USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.233 K(o=0.69,f=-0.6) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.454 K(o=0.69,f=-0.56) USER MOD Set 2.1: A 55 THR OG1 : rot -65:sc= 1.21 USER MOD Set 2.2: A 57 SER OG : rot -87:sc= 1.15 USER MOD Set 3.1: A 25 ASN : amide:sc= 0.776 K(o=2,f=-6.3!) USER MOD Set 3.2: A 29 LYS NZ :NH3+ 172:sc= 1.27 (180deg=0.532) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.91 (180deg=1.54) USER MOD Single : A 2 GLN : amide:sc= 1.15 K(o=1.1,f=-0.42) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= 1.25 (180deg=1.12) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -90:sc= 0.478 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0042 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 2.41 (180deg=1.99) USER MOD Single : A 31 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.37) 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=-0.84) USER MOD Single : A 41 GLN : amide:sc= 1.04 K(o=1,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 1.11 (180deg=1) USER MOD Single : A 49 GLN : amide:sc= 0.566 K(o=0.57,f=-5.3!) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.72 USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00708) USER MOD Single : A 65 SER OG : rot 108:sc= 1.28 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 32.373 52.146 20.136 1.00 0.00 N ATOM 2 CA MET A 1 32.788 52.242 21.544 1.00 0.00 C ATOM 3 C MET A 1 34.300 52.462 21.626 1.00 0.00 C ATOM 4 O MET A 1 35.023 52.055 20.719 1.00 0.00 O ATOM 5 CB MET A 1 32.360 51.037 22.375 1.00 0.00 C ATOM 6 CG MET A 1 33.039 49.721 22.006 1.00 0.00 C ATOM 7 SD MET A 1 32.550 48.327 23.051 1.00 0.00 S ATOM 8 CE MET A 1 33.789 47.109 22.543 1.00 0.00 C ATOM 0 H1 MET A 1 31.335 52.184 20.077 1.00 0.00 H new ATOM 0 H2 MET A 1 32.780 52.938 19.599 1.00 0.00 H new ATOM 0 H3 MET A 1 32.710 51.247 19.735 1.00 0.00 H new ATOM 0 HA MET A 1 32.275 53.101 21.977 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.561 51.250 23.425 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.282 50.912 22.276 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.808 49.483 20.968 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.119 49.850 22.071 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.634 46.181 23.093 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.694 46.917 21.474 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.786 47.494 22.755 1.00 0.00 H new ATOM 20 N GLN A 2 34.776 53.052 22.719 1.00 0.00 N ATOM 21 CA GLN A 2 36.187 53.239 22.990 1.00 0.00 C ATOM 22 C GLN A 2 36.710 52.302 24.080 1.00 0.00 C ATOM 23 O GLN A 2 36.004 52.012 25.043 1.00 0.00 O ATOM 24 CB GLN A 2 36.514 54.708 23.239 1.00 0.00 C ATOM 25 CG GLN A 2 36.041 55.244 24.588 1.00 0.00 C ATOM 26 CD GLN A 2 36.302 56.740 24.776 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.709 57.473 23.876 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.056 57.270 25.970 1.00 0.00 N ATOM 0 H GLN A 2 34.172 53.420 23.454 1.00 0.00 H new ATOM 0 HA GLN A 2 36.732 52.950 22.091 1.00 0.00 H new ATOM 0 HB2 GLN A 2 37.593 54.844 23.167 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.064 55.306 22.447 1.00 0.00 H new ATOM 0 HG2 GLN A 2 34.973 55.054 24.691 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.541 54.693 25.385 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.718 56.680 26.730 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.205 58.267 26.126 1.00 0.00 H new ATOM 37 N ILE A 3 37.964 51.881 23.944 1.00 0.00 N ATOM 38 CA ILE A 3 38.766 51.286 24.995 1.00 0.00 C ATOM 39 C ILE A 3 40.173 51.889 24.993 1.00 0.00 C ATOM 40 O ILE A 3 40.594 52.492 24.009 1.00 0.00 O ATOM 41 CB ILE A 3 38.805 49.762 24.956 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.676 49.131 23.873 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.414 49.138 24.997 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.265 49.411 22.430 1.00 0.00 C ATOM 0 H ILE A 3 38.465 51.951 23.059 1.00 0.00 H new ATOM 0 HA ILE A 3 38.275 51.530 25.937 1.00 0.00 H new ATOM 0 HB ILE A 3 39.322 49.513 25.882 1.00 0.00 H new ATOM 0 HG12 ILE A 3 40.700 49.478 24.011 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.682 48.052 24.024 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.501 48.052 24.967 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.908 49.436 25.916 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.837 49.480 24.138 1.00 0.00 H new ATOM 0 HD11 ILE A 3 39.957 48.912 21.751 1.00 0.00 H new ATOM 0 HD12 ILE A 3 38.256 49.036 22.260 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.289 50.485 22.247 1.00 0.00 H new ATOM 56 N PHE A 4 40.903 51.715 26.091 1.00 0.00 N ATOM 57 CA PHE A 4 42.211 52.301 26.302 1.00 0.00 C ATOM 58 C PHE A 4 43.291 51.222 26.408 1.00 0.00 C ATOM 59 O PHE A 4 43.137 50.260 27.156 1.00 0.00 O ATOM 60 CB PHE A 4 42.176 53.170 27.557 1.00 0.00 C ATOM 61 CG PHE A 4 41.041 54.164 27.589 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.119 55.336 26.828 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.899 53.909 28.357 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.058 56.250 26.835 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.842 54.827 28.375 1.00 0.00 C ATOM 66 CZ PHE A 4 38.922 55.999 27.614 1.00 0.00 C ATOM 0 H PHE A 4 40.587 51.146 26.876 1.00 0.00 H new ATOM 0 HA PHE A 4 42.464 52.923 25.444 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.103 52.523 28.431 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.119 53.710 27.638 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.999 55.536 26.234 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.833 53.001 28.938 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.116 57.149 26.239 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.966 54.631 28.975 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.108 56.709 27.628 1.00 0.00 H new ATOM 76 N VAL A 5 44.411 51.385 25.708 1.00 0.00 N ATOM 77 CA VAL A 5 45.558 50.504 25.791 1.00 0.00 C ATOM 78 C VAL A 5 46.732 51.254 26.424 1.00 0.00 C ATOM 79 O VAL A 5 47.185 52.254 25.873 1.00 0.00 O ATOM 80 CB VAL A 5 45.914 49.932 24.422 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.089 48.965 24.527 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.752 49.158 23.807 1.00 0.00 C ATOM 0 H VAL A 5 44.543 52.155 25.052 1.00 0.00 H new ATOM 0 HA VAL A 5 45.313 49.653 26.427 1.00 0.00 H new ATOM 0 HB VAL A 5 46.165 50.787 23.794 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.325 48.570 23.539 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.958 49.490 24.925 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.825 48.143 25.193 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.049 48.768 22.833 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.479 48.330 24.461 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.896 49.822 23.686 1.00 0.00 H new ATOM 92 N LYS A 6 47.217 50.789 27.572 1.00 0.00 N ATOM 93 CA LYS A 6 48.348 51.343 28.289 1.00 0.00 C ATOM 94 C LYS A 6 49.654 50.683 27.841 1.00 0.00 C ATOM 95 O LYS A 6 49.822 49.477 27.999 1.00 0.00 O ATOM 96 CB LYS A 6 48.117 51.240 29.794 1.00 0.00 C ATOM 97 CG LYS A 6 49.149 52.035 30.589 1.00 0.00 C ATOM 98 CD LYS A 6 48.886 51.956 32.090 1.00 0.00 C ATOM 99 CE LYS A 6 49.946 52.732 32.867 1.00 0.00 C ATOM 100 NZ LYS A 6 49.786 52.566 34.319 1.00 0.00 N ATOM 0 H LYS A 6 46.811 49.981 28.043 1.00 0.00 H new ATOM 0 HA LYS A 6 48.442 52.402 28.050 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.118 51.604 30.033 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.156 50.193 30.095 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.147 51.654 30.374 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.130 53.077 30.270 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.898 52.359 32.312 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.885 50.914 32.409 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.938 52.392 32.569 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.882 53.790 32.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.523 53.107 34.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.849 52.914 34.