILE A 61 38.279 44.490 27.400 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.278 46.310 25.109 1.00 0.00 H new ATOM 0 HG22 ILE A 61 35.619 46.528 25.716 1.00 0.00 H new ATOM 0 HG23 ILE A 61 36.997 46.631 26.837 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.202 42.409 26.497 1.00 0.00 H new ATOM 0 HD12 ILE A 61 37.546 42.146 27.095 1.00 0.00 H new ATOM 0 HD13 ILE A 61 37.849 42.288 25.347 1.00 0.00 H new ATOM 981 N GLN A 62 34.389 46.264 28.201 1.00 0.00 N ATOM 982 CA GLN A 62 33.329 47.246 28.319 1.00 0.00 C ATOM 983 C GLN A 62 33.744 48.607 27.757 1.00 0.00 C ATOM 984 O GLN A 62 34.934 48.899 27.655 1.00 0.00 O ATOM 985 CB GLN A 62 32.904 47.369 29.779 1.00 0.00 C ATOM 986 CG GLN A 62 32.386 46.069 30.386 1.00 0.00 C ATOM 987 CD GLN A 62 31.742 46.263 31.759 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.277 47.343 32.119 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.706 45.230 32.595 1.00 0.00 N ATOM 0 H GLN A 62 35.199 46.483 28.782 1.00 0.00 H new ATOM 0 HA GLN A 62 32.482 46.903 27.724 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.753 47.719 30.366 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.127 48.130 29.858 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.657 45.624 29.709 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.211 45.362 30.475 1.00 0.00 H new ATOM 0 HE21 GLN A 62 32.088 44.329 32.309 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.296 45.339 33.523 1.00 0.00 H new ATOM 998 N LYS A 63 32.793 49.490 27.470 1.00 0.00 N ATOM 999 CA LYS A 63 33.082 50.859 27.093 1.00 0.00 C ATOM 1000 C LYS A 63 33.830 51.588 28.211 1.00 0.00 C ATOM 1001 O LYS A 63 33.542 51.368 29.386 1.00 0.00 O ATOM 1002 CB LYS A 63 31.795 51.555 26.657 1.00 0.00 C ATOM 1003 CG LYS A 63 32.047 52.909 25.999 1.00 0.00 C ATOM 1004 CD LYS A 63 30.847 53.463 25.237 1.00 0.00 C ATOM 1005 CE LYS A 63 29.601 53.769 26.063 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.834 54.800 27.087 1.00 0.00 N ATOM 0 H LYS A 63 31.797 49.270 27.494 1.00 0.00 H new ATOM 0 HA LYS A 63 33.755 50.874 26.236 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.258 50.912 25.960 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.150 51.693 27.525 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.339 53.626 26.767 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.889 52.817 25.313 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.156 54.379 24.732 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.575 52.748 24.461 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.802 54.098 25.398 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.258 52.854 26.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.955 54.967 27.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.577 54.479 27.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.135 55.683 26.628 1.00 0.00 H new ATOM 1020 N GLU A 64 34.809 52.417 27.859 1.00 0.00 N ATOM 1021 CA GLU A 64 35.718 53.100 28.755 1.00 0.00 C ATOM 1022 C GLU A 64 36.625 52.199 29.594 1.00 0.00 C ATOM 1023 O GLU A 64 37.194 52.650 30.586 1.00 0.00 O ATOM 1024 CB GLU A 64 35.017 54.175 29.580 1.00 0.00 C ATOM 1025 CG GLU A 64 34.320 55.253 28.755 1.00 0.00 C ATOM 1026 CD GLU A 64 33.765 56.368 29.643 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.554 57.160 30.203 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.533 56.460 29.833 1.00 0.00 O ATOM 0 H GLU A 64 34.994 52.638 26.881 1.00 0.00 H new ATOM 0 HA GLU A 64 36.418 53.605 28.089 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.280 53.697 30.226 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.750 54.651 30.231 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.023 55.675 28.037 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.508 54.806 28.181 1.00 0.00 H new ATOM 1035 N SER A 65 36.795 50.932 29.224 1.00 0.00 N ATOM 1036 CA SER A 65 37.745 50.028 29.840 1.00 0.00 C ATOM 1037 C SER A 65 39.201 50.430 29.597 1.00 0.00 C ATOM 1038 O SER A 65 39.519 51.041 28.579 1.00 0.00 O ATOM 1039 CB SER A 65 37.615 48.597 29.325 1.00 0.00 C ATOM 1040 OG SER A 65 36.359 48.056 29.668 1.00 0.00 O ATOM 0 H SER A 65 36.260 50.502 28.469 1.00 0.00 H new ATOM 0 HA SER A 65 37.502 50.086 30.901 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.739 48.582 28.242 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.409 47.980 29.746 1.00 0.00 H new ATOM 0 HG SER A 65 35.649 48.580 29.241 1.00 0.00 H new ATOM 1046 N THR A 66 40.087 49.992 30.487 1.00 0.00 N ATOM 1047 CA THR A 66 41.524 50.122 30.356 1.00 0.00 C ATOM 1048 C THR A 66 42.175 48.755 30.137 1.00 0.00 C ATOM 1049 O THR A 66 42.034 47.849 30.955 1.00 0.00 O ATOM 1050 CB THR A 66 42.108 50.817 31.584 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.487 52.069 31.773 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.599 51.107 31.434 1.00 0.00 C ATOM 0 H THR A 66 39.808 