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.872 51.559 34.565 1.00 0.00 H new ATOM 168 N LYS A 11 51.863 55.574 28.832 1.00 0.00 N ATOM 169 CA LYS A 11 50.809 56.361 28.224 1.00 0.00 C ATOM 170 C LYS A 11 49.615 55.486 27.838 1.00 0.00 C ATOM 171 O LYS A 11 49.787 54.293 27.598 1.00 0.00 O ATOM 172 CB LYS A 11 51.346 57.145 27.030 1.00 0.00 C ATOM 173 CG LYS A 11 51.865 56.267 25.895 1.00 0.00 C ATOM 174 CD LYS A 11 52.269 57.061 24.655 1.00 0.00 C ATOM 175 CE LYS A 11 52.534 56.084 23.513 1.00 0.00 C ATOM 176 NZ LYS A 11 52.939 56.785 22.285 1.00 0.00 N ATOM 0 HA LYS A 11 50.451 57.081 28.960 1.00 0.00 H new ATOM 0 HB2 LYS A 11 50.555 57.789 26.645 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.151 57.797 27.369 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.724 55.697 26.249 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.095 55.546 25.621 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.479 57.759 24.379 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.161 57.654 24.860 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.315 55.383 23.807 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.636 55.498 23.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.631 56.238 21.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.499 57.727 22.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.974 56.886 22.268 1.00 0.00 H new ATOM 190 N THR A 12 48.424 56.067 27.723 1.00 0.00 N ATOM 191 CA THR A 12 47.281 55.403 27.131 1.00 0.00 C ATOM 192 C THR A 12 47.067 55.822 25.676 1.00 0.00 C ATOM 193 O THR A 12 47.300 56.966 25.292 1.00 0.00 O ATOM 194 CB THR A 12 45.991 55.565 27.931 1.00 0.00 C ATOM 195 OG1 THR A 12 45.791 56.902 28.335 1.00 0.00 O ATOM 196 CG2 THR A 12 45.991 54.681 29.175 1.00 0.00 C ATOM 0 H THR A 12 48.230 57.016 28.041 1.00 0.00 H new ATOM 0 HA THR A 12 47.529 54.342 27.155 1.00 0.00 H new ATOM 0 HB THR A 12 45.181 55.263 27.266 1.00 0.00 H new ATOM 0 HG1 THR A 12 44.956 56.969 28.843 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.058 54.821 29.721 1.00 0.00 H new ATOM 0 HG22 THR A 12 46.085 53.636 28.879 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.830 54.953 29.815 1.00 0.00 H new ATOM 204 N ILE A 13 46.609 54.874 24.863 1.00 0.00 N ATOM 205 CA ILE A 13 46.178 55.052 23.491 1.00 0.00 C ATOM 206 C ILE A 13 44.698 54.666 23.432 1.00 0.00 C ATOM 207 O ILE A 13 44.339 53.546 23.789 1.00 0.00 O ATOM 208 CB ILE A 13 47.038 54.211 22.552 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.489 54.682 22.592 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.502 54.261 21.125 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.471 53.796 21.830 1.00 0.00 C ATOM 0 H ILE A 13 46.526 53.904 25.169 1.00 0.00 H new ATOM 0 HA ILE A 13 46.296 56.085 23.164 1.00 0.00 H new ATOM 0 HB ILE A 13 46.996 53.176 22.893 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.540 55.691 22.184 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.808 54.743 23.633 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.134 53.653 20.477 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.483 53.874 21.105 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.505 55.292 20.771 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.476 54.210 21.915 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.456 52.791 22.251 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.184 53.754 20.779 1.00 0.00 H new ATOM 223 N THR A 14 43.844 55.591 23.006 1.00 0.00 N ATOM 224 CA THR A 14 42.414 55.392 22.880 1.00 0.00 C ATOM 225 C THR A 14 42.073 54.851 21.490 1.00 0.00 C ATOM 226 O THR A 14 42.500 55.437 20.498 1.00 0.00 O ATOM 227 CB THR A 14 41.663 56.696 23.136 1.00 0.00 C ATOM 228 OG1 THR A 14 42.135 57.318 24.309 1.00 0.00 O ATOM 229 CG2 THR A 14 40.167 56.447 23.300 1.00 0.00 C ATOM 0 H THR A 14 44.143 56.527 22.732 1.00 0.00 H new ATOM 0 HA THR A 14 42.103 54.662 23.628 1.00 0.00 H new ATOM 0 HB THR A 14 41.835 57.340 22.273 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.617 57.001 25.078 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.658 57.394 23.481 1.00 0.00 H new ATOM 0 HG22 THR A 14 39.772 55.991 22.392 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.000 55.778 24.144 1.00 0.00 H new ATOM 237 N LEU A 15 41.315 53.761 21.406 1.00 0.00 N ATOM 238 CA LEU A 15 40.947 53.109 20.165 1.00 0.00 C ATOM 239 C LEU A 15 39.431 52.994 20.006 1.00 0.00 C ATOM 240 O LEU A 15 38.735 52.734 20.984 1.00 0.00 O ATOM 241 CB LEU A 15 41.607 51.735 20.086 1.00 0.00 C ATOM 242 CG LEU A 15 43.132 51.717 20.139 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.626 50.273 20.114 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.778 52.460 18.974 1.00 0.00 C ATOM 0 H LEU A 15 40.931 53.297 22.229 1.00 0.00 H new ATOM 0 HA LEU A 15 41.306 53.727 19.342 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.228 51.125 20.906 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.291 51.255 19.160 1.00 0.00 H new ATOM 0 HG LEU A 15 43.417 52.223 21.061 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.715 50.260 20.152 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.227 49.737 20.975 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.289 49.789 19.197 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.863 52.411 19.068 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.474 51.998 18.035 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.459 53.502 18.985 1.00 0.00 H new ATOM 256 N GLU A 16 38.925 53.155 18.786 1.00 0.00 N ATOM 257 CA GLU A 16 37.522 53.097 18.431 1.00 0.00 C ATOM 258 C GLU A 16 37.190 51.814 17.664 1.00 0.00 C ATOM 259 O GLU A 16 37.843 51.483 16.677 1.00 0.00 O ATOM 260 CB GLU A 16 37.169 54.371 17.667 1.00 0.00 C ATOM 261 CG GLU A 16 35.774 54.452 17.053 1.00 0.00 C ATOM 262 CD GLU A 16 34.625 54.451 18.064 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.438 55.458 18.782 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.843 53.476 18.090 1.00 0.00 O ATOM 0 H GLU A 16 39.521 53.339 17.979 1.00 0.00 H new ATOM 0 HA GLU A 16 36.904 53.054 19.328 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.289 55.216 18.345 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.898 54.498 16.867 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.709 55.359 16.452 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.642 53.610 16.374 1.00 0.00 H new ATOM 271 N VAL A 17 36.192 51.079 18.146 1.00 0.00 N ATOM 272 CA VAL A 17 35.839 49.727 17.765 1.00 0.00 C ATOM 273 C VAL A 17 34.350 49.434 17.959 1.00 0.00 C ATOM 274 O VAL A 17 33.638 50.188 18.617 1.00 0.00 O ATOM 275 CB VAL A 17 36.629 48.710 18.585 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.112 48.675 18.227 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.496 48.934 20.088 1.00 0.00 C ATOM 0 H VAL A 17 35.568 51.445 18.865 1.00 0.00 H new ATOM 0 HA VAL A 17 36.081 49.640 16.706 1.00 0.00 H new ATOM 0 HB VAL A 17 36.183 47.750 18.325 1.00 0.00 H new ATOM 0 HG11 VAL A 17 38.618 47.933 18.844 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.226 48.411 17.176 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.553 49.656 18.405 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.078 48.182 20.621 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.867 49.927 20.342 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.448 48.853 20.377 1.00 0.00 H new ATOM 287 N GLU A 18 33.864 48.302 17.456 1.00 0.00 N ATOM 288 CA GLU A 18 32.587 47.705 17.794 1.00 0.00 C ATOM 289 C GLU A 18 32.764 46.368 18.515 1.00 0.00 C ATOM 290 O GLU A 18 33.813 45.745 18.371 1.00 0.00 O ATOM 291 CB GLU A 18 31.734 47.543 16.539 1.00 0.00 C ATOM 292 CG GLU A 18 31.501 48.812 15.724 1.00 0.00 C ATOM 293 CD GLU A 18 30.871 49.964 16.509 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.983 49.733 17.358 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.219 51.134 16.238 1.00 0.00 O ATOM 0 H GLU A 18 34.380 47.754 16.768 1.00 0.00 H new ATOM 0 HA GLU A 18 32.071 48.375 18.482 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.207 46.802 15.895 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.765 47.139 16.831 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.455 49.146 15.315 1.00 0.00 H new ATOM 0 HG3 GLU A 18 30.858 48.572 14.877 1.00 0.00 H new ATOM 302 N PRO A 19 31.793 45.856 19.267 1.00 0.00 N ATOM 303 CA PRO A 19 31.964 44.685 20.104 1.00 0.00 C ATOM 304 C PRO A 19 32.332 43.380 19.397 1.00 0.00 C ATOM 305 O PRO A 19 32.801 42.446 20.044 1.00 0.00 O ATOM 306 CB PRO A 19 30.661 44.516 20.879 1.00 0.00 C ATOM 307 CG PRO A 19 30.075 45.924 20.907 1.00 0.00 C ATOM 308 CD PRO A 19 30.512 46.471 19.552 1.00 0.00 C ATOM 0 HA PRO A 19 32.833 44.871 20.736 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.990 43.812 20.386 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.839 44.136 21.885 1.00 0.00 H new ATOM 0 HG2 PRO A 19 28.990 45.913 21.013 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.470 46.515 21.733 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.782 46.228 18.780 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.598 47.557 19.579 1.00 0.00 H new ATOM 316 N SER A 20 32.110 43.292 18.089 1.00 0.00 N ATOM 317 CA SER A 20 32.451 42.170 17.238 1.00 0.00 C ATOM 318 C SER A 20 33.779 42.327 16.495 1.00 0.00 C ATOM 319 O SER A 20 34.109 41.494 15.653 1.00 0.00 O ATOM 320 CB SER A 20 31.295 41.879 16.285 1.00 0.00 C ATOM 321 OG SER A 20 30.912 43.035 15.575 1.00 0.00 O ATOM 0 H SER A 20 31.662 44.048 17.571 1.00 0.00 H new ATOM 0 HA SER A 20 32.607 41.312 17.892 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.588 41.099 15.582 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.444 41.497 16.849 1.00 0.00 H new ATOM 0 HG SER A 20 30.171 42.818 14.971 1.00 0.00 H new ATOM 327 N ASP A 21 34.563 43.361 16.789 1.00 0.00 N ATOM 328 CA ASP A 21 35.883 43.542 16.220 1.00 0.00 C ATOM 329 C ASP A 21 36.926 42.647 16.891 1.00 0.00 C ATOM 330 O ASP A 21 36.842 42.333 18.076 1.00 0.00 O ATOM 331 CB ASP A 21 36.311 45.007 16.267 1.00 0.00 C ATOM 332 CG ASP A 21 35.456 45.947 15.415 1.00 0.00 C ATOM 333 OD1 ASP A 21 34.660 45.503 14.560 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.631 47.178 15.555 1.00 0.00 O ATOM 0 H ASP A 21 34.291 44.101 17.436 1.00 0.00 H new ATOM 0 HA ASP A 21 35.821 43.240 15.175 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.281 45.348 17.302 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.347 45.080 15.937 1.00 0.00 H new ATOM 339 N THR A 22 37.919 42.221 16.114 1.00 0.00 N ATOM 340 CA THR A 22 38.929 41.270 16.532 1.00 0.00 C ATOM 341 C THR A 22 40.019 41.869 17.423 1.00 0.00 C ATOM 342 O THR A 22 40.394 43.031 17.281 1.00 0.00 O ATOM 343 CB THR A 22 39.571 40.547 15.352 1.00 0.00 C ATOM 344 OG1 THR A 22 40.037 41.447 14.371 1.00 0.00 O ATOM 345 CG2 THR A 22 38.605 39.578 14.678 1.00 0.00 C ATOM 0 H THR A 22 38.041 42.540 15.153 1.00 0.00 H new ATOM 0 HA THR A 22 38.380 40.547 17.136 1.00 0.00 H new ATOM 0 HB THR A 22 40.410 39.994 15.774 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.443 40.945 13.633 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.106 39.086 13.844 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.280 38.828 15.399 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.738 40.126 14.309 1.00 0.00 H new ATOM 353 N ILE A 23 40.628 41.054 18.279 1.00 0.00 N ATOM 354 CA ILE A 23 41.815 41.433 19.016 1.00 0.00 C ATOM 355 C ILE A 23 43.005 41.626 18.073 1.00 0.00 C ATOM 356 O ILE A 23 43.829 42.514 18.281 1.00 0.00 O ATOM 357 CB ILE A 23 42.104 40.439 20.137 1.00 0.00 C ATOM 358 CG1 ILE A 23 40.931 40.188 21.082 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.316 40.902 20.940 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.304 41.424 21.720 1.00 0.00 C ATOM 0 H ILE A 23 40.305 40.107 18.478 1.00 0.00 H new ATOM 0 HA ILE A 23 41.635 42.396 19.494 1.00 0.00 H new ATOM 0 HB ILE A 23 42.300 39.487 19.643 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.155 39.656 20.531 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.269 39.525 21.879 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.517 40.188 21.739 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.184 40.967 20.284 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.114 41.882 21.372 1.00 0.00 H new ATOM 0 HD11 ILE A 23 39.483 41.121 22.369 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.056 41.951 22.307 1.00 0.00 H new ATOM 0 HD13 ILE A 23 39.925 42.084 20.939 1.00 0.00 H new ATOM 372 N GLU A 24 43.047 40.890 16.965 1.00 0.00 N ATOM 373 CA GLU A 24 43.916 41.161 15.838 1.00 0.00 C ATOM 374 C GLU A 24 43.818 42.603 15.339 1.00 0.00 C ATOM 375 O GLU A 24 44.848 43.232 15.108 1.00 0.00 O ATOM 376 CB GLU A 24 43.572 40.163 14.736 1.00 0.00 C ATOM 377 CG GLU A 24 44.365 40.367 13.447 1.00 0.00 C ATOM 378 CD GLU A 24 43.961 39.335 12.392 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.093 39.636 11.545 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.542 38.229 12.381 1.00 0.00 O ATOM 0 H GLU A 24 42.459 40.068 16.829 1.00 0.00 H new ATOM 0 HA GLU A 24 44.953 41.042 16.153 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.751 39.153 15.105 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.508 40.237 14.512 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.192 41.373 13.064 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.432 40.284 13.654 1.00 0.00 H new ATOM 387 N ASN A 25 42.616 43.163 15.224 1.00 0.00 N ATOM 388 CA ASN A 25 42.414 44.546 14.842 1.00 0.00 C ATOM 389 C ASN A 25 42.945 45.535 15.881 1.00 0.00 C ATOM 390 O ASN A 25 43.538 46.544 15.509 1.00 0.00 O ATOM 391 CB ASN A 25 40.935 44.771 14.542 1.00 0.00 C ATOM 392 CG ASN A 25 40.627 46.197 14.079 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.052 47.008 14.802 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.984 46.532 12.843 1.00 0.00 N ATOM 0 H ASN A 25 41.748 42.657 15.397 1.00 0.00 H new ATOM 0 HA ASN A 25 42.997 44.740 13.941 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.615 44.068 13.772 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.351 44.552 15.436 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.781 47.467 12.489 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.461 45.854 12.248 1.00 0.00 H new ATOM 401 N VAL A 26 42.819 45.228 17.169 1.00 0.00 N ATOM 402 CA VAL A 26 43.399 46.024 18.232 1.00 0.00 C ATOM 403 C VAL A 26 44.924 46.073 18.104 1.00 0.00 C ATOM 404 O VAL A 26 45.505 47.155 18.134 1.00 0.00 O ATOM 405 CB VAL A 26 42.979 45.530 19.614 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.598 46.352 20.740 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.464 45.581 19.786 1.00 0.00 C ATOM 0 H VAL A 26 42.306 44.411 17.501 1.00 0.00 H new ATOM 0 HA VAL A 26 43.013 47.038 18.126 1.00 0.00 H new ATOM 0 HB VAL A 26 43.337 44.502 19.676 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.267 45.959 21.701 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.685 46.293 20.678 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.285 47.392 20.646 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.198 45.223 20.781 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.119 46.608 19.666 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.991 44.949 19.034 1.00 0.00 H new ATOM 417 N LYS A 27 45.580 44.938 17.878 1.00 0.00 N ATOM 418 CA LYS A 27 47.018 44.882 17.710 1.00 0.00 C ATOM 419 C LYS A 27 47.497 45.528 16.408 1.00 0.00 C ATOM 420 O LYS A 27 48.538 46.181 16.407 1.00 0.00 O ATOM 421 CB LYS A 27 47.503 43.442 17.847 1.00 0.00 C ATOM 422 CG LYS A 27 47.300 42.909 19.263 1.00 0.00 C ATOM 423 CD LYS A 27 47.921 41.525 19.427 1.00 0.00 C ATOM 424 CE LYS A 27 47.872 41.105 20.893 1.00 0.00 C ATOM 425 NZ LYS A 27 48.510 39.795 21.099 1.00 0.00 N ATOM 0 H LYS A 27 45.121 44.030 17.807 1.00 0.00 H new ATOM 0 HA LYS A 27 47.464 45.478 18.506 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.967 42.809 17.140 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.560 43.388 17.586 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.746 43.598 19.981 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.234 42.861 19.487 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.384 40.801 18.814 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.953 41.536 19.077 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.373 41.855 21.505 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.835 41.063 21.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.285 39.445 22.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.156 39.121 20.