49.521 31.348 1.00 0.00 H new ATOM 0 HA THR A 66 41.738 50.737 29.482 1.00 0.00 H new ATOM 0 HB THR A 66 41.940 50.139 32.421 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.867 52.506 32.564 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.966 51.601 32.333 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.139 50.171 31.289 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.759 51.756 30.573 1.00 0.00 H new ATOM 1060 N LEU A 67 42.887 48.603 29.023 1.00 0.00 N ATOM 1061 CA LEU A 67 43.627 47.421 28.632 1.00 0.00 C ATOM 1062 C LEU A 67 45.130 47.685 28.738 1.00 0.00 C ATOM 1063 O LEU A 67 45.575 48.830 28.731 1.00 0.00 O ATOM 1064 CB LEU A 67 43.230 47.001 27.220 1.00 0.00 C ATOM 1065 CG LEU A 67 41.867 46.334 27.066 1.00 0.00 C ATOM 1066 CD1 LEU A 67 40.674 47.265 27.262 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.768 45.715 25.675 1.00 0.00 C ATOM 0 H LEU A 67 42.963 49.350 28.333 1.00 0.00 H new ATOM 0 HA LEU A 67 43.384 46.600 29.307 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.251 47.885 26.583 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.989 46.317 26.841 1.00 0.00 H new ATOM 0 HG LEU A 67 41.812 45.588 27.859 1.00 0.00 H new ATOM 0 HD11 LEU A 67 39.749 46.703 27.134 1.00 0.00 H new ATOM 0 HD12 LEU A 67 40.705 47.689 28.266 1.00 0.00 H new ATOM 0 HD13 LEU A 67 40.715 48.069 26.527 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.796 45.236 25.558 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.882 46.494 24.921 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.556 44.972 25.551 1.00 0.00 H new ATOM 1079 N HIS A 68 45.928 46.622 28.798 1.00 0.00 N ATOM 1080 CA HIS A 68 47.369 46.694 28.926 1.00 0.00 C ATOM 1081 C HIS A 68 48.069 46.039 27.732 1.00 0.00 C ATOM 1082 O HIS A 68 47.686 44.950 27.312 1.00 0.00 O ATOM 1083 CB HIS A 68 47.783 46.076 30.258 1.00 0.00 C ATOM 1084 CG HIS A 68 47.239 46.840 31.434 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.815 47.987 31.979 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.079 46.559 32.109 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.991 48.388 32.950 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.946 47.550 33.061 1.00 0.00 N ATOM 0 H HIS A 68 45.575 45.666 28.757 1.00 0.00 H new ATOM 0 HA HIS A 68 47.684 47.738 28.920 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.431 45.045 30.303 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.871 46.045 30.319 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.407 45.732 31.932 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.143 49.265 33.562 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.184 47.632 33.734 1.00 0.00 H new ATOM 1096 N LEU A 69 49.097 46.703 27.212 1.00 0.00 N ATOM 1097 CA LEU A 69 49.928 46.273 26.105 1.00 0.00 C ATOM 1098 C LEU A 69 51.346 45.996 26.610 1.00 0.00 C ATOM 1099 O LEU A 69 51.927 46.799 27.338 1.00 0.00 O ATOM 1100 CB LEU A 69 49.874 47.348 25.023 1.00 0.00 C ATOM 1101 CG LEU A 69 50.932 47.298 23.926 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.864 46.056 23.042 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.773 48.508 23.011 1.00 0.00 C ATOM 0 H LEU A 69 49.385 47.610 27.579 1.00 0.00 H new ATOM 0 HA LEU A 69 49.567 45.342 25.668 1.00 0.00 H new ATOM 0 HB2 LEU A 69 48.894 47.298 24.548 1.00 0.00 H new ATOM 0 HB3 LEU A 69 49.942 48.320 25.511 1.00 0.00 H new ATOM 0 HG LEU A 69 51.889 47.284 24.448 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.651 46.102 22.289 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.999 45.165 23.655 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.893 46.013 22.549 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.529 48.473 22.227 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.781 48.495 22.560 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.895 49.422 23.592 1.00 0.00 H new ATOM 1115 N VAL A 70 51.929 44.871 26.206 1.00 0.00 N ATOM 1116 CA VAL A 70 53.299 44.488 26.477 1.00 0.00 C ATOM 1117 C VAL A 70 54.043 44.362 25.145 1.00 0.00 C ATOM 1118 O VAL A 70 53.528 43.739 24.219 1.00 0.00 O ATOM 1119 CB VAL A 70 53.348 43.195 27.286 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.777 42.817 27.661 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.553 43.300 28.584 1.00 0.00 C ATOM 0 H VAL A 70 51.430 44.173 25.655 1.00 0.00 H new ATOM 0 HA VAL A 70 53.790 45.251 27.081 1.00 0.00 H new ATOM 0 HB VAL A 70 52.911 42.433 26.640 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.769 41.891 28.236 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.366 42.676 26.755 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.218 43.613 28.261 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.616 42.357 29.127 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.964 44.101 29.199 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.510 43.518 28.355 1.00 0.00 H new