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.541 39.891 21.000 1.00 0.00 H new ATOM 439 N ALA A 28 46.719 45.437 15.333 1.00 0.00 N ATOM 440 CA ALA A 28 46.970 46.138 14.090 1.00 0.00 C ATOM 441 C ALA A 28 46.860 47.656 14.239 1.00 0.00 C ATOM 442 O ALA A 28 47.669 48.390 13.676 1.00 0.00 O ATOM 443 CB ALA A 28 46.015 45.599 13.030 1.00 0.00 C ATOM 0 H ALA A 28 45.879 44.859 15.308 1.00 0.00 H new ATOM 0 HA ALA A 28 47.999 45.954 13.782 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.190 46.116 12.086 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.186 44.531 12.896 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.986 45.765 13.349 1.00 0.00 H new ATOM 449 N LYS A 29 45.932 48.148 15.057 1.00 0.00 N ATOM 450 CA LYS A 29 45.804 49.547 15.408 1.00 0.00 C ATOM 451 C LYS A 29 46.960 50.067 16.264 1.00 0.00 C ATOM 452 O LYS A 29 47.304 51.241 16.153 1.00 0.00 O ATOM 453 CB LYS A 29 44.460 49.785 16.089 1.00 0.00 C ATOM 454 CG LYS A 29 43.330 49.855 15.066 1.00 0.00 C ATOM 455 CD LYS A 29 41.946 49.853 15.708 1.00 0.00 C ATOM 456 CE LYS A 29 40.914 50.099 14.611 1.00 0.00 C ATOM 457 NZ LYS A 29 39.543 49.778 15.037 1.00 0.00 N ATOM 0 H LYS A 29 45.229 47.559 15.504 1.00 0.00 H new ATOM 0 HA LYS A 29 45.849 50.118 14.481 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.262 48.983 16.800 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.497 50.714 16.659 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.445 50.758 14.466 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.410 49.008 14.385 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.757 48.900 16.202 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.880 50.627 16.473 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.959 51.144 14.304 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.168 49.499 13.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.871 50.089 14.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.454 48.751 15.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.334 50.267 15.931 1.00 0.00 H new ATOM 471 N ILE A 30 47.606 49.217 17.058 1.00 0.00 N ATOM 472 CA ILE A 30 48.864 49.535 17.700 1.00 0.00 C ATOM 473 C ILE A 30 50.001 49.613 16.678 1.00 0.00 C ATOM 474 O ILE A 30 50.809 50.537 16.759 1.00 0.00 O ATOM 475 CB ILE A 30 49.144 48.576 18.853 1.00 0.00 C ATOM 476 CG1 ILE A 30 48.132 48.697 19.989 1.00 0.00 C ATOM 477 CG2 ILE A 30 50.560 48.698 19.408 1.00 0.00 C ATOM 478 CD1 ILE A 30 48.037 50.046 20.695 1.00 0.00 C ATOM 0 H ILE A 30 47.262 48.281 17.271 1.00 0.00 H new ATOM 0 HA ILE A 30 48.793 50.528 18.143 1.00 0.00 H new ATOM 0 HB ILE A 30 49.042 47.585 18.410 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.147 48.453 19.592 1.00 0.00 H new ATOM 0 HG13 ILE A 30 48.370 47.940 20.736 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.693 47.989 20.225 1.00 0.00 H new ATOM 0 HG22 ILE A 30 51.280 48.482 18.619 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.720 49.711 19.777 1.00 0.00 H new ATOM 0 HD11 ILE A 30 47.282 49.994 21.479 1.00 0.00 H new ATOM 0 HD12 ILE A 30 49.002 50.294 21.137 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.759 50.815 19.974 1.00 0.00 H new ATOM 490 N GLN A 31 50.063 48.741 15.677 1.00 0.00 N ATOM 491 CA GLN A 31 51.080 48.801 14.646 1.00 0.00 C ATOM 492 C GLN A 31 51.051 50.117 13.867 1.00 0.00 C ATOM 493 O GLN A 31 52.104 50.692 13.598 1.00 0.00 O ATOM 494 CB GLN A 31 50.964 47.599 13.712 1.00 0.00 C ATOM 495 CG GLN A 31 52.251 47.392 12.918 1.00 0.00 C ATOM 496 CD GLN A 31 52.189 46.280 11.870 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.148 45.752 11.485 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.333 45.887 11.318 1.00 0.00 N ATOM 0 H GLN A 31 49.404 47.971 15.562 1.00 0.00 H new ATOM 0 HA GLN A 31 52.049 48.763 15.144 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.744 46.703 14.293 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.130 47.747 13.026 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.508 48.327 12.420 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.059 47.170 13.615 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.214 46.306 11.616 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.330 45.166 10.596 1.00 0.00 H new ATOM 507 N ASP A 32 49.860 50.641 13.591 1.00 0.00 N ATOM 508 CA ASP A 32 49.615 51.884 12.887 1.00 0.00 C ATOM 509 C ASP A 32 50.243 53.125 13.524 1.00 0.00 C ATOM 510 O ASP A 32 50.526 54.076 12.798 1.00 0.00 O ATOM 511 CB ASP A 32 48.103 52.022 12.734 1.00 0.00 C ATOM 512 CG ASP A 32 47.600 53.380 12.242 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.705 53.671 11.031 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.012 54.126 13.056 1.00 0.00 O ATOM 0 H ASP A 32 48.995 50.179 13.871 1.00 0.00 H new ATOM 0 HA ASP A 32 50.112 51.831 11.918 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.756 51.256 12.041 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.640 51.813 13.698 1.00 0.00 H new ATOM 519 N LYS A 33 50.492 53.141 14.831 1.00 0.00 N ATOM 520 CA LYS A 33 51.007 54.294 15.538 1.00 0.00 C ATOM 521 C LYS A 33 52.154 54.079 16.528 1.00 0.00 C ATOM 522 O LYS A 33 52.841 55.045 16.851 1.00 0.00 O ATOM 523 CB LYS A 33 49.850 55.093 16.132 1.00 0.00 C ATOM 524 CG LYS A 33 49.034 54.368 17.199 1.00 0.00 C ATOM 525 CD LYS A 33 47.785 55.161 17.572 1.00 0.00 C ATOM 526 CE LYS A 33 48.114 56.393 18.411 1.00 0.00 C ATOM 527 NZ LYS A 33 46.971 57.317 18.484 1.00 0.00 N ATOM 0 H LYS A 33 50.336 52.333 15.434 1.00 0.00 H new ATOM 0 HA LYS A 33 51.518 54.874 14.770 1.00 0.00 H new ATOM 0 HB2 LYS A 33 50.249 56.011 16.565 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.180 55.386 15.324 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.746 53.382 16.833 1.00 0.00 H new ATOM 0 HG3 LYS A 33 49.648 54.212 18.086 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.268 55.470 16.664 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.101 54.518 18.126 1.00 0.00 H new ATOM 0 HE2 LYS A 33 48.398 56.084 19.417 1.00 0.00 H new ATOM 0 HE3 LYS A 33 48.973 56.908 17.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 47.229 58.143 19.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.716 57.630 17.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 46.159 56.832 18.917 1.00 0.00 H new ATOM 541 N GLU A 34 52.416 52.853 16.971 1.00 0.00 N ATOM 542 CA GLU A 34 53.560 52.505 17.790 1.00 0.00 C ATOM 543 C GLU A 34 54.609 51.679 17.042 1.00 0.00 C ATOM 544 O GLU A 34 55.763 51.622 17.460 1.00 0.00 O ATOM 545 CB GLU A 34 53.106 51.755 19.038 1.00 0.00 C ATOM 546 CG GLU A 34 52.198 52.541 19.980 1.00 0.00 C ATOM 547 CD GLU A 34 52.908 53.741 20.609 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.828 53.546 21.433 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.557 54.898 20.294 1.00 0.00 O ATOM 0 H GLU A 34 51.817 52.055 16.761 1.00 0.00 H new ATOM 0 HA GLU A 34 54.037 53.444 18.070 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.583 50.850 18.728 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.989 51.438 19.592 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.322 52.887 19.431 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.839 51.880 20.769 1.00 0.00 H new ATOM 556 N GLY A 35 54.240 51.025 15.944 1.00 0.00 N ATOM 557 CA GLY A 35 55.161 50.301 15.091 1.00 0.00 C ATOM 558 C GLY A 35 55.595 48.914 15.569 1.00 0.00 C ATOM 559 O GLY A 35 56.366 48.267 14.863 1.00 0.00 O ATOM 0 H GLY A 35 53.273 50.986 15.621 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.702 50.194 14.108 1.00 0.00 H new ATOM 0 HA3 GLY A 35 56.055 50.911 14.960 1.00 0.00 H new ATOM 563 N ILE A 36 55.096 48.417 16.697 1.00 0.00 N ATOM 564 CA ILE A 36 55.398 47.084 17.177 1.00 0.00 C ATOM 565 C ILE A 36 54.666 46.059 16.308 1.00 0.00 C ATOM 566 O ILE A 36 53.444 46.151 16.215 1.00 0.00 O ATOM 567 CB ILE A 36 55.031 46.894 18.646 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.662 47.960 19.538 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.466 45.504 19.104 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.247 47.859 21.002 1.00 0.00 C ATOM 0 H ILE A 36 54.465 48.938 17.305 1.00 0.00 H new ATOM 0 HA ILE A 36 56.476 46.938 17.103 1.00 0.00 H new ATOM 0 HB ILE A 36 53.949 46.995 18.736 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.747 47.881 19.471 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.390 48.945 19.160 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.204 45.368 20.153 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.961 44.748 18.503 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.544 45.402 18.983 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.735 48.648 21.574 1.00 0.00 H new ATOM 0 HD12 ILE A 36 54.165 47.968 21.082 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.544 46.888 21.398 1.00 0.00 H new ATOM 582 N PRO A 37 55.331 45.073 15.712 1.00 0.00 N ATOM 583 CA PRO A 37 54.663 44.036 14.953 1.00 0.00 C ATOM 584 C PRO A 37 53.666 43.260 15.816 1.00 0.00 C ATOM 585 O PRO A 37 54.046 42.823 16.899 1.00 0.00 O ATOM 586 CB PRO A 37 55.760 43.124 14.411 1.00 0.00 C ATOM 587 CG PRO A 37 57.012 43.996 14.440 1.00 0.00 C ATOM 588 CD PRO A 37 56.767 44.893 15.650 1.00 0.00 C ATOM 0 HA PRO A 37 54.077 44.467 14.141 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.880 42.233 15.028 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.534 42.784 13.400 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.918 43.401 14.554 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.124 44.574 13.523 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.145 44.433 16.563 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.278 45.849 15.540 1.00 0.00 H new ATOM 596 N PRO A 38 52.422 43.052 15.391 1.00 0.00 N ATOM 597 CA PRO A 38 51.409 42.373 16.173 1.00 0.00 C ATOM 598 C PRO A 38 51.809 41.011 16.742 1.00 0.00 C ATOM 599 O PRO A 38 51.439 40.693 17.870 1.00 0.00 O ATOM 600 CB PRO A 38 50.205 42.248 15.242 1.00 0.00 C ATOM 601 CG PRO A 38 50.302 43.543 14.440 1.00 0.00 C ATOM 602 CD PRO A 38 51.808 43.672 14.235 1.00 0.00 C ATOM 0 HA PRO A 38 51.210 42.956 17.072 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.269 41.366 14.605 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.267 42.176 15.792 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.765 43.479 13.494 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.889 44.393 14.984 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.120 43.178 13.315 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.102 44.718 14.151 1.00 0.00 H new ATOM 610 N ASP A 39 52.619 40.232 16.030 1.00 0.00 N ATOM 611 CA ASP A 39 53.127 38.957 16.495 1.00 0.00 C ATOM 612 C ASP A 39 54.088 39.055 17.680 1.00 0.00 C ATOM 613 O ASP A 39 54.270 38.055 18.369 1.00 0.00 O ATOM 614 CB ASP A 39 53.745 38.180 15.336 1.00 0.00 C ATOM 615 CG ASP A 39 55.112 38.717 14.908 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.144 38.198 15.389 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.168 39.652 14.081 1.00 0.00 O ATOM 0 H ASP A 39 52.944 40.480 15.095 1.00 0.00 H new ATOM 0 HA ASP A 39 52.267 38.409 16.880 1.00 0.00 H new ATOM 0 HB2 ASP A 39 53.847 37.133 15.623 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.067 38.212 14.483 1.00 0.00 H new ATOM 622 N GLN A 40 54.662 40.222 17.961 1.00 0.00 N ATOM 623 CA GLN A 40 55.498 40.493 19.113 1.00 0.00 C ATOM 624 C GLN A 40 54.716 41.058 20.301 1.00 0.00 C ATOM 625 O GLN A 40 55.233 41.106 21.416 1.00 0.00 O ATOM 626 CB GLN A 40 56.622 41.443 18.710 1.00 0.00 C ATOM 627 CG GLN A 40 57.859 41.302 19.591 1.00 0.00 C ATOM 628 CD GLN A 40 58.894 42.411 19.389 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.685 43.410 18.706 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.061 42.309 20.021 1.00 0.00 N ATOM 0 H GLN A 40 54.548 41.038 17.360 1.00 0.00 H new ATOM 0 HA GLN A 40 55.913 39.542 19.447 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.897 41.254 17.672 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.260 42.470 18.762 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.550 41.293 20.636 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.329 40.339 19.390 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.260 41.490 20.595 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.756 43.050 19.931 1.00 0.00 H new ATOM 639 N GLN A 41 53.476 41.492 20.098 1.00 0.00 N ATOM 640 CA GLN A 41 52.662 42.112 21.124 1.00 0.00 C ATOM 641 C GLN A 41 51.970 41.048 21.979 1.00 0.00 C ATOM 642 O GLN A 41 51.257 40.201 21.447 1.00 0.00 O ATOM 643 CB GLN A 41 51.610 43.034 20.515 1.00 0.00 C ATOM 644 CG GLN A 41 52.108 44.186 19.648 1.00 0.00 C ATOM 645 CD GLN A 41 50.957 44.976 19.022 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.856 45.061 19.561 1.00 0.00 O ATOM 647 NE2 GLN A 41 51.117 45.566 17.841 1.00 0.00 N ATOM 0 H GLN A 41 53.005 41.419 19.196 1.00 0.00 H new ATOM 0 HA GLN A 41 53.326 42.706 21.752 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.936 42.425 19.913 1.00 0.00 H new ATOM 0 HB3 GLN A 41 51.019 43.455 21.328 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.720 44.856 20.252 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.749 43.794 18.859 1.00 0.00 H new ATOM 0 HE21 GLN A 41 52.017 45.516 17.364 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.340 46.068 17.412 1.00 0.00 H new ATOM 656 N ARG A 42 52.085 41.137 23.301 1.00 0.00 N ATOM 657 CA ARG A 42 51.114 40.599 24.232 1.00 0.00 C ATOM 658 C ARG A 42 50.041 41.657 24.500 1.00 0.00 C ATOM 659 O ARG A 42 50.357 42.840 24.606 1.00 0.00 O ATOM 660 CB ARG A 42 51.732 40.233 25.578 1.00 0.00 C ATOM 661 CG ARG A 42 52.938 39.299 25.587 1.00 0.00 C ATOM 662 CD ARG A 42 53.364 39.114 27.040 1.00 0.00 C ATOM 663 NE ARG A 42 54.667 38.466 27.182 1.00 0.00 N ATOM 664 CZ ARG A 42 54.917 37.152 27.262 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.969 36.215 27.121 1.00 0.00 N ATOM 666 NH2 ARG A 42 56.170 36.738 27.497 1.00 0.00 N ATOM 0 H ARG A 42 52.873 41.595 23.758 1.00 0.00 H new ATOM 0 HA ARG A 42 50.704 39.697 23.777 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.024 41.159 26.073 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.953 39.777 26.189 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.683 38.339 25.137 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.753 39.720 24.999 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.395 40.088 27.529 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.612 38.520 27.559 1.00 0.00 H new ATOM 0 HE ARG A 42 55.477 39.084 27.225 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.003 36.490 26.944 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.214 35.227 27.191 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.919 37.420 27.613 1.00 0.00 H new ATOM 0 HH22 ARG A 42 56.374 35.741 27.560 1.00 0.00 H new ATOM 680 N LEU A 43 48.795 41.231 24.689 1.00 0.00 N ATOM 681 CA LEU A 43 47.734 42.052 25.238 1.00 0.00 C ATOM 682 C LEU A 43 47.189 41.393 26.507 1.00 0.00 C ATOM 683 O LEU A 43 46.839 40.215 26.503 1.00 0.00 O ATOM 684 CB LEU A 43 46.672 42.294 24.170 1.00 0.00 C ATOM 685 CG LEU A 43 45.591 43.300 24.558 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.132 44.713 24.762 1.00 0.00 C ATOM 687 CD2 LEU A 43 44.555 43.360 23.440 1.00 0.00 C ATOM 0 H LEU A 43 48.494 40.284 24.458 1.00 0.00 H new ATOM 0 HA LEU A 43 48.109 43.033 25.530 1.00 0.00 H new ATOM 0 HB2 LEU A 43 47.163 42.642 23.261 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.195 41.344 23.930 1.00 0.00 H new ATOM 0 HG LEU A 43 45.167 42.961 25.503 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.314 45.380 25.036 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.877 44.706 25.558 1.00 0.00 H new ATOM 0 HD13 LEU A 43 46.592 45.063 23.838 1.00 0.00 H new ATOM 0 HD21 LEU A 43 43.776 44.075 23.704 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.037 43.673 22.514 1.00 0.00 H new ATOM 0 HD23 LEU A 43 44.111 42.374 23.302 1.00 0.00 H new ATOM 699 N ILE A 44 47.157 42.160 27.593 1.00 0.00 N ATOM 700 CA ILE A 44 46.708 41.752 28.908 1.00 0.00 C ATOM 701 C ILE A 44 45.457 42.545 29.289 1.00 0.00 C ATOM 702 O ILE A 44 45.369 43.747 29.047 1.00 0.00 O ATOM 703 CB ILE A 44 47.842 41.870 29.922 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.878 40.784 29.646 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.359 41.788 31.368 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.139 40.846 30.504 1.00 0.00 C ATOM 0 H ILE A 44 47.461 43.133 27.571 1.00 0.00 H new ATOM 0 HA ILE A 44 46.426 40.699 28.901 1.00 0.00 H new ATOM 0 HB ILE A 44 48.288 42.857 29.803 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.407 39.812 29.792 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.170 40.843 28.597 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.211 41.878 32.042 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.655 42.597 31.563 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.866 40.830 31.533 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.808 40.031 30.227 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.643 41.799 30.342 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.868 40.752 31.556 1.00 0.00 H new ATOM 718 N PHE A 45 44.491 41.865 29.902 1.00 0.00 N ATOM 719 CA PHE A 45 43.278 42.447 30.439 1.00 0.00 C ATOM 720 C PHE A 45 42.884 41.710 31.720 1.00 0.00 C ATOM 721 O PHE A 45 42.979 40.486 31.772 1.00 0.00 O ATOM 722 CB PHE A 45 42.179 42.357 29.384 1.00 0.00 C ATOM 723 CG PHE A 45 40.821 42.856 29.819 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.668 44.168 30.282 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.706 42.014 29.745 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.406 44.637 30.667 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.440 42.483 30.118 1.00 0.00 C ATOM 728 CZ PHE A 45 38.291 43.795 30.582 1.00 0.00 C ATOM 0 H PHE A 45 44.540 40.856 30.040 1.00 0.00 H new ATOM 0 HA PHE A 45 43.434 43.496 30.689 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.492 42.925 28.508 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.082 41.317 29.072 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.526 44.821 30.343 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.822 40.998 29.399 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.293 45.648 31.029 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.580 41.833 30.048 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.317 44.157 30.874 1.00 0.00 H new ATOM 738 N ALA A 46 42.466 42.435 32.754 1.00 0.00 N ATOM 739 CA ALA A 46 42.045 41.901 34.034 1.00 0.00 C ATOM 740 C ALA A 46 42.976 40.828 34.601 1.00 0.00 C ATOM 741 O ALA A 46 42.550 39.746 34.999 1.00 0.00 O ATOM 742 CB ALA A 46 40.576 41.498 33.943 1.00 0.00 C ATOM 0 H ALA A 46 42.411 43.453 32.715 1.00 0.00 H new ATOM 0 HA ALA A 46 42.128 42.686 34.786 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.249 41.095 34.902 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.974 42.371 33.693 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.454 40.740 33.170 1.00 0.00 H new ATOM 748 N GLY A 47 44.277 41.105 34.587 1.00 0.00 N ATOM 749 CA GLY A 47 45.323 40.281 35.159 1.00 0.00 C ATOM 750 C GLY A 47 45.732 39.036 34.368 1.00 0.00 C ATOM 751 O GLY A 47 46.477 38.224 34.912 1.00 0.00 O ATOM 0 H GLY A 47 44.642 41.953 34.154 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.208 40.902 35.296 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.001 39.963 36.150 1.00 0.00 H new ATOM 755 N LYS A 48 45.277 38.865 33.130 1.00 0.00 N ATOM 756 CA LYS A 48 45.526 37.700 32.304 1.00 0.00 C ATOM 757 C LYS A 48 45.777 38.048 30.836 1.00 0.00 C ATOM 758 O LYS A 48 45.329 39.087 30.355 1.00 0.00 O ATOM 759 CB LYS A 48 44.387 36.701 32.488 1.00 0.00 C ATOM 760 CG LYS A 48 43.001 37.252 32.163 1.00 0.00 C ATOM 761 CD LYS A 48 41.864 36.304 32.529 1.00 0.00 C ATOM 762 CE LYS A 48 41.651 36.166 34.034 1.00 0.00 C ATOM 763 NZ LYS A 48 41.080 37.371 34.654 1.00 0.00 N ATOM 0 H LYS A 48 44.702 39.565 32.661 1.00 0.00 H new ATOM 0 HA LYS A 48 46.455 37.236 32.636 1.00 0.00 H new ATOM 0 HB2 LYS A 48 44.576 35.833 31.856 1.00 0.00 H new ATOM 0 HB3 LYS A 48 44.392 36.350 33.520 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.861 38.195 32.692 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.949 37.474 31.097 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.942 36.660 32.070 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.071 35.320 32.107 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.990 35.320 34.224 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.605 35.939 34.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 40.772 37.150 35.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 41.800 38.121 34.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.264 37.695 34.097 1.00 0.00 H new ATOM 777 N GLN A 49 46.514 37.203 30.121 1.00 0.00 N ATOM 778 CA GLN A 49 46.799 37.358 28.708 1.00 0.00 C ATOM 779 C GLN A 49 45.598 36.985 27.835 1.00 0.00 C ATOM 780 O GLN A 49 44.770 36.157 28.207 1.00 0.00 O ATOM 781 CB GLN A 49 48.028 36.546 28.311 1.00 0.00 C ATOM 782 CG GLN A 49 49.335 37.227 28.706 1.00 0.00 C ATOM 783 CD GLN A 49 50.562 36.422 28.272 1.00 0.00 C ATOM 784 OE1 GLN A 49 51.121 36.621 27.195 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.040 35.492 29.093 1.00 0.00 N ATOM 0 H GLN A 49 46.939 36.369 30.526 1.00 0.00 H new ATOM 0 HA GLN A 49 47.009 38.414 28.536 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.978 35.564 28.782 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.019 36.384 27.233 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.376 38.219 28.256 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.358 37.366 29.787 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.584 35.319 29.989 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.863 34.951 28.827 1.00 0.00 H new ATOM 794 N LEU A 50 45.531 37.580 26.647 1.00 0.00 N ATOM 795 CA LEU A 50 44.559 37.312 25.607 1.00 0.00 C ATOM 796 C LEU A 50 45.209 36.641 24.395 1.00 0.00 C ATOM 797 O LEU A 50 46.418 36.732 24.198 1.00 0.00 O ATOM 798 CB LEU A 50 43.876 38.617 25.210 1.00 0.00 C ATOM 799 CG LEU A 50 43.241 39.419 26.344 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.546 40.644 25.758 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.208 38.623 27.136 1.00 0.00 C ATOM 0 H LEU A 50 46.196 38.304 26.375 1.00 0.00 H new ATOM 0 HA LEU A 50 43.812 36.618 25.992 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.610 39.250 24.712 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.102 38.389 24.477 1.00 0.00 H new ATOM 0 HG LEU A 50 44.046 39.693 27.026 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.090 41.222 26.561 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.277 41.262 25.236 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.774 40.324 25.058 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.794 39.249 27.927 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.407 38.303 26.470 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.684 37.748 27.578 1.00 0.00 H new ATOM 813 N GLU A 51 44.415 35.974 23.562 1.00 0.00 N ATOM 814 CA GLU A 51 44.791 35.470 22.256 1.00 0.00 C ATOM 815 C GLU A 51 44.235 36.358 21.142 1.00 0.00 C ATOM 816 O GLU A 51 43.470 37.286 21.399 1.00 0.00 O ATOM 817 CB GLU A 51 44.384 34.006 22.121 1.00 0.00 C ATOM 818 CG GLU A 51 45.120 33.126 23.128 1.00 0.00 C ATOM 819 CD GLU A 51 44.776 31.645 22.967 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.712 31.202 23.450 1.00 0.00 O ATOM 821 OE2 GLU A 51 45.604 30.885 22.419 1.00 0.00 O ATOM 0 H GLU A 51 43.445 35.763 23.797 1.00 0.00 H new ATOM 0 HA GLU A 51 45.876 35.508 22.154 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.309 33.911 22.271 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.597 33.660 21.110 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.195 33.262 23.008 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.869 33.447 24.139 1.00 0.00 H new ATOM 828 N ASP A 52 44.667 36.160 19.900 1.00 0.00 N ATOM 829 CA ASP A 52 44.443 37.090 18.812 1.00 0.00 C ATOM 830 C ASP A 52 43.212 36.754 17.966 1.00 0.00 C ATOM 831 O ASP A 52 42.533 37.664 17.495 1.00 0.00 O ATOM 832 CB ASP A 52 45.688 37.183 17.934 1.00 0.00 C ATOM 833 CG ASP A 52 46.904 37.857 18.574 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.779 38.353 17.831 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.052 37.872 19.815 1.00 0.00 O ATOM 0 H ASP A 52 45.192 35.331 19.622 1.00 0.00 H new ATOM 0 HA ASP A 52 44.242 38.059 19.268 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.972 36.175 17.631 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.430 37.728 17.026 1.00 0.00 H new ATOM 840 N GLY A 53 42.869 35.478 17.822 1.00 0.00 N ATOM 841 CA GLY A 53 41.778 34.986 17.004 1.00 0.00 C ATOM 842 C GLY A 53 40.378 35.145 17.601 1.00 0.00 C ATOM 843 O GLY A 53 39.505 34.324 17.326 1.00 0.00 O ATOM 0 H GLY A 53 43.371 34.728 18.297 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.805 35.503 16.045 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.949 33.929 16.801 1.00 0.00 H new ATOM 847 N ARG A 54 40.159 36.134 18.463 1.00 0.00 N ATOM 848 CA ARG A 54 38.929 36.372 19.189 1.00 0.00 C ATOM 849 C ARG A 54 38.431 37.798 18.948 1.00 0.00 C ATOM 850 O ARG A 54 39.157 38.626 18.402 1.00 0.00 O ATOM 851 CB ARG A 54 39.130 36.110 20.678 1.00 0.00 C ATOM 852 CG ARG A 54 39.805 34.793 21.048 1.00 0.00 C ATOM 853 CD ARG A 54 39.032 33.539 20.647 1.00 0.00 C ATOM 854 NE ARG A 54 39.879 32.356 20.804 1.00 0.00 N ATOM 855 CZ ARG A 54 40.478 31.644 19.842 1.00 0.00 C ATOM 856 NH1 ARG A 54 40.296 31.862 18.532 1.00 0.00 N ATOM 857 NH2 ARG A 54 41.326 30.655 20.158 1.00 0.00 N ATOM 0 H ARG A 54 40.878 36.824 18.681 1.00 0.00 H new ATOM 0 HA ARG A 54 38.170 35.682 18.822 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.722 36.926 21.092 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.156 36.144 21.166 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.788 34.761 20.579 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.965 34.774 22.126 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.138 33.441 21.263 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.699 33.623 19.613 1.00 0.00 H new ATOM 0 HE ARG A 54 40.031 32.036 21.761 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.671 32.606 18.221 1.00 0.00 H new ATOM 0 HH12 ARG A 54 40.782 31.284 17.846 1.00 0.00 H new ATOM 0 HH21 ARG A 54 41.518 30.441 21.137 1.00 0.00 H new ATOM 0 HH22 ARG A 54 41.779 30.116 19.420 1.00 0.00 H new ATOM 871 N THR A 55 37.212 38.102 19.387 1.00 0.00 N ATOM 872 CA THR A 55 36.606 39.417 19.351 1.00 0.00 C ATOM 873 C THR A 55 36.376 39.972 20.758 1.00 0.00 C ATOM 874 O THR A 55 36.332 39.221 21.730 1.00 0.00 O ATOM 875 CB THR A 55 35.330 39.464 18.516 1.00 0.00 C ATOM 876 OG1 THR A 55 34.278 38.714 19.081 1.00 0.00 O ATOM 877 CG2 THR A 55 35.537 38.967 17.089 1.00 0.00 C ATOM 0 H THR A 55 36.596 37.399 19.796 1.00 0.00 H new ATOM 0 HA THR A 55 37.324 40.066 18.849 1.00 0.00 H new ATOM 0 HB THR A 55 35.061 40.520 18.501 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.520 37.764 19.088 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.595 39.024 16.544 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.282 39.588 16.592 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.882 37.933 17.110 1.00 0.00 H new ATOM 885 N LEU A 56 36.246 41.291 20.876 1.00 0.00 N ATOM 886 CA LEU A 56 36.167 41.993 22.140 1.00 0.00 C ATOM 887 C LEU A 56 35.082 41.457 23.074 1.00 0.00 C ATOM 888 O LEU A 56 35.328 41.246 24.259 1.00 0.00 O ATOM 889 CB LEU A 56 35.947 43.474 21.845 1.00 0.00 C ATOM 890 CG LEU A 56 37.150 44.160 21.205 1.00 0.00 C ATOM 891 CD1 LEU A 56 36.704 45.441 20.505 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.208 44.538 22.237 1.00 0.00 C ATOM 0 H LEU A 56 36.192 41.912 20.069 1.00 0.00 H new ATOM 0 HA LEU A 56 37.104 41.835 22.674 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.087 43.579 21.184 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.700 43.987 22.774 1.00 0.00 H new ATOM 0 HG LEU A 56 37.580 43.452 20.497 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.567 45.926 20.050 1.00 0.00 H new ATOM 0 HD12 LEU A 56 35.975 45.198 19.732 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.251 46.114 21.233 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.046 45.024 21.738 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.776 45.222 22.968 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.559 43.639 22.744 1.00 0.00 H new ATOM 904 N SER A 57 33.900 41.167 22.537 1.00 0.00 N ATOM 905 CA SER A 57 32.791 40.576 23.258 1.00 0.00 C ATOM 906 C SER A 57 33.027 39.141 23.734 1.00 0.00 C ATOM 907 O SER A 57 32.488 38.766 24.773 1.00 0.00 O ATOM 908 CB SER A 57 31.519 40.650 22.417 1.00 0.00 C ATOM 909 OG SER A 57 31.737 40.151 21.117 1.00 0.00 O ATOM 0 H SER A 57 33.687 41.345 21.555 1.00 0.00 H new ATOM 0 HA SER A 57 32.684 41.169 24.166 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.727 40.079 22.900 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.177 41.683 22.360 1.00 0.00 H new ATOM 0 HG SER A 57 32.069 40.871 20.541 1.00 0.00 H new ATOM 915 N ASP A 58 33.861 38.346 23.072 1.00 0.00 N ATOM 916 CA ASP A 58 34.195 37.007 23.514 1.00 0.00 C ATOM 917 C ASP A 58 34.964 37.013 24.837 1.00 0.00 C ATOM 918 O ASP A 58 34.809 36.112 25.659 1.00 0.00 O ATOM 919 CB ASP A 58 35.023 36.264 22.469 1.00 0.00 C ATOM 920 CG ASP A 58 34.405 36.212 21.070 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.187 35.964 20.933 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.143 36.416 20.081 1.00 0.00 O ATOM 0 H ASP A 58 34.326 38.620 22.206 1.00 0.00 H new ATOM 0 HA ASP A 58 33.245 36.493 23.660 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.002 36.738 22.400 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.186 35.244 22.816 1.00 0.00 H new ATOM 927 N TYR A 59 35.752 38.058 25.075 1.00 0.00 N ATOM 928 CA TYR A 59 36.482 38.289 26.304 1.00 0.00 C ATOM 929 C TYR A 59 35.754 39.191 27.304 1.00 0.00 C ATOM 930 O TYR A 59 36.345 39.561 28.316 1.00 0.00 O ATOM 931 CB TYR A 59 37.883 38.798 25.977 1.00 0.00 C ATOM 932 CG TYR A 59 38.846 37.756 25.462 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.113 36.621 26.238 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.548 37.967 24.269 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.065 35.684 25.820 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.526 37.054 23.857 1.00 0.00 C ATOM 937 CZ TYR A 59 40.784 35.904 24.629 1.00 0.00 C ATOM 938 OH TYR A 59 41.749 35.024 24.235 1.00 0.00 O ATOM 0 H TYR A 59 35.901 38.793 24.384 1.00 0.00 H new ATOM 0 HA TYR A 59 36.559 37.331 26.818 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.799 39.590 25.233 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.307 39.248 26.875 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.581 36.468 27.165 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.334 38.836 23.665 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.247 34.797 26.408 1.00 0.00 H new ATOM 0 HE2 TYR A 59 41.082 37.231 22.948 1.00 0.00 H new ATOM 0 HH TYR A 59 41.329 34.248 23.808 1.00 0.00 H new ATOM 948 N ASN A 60 34.490 39.536 27.073 1.00 0.00 N ATOM 949 CA ASN A 60 33.737 40.471 27.884 1.00 0.00 C ATOM 950 C ASN A 60 34.441 41.818 28.053 1.00 0.00 C ATOM 951 O ASN A 60 34.367 42.440 29.110 1.00 0.00 O ATOM 952 CB ASN A 60 33.314 39.785 29.181 1.00 0.00 C ATOM 953 CG ASN A 60 32.343 40.569 30.065 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.612 41.464 29.647 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.292 40.224 31.349 1.00 0.00 N ATOM 0 H ASN A 60 33.952 39.159 26.293 1.00 0.00 H new ATOM 0 HA ASN A 60 32.821 40.750 27.363 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.856 38.828 28.931 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.210 39.567 29.763 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.649 40.702 31.980 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.896 39.482 31.702 1.00 0.00 H new ATOM 962 N ILE A 61 35.149 42.292 27.031 1.00 0.00 N ATOM 963 CA ILE A 61 35.784 43.595 27.039 1.00 0.00 C ATOM 964 C ILE A 61 34.704 44.635 26.733 1.00 0.00 C ATOM 965 O ILE A 61 34.251 44.774 25.599 1.00 0.00 O ATOM 966 CB ILE A 61 36.972 43.656 26.083 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.063 42.669 26.485 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.554 45.066 26.056 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.009 42.312 25.342 1.00 0.00 C ATOM 0 H ILE A 61 35.296 41.771 26.166 1.00 0.00 H new ATOM 0 HA ILE A 61 36.214 43.806 28.018 1.00 0.00 H new ATOM 0 HB ILE A 61 36.610 43.386 25.091 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.641 43.093 27.306 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.598 41.757 26.860 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.401 45.097 25.371 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.791 45.768 25.722 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.887 45.341 27.057 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.760 41.606 25.698 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.442 41.859 24.529 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.502 43.215 24.982 1.00 0.00 H new ATOM 981 N GLN A 62 34.238 45.319 27.774 1.00 0.00 N ATOM 982 CA GLN A 62 33.202 46.329 27.704 1.00 0.00 C ATOM 983 C GLN A 62 33.784 47.698 27.344 1.00 0.00 C ATOM 984 O GLN A 62 34.986 47.924 27.472 1.00 0.00 O ATOM 985 CB GLN A 62 32.456 46.383 29.035 1.00 0.00 C ATOM 986 CG GLN A 62 31.806 45.059 29.425 1.00 0.00 C ATOM 987 CD GLN A 62 31.294 45.036 30.868 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.105 46.063 31.515 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.049 43.858 31.433 1.00 0.00 N ATOM 0 H GLN A 62 34.588 45.175 28.721 1.00 0.00 H new ATOM 0 HA GLN A 62 32.501 46.060 26.913 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.151 46.682 29.820 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.687 47.153 28.980 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.975 44.857 28.749 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.529 44.254 29.291 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.202 42.998 30.906 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.708 43.814 32.393 1.00 0.00 H new ATOM 998 N LYS A 63 32.935 48.643 26.952 1.00 0.00 N ATOM 999 CA LYS A 63 33.337 50.015 26.715 1.00 0.00 C ATOM 1000 C LYS A 63 34.008 50.675 27.922 1.00 0.00 C ATOM 1001 O LYS A 63 33.785 50.298 29.071 1.00 0.00 O ATOM 1002 CB LYS A 63 32.162 50.822 26.171 1.00 0.00 C ATOM 1003 CG LYS A 63 30.977 51.030 27.108 1.00 0.00 C ATOM 1004 CD LYS A 63 29.929 51.857 26.368 1.00 0.00 C ATOM 1005 CE LYS A 63 28.663 52.114 27.182 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.901 50.881 27.430 1.00 0.00 N ATOM 0 H LYS A 63 31.943 48.471 26.790 1.00 0.00 H new ATOM 0 HA LYS A 63 34.116 49.998 25.953 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.533 51.802 25.870 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.799 50.328 25.269 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.559 50.070 27.413 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.295 51.542 28.016 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.368 52.813 26.084 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.659 51.343 25.445 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.932 52.570 28.135 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.032 52.829 26.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.025 51.111 27.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.664 50.431 26.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.474 50.228 28.001 1.00 0.00 H new ATOM 1020 N GLU A 64 34.867 51.650 27.640 1.00 0.00 N ATOM 1021 CA GLU A 64 35.700 52.378 28.576 1.00 0.00 C ATOM 1022 C GLU A 64 36.742 51.555 29.335 1.00 0.00 C ATOM 1023 O GLU A 64 37.445 52.105 30.180 1.00 0.00 O ATOM 1024 CB GLU A 64 34.872 53.252 29.513 1.00 0.00 C ATOM 1025 CG GLU A 64 33.626 53.930 28.948 1.00 0.00 C ATOM 1026 CD GLU A 64 33.881 54.885 27.779 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.711 55.809 27.915 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.161 54.800 26.761 1.00 0.00 O ATOM 0 H GLU A 64 35.005 51.971 26.682 1.00 0.00 H new ATOM 0 HA GLU A 64 36.302 53.023 27.935 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.563 52.636 30.358 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.525 54.030 29.908 1.00 0.00 H new ATOM 0 HG2 GLU A 64 32.928 53.159 28.622 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.137 54.484 29.750 1.00 0.00 H new ATOM 1035 N SER A 65 36.895 50.265 29.047 1.00 0.00 N ATOM 1036 CA SER A 65 37.875 49.398 29.672 1.00 0.00 C ATOM 1037 C SER A 65 39.323 49.779 29.357 1.00 0.00 C ATOM 1038 O SER A 65 39.612 50.365 28.316 1.00 0.00 O ATOM 1039 CB SER A 65 37.678 47.944 29.255 1.00 0.00 C ATOM 1040 OG SER A 65 36.411 47.460 29.642 1.00 0.00 O ATOM 0 H SER A 65 36.322 49.786 28.352 1.00 0.00 H new ATOM 0 HA SER A 65 37.709 49.523 30.742 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.787 47.857 28.174 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.456 47.327 29.704 1.00 0.00 H new ATOM 0 HG SER A 65 35.845 47.355 28.849 1.00 0.00 H new ATOM 1046 N THR A 66 40.243 49.374 30.227 1.00 0.00 N ATOM 1047 CA THR A 66 41.673 49.584 30.107 1.00 0.00 C ATOM 1048 C THR A 66 42.424 48.253 30.056 1.00 0.00 C ATOM 1049 O THR A 66 42.244 47.380 30.902 1.00 0.00 O ATOM 1050 CB THR A 66 42.221 50.465 31.226 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.460 51.647 31.340 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.659 50.906 30.970 1.00 0.00 C ATOM 0 H THR A 66 39.994 48.866 31.075 1.00 0.00 H new ATOM 0 HA THR A 66 41.836 50.110 29.166 1.00 0.00 H new ATOM 0 HB THR A 66 42.173 49.859 32.131 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.822 52.201 32.063 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.001 51.530 31.796 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.300 50.028 30.890 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.705 51.475 30.042 1.00 0.00 H new ATOM 1060 N LEU A 67 43.283 48.119 29.049 1.00 0.00 N ATOM 1061 CA LEU A 67 44.094 46.961 28.729 1.00 0.00 C ATOM 1062 C LEU A 67 45.576 47.338 28.742 1.00 0.00 C ATOM 1063 O LEU A 67 45.918 48.506 28.573 1.00 0.00 O ATOM 1064 CB LEU A 67 43.693 46.394 27.370 1.00 0.00 C ATOM 1065 CG LEU A 67 42.229 45.997 27.208 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.353 47.138 26.700 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.098 44.881 26.176 1.00 0.00 C ATOM 0 H LEU A 67 43.438 48.880 28.388 1.00 0.00 H new ATOM 0 HA LEU A 67 43.926 46.192 29.483 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.933 47.134 26.606 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.309 45.517 27.170 1.00 0.00 H new ATOM 0 HG LEU A 67 41.899 45.693 28.201 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.324 46.792 26.606 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.394 47.969 27.404 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.715 47.469 25.727 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.049 44.606 26.069 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.483 45.226 25.216 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.669 44.013 26.505 1.00 0.00 H new ATOM 1079 N HIS A 68 46.470 46.366 28.896 1.00 0.00 N ATOM 1080 CA HIS A 68 47.901 46.577 28.997 1.00 0.00 C ATOM 1081 C HIS A 68 48.642 45.918 27.832 1.00 0.00 C ATOM 1082 O HIS A 68 48.521 44.718 27.601 1.00 0.00 O ATOM 1083 CB HIS A 68 48.396 46.094 30.358 1.00 0.00 C ATOM 1084 CG HIS A 68 47.831 46.886 31.505 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.636 46.610 32.166 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.385 48.013 32.057 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.471 47.577 33.072 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.506 48.433 33.035 1.00 0.00 N ATOM 0 H HIS A 68 46.206 45.383 28.955 1.00 0.00 H new ATOM 0 HA HIS A 68 48.114 47.644 28.925 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.131 45.044 30.483 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.484 46.153 30.384 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.320 48.478 31.782 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.626 47.659 33.739 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.622 49.254 33.629 1.00 0.00 H new ATOM 1096 N LEU A 69 49.417 46.716 27.102 1.00 0.00 N ATOM 1097 CA LEU A 69 50.304 46.275 26.044 1.00 0.00 C ATOM 1098 C LEU A 69 51.663 45.907 26.644 1.00 0.00 C ATOM 1099 O LEU A 69 52.268 46.721 27.338 1.00 0.00 O ATOM 1100 CB LEU A 69 50.391 47.389 25.004 1.00 0.00 C ATOM 1101 CG LEU A 69 51.448 47.221 23.916 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.184 46.015 23.019 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.458 48.477 23.050 1.00 0.00 C ATOM 0 H LEU A 69 49.441 47.726 27.242 1.00 0.00 H new ATOM 0 HA LEU A 69 49.929 45.380 25.547 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.418 47.484 24.523 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.582 48.328 25.524 1.00 0.00 H new ATOM 0 HG LEU A 69 52.407 47.061 24.410 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.967 45.945 22.264 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.179 45.107 23.622 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.217 46.130 22.529 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.209 48.373 22.267 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.477 48.614 22.596 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.696 49.343 23.668 1.00 0.00 H new ATOM 1115 N VAL A 70 52.126 44.688 26.383 1.00 0.00 N ATOM 1116 CA VAL A 70 53.342 44.115 26.922 1.00 0.00 C ATOM 1117 C VAL A 70 54.085 43.393 25.796 1.00 0.00 C ATOM 1118 O VAL A 70 53.471 43.034 24.793 1.00 0.00 O ATOM 1119 CB VAL A 70 53.005 43.220 28.112 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.224 42.555 28.747 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.333 44.008 29.231 1.00 0.00 C ATOM 0 H VAL A 70 51.635 44.047 25.759 1.00 0.00 H new ATOM 0 HA VAL A 70 54.011 44.886 27.304 1.00 0.00 H new ATOM 0 HB VAL A 70 52.347 42.460 27.691 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.905 41.936 29.585 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.726 41.933 28.006 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.912 43.321 29.103 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.107 43.340 30.062 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.002 44.798 29.572 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.409 44.451 28.860 1.00 0.00 H new